| 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 | 31.9 | Very low | 31.7 | Very low | 230 Ų | 230 | 139.3 Ų | 139.3 | 100% | 1.133 | 74% | 0.742 | S | S | * | * | 0 | 109.8 | 0 | -65.8 | 162.2 | -179.2 | 0 | 0 | 104.5 | |||||
| 2 | V | 30.1 | Very low | 31.3 | Very low | 131 Ų | 131 | 141.9 Ų | 141.9 | 79% | 0.794 | 74% | 0.743 | S | S | * | * | 52.4 | 112.5 | 59.7 | -175 | 0 | 0 | 0 | 0 | 106.8 | |||||
| 3 | D | 31.5 | Very low | 30.9 | Very low | 121 Ų | 121 | 138.8 Ų | 138.8 | 65% | 0.647 | 74% | 0.74 | S | S | * | * | cis | 171.8 | -169.8 | 11.7 | -164.2 | -40.7 | 0 | 0 | 0 | 103.2 | ||||
| 4 | H | 31.3 | Very low | 31.2 | Very low | 143 Ų | 143 | 137.3 Ų | 137.3 | 66% | 0.662 | 75% | 0.746 | S | S | * | * | trans | 73.7 | 142.2 | 151.6 | -55.4 | -25 | 0 | 0 | 0 | 118.2 | ||||
| 5 | L | 30.9 | Very low | 32.1 | Very low | 152 Ų | 152 | 135.3 Ų | 135.3 | 80% | 0.796 | 74% | 0.743 | S | S | * | * | cis | -161.4 | 161.5 | -6.9 | -112.6 | 168.3 | 0 | 0 | 0 | 109.8 | ||||
| 6 | L | 30.7 | Very low | 31.9 | Very low | 141 Ų | 141 | 139.1 Ų | 139.1 | 74% | 0.738 | 75% | 0.75 | S | S | * | * | trans | -81.6 | 165.5 | 161.8 | -64.7 | 170.8 | 0 | 0 | 0 | 110.5 | V8 | L6-V8 HydrophobicContact CB-CG2 4.48Š| ||
| 7 | P | 44.8 | Very low | 31.9 | Very low | 118 Ų | 118 | 138.2 Ų | 138.2 | 77% | 0.766 | 76% | 0.755 | S | S | * | * | -137.8 | 156.3 | 92.5 | 29.2 | -9.9 | 0 | 0 | 0 | 112.9 | |||||
| 8 | V | 30.8 | Very low | 32.2 | Very low | 110 Ų | 110 | 137.8 Ų | 137.8 | 67% | 0.667 | 76% | 0.76 | S | S | * | * | cis | 70.6 | 137.7 | 44.9 | -178.2 | 0 | 0 | 0 | 0 | 111 | L6 | L6-V8 HydrophobicContact CB-CG2 4.48Š| ||
| 9 | D | 28.2 | Very low | 32.3 | Very low | 135 Ų | 135 | 137.8 Ų | 137.8 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | cis | -131.3 | -160.1 | 11.3 | -134.7 | -16.6 | 0 | 0 | 0 | 110.1 | ||||
| 10 | E | 29.9 | Very low | 32 | Very low | 156 Ų | 156 | 134.8 Ų | 134.8 | 73% | 0.729 | 77% | 0.765 | S | S | * | * | cis | -136 | 158.6 | 7.1 | -66.4 | -172.2 | 51.3 | 0 | 0 | 113.8 | ||||
| 11 | N | 29.2 | Very low | 31.9 | Very low | 95 Ų | 95 | 138.9 Ų | 138.9 | 51% | 0.508 | 77% | 0.77 | S | S | . | * | trans | 44.6 | 146 | 130.2 | -67.7 | -34.6 | 0 | 0 | 0 | 123.7 | ||||
| 12 | F | 26.6 | Very low | 31.9 | Very low | 171 Ų | 171 | 136.4 Ų | 136.4 | 75% | 0.75 | 76% | 0.761 | S | S | * | * | cis | -155 | 150.8 | 0.7 | -125.5 | -53.5 | 0 | 0 | 0 | 111.1 | ||||
| 13 | S | 26.1 | Very low | 31.7 | Very low | 102 Ų | 102 | 133.2 Ų | 133.2 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | trans | 60 | 113.7 | 149.4 | -70.3 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 14 | S | 35.6 | Very low | 31.5 | Very low | 117 Ų | 117 | 133.8 Ų | 133.8 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | -117.2 | 157.5 | 136.6 | -67.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 15 | P | 44.3 | Very low | 31.4 | Very low | 108 Ų | 108 | 137.2 Ų | 137.2 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | -159.8 | 168.6 | 98 | 40.4 | -21.1 | 0 | 0 | 0 | 118.7 | |||||
| 16 | K | 28.1 | Very low | 31.4 | Very low | 196 Ų | 196 | 137.2 Ų | 137.2 | 85% | 0.852 | 77% | 0.765 | S | S | * | * | trans | 77.4 | 118.7 | 147.3 | -77 | 157.4 | -176.9 | 174.9 | 0 | 121.5 | ||||
| 17 | C | 33.3 | Very low | 31.5 | Very low | 123 Ų | 123 | 136.5 Ų | 136.5 | 83% | 0.831 | 77% | 0.766 | S | S | * | * | trans | -77.1 | 166.2 | 148.9 | -51 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 18 | P | 36.9 | Very low | 30.6 | Very low | 131 Ų | 131 | 134.7 Ų | 134.7 | 85% | 0.851 | 77% | 0.768 | S | S | * | * | -142.6 | 176.3 | 113.7 | 37.6 | -23.5 | 0 | 0 | 0 | 115.6 | |||||
| 19 | V | 34 | Very low | 30.6 | Very low | 138 Ų | 138 | 140.8 Ų | 140.8 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | trans | -77.9 | 148.6 | -173 | 172.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 20 | G | 27.1 | Very low | 30.5 | Very low | 77 Ų | 77 | 145.3 Ų | 145.3 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | trans | -141.8 | 130.3 | 162.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 21 | Y | 28.7 | Very low | 30.5 | Very low | 222 Ų | 222 | 142.2 Ų | 142.2 | 87% | 0.871 | 79% | 0.788 | S | S | * | * | trans | -107.9 | 161.6 | -179.2 | -134.1 | -97.6 | 0 | 0 | 0 | 110.1 | ||||
| 22 | L | 31.4 | Very low | 30.4 | Very low | 177 Ų | 177 | 147.1 Ų | 147.1 | 93% | 0.927 | 80% | 0.8 | S | S | * | * | trans | 112.8 | 133.3 | -177.6 | -68.1 | 163.4 | 0 | 0 | 0 | 111.5 | ||||
| 23 | G | 26.1 | Very low | 30.5 | Very low | 65 Ų | 65 | 148 Ų | 148 | 67% | 0.67 | 81% | 0.806 | S | S | * | * | cis | -176.6 | 146.5 | -6.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 24 | D | 28.4 | Very low | 30.6 | Very low | 132 Ų | 132 | 150.8 Ų | 150.8 | 71% | 0.706 | 81% | 0.81 | S | S | * | * | trans | 49.8 | 119.3 | 165.1 | -79.5 | -84.6 | 0 | 0 | 0 | 124.4 | ||||
| 25 | R | 29.4 | Very low | 30.4 | Very low | 215 Ų | 215 | 152.5 Ų | 152.5 | 81% | 0.811 | 81% | 0.809 | S | S | * | * | trans | 46.6 | 123.4 | 130.7 | -63.7 | 175.5 | 156.3 | 153.6 | -12.7 | 118.9 | ||||
| 26 | L | 30 | Very low | 29.7 | Very low | 153 Ų | 153 | 152.9 Ų | 152.9 | 80% | 0.801 | 81% | 0.812 | S | S | * | * | -167.7 | 141.3 | 72.3 | -88.7 | 171.8 | 0 | 0 | 0 | 113.5 | |||||
| 27 | V | 32.9 | Very low | 29.7 | Very low | 126 Ų | 126 | 148.4 Ų | 148.4 | 76% | 0.764 | 81% | 0.805 | S | S | * | * | trans | 50.1 | 66.8 | 154 | -161.7 | 0 | 0 | 0 | 0 | 118.3 | R29 | V27-R29 PolarHBondContact O-N 3.45Š| ||
| 28 | G | 26.5 | Very low | 29.8 | Very low | 79 Ų | 79 | 147.1 Ų | 147.1 | 81% | 0.814 | 80% | 0.795 | S | S | * | * | trans | -79.1 | 98.1 | 159.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | R30 | G28-R30 PolarHBondContact O-N 3.41Å; G28-R30 VanDerWaalsContact O-N 3.15Å | ||
| 29 | R | 29 | Very low | 29.3 | Very low | 239 Ų | 239 | 146.8 Ų | 146.8 | 90% | 0.902 | 79% | 0.79 | S | S | * | * | trans | -63 | 111.1 | 168.6 | -79.6 | -175.4 | 172.7 | -161.7 | 0.5 | 109.6 | V27 A31 | V27-R29 PolarHBondContact O-N 3.45Å; R29-A31 PolarHBondContact O-N 3.31Å | ||
| 30 | R | 27.7 | Very low | 28.9 | Very low | 230 Ų | 230 | 145 Ų | 145 | 87% | 0.868 | 79% | 0.785 | S | S | * | * | trans | -66.4 | 122.6 | 163.9 | -101 | -179.3 | 173.9 | 164.5 | -1.2 | 109.1 | G28 Y32 | G28-R30 PolarHBondContact O-N 3.41Å; G28-R30 VanDerWaalsContact O-N 3.15Å; R30-Y32 PolarHBondContact O-N 3.43Å; R30-Y32 VanDerWaalsContact O-N 3.15Å | ||
| 31 | A | 28.6 | Very low | 29.2 | Very low | 91 Ų | 91 | 149.8 Ų | 149.8 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | trans | -68 | 108.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | R29 | R29-A31 PolarHBondContact O-N 3.31Š| ||
| 32 | Y | 28.4 | Very low | 29.2 | Very low | 197 Ų | 197 | 145.8 Ų | 145.8 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | trans | -74.5 | 120.3 | 157.7 | -66 | -85.7 | 0 | 0 | 0 | 107.1 | R30 M34 | R30-Y32 PolarHBondContact O-N 3.43Å; R30-Y32 VanDerWaalsContact O-N 3.15Å; Y32-M34 PolarHBondContact O-N 3.32Å | ||
| 33 | H | 28.9 | Very low | 29.1 | Very low | 190 Ų | 190 | 144.5 Ų | 144.5 | 88% | 0.88 | 77% | 0.774 | S | S | * | * | trans | -66.5 | 80.9 | 160.3 | -94 | -96.3 | 0 | 0 | 0 | 108.4 | L35 | H33-L35 PolarHBondContact O-N 3.15Š| ||
| 34 | M | 26.8 | Very low | 29.5 | Very low | 160 Ų | 160 | 146.9 Ų | 146.9 | 79% | 0.788 | 78% | 0.78 | S | S | * | * | trans | -72.2 | 102.3 | 164.5 | -76.8 | -71.3 | -175.6 | 0 | 0 | 107.4 | Y32 | Y32-M34 PolarHBondContact O-N 3.32Š| ||
| 35 | L | 32.6 | Very low | 29.5 | Very low | 154 Ų | 154 | 148.1 Ų | 148.1 | 81% | 0.806 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 137.3 | 159 | -72.1 | 165 | 0 | 0 | 0 | 108.1 | H33 S37 | H33-L35 PolarHBondContact O-N 3.15Å; L35-S37 PolarHBondContact O-N 2.8Å |
| 36 | P | 29.3 | Very low | 29.9 | Very low | 115 Ų | 115 | 143 Ų | 143 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 127.4 | -175.7 | -25.2 | 34.1 | 0 | 0 | 0 | 111.9 | ||
| 37 | S | 27.7 | Very low | 30 | Very low | 103 Ų | 103 | 140.6 Ų | 140.6 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 140.7 | 159.4 | -66.3 | 0 | 0 | 0 | 0 | 108.1 | L35 V39 | L35-S37 PolarHBondContact O-N 2.8Å; S37-V39 PolarHBondContact O-N 3.15Å |
| 38 | P | 34.9 | Very low | 29.8 | Very low | 96 Ų | 96 | 140.2 Ų | 140.2 | 62% | 0.623 | 79% | 0.789 | S | S | * | * | trans | -65.1 | 112.9 | -177.1 | 26 | -31.6 | 0 | 0 | 0 | 109.4 | S40 W360 | P38-S40 PolarHBondContact O-N 3.19Å; P38-W360 HydrophobicContact CB-CH2 4.39Å; P38-W360 HydrophobicContact CG-CH2 3.98Å; P38-W360 HydrophobicContact CG-CZ3 4.26Å | ||
| 39 | V | 26 | Very low | 30 | Very low | 123 Ų | 123 | 141.4 Ų | 141.4 | 75% | 0.745 | 78% | 0.783 | S | S | * | * | trans | -62.8 | 118.1 | 154.5 | -75.6 | 0 | 0 | 0 | 0 | 106.3 | S37 E41 | S37-V39 PolarHBondContact O-N 3.15Å; V39-E41 PolarHBondContact O-N 3.35Å; V39-E41 VanDerWaalsContact O-N 3.15Å | ||
| 40 | S | 27.1 | Very low | 30 | Very low | 102 Ų | 102 | 135.7 Ų | 135.7 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | trans | -75.9 | 98.6 | 169.9 | 50.6 | 0 | 0 | 0 | 0 | 107.5 | P38 D42 | P38-S40 PolarHBondContact O-N 3.19Å; S40-D42 PolarHBondContact O-N 3.44Å | ||
| 41 | E | 31.8 | Very low | 30 | Very low | 176 Ų | 176 | 129.7 Ų | 129.7 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | trans | -70.4 | 106 | 165.4 | -64.5 | 177.7 | 129.7 | 0 | 0 | 107.7 | V39 | V39-E41 PolarHBondContact O-N 3.35Å; V39-E41 VanDerWaalsContact O-N 3.15Å | ||
| 42 | D | 28.8 | Very low | 30 | Very low | 138 Ų | 138 | 131.2 Ų | 131.2 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | trans | -141.2 | 88.9 | 171.4 | -99.7 | -58.8 | 0 | 0 | 0 | 105.4 | S40 | S40-D42 PolarHBondContact O-N 3.44Š| ||
| 43 | D | 31 | Very low | 30 | Very low | 150 Ų | 150 | 127.1 Ų | 127.1 | 80% | 0.802 | 78% | 0.775 | S | S | * | * | trans | -73.1 | 139.7 | -178.9 | -109 | -63.1 | 0 | 0 | 0 | 112.3 | ||||
| 44 | S | 33.7 | Very low | 30 | Very low | 116 Ų | 116 | 123.7 Ų | 123.7 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | trans | 178.6 | 77 | 150.3 | -81.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 45 | D | 29.1 | Very low | 30.6 | Very low | 157 Ų | 157 | 121.1 Ų | 121.1 | 84% | 0.84 | 77% | 0.768 | S | S | * | * | trans | -150.3 | 90.4 | 151.1 | -99.4 | -36 | 0 | 0 | 0 | 108.8 | S47 | D45-S47 PolarHBondContact O-N 3.3Š| ||
| 46 | A | 37.1 | Very low | 30.7 | Very low | 107 Ų | 107 | 120.9 Ų | 120.9 | 88% | 0.884 | 77% | 0.767 | S | S | * | * | trans | -69.6 | 99.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 47 | S | 31.4 | Very low | 30.9 | Very low | 103 Ų | 103 | 121.4 Ų | 121.4 | 72% | 0.72 | 77% | 0.774 | S | S | * | * | trans | -157.4 | 87.2 | 170.7 | -78.4 | 0 | 0 | 0 | 0 | 110.4 | D45 | D45-S47 PolarHBondContact O-N 3.3Š| ||
| 48 | S | 28.9 | Very low | 31.4 | Very low | 118 Ų | 118 | 126.2 Ų | 126.2 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | trans | -57.4 | 138.7 | 163.3 | -60.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 49 | P | 32.1 | Very low | 31.3 | Very low | 105 Ų | 105 | 126 Ų | 126 | 68% | 0.682 | 79% | 0.792 | S | S | * | * | -130.1 | 135.7 | 105.5 | 34.8 | -28.2 | 0 | 0 | 0 | 111.9 | S51 | P49-S51 PolarHBondContact O-N 2.99Š| |||
| 50 | C | 28.2 | Very low | 31.7 | Very low | 119 Ų | 119 | 128.5 Ų | 128.5 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -61 | 132.5 | 166.6 | -57.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 51 | S | 28.2 | Very low | 31.7 | Very low | 103 Ų | 103 | 129.4 Ų | 129.4 | 72% | 0.72 | 81% | 0.805 | S | S | * | * | trans | -139.7 | 78.6 | 169.4 | -67.1 | 0 | 0 | 0 | 0 | 108.6 | P49 | P49-S51 PolarHBondContact O-N 2.99Š| ||
| 52 | C | 28.6 | Very low | 31.5 | Very low | 124 Ų | 124 | 126.4 Ų | 126.4 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | trans | -71.9 | 133.6 | 162.3 | 43.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 53 | S | 27.8 | Very low | 31.4 | Very low | 110 Ų | 110 | 125.6 Ų | 125.6 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | trans | -154 | 70.6 | 179.8 | -69.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 54 | S | 29.4 | Very low | 31.3 | Very low | 118 Ų | 118 | 129.6 Ų | 129.6 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | trans | -170.7 | 152.7 | 137 | -84 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 55 | P | 39.3 | Very low | 30.9 | Very low | 106 Ų | 106 | 127.8 Ų | 127.8 | 69% | 0.688 | 81% | 0.812 | S | S | * | * | trans | -81.8 | -175.4 | -172 | 35.8 | -37.5 | 0 | 0 | 0 | 113.1 | ||||
| 56 | D | 33.7 | Very low | 30.8 | Very low | 149 Ų | 149 | 124.3 Ų | 124.3 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | trans | 76 | 69.2 | 167.6 | -53.1 | -39.7 | 0 | 0 | 0 | 117.7 | ||||
| 57 | S | 34.1 | Very low | 30.2 | Very low | 126 Ų | 126 | 122.7 Ų | 122.7 | 88% | 0.881 | 81% | 0.807 | S | S | * | * | -166.6 | 130.7 | 129.8 | -81.3 | 0 | 0 | 0 | 0 | 110.8 | A59 | S57-A59 PolarHBondContact O-N 3.24Š| |||
| 58 | Q | 38.9 | Very low | 30.6 | Very low | 205 Ų | 205 | 124 Ų | 124 | 96% | 0.958 | 81% | 0.813 | S | S | * | * | trans | -79.3 | 114.3 | -178.4 | -63.2 | 174.7 | 12.1 | 0 | 0 | 111.3 | ||||
| 59 | A | 32.8 | Very low | 30.4 | Very low | 92 Ų | 92 | 122.1 Ų | 122.1 | 76% | 0.76 | 81% | 0.812 | S | S | * | * | trans | -151.3 | 137.1 | 161.2 | 0 | 0 | 0 | 0 | 0 | 110 | S57 | S57-A59 PolarHBondContact O-N 3.24Š| ||
| 60 | L | 32.8 | Very low | 30.4 | Very low | 175 Ų | 175 | 122.8 Ų | 122.8 | 92% | 0.916 | 81% | 0.814 | S | S | * | * | trans | -78.8 | 121.1 | -171.6 | -67.3 | 159.7 | 0 | 0 | 0 | 111.8 | ||||
| 61 | C | 27.5 | Very low | 30.5 | Very low | 121 Ų | 121 | 125.8 Ų | 125.8 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | -105.6 | 105.2 | 164.2 | -81.7 | 0 | 0 | 0 | 0 | 110.1 | C63 | C61-C63 PolarHBondContact O-N 2.85Š| ||
| 62 | S | 29.1 | Very low | 30.4 | Very low | 112 Ų | 112 | 126.7 Ų | 126.7 | 78% | 0.783 | 82% | 0.823 | S | S | * | * | trans | -85 | 102.5 | 169.6 | -68.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 63 | C | 26.2 | Very low | 30.6 | Very low | 121 Ų | 121 | 128.9 Ų | 128.9 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | trans | -95.8 | 107.4 | 167.1 | -63.5 | 0 | 0 | 0 | 0 | 109.3 | C61 G65 | C61-C63 PolarHBondContact O-N 2.85Å; C63-G65 PolarHBondContact O-N 3.47Å | ||
| 64 | Y | 27.8 | Very low | 30.8 | Very low | 234 Ų | 234 | 130.7 Ų | 130.7 | 92% | 0.918 | 82% | 0.822 | S | S | * | * | trans | -72.1 | 113.8 | 167 | -97.1 | -90.2 | 0 | 0 | 0 | 109.2 | ||||
| 65 | G | 25.7 | Very low | 30.9 | Very low | 79 Ų | 79 | 130.6 Ų | 130.6 | 81% | 0.814 | 82% | 0.821 | S | S | * | * | trans | -77.9 | 138.9 | 171 | 0 | 0 | 0 | 0 | 0 | 111 | C63 | C63-G65 PolarHBondContact O-N 3.47Š| ||
| 66 | G | 26.4 | Very low | 30.7 | Very low | 83 Ų | 83 | 133.1 Ų | 133.1 | 86% | 0.856 | 83% | 0.827 | S | S | * | * | trans | -155.1 | 120.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 67 | G | 24.3 | Very low | 30.7 | Very low | 73 Ų | 73 | 133.8 Ų | 133.8 | 75% | 0.753 | 83% | 0.83 | S | S | * | * | trans | 168.2 | 175 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 68 | P | 40.2 | Very low | 30.8 | Very low | 132 Ų | 132 | 135.6 Ų | 135.6 | 86% | 0.857 | 83% | 0.83 | S | S | * | * | cis | -110 | 165.8 | -17.5 | 36.8 | -25.1 | 0 | 0 | 0 | 111.9 | ||||
| 69 | G | 26.3 | Very low | 30.5 | Very low | 78 Ų | 78 | 135.3 Ų | 135.3 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | trans | -127.4 | 142.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 70 | T | 30.2 | Very low | 30.5 | Very low | 118 Ų | 118 | 139.1 Ų | 139.1 | 72% | 0.724 | 83% | 0.832 | S | S | * | * | trans | -106.3 | 152.6 | -163.7 | 49.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 71 | E | 30.2 | Very low | 30.4 | Very low | 183 Ų | 183 | 138.8 Ų | 138.8 | 86% | 0.855 | 83% | 0.831 | S | S | * | * | trans | 44.6 | 115.9 | 154.9 | 14.4 | 178 | 143.9 | 0 | 0 | 120.2 | ||||
| 72 | S | 27.4 | Very low | 30.6 | Very low | 122 Ų | 122 | 138.3 Ų | 138.3 | 85% | 0.853 | 83% | 0.829 | S | S | * | * | -176.5 | 160.9 | 104.3 | -168.7 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 73 | Q | 32.4 | Very low | 30.7 | Very low | 169 Ų | 169 | 142.2 Ų | 142.2 | 79% | 0.79 | 84% | 0.835 | S | S | * | * | trans | -89.1 | 172.5 | 173.2 | -67.7 | -175.7 | -40.2 | 0 | 0 | 112.4 | ||||
| 74 | D | 31.5 | Very low | 30.8 | Very low | 148 Ų | 148 | 141.2 Ų | 141.2 | 79% | 0.791 | 84% | 0.835 | S | S | * | * | trans | 93.4 | 147.4 | 155.1 | -66.2 | -44.3 | 0 | 0 | 0 | 122.1 | ||||
| 75 | S | 31.9 | Very low | 30.8 | Very low | 116 Ų | 116 | 136.4 Ų | 136.4 | 81% | 0.811 | 83% | 0.83 | S | S | * | * | trans | 82.3 | 89.9 | 163 | -56.1 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 76 | I | 35.5 | Very low | 31.3 | Very low | 160 Ų | 160 | 141.3 Ų | 141.3 | 82% | 0.821 | 84% | 0.837 | S | S | * | * | trans | -52.8 | 144.7 | 148.2 | -68.9 | 156.3 | 0 | 0 | 0 | 110 | ||||
| 77 | L | 34.6 | Very low | 31.4 | Very low | 163 Ų | 163 | 141.2 Ų | 141.2 | 85% | 0.853 | 84% | 0.836 | S | S | * | * | trans | 89.3 | 80.5 | -178.8 | -54.5 | 176.3 | 0 | 0 | 0 | 117.6 | ||||
| 78 | D | 34.3 | Very low | 31.7 | Very low | 163 Ų | 163 | 144.1 Ų | 144.1 | 87% | 0.872 | 85% | 0.845 | S | S | * | * | trans | -159.9 | 48.4 | 144.5 | -151.1 | 62.2 | 0 | 0 | 0 | 114.4 | ||||
| 79 | F | 32.5 | Very low | 31.2 | Very low | 200 Ų | 200 | 141.5 Ų | 141.5 | 88% | 0.877 | 84% | 0.842 | S | S | * | * | S | Bend | trans | -140.5 | 28.7 | 175.9 | -148.2 | -100.3 | 0 | 0 | 0 | 115.2 | ||
| 80 | L | 34.3 | Very low | 31.4 | Very low | 171 Ų | 171 | 142 Ų | 142 | 90% | 0.895 | 85% | 0.847 | S | S | * | * | trans | -139.3 | 70.9 | 173.2 | -73.9 | 178.7 | 0 | 0 | 0 | 111.8 | ||||
| 81 | L | 30.3 | Very low | 31.4 | Very low | 169 Ų | 169 | 140.2 Ų | 140.2 | 89% | 0.885 | 85% | 0.852 | S | S | * | * | trans | -156.3 | 140.3 | 153.3 | -140.8 | 69.6 | 0 | 0 | 0 | 112.4 | ||||
| 82 | S | 31 | Very low | 31.6 | Very low | 111 Ų | 111 | 137.6 Ų | 137.6 | 78% | 0.776 | 85% | 0.854 | S | S | * | * | trans | 74.6 | 123.4 | -179.5 | -41.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 83 | Q | 32.6 | Very low | 31.7 | Very low | 194 Ų | 194 | 135.6 Ų | 135.6 | 91% | 0.907 | 85% | 0.852 | S | S | * | * | cis | -144.4 | 128.8 | 20.7 | -61.8 | 175.4 | 74.8 | 0 | 0 | 112 | ||||
| 84 | A | 26.7 | Very low | 31.6 | Very low | 99 Ų | 99 | 133.3 Ų | 133.3 | 82% | 0.818 | 86% | 0.855 | S | S | * | * | trans | -166.9 | 92.7 | 159.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 85 | T | 29.3 | Very low | 31.6 | Very low | 134 Ų | 134 | 131.1 Ų | 131.1 | 82% | 0.822 | 85% | 0.851 | S | S | * | * | trans | -142 | 151.5 | 164 | 47.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 86 | L | 35.1 | Very low | 31.5 | Very low | 181 Ų | 181 | 133.7 Ų | 133.7 | 95% | 0.948 | 85% | 0.854 | S | S | * | * | trans | 68.3 | 113.7 | -172.4 | -41.8 | -179.2 | 0 | 0 | 0 | 113 | ||||
| 87 | G | 29 | Very low | 31.1 | Very low | 82 Ų | 82 | 129.4 Ų | 129.4 | 85% | 0.845 | 85% | 0.849 | S | S | * | * | cis | 146.8 | 114.6 | 2 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 88 | S | 30.2 | Very low | 30.9 | Very low | 134 Ų | 134 | 126 Ų | 126 | 94% | 0.937 | 85% | 0.845 | S | S | * | * | trans | -137.5 | 115.2 | 178.5 | -166.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 89 | G | 30.9 | Very low | 30.7 | Very low | 77 Ų | 77 | 123.9 Ų | 123.9 | 79% | 0.794 | 84% | 0.842 | S | S | * | * | trans | -134.1 | 125.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 90 | G | 30 | Very low | 30.8 | Very low | 88 Ų | 88 | 119.7 Ų | 119.7 | 91% | 0.907 | 84% | 0.838 | S | S | * | * | trans | -75.1 | 158.7 | -162.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 91 | G | 28.9 | Very low | 30.4 | Very low | 80 Ų | 80 | 114.8 Ų | 114.8 | 83% | 0.825 | 83% | 0.828 | S | S | * | * | trans | -137.5 | 127.9 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 92 | S | 34.2 | Very low | 31.3 | Very low | 129 Ų | 129 | 111.8 Ų | 111.8 | 90% | 0.902 | 82% | 0.819 | S | S | * | * | trans | -78.7 | 147.2 | 176.5 | 53.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 93 | G | 30.4 | Very low | 31.2 | Very low | 79 Ų | 79 | 115 Ų | 115 | 81% | 0.814 | 82% | 0.824 | S | S | * | * | trans | 166.3 | 109.8 | 164.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 94 | S | 30.5 | Very low | 31 | Very low | 121 Ų | 121 | 109.2 Ų | 109.2 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | trans | -70.7 | 147.4 | 173.2 | -48.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 95 | S | 30.8 | Very low | 31 | Very low | 102 Ų | 102 | 116.4 Ų | 116.4 | 71% | 0.713 | 82% | 0.816 | S | S | * | * | 167.8 | 155.4 | 121.3 | 50.4 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 96 | I | 30 | Very low | 30.8 | Very low | 171 Ų | 171 | 113.1 Ų | 113.1 | 88% | 0.877 | 81% | 0.809 | S | S | * | * | trans | 48.8 | 136.5 | 158.7 | 59.8 | 169.4 | 0 | 0 | 0 | 120.2 | ||||
| 97 | G | 28.2 | Very low | 31.5 | Very low | 70 Ų | 70 | 109.8 Ų | 109.8 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | cis | 169.9 | 156.1 | -6.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 98 | A | 29.7 | Very low | 31.3 | Very low | 92 Ų | 92 | 117.1 Ų | 117.1 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | trans | 61.4 | 135.2 | 157 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 99 | S | 30.9 | Very low | 31.2 | Very low | 117 Ų | 117 | 120.7 Ų | 120.7 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | 63.8 | 141.8 | 152.1 | 46.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 100 | S | 33.3 | Very low | 31.2 | Very low | 113 Ų | 113 | 128.7 Ų | 128.7 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | cis | -161.4 | 150.1 | 1.1 | 34.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 101 | G | 26.8 | Very low | 30.9 | Very low | 67 Ų | 67 | 128.2 Ų | 128.2 | 69% | 0.691 | 79% | 0.794 | S | S | * | * | trans | -79.2 | -156.7 | 158.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 102 | P | 48.2 | Very low | 30.8 | Very low | 106 Ų | 106 | 129.4 Ų | 129.4 | 69% | 0.688 | 80% | 0.796 | S | S | * | * | cis | -143.2 | -170.2 | 5.3 | 44.9 | -27.2 | 0 | 0 | 0 | 114.8 | ||||
| 103 | M | 28.7 | Very low | 30.5 | Very low | 179 Ų | 179 | 129.4 Ų | 129.4 | 88% | 0.882 | 79% | 0.791 | S | S | * | * | trans | 70.1 | 150.1 | 155.8 | -69.8 | 170 | -166.9 | 0 | 0 | 116.8 | ||||
| 104 | A | 28.3 | Very low | 30.4 | Very low | 73 Ų | 73 | 131.7 Ų | 131.7 | 60% | 0.603 | 79% | 0.792 | S | S | * | * | cis | -159.7 | 147.6 | 12.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 105 | W | 28.5 | Very low | 30.4 | Very low | 249 Ų | 249 | 132.6 Ų | 132.6 | 94% | 0.943 | 79% | 0.792 | S | S | * | * | trans | 73.5 | 120 | 142.9 | -57.8 | 21.4 | 0 | 0 | 0 | 120.1 | ||||
| 106 | G | 24.7 | Very low | 30.2 | Very low | 66 Ų | 66 | 137.1 Ų | 137.1 | 68% | 0.68 | 80% | 0.799 | S | S | * | * | trans | -95.6 | -152.7 | 142 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 107 | P | 50 | Low | 30.1 | Very low | 110 Ų | 110 | 132.1 Ų | 132.1 | 71% | 0.714 | 79% | 0.789 | S | S | * | * | cis | -129.2 | -168.4 | -12 | 39.9 | -23 | 0 | 0 | 0 | 112.2 | ||||
| 108 | W | 24.3 | Very low | 30.1 | Very low | 236 Ų | 236 | 137.5 Ų | 137.5 | 89% | 0.894 | 80% | 0.796 | S | S | * | * | trans | 155.1 | 166.9 | 136.7 | -86.9 | 98.9 | 0 | 0 | 0 | 113 | ||||
| 109 | R | 27.8 | Very low | 30.1 | Very low | 209 Ų | 209 | 141.7 Ų | 141.7 | 79% | 0.789 | 80% | 0.799 | S | S | * | * | trans | -112.9 | 165.8 | -149.5 | -103.6 | -153.4 | -71.6 | -113 | 6.1 | 116.7 | ||||
| 110 | R | 30.5 | Very low | 29.8 | Very low | 245 Ų | 245 | 145.5 Ų | 145.5 | 93% | 0.925 | 80% | 0.801 | S | S | * | * | trans | 92.5 | 135.7 | 165.1 | -60.5 | 178.8 | -73.4 | -139.8 | 0.2 | 114.9 | ||||
| 111 | G | 24.8 | Very low | 29.5 | Very low | 78 Ų | 78 | 145.8 Ų | 145.8 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | cis | 149.5 | 120.3 | -10.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 112 | A | 25.7 | Very low | 29.4 | Very low | 105 Ų | 105 | 151.3 Ų | 151.3 | 87% | 0.868 | 81% | 0.807 | S | S | * | * | trans | -168.4 | 139.3 | 159.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 113 | T | 27.6 | Very low | 28.6 | Very low | 129 Ų | 129 | 151.2 Ų | 151.2 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | trans | -86.7 | 160.6 | 170.8 | 53.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 114 | P | 29.6 | Very low | 28.5 | Very low | 127 Ų | 127 | 152 Ų | 152 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | -134 | 163.7 | 89 | 24.4 | -5.5 | 0 | 0 | 0 | 114.3 | |||||
| 115 | V | 29.3 | Very low | 28.5 | Very low | 140 Ų | 140 | 156.8 Ų | 156.8 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 130.9 | -171 | -163.6 | 0 | 0 | 0 | 0 | 111 | ||
| 116 | K | 27.7 | Very low | 28.9 | Very low | 198 Ų | 198 | 150.7 Ų | 150.7 | 86% | 0.861 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -102.9 | 137.3 | 173.7 | -163.1 | 172.9 | -176.8 | -179.4 | 0 | 108.9 | ||
| 117 | G | 28.1 | Very low | 29.5 | Very low | 66 Ų | 66 | 156.2 Ų | 156.2 | 68% | 0.68 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 139.5 | -164.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 118 | E | 28.1 | Very low | 28.7 | Very low | 182 Ų | 182 | 154.3 Ų | 154.3 | 85% | 0.85 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 133 | 173.8 | -63.8 | -176.5 | 132.1 | 0 | 0 | 110.4 | ||
| 119 | H | 30.3 | Very low | 29.2 | Very low | 180 Ų | 180 | 149.8 Ų | 149.8 | 83% | 0.833 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 124.2 | 176.2 | -75.4 | -136.7 | 0 | 0 | 0 | 109.7 | C121 | H119-C121 PolarHBondContact O-N 3.06Š|
| 120 | F | 24.1 | Very low | 29.9 | Very low | 197 Ų | 197 | 145.7 Ų | 145.7 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | trans | -80.9 | 111.6 | 166.1 | -94.9 | -97.2 | 0 | 0 | 0 | 109.9 | ||||
| 121 | C | 25.8 | Very low | 30 | Very low | 120 Ų | 120 | 140.9 Ų | 140.9 | 81% | 0.811 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 127.1 | 167.8 | -68.8 | 0 | 0 | 0 | 0 | 110.3 | H119 | H119-C121 PolarHBondContact O-N 3.06Š|
| 122 | F | 24.7 | Very low | 30.5 | Very low | 183 Ų | 183 | 143.6 Ų | 143.6 | 80% | 0.803 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -73 | 139.5 | 161.6 | -86.5 | -102.1 | 0 | 0 | 0 | 109.6 | ||
| 123 | P | 31.7 | Very low | 31 | Very low | 104 Ų | 104 | 144.4 Ų | 144.4 | 68% | 0.675 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 135.8 | 159.9 | -11.5 | 27.9 | 0 | 0 | 0 | 109.8 | ||
| 124 | E | 27.1 | Very low | 31.3 | Very low | 194 Ų | 194 | 142.5 Ų | 142.5 | 91% | 0.907 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 136.9 | 169.7 | -69 | 176.1 | 100.1 | 0 | 0 | 110.7 | ||
| 125 | F | 29.4 | Very low | 31.5 | Very low | 174 Ų | 174 | 146.9 Ų | 146.9 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 135 | 170.4 | -72.6 | -89.3 | 0 | 0 | 0 | 109.6 | L127 | F125-L127 PolarHBondContact O-N 3.25Š|
| 126 | P | 36.2 | Very low | 31.9 | Very low | 122 Ų | 122 | 145.4 Ų | 145.4 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 129.9 | 169.4 | -18.4 | 31.2 | 0 | 0 | 0 | 110.4 | G128 | P126-G128 PolarHBondContact O-N 3.24Š|
| 127 | L | 37.3 | Very low | 32.4 | Very low | 182 Ų | 182 | 143.7 Ų | 143.7 | 95% | 0.953 | 77% | 0.774 | S | S | * | * | trans | -66.8 | 113.9 | 168.1 | -72.3 | 162.2 | 0 | 0 | 0 | 108.6 | F125 | F125-L127 PolarHBondContact O-N 3.25Š| ||
| 128 | G | 33.7 | Very low | 32.9 | Very low | 69 Ų | 69 | 147.9 Ų | 147.9 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | trans | -85.8 | 150.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112 | P126 | P126-G128 PolarHBondContact O-N 3.24Š| ||
| 129 | D | 33.9 | Very low | 33.5 | Very low | 141 Ų | 141 | 142.5 Ų | 142.5 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | trans | -57.5 | 145.6 | -179.5 | -89.7 | -74.7 | 0 | 0 | 0 | 113.9 | D131 | D129-D131 VanDerWaalsContact C-N 3.29Å; D129-D131 PolarHBondContact O-N 2.66Å | ||
| 130 | P | 42.7 | Very low | 34.3 | Very low | 123 Ų | 123 | 137.3 Ų | 137.3 | 80% | 0.799 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | -5.6 | -175.2 | 31 | -36 | 0 | 0 | 0 | 115.5 | ||
| 131 | D | 33.5 | Very low | 35.4 | Very low | 144 Ų | 144 | 133.9 Ų | 133.9 | 77% | 0.77 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | -2.1 | -175.2 | -80.3 | -60.7 | 0 | 0 | 0 | 115.1 | D129 V133 | D129-D131 VanDerWaalsContact C-N 3.29Å; D129-D131 PolarHBondContact O-N 2.66Å; D131-V133 PolarHBondContact O-N 2.78Å |
| 132 | D | 34.6 | Very low | 36.5 | Very low | 136 Ų | 136 | 135.3 Ų | 135.3 | 73% | 0.727 | 72% | 0.722 | S | S | * | * | trans | -79.9 | 83.5 | 176.6 | -150.1 | -47.9 | 0 | 0 | 0 | 111.2 | P134 | D132-P134 WeakPolarHBondContact O-CD 3.47Å; D132-P134 VanDerWaalsContact O-N 3.13Å | ||
| 133 | V | 35 | Very low | 37.6 | Very low | 122 Ų | 122 | 128.8 Ų | 128.8 | 74% | 0.739 | 69% | 0.694 | S | S | * | * | trans | -60.8 | 110 | 171.3 | 177.6 | 0 | 0 | 0 | 0 | 108.5 | D131 R135 | D131-V133 PolarHBondContact O-N 2.78Å; V133-R135 PolarHBondContact O-N 2.83Å | ||
| 134 | P | 34.9 | Very low | 38.8 | Very low | 88 Ų | 88 | 127.1 Ų | 127.1 | 57% | 0.571 | 68% | 0.679 | S | S | * | * | trans | -64.8 | 117.1 | -173.7 | -20.5 | 33.4 | 0 | 0 | 0 | 109.3 | D132 | D132-P134 WeakPolarHBondContact O-CD 3.47Å; D132-P134 VanDerWaalsContact O-N 3.13Å | ||
| 135 | R | 33.8 | Very low | 40.2 | Very low | 219 Ų | 219 | 123 Ų | 123 | 83% | 0.826 | 66% | 0.66 | S | S | * | * | trans | -48.7 | 136.7 | 174.1 | -81.9 | -171.4 | 177.8 | -149.7 | 0.7 | 108.9 | V133 F137 | V133-R135 PolarHBondContact O-N 2.83Å; R135-F137 PolarHBondContact O-N 3.36Å | ||
| 136 | P | 36.5 | Very low | 41.6 | Very low | 109 Ų | 109 | 118.9 Ų | 118.9 | 71% | 0.708 | 64% | 0.643 | S | S | * | * | trans | -58.7 | 108.6 | 173.5 | 24.1 | -32.5 | 0 | 0 | 0 | 108.2 | Q138 | P136-Q138 PolarHBondContact O-N 3.36Š| ||
| 137 | F | 39.8 | Very low | 42.2 | Very low | 162 Ų | 162 | 119 Ų | 119 | 71% | 0.711 | 63% | 0.631 | S | S | * | * | trans | -49.2 | 109.3 | -173.2 | -93.7 | -93.5 | 0 | 0 | 0 | 110.1 | R135 | R135-F137 PolarHBondContact O-N 3.36Š| ||
| 138 | Q | 37.1 | Very low | 43.2 | Very low | 155 Ų | 155 | 114.1 Ų | 114.1 | 72% | 0.724 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 134.2 | 165.1 | -58.9 | -68.4 | -77.5 | 0 | 0 | 106.6 | P136 | P136-Q138 PolarHBondContact O-N 3.36Š|
| 139 | P | 41.6 | Very low | 44.6 | Very low | 69 Ų | 69 | 118.3 Ų | 118.3 | 45% | 0.448 | 61% | 0.607 | S | S | . | * | P | Polyproline II helix | trans | -58.3 | 142.9 | 169.7 | 24.7 | -30.7 | 0 | 0 | 0 | 109 | E143 I144 | P139-E143 WeakPolarHBondContact CA-OE2 3.23Å; P139-E143 HydrophobicContact CB-CB 4.09Å; P139-I144 HydrophobicContact CB-CG1 4.01Å; P139-I144 HydrophobicContact CG-CD1 4.04Å; P139-I144 HydrophobicContact CG-CG1 3.8Å |
| 140 | T | 47.3 | Very low | 45.6 | Very low | 70 Ų | 70 | 114.7 Ų | 114.7 | 43% | 0.429 | 59% | 0.585 | S | S | . | * | P | Polyproline II helix | trans | -64.9 | 158.3 | 177.2 | 61.6 | 0 | 0 | 0 | 0 | 110.2 | E142 E143 I144 | T140-E142 PolarHBondContact O-N 3.03Å; T140-E143 PolarHBondContact N-OE2 3.32Å; T140-E143 PolarHBondContact O-N 3.27Å; T140-E143 WeakPolarHBondContact OG1-CG 3.36Å; T140-E143 PolarHBondContact OG1-N 2.88Å; T140-I144 WeakPolarHBondContact O-CG1 3.47Å; T140-I144 PolarHBondContact O-N 2.86Å |
| 141 | L | 46.1 | Very low | 45.7 | Very low | 125 Ų | 125 | 112 Ų | 112 | 65% | 0.654 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -56.2 | -37.3 | 174.8 | -77.8 | 168.7 | 0 | 0 | 0 | 111.2 | E143 I144 E145 | L141-E143 PolarHBondContact O-N 2.91Å; L141-I144 CarbonylContact O-C 3.49Å; L141-I144 PolarHBondContact O-N 3.49Å; L141-I144 VanDerWaalsContact O-N 3.17Å; L141-E145 VanDerWaalsContact O-CB 3.3Å; L141-E145 WeakPolarHBondContact O-CB 3.44Å; L141-E145 VanDerWaalsContact O-CG 3.29Å; L141-E145 WeakPolarHBondContact O-CG 3.34Å; L141-E145 PolarHBondContact O-N 3.38Å |
| 142 | E | 49.3 | Very low | 46.2 | Very low | 151 Ų | 151 | 111.4 Ų | 111.4 | 71% | 0.706 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -60.3 | -41.6 | 172.3 | -58.2 | 172.4 | 164.4 | 0 | 0 | 112.9 | T140 I144 E146 | T140-E142 PolarHBondContact O-N 3.03Å; E142-I144 VanDerWaalsContact C-N 3.33Å; E142-E146 WeakPolarHBondContact O-CB 3.19Å; E142-E146 PolarHBondContact O-N 3.38Å |
| 143 | E | 49 | Very low | 47.1 | Very low | 46 Ų | 46 | 111.9 Ų | 111.9 | 22% | 0.215 | 56% | 0.556 | C | S | . | * | H | α-helix | trans | -70.2 | -28.5 | 175.4 | -74.4 | 179.3 | 140.1 | 0 | 0 | 112.5 | P139 T140 L141 F147 R372 | P139-E143 WeakPolarHBondContact CA-OE2 3.23Å; P139-E143 HydrophobicContact CB-CB 4.09Å; T140-E143 PolarHBondContact N-OE2 3.32Å; T140-E143 PolarHBondContact O-N 3.27Å; T140-E143 WeakPolarHBondContact OG1-CG 3.36Å; T140-E143 PolarHBondContact OG1-N 2.88Å; L141-E143 PolarHBondContact O-N 2.91Å; E143-F147 WeakPolarHBondContact O-CB 3.27Å; E143-F147 PolarHBondContact O-N 2.93Å; E143-R372 IonicContact OE1-CZ 2.75Å; E143-R372 IonicContact OE1-NH1 3.03Å; E143-R372 PolarHBondContact OE1-NH1 2.9Å; E143-R372 IonicContact OE1-NH2 3.68Å; E143-R372 PolarHBondContact OE1-NH2 3.18Å; E143-R372 IonicContact OE2-NH2 3.8Å; E143-R372 PolarHBondContact OE2-NH2 3.28Å |
| 144 | I | 55.3 | Low | 47.3 | Very low | 68 Ų | 68 | 112 Ų | 112 | 35% | 0.349 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -77.2 | -44.7 | 175 | -63 | 168.3 | 0 | 0 | 0 | 110.1 | P139 T140 L141 E142 F147 L148 | P139-I144 HydrophobicContact CB-CG1 4.01Å; P139-I144 HydrophobicContact CG-CD1 4.04Å; P139-I144 HydrophobicContact CG-CG1 3.8Å; T140-I144 WeakPolarHBondContact O-CG1 3.47Å; T140-I144 PolarHBondContact O-N 2.86Å; L141-I144 CarbonylContact O-C 3.49Å; L141-I144 PolarHBondContact O-N 3.49Å; L141-I144 VanDerWaalsContact O-N 3.17Å; E142-I144 VanDerWaalsContact C-N 3.33Å; I144-F147 PolarHBondContact O-N 3.15Å; I144-L148 HydrophobicContact CG2-CD1 3.89Å; I144-L148 HydrophobicContact CG2-CG 4.41Å; I144-L148 WeakPolarHBondContact O-CB 3.47Å; I144-L148 VanDerWaalsContact O-CG 3.24Å; I144-L148 WeakPolarHBondContact O-CG 3.34Å; I144-L148 PolarHBondContact O-N 3.01Å |
| 145 | E | 57.9 | Low | 47.4 | Very low | 109 Ų | 109 | 111.3 Ų | 111.3 | 51% | 0.509 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.3 | -47.7 | 178.3 | -74.6 | 169.1 | -176.1 | 0 | 0 | 110.7 | L141 F147 L148 E149 | L141-E145 VanDerWaalsContact O-CB 3.3Å; L141-E145 WeakPolarHBondContact O-CB 3.44Å; L141-E145 VanDerWaalsContact O-CG 3.29Å; L141-E145 WeakPolarHBondContact O-CG 3.34Å; L141-E145 PolarHBondContact O-N 3.38Å; E145-F147 VanDerWaalsContact C-N 3.28Å; E145-F147 PolarHBondContact O-N 3.29Å; E145-L148 PolarHBondContact O-N 3.34Å; E145-L148 VanDerWaalsContact O-N 3.1Å; E145-E149 WeakPolarHBondContact O-CB 3.47Å; E145-E149 WeakPolarHBondContact O-CG 3.41Å; E145-E149 PolarHBondContact O-N 3.46Å |
| 146 | E | 58.9 | Low | 47.4 | Very low | 86 Ų | 86 | 107.4 Ų | 107.4 | 40% | 0.402 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -60.9 | -37.2 | 174.1 | -171.2 | -178.1 | -163.5 | 0 | 0 | 111.5 | E142 E150 F351 | E142-E146 WeakPolarHBondContact O-CB 3.19Å; E142-E146 PolarHBondContact O-N 3.38Å; E146-E150 WeakPolarHBondContact O-CB 3.31Å; E146-E150 PolarHBondContact O-N 3.44Å; E146-F351 VanDerWaalsContact OE1-CE1 3.26Å; E146-F351 WeakPolarHBondContact OE1-CE1 3.27Å |
| 147 | F | 47.7 | Very low | 47.4 | Very low | 126 Ų | 126 | 111.6 Ų | 111.6 | 55% | 0.553 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -69.5 | -34.3 | 175.7 | -177.1 | -96.2 | 0 | 0 | 0 | 112.9 | E143 I144 E145 N151 | E143-F147 WeakPolarHBondContact O-CB 3.27Å; E143-F147 PolarHBondContact O-N 2.93Å; I144-F147 PolarHBondContact O-N 3.15Å; E145-F147 VanDerWaalsContact C-N 3.28Å; E145-F147 PolarHBondContact O-N 3.29Å; F147-N151 WeakPolarHBondContact O-CB 3.41Å; F147-N151 PolarHBondContact O-N 3.46Å; F147-N151 PolarHBondContact O-ND2 3.33Å |
| 148 | L | 58.9 | Low | 47.1 | Very low | 79 Ų | 79 | 112.3 Ų | 112.3 | 41% | 0.414 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -71.1 | -43 | 174.1 | -72.3 | 169 | 0 | 0 | 0 | 110.8 | I144 E145 E150 N151 M152 | I144-L148 HydrophobicContact CG2-CD1 3.89Å; I144-L148 HydrophobicContact CG2-CG 4.41Å; I144-L148 WeakPolarHBondContact O-CB 3.47Å; I144-L148 VanDerWaalsContact O-CG 3.24Å; I144-L148 WeakPolarHBondContact O-CG 3.34Å; I144-L148 PolarHBondContact O-N 3.01Å; E145-L148 PolarHBondContact O-N 3.34Å; E145-L148 VanDerWaalsContact O-N 3.1Å; L148-E150 VanDerWaalsContact C-N 3.34Å; L148-E150 PolarHBondContact O-N 2.83Å; L148-N151 CarbonylContact O-C 3.52Å; L148-N151 PolarHBondContact O-N 2.97Å; L148-N151 VanDerWaalsContact O-N 3.08Å; L148-M152 HydrophobicContact CD2-CE 4.18Å; L148-M152 WeakPolarHBondContact O-CB 3.45Å; L148-M152 PolarHBondContact O-N 3.24Å |
| 149 | E | 62.7 | Low | 46.6 | Very low | 157 Ų | 157 | 109.2 Ų | 109.2 | 73% | 0.734 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -63.8 | -33.9 | 173.1 | -70.7 | -175.5 | 173.5 | 0 | 0 | 112.8 | E145 N151 | E145-E149 WeakPolarHBondContact O-CB 3.47Å; E145-E149 WeakPolarHBondContact O-CG 3.41Å; E145-E149 PolarHBondContact O-N 3.46Å; E149-N151 VanDerWaalsContact C-N 3.26Å; E149-N151 PolarHBondContact O-N 3.47Å |
| 150 | E | 54.7 | Low | 46.4 | Very low | 65 Ų | 65 | 112 Ų | 112 | 30% | 0.304 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -71.2 | -19.4 | 173.2 | -171.9 | 175.1 | 179.4 | 0 | 0 | 112.7 | E146 L148 S336 | E146-E150 WeakPolarHBondContact O-CB 3.31Å; E146-E150 PolarHBondContact O-N 3.44Å; L148-E150 VanDerWaalsContact C-N 3.34Å; L148-E150 PolarHBondContact O-N 2.83Å; E150-S336 WeakPolarHBondContact O-CB 3.35Å; E150-S336 PolarHBondContact O-OG 3.3Å |
| 151 | N | 45.5 | Very low | 45.7 | Very low | 65 Ų | 65 | 118.1 Ų | 118.1 | 35% | 0.348 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -116.1 | -11.2 | -173.9 | -75.3 | -82.3 | 0 | 0 | 0 | 115.8 | F147 L148 E149 K334 | F147-N151 WeakPolarHBondContact O-CB 3.41Å; F147-N151 PolarHBondContact O-N 3.46Å; F147-N151 PolarHBondContact O-ND2 3.33Å; L148-N151 CarbonylContact O-C 3.52Å; L148-N151 PolarHBondContact O-N 2.97Å; L148-N151 VanDerWaalsContact O-N 3.08Å; E149-N151 VanDerWaalsContact C-N 3.26Å; E149-N151 PolarHBondContact O-N 3.47Å; N151-K334 PolarHBondContact OD1-NZ 3.47Å |
| 152 | M | 43.9 | Very low | 44.9 | Very low | 133 Ų | 133 | 114.8 Ų | 114.8 | 66% | 0.655 | 62% | 0.62 | S | S | * | * | trans | -109.5 | 107.8 | 172.6 | -66 | -174.1 | 170.7 | 0 | 0 | 109.7 | L148 P154 | L148-M152 HydrophobicContact CD2-CE 4.18Å; L148-M152 WeakPolarHBondContact O-CB 3.45Å; L148-M152 PolarHBondContact O-N 3.24Å; M152-P154 WeakPolarHBondContact O-CD 3.31Å | ||
| 153 | E | 53.1 | Low | 44 | Very low | 145 Ų | 145 | 115.3 Ų | 115.3 | 68% | 0.678 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 126.3 | 167 | -70.1 | -160.5 | 145.3 | 0 | 0 | 109.7 | G155 S335 | E153-G155 PolarHBondContact O-N 3.36Å; E153-S335 VanDerWaalsContact OE1-CB 3.27Å; E153-S335 WeakPolarHBondContact OE1-CB 3.48Å; E153-S335 PolarHBondContact OE1-OG 2.89Å |
| 154 | P | 40 | Very low | 43.1 | Very low | 125 Ų | 125 | 119.2 Ų | 119.2 | 81% | 0.812 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 128.1 | 167.8 | 28.9 | -32.4 | 0 | 0 | 0 | 109.6 | M152 V156 | M152-P154 WeakPolarHBondContact O-CD 3.31Å; P154-V156 PolarHBondContact O-N 3.36Å |
| 155 | G | 36.5 | Very low | 42.3 | Very low | 74 Ų | 74 | 124.5 Ų | 124.5 | 76% | 0.763 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -69 | 121.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | E153 | E153-G155 PolarHBondContact O-N 3.36Š|
| 156 | V | 33.7 | Very low | 41 | Very low | 137 Ų | 137 | 125.6 Ų | 125.6 | 83% | 0.83 | 69% | 0.69 | S | S | * | * | trans | 63.1 | 109.5 | 151.5 | -168.7 | 0 | 0 | 0 | 0 | 118.7 | P154 | P154-V156 PolarHBondContact O-N 3.36Š| ||
| 157 | K | 36.4 | Very low | 39.9 | Very low | 197 Ų | 197 | 129.4 Ų | 129.4 | 86% | 0.857 | 71% | 0.712 | S | S | * | * | trans | -144.5 | 134.4 | 146.9 | -68.4 | -168 | -176.9 | -173.2 | 0 | 105.8 | ||||
| 158 | E | 33 | Very low | 39.1 | Very low | 177 Ų | 177 | 130.2 Ų | 130.2 | 83% | 0.827 | 72% | 0.722 | S | S | * | * | cis | -141.5 | 176.9 | -2.8 | -56 | -174.4 | 120.5 | 0 | 0 | 108.7 | ||||
| 159 | A | 27.4 | Very low | 37.7 | Very low | 89 Ų | 89 | 131.3 Ų | 131.3 | 74% | 0.736 | 74% | 0.742 | S | S | * | * | trans | -107.2 | 127 | 165 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 160 | P | 36.2 | Very low | 36.1 | Very low | 129 Ų | 129 | 129.1 Ų | 129.1 | 84% | 0.838 | 74% | 0.743 | S | S | * | * | trans | -94.7 | 104.5 | 166 | 33.2 | -26.1 | 0 | 0 | 0 | 109.6 | ||||
| 161 | E | 32.4 | Very low | 35 | Very low | 197 Ų | 197 | 130.5 Ų | 130.5 | 92% | 0.921 | 76% | 0.76 | S | S | * | * | trans | -95.9 | 130.8 | 166.1 | -70.4 | -158.5 | 112.9 | 0 | 0 | 110.5 | ||||
| 162 | G | 29.7 | Very low | 34.5 | Very low | 55 Ų | 55 | 134.5 Ų | 134.5 | 57% | 0.567 | 78% | 0.777 | S | S | * | * | trans | -107 | 158.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 163 | N | 30.4 | Very low | 33.9 | Very low | 163 Ų | 163 | 135.3 Ų | 135.3 | 87% | 0.872 | 78% | 0.783 | S | S | * | * | trans | 56.8 | 94.3 | 152.1 | 51 | -100.8 | 0 | 0 | 0 | 119.1 | ||||
| 164 | S | 31.8 | Very low | 32.7 | Very low | 128 Ų | 128 | 133 Ų | 133 | 90% | 0.895 | 78% | 0.783 | S | S | * | * | trans | -121.3 | 158.7 | 137.7 | -171.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 165 | K | 36.8 | Very low | 32.3 | Very low | 178 Ų | 178 | 131.8 Ų | 131.8 | 77% | 0.774 | 78% | 0.783 | S | S | * | * | trans | -104.7 | 167.8 | -168.2 | -50.6 | 175.3 | 173.9 | 177.2 | 0 | 113.6 | ||||
| 166 | D | 32 | Very low | 31.9 | Very low | 132 Ų | 132 | 131.6 Ų | 131.6 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | trans | 55.4 | 107.9 | 149 | -48.3 | -35.7 | 0 | 0 | 0 | 119 | ||||
| 167 | L | 35.5 | Very low | 33.1 | Very low | 166 Ų | 166 | 130.8 Ų | 130.8 | 87% | 0.869 | 78% | 0.779 | S | S | * | * | 177.6 | 152.3 | 106.4 | -93.4 | 161.7 | 0 | 0 | 0 | 113.7 | |||||
| 168 | D | 30.1 | Very low | 32.7 | Very low | 144 Ų | 144 | 129.7 Ų | 129.7 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | trans | -46.6 | 142.2 | -178.7 | -69.3 | -110 | 0 | 0 | 0 | 118.1 | ||||
| 169 | A | 30.6 | Very low | 32.6 | Very low | 101 Ų | 101 | 130.7 Ų | 130.7 | 84% | 0.835 | 77% | 0.773 | S | S | * | * | -164.7 | 113.1 | 117.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 170 | C | 28 | Very low | 32.7 | Very low | 112 Ų | 112 | 130.5 Ų | 130.5 | 76% | 0.757 | 77% | 0.766 | S | S | * | * | trans | -15 | 143.1 | 159.4 | -80.9 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 171 | S | 32.1 | Very low | 32.5 | Very low | 94 Ų | 94 | 131.5 Ų | 131.5 | 66% | 0.657 | 76% | 0.759 | S | S | * | * | trans | 73.3 | 146.8 | 134 | -70.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 172 | Q | 34.9 | Very low | 32.4 | Very low | 148 Ų | 148 | 129.4 Ų | 129.4 | 69% | 0.692 | 75% | 0.753 | S | S | * | * | cis | -170.5 | 159.6 | -8.1 | -121.5 | 177.5 | 80.8 | 0 | 0 | 108.6 | ||||
| 173 | L | 31.5 | Very low | 32.7 | Very low | 150 Ų | 150 | 135.2 Ų | 135.2 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | trans | 65.9 | 156.7 | 157.4 | -60.5 | 162 | 0 | 0 | 0 | 116.4 | ||||
| 174 | S | 28.1 | Very low | 33.3 | Very low | 98 Ų | 98 | 133.5 Ų | 133.5 | 69% | 0.685 | 76% | 0.763 | S | S | * | * | cis | -166.7 | 173.2 | -21.2 | 53.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 175 | A | 30.3 | Very low | 33.1 | Very low | 98 Ų | 98 | 130.5 Ų | 130.5 | 81% | 0.81 | 75% | 0.752 | S | S | * | * | trans | 66.3 | 127.1 | 158.5 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 176 | G | 29 | Very low | 32.9 | Very low | 71 Ų | 71 | 127.3 Ų | 127.3 | 73% | 0.732 | 75% | 0.752 | S | S | * | * | trans | -91.3 | -138 | 160.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 177 | P | 58.3 | Low | 32.9 | Very low | 119 Ų | 119 | 126.9 Ų | 126.9 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | -121.5 | 158.8 | -99.6 | 37.9 | -30.3 | 0 | 0 | 0 | 112.8 | |||||
| 178 | H | 28.7 | Very low | 32.6 | Very low | 175 Ų | 175 | 122.7 Ų | 122.7 | 81% | 0.81 | 76% | 0.757 | S | S | * | * | trans | -160.7 | 132.1 | 158 | -118.2 | -82.7 | 0 | 0 | 0 | 116.9 | ||||
| 179 | R | 30.4 | Very low | 32.8 | Very low | 198 Ų | 198 | 127.5 Ų | 127.5 | 75% | 0.747 | 76% | 0.764 | S | S | * | * | trans | 44.4 | 112.7 | 142.8 | -86.4 | -171.5 | 159.8 | -179.8 | -8.1 | 123.4 | ||||
| 180 | S | 29.8 | Very low | 32.8 | Very low | 84 Ų | 84 | 132 Ų | 132 | 59% | 0.587 | 77% | 0.768 | S | S | * | * | 46.6 | 159.1 | 106.3 | 70.2 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 181 | H | 32.1 | Very low | 32.8 | Very low | 151 Ų | 151 | 137.1 Ų | 137.1 | 70% | 0.699 | 77% | 0.771 | S | S | * | * | trans | 94.8 | 140.4 | 173.9 | -53.8 | -71.2 | 0 | 0 | 0 | 114.7 | ||||
| 182 | L | 30.1 | Very low | 32.6 | Very low | 153 Ų | 153 | 139 Ų | 139 | 80% | 0.801 | 78% | 0.783 | S | S | * | * | cis | -162.5 | 163.9 | -12.3 | -111.7 | 167.3 | 0 | 0 | 0 | 108.8 | ||||
| 183 | H | 36.1 | Very low | 32.4 | Very low | 177 Ų | 177 | 137 Ų | 137 | 82% | 0.819 | 79% | 0.785 | S | S | * | * | trans | -71.8 | 154.4 | 167.2 | -83.2 | -83.4 | 0 | 0 | 0 | 111.9 | ||||
| 184 | P | 42.4 | Very low | 33.3 | Very low | 126 Ų | 126 | 135.6 Ų | 135.6 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | -137 | -175.5 | 94.8 | 18.2 | 4.9 | 0 | 0 | 0 | 111.8 | |||||
| 185 | G | 28.8 | Very low | 34.1 | Very low | 65 Ų | 65 | 136.6 Ų | 136.6 | 67% | 0.67 | 79% | 0.789 | S | S | * | * | cis | 142 | 106.4 | -3.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 186 | S | 32.8 | Very low | 35 | Very low | 111 Ų | 111 | 137.7 Ų | 137.7 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | trans | 61.3 | 128 | 155 | 61.6 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 187 | S | 31.7 | Very low | 35 | Very low | 124 Ų | 124 | 138.3 Ų | 138.3 | 87% | 0.867 | 79% | 0.794 | S | S | * | * | trans | 78.9 | 148.5 | 134.3 | 76.7 | 0 | 0 | 0 | 0 | 121 | ||||
| 188 | G | 29.9 | Very low | 33.6 | Very low | 78 Ų | 78 | 136.6 Ų | 136.6 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | 139.6 | 85.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 189 | R | 33.5 | Very low | 33.7 | Very low | 245 Ų | 245 | 133.2 Ų | 133.2 | 93% | 0.925 | 80% | 0.801 | S | S | * | * | trans | -78.4 | 154.7 | 159.6 | -59.9 | 171.5 | 179.5 | 175.6 | -1.5 | 107.7 | ||||
| 190 | E | 29.8 | Very low | 33.7 | Very low | 196 Ų | 196 | 129.4 Ų | 129.4 | 92% | 0.916 | 81% | 0.805 | S | S | * | * | trans | -177 | 166.4 | 139.2 | -94.2 | -77.2 | 68.9 | 0 | 0 | 109.4 | ||||
| 191 | R | 29.5 | Very low | 33.7 | Very low | 219 Ų | 219 | 129.9 Ų | 129.9 | 83% | 0.826 | 81% | 0.813 | S | S | * | * | trans | -113.5 | 136 | -160.2 | 174.8 | -168.2 | -62.6 | -112.1 | -0.3 | 111.7 | ||||
| 192 | C | 26.6 | Very low | 33.6 | Very low | 133 Ų | 133 | 126.9 Ų | 126.9 | 90% | 0.899 | 82% | 0.823 | S | S | * | * | trans | -118.6 | 135.5 | 169.6 | -74.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 193 | S | 30.7 | Very low | 33.6 | Very low | 105 Ų | 105 | 123.2 Ų | 123.2 | 73% | 0.734 | 82% | 0.822 | S | S | * | * | trans | -112.7 | 157.9 | 167.4 | -73.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 194 | P | 51.6 | Low | 33.4 | Very low | 121 Ų | 121 | 122 Ų | 122 | 79% | 0.786 | 83% | 0.827 | S | S | * | * | trans | -77.1 | 179 | -175.1 | 37 | -39.4 | 0 | 0 | 0 | 111.5 | ||||
| 195 | P | 44.1 | Very low | 32.9 | Very low | 119 Ų | 119 | 125.1 Ų | 125.1 | 77% | 0.773 | 83% | 0.831 | S | S | * | * | cis | -148.3 | -144 | 36.9 | 45.6 | -21.5 | 0 | 0 | 0 | 112.4 | ||||
| 196 | P | 48.5 | Very low | 33 | Very low | 122 Ų | 122 | 125.2 Ų | 125.2 | 79% | 0.792 | 83% | 0.832 | S | S | * | * | cis | -127.6 | -175.2 | -16.8 | 36.5 | -15.9 | 0 | 0 | 0 | 114.8 | ||||
| 197 | G | 30.5 | Very low | 33.3 | Very low | 83 Ų | 83 | 126.8 Ų | 126.8 | 86% | 0.856 | 84% | 0.839 | S | S | * | * | trans | -95.7 | 179.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 198 | G | 28.8 | Very low | 33.3 | Very low | 84 Ų | 84 | 124.4 Ų | 124.4 | 87% | 0.866 | 84% | 0.835 | S | S | * | * | trans | -160.6 | 160.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 199 | A | 30.6 | Very low | 33.4 | Very low | 103 Ų | 103 | 124.5 Ų | 124.5 | 85% | 0.851 | 84% | 0.836 | S | S | * | * | trans | -123 | 160.1 | -156.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 200 | S | 29.1 | Very low | 33.3 | Very low | 119 Ų | 119 | 116.5 Ų | 116.5 | 83% | 0.832 | 83% | 0.829 | S | S | * | * | trans | 95.6 | 147.7 | 140.1 | -146.7 | 0 | 0 | 0 | 0 | 122 | ||||
| 201 | A | 31 | Very low | 33.6 | Very low | 93 Ų | 93 | 113.1 Ų | 113.1 | 77% | 0.769 | 82% | 0.824 | S | S | * | * | trans | 73.9 | 103.4 | 151 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 202 | G | 28.7 | Very low | 33.9 | Very low | 88 Ų | 88 | 108.7 Ų | 108.7 | 91% | 0.907 | 82% | 0.822 | S | S | * | * | 73.3 | 106.7 | 110.6 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 203 | G | 30.4 | Very low | 34.6 | Very low | 76 Ų | 76 | 108.3 Ų | 108.3 | 78% | 0.784 | 82% | 0.818 | S | S | * | * | trans | -149.3 | 139.6 | 167 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 204 | V | 32.8 | Very low | 35 | Very low | 152 Ų | 152 | 111.5 Ų | 111.5 | 92% | 0.921 | 83% | 0.827 | S | S | * | * | trans | -81.1 | 138 | -166.2 | 177.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 205 | Q | 30.8 | Very low | 34.4 | Very low | 191 Ų | 191 | 108 Ų | 108 | 89% | 0.893 | 81% | 0.812 | S | S | * | * | trans | -84.5 | 129.7 | 170.5 | -68.6 | 176.7 | 21.8 | 0 | 0 | 111.3 | ||||
| 206 | G | 31.6 | Very low | 34.1 | Very low | 68 Ų | 68 | 108.8 Ų | 108.8 | 70% | 0.701 | 82% | 0.817 | S | S | * | * | trans | -104.2 | 148.8 | 159.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 207 | P | 39.8 | Very low | 33.7 | Very low | 143 Ų | 143 | 109.2 Ų | 109.2 | 93% | 0.929 | 81% | 0.812 | S | S | * | * | trans | -83.5 | 118.8 | -178.4 | 32.2 | -32 | 0 | 0 | 0 | 111.1 | ||||
| 208 | G | 32 | Very low | 33.9 | Very low | 74 Ų | 74 | 110.7 Ų | 110.7 | 76% | 0.763 | 81% | 0.806 | S | S | * | * | trans | -148.9 | 124.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 209 | G | 31.9 | Very low | 34.4 | Very low | 80 Ų | 80 | 111.2 Ų | 111.2 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | 57.1 | 91.5 | 158.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 210 | G | 31.1 | Very low | 34.6 | Very low | 77 Ų | 77 | 112.2 Ų | 112.2 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 137.1 | 166.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 211 | P | 34.9 | Very low | 34.9 | Very low | 125 Ų | 125 | 111.5 Ų | 111.5 | 81% | 0.812 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -80 | 140.1 | 172.6 | 31.3 | -33.1 | 0 | 0 | 0 | 111.9 | ||
| 212 | T | 36.5 | Very low | 35.2 | Very low | 127 Ų | 127 | 112.6 Ų | 112.6 | 78% | 0.779 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 127 | 172.3 | 45.5 | 0 | 0 | 0 | 0 | 111.4 | D214 | T212-D214 PolarHBondContact O-N 3.02Š|
| 213 | P | 41.3 | Very low | 35.5 | Very low | 124 Ų | 124 | 113.7 Ų | 113.7 | 81% | 0.805 | 74% | 0.742 | S | S | * | * | trans | -94.2 | 84.3 | 178.9 | 35.6 | -32.3 | 0 | 0 | 0 | 112.1 | G215 | P213-G215 PolarHBondContact O-N 3.22Š| ||
| 214 | D | 39 | Very low | 35.6 | Very low | 173 Ų | 173 | 115 Ų | 115 | 93% | 0.925 | 73% | 0.728 | S | S | * | * | trans | -84.6 | 84.7 | 161.4 | -102 | -63.5 | 0 | 0 | 0 | 109.5 | T212 | T212-D214 PolarHBondContact O-N 3.02Š| ||
| 215 | G | 39.1 | Very low | 35.6 | Very low | 46 Ų | 46 | 113.6 Ų | 113.6 | 47% | 0.474 | 72% | 0.722 | S | S | . | * | S | Bend | trans | -159.3 | 157.8 | 177 | 0 | 0 | 0 | 0 | 0 | 110.4 | P213 I217 | P213-G215 PolarHBondContact O-N 3.22Å; G215-I217 PolarHBondContact O-N 3.41Å; G215-I217 VanDerWaalsContact O-N 3.1Å |
| 216 | P | 37.8 | Very low | 35.8 | Very low | 136 Ų | 136 | 108 Ų | 108 | 88% | 0.883 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 116.9 | -175.4 | 24.2 | -33.3 | 0 | 0 | 0 | 111.2 | ||
| 217 | I | 40.1 | Very low | 35.9 | Very low | 132 Ų | 132 | 110.7 Ų | 110.7 | 68% | 0.677 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 124.1 | -175.5 | -61.6 | 164.8 | 0 | 0 | 0 | 109.9 | G215 V219 | G215-I217 PolarHBondContact O-N 3.41Å; G215-I217 VanDerWaalsContact O-N 3.1Å; I217-V219 PolarHBondContact O-N 3.23Å |
| 218 | P | 35.1 | Very low | 35.7 | Very low | 114 Ų | 114 | 108.9 Ų | 108.9 | 74% | 0.74 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -70 | 121.9 | 177.5 | 27.7 | -33.4 | 0 | 0 | 0 | 110.8 | L220 | P218-L220 PolarHBondContact O-N 3.45Š|
| 219 | V | 38.3 | Very low | 35.7 | Very low | 95 Ų | 95 | 114.8 Ų | 114.8 | 58% | 0.576 | 70% | 0.696 | S | S | * | * | trans | -77.4 | 103.1 | 173.1 | -177.4 | 0 | 0 | 0 | 0 | 108.9 | I217 L221 V253 | I217-V219 PolarHBondContact O-N 3.23Å; V219-L221 HydrophobicContact CG1-CD1 4.06Å; V219-L221 PolarHBondContact O-N 3.5Å; V219-V253 HydrophobicContact CG1-CG1 4.18Å | ||
| 220 | L | 34.6 | Very low | 35.8 | Very low | 123 Ų | 123 | 119.2 Ų | 119.2 | 64% | 0.644 | 70% | 0.695 | S | S | * | * | trans | -80.4 | 104.2 | 177 | -161.3 | 78.6 | 0 | 0 | 0 | 110.2 | P218 | P218-L220 PolarHBondContact O-N 3.45Š| ||
| 221 | L | 36.1 | Very low | 35.7 | Very low | 104 Ų | 104 | 124.8 Ų | 124.8 | 55% | 0.545 | 70% | 0.701 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -78.3 | 122.1 | 165.3 | -100.9 | 77.3 | 0 | 0 | 0 | 109.3 | V219 L251 | V219-L221 HydrophobicContact CG1-CD1 4.06Å; V219-L221 PolarHBondContact O-N 3.5Å; L221-L251 HydrophobicContact CD2-CD1 4.44Å; L221-L251 HydrophobicContact CD2-CD2 4.17Å |
| 222 | Q | 37.3 | Very low | 35.7 | Very low | 116 Ų | 116 | 126.8 Ų | 126.8 | 54% | 0.542 | 70% | 0.704 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -124.5 | 114.5 | 174.7 | -153.3 | 178.2 | 18.5 | 0 | 0 | 109.5 | ||
| 223 | I | 36.1 | Very low | 35.4 | Very low | 112 Ų | 112 | 124 Ų | 124 | 57% | 0.574 | 70% | 0.701 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -94.8 | 114.9 | -180 | -52.1 | -179.3 | 0 | 0 | 0 | 107.8 | L251 | I223-L251 HydrophobicContact CD1-CD1 4.13Å; I223-L251 HydrophobicContact CG1-CD1 3.93Å |
| 224 | Q | 32 | Very low | 35.1 | Very low | 103 Ų | 103 | 125.1 Ų | 125.1 | 48% | 0.481 | 71% | 0.706 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.4 | 130.1 | 173.9 | -67.4 | -167.3 | 58.6 | 0 | 0 | 110.3 | V226 | Q224-V226 PolarHBondContact O-N 2.72Å |
| 225 | P | 32.4 | Very low | 34.8 | Very low | 123 Ų | 123 | 119.9 Ų | 119.9 | 80% | 0.799 | 69% | 0.692 | S | S | * | * | trans | -75.8 | 117.1 | 173.6 | 30.1 | -31.8 | 0 | 0 | 0 | 110 | ||||
| 226 | V | 35.3 | Very low | 34.6 | Very low | 73 Ų | 73 | 124.4 Ų | 124.4 | 44% | 0.442 | 71% | 0.713 | S | S | . | * | trans | -111.8 | 127 | 177.3 | -178 | 0 | 0 | 0 | 0 | 109.3 | Q224 V228 | Q224-V226 PolarHBondContact O-N 2.72Å; V226-V228 PolarHBondContact O-N 2.4Å | ||
| 227 | P | 33.3 | Very low | 34.2 | Very low | 125 Ų | 125 | 122.5 Ų | 122.5 | 81% | 0.812 | 71% | 0.709 | S | S | * | * | trans | -73.9 | 107.9 | 173.9 | 29.4 | -32.3 | 0 | 0 | 0 | 110.2 | ||||
| 228 | V | 35.1 | Very low | 33.7 | Very low | 105 Ų | 105 | 121.9 Ų | 121.9 | 64% | 0.636 | 72% | 0.716 | S | S | * | * | trans | -83.2 | 116.2 | 173.9 | -178.3 | 0 | 0 | 0 | 0 | 109.3 | V226 | V226-V228 PolarHBondContact O-N 2.4Š| ||
| 229 | K | 32.3 | Very low | 33.8 | Very low | 198 Ų | 198 | 123 Ų | 123 | 86% | 0.861 | 72% | 0.723 | S | S | * | * | trans | -81.9 | 114.7 | 170.6 | -163.2 | 176.2 | -176 | -176.2 | 0 | 108.3 | E231 | K229-E231 PolarHBondContact O-N 3.08Š| ||
| 230 | Q | 34.5 | Very low | 33.8 | Very low | 172 Ų | 172 | 121.8 Ų | 121.8 | 80% | 0.804 | 73% | 0.73 | S | S | * | * | trans | -64.8 | 120 | 174.7 | -75.8 | 177.5 | -32.4 | 0 | 0 | 109.8 | ||||
| 231 | E | 29.1 | Very low | 33.6 | Very low | 194 Ų | 194 | 125 Ų | 125 | 91% | 0.907 | 74% | 0.742 | S | S | * | * | trans | -81.5 | 124.1 | 158.7 | -74 | -140.7 | 90.2 | 0 | 0 | 109 | K229 G233 | K229-E231 PolarHBondContact O-N 3.08Å; E231-G233 PolarHBondContact O-N 3.3Å; E231-G233 VanDerWaalsContact O-N 3.14Å | ||
| 232 | L | 34 | Very low | 33.3 | Very low | 167 Ų | 167 | 124 Ų | 124 | 87% | 0.874 | 75% | 0.749 | S | S | * | * | trans | -80.4 | 93.7 | -171.8 | -176.8 | 65.6 | 0 | 0 | 0 | 110.4 | T234 | L232-T234 PolarHBondContact O-N 3.41Š| ||
| 233 | G | 31.2 | Very low | 33.2 | Very low | 70 Ų | 70 | 123.8 Ų | 123.8 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | trans | -64.4 | 121.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | E231 G235 | E231-G233 PolarHBondContact O-N 3.3Å; E231-G233 VanDerWaalsContact O-N 3.14Å; G233-G235 PolarHBondContact O-N 3.09Å | ||
| 234 | T | 34.6 | Very low | 33.3 | Very low | 147 Ų | 147 | 126.2 Ų | 126.2 | 90% | 0.902 | 77% | 0.766 | S | S | * | * | trans | -62.5 | 123.7 | -170.9 | 48.8 | 0 | 0 | 0 | 0 | 114.7 | L232 | L232-T234 PolarHBondContact O-N 3.41Š| ||
| 235 | G | 32.4 | Very low | 33.5 | Very low | 62 Ų | 62 | 128.8 Ų | 128.8 | 64% | 0.639 | 78% | 0.784 | S | S | * | * | trans | -151.8 | 144.7 | 162 | 0 | 0 | 0 | 0 | 0 | 109.4 | G233 | G233-G235 PolarHBondContact O-N 3.09Š| ||
| 236 | P | 35.2 | Very low | 33.7 | Very low | 142 Ų | 142 | 128.4 Ų | 128.4 | 92% | 0.922 | 78% | 0.779 | S | S | * | * | trans | -68.7 | 137.3 | -169.7 | 27.3 | -34.3 | 0 | 0 | 0 | 112.3 | ||||
| 237 | A | 29.2 | Very low | 33.6 | Very low | 95 Ų | 95 | 134.7 Ų | 134.7 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | -81.4 | 151.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 238 | S | 28.8 | Very low | 34 | Very low | 120 Ų | 120 | 132.2 Ų | 132.2 | 84% | 0.839 | 78% | 0.782 | S | S | * | * | trans | -127.8 | 138 | 147.1 | -76.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 239 | P | 37.9 | Very low | 34.1 | Very low | 136 Ų | 136 | 130.4 Ų | 130.4 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | trans | -89.8 | 144 | -162.6 | 34.7 | -34.9 | 0 | 0 | 0 | 112.2 | ||||
| 240 | G | 38.7 | Very low | 34.9 | Very low | 70 Ų | 70 | 123.6 Ų | 123.6 | 72% | 0.722 | 75% | 0.75 | S | S | * | * | trans | 164.9 | 8.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 241 | Q | 30.9 | Very low | 35.5 | Very low | 190 Ų | 190 | 118.2 Ų | 118.2 | 89% | 0.888 | 73% | 0.726 | S | S | * | * | trans | -157.9 | 137.9 | 167.6 | -116.2 | 155.4 | -19.3 | 0 | 0 | 112.2 | ||||
| 242 | A | 29.5 | Very low | 36.5 | Very low | 84 Ų | 84 | 111.1 Ų | 111.1 | 69% | 0.694 | 69% | 0.694 | S | S | * | * | trans | -73.7 | 139.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110 | E244 | A242-E244 PolarHBondContact O-N 3.13Š| ||
| 243 | P | 34.5 | Very low | 37.4 | Very low | 112 Ų | 112 | 104.2 Ų | 104.2 | 73% | 0.727 | 66% | 0.659 | S | S | * | * | trans | -70.8 | 102.3 | 173.9 | 28.9 | -32.6 | 0 | 0 | 0 | 109.5 | ||||
| 244 | E | 38.2 | Very low | 37.9 | Very low | 162 Ų | 162 | 104.1 Ų | 104.1 | 76% | 0.757 | 64% | 0.642 | S | S | * | * | trans | -58.4 | 138.7 | 167.4 | 52.3 | -164.9 | 113.1 | 0 | 0 | 110.9 | A242 V246 | A242-E244 PolarHBondContact O-N 3.13Å; E244-V246 VanDerWaalsContact C-N 3.33Å; E244-V246 PolarHBondContact O-N 3.12Å | ||
| 245 | N | 36.1 | Very low | 38.5 | Very low | 157 Ų | 157 | 101.5 Ų | 101.5 | 84% | 0.84 | 62% | 0.621 | S | S | * | * | trans | -73.8 | 78.1 | -166.9 | -59.5 | -80.5 | 0 | 0 | 0 | 112.2 | K247 | N245-K247 PolarHBondContact O-N 3.42Š| ||
| 246 | V | 37 | Very low | 38.8 | Very low | 115 Ų | 115 | 106.9 Ų | 106.9 | 70% | 0.697 | 63% | 0.63 | S | S | * | * | trans | -67.1 | 101.1 | -179.7 | -173.9 | 0 | 0 | 0 | 0 | 110.8 | E244 V248 | E244-V246 VanDerWaalsContact C-N 3.33Å; E244-V246 PolarHBondContact O-N 3.12Å; V246-V248 HydrophobicContact CG1-CG2 3.88Å; V246-V248 PolarHBondContact O-N 2.84Å | ||
| 247 | K | 33.2 | Very low | 39.5 | Very low | 205 Ų | 205 | 103.1 Ų | 103.1 | 89% | 0.891 | 62% | 0.617 | S | S | * | * | trans | -72.8 | 91.3 | 169.9 | -66.8 | -179.4 | -178.6 | 177.8 | 0 | 109.9 | N245 A249 | N245-K247 PolarHBondContact O-N 3.42Å; K247-A249 PolarHBondContact O-N 3.33Å | ||
| 248 | V | 41.8 | Very low | 40.1 | Very low | 73 Ų | 73 | 104.8 Ų | 104.8 | 44% | 0.442 | 61% | 0.609 | S | S | . | * | trans | -77.6 | 113.9 | 173.3 | -175.1 | 0 | 0 | 0 | 0 | 109.4 | V246 | V246-V248 HydrophobicContact CG1-CG2 3.88Å; V246-V248 PolarHBondContact O-N 2.84Å | ||
| 249 | A | 37.2 | Very low | 40.8 | Very low | 67 Ų | 67 | 102.7 Ų | 102.7 | 55% | 0.554 | 59% | 0.591 | S | S | * | * | trans | -78.1 | 124 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | K247 | K247-A249 PolarHBondContact O-N 3.33Š| ||
| 250 | Q | 47.9 | Very low | 41.4 | Very low | 55 Ų | 55 | 98.6 Ų | 98.6 | 26% | 0.257 | 56% | 0.559 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.1 | 123.7 | 175 | -168.3 | 154.1 | 79.7 | 0 | 0 | 109.3 | L252 A261 | Q250-L252 HydrophobicContact CB-CD1 4.14Å; Q250-L252 HydrophobicContact CG-CD1 3.93Å; Q250-L252 WeakPolarHBondContact O-CD1 3.48Å; Q250-L252 PolarHBondContact O-N 3.19Å; Q250-A261 HydrophobicContact CG-CB 4.23Å |
| 251 | L | 49 | Very low | 42 | Very low | 59 Ų | 59 | 96.2 Ų | 96.2 | 31% | 0.309 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 114.9 | 178.7 | -153.5 | 83.9 | 0 | 0 | 0 | 108.9 | L221 I223 V253 L262 | L221-L251 HydrophobicContact CD2-CD1 4.44Å; L221-L251 HydrophobicContact CD2-CD2 4.17Å; I223-L251 HydrophobicContact CD1-CD1 4.13Å; I223-L251 HydrophobicContact CG1-CD1 3.93Å; L251-V253 HydrophobicContact CD2-CG2 4.17Å; L251-L262 HydrophobicContact CB-CB 4.25Å; L251-L262 HydrophobicContact CB-CD1 4.32Å; L251-L262 HydrophobicContact CD2-CD1 3.88Å; L251-L262 PolarHBondContact O-N 3.44Å |
| 252 | L | 49.6 | Very low | 43.1 | Very low | 45 Ų | 45 | 89.6 Ų | 89.6 | 24% | 0.236 | 50% | 0.503 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 126.2 | 172.9 | -78.4 | 71.2 | 0 | 0 | 0 | 108.4 | Q250 T259 F260 A261 | Q250-L252 HydrophobicContact CB-CD1 4.14Å; Q250-L252 HydrophobicContact CG-CD1 3.93Å; Q250-L252 WeakPolarHBondContact O-CD1 3.48Å; Q250-L252 PolarHBondContact O-N 3.19Å; L252-T259 HydrophobicContact CB-CG2 4.03Å; L252-T259 HydrophobicContact CD2-CG2 3.8Å; L252-T259 HydrophobicContact CG-CG2 4.17Å; L252-F260 WeakPolarHBondContact CA-O 3.3Å; L252-A261 HydrophobicContact CG-CB 4.45Å |
| 253 | V | 51.5 | Low | 43.9 | Very low | 22 Ų | 22 | 90 Ų | 90 | 13% | 0.133 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 122.8 | 177.9 | -173 | 0 | 0 | 0 | 0 | 107.9 | V219 L251 I255 F260 L262 | V219-V253 HydrophobicContact CG1-CG1 4.18Å; L251-V253 HydrophobicContact CD2-CG2 4.17Å; V253-I255 HydrophobicContact CG1-CD1 4.23Å; V253-I255 HydrophobicContact CG1-CG1 4Å; V253-F260 PolarHBondContact N-O 2.85Å; V253-F260 PolarHBondContact O-N 3.24Å; V253-L262 HydrophobicContact CG2-CD1 4.01Å; V253-L262 HydrophobicContact CG2-CG 4.28Å |
| 254 | N | 42.8 | Very low | 44.4 | Very low | 69 Ų | 69 | 89.1 Ų | 89.1 | 37% | 0.369 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 124 | 174.6 | -171.3 | -19.7 | 0 | 0 | 0 | 109.6 | G257 Q258 | N254-G257 VanDerWaalsContact OD1-CA 3.25Å; N254-G257 WeakPolarHBondContact OD1-CA 3.13Å; N254-G257 PolarHBondContact OD1-N 3.32Å; N254-G257 VanDerWaalsContact OD1-N 3.12Å; N254-Q258 WeakPolarHBondContact CA-O 3.35Å; N254-Q258 PolarHBondContact OD1-N 3.04Å; N254-Q258 PolarHBondContact OD1-O 3.06Å |
| 255 | I | 46.2 | Very low | 44.3 | Very low | 91 Ų | 91 | 88.6 Ų | 88.6 | 47% | 0.467 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 123.6 | 174.7 | -53 | 173.6 | 0 | 0 | 0 | 107 | V253 G257 Q258 F260 | V253-I255 HydrophobicContact CG1-CD1 4.23Å; V253-I255 HydrophobicContact CG1-CG1 4Å; I255-G257 PolarHBondContact O-N 3.48Å; I255-Q258 PolarHBondContact N-O 3Å; I255-Q258 PolarHBondContact O-N 2.8Å; I255-F260 HydrophobicContact CB-CD2 4.48Å; I255-F260 HydrophobicContact CB-CE2 4.09Å |
| 256 | Q | 39.2 | Very low | 44.4 | Very low | 175 Ų | 175 | 87.8 Ų | 87.8 | 82% | 0.818 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 33.3 | 179 | -62.7 | 175.2 | -10.4 | 0 | 0 | 114.4 | Q258 | Q256-Q258 VanDerWaalsContact C-N 3.26Å; Q256-Q258 PolarHBondContact O-N 2.88Å |
| 257 | G | 51 | Low | 44 | Very low | 63 Ų | 63 | 87 Ų | 87 | 65% | 0.649 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.7 | 0.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | N254 I255 | N254-G257 VanDerWaalsContact OD1-CA 3.25Å; N254-G257 WeakPolarHBondContact OD1-CA 3.13Å; N254-G257 PolarHBondContact OD1-N 3.32Å; N254-G257 VanDerWaalsContact OD1-N 3.12Å; I255-G257 PolarHBondContact O-N 3.48Å |
| 258 | Q | 40.4 | Very low | 43.8 | Very low | 130 Ų | 130 | 81.9 Ų | 81.9 | 61% | 0.607 | 47% | 0.472 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 129.1 | 171.4 | -66.8 | -170.2 | -10.9 | 0 | 0 | 110.7 | N254 I255 Q256 F260 | N254-Q258 WeakPolarHBondContact CA-O 3.35Å; N254-Q258 PolarHBondContact OD1-N 3.04Å; N254-Q258 PolarHBondContact OD1-O 3.06Å; I255-Q258 PolarHBondContact N-O 3Å; I255-Q258 PolarHBondContact O-N 2.8Å; Q256-Q258 VanDerWaalsContact C-N 3.26Å; Q256-Q258 PolarHBondContact O-N 2.88Å; Q258-F260 HydrophobicContact CB-CE2 3.67Å; Q258-F260 HydrophobicContact CB-CZ 3.78Å; Q258-F260 VanDerWaalsContact O-CD2 3.3Å; Q258-F260 WeakPolarHBondContact O-CD2 3.44Å; Q258-F260 VanDerWaalsContact O-CE2 3.29Å; Q258-F260 WeakPolarHBondContact O-CE2 3.26Å |
| 259 | T | 44.6 | Very low | 43.3 | Very low | 76 Ų | 76 | 84.1 Ų | 84.1 | 47% | 0.466 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 115.8 | -178.5 | -52.4 | 0 | 0 | 0 | 0 | 110.6 | L252 | L252-T259 HydrophobicContact CB-CG2 4.03Å; L252-T259 HydrophobicContact CD2-CG2 3.8Å; L252-T259 HydrophobicContact CG-CG2 4.17Å |
| 260 | F | 50.2 | Low | 43.2 | Very low | 50 Ų | 50 | 85.7 Ų | 85.7 | 22% | 0.219 | 50% | 0.498 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 123.3 | 179.2 | -58.2 | -88.5 | 0 | 0 | 0 | 110 | L252 V253 I255 Q258 | L252-F260 WeakPolarHBondContact CA-O 3.3Å; V253-F260 PolarHBondContact N-O 2.85Å; V253-F260 PolarHBondContact O-N 3.24Å; I255-F260 HydrophobicContact CB-CD2 4.48Å; I255-F260 HydrophobicContact CB-CE2 4.09Å; Q258-F260 HydrophobicContact CB-CE2 3.67Å; Q258-F260 HydrophobicContact CB-CZ 3.78Å; Q258-F260 VanDerWaalsContact O-CD2 3.3Å; Q258-F260 WeakPolarHBondContact O-CD2 3.44Å; Q258-F260 VanDerWaalsContact O-CE2 3.29Å; Q258-F260 WeakPolarHBondContact O-CE2 3.26Å |
| 261 | A | 52.2 | Low | 42.6 | Very low | 21 Ų | 21 | 90.1 Ų | 90.1 | 17% | 0.174 | 52% | 0.523 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 120.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q250 L252 V263 I286 | Q250-A261 HydrophobicContact CG-CB 4.23Å; L252-A261 HydrophobicContact CG-CB 4.45Å; A261-V263 PolarHBondContact O-N 3.07Å; A261-I286 HydrophobicContact CB-CD1 3.84Å |
| 262 | L | 53 | Low | 41.9 | Very low | 50 Ų | 50 | 92.6 Ų | 92.6 | 26% | 0.262 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 105.6 | 174.8 | -56.7 | -172.1 | 0 | 0 | 0 | 109.7 | L251 V253 I281 | L251-L262 HydrophobicContact CB-CB 4.25Å; L251-L262 HydrophobicContact CB-CD1 4.32Å; L251-L262 HydrophobicContact CD2-CD1 3.88Å; L251-L262 PolarHBondContact O-N 3.44Å; V253-L262 HydrophobicContact CG2-CD1 4.01Å; V253-L262 HydrophobicContact CG2-CG 4.28Å; L262-I281 HydrophobicContact CD1-CD1 4.32Å; L262-I281 HydrophobicContact CD2-CG2 3.78Å |
| 263 | V | 47.2 | Very low | 41.4 | Very low | 93 Ų | 93 | 98.7 Ų | 98.7 | 56% | 0.564 | 57% | 0.569 | S | S | * | * | trans | -89.7 | 121.2 | 172 | -175 | 0 | 0 | 0 | 0 | 108.9 | A261 Q265 | A261-V263 PolarHBondContact O-N 3.07Å; V263-Q265 PolarHBondContact O-N 3.31Å | ||
| 264 | P | 45 | Very low | 40.7 | Very low | 94 Ų | 94 | 102.8 Ų | 102.8 | 61% | 0.61 | 59% | 0.59 | S | S | * | * | trans | -69.7 | 113.7 | 174.2 | 27.4 | -32.4 | 0 | 0 | 0 | 110.3 | ||||
| 265 | Q | 35.8 | Very low | 40.2 | Very low | 151 Ų | 151 | 104.6 Ų | 104.6 | 71% | 0.706 | 61% | 0.606 | S | S | * | * | trans | -86.6 | 123.7 | 173.7 | -68.6 | -73.3 | 13.4 | 0 | 0 | 110.3 | V263 | V263-Q265 PolarHBondContact O-N 3.31Š| ||
| 266 | V | 37 | Very low | 39.8 | Very low | 140 Ų | 140 | 106 Ų | 106 | 85% | 0.848 | 62% | 0.623 | S | S | * | * | trans | -84.3 | 113 | 171.4 | -179.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 267 | V | 29.2 | Very low | 39.9 | Very low | 97 Ų | 97 | 106.9 Ų | 106.9 | 59% | 0.588 | 63% | 0.625 | S | S | * | * | trans | -106 | 122.7 | -179.4 | -157.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 268 | P | 28.8 | Very low | 38.9 | Very low | 99 Ų | 99 | 112.2 Ų | 112.2 | 64% | 0.643 | 63% | 0.63 | S | S | * | * | trans | -66 | 138.1 | 179.7 | 25.1 | -32.7 | 0 | 0 | 0 | 111.8 | S270 | P268-S270 PolarHBondContact O-N 2.81Š| ||
| 269 | S | 31.7 | Very low | 38.6 | Very low | 119 Ų | 119 | 112.2 Ų | 112.2 | 83% | 0.832 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -71.8 | 6.1 | -159.7 | -46.1 | 0 | 0 | 0 | 0 | 117 | ||
| 270 | S | 34.9 | Very low | 38 | Very low | 100 Ų | 100 | 119.6 Ų | 119.6 | 70% | 0.699 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -86.3 | -3.9 | -168.6 | 49.3 | 0 | 0 | 0 | 0 | 115.8 | P268 | P268-S270 PolarHBondContact O-N 2.81Š|
| 271 | N | 34.7 | Very low | 37.4 | Very low | 148 Ų | 148 | 122.5 Ų | 122.5 | 79% | 0.791 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -133.5 | 20.6 | -175.8 | -94.5 | -70.8 | 0 | 0 | 0 | 115.8 | ||
| 272 | L | 35.7 | Very low | 36.4 | Very low | 111 Ų | 111 | 125.1 Ų | 125.1 | 58% | 0.581 | 70% | 0.696 | S | S | * | * | trans | -121 | 88.6 | 179.9 | -70.3 | 174.1 | 0 | 0 | 0 | 112.6 | L274 | L272-L274 HydrophobicContact CD2-CD1 4.38Å; L272-L274 PolarHBondContact O-N 3.07Å | ||
| 273 | N | 38.6 | Very low | 35.6 | Very low | 174 Ų | 174 | 127.8 Ų | 127.8 | 93% | 0.93 | 72% | 0.717 | S | S | * | * | trans | -83.3 | 69 | 169.6 | -149.2 | -45.8 | 0 | 0 | 0 | 110.6 | ||||
| 274 | L | 36.5 | Very low | 35.1 | Very low | 107 Ų | 107 | 128.1 Ų | 128.1 | 56% | 0.56 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -136.5 | 134.6 | 179.2 | -88.3 | 148.6 | 0 | 0 | 0 | 109.5 | L272 S276 | L272-L274 HydrophobicContact CD2-CD1 4.38Å; L272-L274 PolarHBondContact O-N 3.07Å; L274-S276 PolarHBondContact O-N 3.24Å |
| 275 | P | 32.1 | Very low | 34.5 | Very low | 108 Ų | 108 | 128.4 Ų | 128.4 | 70% | 0.701 | 72% | 0.72 | S | S | * | * | trans | -64.6 | 130.2 | 177.5 | 26.3 | -33.4 | 0 | 0 | 0 | 110.9 | K277 | P275-K277 PolarHBondContact O-N 2.95Š| ||
| 276 | S | 37.6 | Very low | 34.6 | Very low | 120 Ų | 120 | 126.7 Ų | 126.7 | 84% | 0.839 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -55.8 | 107.1 | -174 | -49.2 | 0 | 0 | 0 | 0 | 112.8 | L274 | L274-S276 PolarHBondContact O-N 3.24Š|
| 277 | K | 41.8 | Very low | 34.5 | Very low | 194 Ų | 194 | 124.1 Ų | 124.1 | 84% | 0.843 | 71% | 0.708 | S | S | * | * | trans | -177.7 | -4.1 | 156.6 | -104.9 | 158.1 | -168.9 | -171.9 | 0 | 115.7 | P275 | P275-K277 PolarHBondContact O-N 2.95Š| ||
| 278 | F | 29.6 | Very low | 34.8 | Very low | 175 Ų | 175 | 123.9 Ų | 123.9 | 77% | 0.768 | 72% | 0.717 | S | S | * | * | trans | -111.2 | 101.6 | -177.1 | -60.9 | -77.2 | 0 | 0 | 0 | 112.1 | R280 | F278-R280 PolarHBondContact O-N 3.45Š| ||
| 279 | V | 35.3 | Very low | 35 | Very low | 129 Ų | 129 | 128.4 Ų | 128.4 | 78% | 0.782 | 73% | 0.726 | S | S | * | * | trans | -73.3 | 116.8 | 162 | 179.5 | 0 | 0 | 0 | 0 | 107.4 | I281 | V279-I281 HydrophobicContact CG1-CG1 4.07Å; V279-I281 PolarHBondContact O-N 3.04Å | ||
| 280 | R | 32.1 | Very low | 35 | Very low | 232 Ų | 232 | 128.6 Ų | 128.6 | 88% | 0.875 | 73% | 0.725 | S | S | * | * | trans | -81.7 | 102.4 | 170.6 | -83.5 | -174.3 | 157 | -169.7 | -6.6 | 109.1 | F278 | F278-R280 PolarHBondContact O-N 3.45Š| ||
| 281 | I | 37.3 | Very low | 35 | Very low | 110 Ų | 110 | 131.3 Ų | 131.3 | 56% | 0.564 | 74% | 0.737 | S | S | * | * | trans | -84 | 112.8 | 169.8 | -58.4 | 171 | 0 | 0 | 0 | 107.4 | L262 V279 | L262-I281 HydrophobicContact CD1-CD1 4.32Å; L262-I281 HydrophobicContact CD2-CG2 3.78Å; V279-I281 HydrophobicContact CG1-CG1 4.07Å; V279-I281 PolarHBondContact O-N 3.04Å | ||
| 282 | A | 30.6 | Very low | 34.9 | Very low | 76 Ų | 76 | 127.8 Ų | 127.8 | 63% | 0.628 | 74% | 0.736 | S | S | * | * | trans | -89.3 | 127.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | V284 | A282-V284 PolarHBondContact O-N 3Å; A282-V284 VanDerWaalsContact O-N 3.13Å | ||
| 283 | P | 35.9 | Very low | 34.8 | Very low | 107 Ų | 107 | 128.7 Ų | 128.7 | 70% | 0.695 | 75% | 0.751 | S | S | * | * | trans | -64 | 115 | 170.2 | -17.3 | 30.5 | 0 | 0 | 0 | 109 | P285 | P283-P285 WeakPolarHBondContact O-CD 3.38Š| ||
| 284 | V | 36.4 | Very low | 34.5 | Very low | 99 Ų | 99 | 123.9 Ų | 123.9 | 60% | 0.6 | 74% | 0.742 | S | S | * | * | trans | -91.8 | 108.3 | 165.7 | -178.8 | 0 | 0 | 0 | 0 | 106.4 | A282 I286 | A282-V284 PolarHBondContact O-N 3Å; A282-V284 VanDerWaalsContact O-N 3.13Å; V284-I286 PolarHBondContact O-N 3.31Å | ||
| 285 | P | 33.9 | Very low | 34.7 | Very low | 100 Ų | 100 | 124.4 Ų | 124.4 | 65% | 0.649 | 75% | 0.752 | S | S | * | * | trans | -64.6 | 122.2 | 173.4 | 26.4 | -32.2 | 0 | 0 | 0 | 108.6 | P283 A287 | P283-P285 WeakPolarHBondContact O-CD 3.38Å; P285-A287 PolarHBondContact O-N 3.15Å | ||
| 286 | I | 37.5 | Very low | 34.8 | Very low | 115 Ų | 115 | 127.8 Ų | 127.8 | 59% | 0.59 | 76% | 0.764 | S | S | * | * | trans | -71.1 | 101.7 | 172.3 | -56.6 | 175.1 | 0 | 0 | 0 | 106.5 | A261 V284 A288 | A261-I286 HydrophobicContact CB-CD1 3.84Å; V284-I286 PolarHBondContact O-N 3.31Å; I286-A288 PolarHBondContact O-N 3.4Å | ||
| 287 | A | 35.2 | Very low | 34.4 | Very low | 86 Ų | 86 | 125.5 Ų | 125.5 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | trans | -64.1 | 102.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | P285 K289 | P285-A287 PolarHBondContact O-N 3.15Å; A287-K289 PolarHBondContact O-N 2.75Å | ||
| 288 | A | 34 | Very low | 34.6 | Very low | 93 Ų | 93 | 123.1 Ų | 123.1 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | trans | -61.4 | 109.2 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | I286 P290 | I286-A288 PolarHBondContact O-N 3.4Å; A288-P290 VanDerWaalsContact O-CD 3.28Å; A288-P290 WeakPolarHBondContact O-CD 3.33Å | ||
| 289 | K | 33.8 | Very low | 34.7 | Very low | 193 Ų | 193 | 118.2 Ų | 118.2 | 84% | 0.839 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 119.9 | 176.7 | -66.9 | 178.4 | 179 | 177.9 | 0 | 108.9 | A287 | A287-K289 PolarHBondContact O-N 2.75Š|
| 290 | P | 32.5 | Very low | 35.2 | Very low | 123 Ų | 123 | 118 Ų | 118 | 80% | 0.799 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 134 | 161.7 | 29.7 | -31.4 | 0 | 0 | 0 | 108.9 | A288 G292 | A288-P290 VanDerWaalsContact O-CD 3.28Å; A288-P290 WeakPolarHBondContact O-CD 3.33Å; P290-G292 PolarHBondContact O-N 3.03Å |
| 291 | V | 33.6 | Very low | 35.6 | Very low | 157 Ų | 157 | 112.1 Ų | 112.1 | 95% | 0.952 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -73 | 121.1 | 168.7 | 172.7 | 0 | 0 | 0 | 0 | 107.8 | ||
| 292 | G | 33.6 | Very low | 35.4 | Very low | 75 Ų | 75 | 110.2 Ų | 110.2 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | trans | -172.4 | 122.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | P290 | P290-G292 PolarHBondContact O-N 3.03Š| ||
| 293 | S | 33.3 | Very low | 36 | Very low | 129 Ų | 129 | 114.6 Ų | 114.6 | 90% | 0.902 | 78% | 0.784 | S | S | * | * | trans | -93.4 | 140.9 | -172.8 | 49.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 294 | G | 31.8 | Very low | 36.2 | Very low | 73 Ų | 73 | 117 Ų | 117 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | trans | 148.4 | 130 | 165 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 295 | P | 40.3 | Very low | 36.3 | Very low | 118 Ų | 118 | 121.1 Ų | 121.1 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | trans | -101.4 | 149.1 | -170.7 | 37.4 | -34.2 | 0 | 0 | 0 | 116.2 | ||||
| 296 | L | 34 | Very low | 36.9 | Very low | 180 Ų | 180 | 119.6 Ų | 119.6 | 94% | 0.942 | 81% | 0.808 | S | S | * | * | trans | 49.2 | 117.7 | 142.2 | -60.7 | 170.4 | 0 | 0 | 0 | 121 | ||||
| 297 | G | 29.9 | Very low | 37 | Very low | 72 Ų | 72 | 122.4 Ų | 122.4 | 74% | 0.742 | 82% | 0.818 | S | S | * | * | trans | -151.3 | 130.8 | 152.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 298 | P | 46.4 | Very low | 37.2 | Very low | 144 Ų | 144 | 127.6 Ų | 127.6 | 94% | 0.935 | 83% | 0.825 | S | S | * | * | trans | -94 | 136.1 | -178.9 | 34.6 | -31.7 | 0 | 0 | 0 | 112.6 | ||||
| 299 | G | 30.8 | Very low | 37.3 | Very low | 71 Ų | 71 | 132.1 Ų | 132.1 | 73% | 0.732 | 83% | 0.827 | S | S | * | * | trans | -166.6 | 144.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 300 | P | 45.8 | Very low | 37.7 | Very low | 126 Ų | 126 | 128.5 Ų | 128.5 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | trans | -103 | 159.6 | -151.3 | 38.4 | -36.6 | 0 | 0 | 0 | 116.8 | ||||
| 301 | A | 41.5 | Very low | 38.4 | Very low | 107 Ų | 107 | 131.9 Ų | 131.9 | 88% | 0.884 | 83% | 0.826 | S | S | * | * | trans | 44.2 | 87.7 | 146.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 302 | G | 33.3 | Very low | 38.6 | Very low | 70 Ų | 70 | 129.8 Ų | 129.8 | 72% | 0.722 | 81% | 0.809 | S | S | * | * | trans | -114.5 | 113 | 158.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L304 | G302-L304 PolarHBondContact O-N 3.07Š| ||
| 303 | L | 42.3 | Very low | 39.2 | Very low | 169 Ų | 169 | 131.3 Ų | 131.3 | 89% | 0.885 | 81% | 0.805 | S | S | * | * | trans | -68.4 | 111 | 175 | -83.2 | 165.4 | 0 | 0 | 0 | 111.1 | ||||
| 304 | L | 39.9 | Very low | 39.7 | Very low | 158 Ų | 158 | 128.9 Ų | 128.9 | 83% | 0.827 | 79% | 0.793 | S | S | * | * | trans | -108.8 | 70.2 | 166.5 | -60.9 | -175.9 | 0 | 0 | 0 | 110.8 | G302 | G302-L304 PolarHBondContact O-N 3.07Š| ||
| 305 | M | 39.7 | Very low | 40.4 | Very low | 184 Ų | 184 | 129.4 Ų | 129.4 | 91% | 0.906 | 79% | 0.791 | S | S | * | * | trans | -61.4 | 133.9 | 159.7 | -94.5 | -103.3 | -109 | 0 | 0 | 109.2 | ||||
| 306 | G | 44.8 | Very low | 41.1 | Very low | 69 Ų | 69 | 131.3 Ų | 131.3 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | trans | 105.6 | 31 | 163.9 | 0 | 0 | 0 | 0 | 0 | 118 | K308 | G306-K308 PolarHBondContact O-N 3Š| ||
| 307 | Q | 40.4 | Very low | 42.4 | Very low | 174 Ų | 174 | 130.6 Ų | 130.6 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | trans | -67.8 | 86.1 | 155.1 | -74.9 | -161.6 | 42.3 | 0 | 0 | 109.8 | F309 | Q307-F309 PolarHBondContact O-N 3.4Š| ||
| 308 | K | 40.2 | Very low | 44.4 | Very low | 195 Ų | 195 | 132.6 Ų | 132.6 | 85% | 0.848 | 78% | 0.778 | S | S | * | * | trans | -68.4 | 95.1 | 172.6 | -167 | 177.6 | -169.1 | 175.7 | 0 | 107.3 | G306 | G306-K308 PolarHBondContact O-N 3Š| ||
| 309 | F | 34.6 | Very low | 45.9 | Very low | 187 Ų | 187 | 133.3 Ų | 133.3 | 82% | 0.82 | 77% | 0.766 | S | S | * | * | trans | -43.6 | 128.5 | 172.9 | -77.9 | -92.3 | 0 | 0 | 0 | 109.1 | Q307 K311 | Q307-F309 PolarHBondContact O-N 3.4Å; F309-K311 PolarHBondContact O-N 3.46Å | ||
| 310 | P | 42.7 | Very low | 48.7 | Very low | 118 Ų | 118 | 134.3 Ų | 134.3 | 77% | 0.766 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 120.2 | 172.7 | 24.2 | -31.8 | 0 | 0 | 0 | 107 | N312 | P310-N312 PolarHBondContact O-N 3.39Å; P310-N312 VanDerWaalsContact O-N 3.09Å |
| 311 | K | 47.6 | Very low | 50.7 | Low | 194 Ų | 194 | 130.3 Ų | 130.3 | 84% | 0.843 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 122.3 | 174.6 | -72.1 | 179.8 | 177.5 | -179.9 | 0 | 106.5 | F309 P313 | F309-K311 PolarHBondContact O-N 3.46Å; K311-P313 VanDerWaalsContact O-N 3.14Å |
| 312 | N | 37.8 | Very low | 52.9 | Low | 113 Ų | 113 | 132.1 Ų | 132.1 | 60% | 0.604 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -49.4 | 121.2 | -179.7 | -178.6 | -7.4 | 0 | 0 | 0 | 109 | P310 A314 A315 | P310-N312 PolarHBondContact O-N 3.39Å; P310-N312 VanDerWaalsContact O-N 3.09Å; N312-A314 PolarHBondContact O-N 3.3Å; N312-A314 WeakPolarHBondContact OD1-CB 3.47Å; N312-A314 PolarHBondContact OD1-N 3.36Å; N312-A314 VanDerWaalsContact OD1-N 3.15Å; N312-A315 PolarHBondContact O-N 2.69Å; N312-A315 VanDerWaalsContact O-N 3.11Å |
| 313 | P | 46.2 | Very low | 55.7 | Low | 106 Ų | 106 | 129.4 Ų | 129.4 | 69% | 0.688 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -62.2 | -12.3 | -176.8 | 24 | -33.5 | 0 | 0 | 0 | 113.1 | K311 A315 E316 | K311-P313 VanDerWaalsContact O-N 3.14Å; P313-A315 PolarHBondContact O-N 3.11Å; P313-E316 WeakPolarHBondContact O-CG 3.43Å; P313-E316 PolarHBondContact O-N 3.06Å; P313-E316 VanDerWaalsContact O-N 3.1Å |
| 314 | A | 44.4 | Very low | 57.9 | Low | 78 Ų | 78 | 127.1 Ų | 127.1 | 65% | 0.645 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -65 | 6.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | N312 E316 | N312-A314 PolarHBondContact O-N 3.3Å; N312-A314 WeakPolarHBondContact OD1-CB 3.47Å; N312-A314 PolarHBondContact OD1-N 3.36Å; N312-A314 VanDerWaalsContact OD1-N 3.15Å; A314-E316 VanDerWaalsContact C-N 3.34Å |
| 315 | A | 46.8 | Very low | 60.3 | Low | 85 Ų | 85 | 124.1 Ų | 124.1 | 70% | 0.702 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -92.3 | 12 | 166.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | N312 P313 | N312-A315 PolarHBondContact O-N 2.69Å; N312-A315 VanDerWaalsContact O-N 3.11Å; P313-A315 PolarHBondContact O-N 3.11Å |
| 316 | E | 53.9 | Low | 62.5 | Low | 157 Ų | 157 | 120.5 Ų | 120.5 | 73% | 0.734 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -40.7 | 142.1 | 157.4 | -82.2 | -79.7 | 105.3 | 0 | 0 | 111.4 | P313 A314 I318 | P313-E316 WeakPolarHBondContact O-CG 3.43Å; P313-E316 PolarHBondContact O-N 3.06Å; P313-E316 VanDerWaalsContact O-N 3.1Å; A314-E316 VanDerWaalsContact C-N 3.34Å; E316-I318 PolarHBondContact O-N 2.86Å |
| 317 | L | 61.7 | Low | 64.5 | Low | 165 Ų | 165 | 121.8 Ų | 121.8 | 86% | 0.864 | 66% | 0.658 | S | S | * | * | trans | -51.9 | 106.2 | -171.7 | -99 | 72.3 | 0 | 0 | 0 | 112.5 | K319 | L317-K319 VanDerWaalsContact C-N 3.28Å; L317-K319 PolarHBondContact O-N 2.88Å | ||
| 318 | I | 71.9 | Confident | 66.8 | Low | 115 Ų | 115 | 114.6 Ų | 114.6 | 59% | 0.59 | 63% | 0.627 | S | S | * | * | trans | -68.6 | 92.8 | 163.2 | -53.2 | 178.5 | 0 | 0 | 0 | 107.3 | E316 M320 T333 | E316-I318 PolarHBondContact O-N 2.86Å; I318-M320 HydrophobicContact CB-CE 4.03Å; I318-M320 HydrophobicContact CG2-CE 3.68Å; I318-M320 PolarHBondContact O-N 3.16Å; I318-T333 HydrophobicContact CG2-CG2 3.94Å | ||
| 319 | K | 78.4 | Confident | 69.1 | Low | 158 Ų | 158 | 110.9 Ų | 110.9 | 69% | 0.687 | 63% | 0.625 | S | S | * | * | trans | -59.1 | 106.1 | -176.8 | -175.7 | 179.4 | 178.1 | -177 | 0 | 110.7 | L317 H321 | L317-K319 VanDerWaalsContact C-N 3.28Å; L317-K319 PolarHBondContact O-N 2.88Å; K319-H321 PolarHBondContact O-CE1 2.77Å; K319-H321 PolarHBondContact O-ND1 2.89Å; K319-H321 VanDerWaalsContact O-ND1 3.15Å | ||
| 320 | M | 88.2 | Confident | 71.8 | Confident | 92 Ų | 92 | 107.1 Ų | 107.1 | 45% | 0.453 | 61% | 0.609 | S | S | . | * | trans | -83.6 | 123.3 | -179.5 | -64.1 | -64.1 | 167 | 0 | 0 | 111.8 | I318 K322 M331 T333 | I318-M320 HydrophobicContact CB-CE 4.03Å; I318-M320 HydrophobicContact CG2-CE 3.68Å; I318-M320 PolarHBondContact O-N 3.16Å; M320-K322 PolarHBondContact O-N 3.27Å; M320-M331 HydrophobicContact CB-CE 3.71Å; M320-T333 HydrophobicContact CE-CG2 3.71Å; M320-T333 HydrophobicContact SD-CG2 3.74Å | ||
| 321 | H | 87.8 | Confident | 74.2 | Confident | 42 Ų | 42 | 106.9 Ų | 106.9 | 19% | 0.194 | 60% | 0.599 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.1 | 97.4 | 177.3 | -62.3 | 86.3 | 0 | 0 | 0 | 109.4 | K319 M331 Y332 T333 L338 | K319-H321 PolarHBondContact O-CE1 2.77Å; K319-H321 PolarHBondContact O-ND1 2.89Å; K319-H321 VanDerWaalsContact O-ND1 3.15Å; H321-M331 CarbonylContact O-C 3.58Å; H321-M331 WeakPolarHBondContact O-CA 3.49Å; H321-Y332 WeakPolarHBondContact CB-O 3.16Å; H321-Y332 PolarHBondContact N-O 3.41Å; H321-Y332 PolarHBondContact ND1-O 2.75Å; H321-Y332 PolarHBondContact O-N 3.25Å; H321-T333 PolarHBondContact ND1-O 3.4Å; H321-L338 HydrophobicContact CB-CB 3.91Å; H321-L338 HydrophobicContact CB-CD2 3.75Å; H321-L338 HydrophobicContact CB-CG 4.42Å |
| 322 | K | 89.4 | Confident | 76.1 | Confident | 145 Ų | 145 | 100.3 Ų | 100.3 | 63% | 0.63 | 57% | 0.569 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -74.6 | 145.3 | 177.4 | 70.1 | -176.4 | -176.9 | -178.2 | 0 | 111.7 | M320 M331 L338 | M320-K322 PolarHBondContact O-N 3.27Å; K322-M331 HydrophobicContact CB-CE 4.09Å; K322-M331 HydrophobicContact CB-CG 4.12Å; K322-L338 WeakPolarHBondContact O-CD2 3.49Å |
| 323 | C | 91.6 | Very high | 78.6 | Confident | 13 Ų | 13 | 98.7 Ų | 98.7 | 9% | 0.088 | 56% | 0.563 | C | S | . | * | trans | -69.4 | 130.7 | 169.3 | -171 | 0 | 0 | 0 | 0 | 111 | F325 C328 K330 L338 H341 H345 | C323-F325 PolarHBondContact SG-N 3.18Å; C323-C328 HydrophobicContact CB-CB 4.21Å; C323-C328 VanDerWaalsContact SG-SG 3.69Å; C323-K330 WeakPolarHBondContact CB-O 3.47Å; C323-K330 PolarHBondContact N-O 2.82Å; C323-L338 HydrophobicContact CB-CD1 4.18Å; C323-H341 PolarHBondContact SG-NE2 2.88Å; C323-H345 PolarHBondContact SG-NE2 2.86Å; C323-H345 VanDerWaalsContact SG-NE2 3.36Å | ||
| 324 | T | 88.8 | Confident | 80.5 | Confident | 121 Ų | 121 | 97.8 Ų | 97.8 | 74% | 0.742 | 55% | 0.548 | S | S | * | . | trans | -85 | -9.1 | 177.3 | -37.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 325 | F | 88.7 | Confident | 82.5 | Confident | 96 Ų | 96 | 95.8 Ų | 95.8 | 42% | 0.421 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -73.9 | 130.3 | -174.7 | -165.9 | -92.1 | 0 | 0 | 0 | 111.6 | C323 G327 C328 H345 | C323-F325 PolarHBondContact SG-N 3.18Å; F325-G327 PolarHBondContact O-N 2.96Å; F325-C328 HydrophobicContact CB-CB 4.2Å; F325-C328 WeakPolarHBondContact O-CB 3.22Å; F325-C328 PolarHBondContact O-N 2.93Å; F325-H345 HydrophobicContact CB-CB 4.47Å; F325-H345 HydrophobicContact CD1-CB 4.35Å; F325-H345 AromaticContact CD1-CE1 3.7Å; F325-H345 AromaticContact CD1-CG 3.92Å; F325-H345 AromaticContact CD1-ND1 3.59Å; F325-H345 HydrophobicContact CD2-CB 3.6Å; F325-H345 AromaticContact CD2-CG 3.92Å; F325-H345 AromaticContact CE1-ND1 3.98Å; F325-H345 HydrophobicContact CE2-CB 3.83Å; F325-H345 HydrophobicContact CG-CB 3.88Å; F325-H345 AromaticContact CG-CD2 3.78Å; F325-H345 AromaticContact CG-CE1 3.96Å; F325-H345 AromaticContact CG-CG 3.64Å; F325-H345 AromaticContact CG-ND1 3.83Å; F325-H345 AromaticContact CG-NE2 3.99Å; F325-H345 HydrophobicContact CZ-CB 4.3Å |
| 326 | P | 86.5 | Confident | 84.4 | Confident | 108 Ų | 108 | 92.5 Ų | 92.5 | 70% | 0.701 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 130.7 | -178 | 23.5 | -33.5 | 0 | 0 | 0 | 111.4 | ||
| 327 | G | 86 | Confident | 86 | Confident | 95 Ų | 95 | 89.3 Ų | 89.3 | 98% | 0.979 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.8 | 3.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | F325 | F325-G327 PolarHBondContact O-N 2.96Š|
| 328 | C | 89.1 | Confident | 87.3 | Confident | 23 Ų | 23 | 82.4 Ų | 82.4 | 16% | 0.155 | 45% | 0.45 | C | S | . | . | trans | -111.2 | 108.1 | 176.4 | -169.8 | 0 | 0 | 0 | 0 | 112.8 | C323 F325 K330 H341 H345 | C323-C328 HydrophobicContact CB-CB 4.21Å; C323-C328 VanDerWaalsContact SG-SG 3.69Å; F325-C328 HydrophobicContact CB-CB 4.2Å; F325-C328 WeakPolarHBondContact O-CB 3.22Å; F325-C328 PolarHBondContact O-N 2.93Å; C328-K330 PolarHBondContact O-N 3.27Å; C328-H341 PolarHBondContact SG-CE1 3.01Å; C328-H341 PolarHBondContact SG-NE2 2.88Å; C328-H345 PolarHBondContact SG-NE2 2.8Å; C328-H345 VanDerWaalsContact SG-NE2 3.36Å | ||
| 329 | S | 90 | Very high | 88 | Confident | 117 Ų | 117 | 83.7 Ų | 83.7 | 82% | 0.818 | 45% | 0.452 | S | S | * | . | trans | -89.6 | 11.2 | -179.6 | 54.8 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 330 | K | 90.8 | Very high | 88.3 | Confident | 109 Ų | 109 | 76.9 Ų | 76.9 | 47% | 0.474 | 43% | 0.425 | S | S | . | . | trans | -75.3 | 141 | -176.7 | -55.5 | -156.4 | -167.4 | -176.6 | 0 | 111.9 | C323 C328 Y332 | C323-K330 WeakPolarHBondContact CB-O 3.47Å; C323-K330 PolarHBondContact N-O 2.82Å; C328-K330 PolarHBondContact O-N 3.27Å; K330-Y332 HydrophobicContact CB-CE2 3.9Å | ||
| 331 | M | 91.6 | Very high | 88.3 | Confident | 113 Ų | 113 | 73 Ų | 73 | 56% | 0.557 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 151.9 | 177.4 | -56.1 | 179.1 | 80.9 | 0 | 0 | 110.2 | M320 H321 K322 | M320-M331 HydrophobicContact CB-CE 3.71Å; H321-M331 CarbonylContact O-C 3.58Å; H321-M331 WeakPolarHBondContact O-CA 3.49Å; K322-M331 HydrophobicContact CB-CE 4.09Å; K322-M331 HydrophobicContact CB-CG 4.12Å |
| 332 | Y | 89.4 | Confident | 88.3 | Confident | 56 Ų | 56 | 73.7 Ų | 73.7 | 22% | 0.22 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 138.7 | -173.5 | -67.6 | -79.7 | 0 | 0 | 0 | 111.9 | H321 K330 K334 H337 L338 H341 | H321-Y332 WeakPolarHBondContact CB-O 3.16Å; H321-Y332 PolarHBondContact N-O 3.41Å; H321-Y332 PolarHBondContact ND1-O 2.75Å; H321-Y332 PolarHBondContact O-N 3.25Å; K330-Y332 HydrophobicContact CB-CE2 3.9Å; Y332-K334 VanDerWaalsContact C-N 3.33Å; Y332-H337 HydrophobicContact CD1-CB 3.6Å; Y332-H337 HydrophobicContact CE1-CB 4.38Å; Y332-H337 HydrophobicContact CG-CB 3.99Å; Y332-L338 HydrophobicContact CD2-CB 4.09Å; Y332-L338 HydrophobicContact CD2-CD1 4.11Å; Y332-L338 HydrophobicContact CG-CB 4.45Å; Y332-H341 HydrophobicContact CD2-CB 4.38Å; Y332-H341 HydrophobicContact CE2-CB 3.59Å; Y332-H341 AromaticContact CE2-CE1 3.99Å; Y332-H341 AromaticContact CE2-CG 3.48Å; Y332-H341 VanDerWaalsContact CE2-CG 3.48Å; Y332-H341 AromaticContact CE2-ND1 3.38Å; Y332-H341 WeakPolarHBondContact CE2-ND1 3.41Å; Y332-H341 AromaticContact CZ-CG 3.82Å; Y332-H341 AromaticContact CZ-ND1 3.44Å; Y332-H341 PolarHBondContact OH-ND1 3.42Å |
| 333 | T | 88.8 | Confident | 88.2 | Confident | 78 Ų | 78 | 68.9 Ų | 68.9 | 48% | 0.479 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -67.4 | -33.4 | 173.8 | 46.4 | 0 | 0 | 0 | 0 | 112.7 | I318 M320 H321 | I318-T333 HydrophobicContact CG2-CG2 3.94Å; M320-T333 HydrophobicContact CE-CG2 3.71Å; M320-T333 HydrophobicContact SD-CG2 3.74Å; H321-T333 PolarHBondContact ND1-O 3.4Å |
| 334 | K | 87.3 | Confident | 87.8 | Confident | 87 Ų | 87 | 74.7 Ų | 74.7 | 38% | 0.378 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -105.8 | 142.6 | 178.2 | -63.8 | -168.1 | 174.1 | -165.5 | 0 | 111.8 | N151 Y332 H337 L338 | N151-K334 PolarHBondContact OD1-NZ 3.47Å; Y332-K334 VanDerWaalsContact C-N 3.33Å; K334-H337 HydrophobicContact CB-CB 4.28Å; K334-H337 PolarHBondContact O-N 3.44Å; K334-L338 PolarHBondContact O-N 3.49Å |
| 335 | S | 86.6 | Confident | 87.7 | Confident | 37 Ų | 37 | 71.1 Ų | 71.1 | 26% | 0.259 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60.2 | -44 | 170.8 | 54.7 | 0 | 0 | 0 | 0 | 112.3 | E153 H337 L338 K339 | E153-S335 VanDerWaalsContact OE1-CB 3.27Å; E153-S335 WeakPolarHBondContact OE1-CB 3.48Å; E153-S335 PolarHBondContact OE1-OG 2.89Å; S335-H337 PolarHBondContact O-N 2.75Å; S335-L338 WeakPolarHBondContact O-CA 3.28Å; S335-L338 WeakPolarHBondContact O-CB 3.46Å; S335-L338 PolarHBondContact O-N 3.37Å; S335-K339 PolarHBondContact O-N 3.18Å |
| 336 | S | 84.9 | Confident | 87.5 | Confident | 15 Ų | 15 | 70.5 Ų | 70.5 | 11% | 0.105 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -57.8 | -43.9 | 176.6 | 53.9 | 0 | 0 | 0 | 0 | 112.6 | E150 L338 K339 A340 | E150-S336 WeakPolarHBondContact O-CB 3.35Å; E150-S336 PolarHBondContact O-OG 3.3Å; S336-L338 VanDerWaalsContact C-N 3.33Å; S336-L338 PolarHBondContact O-N 3.49Å; S336-K339 WeakPolarHBondContact O-CB 3.36Å; S336-K339 PolarHBondContact O-N 3.28Å; S336-K339 VanDerWaalsContact O-N 3.16Å; S336-A340 WeakPolarHBondContact O-CB 3.44Å; S336-A340 PolarHBondContact O-N 3.31Å |
| 337 | H | 87.6 | Confident | 87.4 | Confident | 90 Ų | 90 | 67.8 Ų | 67.8 | 42% | 0.417 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.5 | -36.3 | 174.4 | -67.2 | 174.4 | 0 | 0 | 0 | 112.9 | Y332 K334 S335 H341 | Y332-H337 HydrophobicContact CD1-CB 3.6Å; Y332-H337 HydrophobicContact CE1-CB 4.38Å; Y332-H337 HydrophobicContact CG-CB 3.99Å; K334-H337 HydrophobicContact CB-CB 4.28Å; K334-H337 PolarHBondContact O-N 3.44Å; S335-H337 PolarHBondContact O-N 2.75Å; H337-H341 VanDerWaalsContact O-CB 3.28Å; H337-H341 WeakPolarHBondContact O-CB 3.37Å; H337-H341 PolarHBondContact O-N 3.32Å |
| 338 | L | 89.4 | Confident | 87.4 | Confident | 21 Ų | 21 | 68.5 Ų | 68.5 | 11% | 0.11 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66.8 | -45.2 | 171.8 | 173.8 | 62.6 | 0 | 0 | 0 | 111 | H321 K322 C323 Y332 K334 S335 S336 A340 H341 L342 | H321-L338 HydrophobicContact CB-CB 3.91Å; H321-L338 HydrophobicContact CB-CD2 3.75Å; H321-L338 HydrophobicContact CB-CG 4.42Å; K322-L338 WeakPolarHBondContact O-CD2 3.49Å; C323-L338 HydrophobicContact CB-CD1 4.18Å; Y332-L338 HydrophobicContact CD2-CB 4.09Å; Y332-L338 HydrophobicContact CD2-CD1 4.11Å; Y332-L338 HydrophobicContact CG-CB 4.45Å; K334-L338 PolarHBondContact O-N 3.49Å; S335-L338 WeakPolarHBondContact O-CA 3.28Å; S335-L338 WeakPolarHBondContact O-CB 3.46Å; S335-L338 PolarHBondContact O-N 3.37Å; S336-L338 VanDerWaalsContact C-N 3.33Å; S336-L338 PolarHBondContact O-N 3.49Å; L338-A340 PolarHBondContact O-N 3.15Å; L338-H341 CarbonylContact O-C 3.58Å; L338-H341 WeakPolarHBondContact O-CA 3.5Å; L338-H341 WeakPolarHBondContact O-CB 3.32Å; L338-H341 PolarHBondContact O-N 2.85Å; L338-H341 VanDerWaalsContact O-N 3.07Å; L338-L342 HydrophobicContact CD1-CD1 4.25Å; L338-L342 HydrophobicContact CD1-CD2 4.3Å; L338-L342 HydrophobicContact CD1-CG 3.97Å; L338-L342 HydrophobicContact CG-CD1 4.05Å; L338-L342 HydrophobicContact CG-CG 4.25Å; L338-L342 WeakPolarHBondContact O-CG 3.39Å; L338-L342 PolarHBondContact O-N 3.08Å |
| 339 | K | 86.5 | Confident | 87.3 | Confident | 142 Ų | 142 | 72.9 Ų | 72.9 | 62% | 0.617 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -58.1 | -48.3 | 178.4 | -168.4 | 177.1 | -177.2 | -179.1 | 0 | 111.3 | S335 S336 H341 L342 R343 | S335-K339 PolarHBondContact O-N 3.18Å; S336-K339 WeakPolarHBondContact O-CB 3.36Å; S336-K339 PolarHBondContact O-N 3.28Å; S336-K339 VanDerWaalsContact O-N 3.16Å; K339-H341 VanDerWaalsContact C-N 3.31Å; K339-H341 PolarHBondContact O-N 3.3Å; K339-L342 PolarHBondContact O-N 3.47Å; K339-R343 PolarHBondContact O-N 2.82Å |
| 340 | A | 85.4 | Confident | 87 | Confident | 15 Ų | 15 | 70.1 Ų | 70.1 | 12% | 0.124 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.1 | -35.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | S336 L338 R364 | S336-A340 WeakPolarHBondContact O-CB 3.44Å; S336-A340 PolarHBondContact O-N 3.31Å; L338-A340 PolarHBondContact O-N 3.15Å; A340-R364 HydrophobicContact CB-CG 4.36Å |
| 341 | H | 87.9 | Confident | 86.9 | Confident | 11 Ų | 11 | 65.9 Ų | 65.9 | 5% | 0.051 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -67.2 | -39.8 | 173.3 | 167.8 | 109.2 | 0 | 0 | 0 | 112.9 | C323 C328 Y332 H337 L338 K339 R343 R344 H345 | C323-H341 PolarHBondContact SG-NE2 2.88Å; C328-H341 PolarHBondContact SG-CE1 3.01Å; C328-H341 PolarHBondContact SG-NE2 2.88Å; Y332-H341 HydrophobicContact CD2-CB 4.38Å; Y332-H341 HydrophobicContact CE2-CB 3.59Å; Y332-H341 AromaticContact CE2-CE1 3.99Å; Y332-H341 AromaticContact CE2-CG 3.48Å; Y332-H341 VanDerWaalsContact CE2-CG 3.48Å; Y332-H341 AromaticContact CE2-ND1 3.38Å; Y332-H341 WeakPolarHBondContact CE2-ND1 3.41Å; Y332-H341 AromaticContact CZ-CG 3.82Å; Y332-H341 AromaticContact CZ-ND1 3.44Å; Y332-H341 PolarHBondContact OH-ND1 3.42Å; H337-H341 VanDerWaalsContact O-CB 3.28Å; H337-H341 WeakPolarHBondContact O-CB 3.37Å; H337-H341 PolarHBondContact O-N 3.32Å; L338-H341 CarbonylContact O-C 3.58Å; L338-H341 WeakPolarHBondContact O-CA 3.5Å; L338-H341 WeakPolarHBondContact O-CB 3.32Å; L338-H341 PolarHBondContact O-N 2.85Å; L338-H341 VanDerWaalsContact O-N 3.07Å; K339-H341 VanDerWaalsContact C-N 3.31Å; K339-H341 PolarHBondContact O-N 3.3Å; H341-R343 VanDerWaalsContact C-N 3.28Å; H341-R343 PolarHBondContact O-N 2.53Å; H341-R344 PolarHBondContact CE1-NH2 2.98Å; H341-R344 PolarHBondContact ND1-NH2 3.48Å; H341-R344 PolarHBondContact NE2-NH2 3.25Å; H341-R344 VanDerWaalsContact O-CB 3.31Å; H341-R344 WeakPolarHBondContact O-CB 3.46Å; H341-R344 PolarHBondContact O-N 3.17Å; H341-R344 VanDerWaalsContact O-N 3.12Å; H341-H345 AromaticContact CD2-CD2 3.89Å; H341-H345 AromaticContact CD2-NE2 3.73Å; H341-H345 AromaticContact CE1-NE2 3.94Å; H341-H345 AromaticContact NE2-CD2 3.66Å; H341-H345 AromaticContact NE2-NE2 3.02Å; H341-H345 PolarHBondContact NE2-NE2 3.36Å |
| 342 | L | 87.2 | Confident | 86.8 | Confident | 56 Ų | 56 | 62.1 Ų | 62.1 | 29% | 0.293 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.3 | -33.3 | -178.3 | -72.4 | 171.1 | 0 | 0 | 0 | 111.7 | L338 K339 R344 H345 T346 | L338-L342 HydrophobicContact CD1-CD1 4.25Å; L338-L342 HydrophobicContact CD1-CD2 4.3Å; L338-L342 HydrophobicContact CD1-CG 3.97Å; L338-L342 HydrophobicContact CG-CD1 4.05Å; L338-L342 HydrophobicContact CG-CG 4.25Å; L338-L342 WeakPolarHBondContact O-CG 3.39Å; L338-L342 PolarHBondContact O-N 3.08Å; K339-L342 PolarHBondContact O-N 3.47Å; L342-R344 PolarHBondContact O-N 2.95Å; L342-R344 VanDerWaalsContact O-N 3.13Å; L342-H345 WeakPolarHBondContact O-CA 3.36Å; L342-H345 WeakPolarHBondContact O-CB 3.39Å; L342-H345 PolarHBondContact O-N 2.76Å; L342-T346 PolarHBondContact O-N 2.94Å |
| 343 | R | 87.4 | Confident | 87 | Confident | 44 Ų | 44 | 60 Ų | 60 | 17% | 0.166 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -55.9 | -26.8 | 172.3 | -67.3 | -179.2 | 177.9 | 152.6 | -2.6 | 114 | K339 H341 H345 T346 G347 E348 S363 | K339-R343 PolarHBondContact O-N 2.82Å; H341-R343 VanDerWaalsContact C-N 3.28Å; H341-R343 PolarHBondContact O-N 2.53Å; R343-H345 VanDerWaalsContact C-N 3.28Å; R343-H345 PolarHBondContact O-N 3.1Å; R343-T346 WeakPolarHBondContact CA-OG1 3.41Å; R343-G347 CarbonylContact O-C 3.56Å; R343-G347 WeakPolarHBondContact O-CA 3.37Å; R343-G347 PolarHBondContact O-N 2.8Å; R343-E348 HydrophobicContact CB-CB 4.32Å; R343-E348 HydrophobicContact CG-CB 4.06Å; R343-E348 PolarHBondContact O-N 3.39Å; R343-S363 WeakPolarHBondContact CD-O 3.29Å; R343-S363 PolarHBondContact NH1-O 3.38Å; R343-S363 VanDerWaalsContact NH1-O 3.09Å |
| 344 | R | 84.7 | Confident | 87.1 | Confident | 135 Ų | 135 | 62.4 Ų | 62.4 | 51% | 0.509 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -72.1 | -21 | 174 | -172.8 | -179.4 | 52.8 | 68 | 23.6 | 113.1 | H341 L342 | H341-R344 PolarHBondContact CE1-NH2 2.98Å; H341-R344 PolarHBondContact ND1-NH2 3.48Å; H341-R344 PolarHBondContact NE2-NH2 3.25Å; H341-R344 VanDerWaalsContact O-CB 3.31Å; H341-R344 WeakPolarHBondContact O-CB 3.46Å; H341-R344 PolarHBondContact O-N 3.17Å; H341-R344 VanDerWaalsContact O-N 3.12Å; L342-R344 PolarHBondContact O-N 2.95Å; L342-R344 VanDerWaalsContact O-N 3.13Å |
| 345 | H | 85.5 | Confident | 87.2 | Confident | 45 Ų | 45 | 64 Ų | 64 | 21% | 0.208 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -94.2 | -38.7 | 175 | -59.1 | -63.5 | 0 | 0 | 0 | 112.1 | C323 F325 C328 H341 L342 R343 G347 | C323-H345 PolarHBondContact SG-NE2 2.86Å; C323-H345 VanDerWaalsContact SG-NE2 3.36Å; F325-H345 HydrophobicContact CB-CB 4.47Å; F325-H345 HydrophobicContact CD1-CB 4.35Å; F325-H345 AromaticContact CD1-CE1 3.7Å; F325-H345 AromaticContact CD1-CG 3.92Å; F325-H345 AromaticContact CD1-ND1 3.59Å; F325-H345 HydrophobicContact CD2-CB 3.6Å; F325-H345 AromaticContact CD2-CG 3.92Å; F325-H345 AromaticContact CE1-ND1 3.98Å; F325-H345 HydrophobicContact CE2-CB 3.83Å; F325-H345 HydrophobicContact CG-CB 3.88Å; F325-H345 AromaticContact CG-CD2 3.78Å; F325-H345 AromaticContact CG-CE1 3.96Å; F325-H345 AromaticContact CG-CG 3.64Å; F325-H345 AromaticContact CG-ND1 3.83Å; F325-H345 AromaticContact CG-NE2 3.99Å; F325-H345 HydrophobicContact CZ-CB 4.3Å; C328-H345 PolarHBondContact SG-NE2 2.8Å; C328-H345 VanDerWaalsContact SG-NE2 3.36Å; H341-H345 AromaticContact CD2-CD2 3.89Å; H341-H345 AromaticContact CD2-NE2 3.73Å; H341-H345 AromaticContact CE1-NE2 3.94Å; H341-H345 AromaticContact NE2-CD2 3.66Å; H341-H345 AromaticContact NE2-NE2 3.02Å; H341-H345 PolarHBondContact NE2-NE2 3.36Å; L342-H345 WeakPolarHBondContact O-CA 3.36Å; L342-H345 WeakPolarHBondContact O-CB 3.39Å; L342-H345 PolarHBondContact O-N 2.76Å; R343-H345 VanDerWaalsContact C-N 3.28Å; R343-H345 PolarHBondContact O-N 3.1Å; H345-G347 VanDerWaalsContact C-N 3.34Å |
| 346 | T | 84.3 | Confident | 87.3 | Confident | 84 Ų | 84 | 67.7 Ų | 67.7 | 52% | 0.515 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -78.2 | -18.9 | 176.3 | 60.6 | 0 | 0 | 0 | 0 | 113.2 | L342 R343 E348 | L342-T346 PolarHBondContact O-N 2.94Å; R343-T346 WeakPolarHBondContact CA-OG1 3.41Å; T346-E348 PolarHBondContact O-N 2.93Å; T346-E348 WeakPolarHBondContact OG1-CG 3.27Å; T346-E348 PolarHBondContact OG1-OE1 2.88Å |
| 347 | G | 84.8 | Confident | 87.4 | Confident | 50 Ų | 50 | 71.4 Ų | 71.4 | 52% | 0.515 | 40% | 0.396 | S | S | . | . | trans | 77.8 | 5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114 | R343 H345 K349 | R343-G347 CarbonylContact O-C 3.56Å; R343-G347 WeakPolarHBondContact O-CA 3.37Å; R343-G347 PolarHBondContact O-N 2.8Å; H345-G347 VanDerWaalsContact C-N 3.34Å; G347-K349 PolarHBondContact O-N 3.31Å | ||
| 348 | E | 85.2 | Confident | 87.4 | Confident | 110 Ų | 110 | 67.8 Ų | 67.8 | 51% | 0.514 | 38% | 0.38 | S | S | . | . | trans | -59.9 | 126.5 | -178.9 | -79.9 | 168.7 | -148.3 | 0 | 0 | 112.6 | R343 T346 P350 | R343-E348 HydrophobicContact CB-CB 4.32Å; R343-E348 HydrophobicContact CG-CB 4.06Å; R343-E348 PolarHBondContact O-N 3.39Å; T346-E348 PolarHBondContact O-N 2.93Å; T346-E348 WeakPolarHBondContact OG1-CG 3.27Å; T346-E348 PolarHBondContact OG1-OE1 2.88Å; E348-P350 WeakPolarHBondContact O-CD 3.11Å | ||
| 349 | K | 87.1 | Confident | 87.3 | Confident | 116 Ų | 116 | 70.3 Ų | 70.3 | 50% | 0.504 | 41% | 0.412 | S | S | . | . | trans | -125.6 | 73.1 | 178.3 | -70.6 | 171.4 | 165.5 | -158.5 | 0 | 110.5 | G347 F351 R361 F362 | G347-K349 PolarHBondContact O-N 3.31Å; K349-F351 VanDerWaalsContact C-N 3.33Å; K349-F351 PolarHBondContact O-N 3.22Å; K349-R361 HydrophobicContact CB-CB 3.69Å; K349-R361 HydrophobicContact CD-CB 4.29Å; K349-R361 WeakPolarHBondContact CD-O 3.43Å; K349-R361 PolarHBondContact O-NE 2.88Å; K349-R361 PolarHBondContact O-NH2 3.5Å; K349-F362 CarbonylContact C-O 3.59Å; K349-F362 VanDerWaalsContact C-O 3.31Å; K349-F362 WeakPolarHBondContact CA-O 3.48Å | ||
| 350 | P | 85.6 | Confident | 87.4 | Confident | 58 Ų | 58 | 69.1 Ų | 69.1 | 38% | 0.377 | 40% | 0.404 | S | S | . | . | trans | -64 | -38.8 | -176 | 23.4 | -30.8 | 0 | 0 | 0 | 111.8 | E348 A352 R361 | E348-P350 WeakPolarHBondContact O-CD 3.11Å; P350-A352 PolarHBondContact O-N 2.86Å; P350-R361 PolarHBondContact O-NH2 3.2Å | ||
| 351 | F | 88.1 | Confident | 87.7 | Confident | 21 Ų | 21 | 74.3 Ų | 74.3 | 9% | 0.092 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 110.3 | -175.2 | -55.3 | -74.1 | 0 | 0 | 0 | 111.7 | E146 K349 R361 F362 R364 S365 L368 | E146-F351 VanDerWaalsContact OE1-CE1 3.26Å; E146-F351 WeakPolarHBondContact OE1-CE1 3.27Å; K349-F351 VanDerWaalsContact C-N 3.33Å; K349-F351 PolarHBondContact O-N 3.22Å; F351-R361 CarbonylContact O-C 3.31Å; F351-R361 VanDerWaalsContact O-CA 3.23Å; F351-R361 WeakPolarHBondContact O-CA 3.33Å; F351-F362 HydrophobicContact CB-CB 4.34Å; F351-F362 PolarHBondContact N-O 2.72Å; F351-F362 PolarHBondContact O-N 3.28Å; F351-R364 VanDerWaalsContact CE2-CA 3.43Å; F351-S365 VanDerWaalsContact CE2-N 3.25Å; F351-L368 HydrophobicContact CB-CB 4.05Å; F351-L368 HydrophobicContact CB-CD2 3.86Å |
| 352 | A | 90 | Very high | 87.7 | Confident | 33 Ų | 33 | 74.5 Ų | 74.5 | 27% | 0.273 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 147.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | P350 R361 L368 | P350-A352 PolarHBondContact O-N 2.86Å; A352-R361 HydrophobicContact CB-CG 4.19Å; A352-L368 VanDerWaalsContact O-CD2 3.3Å; A352-L368 WeakPolarHBondContact O-CD2 3.24Å |
| 353 | C | 92.6 | Very high | 87.7 | Confident | 13 Ų | 13 | 73.2 Ų | 73.2 | 9% | 0.088 | 42% | 0.416 | C | S | . | . | trans | -70.2 | 133.5 | 161.9 | -160.3 | 0 | 0 | 0 | 0 | 109.5 | C358 W360 L368 H375 | C353-C358 HydrophobicContact CB-CB 4.15Å; C353-W360 PolarHBondContact N-O 3.35Å; C353-L368 HydrophobicContact CB-CD1 4.11Å; C353-H375 PolarHBondContact SG-NE2 2.99Å | ||
| 354 | T | 90.8 | Very high | 87.5 | Confident | 128 Ų | 128 | 76.8 Ų | 76.8 | 79% | 0.785 | 43% | 0.43 | S | S | * | . | trans | -94.4 | 0.8 | 175.9 | 50.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 355 | W | 90 | Very high | 87.6 | Confident | 121 Ų | 121 | 71.8 Ų | 71.8 | 46% | 0.458 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -68 | 132.3 | 179.6 | -169.2 | -87.5 | 0 | 0 | 0 | 110.7 | G357 C358 H375 | W355-G357 PolarHBondContact O-N 3.13Å; W355-C358 HydrophobicContact CB-CB 3.87Å; W355-C358 VanDerWaalsContact O-CB 3.27Å; W355-C358 WeakPolarHBondContact O-CB 3.44Å; W355-C358 PolarHBondContact O-N 3.4Å; W355-H375 AromaticContact CD1-ND1 3.79Å; W355-H375 HydrophobicContact CD2-CB 3.71Å; W355-H375 AromaticContact CD2-CG 3.75Å; W355-H375 HydrophobicContact CE3-CB 3.77Å; W355-H375 HydrophobicContact CG-CB 4.23Å; W355-H375 AromaticContact CG-CD2 3.76Å; W355-H375 AromaticContact CG-CG 3.71Å; W355-H375 AromaticContact CG-ND1 3.92Å; W355-H375 HydrophobicContact CH2-CB 4.27Å; W355-H375 HydrophobicContact CZ2-CB 4.22Å; W355-H375 HydrophobicContact CZ3-CB 4.06Å |
| 356 | P | 88.2 | Confident | 87.6 | Confident | 113 Ų | 113 | 73.2 Ų | 73.2 | 73% | 0.734 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | 131.4 | -179.9 | -27.1 | 35.4 | 0 | 0 | 0 | 112.6 | C358 | P356-C358 PolarHBondContact O-N 3.18Š|
| 357 | G | 87.2 | Confident | 87.7 | Confident | 93 Ų | 93 | 71.9 Ų | 71.9 | 96% | 0.959 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.6 | -5.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | W355 | W355-G357 PolarHBondContact O-N 3.13Š|
| 358 | C | 87.8 | Confident | 88 | Confident | 14 Ų | 14 | 70.5 Ų | 70.5 | 10% | 0.095 | 39% | 0.394 | C | S | . | . | trans | -95.3 | 99 | 178.9 | -164.4 | 0 | 0 | 0 | 0 | 112.5 | C353 W355 P356 W360 H371 H375 | C353-C358 HydrophobicContact CB-CB 4.15Å; W355-C358 HydrophobicContact CB-CB 3.87Å; W355-C358 VanDerWaalsContact O-CB 3.27Å; W355-C358 WeakPolarHBondContact O-CB 3.44Å; W355-C358 PolarHBondContact O-N 3.4Å; P356-C358 PolarHBondContact O-N 3.18Å; C358-W360 PolarHBondContact O-N 2.85Å; C358-H371 PolarHBondContact SG-NE2 3.02Å; C358-H375 VanDerWaalsContact CB-CE1 3.44Å; C358-H375 WeakPolarHBondContact CB-CE1 3.41Å; C358-H375 VanDerWaalsContact CB-NE2 3.34Å; C358-H375 WeakPolarHBondContact CB-NE2 3.22Å; C358-H375 PolarHBondContact SG-CE1 2.85Å; C358-H375 PolarHBondContact SG-NE2 3.23Å | ||
| 359 | G | 86.9 | Confident | 88.2 | Confident | 75 Ų | 75 | 66.8 Ų | 66.8 | 77% | 0.773 | 38% | 0.379 | S | S | * | . | trans | -78.9 | 10.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 360 | W | 89.3 | Confident | 88.2 | Confident | 117 Ų | 117 | 65.6 Ų | 65.6 | 44% | 0.443 | 37% | 0.372 | S | S | . | . | trans | -75.2 | 136.7 | -170.1 | -78.4 | 75 | 0 | 0 | 0 | 113 | P38 C353 C358 F362 | P38-W360 HydrophobicContact CB-CH2 4.39Å; P38-W360 HydrophobicContact CG-CH2 3.98Å; P38-W360 HydrophobicContact CG-CZ3 4.26Å; C353-W360 PolarHBondContact N-O 3.35Å; C358-W360 PolarHBondContact O-N 2.85Å; W360-F362 HydrophobicContact CB-CE2 3.86Å; W360-F362 HydrophobicContact CB-CZ 3.7Å; W360-F362 HydrophobicContact CE3-CE1 4.13Å; W360-F362 HydrophobicContact CE3-CZ 4.12Å; W360-F362 HydrophobicContact CG-CZ 4.43Å | ||
| 361 | R | 91.4 | Very high | 88.4 | Confident | 123 Ų | 123 | 64.2 Ų | 64.2 | 46% | 0.464 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 145.3 | 177 | -50.7 | -173.3 | 72.1 | 106.7 | 5 | 112.3 | K349 P350 F351 A352 | K349-R361 HydrophobicContact CB-CB 3.69Å; K349-R361 HydrophobicContact CD-CB 4.29Å; K349-R361 WeakPolarHBondContact CD-O 3.43Å; K349-R361 PolarHBondContact O-NE 2.88Å; K349-R361 PolarHBondContact O-NH2 3.5Å; P350-R361 PolarHBondContact O-NH2 3.2Å; F351-R361 CarbonylContact O-C 3.31Å; F351-R361 VanDerWaalsContact O-CA 3.23Å; F351-R361 WeakPolarHBondContact O-CA 3.33Å; A352-R361 HydrophobicContact CB-CG 4.19Å |
| 362 | F | 87.9 | Confident | 88.4 | Confident | 16 Ų | 16 | 67 Ų | 67 | 7% | 0.07 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 155.2 | -169.5 | -55.6 | -74.5 | 0 | 0 | 0 | 112.2 | K349 F351 W360 E367 L368 H371 | K349-F362 CarbonylContact C-O 3.59Å; K349-F362 VanDerWaalsContact C-O 3.31Å; K349-F362 WeakPolarHBondContact CA-O 3.48Å; F351-F362 HydrophobicContact CB-CB 4.34Å; F351-F362 PolarHBondContact N-O 2.72Å; F351-F362 PolarHBondContact O-N 3.28Å; W360-F362 HydrophobicContact CB-CE2 3.86Å; W360-F362 HydrophobicContact CB-CZ 3.7Å; W360-F362 HydrophobicContact CE3-CE1 4.13Å; W360-F362 HydrophobicContact CE3-CZ 4.12Å; W360-F362 HydrophobicContact CG-CZ 4.43Å; F362-E367 HydrophobicContact CB-CB 4.18Å; F362-E367 HydrophobicContact CB-CG 4.01Å; F362-E367 HydrophobicContact CD1-CB 4.45Å; F362-E367 HydrophobicContact CD1-CG 3.46Å; F362-E367 VanDerWaalsContact CD1-CG 3.46Å; F362-E367 HydrophobicContact CE1-CG 4.24Å; F362-E367 HydrophobicContact CG-CB 4.48Å; F362-E367 HydrophobicContact CG-CG 3.94Å; F362-L368 HydrophobicContact CB-CB 4.39Å; F362-L368 HydrophobicContact CD2-CB 3.83Å; F362-L368 HydrophobicContact CD2-CD1 3.85Å; F362-L368 HydrophobicContact CD2-CG 4.43Å; F362-L368 HydrophobicContact CE2-CD1 3.99Å; F362-L368 HydrophobicContact CG-CB 4.38Å; F362-H371 HydrophobicContact CE1-CB 4.15Å; F362-H371 HydrophobicContact CE2-CB 3.77Å; F362-H371 AromaticContact CE2-CD2 3.31Å; F362-H371 WeakPolarHBondContact CE2-CD2 3.46Å; F362-H371 AromaticContact CE2-CG 3.58Å; F362-H371 HydrophobicContact CZ-CB 3.48Å; F362-H371 VanDerWaalsContact CZ-CB 3.48Å; F362-H371 AromaticContact CZ-CD2 3.45Å; F362-H371 VanDerWaalsContact CZ-CD2 3.45Å; F362-H371 WeakPolarHBondContact CZ-CD2 3.37Å; F362-H371 AromaticContact CZ-CG 3.27Å; F362-H371 AromaticContact CZ-ND1 3.77Å |
| 363 | S | 86.1 | Confident | 88.3 | Confident | 28 Ų | 28 | 69.3 Ų | 69.3 | 20% | 0.196 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -85.5 | -17.2 | -177.5 | 64.3 | 0 | 0 | 0 | 0 | 113.4 | R343 | R343-S363 WeakPolarHBondContact CD-O 3.29Å; R343-S363 PolarHBondContact NH1-O 3.38Å; R343-S363 VanDerWaalsContact NH1-O 3.09Å |
| 364 | R | 84.6 | Confident | 88 | Confident | 119 Ų | 119 | 72.5 Ų | 72.5 | 45% | 0.449 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -137.8 | 149.2 | -175 | -65.1 | 161.2 | 49.5 | 129.1 | -3.8 | 111 | A340 F351 D366 E367 L368 | A340-R364 HydrophobicContact CB-CG 4.36Å; F351-R364 VanDerWaalsContact CE2-CA 3.43Å; R364-D366 WeakPolarHBondContact CB-OD1 3.3Å; R364-D366 IonicContact CZ-OD1 2.77Å; R364-D366 VanDerWaalsContact CZ-OD1 3.3Å; R364-D366 IonicContact CZ-OD2 3.46Å; R364-D366 IonicContact NE-OD1 3.27Å; R364-D366 PolarHBondContact NE-OD1 3.35Å; R364-D366 IonicContact NE-OD2 3.3Å; R364-D366 IonicContact NH2-OD1 2.93Å; R364-D366 PolarHBondContact NH2-OD1 3.08Å; R364-D366 IonicContact NH2-OD2 2.75Å; R364-D366 PolarHBondContact NH2-OD2 2.79Å; R364-E367 HydrophobicContact CB-CB 4.22Å; R364-E367 WeakPolarHBondContact O-CB 3.39Å; R364-E367 PolarHBondContact O-N 3.02Å; R364-L368 PolarHBondContact O-N 2.83Å |
| 365 | S | 86.3 | Confident | 87.8 | Confident | 31 Ų | 31 | 69.5 Ų | 69.5 | 22% | 0.217 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.7 | -48.3 | 177.7 | 47.5 | 0 | 0 | 0 | 0 | 111.5 | F351 E367 L368 S369 | F351-S365 VanDerWaalsContact CE2-N 3.25Å; S365-E367 PolarHBondContact O-N 2.97Å; S365-E367 VanDerWaalsContact O-N 3.15Å; S365-L368 WeakPolarHBondContact O-CA 3.39Å; S365-L368 WeakPolarHBondContact O-CB 3.47Å; S365-L368 PolarHBondContact O-N 3.01Å; S365-S369 PolarHBondContact O-N 2.85Å; S365-S369 PolarHBondContact O-OG 2.93Å; S365-S369 VanDerWaalsContact O-OG 3.11Å |
| 366 | D | 84.6 | Confident | 87.6 | Confident | 75 Ų | 75 | 66.5 Ų | 66.5 | 40% | 0.401 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -59.3 | -29.7 | 178.9 | 77.1 | -51.5 | 0 | 0 | 0 | 113.7 | R364 R370 | R364-D366 WeakPolarHBondContact CB-OD1 3.3Å; R364-D366 IonicContact CZ-OD1 2.77Å; R364-D366 VanDerWaalsContact CZ-OD1 3.3Å; R364-D366 IonicContact CZ-OD2 3.46Å; R364-D366 IonicContact NE-OD1 3.27Å; R364-D366 PolarHBondContact NE-OD1 3.35Å; R364-D366 IonicContact NE-OD2 3.3Å; R364-D366 IonicContact NH2-OD1 2.93Å; R364-D366 PolarHBondContact NH2-OD1 3.08Å; R364-D366 IonicContact NH2-OD2 2.75Å; R364-D366 PolarHBondContact NH2-OD2 2.79Å; D366-R370 WeakPolarHBondContact O-CB 3.44Å; D366-R370 PolarHBondContact O-N 2.8Å |
| 367 | E | 87.6 | Confident | 87.5 | Confident | 55 Ų | 55 | 63.4 Ų | 63.4 | 26% | 0.257 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -71.5 | -43.1 | 174.9 | -175.6 | 170.9 | -132.5 | 0 | 0 | 111.6 | F362 R364 S365 R370 H371 | F362-E367 HydrophobicContact CB-CB 4.18Å; F362-E367 HydrophobicContact CB-CG 4.01Å; F362-E367 HydrophobicContact CD1-CB 4.45Å; F362-E367 HydrophobicContact CD1-CG 3.46Å; F362-E367 VanDerWaalsContact CD1-CG 3.46Å; F362-E367 HydrophobicContact CE1-CG 4.24Å; F362-E367 HydrophobicContact CG-CB 4.48Å; F362-E367 HydrophobicContact CG-CG 3.94Å; R364-E367 HydrophobicContact CB-CB 4.22Å; R364-E367 WeakPolarHBondContact O-CB 3.39Å; R364-E367 PolarHBondContact O-N 3.02Å; S365-E367 PolarHBondContact O-N 2.97Å; S365-E367 VanDerWaalsContact O-N 3.15Å; E367-R370 PolarHBondContact O-N 3.48Å; E367-R370 IonicContact OE1-NH2 2.69Å; E367-R370 PolarHBondContact OE1-NH2 2.96Å; E367-H371 WeakPolarHBondContact O-CB 3.41Å; E367-H371 PolarHBondContact O-N 2.9Å |
| 368 | L | 91.2 | Very high | 87.5 | Confident | 22 Ų | 22 | 61.4 Ų | 61.4 | 12% | 0.115 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.9 | -49.7 | 171.4 | 170.8 | 60.5 | 0 | 0 | 0 | 111.4 | F351 A352 C353 F362 R364 S365 R370 H371 R372 | F351-L368 HydrophobicContact CB-CB 4.05Å; F351-L368 HydrophobicContact CB-CD2 3.86Å; A352-L368 VanDerWaalsContact O-CD2 3.3Å; A352-L368 WeakPolarHBondContact O-CD2 3.24Å; C353-L368 HydrophobicContact CB-CD1 4.11Å; F362-L368 HydrophobicContact CB-CB 4.39Å; F362-L368 HydrophobicContact CD2-CB 3.83Å; F362-L368 HydrophobicContact CD2-CD1 3.85Å; F362-L368 HydrophobicContact CD2-CG 4.43Å; F362-L368 HydrophobicContact CE2-CD1 3.99Å; F362-L368 HydrophobicContact CG-CB 4.38Å; R364-L368 PolarHBondContact O-N 2.83Å; S365-L368 WeakPolarHBondContact O-CA 3.39Å; S365-L368 WeakPolarHBondContact O-CB 3.47Å; S365-L368 PolarHBondContact O-N 3.01Å; L368-R370 PolarHBondContact O-N 3.21Å; L368-H371 CarbonylContact O-C 3.6Å; L368-H371 PolarHBondContact O-N 3.16Å; L368-R372 PolarHBondContact O-N 2.89Å |
| 369 | S | 88.4 | Confident | 87.6 | Confident | 31 Ų | 31 | 66 Ų | 66 | 22% | 0.217 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.4 | -33.7 | 179.5 | -46.2 | 0 | 0 | 0 | 0 | 111.8 | S365 | S365-S369 PolarHBondContact O-N 2.85Å; S365-S369 PolarHBondContact O-OG 2.93Å; S365-S369 VanDerWaalsContact O-OG 3.11Å |
| 370 | R | 87.3 | Confident | 87.6 | Confident | 92 Ų | 92 | 65.9 Ų | 65.9 | 35% | 0.347 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -69.4 | -43.9 | 172.9 | -179.7 | -175.8 | 71.4 | -175 | -2 | 112.2 | D366 E367 L368 R372 R373 R392 | D366-R370 WeakPolarHBondContact O-CB 3.44Å; D366-R370 PolarHBondContact O-N 2.8Å; E367-R370 PolarHBondContact O-N 3.48Å; E367-R370 IonicContact OE1-NH2 2.69Å; E367-R370 PolarHBondContact OE1-NH2 2.96Å; L368-R370 PolarHBondContact O-N 3.21Å; R370-R372 VanDerWaalsContact C-N 3.33Å; R370-R373 WeakPolarHBondContact O-CB 3.26Å; R370-R373 PolarHBondContact O-N 3.23Å; R370-R392 HydrophobicContact CG-CG 4.11Å |
| 371 | H | 90.3 | Very high | 87.7 | Confident | 29 Ų | 29 | 64.1 Ų | 64.1 | 13% | 0.134 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.2 | -38.2 | 174.8 | 167 | 70.3 | 0 | 0 | 0 | 111.8 | C358 F362 E367 L368 R373 S374 H375 | C358-H371 PolarHBondContact SG-NE2 3.02Å; F362-H371 HydrophobicContact CE1-CB 4.15Å; F362-H371 HydrophobicContact CE2-CB 3.77Å; F362-H371 AromaticContact CE2-CD2 3.31Å; F362-H371 WeakPolarHBondContact CE2-CD2 3.46Å; F362-H371 AromaticContact CE2-CG 3.58Å; F362-H371 HydrophobicContact CZ-CB 3.48Å; F362-H371 VanDerWaalsContact CZ-CB 3.48Å; F362-H371 AromaticContact CZ-CD2 3.45Å; F362-H371 VanDerWaalsContact CZ-CD2 3.45Å; F362-H371 WeakPolarHBondContact CZ-CD2 3.37Å; F362-H371 AromaticContact CZ-CG 3.27Å; F362-H371 AromaticContact CZ-ND1 3.77Å; E367-H371 WeakPolarHBondContact O-CB 3.41Å; E367-H371 PolarHBondContact O-N 2.9Å; L368-H371 CarbonylContact O-C 3.6Å; L368-H371 PolarHBondContact O-N 3.16Å; H371-R373 PolarHBondContact O-N 2.75Å; H371-S374 PolarHBondContact O-N 3.48Å; H371-S374 PolarHBondContact O-OG 3.49Å; H371-H375 AromaticContact CD2-NE2 3.3Å; H371-H375 PolarHBondContact CD2-NE2 3.24Å; H371-H375 VanDerWaalsContact CD2-NE2 3.3Å; H371-H375 AromaticContact CE1-NE2 3.08Å; H371-H375 PolarHBondContact CE1-NE2 2.93Å; H371-H375 AromaticContact NE2-NE2 2.4Å; H371-H375 PolarHBondContact NE2-NE2 2.96Å |
| 372 | R | 88.3 | Confident | 87.8 | Confident | 78 Ų | 78 | 62.5 Ų | 62.5 | 29% | 0.294 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -58.6 | -25.7 | 177.7 | -150.6 | 164.5 | 71.5 | -136.9 | 4.8 | 112.8 | E143 L368 R370 S374 H375 | E143-R372 IonicContact OE1-CZ 2.75Å; E143-R372 IonicContact OE1-NH1 3.03Å; E143-R372 PolarHBondContact OE1-NH1 2.9Å; E143-R372 IonicContact OE1-NH2 3.68Å; E143-R372 PolarHBondContact OE1-NH2 3.18Å; E143-R372 IonicContact OE2-NH2 3.8Å; E143-R372 PolarHBondContact OE2-NH2 3.28Å; L368-R372 PolarHBondContact O-N 2.89Å; R370-R372 VanDerWaalsContact C-N 3.33Å; R372-S374 VanDerWaalsContact C-N 3.35Å; R372-H375 PolarHBondContact O-N 3.1Å |
| 373 | R | 87.9 | Confident | 88 | Confident | 82 Ų | 82 | 61.7 Ų | 61.7 | 31% | 0.309 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -72.6 | -17.7 | 172.6 | -58.7 | -178.5 | -167.4 | 115.8 | 10.4 | 114.6 | R370 H371 G377 V378 | R370-R373 WeakPolarHBondContact O-CB 3.26Å; R370-R373 PolarHBondContact O-N 3.23Å; H371-R373 PolarHBondContact O-N 2.75Å; R373-G377 PolarHBondContact O-N 3.1Å; R373-V378 PolarHBondContact O-N 3Å |
| 374 | S | 86.5 | Confident | 88.3 | Confident | 80 Ų | 80 | 65.6 Ų | 65.6 | 56% | 0.559 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -76 | -26.6 | 172.7 | 67.9 | 0 | 0 | 0 | 0 | 112.2 | H371 R372 | H371-S374 PolarHBondContact O-N 3.48Å; H371-S374 PolarHBondContact O-OG 3.49Å; R372-S374 VanDerWaalsContact C-N 3.35Å |
| 375 | H | 87 | Confident | 88.6 | Confident | 66 Ų | 66 | 64.5 Ų | 64.5 | 31% | 0.306 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -73.1 | -40 | 172.9 | -63.3 | -52.6 | 0 | 0 | 0 | 112.2 | C353 W355 C358 H371 R372 | C353-H375 PolarHBondContact SG-NE2 2.99Å; W355-H375 AromaticContact CD1-ND1 3.79Å; W355-H375 HydrophobicContact CD2-CB 3.71Å; W355-H375 AromaticContact CD2-CG 3.75Å; W355-H375 HydrophobicContact CE3-CB 3.77Å; W355-H375 HydrophobicContact CG-CB 4.23Å; W355-H375 AromaticContact CG-CD2 3.76Å; W355-H375 AromaticContact CG-CG 3.71Å; W355-H375 AromaticContact CG-ND1 3.92Å; W355-H375 HydrophobicContact CH2-CB 4.27Å; W355-H375 HydrophobicContact CZ2-CB 4.22Å; W355-H375 HydrophobicContact CZ3-CB 4.06Å; C358-H375 VanDerWaalsContact CB-CE1 3.44Å; C358-H375 WeakPolarHBondContact CB-CE1 3.41Å; C358-H375 VanDerWaalsContact CB-NE2 3.34Å; C358-H375 WeakPolarHBondContact CB-NE2 3.22Å; C358-H375 PolarHBondContact SG-CE1 2.85Å; C358-H375 PolarHBondContact SG-NE2 3.23Å; H371-H375 AromaticContact CD2-NE2 3.3Å; H371-H375 PolarHBondContact CD2-NE2 3.24Å; H371-H375 VanDerWaalsContact CD2-NE2 3.3Å; H371-H375 AromaticContact CE1-NE2 3.08Å; H371-H375 PolarHBondContact CE1-NE2 2.93Å; H371-H375 AromaticContact NE2-NE2 2.4Å; H371-H375 PolarHBondContact NE2-NE2 2.96Å; R372-H375 PolarHBondContact O-N 3.1Å |
| 376 | S | 85.6 | Confident | 88.8 | Confident | 58 Ų | 58 | 65.4 Ų | 65.4 | 41% | 0.406 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -90.4 | -3.1 | -179.2 | 61.4 | 0 | 0 | 0 | 0 | 115 | V378 | S376-V378 PolarHBondContact O-N 3.11Å; S376-V378 WeakPolarHBondContact OG-CG2 3.2Å |
| 377 | G | 85.3 | Confident | 89.1 | Confident | 48 Ų | 48 | 68.5 Ų | 68.5 | 50% | 0.495 | 37% | 0.367 | S | S | . | . | trans | 63.3 | 5.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | R373 K379 | R373-G377 PolarHBondContact O-N 3.1Å; G377-K379 PolarHBondContact O-N 3.24Å | ||
| 378 | V | 87.2 | Confident | 89.3 | Confident | 51 Ų | 51 | 72.2 Ų | 72.2 | 31% | 0.309 | 38% | 0.383 | S | S | . | . | trans | -67.1 | 119.6 | -170.2 | 176 | 0 | 0 | 0 | 0 | 111.3 | R373 S376 P380 | R373-V378 PolarHBondContact O-N 3Å; S376-V378 PolarHBondContact O-N 3.11Å; S376-V378 WeakPolarHBondContact OG-CG2 3.2Å; V378-P380 VanDerWaalsContact O-CD 3.27Å; V378-P380 WeakPolarHBondContact O-CD 3.37Å | ||
| 379 | K | 89.4 | Confident | 89.3 | Confident | 109 Ų | 109 | 77.1 Ų | 77.1 | 47% | 0.474 | 40% | 0.403 | S | S | . | . | trans | -113 | 79.4 | -179.8 | -69.5 | 171.4 | -176.7 | 179 | 0 | 110.8 | G377 Y381 K389 F390 A391 | G377-K379 PolarHBondContact O-N 3.24Å; K379-Y381 VanDerWaalsContact C-N 3.31Å; K379-Y381 PolarHBondContact O-N 3.06Å; K379-K389 HydrophobicContact CB-CB 3.77Å; K379-F390 CarbonylContact C-O 3.59Å; K379-F390 VanDerWaalsContact C-O 3.29Å; K379-F390 WeakPolarHBondContact CA-O 3.32Å; K379-A391 HydrophobicContact CG-CB 4.31Å | ||
| 380 | P | 87.4 | Confident | 89.4 | Confident | 74 Ų | 74 | 77.7 Ų | 77.7 | 48% | 0.481 | 40% | 0.402 | S | S | . | . | trans | -80.8 | -5.5 | -168.9 | 33.8 | -35.2 | 0 | 0 | 0 | 114.1 | V378 F390 | V378-P380 VanDerWaalsContact O-CD 3.27Å; V378-P380 WeakPolarHBondContact O-CD 3.37Å; P380-F390 WeakPolarHBondContact CD-O 3.35Å | ||
| 381 | Y | 91.3 | Very high | 89.4 | Confident | 79 Ų | 79 | 74.9 Ų | 74.9 | 31% | 0.31 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 98.5 | -176.1 | -57.7 | -73.5 | 0 | 0 | 0 | 110.8 | K379 K389 F390 R392 S393 | K379-Y381 VanDerWaalsContact C-N 3.31Å; K379-Y381 PolarHBondContact O-N 3.06Å; Y381-K389 CarbonylContact O-C 3.29Å; Y381-F390 WeakPolarHBondContact CB-O 3.45Å; Y381-F390 WeakPolarHBondContact CD2-O 3.45Å; Y381-F390 PolarHBondContact N-O 3.31Å; Y381-F390 VanDerWaalsContact N-O 3.08Å; Y381-F390 PolarHBondContact O-N 3.37Å; Y381-R392 VanDerWaalsContact CD2-CA 3.48Å; Y381-S393 VanDerWaalsContact CD2-N 3.29Å; Y381-S393 VanDerWaalsContact CE2-N 3.33Å |
| 382 | Q | 93.5 | Very high | 89.3 | Confident | 89 Ų | 89 | 77 Ų | 77 | 42% | 0.416 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 142.1 | 179.6 | -174.2 | 160.5 | -16.3 | 0 | 0 | 112.3 | E387 K389 L396 | Q382-E387 WeakPolarHBondContact CG-O 3.46Å; Q382-K389 HydrophobicContact CB-CG 4.32Å; Q382-K389 HydrophobicContact CG-CG 4.24Å; Q382-L396 WeakPolarHBondContact O-CD2 3.47Å |
| 383 | C | 92.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 76.1 Ų | 76.1 | 0% | 0 | 41% | 0.411 | C | S | . | . | trans | -75.3 | 125.9 | 170.4 | -172.9 | 0 | 0 | 0 | 0 | 111 | V385 E387 K388 F390 L396 H399 | C383-V385 PolarHBondContact O-N 3.38Å; C383-V385 PolarHBondContact SG-N 3.01Å; C383-E387 WeakPolarHBondContact O-CA 3.46Å; C383-E387 PolarHBondContact O-N 3.01Å; C383-K388 WeakPolarHBondContact CB-O 3.48Å; C383-K388 PolarHBondContact N-O 3.32Å; C383-F390 HydrophobicContact CB-CE2 4.35Å; C383-L396 HydrophobicContact CB-CD1 3.94Å; C383-H399 VanDerWaalsContact SG-CD2 3.57Å; C383-H399 PolarHBondContact SG-NE2 2.86Å | ||
| 384 | P | 91.1 | Very high | 89.5 | Confident | 110 Ų | 110 | 74.5 Ų | 74.5 | 71% | 0.714 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -2.4 | 178 | 32.1 | -36.6 | 0 | 0 | 0 | 113.9 | ||
| 385 | V | 90.8 | Very high | 89.8 | Confident | 95 Ų | 95 | 74 Ų | 74 | 58% | 0.576 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.7 | -37.9 | -176.9 | -175.6 | 0 | 0 | 0 | 0 | 112.4 | C383 H403 | C383-V385 PolarHBondContact O-N 3.38Å; C383-V385 PolarHBondContact SG-N 3.01Å; V385-H403 HydrophobicContact CG1-CB 4.2Å; V385-H403 HydrophobicContact CG2-CB 4.41Å |
| 386 | C | 91.9 | Very high | 90.2 | Very high | 51 Ų | 51 | 71.9 Ų | 71.9 | 35% | 0.345 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -139.4 | 18.9 | -176.6 | 75.8 | 0 | 0 | 0 | 0 | 113.3 | K388 H399 H403 | C386-K388 PolarHBondContact O-N 3.42Å; C386-H399 PolarHBondContact SG-NE2 3.09Å; C386-H403 VanDerWaalsContact SG-CE1 3.51Å; C386-H403 PolarHBondContact SG-NE2 3.15Å |
| 387 | E | 90.1 | Very high | 90.5 | Very high | 139 Ų | 139 | 72.4 Ų | 72.4 | 65% | 0.65 | 39% | 0.392 | S | S | * | . | trans | 57.7 | -1 | 172.9 | -58.4 | -170.2 | -177.6 | 0 | 0 | 117.9 | Q382 C383 K389 | Q382-E387 WeakPolarHBondContact CG-O 3.46Å; C383-E387 WeakPolarHBondContact O-CA 3.46Å; C383-E387 PolarHBondContact O-N 3.01Å; E387-K389 PolarHBondContact O-N 3.1Å | ||
| 388 | K | 91 | Very high | 90.8 | Very high | 134 Ų | 134 | 75.8 Ų | 75.8 | 58% | 0.583 | 39% | 0.393 | S | S | * | . | trans | -54.2 | 125.3 | 174.2 | -71.6 | -171.1 | 177.8 | -166.6 | 0 | 110.4 | C383 C386 F390 | C383-K388 WeakPolarHBondContact CB-O 3.48Å; C383-K388 PolarHBondContact N-O 3.32Å; C386-K388 PolarHBondContact O-N 3.42Å; K388-F390 HydrophobicContact CB-CE2 3.93Å; K388-F390 HydrophobicContact CB-CZ 4.05Å; K388-F390 WeakPolarHBondContact O-CD2 3.27Å; K388-F390 WeakPolarHBondContact O-CE2 3.29Å | ||
| 389 | K | 92.4 | Very high | 91 | Very high | 125 Ų | 125 | 75 Ų | 75 | 54% | 0.543 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 139.6 | -177.7 | -58.7 | -177.2 | -178.3 | 174.4 | 0 | 111 | K379 Y381 Q382 E387 | K379-K389 HydrophobicContact CB-CB 3.77Å; Y381-K389 CarbonylContact O-C 3.29Å; Q382-K389 HydrophobicContact CB-CG 4.32Å; Q382-K389 HydrophobicContact CG-CG 4.24Å; E387-K389 PolarHBondContact O-N 3.1Å |
| 390 | F | 89.7 | Confident | 91.1 | Very high | 42 Ų | 42 | 71.6 Ų | 71.6 | 18% | 0.184 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 144.4 | -177.3 | -60.8 | -88.2 | 0 | 0 | 0 | 111.2 | K379 P380 Y381 C383 K388 R392 H395 L396 H399 | K379-F390 CarbonylContact C-O 3.59Å; K379-F390 VanDerWaalsContact C-O 3.29Å; K379-F390 WeakPolarHBondContact CA-O 3.32Å; P380-F390 WeakPolarHBondContact CD-O 3.35Å; Y381-F390 WeakPolarHBondContact CB-O 3.45Å; Y381-F390 WeakPolarHBondContact CD2-O 3.45Å; Y381-F390 PolarHBondContact N-O 3.31Å; Y381-F390 VanDerWaalsContact N-O 3.08Å; Y381-F390 PolarHBondContact O-N 3.37Å; C383-F390 HydrophobicContact CB-CE2 4.35Å; K388-F390 HydrophobicContact CB-CE2 3.93Å; K388-F390 HydrophobicContact CB-CZ 4.05Å; K388-F390 WeakPolarHBondContact O-CD2 3.27Å; K388-F390 WeakPolarHBondContact O-CE2 3.29Å; F390-R392 PolarHBondContact O-N 3.04Å; F390-H395 HydrophobicContact CB-CB 4.4Å; F390-H395 HydrophobicContact CD1-CB 3.86Å; F390-H395 HydrophobicContact CG-CB 4.39Å; F390-L396 HydrophobicContact CB-CB 4.31Å; F390-L396 HydrophobicContact CD2-CB 3.91Å; F390-L396 HydrophobicContact CD2-CD1 3.84Å; F390-L396 HydrophobicContact CD2-CG 4.48Å; F390-L396 HydrophobicContact CE2-CD1 4.01Å; F390-L396 HydrophobicContact CG-CB 4.23Å; F390-H399 HydrophobicContact CE1-CB 4.05Å; F390-H399 HydrophobicContact CE2-CB 4.02Å; F390-H399 AromaticContact CE2-CD2 3.45Å; F390-H399 VanDerWaalsContact CE2-CD2 3.45Å; F390-H399 WeakPolarHBondContact CE2-CD2 3.4Å; F390-H399 AromaticContact CE2-CG 3.76Å; F390-H399 HydrophobicContact CZ-CB 3.52Å; F390-H399 AromaticContact CZ-CD2 3.45Å; F390-H399 VanDerWaalsContact CZ-CD2 3.45Å; F390-H399 WeakPolarHBondContact CZ-CD2 3.3Å; F390-H399 AromaticContact CZ-CG 3.29Å; F390-H399 AromaticContact CZ-ND1 3.82Å |
| 391 | A | 88.3 | Confident | 91.3 | Very high | 34 Ų | 34 | 74.6 Ų | 74.6 | 28% | 0.281 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -72.8 | -15 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | K379 | K379-A391 HydrophobicContact CG-CB 4.31Š|
| 392 | R | 88.2 | Confident | 91.1 | Very high | 72 Ų | 72 | 74.3 Ų | 74.3 | 27% | 0.272 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -140.6 | 141.3 | -175.6 | -59.7 | 161.3 | 47.8 | 171 | -6.9 | 112.5 | R370 Y381 F390 D394 H395 L396 | R370-R392 HydrophobicContact CG-CG 4.11Å; Y381-R392 VanDerWaalsContact CD2-CA 3.48Å; F390-R392 PolarHBondContact O-N 3.04Å; R392-D394 VanDerWaalsContact C-N 3.31Å; R392-D394 WeakPolarHBondContact CB-OD1 3.46Å; R392-D394 IonicContact CZ-OD1 3.27Å; R392-D394 VanDerWaalsContact CZ-OD1 3.27Å; R392-D394 IonicContact CZ-OD2 3.95Å; R392-D394 IonicContact NE-OD1 2.82Å; R392-D394 PolarHBondContact NE-OD1 3.01Å; R392-D394 VanDerWaalsContact NH2-CG 3.28Å; R392-D394 IonicContact NH2-OD1 2.88Å; R392-D394 PolarHBondContact NH2-OD1 2.83Å; R392-D394 IonicContact NH2-OD2 3.01Å; R392-D394 PolarHBondContact NH2-OD2 3.13Å; R392-D394 PolarHBondContact O-N 2.95Å; R392-H395 VanDerWaalsContact CD-CD2 3.46Å; R392-H395 WeakPolarHBondContact CD-CD2 3.2Å; R392-H395 WeakPolarHBondContact CD-NE2 3.32Å; R392-H395 VanDerWaalsContact CZ-NE2 3.29Å; R392-H395 PolarHBondContact NE-NE2 3.46Å; R392-H395 PolarHBondContact NH1-NE2 3.3Å; R392-H395 PolarHBondContact O-N 2.92Å; R392-L396 PolarHBondContact O-N 2.86Å |
| 393 | S | 90.5 | Very high | 90.7 | Very high | 60 Ų | 60 | 73.5 Ų | 73.5 | 42% | 0.42 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -64.9 | -29.5 | 178.5 | 55.5 | 0 | 0 | 0 | 0 | 113.7 | Y381 S397 | Y381-S393 VanDerWaalsContact CD2-N 3.29Å; Y381-S393 VanDerWaalsContact CE2-N 3.33Å; S393-S397 VanDerWaalsContact O-CB 3.32Å; S393-S397 WeakPolarHBondContact O-CB 3.47Å; S393-S397 PolarHBondContact O-N 2.98Å; S393-S397 PolarHBondContact O-OG 3.2Å |
| 394 | D | 90.3 | Very high | 90 | Very high | 48 Ų | 48 | 81.9 Ų | 81.9 | 26% | 0.257 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -73.3 | -31.9 | 177.4 | 79.1 | -71 | 0 | 0 | 0 | 112.7 | R392 S397 K398 | R392-D394 VanDerWaalsContact C-N 3.31Å; R392-D394 WeakPolarHBondContact CB-OD1 3.46Å; R392-D394 IonicContact CZ-OD1 3.27Å; R392-D394 VanDerWaalsContact CZ-OD1 3.27Å; R392-D394 IonicContact CZ-OD2 3.95Å; R392-D394 IonicContact NE-OD1 2.82Å; R392-D394 PolarHBondContact NE-OD1 3.01Å; R392-D394 VanDerWaalsContact NH2-CG 3.28Å; R392-D394 IonicContact NH2-OD1 2.88Å; R392-D394 PolarHBondContact NH2-OD1 2.83Å; R392-D394 IonicContact NH2-OD2 3.01Å; R392-D394 PolarHBondContact NH2-OD2 3.13Å; R392-D394 PolarHBondContact O-N 2.95Å; D394-S397 PolarHBondContact O-N 3.41Å; D394-K398 WeakPolarHBondContact O-CD 3.32Å; D394-K398 VanDerWaalsContact O-CG 3.26Å; D394-K398 WeakPolarHBondContact O-CG 3.4Å; D394-K398 PolarHBondContact O-N 3.12Å; D394-K398 IonicContact OD2-NZ 3.2Å; D394-K398 PolarHBondContact OD2-NZ 3.21Å |
| 395 | H | 92.4 | Very high | 89 | Confident | 69 Ų | 69 | 84.2 Ų | 84.2 | 32% | 0.319 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -68.9 | -46.5 | 171 | -65.1 | -48.2 | 0 | 0 | 0 | 111 | F390 R392 S397 K398 H399 | F390-H395 HydrophobicContact CB-CB 4.4Å; F390-H395 HydrophobicContact CD1-CB 3.86Å; F390-H395 HydrophobicContact CG-CB 4.39Å; R392-H395 VanDerWaalsContact CD-CD2 3.46Å; R392-H395 WeakPolarHBondContact CD-CD2 3.2Å; R392-H395 WeakPolarHBondContact CD-NE2 3.32Å; R392-H395 VanDerWaalsContact CZ-NE2 3.29Å; R392-H395 PolarHBondContact NE-NE2 3.46Å; R392-H395 PolarHBondContact NH1-NE2 3.3Å; R392-H395 PolarHBondContact O-N 2.92Å; H395-S397 VanDerWaalsContact C-N 3.28Å; H395-S397 PolarHBondContact O-N 3.46Å; H395-K398 PolarHBondContact O-N 3.41Å; H395-H399 WeakPolarHBondContact O-CB 3.35Å; H395-H399 PolarHBondContact O-N 3.39Å |
| 396 | L | 94.2 | Very high | 87.8 | Confident | 23 Ų | 23 | 84.4 Ų | 84.4 | 12% | 0.12 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -55.3 | -45.3 | 171.9 | 173.2 | 61.1 | 0 | 0 | 0 | 111.3 | Q382 C383 F390 R392 K398 H399 I400 | Q382-L396 WeakPolarHBondContact O-CD2 3.47Å; C383-L396 HydrophobicContact CB-CD1 3.94Å; F390-L396 HydrophobicContact CB-CB 4.31Å; F390-L396 HydrophobicContact CD2-CB 3.91Å; F390-L396 HydrophobicContact CD2-CD1 3.84Å; F390-L396 HydrophobicContact CD2-CG 4.48Å; F390-L396 HydrophobicContact CE2-CD1 4.01Å; F390-L396 HydrophobicContact CG-CB 4.23Å; R392-L396 PolarHBondContact O-N 2.86Å; L396-K398 VanDerWaalsContact C-N 3.34Å; L396-K398 PolarHBondContact O-N 3Å; L396-H399 PolarHBondContact O-N 3.05Å; L396-I400 HydrophobicContact CD1-CD1 3.69Å; L396-I400 HydrophobicContact CD1-CG1 3.86Å; L396-I400 HydrophobicContact CD2-CD1 4.36Å; L396-I400 HydrophobicContact CG-CD1 3.75Å; L396-I400 HydrophobicContact CG-CG1 4.34Å; L396-I400 WeakPolarHBondContact O-CB 3.29Å; L396-I400 WeakPolarHBondContact O-CG1 3.4Å; L396-I400 PolarHBondContact O-N 3.23Å |
| 397 | S | 92.8 | Very high | 86.1 | Confident | 69 Ų | 69 | 93.1 Ų | 93.1 | 48% | 0.483 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -64.8 | -34.3 | -179.9 | -60.6 | 0 | 0 | 0 | 0 | 113.2 | S393 D394 H395 | S393-S397 VanDerWaalsContact O-CB 3.32Å; S393-S397 WeakPolarHBondContact O-CB 3.47Å; S393-S397 PolarHBondContact O-N 2.98Å; S393-S397 PolarHBondContact O-OG 3.2Å; D394-S397 PolarHBondContact O-N 3.41Å; H395-S397 VanDerWaalsContact C-N 3.28Å; H395-S397 PolarHBondContact O-N 3.46Å |
| 398 | K | 91 | Very high | 84.3 | Confident | 119 Ų | 119 | 91.8 Ų | 91.8 | 52% | 0.517 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -70.5 | -44.9 | 172 | -72.6 | 161.3 | -177.4 | 160.1 | 0 | 110.9 | D394 H395 L396 K401 | D394-K398 WeakPolarHBondContact O-CD 3.32Å; D394-K398 VanDerWaalsContact O-CG 3.26Å; D394-K398 WeakPolarHBondContact O-CG 3.4Å; D394-K398 PolarHBondContact O-N 3.12Å; D394-K398 IonicContact OD2-NZ 3.2Å; D394-K398 PolarHBondContact OD2-NZ 3.21Å; H395-K398 PolarHBondContact O-N 3.41Å; L396-K398 VanDerWaalsContact C-N 3.34Å; L396-K398 PolarHBondContact O-N 3Å; K398-K401 WeakPolarHBondContact O-CB 3.25Å; K398-K401 PolarHBondContact O-N 3.18Å; K398-K401 VanDerWaalsContact O-N 3.13Å |
| 399 | H | 92.4 | Very high | 82.3 | Confident | 33 Ų | 33 | 90.3 Ų | 90.3 | 15% | 0.153 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -62.4 | -41.9 | 178.9 | 172.4 | 70.4 | 0 | 0 | 0 | 112.7 | C383 C386 F390 H395 L396 K401 V402 H403 | C383-H399 VanDerWaalsContact SG-CD2 3.57Å; C383-H399 PolarHBondContact SG-NE2 2.86Å; C386-H399 PolarHBondContact SG-NE2 3.09Å; F390-H399 HydrophobicContact CE1-CB 4.05Å; F390-H399 HydrophobicContact CE2-CB 4.02Å; F390-H399 AromaticContact CE2-CD2 3.45Å; F390-H399 VanDerWaalsContact CE2-CD2 3.45Å; F390-H399 WeakPolarHBondContact CE2-CD2 3.4Å; F390-H399 AromaticContact CE2-CG 3.76Å; F390-H399 HydrophobicContact CZ-CB 3.52Å; F390-H399 AromaticContact CZ-CD2 3.45Å; F390-H399 VanDerWaalsContact CZ-CD2 3.45Å; F390-H399 WeakPolarHBondContact CZ-CD2 3.3Å; F390-H399 AromaticContact CZ-CG 3.29Å; F390-H399 AromaticContact CZ-ND1 3.82Å; H395-H399 WeakPolarHBondContact O-CB 3.35Å; H395-H399 PolarHBondContact O-N 3.39Å; L396-H399 PolarHBondContact O-N 3.05Å; H399-K401 PolarHBondContact O-N 3.25Å; H399-K401 VanDerWaalsContact O-N 3.1Å; H399-V402 VanDerWaalsContact O-CB 3.29Å; H399-V402 WeakPolarHBondContact O-CB 3.43Å; H399-V402 PolarHBondContact O-N 3.01Å; H399-H403 AromaticContact CD2-NE2 3.84Å; H399-H403 AromaticContact CE1-NE2 3.39Å; H399-H403 PolarHBondContact CE1-NE2 3.36Å; H399-H403 AromaticContact NE2-CD2 3.73Å; H399-H403 AromaticContact NE2-NE2 3Å; H399-H403 PolarHBondContact NE2-NE2 3.21Å |
| 400 | I | 90.9 | Very high | 80.3 | Confident | 39 Ų | 39 | 95.3 Ų | 95.3 | 20% | 0.2 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -58.3 | -24.5 | 174.8 | -74.2 | 171.1 | 0 | 0 | 0 | 112.6 | L396 V402 | L396-I400 HydrophobicContact CD1-CD1 3.69Å; L396-I400 HydrophobicContact CD1-CG1 3.86Å; L396-I400 HydrophobicContact CD2-CD1 4.36Å; L396-I400 HydrophobicContact CG-CD1 3.75Å; L396-I400 HydrophobicContact CG-CG1 4.34Å; L396-I400 WeakPolarHBondContact O-CB 3.29Å; L396-I400 WeakPolarHBondContact O-CG1 3.4Å; L396-I400 PolarHBondContact O-N 3.23Å; I400-V402 VanDerWaalsContact C-N 3.34Å |
| 401 | K | 90.8 | Very high | 78.3 | Confident | 136 Ų | 136 | 98.1 Ų | 98.1 | 59% | 0.591 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -72.4 | -27.3 | 173.7 | -62.6 | 177.1 | -177.7 | -172.6 | 0 | 112.7 | K398 H399 H403 R404 F405 | K398-K401 WeakPolarHBondContact O-CB 3.25Å; K398-K401 PolarHBondContact O-N 3.18Å; K398-K401 VanDerWaalsContact O-N 3.13Å; H399-K401 PolarHBondContact O-N 3.25Å; H399-K401 VanDerWaalsContact O-N 3.1Å; K401-H403 VanDerWaalsContact C-N 3.3Å; K401-R404 PolarHBondContact O-N 2.81Å; K401-F405 PolarHBondContact O-N 2.98Å |
| 402 | V | 87.9 | Confident | 76.6 | Confident | 73 Ų | 73 | 102.5 Ų | 102.5 | 44% | 0.442 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.7 | -34.4 | 175.9 | -173.5 | 0 | 0 | 0 | 0 | 110.8 | H399 I400 R404 F405 P406 | H399-V402 VanDerWaalsContact O-CB 3.29Å; H399-V402 WeakPolarHBondContact O-CB 3.43Å; H399-V402 PolarHBondContact O-N 3.01Å; I400-V402 VanDerWaalsContact C-N 3.34Å; V402-R404 VanDerWaalsContact C-N 3.33Å; V402-F405 CarbonylContact O-C 3.13Å; V402-P406 VanDerWaalsContact O-CA 3.27Å; V402-P406 WeakPolarHBondContact O-CA 3.28Å |
| 403 | H | 85.1 | Confident | 74.7 | Confident | 72 Ų | 72 | 109.7 Ų | 109.7 | 33% | 0.333 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -71.3 | -25.1 | 173.1 | -64.6 | -60 | 0 | 0 | 0 | 113.8 | V385 C386 H399 K401 | V385-H403 HydrophobicContact CG1-CB 4.2Å; V385-H403 HydrophobicContact CG2-CB 4.41Å; C386-H403 VanDerWaalsContact SG-CE1 3.51Å; C386-H403 PolarHBondContact SG-NE2 3.15Å; H399-H403 AromaticContact CD2-NE2 3.84Å; H399-H403 AromaticContact CE1-NE2 3.39Å; H399-H403 PolarHBondContact CE1-NE2 3.36Å; H399-H403 AromaticContact NE2-CD2 3.73Å; H399-H403 AromaticContact NE2-NE2 3Å; H399-H403 PolarHBondContact NE2-NE2 3.21Å; K401-H403 VanDerWaalsContact C-N 3.3Å |
| 404 | R | 78.5 | Confident | 72.6 | Confident | 176 Ų | 176 | 112 Ų | 112 | 66% | 0.664 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -84.1 | -32.1 | 175 | -76.4 | -177.5 | 161.7 | 76.6 | -0 | 113.1 | K401 V402 | K401-R404 PolarHBondContact O-N 2.81Å; V402-R404 VanDerWaalsContact C-N 3.33Å |
| 405 | F | 70.4 | Confident | 70.8 | Confident | 159 Ų | 159 | 116.6 Ų | 116.6 | 70% | 0.697 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -132.6 | 74.4 | 178.5 | -56 | -74.3 | 0 | 0 | 0 | 107.7 | K401 V402 R407 | K401-F405 PolarHBondContact O-N 2.98Å; V402-F405 CarbonylContact O-C 3.13Å; F405-R407 PolarHBondContact O-N 3.4Å; F405-R407 VanDerWaalsContact O-N 3.16Å |
| 406 | P | 64.4 | Low | 68.9 | Low | 99 Ų | 99 | 124 Ų | 124 | 64% | 0.643 | 63% | 0.631 | S | S | * | * | trans | -55.3 | 127.1 | 168.1 | 24.6 | -32.9 | 0 | 0 | 0 | 106.2 | V402 S408 | V402-P406 VanDerWaalsContact O-CA 3.27Å; V402-P406 WeakPolarHBondContact O-CA 3.28Å; P406-S408 PolarHBondContact O-N 2.95Å | ||
| 407 | R | 56.8 | Low | 67.6 | Low | 234 Ų | 234 | 129.1 Ų | 129.1 | 88% | 0.883 | 66% | 0.656 | S | S | * | * | trans | -60.3 | 110.6 | 176.4 | -82.6 | -175.6 | 155.2 | 97.6 | -2.4 | 106.6 | F405 S409 | F405-R407 PolarHBondContact O-N 3.4Å; F405-R407 VanDerWaalsContact O-N 3.16Å; R407-S409 PolarHBondContact O-N 3Å | ||
| 408 | S | 52.7 | Low | 66.3 | Low | 112 Ų | 112 | 132.2 Ų | 132.2 | 78% | 0.783 | 67% | 0.666 | S | S | * | * | trans | -45.7 | 129.1 | 168.1 | -177.5 | 0 | 0 | 0 | 0 | 107.3 | P406 R410 | P406-S408 PolarHBondContact O-N 2.95Å; S408-R410 PolarHBondContact O-N 3.06Å | ||
| 409 | S | 49.7 | Very low | 65 | Low | 103 Ų | 103 | 132.9 Ų | 132.9 | 72% | 0.72 | 67% | 0.674 | S | S | * | * | trans | -48.2 | 133.3 | -175.6 | 36.1 | 0 | 0 | 0 | 0 | 109.1 | R407 S411 | R407-S409 PolarHBondContact O-N 3Å; S409-S411 PolarHBondContact O-N 3.44Å | ||
| 410 | R | 49.7 | Very low | 63.3 | Low | 229 Ų | 229 | 138.8 Ų | 138.8 | 86% | 0.864 | 70% | 0.704 | S | S | * | * | trans | -56.3 | 104.8 | 177.5 | -169.1 | -174.1 | -61.5 | -178.6 | 3.5 | 106.1 | S408 V412 | S408-R410 PolarHBondContact O-N 3.06Å; R410-V412 PolarHBondContact O-N 3.36Å | ||
| 411 | S | 47.5 | Very low | 61.6 | Low | 102 Ų | 102 | 145.1 Ų | 145.1 | 71% | 0.713 | 74% | 0.736 | S | S | * | * | trans | -55.4 | 109.8 | -175.8 | 172.8 | 0 | 0 | 0 | 0 | 107.5 | S409 R413 | S409-S411 PolarHBondContact O-N 3.44Å; S411-R413 VanDerWaalsContact C-N 3.28Å; S411-R413 PolarHBondContact O-N 3.14Å | ||
| 412 | V | 52.2 | Low | 59.7 | Low | 126 Ų | 126 | 145.7 Ų | 145.7 | 76% | 0.764 | 75% | 0.746 | S | S | * | * | trans | -66 | 100.6 | 169.4 | -179.5 | 0 | 0 | 0 | 0 | 104.2 | R410 S414 | R410-V412 PolarHBondContact O-N 3.36Å; V412-S414 VanDerWaalsContact C-N 3.28Å; V412-S414 PolarHBondContact O-N 3.29Å | ||
| 413 | R | 47.8 | Very low | 57.7 | Low | 222 Ų | 222 | 150.9 Ų | 150.9 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | trans | -63.5 | 101.3 | 163.8 | -73.2 | -176.3 | 180 | 174.9 | -0.6 | 105.4 | S411 V415 | S411-R413 VanDerWaalsContact C-N 3.28Å; S411-R413 PolarHBondContact O-N 3.14Å; R413-V415 PolarHBondContact O-N 3.47Å | ||
| 414 | S | 47.9 | Very low | 55.5 | Low | 109 Ų | 109 | 156.9 Ų | 156.9 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | trans | -56 | 108.2 | 160.1 | -66.5 | 0 | 0 | 0 | 0 | 106.6 | V412 | V412-S414 VanDerWaalsContact C-N 3.28Å; V412-S414 PolarHBondContact O-N 3.29Å | ||
| 415 | V | 52.1 | Low | 53.6 | Low | 145 Ų | 145 | 155.3 Ų | 155.3 | 88% | 0.879 | 81% | 0.812 | S | S | * | * | trans | -78.9 | 116.1 | 160.7 | -175.9 | 0 | 0 | 0 | 0 | 104.5 | R413 | R413-V415 PolarHBondContact O-N 3.47Š| ||
| 416 | N | 52.3 | Low | 52.1 | Low | 224 Ų | 224 | 155 Ų | 155 | 100% | 1.198 | 82% | 0.822 | S | S | * | * | trans | -132.5 | 0 | 179.1 | -166.5 | 65.7 | 0 | 0 | 0 | 107.6 |
Retrieved 416 of 416 residues in 46.8 ms
(Link to these results)