| 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 | 49.9 | Very low | 39.1 | Very low | 204 Ų | 204 | 129.1 Ų | 129.1 | 100% | 1.005 | 69% | 0.693 | S | S | * | * | 0 | -27.1 | 0 | -131 | 174 | -82.8 | 0 | 0 | 115.8 | |||||
| 2 | L | 38.8 | Very low | 39 | Very low | 168 Ų | 168 | 131 Ų | 131 | 88% | 0.88 | 70% | 0.698 | S | S | * | * | trans | -102.2 | -8.7 | 175.4 | -89.9 | 165.1 | 0 | 0 | 0 | 116.4 | ||||
| 3 | K | 34.7 | Very low | 39.5 | Very low | 195 Ų | 195 | 135.3 Ų | 135.3 | 85% | 0.848 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -92.7 | -12.6 | 172.6 | -73.3 | -169.6 | 172.8 | -175.7 | 0 | 114.4 | ||
| 4 | E | 38.2 | Very low | 38.7 | Very low | 139 Ų | 139 | 129.8 Ų | 129.8 | 65% | 0.65 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -86.5 | -30.9 | -172.1 | -146.7 | 160.7 | -176.8 | 0 | 0 | 111.7 | A6 Q7 | E4-A6 VanDerWaalsContact C-N 3.34Å; E4-A6 PolarHBondContact O-N 3.21Å; E4-Q7 PolarHBondContact O-N 3.42Å |
| 5 | V | 43.5 | Very low | 38.3 | Very low | 95 Ų | 95 | 127.7 Ų | 127.7 | 58% | 0.576 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -66.8 | -33.2 | 177.5 | -176.8 | 0 | 0 | 0 | 0 | 112.2 | Q7 | V5-Q7 VanDerWaalsContact C-N 3.26Å; V5-Q7 PolarHBondContact O-N 3.48Å |
| 6 | A | 37.1 | Very low | 37.9 | Very low | 57 Ų | 57 | 126.9 Ų | 126.9 | 47% | 0.471 | 71% | 0.713 | S | S | . | * | H | α-helix | trans | -73.6 | -14.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | E4 N10 | E4-A6 VanDerWaalsContact C-N 3.34Å; E4-A6 PolarHBondContact O-N 3.21Å; A6-N10 PolarHBondContact O-ND2 3.37Å; A6-N10 VanDerWaalsContact O-ND2 3.1Å |
| 7 | Q | 36 | Very low | 37.6 | Very low | 156 Ų | 156 | 133.8 Ų | 133.8 | 73% | 0.729 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -94.2 | -23.8 | -177 | -148.1 | 168.2 | 1 | 0 | 0 | 112.4 | E4 V5 | E4-Q7 PolarHBondContact O-N 3.42Å; V5-Q7 VanDerWaalsContact C-N 3.26Å; V5-Q7 PolarHBondContact O-N 3.48Å |
| 8 | V | 40.1 | Very low | 37.3 | Very low | 89 Ų | 89 | 137.6 Ų | 137.6 | 54% | 0.539 | 73% | 0.734 | S | S | . | * | H | α-helix | trans | -79 | -39.8 | 176.9 | -179.4 | 0 | 0 | 0 | 0 | 111.7 | N10 S11 | V8-N10 PolarHBondContact O-N 2.94Å; V8-S11 PolarHBondContact O-N 2.86Å |
| 9 | T | 40.2 | Very low | 36.9 | Very low | 82 Ų | 82 | 141.1 Ų | 141.1 | 50% | 0.503 | 74% | 0.742 | S | S | . | * | H | α-helix | trans | -66.6 | -34.5 | -177.1 | 49.6 | 0 | 0 | 0 | 0 | 113.6 | S11 | T9-S11 PolarHBondContact O-N 2.95Å |
| 10 | N | 33.9 | Very low | 36.3 | Very low | 134 Ų | 134 | 144.1 Ų | 144.1 | 72% | 0.717 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | -15.4 | 176.3 | -81.2 | -60.8 | 0 | 0 | 0 | 114 | A6 V8 | A6-N10 PolarHBondContact O-ND2 3.37Å; A6-N10 VanDerWaalsContact O-ND2 3.1Å; V8-N10 PolarHBondContact O-N 2.94Å |
| 11 | S | 38.2 | Very low | 36 | Very low | 101 Ų | 101 | 143 Ų | 143 | 71% | 0.706 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -23.3 | -179.2 | -163.3 | 0 | 0 | 0 | 0 | 113.5 | V8 T9 | V8-S11 PolarHBondContact O-N 2.86Å; T9-S11 PolarHBondContact O-N 2.95Å |
| 12 | M | 37.3 | Very low | 34.9 | Very low | 152 Ų | 152 | 142.6 Ų | 142.6 | 75% | 0.749 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -88.9 | -13.8 | -173.2 | -69.8 | -170 | -178.9 | 0 | 0 | 115.3 | ||
| 13 | F | 45.3 | Very low | 34.4 | Very low | 187 Ų | 187 | 137.9 Ų | 137.9 | 82% | 0.82 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -111.3 | 9 | -176.4 | -69.6 | -79.1 | 0 | 0 | 0 | 114.6 | A15 | F13-A15 PolarHBondContact O-N 2.69Å; F13-A15 VanDerWaalsContact O-N 3.15Å |
| 14 | G | 28.8 | Very low | 34.2 | Very low | 58 Ų | 58 | 135.4 Ų | 135.4 | 60% | 0.598 | 74% | 0.737 | S | S | * | * | trans | -79.2 | 88.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | S16 | G14-S16 PolarHBondContact O-N 3.27Š| ||
| 15 | A | 32.4 | Very low | 33.8 | Very low | 98 Ų | 98 | 136.2 Ų | 136.2 | 81% | 0.81 | 75% | 0.746 | S | S | * | * | trans | -64.9 | 104.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | F13 R17 | F13-A15 PolarHBondContact O-N 2.69Å; F13-A15 VanDerWaalsContact O-N 3.15Å; A15-R17 PolarHBondContact O-N 3.1Å; A15-R17 VanDerWaalsContact O-N 3.07Å | ||
| 16 | S | 31.8 | Very low | 33.1 | Very low | 116 Ų | 116 | 137.4 Ų | 137.4 | 81% | 0.811 | 76% | 0.758 | S | S | * | * | trans | -72.7 | 96 | 176 | -73.7 | 0 | 0 | 0 | 0 | 112.2 | G14 K18 | G14-S16 PolarHBondContact O-N 3.27Å; S16-K18 PolarHBondContact O-N 3.11Å | ||
| 17 | R | 32.6 | Very low | 32.7 | Very low | 244 Ų | 244 | 141.4 Ų | 141.4 | 92% | 0.921 | 77% | 0.772 | S | S | * | * | trans | -71.4 | 105.2 | 164.5 | -86.3 | -173.1 | 173.2 | -177.8 | -0.4 | 110.4 | A15 | A15-R17 PolarHBondContact O-N 3.1Å; A15-R17 VanDerWaalsContact O-N 3.07Å | ||
| 18 | K | 32.3 | Very low | 32.4 | Very low | 201 Ų | 201 | 144 Ų | 144 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | trans | -80.5 | 126.3 | 159.4 | -68.7 | -175 | 178.6 | -178.8 | 0 | 109.4 | S16 | S16-K18 PolarHBondContact O-N 3.11Š| ||
| 19 | K | 30.2 | Very low | 32 | Very low | 204 Ų | 204 | 146.8 Ų | 146.8 | 89% | 0.887 | 78% | 0.783 | S | S | * | * | trans | -117.2 | 146 | 157 | -88.5 | -164 | 171.6 | -168.3 | 0 | 108.5 | ||||
| 20 | F | 24.6 | Very low | 31.7 | Very low | 201 Ų | 201 | 148.7 Ų | 148.7 | 88% | 0.882 | 79% | 0.79 | S | S | * | * | trans | -99.5 | 135 | -177.2 | -137.6 | -98.5 | 0 | 0 | 0 | 110.1 | ||||
| 21 | V | 30.3 | Very low | 31.6 | Very low | 123 Ų | 123 | 149.2 Ų | 149.2 | 75% | 0.745 | 79% | 0.788 | S | S | * | * | trans | 10.7 | 122.6 | 154.8 | -175.6 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 22 | E | 27 | Very low | 31.2 | Very low | 194 Ų | 194 | 150.5 Ų | 150.5 | 91% | 0.907 | 79% | 0.788 | S | S | * | * | -156.8 | 153.1 | 121.4 | -157 | 157.5 | -149.9 | 0 | 0 | 108.6 | |||||
| 23 | G | 28.1 | Very low | 31.1 | Very low | 69 Ų | 69 | 149.9 Ų | 149.9 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | trans | -146.9 | 146.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 24 | V | 30.5 | Very low | 30.4 | Very low | 143 Ų | 143 | 149.5 Ų | 149.5 | 87% | 0.867 | 78% | 0.779 | S | S | * | * | trans | -150.5 | 139.9 | 170.9 | -176.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 25 | D | 30.1 | Very low | 30.5 | Very low | 157 Ų | 157 | 155.7 Ų | 155.7 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | trans | -73.5 | 156.7 | 178.1 | -54.9 | -76.4 | 0 | 0 | 0 | 114.1 | ||||
| 26 | S | 28.9 | Very low | 30.3 | Very low | 120 Ų | 120 | 154.9 Ų | 154.9 | 84% | 0.839 | 77% | 0.774 | S | S | * | * | trans | -164 | 127.9 | 146.1 | -171.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 27 | D | 28.6 | Very low | 30.2 | Very low | 140 Ų | 140 | 158.3 Ų | 158.3 | 75% | 0.749 | 78% | 0.777 | S | S | * | * | trans | -71.3 | 155 | 167.8 | -67.9 | -64.7 | 0 | 0 | 0 | 112.8 | ||||
| 28 | Y | 29.9 | Very low | 30.1 | Very low | 210 Ų | 210 | 152 Ų | 152 | 82% | 0.824 | 77% | 0.77 | S | S | * | * | 168 | 130.3 | 118 | -101 | -79.1 | 0 | 0 | 0 | 113.7 | |||||
| 29 | H | 31 | Very low | 30.1 | Very low | 148 Ų | 148 | 147.6 Ų | 147.6 | 69% | 0.685 | 77% | 0.765 | S | S | * | * | trans | 1.7 | 155.3 | 147 | -67.1 | -44.6 | 0 | 0 | 0 | 121.9 | ||||
| 30 | D | 33.6 | Very low | 30 | Very low | 123 Ų | 123 | 146.1 Ų | 146.1 | 66% | 0.658 | 76% | 0.763 | S | S | * | * | cis | -169.5 | 162.6 | 1.5 | -111.2 | -10.5 | 0 | 0 | 0 | 115.3 | ||||
| 31 | E | 32.9 | Very low | 30.3 | Very low | 144 Ų | 144 | 145.9 Ų | 145.9 | 67% | 0.673 | 76% | 0.762 | S | S | * | * | trans | 79 | 148.3 | 139.3 | -77.4 | -65.2 | 177.3 | 0 | 0 | 128.2 | ||||
| 32 | N | 29.6 | Very low | 31.1 | Very low | 129 Ų | 129 | 146.3 Ų | 146.3 | 69% | 0.69 | 77% | 0.768 | S | S | * | * | trans | 70.1 | 137.7 | 165.1 | -71.7 | -11.7 | 0 | 0 | 0 | 121.4 | ||||
| 33 | M | 34.9 | Very low | 31.3 | Very low | 138 Ų | 138 | 145.9 Ų | 145.9 | 68% | 0.68 | 77% | 0.765 | S | S | * | * | cis | -172.9 | 139.8 | -27.4 | -111.8 | -141.2 | -157.6 | 0 | 0 | 110.2 | ||||
| 34 | Y | 30.8 | Very low | 31.3 | Very low | 180 Ų | 180 | 153.3 Ų | 153.3 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | trans | 53.1 | 142.8 | 142.6 | -78.3 | -114.9 | 0 | 0 | 0 | 121.4 | ||||
| 35 | Y | 30.6 | Very low | 31.4 | Very low | 188 Ų | 188 | 150 Ų | 150 | 74% | 0.737 | 76% | 0.755 | S | S | * | * | cis | -163.9 | 174.3 | -2 | -145.4 | -130.9 | 0 | 0 | 0 | 113.7 | ||||
| 36 | S | 27.9 | Very low | 31.4 | Very low | 81 Ų | 81 | 150.6 Ų | 150.6 | 57% | 0.566 | 75% | 0.753 | S | S | * | * | trans | -47.1 | -175.6 | 174.5 | 79.3 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 37 | Q | 29.4 | Very low | 31.5 | Very low | 187 Ų | 187 | 152.3 Ų | 152.3 | 87% | 0.874 | 75% | 0.745 | S | S | * | * | cis | -165.2 | -167.3 | -3.6 | -134.6 | 177.3 | 26.1 | 0 | 0 | 110.7 | ||||
| 38 | S | 30.6 | Very low | 31.6 | Very low | 111 Ų | 111 | 151.9 Ų | 151.9 | 78% | 0.776 | 74% | 0.743 | S | S | * | * | trans | -106 | -178.3 | -163.1 | -38.7 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 39 | S | 32.9 | Very low | 31.7 | Very low | 110 Ų | 110 | 149.5 Ų | 149.5 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | trans | 94 | 160.7 | 163.1 | 90.8 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 40 | M | 28 | Very low | 31.7 | Very low | 172 Ų | 172 | 149.8 Ų | 149.8 | 85% | 0.847 | 75% | 0.747 | S | S | * | * | cis | -150.3 | 165 | 9.3 | -114 | -152.1 | -61.9 | 0 | 0 | 111.8 | ||||
| 41 | F | 31.3 | Very low | 31.5 | Very low | 196 Ų | 196 | 148.7 Ų | 148.7 | 86% | 0.86 | 76% | 0.755 | S | S | * | * | trans | -85.5 | 169 | 163.8 | -84.1 | -86.9 | 0 | 0 | 0 | 112.2 | ||||
| 42 | P | 45.6 | Very low | 31.3 | Very low | 133 Ų | 133 | 147.3 Ų | 147.3 | 86% | 0.864 | 76% | 0.761 | S | S | * | * | -140.1 | 176.7 | 120.5 | 35 | -19.9 | 0 | 0 | 0 | 115.5 | |||||
| 43 | H | 32.6 | Very low | 32.4 | Very low | 184 Ų | 184 | 146.7 Ų | 146.7 | 85% | 0.852 | 76% | 0.764 | S | S | * | * | trans | -140.9 | 142.3 | -159.8 | -153.4 | -38.6 | 0 | 0 | 0 | 110.8 | ||||
| 44 | R | 28.6 | Very low | 32.2 | Very low | 226 Ų | 226 | 145.3 Ų | 145.3 | 85% | 0.853 | 77% | 0.768 | S | S | * | * | trans | 144.1 | 165.5 | 160.7 | -90.3 | 177.1 | 175.4 | -112.9 | 3.3 | 112.1 | ||||
| 45 | S | 32.6 | Very low | 32.2 | Very low | 73 Ų | 73 | 142.7 Ų | 142.7 | 51% | 0.51 | 77% | 0.771 | S | S | . | * | cis | 177.7 | 147 | -39.4 | 55.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 46 | E | 28.5 | Very low | 32.4 | Very low | 170 Ų | 170 | 139.5 Ų | 139.5 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | trans | 67 | 162.1 | 164.5 | -66.8 | -174.5 | 133.4 | 0 | 0 | 117.3 | ||||
| 47 | K | 31.3 | Very low | 32.7 | Very low | 156 Ų | 156 | 138.8 Ų | 138.8 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | cis | -174.4 | 146.1 | -22.1 | 167.5 | 172 | 173.6 | 179.9 | 0 | 110.9 | ||||
| 48 | D | 30.4 | Very low | 32.9 | Very low | 131 Ų | 131 | 138.3 Ų | 138.3 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | trans | 65.3 | 150.4 | 160.6 | -63.7 | -17.8 | 0 | 0 | 0 | 125.2 | ||||
| 49 | M | 31.6 | Very low | 33 | Very low | 160 Ų | 160 | 140.3 Ų | 140.3 | 79% | 0.788 | 78% | 0.78 | S | S | * | * | trans | 105.5 | 92.9 | 149.5 | -51.8 | -153.9 | 74.3 | 0 | 0 | 122.8 | ||||
| 50 | L | 31.7 | Very low | 33 | Very low | 154 Ų | 154 | 140 Ų | 140 | 81% | 0.806 | 78% | 0.779 | S | S | * | * | 49.7 | 121.1 | 128.1 | -59.7 | 175 | 0 | 0 | 0 | 123 | |||||
| 51 | A | 29 | Very low | 33.1 | Very low | 100 Ų | 100 | 139.1 Ų | 139.1 | 83% | 0.826 | 77% | 0.772 | S | S | * | * | -176.6 | 142.1 | 109.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 52 | S | 28.9 | Very low | 33.1 | Very low | 115 Ų | 115 | 139 Ų | 139 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | -96.8 | -168.9 | -178.8 | -47.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 53 | P | 54.1 | Low | 32.3 | Very low | 116 Ų | 116 | 136.2 Ų | 136.2 | 75% | 0.753 | 77% | 0.767 | S | S | * | * | cis | -146.8 | 177.8 | 7.8 | 44.1 | -24.1 | 0 | 0 | 0 | 119.2 | ||||
| 54 | S | 28.9 | Very low | 32.1 | Very low | 109 Ų | 109 | 131.9 Ų | 131.9 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | trans | 138.4 | 140.9 | 141.6 | 60.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 55 | T | 31.9 | Very low | 32.3 | Very low | 125 Ų | 125 | 126.4 Ų | 126.4 | 77% | 0.767 | 76% | 0.76 | S | S | * | * | cis | -160 | 142.1 | -17.7 | 17.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 56 | S | 35.4 | Very low | 32.2 | Very low | 121 Ų | 121 | 129.7 Ų | 129.7 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | trans | 41.3 | 132.6 | 153.6 | 59.2 | 0 | 0 | 0 | 0 | 122 | ||||
| 57 | G | 34.3 | Very low | 32.3 | Very low | 66 Ų | 66 | 132.3 Ų | 132.3 | 68% | 0.68 | 78% | 0.775 | S | S | * | * | cis | 152 | 166.2 | -4.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 58 | Q | 33.3 | Very low | 32.2 | Very low | 177 Ų | 177 | 128 Ų | 128 | 83% | 0.827 | 78% | 0.775 | S | S | * | * | trans | 73 | 138 | 164.6 | -55.5 | -73.1 | -28.5 | 0 | 0 | 117.2 | ||||
| 59 | L | 31.2 | Very low | 32.4 | Very low | 152 Ų | 152 | 130 Ų | 130 | 80% | 0.796 | 78% | 0.78 | S | S | * | * | cis | -158 | 158.7 | -6.2 | 179.7 | 58.6 | 0 | 0 | 0 | 111.6 | ||||
| 60 | S | 32.8 | Very low | 32.5 | Very low | 105 Ų | 105 | 129.3 Ų | 129.3 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | trans | -90.2 | 130.4 | -170.8 | -47.2 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 61 | Q | 31.9 | Very low | 32.5 | Very low | 153 Ų | 153 | 127 Ų | 127 | 72% | 0.715 | 77% | 0.772 | S | S | * | * | 28.7 | 133.6 | 109.2 | -173 | 154 | 42.7 | 0 | 0 | 123.5 | |||||
| 62 | F | 30.9 | Very low | 32.6 | Very low | 192 Ų | 192 | 127.4 Ų | 127.4 | 84% | 0.842 | 78% | 0.775 | S | S | * | * | trans | 86.1 | 141.6 | 150.7 | -75.9 | -36.3 | 0 | 0 | 0 | 124.9 | ||||
| 63 | G | 28.7 | Very low | 32.9 | Very low | 75 Ų | 75 | 130.8 Ų | 130.8 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | trans | 110 | 142.5 | 160.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 64 | A | 29.2 | Very low | 31.7 | Very low | 94 Ų | 94 | 128.9 Ų | 128.9 | 78% | 0.777 | 79% | 0.785 | S | S | * | * | cis | 177.1 | 136.3 | -20.9 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 65 | S | 30.8 | Very low | 32.2 | Very low | 110 Ų | 110 | 131.9 Ų | 131.9 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | 55.1 | 125.4 | 145 | -55.3 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 66 | L | 30.5 | Very low | 33.1 | Very low | 143 Ų | 143 | 131.7 Ų | 131.7 | 75% | 0.749 | 79% | 0.792 | S | S | * | * | trans | 83.8 | 147.6 | 130.2 | -103.8 | 66.7 | 0 | 0 | 0 | 124.2 | ||||
| 67 | Y | 31.5 | Very low | 33 | Very low | 225 Ų | 225 | 134.2 Ų | 134.2 | 88% | 0.882 | 79% | 0.793 | S | S | * | * | trans | 64.5 | 147.2 | 175.3 | -68 | -83.7 | 0 | 0 | 0 | 117.2 | ||||
| 68 | G | 29.4 | Very low | 33 | Very low | 66 Ų | 66 | 141.7 Ų | 141.7 | 68% | 0.68 | 80% | 0.8 | S | S | * | * | cis | 173.8 | 147.5 | -9.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 69 | Q | 34.6 | Very low | 32.9 | Very low | 171 Ų | 171 | 136.5 Ų | 136.5 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | trans | 55.9 | 129.6 | 155.8 | -79.6 | -160.1 | -14.8 | 0 | 0 | 125.6 | ||||
| 70 | Q | 33.2 | Very low | 32.9 | Very low | 147 Ų | 147 | 136.6 Ų | 136.6 | 69% | 0.687 | 79% | 0.792 | S | S | * | * | 86.1 | 118.6 | 129.4 | -75.6 | -164.8 | 63.5 | 0 | 0 | 124.7 | |||||
| 71 | S | 31.9 | Very low | 32.8 | Very low | 105 Ų | 105 | 136.7 Ų | 136.7 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | 73 | 118 | 126.6 | -55.6 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 72 | A | 30.4 | Very low | 32.8 | Very low | 108 Ų | 108 | 135.9 Ų | 135.9 | 89% | 0.893 | 79% | 0.793 | S | S | * | * | -177.8 | 153 | 118.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 73 | L | 35.8 | Very low | 32.9 | Very low | 186 Ų | 186 | 133.1 Ų | 133.1 | 97% | 0.974 | 79% | 0.787 | S | S | * | * | trans | -73.5 | 159.7 | -173 | -61 | 156.3 | 0 | 0 | 0 | 115.6 | ||||
| 74 | G | 29.1 | Very low | 33.2 | Very low | 77 Ų | 77 | 135.5 Ų | 135.5 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | trans | 174.5 | 106.7 | 161.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 75 | L | 39.3 | Very low | 34.1 | Very low | 172 Ų | 172 | 137 Ų | 137 | 90% | 0.901 | 79% | 0.789 | S | S | * | * | trans | -113.5 | 147.3 | 158.8 | -80.2 | 172.9 | 0 | 0 | 0 | 107 | ||||
| 76 | P | 51.3 | Low | 34.4 | Very low | 120 Ų | 120 | 139.8 Ų | 139.8 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | -156 | 154.5 | 80.3 | 39.3 | -18.2 | 0 | 0 | 0 | 119.7 | |||||
| 77 | M | 33.6 | Very low | 34.5 | Very low | 174 Ų | 174 | 141 Ų | 141 | 86% | 0.857 | 80% | 0.797 | S | S | * | * | trans | 17 | 130.5 | 138.3 | -80.3 | -71.1 | -167.3 | 0 | 0 | 124.6 | ||||
| 78 | R | 34.4 | Very low | 34.6 | Very low | 224 Ų | 224 | 136.7 Ų | 136.7 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | 93 | 129.5 | 122.9 | -163.6 | -177.7 | -163.8 | -178.8 | 6 | 122.7 | |||||
| 79 | G | 29.6 | Very low | 34.8 | Very low | 67 Ų | 67 | 144.4 Ų | 144.4 | 69% | 0.691 | 80% | 0.797 | S | S | * | * | trans | 154.3 | 122 | 156.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 80 | M | 32.7 | Very low | 34.7 | Very low | 155 Ų | 155 | 141 Ų | 141 | 76% | 0.764 | 79% | 0.792 | S | S | * | * | cis | 110.8 | 110.7 | 34.4 | -90.1 | 168.6 | 55 | 0 | 0 | 112.5 | ||||
| 81 | S | 30.3 | Very low | 34.6 | Very low | 107 Ų | 107 | 141.4 Ų | 141.4 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | trans | 60.1 | 141.6 | 153.2 | -58 | 0 | 0 | 0 | 0 | 120 | ||||
| 82 | N | 32 | Very low | 34.7 | Very low | 135 Ų | 135 | 140.5 Ų | 140.5 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | -172.3 | 157.7 | 55.1 | -125.8 | -6.4 | 0 | 0 | 0 | 115.3 | |||||
| 83 | N | 32.5 | Very low | 34.9 | Very low | 134 Ų | 134 | 145 Ų | 145 | 72% | 0.717 | 80% | 0.795 | S | S | * | * | trans | 65 | 114.9 | 145.1 | -65.4 | -16.3 | 0 | 0 | 0 | 126 | ||||
| 84 | T | 35.4 | Very low | 34.6 | Very low | 126 Ų | 126 | 139.2 Ų | 139.2 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | trans | -57.2 | 165.8 | 142.4 | 41 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 85 | P | 47.3 | Very low | 34.8 | Very low | 126 Ų | 126 | 142.2 Ų | 142.2 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | cis | -149 | 176.5 | 49.1 | 41.8 | -19.6 | 0 | 0 | 0 | 120.5 | ||||
| 86 | Q | 37.8 | Very low | 34.4 | Very low | 168 Ų | 168 | 141.7 Ų | 141.7 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | -76.1 | 160.9 | 176.8 | -64 | -135.7 | -31.2 | 0 | 0 | 114.5 | ||||
| 87 | L | 32.2 | Very low | 33.4 | Very low | 169 Ų | 169 | 142.9 Ų | 142.9 | 89% | 0.885 | 77% | 0.774 | S | S | * | * | trans | -144.4 | 149.9 | 137.2 | -96.1 | -177.7 | 0 | 0 | 0 | 111.7 | ||||
| 88 | N | 34 | Very low | 34 | Very low | 134 Ų | 134 | 139.9 Ų | 139.9 | 72% | 0.717 | 77% | 0.768 | S | S | * | * | trans | -133.8 | 143.5 | -173.1 | -174.9 | 10.2 | 0 | 0 | 0 | 108.6 | ||||
| 89 | R | 33.9 | Very low | 33.9 | Very low | 228 Ų | 228 | 134.3 Ų | 134.3 | 86% | 0.86 | 76% | 0.763 | S | S | * | * | trans | -161.7 | 138.3 | 166.4 | -137.2 | 176.4 | -74.7 | -145.9 | 2.4 | 114 | ||||
| 90 | S | 31.3 | Very low | 34.1 | Very low | 99 Ų | 99 | 140 Ų | 140 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | trans | -113.6 | 163.2 | 176.8 | 49.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 91 | L | 31.5 | Very low | 34.2 | Very low | 156 Ų | 156 | 137.9 Ų | 137.9 | 82% | 0.817 | 77% | 0.767 | S | S | * | * | 156.3 | 143.6 | 115 | -147 | 74.4 | 0 | 0 | 0 | 115.9 | |||||
| 92 | S | 34.3 | Very low | 34.5 | Very low | 86 Ų | 86 | 138.9 Ų | 138.9 | 60% | 0.601 | 77% | 0.769 | S | S | * | * | trans | 66.2 | 125.7 | 141.7 | 52.1 | 0 | 0 | 0 | 0 | 126.4 | ||||
| 93 | Q | 33.8 | Very low | 35.6 | Very low | 203 Ų | 203 | 138 Ų | 138 | 95% | 0.949 | 77% | 0.77 | S | S | * | * | 49.5 | 149.5 | 129.3 | -62.3 | 174.8 | -14.4 | 0 | 0 | 121.8 | |||||
| 94 | G | 30.5 | Very low | 35.5 | Very low | 63 Ų | 63 | 137.6 Ų | 137.6 | 65% | 0.649 | 77% | 0.773 | S | S | * | * | cis | 168.1 | 175.8 | -3.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 95 | T | 32.2 | Very low | 35.5 | Very low | 140 Ų | 140 | 138 Ų | 138 | 86% | 0.859 | 78% | 0.776 | S | S | * | * | trans | 62.5 | 161.1 | 164.3 | 46.7 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 96 | Q | 31 | Very low | 34.8 | Very low | 161 Ų | 161 | 135 Ų | 135 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | cis | -171.4 | 140.4 | -46.4 | -119 | -163.3 | 17.6 | 0 | 0 | 112.1 | ||||
| 97 | L | 31.1 | Very low | 34.7 | Very low | 145 Ų | 145 | 134.1 Ų | 134.1 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | trans | 62 | 172.6 | 152.7 | -64.8 | 176.2 | 0 | 0 | 0 | 120.2 | ||||
| 98 | P | 46.8 | Very low | 35.4 | Very low | 112 Ų | 112 | 131.3 Ų | 131.3 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | cis | -137.9 | 155.8 | 3.3 | 39.8 | -20.1 | 0 | 0 | 0 | 120.7 | ||||
| 99 | S | 31.5 | Very low | 35.4 | Very low | 106 Ų | 106 | 131.7 Ų | 131.7 | 74% | 0.741 | 77% | 0.773 | S | S | * | * | trans | 15.7 | 146 | 146.7 | 65.2 | 0 | 0 | 0 | 0 | 127.9 | ||||
| 100 | H | 34.5 | Very low | 35.3 | Very low | 187 Ų | 187 | 129.3 Ų | 129.3 | 87% | 0.866 | 77% | 0.773 | S | S | * | * | trans | -151.2 | 160.5 | 135.6 | -151.5 | -88.2 | 0 | 0 | 0 | 112.2 | ||||
| 101 | V | 34.7 | Very low | 35.4 | Very low | 110 Ų | 110 | 130.5 Ų | 130.5 | 67% | 0.667 | 78% | 0.781 | S | S | * | * | trans | -145.2 | 162.3 | -166.7 | -158.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 102 | T | 36.8 | Very low | 35.5 | Very low | 129 Ų | 129 | 132 Ų | 132 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | trans | 91.3 | 159.6 | 159.5 | 72.6 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 103 | P | 54.7 | Low | 35.6 | Very low | 115 Ų | 115 | 135 Ų | 135 | 75% | 0.747 | 79% | 0.794 | S | S | * | * | -142.5 | 172.5 | -67.7 | 42 | -25.2 | 0 | 0 | 0 | 116.1 | |||||
| 104 | T | 31 | Very low | 35.8 | Very low | 127 Ų | 127 | 131.2 Ų | 131.2 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | trans | 160.8 | 135.5 | 130.2 | -164.6 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 105 | T | 34.9 | Very low | 36.5 | Very low | 135 Ų | 135 | 133.6 Ų | 133.6 | 83% | 0.828 | 79% | 0.788 | S | S | * | * | trans | 26.3 | 136.5 | 148.4 | -34.4 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 106 | G | 32.5 | Very low | 36.9 | Very low | 63 Ų | 63 | 132.3 Ų | 132.3 | 65% | 0.649 | 78% | 0.783 | S | S | * | * | cis | 166.5 | 171.3 | -6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 107 | V | 36.8 | Very low | 37.1 | Very low | 149 Ų | 149 | 130.3 Ų | 130.3 | 90% | 0.903 | 79% | 0.786 | S | S | * | * | trans | 70.2 | 151.7 | 164.1 | -82.7 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 108 | P | 45.4 | Very low | 38 | Very low | 109 Ų | 109 | 129.5 Ų | 129.5 | 71% | 0.708 | 79% | 0.79 | S | S | * | * | -137.3 | 176.5 | -127.2 | 45.3 | -28.9 | 0 | 0 | 0 | 117.8 | |||||
| 109 | T | 34.5 | Very low | 37.5 | Very low | 143 Ų | 143 | 129.8 Ų | 129.8 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | trans | -139.6 | 156.1 | 149.9 | 63.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 110 | M | 32.1 | Very low | 37.8 | Very low | 178 Ų | 178 | 136.6 Ų | 136.6 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | trans | -100.8 | 140.9 | -170.6 | -69.5 | -79.3 | -169 | 0 | 0 | 112.8 | ||||
| 111 | S | 33.4 | Very low | 37.7 | Very low | 123 Ų | 123 | 131.4 Ų | 131.4 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | -137.1 | 126 | 158.7 | -76.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 112 | L | 32.4 | Very low | 37.8 | Very low | 188 Ų | 188 | 133.3 Ų | 133.3 | 98% | 0.984 | 81% | 0.805 | S | S | * | * | trans | -85.2 | 127.7 | -169.8 | -152.9 | 73.5 | 0 | 0 | 0 | 111.1 | ||||
| 113 | H | 36.1 | Very low | 37.7 | Very low | 150 Ų | 150 | 134.8 Ų | 134.8 | 69% | 0.694 | 81% | 0.808 | S | S | * | * | trans | -107.4 | 147.1 | 177.4 | 128.1 | 111.4 | 0 | 0 | 0 | 111.1 | ||||
| 114 | T | 37.9 | Very low | 37.2 | Very low | 123 Ų | 123 | 135.1 Ų | 135.1 | 76% | 0.755 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 130.5 | 177.9 | 38 | 0 | 0 | 0 | 0 | 112.1 | ||
| 115 | P | 45.7 | Very low | 37.4 | Very low | 112 Ų | 112 | 138.1 Ų | 138.1 | 73% | 0.727 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 146.9 | 179 | 32.9 | -34.4 | 0 | 0 | 0 | 112.7 | ||
| 116 | P | 40.9 | Very low | 37.5 | Very low | 114 Ų | 114 | 138 Ų | 138 | 74% | 0.74 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -87 | 160.7 | 173 | 35.4 | -34.8 | 0 | 0 | 0 | 113.2 | ||
| 117 | S | 35.2 | Very low | 38 | Very low | 118 Ų | 118 | 140.9 Ų | 140.9 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 147.1 | -178 | -41.5 | 0 | 0 | 0 | 0 | 114.8 | ||
| 118 | P | 50.9 | Low | 38 | Very low | 129 Ų | 129 | 144 Ų | 144 | 84% | 0.838 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -101.8 | 144.6 | 160.5 | 35.6 | -28.9 | 0 | 0 | 0 | 112.6 | ||
| 119 | S | 35.7 | Very low | 37.5 | Very low | 117 Ų | 117 | 145.5 Ų | 145.5 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -105.5 | 155.4 | 175.3 | -73 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 120 | R | 37.1 | Very low | 37.4 | Very low | 249 Ų | 249 | 146.3 Ų | 146.3 | 94% | 0.94 | 81% | 0.812 | S | S | * | * | trans | 85.2 | 111 | 172 | -65.6 | -176.6 | 163.5 | 174.4 | -4.2 | 118.3 | ||||
| 121 | G | 32.3 | Very low | 37.4 | Very low | 78 Ų | 78 | 146.3 Ų | 146.3 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | -147.4 | 145.2 | 152.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 122 | I | 36.6 | Very low | 37.3 | Very low | 150 Ų | 150 | 147.8 Ų | 147.8 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | trans | -132.5 | 139.6 | -167.5 | -89 | 175.8 | 0 | 0 | 0 | 110.2 | ||||
| 123 | L | 35.8 | Very low | 37.3 | Very low | 161 Ų | 161 | 147 Ų | 147 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | trans | 71.7 | 160.7 | 177.5 | -60.5 | 177.1 | 0 | 0 | 0 | 117.9 | ||||
| 124 | P | 43.5 | Very low | 37.1 | Very low | 121 Ų | 121 | 144.3 Ų | 144.3 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | cis | -125.7 | 169.4 | -15.5 | 23.6 | -1.5 | 0 | 0 | 0 | 114.9 | ||||
| 125 | M | 35.7 | Very low | 36.9 | Very low | 191 Ų | 191 | 146.9 Ų | 146.9 | 94% | 0.941 | 80% | 0.803 | S | S | * | * | trans | -92.9 | 128.9 | 168.4 | -87.5 | -81.1 | -179.7 | 0 | 0 | 111.8 | ||||
| 126 | N | 37.5 | Very low | 36.2 | Very low | 133 Ų | 133 | 148.3 Ų | 148.3 | 71% | 0.711 | 81% | 0.809 | S | S | * | * | trans | 165.2 | 147.4 | 133.4 | -152.9 | 9.2 | 0 | 0 | 0 | 108.5 | R128 | N126-R128 PolarHBondContact OD1-N 3.32Š| ||
| 127 | P | 42.1 | Very low | 35.8 | Very low | 123 Ų | 123 | 145.7 Ų | 145.7 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | -142 | 158.3 | 91 | 36.7 | -21.8 | 0 | 0 | 0 | 115.2 | |||||
| 128 | R | 37.8 | Very low | 35.8 | Very low | 215 Ų | 215 | 150 Ų | 150 | 81% | 0.811 | 81% | 0.81 | S | S | * | * | trans | -118.2 | 167.4 | 165.8 | -101.4 | -168.5 | -179.5 | 179.9 | 1.5 | 110.2 | N126 | N126-R128 PolarHBondContact OD1-N 3.32Š| ||
| 129 | N | 34.3 | Very low | 34.9 | Very low | 139 Ų | 139 | 147.1 Ų | 147.1 | 74% | 0.743 | 80% | 0.804 | S | S | * | * | trans | 86.3 | 138.4 | 169.6 | -64.1 | 1 | 0 | 0 | 0 | 115.2 | ||||
| 130 | M | 33.4 | Very low | 34.9 | Very low | 160 Ų | 160 | 150.1 Ų | 150.1 | 79% | 0.788 | 81% | 0.809 | S | S | * | * | cis | -145.6 | 164.9 | -0.7 | -103.3 | 143.7 | 75.7 | 0 | 0 | 107.5 | ||||
| 131 | M | 30.5 | Very low | 34.6 | Very low | 179 Ų | 179 | 141.8 Ų | 141.8 | 88% | 0.882 | 80% | 0.801 | S | S | * | * | -172 | 158.8 | 60.1 | -163.3 | 161.9 | -171 | 0 | 0 | 110.8 | |||||
| 132 | N | 32.8 | Very low | 34.8 | Very low | 153 Ų | 153 | 145.9 Ų | 145.9 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -143.1 | 149.7 | 178 | -169 | 9.2 | 0 | 0 | 0 | 111.6 | ||||
| 133 | H | 32.3 | Very low | 35.6 | Very low | 172 Ų | 172 | 144.5 Ų | 144.5 | 80% | 0.796 | 80% | 0.803 | S | S | * | * | trans | -155.3 | 131.9 | 174.6 | -161 | 74 | 0 | 0 | 0 | 105.4 | ||||
| 134 | S | 31.2 | Very low | 35.4 | Very low | 94 Ų | 94 | 141.4 Ų | 141.4 | 66% | 0.657 | 80% | 0.795 | S | S | * | * | cis | -150.8 | -174.6 | 31.2 | 51.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 135 | Q | 33.8 | Very low | 34.9 | Very low | 176 Ų | 176 | 147 Ų | 147 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | trans | -58.9 | 163.7 | -176 | -58.7 | 149.4 | -15.5 | 0 | 0 | 113.9 | ||||
| 136 | V | 31.8 | Very low | 34.7 | Very low | 143 Ų | 143 | 143 Ų | 143 | 87% | 0.867 | 79% | 0.787 | S | S | * | * | cis | -154 | 163.4 | 37.9 | 176.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 137 | G | 31.2 | Very low | 34.5 | Very low | 58 Ų | 58 | 144.6 Ų | 144.6 | 60% | 0.598 | 80% | 0.795 | S | S | * | * | cis | 147.9 | 152.3 | -4.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 138 | Q | 36.5 | Very low | 34 | Very low | 209 Ų | 209 | 143.4 Ų | 143.4 | 98% | 0.977 | 79% | 0.79 | S | S | * | * | trans | 65.9 | 151.6 | -168.4 | -45.4 | -163.9 | 13.1 | 0 | 0 | 114.3 | ||||
| 139 | G | 31.4 | Very low | 33.8 | Very low | 69 Ų | 69 | 141.3 Ų | 141.3 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | cis | 146.8 | 146 | -1.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 140 | I | 35.1 | Very low | 33.5 | Very low | 179 Ų | 179 | 140.1 Ų | 140.1 | 92% | 0.918 | 80% | 0.795 | S | S | * | * | cis | -154.3 | 143.7 | -5.5 | -67.1 | 174.7 | 0 | 0 | 0 | 108.2 | ||||
| 141 | G | 30.6 | Very low | 33.5 | Very low | 75 Ų | 75 | 138 Ų | 138 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | trans | 112.7 | 128.1 | 143.5 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 142 | I | 37.2 | Very low | 33.8 | Very low | 164 Ų | 164 | 135.5 Ų | 135.5 | 84% | 0.841 | 80% | 0.795 | S | S | * | * | trans | -107.7 | -178.1 | 169.1 | 0.5 | 175.7 | 0 | 0 | 0 | 108.2 | ||||
| 143 | P | 53.8 | Low | 33.7 | Very low | 121 Ų | 121 | 132 Ų | 132 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | cis | -143.9 | 173.1 | 21.9 | 41.4 | -19.5 | 0 | 0 | 0 | 120 | ||||
| 144 | S | 31 | Very low | 33.9 | Very low | 96 Ų | 96 | 132.7 Ų | 132.7 | 67% | 0.671 | 80% | 0.804 | S | S | * | * | trans | -42.7 | 151.7 | 167.8 | -36.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 145 | R | 33.3 | Very low | 33.8 | Very low | 237 Ų | 237 | 132 Ų | 132 | 89% | 0.894 | 81% | 0.811 | S | S | * | * | trans | -150.1 | 129.5 | 136 | -61.2 | -167.2 | 178.7 | -163.4 | -2.8 | 106.9 | ||||
| 146 | T | 31.8 | Very low | 33.9 | Very low | 109 Ų | 109 | 129.3 Ų | 129.3 | 67% | 0.669 | 81% | 0.812 | S | S | * | * | cis | 61.5 | 97 | 48.8 | 71.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 147 | N | 31.9 | Very low | 34.8 | Very low | 165 Ų | 165 | 127.7 Ų | 127.7 | 88% | 0.882 | 81% | 0.805 | S | S | * | * | -175.8 | 160.7 | 111.8 | -95.6 | -2.1 | 0 | 0 | 0 | 113.9 | |||||
| 148 | S | 33 | Very low | 35 | Very low | 99 Ų | 99 | 132.1 Ų | 132.1 | 69% | 0.692 | 82% | 0.815 | S | S | * | * | trans | -114.1 | 170.6 | -175.8 | 50.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 149 | M | 32.3 | Very low | 34.7 | Very low | 170 Ų | 170 | 133.3 Ų | 133.3 | 84% | 0.837 | 81% | 0.81 | S | S | * | * | trans | 112.6 | 141.4 | 149.6 | -64.5 | -164.1 | 161.1 | 0 | 0 | 119.5 | ||||
| 150 | S | 28.9 | Very low | 34.7 | Very low | 115 Ų | 115 | 134.9 Ų | 134.9 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | 66.1 | 147 | 153.7 | 41.3 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 151 | S | 34.3 | Very low | 34.6 | Very low | 114 Ų | 114 | 131.4 Ų | 131.4 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | cis | -158.2 | 161.6 | -1 | 41.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 152 | S | 35.8 | Very low | 35.5 | Very low | 127 Ų | 127 | 134 Ų | 134 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | trans | -31.2 | 147.2 | 167.4 | -39.3 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 153 | G | 30.1 | Very low | 35.5 | Very low | 79 Ų | 79 | 131.1 Ų | 131.1 | 81% | 0.814 | 80% | 0.799 | S | S | * | * | trans | -163 | 110.9 | 163.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 154 | L | 36.8 | Very low | 34.8 | Very low | 188 Ų | 188 | 133.1 Ų | 133.1 | 98% | 0.984 | 80% | 0.802 | S | S | * | * | trans | -80.3 | 148.8 | 176.4 | -78.5 | 137.6 | 0 | 0 | 0 | 111.6 | ||||
| 155 | G | 30.2 | Very low | 35 | Very low | 78 Ų | 78 | 135.6 Ų | 135.6 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | 172.9 | 90.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 156 | S | 35.3 | Very low | 34.8 | Very low | 120 Ų | 120 | 129.6 Ų | 129.6 | 84% | 0.839 | 80% | 0.799 | S | S | * | * | trans | -118.6 | 160.5 | 157.2 | -75.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 157 | P | 51.3 | Low | 35.1 | Very low | 110 Ų | 110 | 132.6 Ų | 132.6 | 71% | 0.714 | 81% | 0.807 | S | S | * | * | cis | -146.2 | 178.1 | 26.7 | 42 | -22 | 0 | 0 | 0 | 118.4 | ||||
| 158 | N | 33.6 | Very low | 36.2 | Very low | 151 Ų | 151 | 129.4 Ų | 129.4 | 81% | 0.807 | 80% | 0.796 | S | S | * | * | trans | 52.4 | 120.4 | 148.7 | -77.6 | -16.3 | 0 | 0 | 0 | 121.8 | ||||
| 159 | R | 32.1 | Very low | 36.1 | Very low | 233 Ų | 233 | 133.2 Ų | 133.2 | 88% | 0.879 | 80% | 0.8 | S | S | * | * | -175.2 | 144.3 | 109.3 | -107.2 | 175.2 | -176.4 | -108.5 | 2.3 | 116 | |||||
| 160 | S | 30.8 | Very low | 36.1 | Very low | 102 Ų | 102 | 133.2 Ų | 133.2 | 71% | 0.713 | 80% | 0.798 | S | S | * | * | trans | 71.8 | 120.2 | 144.6 | -55.2 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 161 | S | 33.3 | Very low | 36.3 | Very low | 107 Ų | 107 | 135.7 Ų | 135.7 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | trans | -72.6 | 176.6 | 158.4 | -31.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 162 | P | 48.3 | Very low | 36.7 | Very low | 129 Ų | 129 | 136.5 Ų | 136.5 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | -121 | 152.2 | 128.9 | 35.6 | -30.6 | 0 | 0 | 0 | 113.2 | |||||
| 163 | S | 38.6 | Very low | 36.3 | Very low | 103 Ų | 103 | 135.1 Ų | 135.1 | 72% | 0.72 | 79% | 0.79 | S | S | * | * | trans | -119.8 | -161.3 | 172.9 | -55.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 164 | I | 39.2 | Very low | 36.4 | Very low | 164 Ų | 164 | 143.4 Ų | 143.4 | 84% | 0.841 | 80% | 0.797 | S | S | * | * | trans | 93.5 | 120.7 | 168.6 | -57.2 | 171.3 | 0 | 0 | 0 | 110.8 | ||||
| 165 | I | 34.7 | Very low | 36.1 | Very low | 148 Ų | 148 | 142.3 Ų | 142.3 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | cis | -144.6 | 138.2 | 27.9 | -56.9 | 179.4 | 0 | 0 | 0 | 108.3 | ||||
| 166 | C | 28.9 | Very low | 36.1 | Very low | 111 Ų | 111 | 144 Ų | 144 | 75% | 0.75 | 78% | 0.783 | S | S | * | * | 74.5 | 146.6 | 60.1 | -91.6 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 167 | M | 37.8 | Very low | 35.7 | Very low | 171 Ų | 171 | 147.7 Ų | 147.7 | 84% | 0.842 | 78% | 0.784 | S | S | * | * | cis | -138.7 | -99.1 | -12.6 | -149.9 | -168 | 179.2 | 0 | 0 | 116.2 | ||||
| 168 | P | 54.4 | Low | 34.8 | Very low | 99 Ų | 99 | 148.7 Ų | 148.7 | 64% | 0.643 | 79% | 0.789 | S | S | * | * | trans | -146.1 | -178.9 | -136.3 | 41 | -17.6 | 0 | 0 | 0 | 122.6 | ||||
| 169 | K | 31.4 | Very low | 34.5 | Very low | 178 Ų | 178 | 147.8 Ų | 147.8 | 77% | 0.774 | 79% | 0.788 | S | S | * | * | trans | 89.1 | 142.6 | 159.7 | -70.6 | -176.2 | 174.3 | 178.6 | 0 | 117.2 | ||||
| 170 | Q | 31.6 | Very low | 34.4 | Very low | 170 Ų | 170 | 143.4 Ų | 143.4 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | cis | -149.8 | 150.9 | 9.9 | -139.2 | 161.3 | 1.1 | 0 | 0 | 113.6 | ||||
| 171 | Q | 34 | Very low | 34.1 | Very low | 168 Ų | 168 | 144 Ų | 144 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | trans | -94.3 | 167.6 | 169.9 | -109.4 | -178.1 | -5.3 | 0 | 0 | 111.1 | ||||
| 172 | P | 42.8 | Very low | 33.9 | Very low | 131 Ų | 131 | 146.7 Ų | 146.7 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | -133.5 | 163 | 103.5 | 29.6 | -14.8 | 0 | 0 | 0 | 115.5 | |||||
| 173 | S | 27.8 | Very low | 33 | Very low | 98 Ų | 98 | 146.3 Ų | 146.3 | 69% | 0.685 | 79% | 0.79 | S | S | * | * | trans | -85.1 | 151.1 | -165.3 | 54.1 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 174 | R | 31.3 | Very low | 32.5 | Very low | 253 Ų | 253 | 144.5 Ų | 144.5 | 96% | 0.955 | 79% | 0.788 | S | S | * | * | trans | -140.5 | 157.3 | 142.5 | -92.1 | -164.4 | 167.7 | -169.5 | -4.8 | 112.2 | ||||
| 175 | Q | 31.1 | Very low | 32.1 | Very low | 165 Ų | 165 | 145.7 Ų | 145.7 | 77% | 0.771 | 79% | 0.787 | S | S | * | * | trans | -73.6 | 156.8 | -161.5 | -64.9 | -71.7 | -6.1 | 0 | 0 | 115 | ||||
| 176 | P | 30.6 | Very low | 31.7 | Very low | 114 Ų | 114 | 142.1 Ų | 142.1 | 74% | 0.74 | 79% | 0.787 | S | S | * | * | trans | -79.8 | 131.4 | 171.3 | 32.9 | -32.3 | 0 | 0 | 0 | 111.7 | ||||
| 177 | F | 27.2 | Very low | 31.9 | Very low | 196 Ų | 196 | 145.3 Ų | 145.3 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | trans | -97.4 | 113.7 | 167.2 | -86.7 | -82.7 | 0 | 0 | 0 | 110.4 | ||||
| 178 | T | 30.8 | Very low | 31.3 | Very low | 131 Ų | 131 | 144.7 Ų | 144.7 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -80.4 | 128.8 | 159.5 | 49 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 179 | V | 29 | Very low | 30.3 | Very low | 132 Ų | 132 | 150.9 Ų | 150.9 | 80% | 0.8 | 80% | 0.803 | S | S | * | * | trans | -124 | 110.1 | 165.8 | -177.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 180 | N | 28 | Very low | 30.2 | Very low | 141 Ų | 141 | 149.4 Ų | 149.4 | 75% | 0.754 | 80% | 0.804 | S | S | * | * | trans | -77 | 148.3 | 166.7 | -75.8 | -13.8 | 0 | 0 | 0 | 110 | ||||
| 181 | S | 26.4 | Very low | 30.2 | Very low | 115 Ų | 115 | 150.1 Ų | 150.1 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | 16.9 | 112.4 | 150.2 | -53 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 182 | M | 27.6 | Very low | 29.8 | Very low | 163 Ų | 163 | 145.6 Ų | 145.6 | 80% | 0.803 | 80% | 0.799 | S | S | * | * | trans | -115 | 103.8 | 150 | -84.7 | -175.5 | 71.5 | 0 | 0 | 110.7 | F185 | M182-F185 HydrophobicContact CE-CE2 4.09Š| ||
| 183 | S | 30.1 | Very low | 29.3 | Very low | 121 Ų | 121 | 149.6 Ų | 149.6 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | trans | -82 | 139.2 | 156.9 | -61.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 184 | G | 27.1 | Very low | 29.2 | Very low | 66 Ų | 66 | 148.3 Ų | 148.3 | 68% | 0.68 | 81% | 0.805 | S | S | * | * | trans | 100.6 | 102.9 | 161.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 185 | F | 31.2 | Very low | 29 | Very low | 188 Ų | 188 | 145.6 Ų | 145.6 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | trans | -130.5 | 117.1 | 139.9 | -95.3 | -83 | 0 | 0 | 0 | 107.9 | M182 | M182-F185 HydrophobicContact CE-CE2 4.09Š| ||
| 186 | G | 27.3 | Very low | 29 | Very low | 73 Ų | 73 | 145.1 Ų | 145.1 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | trans | -94.4 | 129.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | N188 | G186-N188 PolarHBondContact O-N 3.06Š| ||
| 187 | M | 32.4 | Very low | 28.8 | Very low | 179 Ų | 179 | 147.6 Ų | 147.6 | 88% | 0.882 | 82% | 0.816 | S | S | * | * | trans | -80 | 102.6 | 165.5 | -95.9 | 65.3 | 178.5 | 0 | 0 | 108.9 | R189 | M187-R189 PolarHBondContact O-N 3.43Š| ||
| 188 | N | 26.4 | Very low | 29 | Very low | 157 Ų | 157 | 142.4 Ų | 142.4 | 84% | 0.84 | 80% | 0.804 | S | S | * | * | trans | -70.2 | 118.8 | 164.7 | -168.4 | -0 | 0 | 0 | 0 | 108.3 | G186 | G186-N188 PolarHBondContact O-N 3.06Š| ||
| 189 | R | 32.4 | Very low | 29 | Very low | 230 Ų | 230 | 144.5 Ų | 144.5 | 87% | 0.868 | 81% | 0.809 | S | S | * | * | trans | -118.2 | 111.6 | -178 | -170.5 | -176.4 | -154.1 | 178.1 | 8.3 | 109.1 | M187 | M187-R189 PolarHBondContact O-N 3.43Š| ||
| 190 | N | 28.4 | Very low | 29 | Very low | 146 Ų | 146 | 143 Ų | 143 | 78% | 0.781 | 81% | 0.805 | S | S | * | * | trans | -121.4 | 151.1 | 165 | -106.7 | -9.4 | 0 | 0 | 0 | 111.3 | ||||
| 191 | Q | 31.5 | Very low | 29.1 | Very low | 185 Ų | 185 | 141.8 Ų | 141.8 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | trans | -70.5 | 163 | -173.8 | -64.3 | 160.3 | -34.7 | 0 | 0 | 110.9 | ||||
| 192 | A | 27 | Very low | 29.2 | Very low | 74 Ų | 74 | 143.3 Ų | 143.3 | 61% | 0.612 | 81% | 0.806 | S | S | * | * | -173.3 | 171.2 | 59.9 | 0 | 0 | 0 | 0 | 0 | 114 | |||||
| 193 | F | 31.3 | Very low | 29.4 | Very low | 214 Ų | 214 | 143.4 Ų | 143.4 | 94% | 0.939 | 81% | 0.808 | S | S | * | * | trans | 67.3 | 120.5 | 173.7 | -49.4 | -76.5 | 0 | 0 | 0 | 116.6 | ||||
| 194 | G | 25.7 | Very low | 29.4 | Very low | 71 Ų | 71 | 147 Ų | 147 | 73% | 0.732 | 81% | 0.809 | S | S | * | * | cis | 140.3 | 108.9 | -11.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 195 | M | 27.8 | Very low | 29.5 | Very low | 197 Ų | 197 | 151.3 Ų | 151.3 | 97% | 0.97 | 82% | 0.817 | S | S | * | * | trans | -158.3 | 124.2 | 158 | -105.6 | 149.2 | -173 | 0 | 0 | 109.3 | ||||
| 196 | N | 30.5 | Very low | 29.5 | Very low | 154 Ų | 154 | 145 Ų | 145 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | trans | -88.9 | 147.7 | -176.2 | -80 | -44.6 | 0 | 0 | 0 | 111.5 | ||||
| 197 | N | 27.5 | Very low | 29.7 | Very low | 166 Ų | 166 | 147.9 Ų | 147.9 | 89% | 0.888 | 81% | 0.807 | S | S | * | * | trans | -152.5 | 83.4 | 143.2 | -133.3 | -3.2 | 0 | 0 | 0 | 110 | ||||
| 198 | S | 30.1 | Very low | 29.7 | Very low | 88 Ų | 88 | 147.3 Ų | 147.3 | 62% | 0.615 | 81% | 0.808 | S | S | * | * | trans | -114.2 | 111.3 | 173.9 | 57.1 | 0 | 0 | 0 | 0 | 109.1 | S200 | S198-S200 PolarHBondContact O-N 3Š| ||
| 199 | L | 31.2 | Very low | 30 | Very low | 174 Ų | 174 | 142.8 Ų | 142.8 | 91% | 0.911 | 80% | 0.798 | S | S | * | * | trans | -74.3 | 111.5 | 170.7 | -73.1 | 169.6 | 0 | 0 | 0 | 109 | ||||
| 200 | S | 30.1 | Very low | 30 | Very low | 101 Ų | 101 | 137.9 Ų | 137.9 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | trans | -80.2 | 117.3 | 179 | -61.7 | 0 | 0 | 0 | 0 | 111.2 | S198 N202 | S198-S200 PolarHBondContact O-N 3Å; S200-N202 PolarHBondContact O-N 3.15Å | ||
| 201 | S | 28.5 | Very low | 30.4 | Very low | 116 Ų | 116 | 139.2 Ų | 139.2 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | trans | -83.8 | 89.7 | 165.1 | 57.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 202 | N | 29.2 | Very low | 30.5 | Very low | 147 Ų | 147 | 137.2 Ų | 137.2 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | trans | -146.1 | 119.6 | 167.8 | -93 | -34.6 | 0 | 0 | 0 | 108.8 | S200 | S200-N202 PolarHBondContact O-N 3.15Š| ||
| 203 | I | 32.7 | Very low | 31 | Very low | 164 Ų | 164 | 140.5 Ų | 140.5 | 84% | 0.841 | 81% | 0.808 | S | S | * | * | trans | 176.9 | 106.4 | 145.5 | -89.7 | 148.5 | 0 | 0 | 0 | 107.1 | ||||
| 204 | F | 28.6 | Very low | 31.4 | Very low | 198 Ų | 198 | 136.8 Ų | 136.8 | 87% | 0.868 | 80% | 0.803 | S | S | * | * | -164 | 90 | 118.6 | -136 | -86.9 | 0 | 0 | 0 | 110.8 | |||||
| 205 | N | 29.6 | Very low | 32.1 | Very low | 156 Ų | 156 | 137 Ų | 137 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | trans | -138.2 | 116.7 | 150.5 | -175.3 | 61.2 | 0 | 0 | 0 | 105.9 | ||||
| 206 | G | 30.3 | Very low | 32.8 | Very low | 54 Ų | 54 | 135.7 Ų | 135.7 | 56% | 0.557 | 80% | 0.801 | S | S | * | * | trans | -91.7 | 140.7 | -170.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 207 | T | 32.5 | Very low | 33.5 | Very low | 134 Ų | 134 | 134 Ų | 134 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | trans | -172.3 | 152.3 | 148.8 | 28 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 208 | D | 31.7 | Very low | 34.7 | Very low | 168 Ų | 168 | 133.7 Ų | 133.7 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | trans | 72.8 | 148.1 | 167.9 | -146.1 | -19.4 | 0 | 0 | 0 | 115.8 | ||||
| 209 | G | 32.9 | Very low | 35.9 | Very low | 62 Ų | 62 | 133.9 Ų | 133.9 | 64% | 0.639 | 79% | 0.791 | S | S | * | * | trans | -139.7 | 147.6 | -168.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 210 | S | 32.6 | Very low | 36.6 | Very low | 127 Ų | 127 | 132.2 Ų | 132.2 | 89% | 0.888 | 78% | 0.783 | S | S | * | * | trans | -161.9 | 156.1 | 157.4 | 35.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 211 | E | 37.1 | Very low | 37.4 | Very low | 174 Ų | 174 | 135.4 Ų | 135.4 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | trans | -91.7 | 167.6 | -156.1 | -56.6 | 176.9 | 145.9 | 0 | 0 | 114.3 | ||||
| 212 | N | 34.5 | Very low | 38.3 | Very low | 142 Ų | 142 | 135.8 Ų | 135.8 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | trans | 78.6 | 87 | 155.8 | -53.5 | -47.1 | 0 | 0 | 0 | 119.3 | ||||
| 213 | V | 36.7 | Very low | 39 | Very low | 143 Ų | 143 | 133.5 Ų | 133.5 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | trans | -133.5 | 138.2 | 132.5 | -179.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 214 | T | 40.8 | Very low | 39.3 | Very low | 136 Ų | 136 | 134.2 Ų | 134.2 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | trans | -44.4 | 133.7 | -177.6 | 50.2 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 215 | G | 40.2 | Very low | 39.7 | Very low | 75 Ų | 75 | 129.2 Ų | 129.2 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | trans | -87.1 | 170.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 216 | L | 41.1 | Very low | 39.8 | Very low | 171 Ų | 171 | 129.6 Ų | 129.6 | 90% | 0.895 | 79% | 0.788 | S | S | * | * | trans | -123.5 | 138 | 159.1 | -69.1 | 172.9 | 0 | 0 | 0 | 107.1 | ||||
| 217 | D | 46.7 | Very low | 40 | Very low | 117 Ų | 117 | 138.6 Ų | 138.6 | 63% | 0.626 | 81% | 0.805 | S | S | * | * | trans | -75.2 | 132.4 | -175.3 | -163.9 | -30.9 | 0 | 0 | 0 | 110.9 | S219 | D217-S219 WeakPolarHBondContact OD1-CB 3.49Å; D217-S219 PolarHBondContact OD1-N 3.2Å; D217-S219 PolarHBondContact OD1-OG 3.31Å; D217-S219 PolarHBondContact OD2-OG 2.95Å | ||
| 218 | L | 52.2 | Low | 40 | Very low | 161 Ų | 161 | 139.4 Ų | 139.4 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -90.9 | 1.5 | -178.4 | -77.6 | 163.7 | 0 | 0 | 0 | 113.2 | ||
| 219 | S | 55.1 | Low | 40 | Very low | 92 Ų | 92 | 143.4 Ų | 143.4 | 64% | 0.643 | 81% | 0.807 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -10 | 179.3 | 59.9 | 0 | 0 | 0 | 0 | 115.1 | D217 F221 | D217-S219 WeakPolarHBondContact OD1-CB 3.49Å; D217-S219 PolarHBondContact OD1-N 3.2Å; D217-S219 PolarHBondContact OD1-OG 3.31Å; D217-S219 PolarHBondContact OD2-OG 2.95Å; S219-F221 PolarHBondContact O-N 3.44Å |
| 220 | D | 46.1 | Very low | 40.1 | Very low | 138 Ų | 138 | 152 Ų | 152 | 74% | 0.738 | 82% | 0.82 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -1.9 | -178.8 | -94.2 | -21.1 | 0 | 0 | 0 | 115.3 | ||
| 221 | F | 46.7 | Very low | 40 | Very low | 169 Ų | 169 | 155.5 Ų | 155.5 | 74% | 0.741 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -114.3 | 118.1 | -179 | -78.3 | -86.3 | 0 | 0 | 0 | 113.1 | S219 A223 | S219-F221 PolarHBondContact O-N 3.44Å; F221-A223 PolarHBondContact O-N 2.85Å |
| 222 | P | 46.8 | Very low | 39.7 | Very low | 123 Ų | 123 | 151 Ų | 151 | 80% | 0.799 | 82% | 0.822 | S | S | * | * | trans | -73.8 | 100.1 | 177.1 | 29.1 | -33.2 | 0 | 0 | 0 | 111.1 | L224 | P222-L224 PolarHBondContact O-N 2.81Š| ||
| 223 | A | 44.6 | Very low | 39.6 | Very low | 99 Ų | 99 | 150.5 Ų | 150.5 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | trans | -75.7 | 111.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | F221 A225 | F221-A223 PolarHBondContact O-N 2.85Å; A223-A225 PolarHBondContact O-N 3.11Å | ||
| 224 | L | 39.2 | Very low | 39.2 | Very low | 179 Ų | 179 | 147.3 Ų | 147.3 | 94% | 0.937 | 83% | 0.826 | S | S | * | * | trans | -89.6 | 87 | 167.5 | -75.3 | 174.1 | 0 | 0 | 0 | 111 | P222 | P222-L224 PolarHBondContact O-N 2.81Š| ||
| 225 | A | 37.1 | Very low | 38.8 | Very low | 93 Ų | 93 | 148.9 Ų | 148.9 | 77% | 0.769 | 83% | 0.829 | S | S | * | * | trans | -166.4 | 123.1 | 154 | 0 | 0 | 0 | 0 | 0 | 111.3 | A223 | A223-A225 PolarHBondContact O-N 3.11Š| ||
| 226 | D | 30.8 | Very low | 38.8 | Very low | 165 Ų | 165 | 151 Ų | 151 | 88% | 0.882 | 83% | 0.829 | S | S | * | * | trans | -142.7 | 97.1 | 152.6 | -128.4 | -26.3 | 0 | 0 | 0 | 110.4 | ||||
| 227 | R | 34.7 | Very low | 38.5 | Very low | 243 Ų | 243 | 149.4 Ų | 149.4 | 92% | 0.917 | 83% | 0.827 | S | S | * | * | trans | -142 | 75.7 | 170.5 | -156.1 | 176.9 | -168.4 | -172.2 | 3.1 | 111.2 | ||||
| 228 | N | 33.4 | Very low | 38.2 | Very low | 151 Ų | 151 | 149.8 Ų | 149.8 | 81% | 0.807 | 84% | 0.836 | S | S | * | * | trans | 35.3 | 114.1 | 150.6 | -78.7 | -31.5 | 0 | 0 | 0 | 119 | ||||
| 229 | R | 31.7 | Very low | 37.2 | Very low | 251 Ų | 251 | 149.6 Ų | 149.6 | 95% | 0.947 | 84% | 0.835 | S | S | * | * | trans | -125.7 | 114 | 151.4 | -164 | 179.1 | -172.5 | -174.3 | 2.4 | 109.1 | ||||
| 230 | R | 33.9 | Very low | 36 | Very low | 244 Ų | 244 | 152.8 Ų | 152.8 | 92% | 0.921 | 84% | 0.843 | S | S | * | * | trans | -145.4 | 129.7 | 169.6 | -101.5 | -170.3 | 178.8 | -165.3 | 0.8 | 109.5 | ||||
| 231 | E | 31.8 | Very low | 35.4 | Very low | 199 Ų | 199 | 153 Ų | 153 | 93% | 0.93 | 84% | 0.844 | S | S | * | * | trans | -100.2 | 147.3 | 160.1 | -70 | -179 | 153.4 | 0 | 0 | 108.7 | ||||
| 232 | G | 30.1 | Very low | 35.5 | Very low | 80 Ų | 80 | 149.9 Ų | 149.9 | 83% | 0.825 | 84% | 0.841 | S | S | * | * | trans | 161 | 116.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 233 | S | 31.1 | Very low | 34.8 | Very low | 132 Ų | 132 | 151.9 Ų | 151.9 | 92% | 0.923 | 84% | 0.844 | S | S | * | * | trans | -67.7 | 140.6 | -174.3 | 52 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 234 | G | 30 | Very low | 34.2 | Very low | 75 Ų | 75 | 152 Ų | 152 | 77% | 0.773 | 85% | 0.845 | S | S | * | * | trans | 168 | 138.9 | 164.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 235 | N | 31.8 | Very low | 33.8 | Very low | 170 Ų | 170 | 147 Ų | 147 | 91% | 0.909 | 84% | 0.837 | S | S | * | * | trans | -65.1 | 154.9 | -178.4 | -80.6 | -14.8 | 0 | 0 | 0 | 114.5 | ||||
| 236 | P | 40.2 | Very low | 33.7 | Very low | 118 Ų | 118 | 154.3 Ų | 154.3 | 77% | 0.766 | 84% | 0.844 | S | S | * | * | trans | -102.8 | 134.8 | 170.1 | 36.5 | -29.4 | 0 | 0 | 0 | 114.2 | ||||
| 237 | T | 33.7 | Very low | 33.6 | Very low | 138 Ų | 138 | 150.6 Ų | 150.6 | 85% | 0.847 | 84% | 0.837 | S | S | * | * | trans | -144.6 | 132.6 | 151.9 | 41.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 238 | P | 42.2 | Very low | 34.3 | Very low | 126 Ų | 126 | 144.5 Ų | 144.5 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | trans | -97.1 | 139.9 | -176.2 | 35.2 | -32.2 | 0 | 0 | 0 | 113.3 | ||||
| 239 | L | 30.2 | Very low | 34.1 | Very low | 157 Ų | 157 | 147.6 Ų | 147.6 | 82% | 0.822 | 83% | 0.83 | S | S | * | * | trans | -138.2 | 113.2 | 167.4 | -82.1 | 172.7 | 0 | 0 | 0 | 112 | ||||
| 240 | I | 30.5 | Very low | 34.2 | Very low | 158 Ų | 158 | 142 Ų | 142 | 81% | 0.81 | 82% | 0.824 | S | S | * | * | trans | 43 | 125.9 | 131.2 | -56.1 | 174.8 | 0 | 0 | 0 | 120 | ||||
| 241 | N | 33 | Very low | 34.2 | Very low | 144 Ų | 144 | 133.5 Ų | 133.5 | 77% | 0.77 | 81% | 0.813 | S | S | * | * | trans | -45.1 | 172.8 | 164.7 | -140.3 | 28.8 | 0 | 0 | 0 | 114.5 | ||||
| 242 | P | 48.6 | Very low | 34.5 | Very low | 103 Ų | 103 | 131.8 Ų | 131.8 | 67% | 0.669 | 81% | 0.807 | S | S | * | * | cis | -155.1 | -177.2 | 25.5 | 43.5 | -20.1 | 0 | 0 | 0 | 121 | ||||
| 243 | L | 31.6 | Very low | 34.7 | Very low | 164 Ų | 164 | 134.3 Ų | 134.3 | 86% | 0.859 | 81% | 0.806 | S | S | * | * | trans | 96.9 | 110.9 | 134.8 | -160.5 | 71.9 | 0 | 0 | 0 | 122.5 | ||||
| 244 | A | 33.2 | Very low | 35.2 | Very low | 102 Ų | 102 | 133.6 Ų | 133.6 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | trans | 152.5 | 137 | 133.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 245 | G | 30.9 | Very low | 35.4 | Very low | 74 Ų | 74 | 139.2 Ų | 139.2 | 76% | 0.763 | 80% | 0.799 | S | S | * | * | cis | 174.9 | 129.9 | -14.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 246 | R | 33.4 | Very low | 35.8 | Very low | 246 Ų | 246 | 137.3 Ų | 137.3 | 93% | 0.928 | 80% | 0.796 | S | S | * | * | trans | 55.2 | 130.4 | 170.3 | -65.7 | -175.6 | 174.1 | -104.2 | 1.6 | 119 | ||||
| 247 | A | 30.7 | Very low | 35.4 | Very low | 88 Ų | 88 | 136.6 Ų | 136.6 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | cis | 90.4 | 148.6 | 32.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 248 | P | 47.9 | Very low | 35.4 | Very low | 114 Ų | 114 | 137.8 Ų | 137.8 | 74% | 0.74 | 80% | 0.801 | S | S | * | * | cis | -144.2 | 174.8 | 15 | 43.9 | -25.3 | 0 | 0 | 0 | 119.6 | ||||
| 249 | Y | 30.3 | Very low | 35 | Very low | 216 Ų | 216 | 140.7 Ų | 140.7 | 85% | 0.847 | 80% | 0.804 | S | S | * | * | trans | 65.5 | 144.2 | 151.1 | -102.7 | -119.1 | 0 | 0 | 0 | 119.9 | ||||
| 250 | V | 34.1 | Very low | 35.3 | Very low | 133 Ų | 133 | 141.8 Ų | 141.8 | 81% | 0.806 | 81% | 0.805 | S | S | * | * | cis | -141.7 | 144.6 | 33.1 | -167.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 251 | G | 33 | Very low | 35.9 | Very low | 67 Ų | 67 | 139.5 Ų | 139.5 | 69% | 0.691 | 80% | 0.803 | S | S | * | * | trans | 89.8 | 78.8 | 138.6 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 252 | M | 38 | Very low | 36.3 | Very low | 163 Ų | 163 | 141.6 Ų | 141.6 | 80% | 0.803 | 81% | 0.808 | S | S | * | * | trans | -121.4 | 141.3 | 145.8 | -70.7 | -157.6 | 85.5 | 0 | 0 | 110 | T254 | M252-T254 HydrophobicContact CE-CG2 4.25Š| ||
| 253 | V | 33.9 | Very low | 35.8 | Very low | 133 Ų | 133 | 143.4 Ų | 143.4 | 81% | 0.806 | 81% | 0.812 | S | S | * | * | trans | -133 | 90.3 | 157.4 | -179.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 254 | T | 42.9 | Very low | 36.2 | Very low | 117 Ų | 117 | 145.5 Ų | 145.5 | 72% | 0.718 | 81% | 0.814 | S | S | * | * | trans | -95.2 | 125.5 | 155.5 | 42.7 | 0 | 0 | 0 | 0 | 107.6 | M252 | M252-T254 HydrophobicContact CE-CG2 4.25Š| ||
| 255 | K | 33.7 | Very low | 36.9 | Very low | 193 Ų | 193 | 144.6 Ų | 144.6 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | trans | -110.6 | 133.6 | 168.6 | -92.4 | -174 | 173.3 | -179.5 | 0 | 108.8 | ||||
| 256 | P | 40.2 | Very low | 38.4 | Very low | 129 Ų | 129 | 148.1 Ų | 148.1 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | trans | -85 | 139.9 | 172.9 | 33.9 | -32 | 0 | 0 | 0 | 110.5 | ||||
| 257 | A | 32.5 | Very low | 39.3 | Very low | 103 Ų | 103 | 143.2 Ų | 143.2 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | trans | -147.2 | 126.2 | 162.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 258 | N | 33.8 | Very low | 40.3 | Very low | 164 Ų | 164 | 146.8 Ų | 146.8 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | trans | -64.3 | 123.5 | 176.2 | -173.1 | 50.5 | 0 | 0 | 0 | 111.6 | ||||
| 259 | E | 33.8 | Very low | 40.8 | Very low | 186 Ų | 186 | 149.9 Ų | 149.9 | 87% | 0.869 | 80% | 0.801 | S | S | * | * | trans | -158.3 | 162.2 | 154 | -126 | 167.1 | -149.8 | 0 | 0 | 112.2 | ||||
| 260 | Q | 36.5 | Very low | 42 | Very low | 180 Ų | 180 | 146.4 Ų | 146.4 | 84% | 0.841 | 80% | 0.797 | S | S | * | * | trans | -76.5 | 151.4 | -160 | -74 | 155 | -53.8 | 0 | 0 | 114.5 | Q262 | Q260-Q262 PolarHBondContact O-N 2.8Š| ||
| 261 | S | 42.4 | Very low | 43 | Very low | 110 Ų | 110 | 149 Ų | 149 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | -54.8 | 113 | 168 | 48 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 262 | Q | 40.7 | Very low | 44.4 | Very low | 188 Ų | 188 | 151.8 Ų | 151.8 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | trans | -95.8 | 100.2 | 157.6 | -73.9 | -169.6 | -11.7 | 0 | 0 | 108.8 | Q260 | Q260-Q262 PolarHBondContact O-N 2.8Š| ||
| 263 | D | 37.9 | Very low | 44.8 | Very low | 141 Ų | 141 | 148.9 Ų | 148.9 | 75% | 0.754 | 81% | 0.805 | S | S | * | * | trans | -64.3 | 134.4 | 165.1 | -87.9 | -56.6 | 0 | 0 | 0 | 110.3 | S265 | D263-S265 VanDerWaalsContact C-N 3.27Å; D263-S265 PolarHBondContact O-N 3.09Å | ||
| 264 | F | 40.2 | Very low | 45.4 | Very low | 208 Ų | 208 | 150 Ų | 150 | 91% | 0.912 | 81% | 0.806 | S | S | * | * | trans | -73.2 | 79.1 | 171.2 | -97.2 | -92.4 | 0 | 0 | 0 | 110.7 | I266 | F264-I266 PolarHBondContact O-N 2.91Š| ||
| 265 | S | 48.6 | Very low | 45.2 | Very low | 84 Ų | 84 | 150.7 Ų | 150.7 | 59% | 0.587 | 81% | 0.812 | S | S | * | * | trans | -85.5 | 93.5 | 168.4 | -72.7 | 0 | 0 | 0 | 0 | 111.2 | D263 H267 | D263-S265 VanDerWaalsContact C-N 3.27Å; D263-S265 PolarHBondContact O-N 3.09Å; S265-H267 PolarHBondContact O-N 3.21Å; S265-H267 VanDerWaalsContact O-N 3.13Å; S265-H267 PolarHBondContact O-ND1 3.11Å | ||
| 266 | I | 62 | Low | 45.2 | Very low | 147 Ų | 147 | 145 Ų | 145 | 75% | 0.754 | 81% | 0.808 | S | S | * | * | trans | -63.6 | 112.3 | 170.5 | -60.9 | 172.7 | 0 | 0 | 0 | 108.4 | F264 | F264-I266 PolarHBondContact O-N 2.91Š| ||
| 267 | H | 51.2 | Low | 45 | Very low | 144 Ų | 144 | 143.7 Ų | 143.7 | 67% | 0.667 | 80% | 0.802 | S | S | * | * | trans | -91.1 | 146.9 | 171.4 | -73.9 | 60.8 | 0 | 0 | 0 | 109.6 | S265 E269 | S265-H267 PolarHBondContact O-N 3.21Å; S265-H267 VanDerWaalsContact O-N 3.13Å; S265-H267 PolarHBondContact O-ND1 3.11Å; H267-E269 PolarHBondContact O-N 3.25Å | ||
| 268 | N | 53.2 | Low | 45 | Very low | 162 Ų | 162 | 144.7 Ų | 144.7 | 87% | 0.866 | 80% | 0.803 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | 18.2 | -166.5 | -78.3 | -7.6 | 0 | 0 | 0 | 117.3 | ||
| 269 | E | 58.8 | Low | 45 | Very low | 179 Ų | 179 | 147.1 Ų | 147.1 | 84% | 0.836 | 80% | 0.801 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120 | -3.6 | -175.4 | -62.6 | -71.2 | 144.5 | 0 | 0 | 113.5 | H267 F271 | H267-E269 PolarHBondContact O-N 3.25Å; E269-F271 PolarHBondContact O-N 3.1Å; E269-F271 VanDerWaalsContact O-N 3.11Å |
| 270 | D | 54.6 | Low | 44.9 | Very low | 143 Ų | 143 | 148 Ų | 148 | 77% | 0.765 | 80% | 0.802 | S | S | * | * | trans | -88.2 | 44.1 | -177.5 | -159.5 | 23.5 | 0 | 0 | 0 | 113.5 | ||||
| 271 | F | 55.7 | Low | 44.5 | Very low | 189 Ų | 189 | 147.2 Ų | 147.2 | 83% | 0.829 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -139.1 | 124.2 | 167.5 | -99.2 | -88.3 | 0 | 0 | 0 | 109.7 | E269 A273 | E269-F271 PolarHBondContact O-N 3.1Å; E269-F271 VanDerWaalsContact O-N 3.11Å; F271-A273 PolarHBondContact O-N 2.95Å; F271-A273 VanDerWaalsContact O-N 3.15Å |
| 272 | P | 61.6 | Low | 44.5 | Very low | 125 Ų | 125 | 146.9 Ų | 146.9 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 117.5 | 177.9 | 26.2 | -32.9 | 0 | 0 | 0 | 110.4 | L274 | P272-L274 PolarHBondContact O-N 3.41Š|
| 273 | A | 47 | Very low | 44 | Very low | 101 Ų | 101 | 144.4 Ų | 144.4 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 130.4 | -173 | 0 | 0 | 0 | 0 | 0 | 113.1 | F271 | F271-A273 PolarHBondContact O-N 2.95Å; F271-A273 VanDerWaalsContact O-N 3.15Å |
| 274 | L | 46.7 | Very low | 43.6 | Very low | 158 Ų | 158 | 143 Ų | 143 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 146.2 | 166.6 | -67.4 | 169 | 0 | 0 | 0 | 109.9 | P272 G276 | P272-L274 PolarHBondContact O-N 3.41Å; L274-G276 PolarHBondContact O-N 2.71Å; L274-G276 VanDerWaalsContact O-N 3.1Å |
| 275 | P | 37.3 | Very low | 43.1 | Very low | 130 Ų | 130 | 137.8 Ų | 137.8 | 84% | 0.844 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -62 | 116.1 | 179.2 | 25.2 | -33.4 | 0 | 0 | 0 | 110.4 | ||
| 276 | G | 34.6 | Very low | 42.2 | Very low | 73 Ų | 73 | 140.6 Ų | 140.6 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 141.3 | -160.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | L274 | L274-G276 PolarHBondContact O-N 2.71Å; L274-G276 VanDerWaalsContact O-N 3.1Å |
| 277 | S | 36.5 | Very low | 40.7 | Very low | 102 Ų | 102 | 140.1 Ų | 140.1 | 71% | 0.713 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 125.7 | 156.6 | 45.2 | 0 | 0 | 0 | 0 | 109.7 | Y279 | S277-Y279 PolarHBondContact O-N 3.28Š|
| 278 | S | 32.2 | Very low | 39.8 | Very low | 124 Ų | 124 | 140.2 Ų | 140.2 | 87% | 0.867 | 80% | 0.8 | S | S | * | * | trans | -70.3 | 109.8 | -174 | -49.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 279 | Y | 33.1 | Very low | 38.9 | Very low | 216 Ų | 216 | 138.1 Ų | 138.1 | 85% | 0.847 | 80% | 0.798 | S | S | * | * | trans | -103.1 | 129.7 | 158.8 | -81.3 | -90.3 | 0 | 0 | 0 | 109.7 | S277 | S277-Y279 PolarHBondContact O-N 3.28Š| ||
| 280 | K | 32.4 | Very low | 37.8 | Very low | 205 Ų | 205 | 139.3 Ų | 139.3 | 89% | 0.891 | 80% | 0.801 | S | S | * | * | trans | -126.5 | 127.7 | 166.5 | -83.3 | -170.2 | 173.2 | -173.2 | 0 | 108.1 | ||||
| 281 | D | 27.6 | Very low | 36.8 | Very low | 162 Ų | 162 | 138.1 Ų | 138.1 | 87% | 0.866 | 80% | 0.804 | S | S | * | * | trans | -113.1 | 156.1 | 160.1 | -132.2 | 6.9 | 0 | 0 | 0 | 108.1 | ||||
| 282 | P | 43.3 | Very low | 35.6 | Very low | 104 Ų | 104 | 136.7 Ų | 136.7 | 68% | 0.675 | 80% | 0.804 | S | S | * | * | trans | -95.1 | 147.5 | -156.1 | 35.7 | -37 | 0 | 0 | 0 | 114.5 | ||||
| 283 | T | 29.1 | Very low | 34.2 | Very low | 136 Ų | 136 | 138.6 Ų | 138.6 | 83% | 0.834 | 81% | 0.807 | S | S | * | * | trans | -174.9 | 156.4 | 138.6 | 15.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 284 | S | 30.4 | Very low | 33.3 | Very low | 110 Ų | 110 | 140.7 Ų | 140.7 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | trans | 58.9 | 102.1 | 178.7 | 57.3 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 285 | S | 28.4 | Very low | 32.5 | Very low | 99 Ų | 99 | 140 Ų | 140 | 69% | 0.692 | 81% | 0.806 | S | S | * | * | 83.4 | 92 | 64.4 | 72.7 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 286 | N | 30.8 | Very low | 32.4 | Very low | 143 Ų | 143 | 139.7 Ų | 139.7 | 77% | 0.765 | 81% | 0.808 | S | S | * | * | 169.3 | 143.8 | 110 | -85.4 | -1.6 | 0 | 0 | 0 | 113.6 | |||||
| 287 | D | 31.3 | Very low | 32.1 | Very low | 138 Ų | 138 | 140 Ų | 140 | 74% | 0.738 | 81% | 0.811 | S | S | * | * | trans | 46.9 | 128 | 153.9 | -66.1 | -18.2 | 0 | 0 | 0 | 124.5 | ||||
| 288 | D | 31.7 | Very low | 32 | Very low | 145 Ų | 145 | 145 Ų | 145 | 78% | 0.775 | 82% | 0.82 | S | S | * | * | trans | 45.3 | 111.9 | 134.9 | -70.5 | -22.5 | 0 | 0 | 0 | 120.7 | ||||
| 289 | S | 34.2 | Very low | 31.7 | Very low | 118 Ų | 118 | 145.6 Ų | 145.6 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | -176.9 | 153 | 93.8 | -82.8 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 290 | K | 34.9 | Very low | 31.7 | Very low | 204 Ų | 204 | 141.8 Ų | 141.8 | 89% | 0.887 | 82% | 0.818 | S | S | * | * | trans | -67.1 | 137.7 | 175 | -60.9 | 161.3 | -179 | 165.6 | 0 | 111.4 | ||||
| 291 | S | 34.7 | Very low | 31.5 | Very low | 119 Ų | 119 | 138 Ų | 138 | 83% | 0.832 | 82% | 0.818 | S | S | * | * | 177.5 | 138.9 | 111.8 | 42.5 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 292 | N | 29 | Very low | 31.9 | Very low | 158 Ų | 158 | 135.6 Ų | 135.6 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | trans | -72 | 142.2 | 158.6 | -103.5 | -34.8 | 0 | 0 | 0 | 109.3 | ||||
| 293 | L | 32.5 | Very low | 31.4 | Very low | 166 Ų | 166 | 137.6 Ų | 137.6 | 87% | 0.869 | 82% | 0.824 | S | S | * | * | trans | -168.6 | 130.6 | 132.5 | -106.6 | 150.1 | 0 | 0 | 0 | 112.9 | ||||
| 294 | N | 29 | Very low | 31.8 | Very low | 145 Ų | 145 | 139.3 Ų | 139.3 | 78% | 0.775 | 83% | 0.828 | S | S | * | * | trans | -57.4 | 148.4 | 155 | -87.3 | -38.1 | 0 | 0 | 0 | 110.1 | ||||
| 295 | T | 29.3 | Very low | 32.2 | Very low | 142 Ų | 142 | 136.8 Ų | 136.8 | 87% | 0.871 | 82% | 0.82 | S | S | * | * | -169.5 | 150 | 121 | 29.6 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 296 | S | 35.1 | Very low | 32.8 | Very low | 124 Ų | 124 | 138.3 Ų | 138.3 | 87% | 0.867 | 83% | 0.827 | S | S | * | * | trans | -87.1 | 140.6 | 175.8 | 43.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 297 | G | 29.4 | Very low | 33.5 | Very low | 81 Ų | 81 | 139.2 Ų | 139.2 | 84% | 0.835 | 82% | 0.824 | S | S | * | * | trans | -164 | 115.8 | 173 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 298 | K | 32.7 | Very low | 33.9 | Very low | 207 Ų | 207 | 141.2 Ų | 141.2 | 90% | 0.9 | 83% | 0.827 | S | S | * | * | trans | -81.7 | 139.1 | 168.7 | -77.6 | 176.1 | 171.1 | 177.1 | 0 | 109.7 | ||||
| 299 | T | 27 | Very low | 34.3 | Very low | 135 Ų | 135 | 140.9 Ų | 140.9 | 83% | 0.828 | 83% | 0.832 | S | S | * | * | -164.4 | 121.6 | 127.8 | 35.6 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 300 | T | 31.9 | Very low | 34.8 | Very low | 137 Ų | 137 | 138.6 Ų | 138.6 | 84% | 0.84 | 83% | 0.827 | S | S | * | * | trans | -7.7 | 129.7 | 150 | 52.9 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 301 | S | 28.8 | Very low | 34.9 | Very low | 126 Ų | 126 | 135 Ų | 135 | 88% | 0.881 | 82% | 0.817 | S | S | * | * | trans | -150.1 | 141.7 | 132.5 | 60.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 302 | S | 35.7 | Very low | 35.4 | Very low | 111 Ų | 111 | 138.7 Ų | 138.7 | 78% | 0.776 | 82% | 0.819 | S | S | * | * | trans | -96.1 | 144.8 | -171.5 | 49.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 303 | T | 34.4 | Very low | 36 | Very low | 145 Ų | 145 | 137 Ų | 137 | 89% | 0.89 | 82% | 0.819 | S | S | * | * | trans | -157.5 | 140 | 138.9 | 35.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 304 | D | 36 | Very low | 36.1 | Very low | 172 Ų | 172 | 134.5 Ų | 134.5 | 92% | 0.92 | 82% | 0.815 | S | S | * | * | trans | -65.3 | 146.6 | -176.1 | -74.2 | -70.4 | 0 | 0 | 0 | 115 | ||||
| 305 | G | 39.8 | Very low | 36.6 | Very low | 58 Ų | 58 | 134 Ų | 134 | 60% | 0.598 | 82% | 0.818 | S | S | * | * | trans | -114.5 | 153.3 | 158.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | K307 | G305-K307 PolarHBondContact O-N 2.79Š| ||
| 306 | P | 41.2 | Very low | 36.8 | Very low | 131 Ų | 131 | 132.7 Ų | 132.7 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 133.3 | -168.3 | 26.8 | -34.5 | 0 | 0 | 0 | 113 | ||
| 307 | K | 44.2 | Very low | 36.9 | Very low | 162 Ų | 162 | 135.5 Ų | 135.5 | 70% | 0.704 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 124.9 | -171.7 | -167.6 | 170.7 | -178.5 | 175.7 | 0 | 111.6 | G305 | G305-K307 PolarHBondContact O-N 2.79Š|
| 308 | F | 39.5 | Very low | 37.5 | Very low | 180 Ų | 180 | 139.5 Ų | 139.5 | 79% | 0.789 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 151.8 | 176.8 | -85.3 | -94.3 | 0 | 0 | 0 | 112.5 | G310 | F308-G310 PolarHBondContact O-N 2.71Š|
| 309 | P | 40.8 | Very low | 37.7 | Very low | 138 Ų | 138 | 136.6 Ų | 136.6 | 90% | 0.896 | 81% | 0.806 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | 90.2 | -179.4 | -14.1 | 30.5 | 0 | 0 | 0 | 112.1 | ||
| 310 | G | 44.1 | Very low | 38.6 | Very low | 69 Ų | 69 | 137.6 Ų | 137.6 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -167.7 | -33 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | F308 K312 | F308-G310 PolarHBondContact O-N 2.71Å; G310-K312 VanDerWaalsContact C-N 3.35Å; G310-K312 PolarHBondContact O-N 2.71Å |
| 311 | D | 38.7 | Very low | 39.5 | Very low | 128 Ų | 128 | 139 Ų | 139 | 68% | 0.684 | 80% | 0.803 | S | S | * | * | trans | -75.4 | 80.3 | -177.9 | -81 | -19 | 0 | 0 | 0 | 113.3 | ||||
| 312 | K | 44.4 | Very low | 40.5 | Very low | 198 Ų | 198 | 139.9 Ų | 139.9 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | trans | -91.2 | 108.3 | 155.6 | -76.1 | -173.9 | 177.8 | 178.9 | 0 | 109.5 | G310 S314 | G310-K312 VanDerWaalsContact C-N 3.35Å; G310-K312 PolarHBondContact O-N 2.71Å; K312-S314 PolarHBondContact O-N 2.97Å | ||
| 313 | S | 41.8 | Very low | 41.3 | Very low | 122 Ų | 122 | 145.1 Ų | 145.1 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | trans | -65.7 | 109.8 | 168.6 | 51.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 314 | S | 33.3 | Very low | 42.7 | Very low | 113 Ų | 113 | 143.4 Ų | 143.4 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | trans | -114.3 | 101.1 | 164.9 | 60.3 | 0 | 0 | 0 | 0 | 110.2 | K312 T316 | K312-S314 PolarHBondContact O-N 2.97Å; S314-T316 PolarHBondContact O-N 3Å | ||
| 315 | T | 39.6 | Very low | 44.3 | Very low | 134 Ų | 134 | 137.7 Ų | 137.7 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | trans | -55.1 | 127.8 | 159.9 | -51 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 316 | T | 34.9 | Very low | 46.2 | Very low | 115 Ų | 115 | 138.2 Ų | 138.2 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | trans | 170.9 | 124.5 | 136.1 | -71.4 | 0 | 0 | 0 | 0 | 111.6 | S314 | S314-T316 PolarHBondContact O-N 3Š| ||
| 317 | Q | 36.2 | Very low | 47.9 | Very low | 184 Ų | 184 | 135.6 Ų | 135.6 | 86% | 0.86 | 73% | 0.729 | S | S | * | * | trans | 60.4 | 138.2 | 159.3 | -71.3 | 176.5 | -0 | 0 | 0 | 122.5 | ||||
| 318 | N | 43.3 | Very low | 49.3 | Very low | 165 Ų | 165 | 130 Ų | 130 | 88% | 0.882 | 71% | 0.708 | S | S | * | * | trans | -44.9 | 128.5 | 168.1 | -75.6 | -48.1 | 0 | 0 | 0 | 113.7 | ||||
| 319 | N | 36.9 | Very low | 51.1 | Low | 146 Ų | 146 | 125 Ų | 125 | 78% | 0.781 | 69% | 0.689 | S | S | * | * | -146.7 | 131.4 | 125.4 | -135.1 | -22.6 | 0 | 0 | 0 | 111.3 | Q321 | N319-Q321 PolarHBondContact O-N 3.36Š| |||
| 320 | N | 45.4 | Very low | 52.5 | Low | 156 Ų | 156 | 125.2 Ų | 125.2 | 83% | 0.834 | 69% | 0.691 | S | S | * | * | trans | -87.1 | 54.4 | -166.1 | -160.3 | 10.2 | 0 | 0 | 0 | 111.9 | ||||
| 321 | Q | 49.4 | Very low | 53.7 | Low | 166 Ų | 166 | 126.7 Ų | 126.7 | 78% | 0.776 | 68% | 0.682 | S | S | * | * | trans | -99.3 | 103.6 | 168.6 | -68.8 | -172.1 | 11.1 | 0 | 0 | 108.4 | N319 K323 | N319-Q321 PolarHBondContact O-N 3.36Å; Q321-K323 PolarHBondContact O-N 3.05Å | ||
| 322 | Q | 50.9 | Low | 55.2 | Low | 145 Ų | 145 | 122.1 Ų | 122.1 | 68% | 0.678 | 67% | 0.666 | S | S | * | * | trans | -41.8 | 134.4 | 163.9 | -65.7 | 168.1 | -26.5 | 0 | 0 | 108.9 | K324 | Q322-K324 HydrophobicContact CB-CG 4.23Å; Q322-K324 PolarHBondContact O-N 3.13Å | ||
| 323 | K | 53.1 | Low | 56.7 | Low | 221 Ų | 221 | 121.1 Ų | 121.1 | 96% | 0.961 | 66% | 0.657 | S | S | * | * | trans | -66.4 | 69.3 | 164.1 | -75.2 | -174.4 | 177.6 | -179.8 | 0 | 109.2 | Q321 G325 | Q321-K323 PolarHBondContact O-N 3.05Å; K323-G325 PolarHBondContact O-N 2.94Å | ||
| 324 | K | 63.1 | Low | 58.6 | Low | 109 Ų | 109 | 116.5 Ų | 116.5 | 47% | 0.474 | 62% | 0.623 | S | S | . | * | trans | -58.8 | 121.4 | 161.8 | -76.9 | 171.1 | 163 | -168.9 | 0 | 105.2 | Q322 Q327 | Q322-K324 HydrophobicContact CB-CG 4.23Å; Q322-K324 PolarHBondContact O-N 3.13Å; K324-Q327 HydrophobicContact CB-CG 4.33Å | ||
| 325 | G | 70.5 | Confident | 60.9 | Low | 52 Ų | 52 | 113.4 Ų | 113.4 | 54% | 0.536 | 60% | 0.599 | S | S | . | * | trans | -63.6 | -165 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111 | K323 Q327 | K323-G325 PolarHBondContact O-N 2.94Å; G325-Q327 WeakPolarHBondContact O-CG 3.34Å; G325-Q327 PolarHBondContact O-N 3.43Å | ||
| 326 | I | 79.3 | Confident | 63 | Low | 69 Ų | 69 | 111.1 Ų | 111.1 | 35% | 0.354 | 58% | 0.582 | S | S | . | * | S | Bend | trans | -52.2 | 118.4 | 175.6 | -61.1 | 165.3 | 0 | 0 | 0 | 109 | V334 M341 I349 L352 | I326-V334 HydrophobicContact CG2-CG1 3.27Å; I326-M341 HydrophobicContact CD1-CE 3.74Å; I326-M341 HydrophobicContact CD1-SD 3.68Å; I326-I349 HydrophobicContact CD1-CD1 3.97Å; I326-I349 HydrophobicContact CG1-CD1 4.38Å; I326-I349 HydrophobicContact CG2-CD1 3.77Å; I326-L352 HydrophobicContact CG2-CD2 4.08Å |
| 327 | Q | 75.7 | Confident | 65.2 | Low | 76 Ų | 76 | 108.1 Ų | 108.1 | 36% | 0.355 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.7 | 117.5 | -178.8 | -78.1 | -163.2 | -25.3 | 0 | 0 | 110.5 | K324 G325 T335 | K324-Q327 HydrophobicContact CB-CG 4.33Å; G325-Q327 WeakPolarHBondContact O-CG 3.34Å; G325-Q327 PolarHBondContact O-N 3.43Å; Q327-T335 PolarHBondContact N-O 3.12Å; Q327-T335 PolarHBondContact O-N 3.4Å; Q327-T335 PolarHBondContact O-OG1 3.21Å |
| 328 | V | 74.1 | Confident | 67.4 | Low | 43 Ų | 43 | 103 Ų | 103 | 26% | 0.261 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 124.6 | 169.5 | -165.2 | 0 | 0 | 0 | 0 | 108.3 | V334 L352 R356 | V328-V334 HydrophobicContact CG1-CG2 4.26Å; V328-V334 HydrophobicContact CG2-CG1 4.43Å; V328-V334 HydrophobicContact CG2-CG2 4.12Å; V328-L352 HydrophobicContact CG2-CD1 4.27Å; V328-L352 HydrophobicContact CG2-CD2 3.46Å; V328-L352 VanDerWaalsContact CG2-CD2 3.46Å; V328-L352 HydrophobicContact CG2-CG 3.66Å; V328-R356 HydrophobicContact CG1-CG 4.25Å |
| 329 | L | 77.9 | Confident | 69 | Low | 75 Ų | 75 | 105 Ų | 105 | 39% | 0.393 | 55% | 0.548 | S | S | . | . | trans | -83.2 | 158.5 | 173.1 | -70.2 | 166.9 | 0 | 0 | 0 | 110.3 | D331 G332 R333 T335 | L329-D331 WeakPolarHBondContact CB-OD1 3.43Å; L329-D331 PolarHBondContact O-N 3.33Å; L329-G332 PolarHBondContact O-N 3.46Å; L329-R333 WeakPolarHBondContact CB-O 3.09Å; L329-R333 HydrophobicContact CD1-CB 4.34Å; L329-R333 PolarHBondContact N-O 2.87Å; L329-T335 HydrophobicContact CD1-CG2 3.71Å; L329-T335 HydrophobicContact CG-CG2 4.37Å | ||
| 330 | P | 69.4 | Low | 71.1 | Confident | 144 Ų | 144 | 102.1 Ų | 102.1 | 94% | 0.935 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | -12 | 178.1 | -23.7 | 34.9 | 0 | 0 | 0 | 115.3 | G332 | P330-G332 VanDerWaalsContact C-N 3.29Š|
| 331 | D | 70.1 | Confident | 72.9 | Confident | 99 Ų | 99 | 97.4 Ų | 97.4 | 53% | 0.529 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 8.9 | 173.6 | 70.2 | -13 | 0 | 0 | 0 | 113.1 | L329 R333 | L329-D331 WeakPolarHBondContact CB-OD1 3.43Å; L329-D331 PolarHBondContact O-N 3.33Å; D331-R333 PolarHBondContact O-N 2.97Å; D331-R333 VanDerWaalsContact OD1-CB 3.29Å; D331-R333 WeakPolarHBondContact OD1-CB 3.48Å; D331-R333 PolarHBondContact OD1-N 3.23Å; D331-R333 VanDerWaalsContact OD2-CD 3.24Å; D331-R333 WeakPolarHBondContact OD2-CD 3.29Å; D331-R333 WeakPolarHBondContact OD2-CG 3.24Å; D331-R333 IonicContact OD2-NE 2.95Å |
| 332 | G | 69.1 | Low | 74.7 | Confident | 33 Ų | 33 | 93.1 Ų | 93.1 | 34% | 0.34 | 51% | 0.512 | S | S | . | . | S | Bend | trans | 78.1 | -1.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | L329 P330 | L329-G332 PolarHBondContact O-N 3.46Å; P330-G332 VanDerWaalsContact C-N 3.29Å |
| 333 | R | 77.2 | Confident | 76.3 | Confident | 177 Ų | 177 | 91.1 Ų | 91.1 | 67% | 0.668 | 51% | 0.51 | S | S | * | . | trans | -79.5 | 133 | 179.6 | -65 | -174.7 | 177.1 | -173.7 | -2.7 | 111.4 | L329 D331 | L329-R333 WeakPolarHBondContact CB-O 3.09Å; L329-R333 HydrophobicContact CD1-CB 4.34Å; L329-R333 PolarHBondContact N-O 2.87Å; D331-R333 PolarHBondContact O-N 2.97Å; D331-R333 VanDerWaalsContact OD1-CB 3.29Å; D331-R333 WeakPolarHBondContact OD1-CB 3.48Å; D331-R333 PolarHBondContact OD1-N 3.23Å; D331-R333 VanDerWaalsContact OD2-CD 3.24Å; D331-R333 WeakPolarHBondContact OD2-CD 3.29Å; D331-R333 WeakPolarHBondContact OD2-CG 3.24Å; D331-R333 IonicContact OD2-NE 2.95Å | ||
| 334 | V | 80.5 | Confident | 77.9 | Confident | 24 Ų | 24 | 84.3 Ų | 84.3 | 15% | 0.145 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 126.9 | 178.5 | -167.2 | 0 | 0 | 0 | 0 | 110.3 | I326 V328 I337 I349 T353 | I326-V334 HydrophobicContact CG2-CG1 3.27Å; V328-V334 HydrophobicContact CG1-CG2 4.26Å; V328-V334 HydrophobicContact CG2-CG1 4.43Å; V328-V334 HydrophobicContact CG2-CG2 4.12Å; V334-I337 HydrophobicContact CB-CD1 4.32Å; V334-I337 HydrophobicContact CG1-CD1 4.36Å; V334-I337 HydrophobicContact CG1-CG1 4.17Å; V334-I349 HydrophobicContact CB-CG2 3.76Å; V334-I349 HydrophobicContact CG1-CD1 4.04Å; V334-I349 HydrophobicContact CG1-CG2 4.03Å; V334-I349 HydrophobicContact CG2-CG2 3.83Å; V334-T353 WeakPolarHBondContact CG2-OG1 3.41Å |
| 335 | T | 82 | Confident | 78.9 | Confident | 48 Ų | 48 | 86 Ų | 86 | 29% | 0.294 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 165.5 | -174.5 | 61.2 | 0 | 0 | 0 | 0 | 111.2 | Q327 L329 I337 | Q327-T335 PolarHBondContact N-O 3.12Å; Q327-T335 PolarHBondContact O-N 3.4Å; Q327-T335 PolarHBondContact O-OG1 3.21Å; L329-T335 HydrophobicContact CD1-CG2 3.71Å; L329-T335 HydrophobicContact CG-CG2 4.37Å; T335-I337 VanDerWaalsContact C-N 3.31Å; T335-I337 PolarHBondContact O-N 3.43Å |
| 336 | N | 83.4 | Confident | 79.9 | Confident | 86 Ų | 86 | 91.8 Ų | 91.8 | 46% | 0.46 | 50% | 0.504 | S | S | . | . | S | Bend | trans | 57.7 | 38.1 | -174.2 | -53.2 | -46.5 | 0 | 0 | 0 | 113.7 | P338 | N336-P338 WeakPolarHBondContact O-CD 3.42Š|
| 337 | I | 82.5 | Confident | 80.4 | Confident | 52 Ų | 52 | 89 Ų | 89 | 27% | 0.267 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -74.7 | 125.4 | 175.7 | -53.8 | 169.8 | 0 | 0 | 0 | 109.2 | V334 T335 M341 T343 I349 | V334-I337 HydrophobicContact CB-CD1 4.32Å; V334-I337 HydrophobicContact CG1-CD1 4.36Å; V334-I337 HydrophobicContact CG1-CG1 4.17Å; T335-I337 VanDerWaalsContact C-N 3.31Å; T335-I337 PolarHBondContact O-N 3.43Å; I337-M341 HydrophobicContact CG2-CB 3.92Å; I337-M341 HydrophobicContact CG2-CG 4.19Å; I337-M341 HydrophobicContact CG2-SD 3.93Å; I337-T343 HydrophobicContact CD1-CG2 4.31Å; I337-T343 HydrophobicContact CG2-CG2 4.03Å; I337-I349 HydrophobicContact CD1-CD1 4.2Å; I337-I349 HydrophobicContact CD1-CG1 4.09Å; I337-I349 HydrophobicContact CD1-CG2 4.02Å; I337-I349 HydrophobicContact CG1-CD1 3.92Å; I337-I349 HydrophobicContact CG1-CG1 4.3Å; I337-I349 HydrophobicContact CG2-CD1 4.11Å; I337-I349 HydrophobicContact CG2-CG1 4.13Å |
| 338 | P | 82.4 | Confident | 80.9 | Confident | 77 Ų | 77 | 91.4 Ų | 91.4 | 50% | 0.5 | 51% | 0.505 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 142.3 | 178 | -24.5 | 35 | 0 | 0 | 0 | 113.4 | N336 G340 M341 | N336-P338 WeakPolarHBondContact O-CD 3.42Å; P338-G340 PolarHBondContact O-N 2.86Å; P338-M341 WeakPolarHBondContact O-CB 3.44Å; P338-M341 PolarHBondContact O-N 3.36Å; P338-M341 VanDerWaalsContact O-N 3.11Å |
| 339 | Q | 75.1 | Confident | 81.6 | Confident | 206 Ų | 206 | 89.8 Ų | 89.8 | 96% | 0.963 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | 126 | 173.2 | -68.6 | -178.4 | -10.4 | 0 | 0 | 110.1 | ||
| 340 | G | 82.6 | Confident | 82 | Confident | 87 Ų | 87 | 86.8 Ų | 86.8 | 90% | 0.897 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101.2 | -9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | P338 | P338-G340 PolarHBondContact O-N 2.86Š|
| 341 | M | 82.4 | Confident | 82.9 | Confident | 56 Ų | 56 | 83.8 Ų | 83.8 | 28% | 0.276 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -82.1 | 141.6 | 171.9 | -170.1 | 174.1 | -175.4 | 0 | 0 | 111.2 | I326 I337 P338 T343 M348 I349 | I326-M341 HydrophobicContact CD1-CE 3.74Å; I326-M341 HydrophobicContact CD1-SD 3.68Å; I337-M341 HydrophobicContact CG2-CB 3.92Å; I337-M341 HydrophobicContact CG2-CG 4.19Å; I337-M341 HydrophobicContact CG2-SD 3.93Å; P338-M341 WeakPolarHBondContact O-CB 3.44Å; P338-M341 PolarHBondContact O-N 3.36Å; P338-M341 VanDerWaalsContact O-N 3.11Å; M341-T343 PolarHBondContact O-N 3.07Å; M341-M348 HydrophobicContact CE-CB 3.64Å; M341-I349 HydrophobicContact CE-CD1 3.57Å; M341-I349 HydrophobicContact CE-CG1 3.84Å; M341-I349 HydrophobicContact SD-CD1 3.82Å; M341-I349 HydrophobicContact SD-CG1 4.13Å |
| 342 | V | 87.7 | Confident | 83.7 | Confident | 77 Ų | 77 | 81.7 Ų | 81.7 | 47% | 0.467 | 45% | 0.446 | S | S | . | . | trans | -67.2 | 119.9 | 175 | 179.7 | 0 | 0 | 0 | 0 | 109.8 | D344 | V342-D344 HydrophobicContact CG1-CB 4.46Å; V342-D344 VanDerWaalsContact CG1-CG 3.45Å; V342-D344 WeakPolarHBondContact CG1-OD1 3.19Å | ||
| 343 | T | 84.8 | Confident | 84.4 | Confident | 102 Ų | 102 | 82.5 Ų | 82.5 | 63% | 0.626 | 45% | 0.445 | S | S | * | . | trans | -98.4 | 0.4 | -176.5 | 63.4 | 0 | 0 | 0 | 0 | 114.1 | I337 M341 | I337-T343 HydrophobicContact CD1-CG2 4.31Å; I337-T343 HydrophobicContact CG2-CG2 4.03Å; M341-T343 PolarHBondContact O-N 3.07Å | ||
| 344 | D | 85.4 | Confident | 84.8 | Confident | 78 Ų | 78 | 77.6 Ų | 77.6 | 42% | 0.417 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -86.5 | -179.4 | 178.6 | 69.6 | 33 | 0 | 0 | 0 | 112.6 | V342 F346 G347 | V342-D344 HydrophobicContact CG1-CB 4.46Å; V342-D344 VanDerWaalsContact CG1-CG 3.45Å; V342-D344 WeakPolarHBondContact CG1-OD1 3.19Å; D344-F346 PolarHBondContact O-N 3.05Å; D344-F346 WeakPolarHBondContact OD1-CA 3.43Å; D344-F346 WeakPolarHBondContact OD1-CB 3.48Å; D344-F346 PolarHBondContact OD1-N 3.21Å; D344-G347 PolarHBondContact O-N 3.07Å; D344-G347 PolarHBondContact OD1-N 2.89Å; D344-G347 VanDerWaalsContact OD1-N 3.1Å |
| 345 | Q | 85.5 | Confident | 85.2 | Confident | 146 Ų | 146 | 79.2 Ų | 79.2 | 68% | 0.682 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -17.6 | -179.9 | 68.7 | -174.1 | 12.4 | 0 | 0 | 114.7 | ||
| 346 | F | 90.5 | Very high | 85.3 | Confident | 172 Ų | 172 | 82.4 Ų | 82.4 | 75% | 0.754 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -13.6 | 179.1 | -50 | -71.5 | 0 | 0 | 0 | 112.1 | D344 | D344-F346 PolarHBondContact O-N 3.05Å; D344-F346 WeakPolarHBondContact OD1-CA 3.43Å; D344-F346 WeakPolarHBondContact OD1-CB 3.48Å; D344-F346 PolarHBondContact OD1-N 3.21Å |
| 347 | G | 89.9 | Confident | 85.3 | Confident | 10 Ų | 10 | 80 Ų | 80 | 10% | 0.103 | 43% | 0.434 | C | S | . | . | S | Bend | trans | -78.5 | 169 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | D344 I349 G350 L351 | D344-G347 PolarHBondContact O-N 3.07Å; D344-G347 PolarHBondContact OD1-N 2.89Å; D344-G347 VanDerWaalsContact OD1-N 3.1Å; G347-I349 PolarHBondContact O-N 3.38Å; G347-I349 VanDerWaalsContact O-N 3.11Å; G347-G350 WeakPolarHBondContact O-CA 3.47Å; G347-G350 PolarHBondContact O-N 2.89Å; G347-L351 PolarHBondContact O-N 3.13Å |
| 348 | M | 87.2 | Confident | 85.3 | Confident | 127 Ų | 127 | 77.7 Ų | 77.7 | 63% | 0.626 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -59.4 | -22.4 | 175.1 | -68.1 | -62.8 | -64.2 | 0 | 0 | 113.5 | M341 L351 L352 | M341-M348 HydrophobicContact CE-CB 3.64Å; M348-L351 HydrophobicContact CE-CD2 4.03Å; M348-L351 HydrophobicContact SD-CD2 4.17Å; M348-L352 WeakPolarHBondContact O-CB 3.36Å; M348-L352 PolarHBondContact O-N 3.25Å; M348-L352 VanDerWaalsContact O-N 3.09Å |
| 349 | I | 87.1 | Confident | 85.4 | Confident | 9 Ų | 9 | 79.8 Ų | 79.8 | 5% | 0.046 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -67.1 | -42.6 | 171.4 | -56.9 | -57.3 | 0 | 0 | 0 | 110.7 | I326 V334 I337 M341 G347 L352 T353 | I326-I349 HydrophobicContact CD1-CD1 3.97Å; I326-I349 HydrophobicContact CG1-CD1 4.38Å; I326-I349 HydrophobicContact CG2-CD1 3.77Å; V334-I349 HydrophobicContact CB-CG2 3.76Å; V334-I349 HydrophobicContact CG1-CD1 4.04Å; V334-I349 HydrophobicContact CG1-CG2 4.03Å; V334-I349 HydrophobicContact CG2-CG2 3.83Å; I337-I349 HydrophobicContact CD1-CD1 4.2Å; I337-I349 HydrophobicContact CD1-CG1 4.09Å; I337-I349 HydrophobicContact CD1-CG2 4.02Å; I337-I349 HydrophobicContact CG1-CD1 3.92Å; I337-I349 HydrophobicContact CG1-CG1 4.3Å; I337-I349 HydrophobicContact CG2-CD1 4.11Å; I337-I349 HydrophobicContact CG2-CG1 4.13Å; M341-I349 HydrophobicContact CE-CD1 3.57Å; M341-I349 HydrophobicContact CE-CG1 3.84Å; M341-I349 HydrophobicContact SD-CD1 3.82Å; M341-I349 HydrophobicContact SD-CG1 4.13Å; G347-I349 PolarHBondContact O-N 3.38Å; G347-I349 VanDerWaalsContact O-N 3.11Å; I349-L352 PolarHBondContact O-N 3.41Å; I349-T353 WeakPolarHBondContact O-CB 3.35Å; I349-T353 PolarHBondContact O-N 2.97Å; I349-T353 PolarHBondContact O-OG1 3.33Å |
| 350 | G | 87.3 | Confident | 85.8 | Confident | 12 Ų | 12 | 75.7 Ų | 75.7 | 12% | 0.124 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -59.5 | -48.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | G347 L352 T353 F354 | G347-G350 WeakPolarHBondContact O-CA 3.47Å; G347-G350 PolarHBondContact O-N 2.89Å; G350-L352 PolarHBondContact O-N 3.15Å; G350-T353 PolarHBondContact O-N 3.19Å; G350-F354 WeakPolarHBondContact O-CB 3.49Å; G350-F354 PolarHBondContact O-N 3.04Å |
| 351 | L | 88.3 | Confident | 85.7 | Confident | 82 Ų | 82 | 75.1 Ų | 75.1 | 43% | 0.429 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -57.4 | -47 | 175.9 | 177.9 | 61.3 | 0 | 0 | 0 | 112.5 | G347 M348 T353 F354 I355 | G347-L351 PolarHBondContact O-N 3.13Å; M348-L351 HydrophobicContact CE-CD2 4.03Å; M348-L351 HydrophobicContact SD-CD2 4.17Å; L351-T353 VanDerWaalsContact C-N 3.33Å; L351-T353 PolarHBondContact O-N 2.79Å; L351-F354 WeakPolarHBondContact O-CB 3.38Å; L351-F354 PolarHBondContact O-N 2.85Å; L351-I355 HydrophobicContact CD1-CD1 4.1Å; L351-I355 HydrophobicContact CD1-CG1 4.39Å; L351-I355 HydrophobicContact CG-CD1 4.06Å; L351-I355 WeakPolarHBondContact O-CG1 3.4Å; L351-I355 PolarHBondContact O-N 2.89Å |
| 352 | L | 86.8 | Confident | 85.4 | Confident | 55 Ų | 55 | 77.1 Ų | 77.1 | 29% | 0.288 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.3 | -38.4 | 178.4 | 178.4 | 59.4 | 0 | 0 | 0 | 112.1 | I326 V328 M348 I349 G350 F354 R356 | I326-L352 HydrophobicContact CG2-CD2 4.08Å; V328-L352 HydrophobicContact CG2-CD1 4.27Å; V328-L352 HydrophobicContact CG2-CD2 3.46Å; V328-L352 VanDerWaalsContact CG2-CD2 3.46Å; V328-L352 HydrophobicContact CG2-CG 3.66Å; M348-L352 WeakPolarHBondContact O-CB 3.36Å; M348-L352 PolarHBondContact O-N 3.25Å; M348-L352 VanDerWaalsContact O-N 3.09Å; I349-L352 PolarHBondContact O-N 3.41Å; G350-L352 PolarHBondContact O-N 3.15Å; L352-F354 VanDerWaalsContact C-N 3.34Å; L352-R356 WeakPolarHBondContact O-CG 3.34Å; L352-R356 PolarHBondContact O-N 3.32Å; L352-R356 VanDerWaalsContact O-N 3.12Å |
| 353 | T | 84.5 | Confident | 84.8 | Confident | 50 Ų | 50 | 75.5 Ų | 75.5 | 31% | 0.307 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -65.4 | -39 | 175 | -51.2 | 0 | 0 | 0 | 0 | 111.1 | V334 I349 G350 L351 R356 A357 | V334-T353 WeakPolarHBondContact CG2-OG1 3.41Å; I349-T353 WeakPolarHBondContact O-CB 3.35Å; I349-T353 PolarHBondContact O-N 2.97Å; I349-T353 PolarHBondContact O-OG1 3.33Å; G350-T353 PolarHBondContact O-N 3.19Å; L351-T353 VanDerWaalsContact C-N 3.33Å; L351-T353 PolarHBondContact O-N 2.79Å; T353-R356 PolarHBondContact O-N 3.37Å; T353-A357 WeakPolarHBondContact O-CB 3.48Å; T353-A357 PolarHBondContact O-N 3.32Å |
| 354 | F | 85.8 | Confident | 84.5 | Confident | 74 Ų | 74 | 73.5 Ų | 73.5 | 33% | 0.325 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -66.5 | -44.1 | 177.8 | -173.7 | -126.4 | 0 | 0 | 0 | 112.7 | G350 L351 L352 R356 A357 A358 M364 L367 A368 | G350-F354 WeakPolarHBondContact O-CB 3.49Å; G350-F354 PolarHBondContact O-N 3.04Å; L351-F354 WeakPolarHBondContact O-CB 3.38Å; L351-F354 PolarHBondContact O-N 2.85Å; L352-F354 VanDerWaalsContact C-N 3.34Å; F354-R356 VanDerWaalsContact C-N 3.29Å; F354-R356 PolarHBondContact O-N 3.47Å; F354-A357 PolarHBondContact O-N 3.39Å; F354-A358 PolarHBondContact O-N 3.17Å; F354-A358 VanDerWaalsContact O-N 3.13Å; F354-M364 HydrophobicContact CE2-SD 3.72Å; F354-M364 HydrophobicContact CZ-SD 4.45Å; F354-L367 HydrophobicContact CE1-CB 4.43Å; F354-L367 HydrophobicContact CZ-CB 3.82Å; F354-A368 HydrophobicContact CD1-CB 3.49Å; F354-A368 VanDerWaalsContact CD1-CB 3.49Å; F354-A368 VanDerWaalsContact CE1-CA 3.41Å; F354-A368 HydrophobicContact CE1-CB 3.41Å; F354-A368 VanDerWaalsContact CE1-CB 3.41Å; F354-A368 HydrophobicContact CE2-CB 4.43Å; F354-A368 HydrophobicContact CG-CB 4.07Å; F354-A368 HydrophobicContact CZ-CB 3.91Å |
| 355 | I | 87.4 | Confident | 84.4 | Confident | 57 Ų | 57 | 72 Ų | 72 | 29% | 0.292 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59.8 | -39.9 | 173.4 | -69.2 | 166.5 | 0 | 0 | 0 | 111.1 | L351 A358 L369 | L351-I355 HydrophobicContact CD1-CD1 4.1Å; L351-I355 HydrophobicContact CD1-CG1 4.39Å; L351-I355 HydrophobicContact CG-CD1 4.06Å; L351-I355 WeakPolarHBondContact O-CG1 3.4Å; L351-I355 PolarHBondContact O-N 2.89Å; I355-A358 WeakPolarHBondContact O-CB 3.09Å; I355-A358 PolarHBondContact O-N 3.11Å; I355-L369 HydrophobicContact CG2-CD2 4.14Å |
| 356 | R | 84.1 | Confident | 84.2 | Confident | 115 Ų | 115 | 70 Ų | 70 | 43% | 0.434 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -72 | -35.8 | 176.7 | -70.3 | -67.3 | -176.5 | -173.7 | -10 | 113.1 | V328 L352 T353 F354 A358 E359 | V328-R356 HydrophobicContact CG1-CG 4.25Å; L352-R356 WeakPolarHBondContact O-CG 3.34Å; L352-R356 PolarHBondContact O-N 3.32Å; L352-R356 VanDerWaalsContact O-N 3.12Å; T353-R356 PolarHBondContact O-N 3.37Å; F354-R356 VanDerWaalsContact C-N 3.29Å; F354-R356 PolarHBondContact O-N 3.47Å; R356-A358 PolarHBondContact O-N 2.98Å; R356-E359 WeakPolarHBondContact CD-OE2 3.38Å; R356-E359 IonicContact CZ-OE1 3.62Å; R356-E359 IonicContact CZ-OE2 3.69Å; R356-E359 IonicContact NE-OE2 2.71Å; R356-E359 IonicContact NH1-OE1 2.71Å; R356-E359 PolarHBondContact NH1-OE1 2.86Å; R356-E359 IonicContact NH1-OE2 3.5Å; R356-E359 PolarHBondContact NH1-OE2 3.43Å; R356-E359 WeakPolarHBondContact O-CB 3.45Å; R356-E359 PolarHBondContact O-N 3.15Å |
| 357 | A | 83.4 | Confident | 83.9 | Confident | 35 Ų | 35 | 68 Ų | 68 | 29% | 0.289 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60 | -36.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | T353 F354 E359 T360 D361 | T353-A357 WeakPolarHBondContact O-CB 3.48Å; T353-A357 PolarHBondContact O-N 3.32Å; F354-A357 PolarHBondContact O-N 3.39Å; A357-E359 VanDerWaalsContact C-N 3.27Å; A357-E359 PolarHBondContact O-N 2.64Å; A357-T360 CarbonylContact O-C 3.56Å; A357-T360 WeakPolarHBondContact O-CA 3.48Å; A357-T360 PolarHBondContact O-N 2.93Å; A357-T360 PolarHBondContact O-OG1 3.19Å; A357-D361 PolarHBondContact O-N 3.27Å |
| 358 | A | 84.1 | Confident | 83.6 | Confident | 4 Ų | 4 | 68.6 Ų | 68.6 | 3% | 0.033 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65.7 | -20.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | F354 I355 R356 T360 M364 V365 A368 L369 | F354-A358 PolarHBondContact O-N 3.17Å; F354-A358 VanDerWaalsContact O-N 3.13Å; I355-A358 WeakPolarHBondContact O-CB 3.09Å; I355-A358 PolarHBondContact O-N 3.11Å; R356-A358 PolarHBondContact O-N 2.98Å; A358-T360 PolarHBondContact O-N 3.12Å; A358-M364 HydrophobicContact CB-CB 4.22Å; A358-V365 HydrophobicContact CB-CG2 4.33Å; A358-V365 WeakPolarHBondContact O-CG2 3.47Å; A358-A368 HydrophobicContact CB-CB 3.76Å; A358-L369 HydrophobicContact CB-CD1 4Å; A358-L369 HydrophobicContact CB-CG 4.2Å |
| 359 | E | 83.8 | Confident | 83.6 | Confident | 122 Ų | 122 | 67.7 Ų | 67.7 | 57% | 0.57 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -19.8 | 169.5 | -60.5 | 177.7 | 157.7 | 0 | 0 | 111.9 | R356 A357 | R356-E359 WeakPolarHBondContact CD-OE2 3.38Å; R356-E359 IonicContact CZ-OE1 3.62Å; R356-E359 IonicContact CZ-OE2 3.69Å; R356-E359 IonicContact NE-OE2 2.71Å; R356-E359 IonicContact NH1-OE1 2.71Å; R356-E359 PolarHBondContact NH1-OE1 2.86Å; R356-E359 IonicContact NH1-OE2 3.5Å; R356-E359 PolarHBondContact NH1-OE2 3.43Å; R356-E359 WeakPolarHBondContact O-CB 3.45Å; R356-E359 PolarHBondContact O-N 3.15Å; A357-E359 VanDerWaalsContact C-N 3.27Å; A357-E359 PolarHBondContact O-N 2.64Å |
| 360 | T | 82.9 | Confident | 83.6 | Confident | 120 Ų | 120 | 68.9 Ų | 68.9 | 74% | 0.736 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.5 | -23.6 | -176.7 | 56.1 | 0 | 0 | 0 | 0 | 114.9 | A357 A358 | A357-T360 CarbonylContact O-C 3.56Å; A357-T360 WeakPolarHBondContact O-CA 3.48Å; A357-T360 PolarHBondContact O-N 2.93Å; A357-T360 PolarHBondContact O-OG1 3.19Å; A358-T360 PolarHBondContact O-N 3.12Å |
| 361 | D | 80.6 | Confident | 83.7 | Confident | 74 Ų | 74 | 71.1 Ų | 71.1 | 40% | 0.396 | 40% | 0.402 | S | S | . | . | trans | -122.8 | 108.4 | -179.8 | -178.3 | 3 | 0 | 0 | 0 | 111.3 | A357 G363 M364 V365 | A357-D361 PolarHBondContact O-N 3.27Å; D361-G363 PolarHBondContact O-N 2.67Å; D361-G363 VanDerWaalsContact O-N 3.15Å; D361-G363 PolarHBondContact OD1-N 3.14Å; D361-M364 HydrophobicContact CB-CB 4.33Å; D361-M364 HydrophobicContact CB-CG 4.17Å; D361-M364 PolarHBondContact O-N 2.7Å; D361-M364 WeakPolarHBondContact OD2-CG 3.15Å; D361-V365 PolarHBondContact O-N 3.33Å | ||
| 362 | P | 75.6 | Confident | 83.8 | Confident | 99 Ų | 99 | 71.8 Ų | 71.8 | 64% | 0.643 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -55.3 | -27.6 | 174.8 | -26.3 | 35.6 | 0 | 0 | 0 | 114.6 | M364 H366 | P362-M364 VanDerWaalsContact C-N 3.29Å; P362-M364 PolarHBondContact O-N 2.99Å; P362-H366 PolarHBondContact O-ND1 3.44Å |
| 363 | G | 76.7 | Confident | 83.8 | Confident | 43 Ų | 43 | 74.1 Ų | 74.1 | 44% | 0.443 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -67.1 | -30.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | D361 | D361-G363 PolarHBondContact O-N 2.67Å; D361-G363 VanDerWaalsContact O-N 3.15Å; D361-G363 PolarHBondContact OD1-N 3.14Å |
| 364 | M | 78.6 | Confident | 84.1 | Confident | 59 Ų | 59 | 76 Ų | 76 | 29% | 0.291 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -87.8 | -19.5 | 179.7 | -64.6 | -64.6 | 96.4 | 0 | 0 | 113.5 | F354 A358 D361 P362 H366 L367 A368 | F354-M364 HydrophobicContact CE2-SD 3.72Å; F354-M364 HydrophobicContact CZ-SD 4.45Å; A358-M364 HydrophobicContact CB-CB 4.22Å; D361-M364 HydrophobicContact CB-CB 4.33Å; D361-M364 HydrophobicContact CB-CG 4.17Å; D361-M364 PolarHBondContact O-N 2.7Å; D361-M364 WeakPolarHBondContact OD2-CG 3.15Å; P362-M364 VanDerWaalsContact C-N 3.29Å; P362-M364 PolarHBondContact O-N 2.99Å; M364-H366 VanDerWaalsContact C-N 3.31Å; M364-H366 PolarHBondContact O-N 3.32Å; M364-L367 HydrophobicContact CE-CD1 3.94Å; M364-L367 PolarHBondContact O-N 2.97Å; M364-L367 VanDerWaalsContact O-N 3.11Å; M364-A368 WeakPolarHBondContact O-CB 3.5Å; M364-A368 PolarHBondContact O-N 3.46Å |
| 365 | V | 82.2 | Confident | 84.2 | Confident | 46 Ų | 46 | 77.4 Ų | 77.4 | 28% | 0.279 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -49.2 | -52.2 | 174.6 | 174.6 | 0 | 0 | 0 | 0 | 111.4 | A358 D361 L367 A368 L369 G370 | A358-V365 HydrophobicContact CB-CG2 4.33Å; A358-V365 WeakPolarHBondContact O-CG2 3.47Å; D361-V365 PolarHBondContact O-N 3.33Å; V365-L367 PolarHBondContact O-N 3.1Å; V365-A368 PolarHBondContact O-N 3.36Å; V365-L369 HydrophobicContact CG1-CB 4.45Å; V365-L369 HydrophobicContact CG1-CD1 4.31Å; V365-L369 WeakPolarHBondContact O-CA 3.44Å; V365-L369 WeakPolarHBondContact O-CB 3.43Å; V365-L369 PolarHBondContact O-N 3.12Å; V365-G370 PolarHBondContact O-N 3.27Å |
| 366 | H | 80.8 | Confident | 84.2 | Confident | 105 Ų | 105 | 77.2 Ų | 77.2 | 49% | 0.486 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.8 | -26 | -176.6 | -65.1 | 84.7 | 0 | 0 | 0 | 114 | P362 M364 G370 S371 | P362-H366 PolarHBondContact O-ND1 3.44Å; M364-H366 VanDerWaalsContact C-N 3.31Å; M364-H366 PolarHBondContact O-N 3.32Å; H366-G370 WeakPolarHBondContact O-CA 3.45Å; H366-S371 PolarHBondContact CD2-OG 2.95Å |
| 367 | L | 85.3 | Confident | 84.4 | Confident | 129 Ų | 129 | 73.4 Ų | 73.4 | 68% | 0.675 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -98.7 | -31.1 | -178.3 | -64.6 | 174 | 0 | 0 | 0 | 113.2 | F354 M364 V365 | F354-L367 HydrophobicContact CE1-CB 4.43Å; F354-L367 HydrophobicContact CZ-CB 3.82Å; M364-L367 HydrophobicContact CE-CD1 3.94Å; M364-L367 PolarHBondContact O-N 2.97Å; M364-L367 VanDerWaalsContact O-N 3.11Å; V365-L367 PolarHBondContact O-N 3.1Å |
| 368 | A | 83.9 | Confident | 84.7 | Confident | 24 Ų | 24 | 74.8 Ų | 74.8 | 20% | 0.198 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -95.1 | -42.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | F354 A358 M364 V365 | F354-A368 HydrophobicContact CD1-CB 3.49Å; F354-A368 VanDerWaalsContact CD1-CB 3.49Å; F354-A368 VanDerWaalsContact CE1-CA 3.41Å; F354-A368 HydrophobicContact CE1-CB 3.41Å; F354-A368 VanDerWaalsContact CE1-CB 3.41Å; F354-A368 HydrophobicContact CE2-CB 4.43Å; F354-A368 HydrophobicContact CG-CB 4.07Å; F354-A368 HydrophobicContact CZ-CB 3.91Å; A358-A368 HydrophobicContact CB-CB 3.76Å; M364-A368 WeakPolarHBondContact O-CB 3.5Å; M364-A368 PolarHBondContact O-N 3.46Å; V365-A368 PolarHBondContact O-N 3.36Å |
| 369 | L | 87 | Confident | 85 | Confident | 108 Ų | 108 | 79 Ų | 79 | 57% | 0.565 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.2 | -21.2 | -178.5 | -62.3 | 169.6 | 0 | 0 | 0 | 111.5 | I355 A358 V365 | I355-L369 HydrophobicContact CG2-CD2 4.14Å; A358-L369 HydrophobicContact CB-CD1 4Å; A358-L369 HydrophobicContact CB-CG 4.2Å; V365-L369 HydrophobicContact CG1-CB 4.45Å; V365-L369 HydrophobicContact CG1-CD1 4.31Å; V365-L369 WeakPolarHBondContact O-CA 3.44Å; V365-L369 WeakPolarHBondContact O-CB 3.43Å; V365-L369 PolarHBondContact O-N 3.12Å |
| 370 | G | 87.4 | Confident | 85.4 | Confident | 34 Ų | 34 | 77.6 Ų | 77.6 | 35% | 0.351 | 46% | 0.46 | S | S | . | . | trans | 80.6 | -162.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V365 H366 | V365-G370 PolarHBondContact O-N 3.27Å; H366-G370 WeakPolarHBondContact O-CA 3.45Å | ||
| 371 | S | 88.2 | Confident | 85.9 | Confident | 59 Ų | 59 | 78.9 Ų | 78.9 | 41% | 0.413 | 46% | 0.463 | S | S | . | . | trans | -144.7 | 148.3 | 176.7 | -52.3 | 0 | 0 | 0 | 0 | 109.2 | H366 L373 | H366-S371 PolarHBondContact CD2-OG 2.95Å; S371-L373 PolarHBondContact O-N 2.72Å | ||
| 372 | D | 89.9 | Confident | 86.4 | Confident | 95 Ų | 95 | 77 Ų | 77 | 51% | 0.508 | 46% | 0.456 | S | S | . | . | trans | -71.3 | 99.9 | 176.2 | -176.2 | -8.6 | 0 | 0 | 0 | 110 | T374 T375 | D372-T374 VanDerWaalsContact CG-OG1 3.25Å; D372-T374 PolarHBondContact O-N 3.44Å; D372-T374 VanDerWaalsContact O-N 3.12Å; D372-T374 VanDerWaalsContact OD1-CB 3.32Å; D372-T374 WeakPolarHBondContact OD1-CB 3.47Å; D372-T374 WeakPolarHBondContact OD1-CG2 3.23Å; D372-T374 PolarHBondContact OD1-N 3.06Å; D372-T374 PolarHBondContact OD1-OG1 3.45Å; D372-T374 PolarHBondContact OD2-OG1 3.21Å; D372-T375 HydrophobicContact CB-CG2 3.95Å; D372-T375 WeakPolarHBondContact O-CB 3.32Å; D372-T375 PolarHBondContact O-N 3.3Å; D372-T375 PolarHBondContact O-OG1 3.34Å | ||
| 373 | L | 88.7 | Confident | 87.3 | Confident | 104 Ų | 104 | 78.8 Ų | 78.8 | 55% | 0.545 | 47% | 0.467 | S | S | . | . | G | 310 helix | trans | -62.9 | -17.8 | -177.8 | -55.7 | -177.8 | 0 | 0 | 0 | 113.1 | S371 T375 L376 L380 | S371-L373 PolarHBondContact O-N 2.72Å; L373-T375 PolarHBondContact O-N 3.31Å; L373-L376 HydrophobicContact CD2-CD1 3.9Å; L373-L376 WeakPolarHBondContact O-CG 3.48Å; L373-L376 PolarHBondContact O-N 2.71Å; L373-L380 HydrophobicContact CB-CD1 3.94Å |
| 374 | T | 89.8 | Confident | 88.2 | Confident | 90 Ų | 90 | 82.3 Ų | 82.3 | 55% | 0.552 | 47% | 0.472 | S | S | * | . | G | 310 helix | trans | -71.5 | -22.3 | 176.1 | 72.5 | 0 | 0 | 0 | 0 | 112.4 | D372 L376 | D372-T374 VanDerWaalsContact CG-OG1 3.25Å; D372-T374 PolarHBondContact O-N 3.44Å; D372-T374 VanDerWaalsContact O-N 3.12Å; D372-T374 VanDerWaalsContact OD1-CB 3.32Å; D372-T374 WeakPolarHBondContact OD1-CB 3.47Å; D372-T374 WeakPolarHBondContact OD1-CG2 3.23Å; D372-T374 PolarHBondContact OD1-N 3.06Å; D372-T374 PolarHBondContact OD1-OG1 3.45Å; D372-T374 PolarHBondContact OD2-OG1 3.21Å; T374-L376 VanDerWaalsContact C-N 3.26Å; T374-L376 PolarHBondContact O-N 3.38Å |
| 375 | T | 88.6 | Confident | 89 | Confident | 103 Ų | 103 | 84.9 Ų | 84.9 | 63% | 0.632 | 49% | 0.487 | S | S | * | . | G | 310 helix | trans | -76.2 | -10.3 | 178.7 | 66.9 | 0 | 0 | 0 | 0 | 113.7 | D372 L373 G377 | D372-T375 HydrophobicContact CB-CG2 3.95Å; D372-T375 WeakPolarHBondContact O-CB 3.32Å; D372-T375 PolarHBondContact O-N 3.3Å; D372-T375 PolarHBondContact O-OG1 3.34Å; L373-T375 PolarHBondContact O-N 3.31Å; T375-G377 PolarHBondContact O-N 2.84Å; T375-G377 VanDerWaalsContact O-N 3.14Å |
| 376 | L | 87.8 | Confident | 89.5 | Confident | 54 Ų | 54 | 85.8 Ų | 85.8 | 28% | 0.283 | 49% | 0.49 | S | S | . | . | G | 310 helix | trans | -78.7 | 6.7 | -172 | -54.5 | -171.8 | 0 | 0 | 0 | 114.8 | L373 T374 L378 F531 | L373-L376 HydrophobicContact CD2-CD1 3.9Å; L373-L376 WeakPolarHBondContact O-CG 3.48Å; L373-L376 PolarHBondContact O-N 2.71Å; T374-L376 VanDerWaalsContact C-N 3.26Å; T374-L376 PolarHBondContact O-N 3.38Å; L376-L378 PolarHBondContact O-N 3.3Å; L376-F531 HydrophobicContact CD1-CE1 4.47Å; L376-F531 HydrophobicContact CD2-CD1 4.32Å; L376-F531 HydrophobicContact CD2-CE1 3.57Å; L376-F531 HydrophobicContact CD2-CZ 4.42Å |
| 377 | G | 86.4 | Confident | 90.2 | Very high | 35 Ų | 35 | 89 Ų | 89 | 36% | 0.361 | 50% | 0.499 | S | S | . | . | S | Bend | trans | 76.4 | 6.4 | -179 | 0 | 0 | 0 | 0 | 0 | 114.8 | T375 | T375-G377 PolarHBondContact O-N 2.84Å; T375-G377 VanDerWaalsContact O-N 3.14Å |
| 378 | L | 90.2 | Very high | 90.5 | Very high | 63 Ų | 63 | 86.3 Ų | 86.3 | 33% | 0.33 | 49% | 0.489 | S | S | . | . | trans | -94.7 | 126.5 | 172.1 | -63.7 | 179 | 0 | 0 | 0 | 110.2 | L376 L380 L386 F390 | L376-L378 PolarHBondContact O-N 3.3Å; L378-L380 VanDerWaalsContact C-N 3.32Å; L378-L380 HydrophobicContact CB-CD2 4.05Å; L378-L380 PolarHBondContact O-N 3Å; L378-L386 HydrophobicContact CB-CD1 4.37Å; L378-F390 HydrophobicContact CD2-CD2 4.33Å | ||
| 379 | N | 91.1 | Very high | 90.9 | Very high | 94 Ų | 94 | 90 Ų | 90 | 50% | 0.503 | 50% | 0.501 | S | S | . | . | trans | -77.4 | 82.8 | 173.2 | -176.3 | 11.3 | 0 | 0 | 0 | 110.6 | N381 S382 | N379-N381 PolarHBondContact O-N 2.91Å; N379-N381 VanDerWaalsContact O-N 3.12Å; N379-N381 PolarHBondContact OD1-N 3Å; N379-S382 WeakPolarHBondContact O-CB 3.43Å; N379-S382 PolarHBondContact O-N 3.36Å; N379-S382 PolarHBondContact OD1-N 2.66Å | ||
| 380 | L | 91.1 | Very high | 91.3 | Very high | 92 Ų | 92 | 89.5 Ų | 89.5 | 48% | 0.482 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -16.2 | 178.9 | -56.2 | -178.4 | 0 | 0 | 0 | 113.5 | L373 L378 L386 | L373-L380 HydrophobicContact CB-CD1 3.94Å; L378-L380 VanDerWaalsContact C-N 3.32Å; L378-L380 HydrophobicContact CB-CD2 4.05Å; L378-L380 PolarHBondContact O-N 3Å; L380-L386 HydrophobicContact CD2-CD1 4.42Å |
| 381 | N | 93.8 | Very high | 91.5 | Very high | 147 Ų | 147 | 90.3 Ų | 90.3 | 79% | 0.786 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | 8 | 174.8 | -62.4 | -35.9 | 0 | 0 | 0 | 113 | N379 | N379-N381 PolarHBondContact O-N 2.91Å; N379-N381 VanDerWaalsContact O-N 3.12Å; N379-N381 PolarHBondContact OD1-N 3Å |
| 382 | S | 92.5 | Very high | 91.7 | Very high | 35 Ų | 35 | 89.1 Ų | 89.1 | 25% | 0.245 | 49% | 0.489 | C | S | . | . | trans | -66.1 | 129.4 | 177.9 | 177.2 | 0 | 0 | 0 | 0 | 111.4 | N379 E384 | N379-S382 WeakPolarHBondContact O-CB 3.43Å; N379-S382 PolarHBondContact O-N 3.36Å; N379-S382 PolarHBondContact OD1-N 2.66Å; S382-E384 WeakPolarHBondContact CB-O 3.48Å; S382-E384 PolarHBondContact OG-N 3.08Å; S382-E384 VanDerWaalsContact OG-N 3.08Å; S382-E384 PolarHBondContact OG-O 2.77Å | ||
| 383 | P | 94.1 | Very high | 91.8 | Very high | 136 Ų | 136 | 88.8 Ų | 88.8 | 88% | 0.883 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -74.6 | -15.9 | 168 | 32.5 | -35.2 | 0 | 0 | 0 | 112.3 | ||
| 384 | E | 95.6 | Very high | 92 | Very high | 117 Ų | 117 | 91 Ų | 91 | 55% | 0.547 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -89.4 | 148 | 173 | -63.8 | -174.6 | 173.8 | 0 | 0 | 111.5 | S382 L386 K389 | S382-E384 WeakPolarHBondContact CB-O 3.48Å; S382-E384 PolarHBondContact OG-N 3.08Å; S382-E384 VanDerWaalsContact OG-N 3.08Å; S382-E384 PolarHBondContact OG-O 2.77Å; E384-L386 PolarHBondContact O-N 3.47Å; E384-K389 IonicContact OE2-NZ 2.71Å; E384-K389 PolarHBondContact OE2-NZ 3.36Å |
| 385 | N | 94.4 | Very high | 92.1 | Very high | 113 Ų | 113 | 88.4 Ų | 88.4 | 60% | 0.604 | 48% | 0.481 | S | S | * | . | trans | -54.9 | 134.6 | 168.9 | -72.3 | -46.4 | 0 | 0 | 0 | 111.7 | Y387 P388 | N385-Y387 HydrophobicContact CB-CD1 3.79Å; N385-Y387 HydrophobicContact CB-CE1 3.63Å; N385-P388 HydrophobicContact CB-CG 4.35Å; N385-P388 VanDerWaalsContact O-CD 3.22Å; N385-P388 WeakPolarHBondContact O-CD 3.49Å | ||
| 386 | L | 93.6 | Very high | 92.1 | Very high | 64 Ų | 64 | 87.6 Ų | 87.6 | 34% | 0.335 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -80.9 | -31.2 | 179.7 | -61.3 | -179.5 | 0 | 0 | 0 | 113.6 | L378 L380 E384 K389 F390 | L378-L386 HydrophobicContact CB-CD1 4.37Å; L380-L386 HydrophobicContact CD2-CD1 4.42Å; E384-L386 PolarHBondContact O-N 3.47Å; L386-K389 CarbonylContact O-C 3.57Å; L386-K389 PolarHBondContact O-N 3.11Å; L386-K389 VanDerWaalsContact O-N 3.14Å; L386-F390 PolarHBondContact O-N 3.14Å |
| 387 | Y | 93.9 | Very high | 92.2 | Very high | 172 Ų | 172 | 88.9 Ų | 88.9 | 68% | 0.675 | 49% | 0.494 | S | S | * | . | G | 310 helix | trans | -56 | -34 | -174.4 | 78.9 | -97.3 | 0 | 0 | 0 | 116 | N385 K389 F390 | N385-Y387 HydrophobicContact CB-CD1 3.79Å; N385-Y387 HydrophobicContact CB-CE1 3.63Å; Y387-K389 PolarHBondContact O-N 3.18Å; Y387-F390 WeakPolarHBondContact O-CB 3.4Å; Y387-F390 PolarHBondContact O-N 3.08Å |
| 388 | P | 92.9 | Very high | 92.4 | Very high | 74 Ų | 74 | 90.9 Ų | 90.9 | 48% | 0.481 | 50% | 0.5 | S | S | . | . | G | 310 helix | trans | -68 | -19.7 | -179.6 | -18.3 | 32.5 | 0 | 0 | 0 | 113.8 | N385 | N385-P388 HydrophobicContact CB-CG 4.35Å; N385-P388 VanDerWaalsContact O-CD 3.22Å; N385-P388 WeakPolarHBondContact O-CD 3.49Å |
| 389 | K | 92.9 | Very high | 92.6 | Very high | 101 Ų | 101 | 89.3 Ų | 89.3 | 44% | 0.439 | 49% | 0.494 | S | S | . | . | G | 310 helix | trans | -118.1 | 17.1 | 179.3 | -58.4 | 167.4 | -175.3 | 158.4 | 0 | 110.9 | E384 L386 Y387 A391 P398 C399 | E384-K389 IonicContact OE2-NZ 2.71Å; E384-K389 PolarHBondContact OE2-NZ 3.36Å; L386-K389 CarbonylContact O-C 3.57Å; L386-K389 PolarHBondContact O-N 3.11Å; L386-K389 VanDerWaalsContact O-N 3.14Å; Y387-K389 PolarHBondContact O-N 3.18Å; K389-A391 PolarHBondContact O-N 2.94Å; K389-P398 HydrophobicContact CB-CB 4.04Å; K389-P398 CarbonylContact O-C 3.54Å; K389-P398 WeakPolarHBondContact O-CA 3.23Å; K389-P398 VanDerWaalsContact O-CB 3.24Å; K389-P398 WeakPolarHBondContact O-CB 3.42Å; K389-C399 PolarHBondContact O-N 3.27Å |
| 390 | F | 94.1 | Very high | 92.6 | Very high | 98 Ų | 98 | 88.3 Ų | 88.3 | 43% | 0.43 | 48% | 0.483 | S | S | . | . | trans | -80.7 | 111.6 | -179.5 | 179.2 | -102.8 | 0 | 0 | 0 | 110.4 | L378 L386 Y387 S392 P393 | L378-F390 HydrophobicContact CD2-CD2 4.33Å; L386-F390 PolarHBondContact O-N 3.14Å; Y387-F390 WeakPolarHBondContact O-CB 3.4Å; Y387-F390 PolarHBondContact O-N 3.08Å; F390-S392 VanDerWaalsContact CZ-C 3.49Å; F390-P393 HydrophobicContact CE1-CG 4.44Å; F390-P393 HydrophobicContact CZ-CG 4.33Å | ||
| 391 | A | 91.9 | Very high | 92.7 | Very high | 50 Ų | 50 | 88.7 Ų | 88.7 | 41% | 0.413 | 49% | 0.491 | S | S | . | . | trans | -76.6 | -55.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | K389 A395 C399 | K389-A391 PolarHBondContact O-N 2.94Å; A391-A395 HydrophobicContact CB-CB 3.72Å; A391-C399 WeakPolarHBondContact CA-SG 3.28Å | ||
| 392 | S | 92.8 | Very high | 92.6 | Very high | 35 Ų | 35 | 85.5 Ų | 85.5 | 25% | 0.245 | 47% | 0.472 | C | S | . | . | trans | -166.3 | 166.4 | 172.4 | 78 | 0 | 0 | 0 | 0 | 110.7 | F390 W394 A395 | F390-S392 VanDerWaalsContact CZ-C 3.49Å; S392-W394 PolarHBondContact O-N 2.88Å; S392-W394 PolarHBondContact OG-N 2.82Å; S392-A395 PolarHBondContact O-N 3.2Å; S392-A395 VanDerWaalsContact O-N 3.16Å; S392-A395 WeakPolarHBondContact OG-CB 3.19Å; S392-A395 PolarHBondContact OG-N 2.78Å | ||
| 393 | P | 92.3 | Very high | 92.6 | Very high | 87 Ų | 87 | 87.4 Ų | 87.4 | 57% | 0.565 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -15.1 | 172.6 | -25.3 | 36 | 0 | 0 | 0 | 115.6 | F390 | F390-P393 HydrophobicContact CE1-CG 4.44Å; F390-P393 HydrophobicContact CZ-CG 4.33Å |
| 394 | W | 92.8 | Very high | 92.6 | Very high | 150 Ų | 150 | 84.7 Ų | 84.7 | 57% | 0.568 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112 | 1.2 | -178.8 | -47.7 | -82.5 | 0 | 0 | 0 | 113.4 | S392 A527 A530 | S392-W394 PolarHBondContact O-N 2.88Å; S392-W394 PolarHBondContact OG-N 2.82Å; W394-A527 HydrophobicContact CB-CB 3.64Å; W394-A527 HydrophobicContact CG-CB 4.04Å; W394-A530 HydrophobicContact CB-CB 4.48Å |
| 395 | A | 90.8 | Very high | 92.5 | Very high | 37 Ų | 37 | 87.3 Ų | 87.3 | 31% | 0.306 | 47% | 0.474 | S | S | . | . | trans | -92.4 | 120 | -176 | 0 | 0 | 0 | 0 | 0 | 111.3 | A391 S392 S397 | A391-A395 HydrophobicContact CB-CB 3.72Å; S392-A395 PolarHBondContact O-N 3.2Å; S392-A395 VanDerWaalsContact O-N 3.16Å; S392-A395 WeakPolarHBondContact OG-CB 3.19Å; S392-A395 PolarHBondContact OG-N 2.78Å; A395-S397 PolarHBondContact O-N 2.86Å; A395-S397 VanDerWaalsContact O-N 3.17Å | ||
| 396 | S | 88.9 | Confident | 92.5 | Very high | 85 Ų | 85 | 89.7 Ų | 89.7 | 59% | 0.594 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -79.9 | 18.3 | 175.6 | -38 | 0 | 0 | 0 | 0 | 113.7 | ||
| 397 | S | 90.2 | Very high | 92.6 | Very high | 82 Ų | 82 | 94.9 Ų | 94.9 | 57% | 0.573 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -153.4 | 147.9 | 179.7 | -68.7 | 0 | 0 | 0 | 0 | 110.6 | A395 | A395-S397 PolarHBondContact O-N 2.86Å; A395-S397 VanDerWaalsContact O-N 3.17Å |
| 398 | P | 91.6 | Very high | 92.7 | Very high | 76 Ų | 76 | 89.2 Ų | 89.2 | 49% | 0.494 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 162.8 | 174.5 | 30 | -35.6 | 0 | 0 | 0 | 112.5 | K389 R400 | K389-P398 HydrophobicContact CB-CB 4.04Å; K389-P398 CarbonylContact O-C 3.54Å; K389-P398 WeakPolarHBondContact O-CA 3.23Å; K389-P398 VanDerWaalsContact O-CB 3.24Å; K389-P398 WeakPolarHBondContact O-CB 3.42Å; P398-R400 PolarHBondContact O-N 2.88Å |
| 399 | C | 92.4 | Very high | 93 | Very high | 31 Ų | 31 | 88.8 Ų | 88.8 | 21% | 0.209 | 48% | 0.482 | C | S | . | . | P | Polyproline II helix | trans | -54.7 | 132.2 | 172.3 | -61.3 | 0 | 0 | 0 | 0 | 111 | K389 A391 I404 | K389-C399 PolarHBondContact O-N 3.27Å; A391-C399 WeakPolarHBondContact CA-SG 3.28Å; C399-I404 HydrophobicContact CB-CD1 3.88Å; C399-I404 HydrophobicContact CB-CG1 3.78Å |
| 400 | R | 92.7 | Very high | 93 | Very high | 73 Ų | 73 | 87.9 Ų | 87.9 | 28% | 0.275 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -86.5 | 159.2 | 171 | -50.2 | 164.1 | -69.1 | -174.5 | 4.8 | 108.7 | P398 Q402 D403 M441 | P398-R400 PolarHBondContact O-N 2.88Å; R400-Q402 HydrophobicContact CB-CG 4.47Å; R400-Q402 VanDerWaalsContact CB-OE1 3.23Å; R400-Q402 PolarHBondContact O-N 2.92Å; R400-Q402 VanDerWaalsContact O-N 3.11Å; R400-D403 WeakPolarHBondContact CA-OD2 3.37Å; R400-D403 WeakPolarHBondContact CB-OD2 3.49Å; R400-D403 WeakPolarHBondContact CG-OD2 3.12Å; R400-D403 IonicContact CZ-OD1 2.88Å; R400-D403 IonicContact CZ-OD2 3.24Å; R400-D403 PolarHBondContact N-OD2 3.31Å; R400-D403 IonicContact NE-OD1 3.64Å; R400-D403 PolarHBondContact NE-OD1 2.86Å; R400-D403 IonicContact NE-OD2 3.11Å; R400-D403 PolarHBondContact NE-OD2 2.6Å; R400-D403 IonicContact NH2-OD1 2.76Å; R400-D403 PolarHBondContact NH2-OD1 2.81Å; R400-D403 IonicContact NH2-OD2 3.4Å; R400-D403 WeakPolarHBondContact O-CB 3.38Å; R400-D403 PolarHBondContact O-N 3.48Å; R400-M441 WeakPolarHBondContact CD-O 3.4Å |
| 401 | P | 92.4 | Very high | 93.1 | Very high | 99 Ų | 99 | 89.8 Ų | 89.8 | 64% | 0.643 | 50% | 0.498 | S | S | * | . | G | 310 helix | trans | -55.5 | -31 | 179.3 | -26.8 | 35.9 | 0 | 0 | 0 | 114.2 | D403 M441 | P401-D403 VanDerWaalsContact C-N 3.32Å; P401-M441 HydrophobicContact CG-CE 4.28Å |
| 402 | Q | 92.4 | Very high | 93.3 | Very high | 81 Ų | 81 | 95.6 Ų | 95.6 | 38% | 0.379 | 51% | 0.511 | S | S | . | . | G | 310 helix | trans | -77.4 | -11.3 | 176.1 | 70.8 | -88.8 | 26.1 | 0 | 0 | 115 | R400 M441 N442 | R400-Q402 HydrophobicContact CB-CG 4.47Å; R400-Q402 VanDerWaalsContact CB-OE1 3.23Å; R400-Q402 PolarHBondContact O-N 2.92Å; R400-Q402 VanDerWaalsContact O-N 3.11Å; Q402-M441 PolarHBondContact NE2-O 3.25Å; Q402-N442 PolarHBondContact NE2-OD1 3.3Å |
| 403 | D | 92.8 | Very high | 93.5 | Very high | 74 Ų | 74 | 98.7 Ų | 98.7 | 40% | 0.396 | 52% | 0.524 | S | S | . | . | G | 310 helix | trans | -92.1 | -10.7 | 176.8 | -51.5 | -41.4 | 0 | 0 | 0 | 112.1 | R400 P401 | R400-D403 WeakPolarHBondContact CA-OD2 3.37Å; R400-D403 WeakPolarHBondContact CB-OD2 3.49Å; R400-D403 WeakPolarHBondContact CG-OD2 3.12Å; R400-D403 IonicContact CZ-OD1 2.88Å; R400-D403 IonicContact CZ-OD2 3.24Å; R400-D403 PolarHBondContact N-OD2 3.31Å; R400-D403 IonicContact NE-OD1 3.64Å; R400-D403 PolarHBondContact NE-OD1 2.86Å; R400-D403 IonicContact NE-OD2 3.11Å; R400-D403 PolarHBondContact NE-OD2 2.6Å; R400-D403 IonicContact NH2-OD1 2.76Å; R400-D403 PolarHBondContact NH2-OD1 2.81Å; R400-D403 IonicContact NH2-OD2 3.4Å; R400-D403 WeakPolarHBondContact O-CB 3.38Å; R400-D403 PolarHBondContact O-N 3.48Å; P401-D403 VanDerWaalsContact C-N 3.32Å |
| 404 | I | 93.6 | Very high | 93.7 | Very high | 79 Ų | 79 | 98 Ų | 98 | 41% | 0.405 | 52% | 0.518 | S | S | . | . | S | Bend | trans | -102.6 | 109.9 | -175.9 | -57.9 | 174.6 | 0 | 0 | 0 | 108.8 | C399 F406 | C399-I404 HydrophobicContact CB-CD1 3.88Å; C399-I404 HydrophobicContact CB-CG1 3.78Å; I404-F406 PolarHBondContact O-N 3.08Å |
| 405 | D | 93 | Very high | 93.8 | Very high | 172 Ų | 172 | 95.3 Ų | 95.3 | 92% | 0.92 | 52% | 0.515 | S | S | * | . | trans | -61 | 126.2 | 170.5 | -77.8 | -42.9 | 0 | 0 | 0 | 110.5 | ||||
| 406 | F | 93.9 | Very high | 94 | Very high | 164 Ų | 164 | 100.3 Ų | 100.3 | 72% | 0.719 | 54% | 0.535 | S | S | * | . | trans | -126.5 | 140.6 | 180 | -169.5 | -94.7 | 0 | 0 | 0 | 110.8 | I404 V408 | I404-F406 PolarHBondContact O-N 3.08Å; F406-V408 VanDerWaalsContact C-N 3.3Å; F406-V408 HydrophobicContact CD1-CG1 4.16Å; F406-V408 PolarHBondContact O-N 3.01Å | ||
| 407 | H | 96.4 | Very high | 94.2 | Very high | 172 Ų | 172 | 103.2 Ų | 103.2 | 80% | 0.796 | 54% | 0.539 | S | S | * | . | trans | -73.6 | 84 | 176.7 | -175.5 | -70.7 | 0 | 0 | 0 | 110.8 | ||||
| 408 | V | 96.6 | Very high | 94.5 | Very high | 54 Ų | 54 | 102.8 Ų | 102.8 | 33% | 0.327 | 53% | 0.529 | S | S | . | . | trans | -74.9 | 151.9 | 173.4 | -64.5 | 0 | 0 | 0 | 0 | 111.9 | F406 Y412 L413 | F406-V408 VanDerWaalsContact C-N 3.3Å; F406-V408 HydrophobicContact CD1-CG1 4.16Å; F406-V408 PolarHBondContact O-N 3.01Å; V408-Y412 HydrophobicContact CB-CD2 4.26Å; V408-L413 HydrophobicContact CG2-CD2 3.64Å; V408-L413 HydrophobicContact CG2-CG 4.25Å | ||
| 409 | P | 97.5 | Very high | 94.6 | Very high | 64 Ų | 64 | 108 Ų | 108 | 42% | 0.416 | 54% | 0.54 | S | S | . | . | trans | -52.2 | 145.2 | 166.5 | -26 | 34.5 | 0 | 0 | 0 | 112.3 | E411 Y412 | P409-E411 WeakPolarHBondContact CB-OE2 3.32Å; P409-E411 PolarHBondContact O-N 3.39Å; P409-E411 VanDerWaalsContact O-N 3.17Å; P409-Y412 HydrophobicContact CB-CD2 4.45Å; P409-Y412 HydrophobicContact CG-CD2 4.28Å; P409-Y412 HydrophobicContact CG-CE2 4.15Å; P409-Y412 PolarHBondContact O-N 2.75Å | ||
| 410 | S | 94.8 | Very high | 94.8 | Very high | 82 Ų | 82 | 114.3 Ų | 114.3 | 57% | 0.573 | 57% | 0.571 | S | S | * | * | G | 310 helix | trans | -64.7 | -23.8 | -172.3 | 57.5 | 0 | 0 | 0 | 0 | 112.9 | Y412 L413 | S410-Y412 PolarHBondContact O-N 3.37Å; S410-L413 WeakPolarHBondContact O-CB 3.22Å; S410-L413 PolarHBondContact O-N 2.79Å; S410-L413 VanDerWaalsContact O-N 3.14Å |
| 411 | E | 95.4 | Very high | 94.9 | Very high | 139 Ų | 139 | 119.6 Ų | 119.6 | 65% | 0.65 | 60% | 0.596 | S | S | * | * | G | 310 helix | trans | -62.5 | -26.2 | 174.2 | -57.2 | 80.2 | -177.4 | 0 | 0 | 112.6 | P409 T414 | P409-E411 WeakPolarHBondContact CB-OE2 3.32Å; P409-E411 PolarHBondContact O-N 3.39Å; P409-E411 VanDerWaalsContact O-N 3.17Å; E411-T414 WeakPolarHBondContact O-CG2 3.35Å |
| 412 | Y | 96.7 | Very high | 95 | Very high | 171 Ų | 171 | 119.9 Ų | 119.9 | 67% | 0.671 | 59% | 0.591 | S | S | * | * | G | 310 helix | trans | -85.1 | -11.5 | 177.6 | -61.4 | -21.6 | 0 | 0 | 0 | 113.5 | V408 P409 S410 T414 | V408-Y412 HydrophobicContact CB-CD2 4.26Å; P409-Y412 HydrophobicContact CB-CD2 4.45Å; P409-Y412 HydrophobicContact CG-CD2 4.28Å; P409-Y412 HydrophobicContact CG-CE2 4.15Å; P409-Y412 PolarHBondContact O-N 2.75Å; S410-Y412 PolarHBondContact O-N 3.37Å; Y412-T414 PolarHBondContact O-N 2.94Å |
| 413 | L | 95.4 | Very high | 95.1 | Very high | 101 Ų | 101 | 118.7 Ų | 118.7 | 53% | 0.529 | 60% | 0.595 | S | S | . | * | trans | -76.2 | 50.1 | 174.9 | -57.6 | 178.3 | 0 | 0 | 0 | 111.5 | V408 S410 N415 I416 | V408-L413 HydrophobicContact CG2-CD2 3.64Å; V408-L413 HydrophobicContact CG2-CG 4.25Å; S410-L413 WeakPolarHBondContact O-CB 3.22Å; S410-L413 PolarHBondContact O-N 2.79Å; S410-L413 VanDerWaalsContact O-N 3.14Å; L413-N415 PolarHBondContact O-N 2.95Å; L413-I416 WeakPolarHBondContact O-CG2 3.48Å | ||
| 414 | T | 96.4 | Very high | 95.1 | Very high | 71 Ų | 71 | 118.6 Ų | 118.6 | 44% | 0.436 | 61% | 0.605 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.1 | -31.9 | -170.3 | 56 | 0 | 0 | 0 | 0 | 113.6 | E411 Y412 I416 H417 I418 | E411-T414 WeakPolarHBondContact O-CG2 3.35Å; Y412-T414 PolarHBondContact O-N 2.94Å; T414-I416 VanDerWaalsContact C-N 3.28Å; T414-I416 PolarHBondContact O-N 2.97Å; T414-I416 VanDerWaalsContact O-N 3.15Å; T414-H417 WeakPolarHBondContact O-CB 3.33Å; T414-H417 PolarHBondContact O-N 2.97Å; T414-I418 PolarHBondContact O-N 3.46Å; T414-I418 VanDerWaalsContact O-N 3.15Å |
| 415 | N | 95.3 | Very high | 95.1 | Very high | 95 Ų | 95 | 121.2 Ų | 121.2 | 51% | 0.508 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -53.2 | -41.1 | -171.5 | -172 | 27.4 | 0 | 0 | 0 | 113 | L413 H417 I418 R419 | L413-N415 PolarHBondContact O-N 2.95Å; N415-H417 PolarHBondContact O-N 3.1Å; N415-I418 PolarHBondContact O-N 2.82Å; N415-R419 WeakPolarHBondContact O-CB 3.24Å; N415-R419 PolarHBondContact O-N 3.26Å |
| 416 | I | 94.5 | Very high | 95.2 | Very high | 142 Ų | 142 | 119.5 Ų | 119.5 | 73% | 0.728 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -60.9 | -28.2 | 178.5 | -164.7 | 173.7 | 0 | 0 | 0 | 113.2 | L413 T414 | L413-I416 WeakPolarHBondContact O-CG2 3.48Å; T414-I416 VanDerWaalsContact C-N 3.28Å; T414-I416 PolarHBondContact O-N 2.97Å; T414-I416 VanDerWaalsContact O-N 3.15Å |
| 417 | H | 94.6 | Very high | 95.2 | Very high | 146 Ų | 146 | 112.9 Ų | 112.9 | 68% | 0.676 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -94.9 | -28 | -176.3 | -55.7 | 108.8 | 0 | 0 | 0 | 113.8 | T414 N415 | T414-H417 WeakPolarHBondContact O-CB 3.33Å; T414-H417 PolarHBondContact O-N 2.97Å; N415-H417 PolarHBondContact O-N 3.1Å |
| 418 | I | 96.1 | Very high | 95.1 | Very high | 72 Ų | 72 | 107.4 Ų | 107.4 | 37% | 0.369 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -121.8 | 4.4 | -170.6 | 72 | 172.7 | 0 | 0 | 0 | 115 | T414 N415 D420 K421 L422 | T414-I418 PolarHBondContact O-N 3.46Å; T414-I418 VanDerWaalsContact O-N 3.15Å; N415-I418 PolarHBondContact O-N 2.82Å; I418-D420 VanDerWaalsContact C-N 3.29Å; I418-D420 PolarHBondContact O-N 3.24Å; I418-D420 VanDerWaalsContact O-N 3.1Å; I418-K421 CarbonylContact O-C 3.52Å; I418-K421 WeakPolarHBondContact O-CA 3.32Å; I418-K421 PolarHBondContact O-N 3.39Å; I418-L422 PolarHBondContact O-N 3.14Å |
| 419 | R | 94.2 | Very high | 95.1 | Very high | 187 Ų | 187 | 113.2 Ų | 113.2 | 71% | 0.706 | 58% | 0.58 | S | S | * | * | G | 310 helix | trans | -42.4 | -50.1 | -175.4 | -171.5 | 179.3 | -180 | -177 | 0.2 | 114.3 | N415 K421 L422 | N415-R419 WeakPolarHBondContact O-CB 3.24Å; N415-R419 PolarHBondContact O-N 3.26Å; R419-K421 VanDerWaalsContact C-N 3.27Å; R419-K421 PolarHBondContact O-N 3.22Å; R419-L422 PolarHBondContact O-N 3.33Å |
| 420 | D | 95 | Very high | 95.1 | Very high | 162 Ų | 162 | 113.1 Ų | 113.1 | 87% | 0.866 | 57% | 0.572 | S | S | * | * | G | 310 helix | trans | -75.5 | -16.3 | -175.3 | -52.5 | -39.9 | 0 | 0 | 0 | 113.5 | I418 | I418-D420 VanDerWaalsContact C-N 3.29Å; I418-D420 PolarHBondContact O-N 3.24Å; I418-D420 VanDerWaalsContact O-N 3.1Å |
| 421 | K | 95.6 | Very high | 95.2 | Very high | 184 Ų | 184 | 111.5 Ų | 111.5 | 80% | 0.8 | 57% | 0.568 | S | S | * | * | G | 310 helix | trans | -98.9 | -15.4 | 176.7 | -62.3 | 176 | -177.5 | 171.5 | 0 | 112.3 | I418 R419 A423 | I418-K421 CarbonylContact O-C 3.52Å; I418-K421 WeakPolarHBondContact O-CA 3.32Å; I418-K421 PolarHBondContact O-N 3.39Å; R419-K421 VanDerWaalsContact C-N 3.27Å; R419-K421 PolarHBondContact O-N 3.22Å; K421-A423 PolarHBondContact O-N 2.89Å |
| 422 | L | 95 | Very high | 95.2 | Very high | 105 Ų | 105 | 107.6 Ų | 107.6 | 55% | 0.55 | 55% | 0.55 | S | S | . | . | S | Bend | trans | -68.2 | 126.8 | -177.8 | -175.3 | 61.1 | 0 | 0 | 0 | 109.9 | I418 R419 A424 | I418-L422 PolarHBondContact O-N 3.14Å; R419-L422 PolarHBondContact O-N 3.33Å; L422-A424 PolarHBondContact O-N 2.82Å |
| 423 | A | 94.4 | Very high | 95.3 | Very high | 56 Ų | 56 | 104 Ų | 104 | 46% | 0.463 | 54% | 0.543 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 127.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111 | K421 | K421-A423 PolarHBondContact O-N 2.89Š|
| 424 | A | 93.3 | Very high | 95.4 | Very high | 72 Ų | 72 | 102.3 Ų | 102.3 | 60% | 0.595 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -55.2 | 139.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L422 K426 | L422-A424 PolarHBondContact O-N 2.82Å; A424-K426 PolarHBondContact O-N 2.97Å |
| 425 | I | 93.4 | Very high | 95.5 | Very high | 135 Ų | 135 | 98.9 Ų | 98.9 | 69% | 0.692 | 51% | 0.513 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 121.3 | -179 | -62.3 | 172.6 | 0 | 0 | 0 | 109.6 | Y430 | I425-Y430 WeakPolarHBondContact CA-OH 3.2Å; I425-Y430 HydrophobicContact CG2-CE2 4.1Å |
| 426 | K | 94.6 | Very high | 95.6 | Very high | 136 Ų | 136 | 94.4 Ų | 94.4 | 59% | 0.591 | 49% | 0.489 | S | S | * | . | trans | -145.2 | 103.3 | 179.4 | -68.6 | -172.6 | -179.9 | -173 | 0 | 109.3 | A424 G428 R429 | A424-K426 PolarHBondContact O-N 2.97Å; K426-G428 VanDerWaalsContact C-N 3.26Å; K426-G428 PolarHBondContact O-N 2.99Å; K426-R429 HydrophobicContact CB-CG 4.4Å; K426-R429 WeakPolarHBondContact O-CB 3.47Å; K426-R429 PolarHBondContact O-N 2.95Å | ||
| 427 | L | 93.3 | Very high | 95.8 | Very high | 25 Ų | 25 | 92.5 Ų | 92.5 | 13% | 0.131 | 47% | 0.473 | C | S | . | . | G | 310 helix | trans | -57.7 | -34.6 | -171.7 | -59.8 | -170.6 | 0 | 0 | 0 | 114 | R429 Y430 L435 L438 L450 E454 R458 | L427-R429 PolarHBondContact O-N 3.19Å; L427-Y430 HydrophobicContact CD2-CD2 3.73Å; L427-Y430 HydrophobicContact CD2-CE2 3.8Å; L427-Y430 WeakPolarHBondContact O-CB 3.27Å; L427-Y430 PolarHBondContact O-N 2.63Å; L427-L435 HydrophobicContact CB-CD2 4.03Å; L427-L435 HydrophobicContact CD2-CD2 4.39Å; L427-L438 HydrophobicContact CD2-CD1 3.67Å; L427-L450 HydrophobicContact CD1-CB 3.54Å; L427-L450 WeakPolarHBondContact CD1-O 3.49Å; L427-E454 HydrophobicContact CB-CB 4.3Å; L427-E454 HydrophobicContact CB-CG 4.17Å; L427-R458 PolarHBondContact O-NH2 2.66Å |
| 428 | G | 94.9 | Very high | 95.9 | Very high | 56 Ų | 56 | 86.6 Ų | 86.6 | 58% | 0.577 | 45% | 0.447 | S | S | * | . | G | 310 helix | trans | -60.3 | -12.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | K426 E454 | K426-G428 VanDerWaalsContact C-N 3.26Å; K426-G428 PolarHBondContact O-N 2.99Å; G428-E454 WeakPolarHBondContact CA-OE1 3.47Å |
| 429 | R | 96.3 | Very high | 96 | Very high | 176 Ų | 176 | 84.3 Ų | 84.3 | 66% | 0.664 | 43% | 0.433 | S | S | * | . | G | 310 helix | trans | -90.7 | -12 | 172.1 | -71.5 | -175.9 | 56.6 | -168.7 | -7.2 | 114.1 | K426 L427 | K426-R429 HydrophobicContact CB-CG 4.4Å; K426-R429 WeakPolarHBondContact O-CB 3.47Å; K426-R429 PolarHBondContact O-N 2.95Å; L427-R429 PolarHBondContact O-N 3.19Å |
| 430 | Y | 97 | Very high | 96.1 | Very high | 63 Ų | 63 | 78.4 Ų | 78.4 | 25% | 0.247 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -93.2 | 150.4 | -172.4 | -59.2 | -30.9 | 0 | 0 | 0 | 111.7 | I425 L427 L434 R458 | I425-Y430 WeakPolarHBondContact CA-OH 3.2Å; I425-Y430 HydrophobicContact CG2-CE2 4.1Å; L427-Y430 HydrophobicContact CD2-CD2 3.73Å; L427-Y430 HydrophobicContact CD2-CE2 3.8Å; L427-Y430 WeakPolarHBondContact O-CB 3.27Å; L427-Y430 PolarHBondContact O-N 2.63Å; Y430-L434 HydrophobicContact CD1-CD2 3.89Å; Y430-L434 HydrophobicContact CD2-CD2 3.87Å; Y430-L434 HydrophobicContact CD2-CG 4.39Å; Y430-L434 HydrophobicContact CE1-CD2 4.35Å; Y430-L434 HydrophobicContact CE2-CD2 4.34Å; Y430-L434 HydrophobicContact CG-CD2 3.64Å; Y430-L434 HydrophobicContact CG-CG 4.38Å; Y430-R458 VanDerWaalsContact O-CZ 3.29Å; Y430-R458 PolarHBondContact O-NH1 2.78Å; Y430-R458 PolarHBondContact O-NH2 2.83Å |
| 431 | G | 97.3 | Very high | 96.1 | Very high | 47 Ų | 47 | 73.2 Ų | 73.2 | 49% | 0.485 | 38% | 0.383 | S | S | . | . | trans | -71.5 | 163.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | D433 L434 L435 | G431-D433 VanDerWaalsContact C-N 3.27Å; G431-D433 PolarHBondContact O-N 3.23Å; G431-L434 PolarHBondContact O-N 3.05Å; G431-L435 PolarHBondContact O-N 2.7Å | ||
| 432 | E | 96.9 | Very high | 96 | Very high | 57 Ų | 57 | 65.1 Ų | 65.1 | 27% | 0.266 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -56 | -40.7 | 179.5 | -57 | -179.2 | 139.4 | 0 | 0 | 112.5 | L434 L435 F436 W460 K500 | E432-L434 PolarHBondContact O-N 2.82Å; E432-L435 CarbonylContact O-C 3.47Å; E432-L435 WeakPolarHBondContact O-CA 3.43Å; E432-L435 WeakPolarHBondContact O-CB 3.35Å; E432-L435 PolarHBondContact O-N 2.89Å; E432-F436 HydrophobicContact CB-CD2 4.35Å; E432-F436 HydrophobicContact CB-CE2 3.98Å; E432-F436 WeakPolarHBondContact O-CD2 3.47Å; E432-F436 PolarHBondContact O-N 3.1Å; E432-W460 PolarHBondContact OE1-NE1 3.17Å; E432-K500 IonicContact OE2-NZ 3.77Å; E432-K500 PolarHBondContact OE2-NZ 2.86Å |
| 433 | D | 97.8 | Very high | 95.9 | Very high | 96 Ų | 96 | 62.6 Ų | 62.6 | 51% | 0.513 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -52.2 | -50.2 | 177.7 | 176.7 | 79.2 | 0 | 0 | 0 | 112.8 | G431 L435 F436 Y437 W498 | G431-D433 VanDerWaalsContact C-N 3.27Å; G431-D433 PolarHBondContact O-N 3.23Å; D433-L435 VanDerWaalsContact C-N 3.31Å; D433-L435 PolarHBondContact O-N 3.16Å; D433-F436 PolarHBondContact O-N 3.2Å; D433-Y437 PolarHBondContact O-N 3.23Å; D433-W498 PolarHBondContact OD1-NE1 2.88Å |
| 434 | L | 97.5 | Very high | 95.6 | Very high | 65 Ų | 65 | 63.9 Ų | 63.9 | 34% | 0.34 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -69.1 | -29.2 | 177 | -178.9 | 55.8 | 0 | 0 | 0 | 112.1 | Y430 G431 E432 Y437 L438 | Y430-L434 HydrophobicContact CD1-CD2 3.89Å; Y430-L434 HydrophobicContact CD2-CD2 3.87Å; Y430-L434 HydrophobicContact CD2-CG 4.39Å; Y430-L434 HydrophobicContact CE1-CD2 4.35Å; Y430-L434 HydrophobicContact CE2-CD2 4.34Å; Y430-L434 HydrophobicContact CG-CD2 3.64Å; Y430-L434 HydrophobicContact CG-CG 4.38Å; G431-L434 PolarHBondContact O-N 3.05Å; E432-L434 PolarHBondContact O-N 2.82Å; L434-Y437 HydrophobicContact CD1-CD1 4.05Å; L434-L438 HydrophobicContact CD1-CG 4.28Å; L434-L438 HydrophobicContact CG-CD1 4.44Å; L434-L438 WeakPolarHBondContact O-CB 3.44Å; L434-L438 VanDerWaalsContact O-CG 3.24Å; L434-L438 WeakPolarHBondContact O-CG 3.33Å; L434-L438 PolarHBondContact O-N 2.92Å |
| 435 | L | 98 | Very high | 95.6 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -69.9 | -39.5 | 173.2 | -61.7 | 174 | 0 | 0 | 0 | 111.6 | L427 G431 E432 D433 L438 Y439 E454 L455 R458 | L427-L435 HydrophobicContact CB-CD2 4.03Å; L427-L435 HydrophobicContact CD2-CD2 4.39Å; G431-L435 PolarHBondContact O-N 2.7Å; E432-L435 CarbonylContact O-C 3.47Å; E432-L435 WeakPolarHBondContact O-CA 3.43Å; E432-L435 WeakPolarHBondContact O-CB 3.35Å; E432-L435 PolarHBondContact O-N 2.89Å; D433-L435 VanDerWaalsContact C-N 3.31Å; D433-L435 PolarHBondContact O-N 3.16Å; L435-L438 PolarHBondContact O-N 3.34Å; L435-Y439 VanDerWaalsContact O-CB 3.32Å; L435-Y439 WeakPolarHBondContact O-CB 3.38Å; L435-Y439 PolarHBondContact O-N 2.85Å; L435-E454 HydrophobicContact CD1-CB 4.17Å; L435-E454 HydrophobicContact CD1-CG 3.58Å; L435-E454 HydrophobicContact CD2-CB 4.21Å; L435-E454 HydrophobicContact CD2-CG 3.99Å; L435-E454 HydrophobicContact CG-CG 4.46Å; L435-L455 HydrophobicContact CB-CD1 4.43Å; L435-L455 HydrophobicContact CB-CD2 3.9Å; L435-L455 HydrophobicContact CB-CG 3.98Å; L435-L455 HydrophobicContact CD1-CD2 4.18Å; L435-L455 HydrophobicContact CD1-CG 4.39Å; L435-R458 VanDerWaalsContact CD1-CZ 3.49Å |
| 436 | F | 98.3 | Very high | 95.5 | Very high | 1 Ų | 1 | 61.2 Ų | 61.2 | 0% | 0.004 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.1 | -42.8 | 172.2 | -68.6 | -55.9 | 0 | 0 | 0 | 111.6 | E432 D433 L438 Y439 Y440 L455 W460 W469 F493 W498 | E432-F436 HydrophobicContact CB-CD2 4.35Å; E432-F436 HydrophobicContact CB-CE2 3.98Å; E432-F436 WeakPolarHBondContact O-CD2 3.47Å; E432-F436 PolarHBondContact O-N 3.1Å; D433-F436 PolarHBondContact O-N 3.2Å; F436-L438 PolarHBondContact O-N 2.88Å; F436-Y439 PolarHBondContact O-N 3.21Å; F436-Y440 HydrophobicContact CB-CD2 4.38Å; F436-Y440 HydrophobicContact CD1-CE2 4.27Å; F436-Y440 VanDerWaalsContact O-CD2 3.31Å; F436-Y440 WeakPolarHBondContact O-CD2 3.22Å; F436-Y440 PolarHBondContact O-N 3.45Å; F436-L455 HydrophobicContact CD1-CD1 3.83Å; F436-L455 HydrophobicContact CD1-CD2 4.21Å; F436-L455 HydrophobicContact CE1-CD1 3.76Å; F436-L455 HydrophobicContact CE1-CD2 3.73Å; F436-L455 HydrophobicContact CE1-CG 4.41Å; F436-L455 HydrophobicContact CE2-CD2 4.29Å; F436-L455 HydrophobicContact CZ-CD2 3.78Å; F436-W460 HydrophobicContact CE1-CE3 4.43Å; F436-W460 HydrophobicContact CE2-CH2 4.19Å; F436-W460 HydrophobicContact CE2-CZ2 4.01Å; F436-W460 AromaticContact CZ-CD2 3.81Å; F436-W460 HydrophobicContact CZ-CD2 3.81Å; F436-W460 AromaticContact CZ-CE2 3.74Å; F436-W460 AromaticContact CZ-CE3 3.86Å; F436-W460 HydrophobicContact CZ-CE3 3.86Å; F436-W460 AromaticContact CZ-CH2 3.75Å; F436-W460 HydrophobicContact CZ-CH2 3.75Å; F436-W460 AromaticContact CZ-CZ2 3.72Å; F436-W460 HydrophobicContact CZ-CZ2 3.72Å; F436-W460 AromaticContact CZ-CZ3 3.83Å; F436-W460 HydrophobicContact CZ-CZ3 3.83Å; F436-W469 HydrophobicContact CD1-CG 4.49Å; F436-W469 HydrophobicContact CE1-CB 3.7Å; F436-W469 AromaticContact CE1-CD1 3.95Å; F436-W469 AromaticContact CE1-CG 3.83Å; F436-W469 HydrophobicContact CE1-CG 3.83Å; F436-W469 HydrophobicContact CZ-CB 4.41Å; F436-F493 HydrophobicContact CB-CD1 4.1Å; F436-F493 HydrophobicContact CB-CE1 3.71Å; F436-F493 HydrophobicContact CB-CE2 4.3Å; F436-F493 HydrophobicContact CB-CZ 3.83Å; F436-F493 HydrophobicContact CD1-CB 4.2Å; F436-F493 AromaticContact CD1-CD1 3.93Å; F436-F493 HydrophobicContact CD1-CD1 3.93Å; F436-F493 HydrophobicContact CD1-CD2 4.45Å; F436-F493 HydrophobicContact CD1-CE1 4.42Å; F436-F493 AromaticContact CD1-CG 3.93Å; F436-F493 HydrophobicContact CD1-CG 3.93Å; F436-F493 HydrophobicContact CD2-CB 4.44Å; F436-F493 HydrophobicContact CD2-CD1 4.15Å; F436-F493 AromaticContact CD2-CD2 3.39Å; F436-F493 HydrophobicContact CD2-CD2 3.39Å; F436-F493 HydrophobicContact CD2-CE1 4.24Å; F436-F493 AromaticContact CD2-CE2 3.51Å; F436-F493 HydrophobicContact CD2-CE2 3.51Å; F436-F493 AromaticContact CD2-CG 3.73Å; F436-F493 HydrophobicContact CD2-CG 3.73Å; F436-F493 AromaticContact CD2-CZ 3.94Å; F436-F493 HydrophobicContact CD2-CZ 3.94Å; F436-F493 HydrophobicContact CE1-CB 3.82Å; F436-F493 HydrophobicContact CE1-CD1 4.42Å; F436-F493 HydrophobicContact CE1-CG 4.01Å; F436-F493 HydrophobicContact CE2-CB 4.06Å; F436-F493 AromaticContact CE2-CD2 3.47Å; F436-F493 HydrophobicContact CE2-CD2 3.47Å; F436-F493 VanDerWaalsContact CE2-CD2 3.47Å; F436-F493 HydrophobicContact CE2-CE2 4.04Å; F436-F493 AromaticContact CE2-CG 3.8Å; F436-F493 HydrophobicContact CE2-CG 3.8Å; F436-F493 AromaticContact CG-CD1 3.8Å; F436-F493 HydrophobicContact CG-CD1 3.8Å; F436-F493 AromaticContact CG-CD2 3.92Å; F436-F493 HydrophobicContact CG-CD2 3.92Å; F436-F493 AromaticContact CG-CE1 3.89Å; F436-F493 HydrophobicContact CG-CE1 3.89Å; F436-F493 HydrophobicContact CG-CE2 4.02Å; F436-F493 AromaticContact CG-CG 3.8Å; F436-F493 HydrophobicContact CG-CG 3.8Å; F436-F493 AromaticContact CG-CZ 4Å; F436-F493 HydrophobicContact CG-CZ 4Å; F436-F493 HydrophobicContact CZ-CB 3.74Å; F436-F493 HydrophobicContact CZ-CD2 4.07Å; F436-F493 AromaticContact CZ-CG 3.94Å; F436-F493 HydrophobicContact CZ-CG 3.94Å; F436-W498 HydrophobicContact CB-CH2 4.18Å; F436-W498 HydrophobicContact CB-CZ2 4.3Å |
| 437 | Y | 97.8 | Very high | 95.5 | Very high | 101 Ų | 101 | 57.2 Ų | 57.2 | 40% | 0.396 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -55.1 | -50.9 | 172.1 | 178.9 | -93.2 | 0 | 0 | 0 | 111.4 | D433 L434 Y439 M441 | D433-Y437 PolarHBondContact O-N 3.23Å; L434-Y437 HydrophobicContact CD1-CD1 4.05Å; Y437-Y439 VanDerWaalsContact C-N 3.34Å; Y437-Y439 PolarHBondContact O-N 3.06Å; Y437-M441 HydrophobicContact CD1-CG 4.42Å; Y437-M441 HydrophobicContact CD2-CG 3.83Å; Y437-M441 HydrophobicContact CE1-CG 4.22Å; Y437-M441 HydrophobicContact CE2-CG 3.61Å; Y437-M441 HydrophobicContact CE2-SD 4.34Å; Y437-M441 HydrophobicContact CG-CG 4.23Å; Y437-M441 WeakPolarHBondContact O-CB 3.41Å; Y437-M441 WeakPolarHBondContact O-CG 3.09Å; Y437-M441 PolarHBondContact O-N 2.99Å |
| 438 | L | 97.2 | Very high | 95.6 | Very high | 23 Ų | 23 | 58.1 Ų | 58.1 | 12% | 0.12 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.6 | -36.3 | 179.1 | -69.1 | 177 | 0 | 0 | 0 | 113 | L427 L434 L435 F436 N442 L447 A451 | L427-L438 HydrophobicContact CD2-CD1 3.67Å; L434-L438 HydrophobicContact CD1-CG 4.28Å; L434-L438 HydrophobicContact CG-CD1 4.44Å; L434-L438 WeakPolarHBondContact O-CB 3.44Å; L434-L438 VanDerWaalsContact O-CG 3.24Å; L434-L438 WeakPolarHBondContact O-CG 3.33Å; L434-L438 PolarHBondContact O-N 2.92Å; L435-L438 PolarHBondContact O-N 3.34Å; F436-L438 PolarHBondContact O-N 2.88Å; L438-N442 WeakPolarHBondContact O-CB 3.38Å; L438-N442 PolarHBondContact O-N 2.91Å; L438-N442 PolarHBondContact O-ND2 3.28Å; L438-L447 HydrophobicContact CD1-CD1 4.42Å; L438-L447 HydrophobicContact CD2-CD2 3.88Å; L438-L447 HydrophobicContact CD2-CG 4.24Å; L438-A451 HydrophobicContact CB-CB 3.99Å |
| 439 | Y | 97.4 | Very high | 95.7 | Very high | 23 Ų | 23 | 57.9 Ų | 57.9 | 9% | 0.09 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -68.1 | -48.2 | 177.6 | 176.7 | -92.1 | 0 | 0 | 0 | 112.6 | L435 F436 Y437 Q448 A452 Y462 W469 | L435-Y439 VanDerWaalsContact O-CB 3.32Å; L435-Y439 WeakPolarHBondContact O-CB 3.38Å; L435-Y439 PolarHBondContact O-N 2.85Å; F436-Y439 PolarHBondContact O-N 3.21Å; Y437-Y439 VanDerWaalsContact C-N 3.34Å; Y437-Y439 PolarHBondContact O-N 3.06Å; Y439-Q448 HydrophobicContact CD2-CG 3.7Å; Y439-Q448 HydrophobicContact CE2-CG 3.87Å; Y439-Q448 HydrophobicContact CG-CG 4.38Å; Y439-Q448 WeakPolarHBondContact O-CG 3.24Å; Y439-Q448 PolarHBondContact O-NE2 3.04Å; Y439-A452 HydrophobicContact CD2-CB 3.95Å; Y439-A452 HydrophobicContact CE2-CB 4Å; Y439-Y462 HydrophobicContact CE1-CE2 4.26Å; Y439-Y462 VanDerWaalsContact OH-CE2 3.24Å; Y439-Y462 WeakPolarHBondContact OH-CE2 3.39Å; Y439-W469 AromaticContact CD1-CD1 3.95Å; Y439-W469 AromaticContact CD1-NE1 3.28Å; Y439-W469 VanDerWaalsContact CD1-NE1 3.28Å; Y439-W469 AromaticContact CD2-CZ2 3.87Å; Y439-W469 HydrophobicContact CD2-CZ2 3.87Å; Y439-W469 AromaticContact CD2-NE1 3.66Å; Y439-W469 AromaticContact CE1-CD1 3.86Å; Y439-W469 AromaticContact CE1-NE1 3.15Å; Y439-W469 AromaticContact CE2-CE2 3.89Å; Y439-W469 AromaticContact CE2-CZ2 3.63Å; Y439-W469 HydrophobicContact CE2-CZ2 3.63Å; Y439-W469 AromaticContact CE2-NE1 3.55Å; Y439-W469 AromaticContact CG-NE1 3.55Å; Y439-W469 AromaticContact CZ-CE2 3.98Å; Y439-W469 AromaticContact CZ-NE1 3.3Å; Y439-W469 VanDerWaalsContact CZ-NE1 3.3Å |
| 440 | Y | 96.8 | Very high | 95.6 | Very high | 64 Ų | 64 | 52.8 Ų | 52.8 | 25% | 0.251 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -79 | -30.1 | -176.1 | -75.9 | -71.3 | 0 | 0 | 0 | 113.2 | F436 F493 C495 | F436-Y440 HydrophobicContact CB-CD2 4.38Å; F436-Y440 HydrophobicContact CD1-CE2 4.27Å; F436-Y440 VanDerWaalsContact O-CD2 3.31Å; F436-Y440 WeakPolarHBondContact O-CD2 3.22Å; F436-Y440 PolarHBondContact O-N 3.45Å; Y440-F493 HydrophobicContact CD2-CE1 4.47Å; Y440-F493 AromaticContact CE2-CD1 3.86Å; Y440-F493 HydrophobicContact CE2-CD1 3.86Å; Y440-F493 HydrophobicContact CE2-CE1 4.19Å; Y440-C495 HydrophobicContact CD1-CB 4.27Å; Y440-C495 HydrophobicContact CD2-CB 4.05Å; Y440-C495 HydrophobicContact CE1-CB 4.03Å; Y440-C495 HydrophobicContact CE2-CB 3.82Å; Y440-C495 HydrophobicContact CG-CB 4.3Å |
| 441 | M | 95.5 | Very high | 95.6 | Very high | 53 Ų | 53 | 49.8 Ų | 49.8 | 26% | 0.261 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -83.1 | -25.3 | -178.8 | -64.4 | -62.2 | -68.3 | 0 | 0 | 114.1 | R400 P401 Q402 Y437 | R400-M441 WeakPolarHBondContact CD-O 3.4Å; P401-M441 HydrophobicContact CG-CE 4.28Å; Q402-M441 PolarHBondContact NE2-O 3.25Å; Y437-M441 HydrophobicContact CD1-CG 4.42Å; Y437-M441 HydrophobicContact CD2-CG 3.83Å; Y437-M441 HydrophobicContact CE1-CG 4.22Å; Y437-M441 HydrophobicContact CE2-CG 3.61Å; Y437-M441 HydrophobicContact CE2-SD 4.34Å; Y437-M441 HydrophobicContact CG-CG 4.23Å; Y437-M441 WeakPolarHBondContact O-CB 3.41Å; Y437-M441 WeakPolarHBondContact O-CG 3.09Å; Y437-M441 PolarHBondContact O-N 2.99Å |
| 442 | N | 94.1 | Very high | 95.7 | Very high | 14 Ų | 14 | 47.8 Ų | 47.8 | 8% | 0.075 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -107.2 | 46.2 | -172.8 | -55.7 | -70.7 | 0 | 0 | 0 | 112.6 | Q402 L438 G444 D445 L447 Q448 | Q402-N442 PolarHBondContact NE2-OD1 3.3Å; L438-N442 WeakPolarHBondContact O-CB 3.38Å; L438-N442 PolarHBondContact O-N 2.91Å; L438-N442 PolarHBondContact O-ND2 3.28Å; N442-G444 PolarHBondContact O-N 3.46Å; N442-D445 HydrophobicContact CB-CB 3.85Å; N442-D445 WeakPolarHBondContact O-CB 3.37Å; N442-D445 PolarHBondContact O-N 2.97Å; N442-L447 HydrophobicContact CB-CB 4.25Å; N442-Q448 HydrophobicContact CB-CB 4.38Å; N442-Q448 WeakPolarHBondContact O-CB 3.34Å |
| 443 | G | 91.9 | Very high | 95.7 | Very high | 51 Ų | 51 | 46.1 Ų | 46.1 | 53% | 0.526 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | 125.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | D445 | G443-D445 VanDerWaalsContact C-N 3.29Å; G443-D445 PolarHBondContact O-N 2.78Å |
| 444 | G | 89.4 | Confident | 95.7 | Very high | 83 Ų | 83 | 43.2 Ų | 43.2 | 86% | 0.856 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.1 | 6.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | N442 Q448 | N442-G444 PolarHBondContact O-N 3.46Å; G444-Q448 VanDerWaalsContact N-OE1 3.09Å |
| 445 | D | 91.3 | Very high | 95.7 | Very high | 68 Ų | 68 | 40.1 Ų | 40.1 | 36% | 0.364 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -100.9 | 153.8 | 179.9 | -159.2 | -62.5 | 0 | 0 | 0 | 112 | N442 G443 L447 Q448 L449 | N442-D445 HydrophobicContact CB-CB 3.85Å; N442-D445 WeakPolarHBondContact O-CB 3.37Å; N442-D445 PolarHBondContact O-N 2.97Å; G443-D445 VanDerWaalsContact C-N 3.29Å; G443-D445 PolarHBondContact O-N 2.78Å; D445-L447 PolarHBondContact O-N 2.84Å; D445-L447 PolarHBondContact OD1-N 2.73Å; D445-Q448 PolarHBondContact O-N 3.4Å; D445-Q448 VanDerWaalsContact O-N 3.16Å; D445-L449 PolarHBondContact O-N 2.83Å |
| 446 | V | 93 | Very high | 95.7 | Very high | 83 Ų | 83 | 41.7 Ų | 41.7 | 50% | 0.503 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -55.8 | -32.6 | 168.2 | -180 | 0 | 0 | 0 | 0 | 111.1 | Q448 L449 L450 | V446-Q448 VanDerWaalsContact C-N 3.34Å; V446-Q448 PolarHBondContact O-N 2.8Å; V446-L449 PolarHBondContact O-N 3.01Å; V446-L450 HydrophobicContact CG1-CD1 3.96Å; V446-L450 HydrophobicContact CG1-CG 4.11Å; V446-L450 WeakPolarHBondContact O-CG 3.44Å; V446-L450 PolarHBondContact O-N 3.3Å |
| 447 | L | 94 | Very high | 95.6 | Very high | 53 Ų | 53 | 45.6 Ų | 45.6 | 28% | 0.277 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -66.2 | -32.7 | 179.6 | -168.2 | 54.2 | 0 | 0 | 0 | 113.2 | L438 N442 D445 A451 | L438-L447 HydrophobicContact CD1-CD1 4.42Å; L438-L447 HydrophobicContact CD2-CD2 3.88Å; L438-L447 HydrophobicContact CD2-CG 4.24Å; N442-L447 HydrophobicContact CB-CB 4.25Å; D445-L447 PolarHBondContact O-N 2.84Å; D445-L447 PolarHBondContact OD1-N 2.73Å; L447-A451 WeakPolarHBondContact O-CB 3.49Å; L447-A451 PolarHBondContact O-N 3.36Å |
| 448 | Q | 95.8 | Very high | 95.5 | Very high | 43 Ų | 43 | 43.9 Ų | 43.9 | 20% | 0.201 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66 | -44 | 171.2 | 164.1 | 177.6 | 71.3 | 0 | 0 | 111 | Y439 N442 G444 D445 V446 A451 A452 | Y439-Q448 HydrophobicContact CD2-CG 3.7Å; Y439-Q448 HydrophobicContact CE2-CG 3.87Å; Y439-Q448 HydrophobicContact CG-CG 4.38Å; Y439-Q448 WeakPolarHBondContact O-CG 3.24Å; Y439-Q448 PolarHBondContact O-NE2 3.04Å; N442-Q448 HydrophobicContact CB-CB 4.38Å; N442-Q448 WeakPolarHBondContact O-CB 3.34Å; G444-Q448 VanDerWaalsContact N-OE1 3.09Å; D445-Q448 PolarHBondContact O-N 3.4Å; D445-Q448 VanDerWaalsContact O-N 3.16Å; V446-Q448 VanDerWaalsContact C-N 3.34Å; V446-Q448 PolarHBondContact O-N 2.8Å; Q448-A451 PolarHBondContact O-N 3.16Å; Q448-A452 WeakPolarHBondContact O-CB 3.34Å; Q448-A452 PolarHBondContact O-N 3.16Å |
| 449 | L | 95.6 | Very high | 95.5 | Very high | 52 Ų | 52 | 47.9 Ų | 47.9 | 27% | 0.272 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65 | -41 | 177.1 | -67.6 | 170.1 | 0 | 0 | 0 | 112.1 | D445 V446 A451 A452 V453 L518 P519 | D445-L449 PolarHBondContact O-N 2.83Å; V446-L449 PolarHBondContact O-N 3.01Å; L449-A451 VanDerWaalsContact C-N 3.35Å; L449-A451 PolarHBondContact O-N 3.46Å; L449-A452 WeakPolarHBondContact O-CB 3.35Å; L449-A452 PolarHBondContact O-N 3.22Å; L449-V453 WeakPolarHBondContact O-CG2 3.17Å; L449-V453 PolarHBondContact O-N 2.89Å; L449-L518 HydrophobicContact CB-CD2 3.79Å; L449-P519 VanDerWaalsContact CD1-CD 3.46Å; L449-P519 HydrophobicContact CD1-CG 4.12Å |
| 450 | L | 95.8 | Very high | 95.5 | Very high | 69 Ų | 69 | 46.8 Ų | 46.8 | 36% | 0.361 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64 | -39.8 | 175.8 | -69.9 | 172.1 | 0 | 0 | 0 | 111.7 | L427 V446 E454 L518 | L427-L450 HydrophobicContact CD1-CB 3.54Å; L427-L450 WeakPolarHBondContact CD1-O 3.49Å; V446-L450 HydrophobicContact CG1-CD1 3.96Å; V446-L450 HydrophobicContact CG1-CG 4.11Å; V446-L450 WeakPolarHBondContact O-CG 3.44Å; V446-L450 PolarHBondContact O-N 3.3Å; L450-E454 PolarHBondContact O-N 3.34Å; L450-E454 VanDerWaalsContact O-N 3.15Å; L450-L518 HydrophobicContact CD2-CD1 4.02Å; L450-L518 HydrophobicContact CD2-CD2 3.91Å; L450-L518 HydrophobicContact CG-CD2 4.26Å |
| 451 | A | 97.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.6 | -41.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L438 L447 Q448 L449 E454 L455 | L438-A451 HydrophobicContact CB-CB 3.99Å; L447-A451 WeakPolarHBondContact O-CB 3.49Å; L447-A451 PolarHBondContact O-N 3.36Å; Q448-A451 PolarHBondContact O-N 3.16Å; L449-A451 VanDerWaalsContact C-N 3.35Å; L449-A451 PolarHBondContact O-N 3.46Å; A451-E454 PolarHBondContact O-N 2.87Å; A451-L455 WeakPolarHBondContact O-CG 3.19Å; A451-L455 PolarHBondContact O-N 3.22Å |
| 452 | A | 97.8 | Very high | 95.7 | Very high | 5 Ų | 5 | 45.8 Ų | 45.8 | 4% | 0.041 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.2 | -42.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y439 Q448 L449 E454 L455 F456 W469 P516 | Y439-A452 HydrophobicContact CD2-CB 3.95Å; Y439-A452 HydrophobicContact CE2-CB 4Å; Q448-A452 WeakPolarHBondContact O-CB 3.34Å; Q448-A452 PolarHBondContact O-N 3.16Å; L449-A452 WeakPolarHBondContact O-CB 3.35Å; L449-A452 PolarHBondContact O-N 3.22Å; A452-E454 VanDerWaalsContact C-N 3.32Å; A452-E454 PolarHBondContact O-N 2.84Å; A452-L455 PolarHBondContact O-N 3.44Å; A452-F456 WeakPolarHBondContact O-CB 3.33Å; A452-F456 PolarHBondContact O-N 3.47Å; A452-W469 HydrophobicContact CB-CH2 3.82Å; A452-W469 HydrophobicContact CB-CZ2 3.62Å; A452-W469 WeakPolarHBondContact O-CH2 3.42Å; A452-P516 HydrophobicContact CB-CB 4.13Å; A452-P516 HydrophobicContact CB-CG 3.72Å |
| 453 | V | 97.3 | Very high | 95.8 | Very high | 21 Ų | 21 | 45.7 Ų | 45.7 | 13% | 0.127 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.8 | -42.2 | 174.1 | 170.8 | 0 | 0 | 0 | 0 | 110.9 | L449 F456 N457 P516 | L449-V453 WeakPolarHBondContact O-CG2 3.17Å; L449-V453 PolarHBondContact O-N 2.89Å; V453-F456 WeakPolarHBondContact O-CB 3.19Å; V453-F456 PolarHBondContact O-N 3.33Å; V453-N457 PolarHBondContact O-N 3.2Å; V453-N457 PolarHBondContact O-ND2 3.2Å; V453-N457 PolarHBondContact O-OD1 3.45Å; V453-P516 HydrophobicContact CG2-CB 3.96Å; V453-P516 HydrophobicContact CG2-CG 4.47Å |
| 454 | E | 97.3 | Very high | 96 | Very high | 35 Ų | 35 | 48.1 Ų | 48.1 | 16% | 0.164 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -73.4 | -34.1 | -179.2 | -175.7 | 57.9 | -163.6 | 0 | 0 | 113 | L427 G428 L435 L450 A451 A452 N457 R458 | L427-E454 HydrophobicContact CB-CB 4.3Å; L427-E454 HydrophobicContact CB-CG 4.17Å; G428-E454 WeakPolarHBondContact CA-OE1 3.47Å; L435-E454 HydrophobicContact CD1-CB 4.17Å; L435-E454 HydrophobicContact CD1-CG 3.58Å; L435-E454 HydrophobicContact CD2-CB 4.21Å; L435-E454 HydrophobicContact CD2-CG 3.99Å; L435-E454 HydrophobicContact CG-CG 4.46Å; L450-E454 PolarHBondContact O-N 3.34Å; L450-E454 VanDerWaalsContact O-N 3.15Å; A451-E454 PolarHBondContact O-N 2.87Å; A452-E454 VanDerWaalsContact C-N 3.32Å; A452-E454 PolarHBondContact O-N 2.84Å; E454-N457 PolarHBondContact O-N 3.45Å; E454-N457 PolarHBondContact OE2-ND2 3.16Å; E454-N457 VanDerWaalsContact OE2-ND2 3.1Å; E454-R458 WeakPolarHBondContact O-CG 3.24Å; E454-R458 PolarHBondContact O-N 3.43Å; E454-R458 IonicContact OE1-CZ 2.79Å; E454-R458 VanDerWaalsContact OE1-CZ 3.24Å; E454-R458 IonicContact OE1-NE 3.38Å; E454-R458 PolarHBondContact OE1-NE 3.49Å; E454-R458 IonicContact OE1-NH2 2.99Å; E454-R458 PolarHBondContact OE1-NH2 3.26Å |
| 455 | L | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.5 | -43.7 | 167.6 | -73.7 | 169.9 | 0 | 0 | 0 | 110.8 | L435 F436 A451 A452 N457 R458 W460 W469 | L435-L455 HydrophobicContact CB-CD1 4.43Å; L435-L455 HydrophobicContact CB-CD2 3.9Å; L435-L455 HydrophobicContact CB-CG 3.98Å; L435-L455 HydrophobicContact CD1-CD2 4.18Å; L435-L455 HydrophobicContact CD1-CG 4.39Å; F436-L455 HydrophobicContact CD1-CD1 3.83Å; F436-L455 HydrophobicContact CD1-CD2 4.21Å; F436-L455 HydrophobicContact CE1-CD1 3.76Å; F436-L455 HydrophobicContact CE1-CD2 3.73Å; F436-L455 HydrophobicContact CE1-CG 4.41Å; F436-L455 HydrophobicContact CE2-CD2 4.29Å; F436-L455 HydrophobicContact CZ-CD2 3.78Å; A451-L455 WeakPolarHBondContact O-CG 3.19Å; A451-L455 PolarHBondContact O-N 3.22Å; A452-L455 PolarHBondContact O-N 3.44Å; L455-N457 VanDerWaalsContact C-N 3.34Å; L455-N457 PolarHBondContact O-N 3.42Å; L455-R458 CarbonylContact O-C 3.44Å; L455-R458 WeakPolarHBondContact O-CA 3.47Å; L455-R458 PolarHBondContact O-N 3.34Å; L455-W460 HydrophobicContact CB-CB 4.09Å; L455-W460 HydrophobicContact CD2-CG 4.28Å; L455-W460 WeakPolarHBondContact O-CB 3.26Å; L455-W460 PolarHBondContact O-N 3.42Å; L455-W460 VanDerWaalsContact O-N 3.16Å; L455-W469 HydrophobicContact CB-CE3 4.25Å; L455-W469 HydrophobicContact CB-CH2 4.06Å; L455-W469 HydrophobicContact CB-CZ2 4.38Å; L455-W469 HydrophobicContact CB-CZ3 3.98Å; L455-W469 HydrophobicContact CD1-CD2 4.04Å; L455-W469 HydrophobicContact CD1-CG 4.41Å; L455-W469 HydrophobicContact CD1-CH2 4.5Å; L455-W469 HydrophobicContact CD1-CZ2 3.99Å |
| 456 | F | 97.5 | Very high | 96.6 | Very high | 34 Ų | 34 | 51.5 Ų | 51.5 | 15% | 0.149 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.1 | -40 | 177 | -167.5 | -80.3 | 0 | 0 | 0 | 112.7 | A452 V453 R458 D459 W460 R461 R515 | A452-F456 WeakPolarHBondContact O-CB 3.33Å; A452-F456 PolarHBondContact O-N 3.47Å; V453-F456 WeakPolarHBondContact O-CB 3.19Å; V453-F456 PolarHBondContact O-N 3.33Å; F456-R458 PolarHBondContact O-N 3.05Å; F456-D459 PolarHBondContact O-N 2.86Å; F456-W460 WeakPolarHBondContact CA-O 3.47Å; F456-R461 VanDerWaalsContact CE2-CD 3.43Å; F456-R461 PolarHBondContact O-NH1 3.01Å; F456-R515 HydrophobicContact CD1-CB 4.25Å; F456-R515 HydrophobicContact CD1-CG 4.12Å; F456-R515 HydrophobicContact CE1-CB 3.89Å; F456-R515 HydrophobicContact CE1-CG 4.18Å; F456-R515 HydrophobicContact CE2-CB 4.3Å; F456-R515 HydrophobicContact CZ-CB 3.91Å |
| 457 | N | 96.9 | Very high | 96.7 | Very high | 83 Ų | 83 | 56.2 Ų | 56.2 | 44% | 0.444 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -17.5 | 173.1 | -65.2 | -25.1 | 0 | 0 | 0 | 113.4 | V453 E454 L455 | V453-N457 PolarHBondContact O-N 3.2Å; V453-N457 PolarHBondContact O-ND2 3.2Å; V453-N457 PolarHBondContact O-OD1 3.45Å; E454-N457 PolarHBondContact O-N 3.45Å; E454-N457 PolarHBondContact OE2-ND2 3.16Å; E454-N457 VanDerWaalsContact OE2-ND2 3.1Å; L455-N457 VanDerWaalsContact C-N 3.34Å; L455-N457 PolarHBondContact O-N 3.42Å |
| 458 | R | 96.8 | Very high | 96.9 | Very high | 64 Ų | 64 | 54.7 Ų | 54.7 | 24% | 0.242 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | 28.3 | -179.4 | -62.4 | 171.1 | -171.5 | -157.5 | 5.4 | 112.3 | L427 Y430 L435 E454 L455 F456 W460 | L427-R458 PolarHBondContact O-NH2 2.66Å; Y430-R458 VanDerWaalsContact O-CZ 3.29Å; Y430-R458 PolarHBondContact O-NH1 2.78Å; Y430-R458 PolarHBondContact O-NH2 2.83Å; L435-R458 VanDerWaalsContact CD1-CZ 3.49Å; E454-R458 WeakPolarHBondContact O-CG 3.24Å; E454-R458 PolarHBondContact O-N 3.43Å; E454-R458 IonicContact OE1-CZ 2.79Å; E454-R458 VanDerWaalsContact OE1-CZ 3.24Å; E454-R458 IonicContact OE1-NE 3.38Å; E454-R458 PolarHBondContact OE1-NE 3.49Å; E454-R458 IonicContact OE1-NH2 2.99Å; E454-R458 PolarHBondContact OE1-NH2 3.26Å; L455-R458 CarbonylContact O-C 3.44Å; L455-R458 WeakPolarHBondContact O-CA 3.47Å; L455-R458 PolarHBondContact O-N 3.34Å; F456-R458 PolarHBondContact O-N 3.05Å; R458-W460 PolarHBondContact O-N 2.93Å; R458-W460 VanDerWaalsContact O-N 3.16Å |
| 459 | D | 96.1 | Very high | 97 | Very high | 107 Ų | 107 | 52.8 Ų | 52.8 | 57% | 0.572 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 24.4 | 178.7 | -65.8 | -49.1 | 0 | 0 | 0 | 115.9 | F456 R461 T471 | F456-D459 PolarHBondContact O-N 2.86Å; D459-R461 IonicContact OD1-NH2 3.7Å; D459-R461 PolarHBondContact OD1-NH2 3.4Å; D459-T471 WeakPolarHBondContact O-CB 3.43Å; D459-T471 PolarHBondContact O-OG1 3.17Å |
| 460 | W | 97.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -84.4 | 140.9 | 162.2 | -65.9 | 85.1 | 0 | 0 | 0 | 110.6 | E432 F436 L455 F456 R458 W469 I470 T471 F493 K500 | E432-W460 PolarHBondContact OE1-NE1 3.17Å; F436-W460 HydrophobicContact CE1-CE3 4.43Å; F436-W460 HydrophobicContact CE2-CH2 4.19Å; F436-W460 HydrophobicContact CE2-CZ2 4.01Å; F436-W460 AromaticContact CZ-CD2 3.81Å; F436-W460 HydrophobicContact CZ-CD2 3.81Å; F436-W460 AromaticContact CZ-CE2 3.74Å; F436-W460 AromaticContact CZ-CE3 3.86Å; F436-W460 HydrophobicContact CZ-CE3 3.86Å; F436-W460 AromaticContact CZ-CH2 3.75Å; F436-W460 HydrophobicContact CZ-CH2 3.75Å; F436-W460 AromaticContact CZ-CZ2 3.72Å; F436-W460 HydrophobicContact CZ-CZ2 3.72Å; F436-W460 AromaticContact CZ-CZ3 3.83Å; F436-W460 HydrophobicContact CZ-CZ3 3.83Å; L455-W460 HydrophobicContact CB-CB 4.09Å; L455-W460 HydrophobicContact CD2-CG 4.28Å; L455-W460 WeakPolarHBondContact O-CB 3.26Å; L455-W460 PolarHBondContact O-N 3.42Å; L455-W460 VanDerWaalsContact O-N 3.16Å; F456-W460 WeakPolarHBondContact CA-O 3.47Å; R458-W460 PolarHBondContact O-N 2.93Å; R458-W460 VanDerWaalsContact O-N 3.16Å; W460-W469 HydrophobicContact CB-CE3 3.71Å; W460-W469 HydrophobicContact CB-CZ3 4.16Å; W460-W469 HydrophobicContact CE3-CB 3.85Å; W460-W469 HydrophobicContact CZ3-CB 4.35Å; W460-I470 CarbonylContact C-O 3.38Å; W460-I470 WeakPolarHBondContact CA-O 3.35Å; W460-T471 HydrophobicContact CD2-CG2 3.83Å; W460-T471 HydrophobicContact CE3-CG2 3.85Å; W460-T471 HydrophobicContact CH2-CG2 3.66Å; W460-T471 HydrophobicContact CZ2-CG2 3.6Å; W460-T471 HydrophobicContact CZ3-CG2 3.78Å; W460-F493 HydrophobicContact CH2-CB 4.48Å; W460-F493 HydrophobicContact CZ3-CB 4.28Å; W460-K500 HydrophobicContact CH2-CD 3.52Å; W460-K500 HydrophobicContact CH2-CG 4.04Å; W460-K500 HydrophobicContact CZ2-CD 3.58Å | ||
| 461 | R | 97.4 | Very high | 97.2 | Very high | 66 Ų | 66 | 48.4 Ų | 48.4 | 25% | 0.249 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 135.6 | 174.2 | -59.2 | -64.6 | 174.5 | -93.4 | -5.7 | 108.3 | F456 D459 I470 L512 | F456-R461 VanDerWaalsContact CE2-CD 3.43Å; F456-R461 PolarHBondContact O-NH1 3.01Å; D459-R461 IonicContact OD1-NH2 3.7Å; D459-R461 PolarHBondContact OD1-NH2 3.4Å; R461-I470 PolarHBondContact N-O 3.24Å; R461-I470 PolarHBondContact O-N 2.85Å; R461-L512 HydrophobicContact CB-CD1 4.32Å; R461-L512 HydrophobicContact CB-CD2 4.35Å |
| 462 | Y | 97.9 | Very high | 97 | Very high | 30 Ų | 30 | 54.1 Ų | 54.1 | 12% | 0.118 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 134.6 | 176.7 | -171.6 | -107.5 | 0 | 0 | 0 | 109.3 | Y439 R467 W469 L512 E513 | Y439-Y462 HydrophobicContact CE1-CE2 4.26Å; Y439-Y462 VanDerWaalsContact OH-CE2 3.24Å; Y439-Y462 WeakPolarHBondContact OH-CE2 3.39Å; Y462-R467 VanDerWaalsContact CE2-C 3.45Å; Y462-R467 WeakPolarHBondContact CE2-O 3.5Å; Y462-R467 VanDerWaalsContact OH-CA 3.27Å; Y462-R467 WeakPolarHBondContact OH-CA 3.09Å; Y462-R467 WeakPolarHBondContact OH-CB 3.2Å; Y462-R467 PolarHBondContact OH-O 3.11Å; Y462-W469 AromaticContact CD2-CD1 3.87Å; Y462-W469 AromaticContact CD2-CD2 3.99Å; Y462-W469 HydrophobicContact CD2-CD2 3.99Å; Y462-W469 AromaticContact CD2-CE2 3.87Å; Y462-W469 HydrophobicContact CD2-CG 4.02Å; Y462-W469 HydrophobicContact CD2-CZ2 4.48Å; Y462-W469 AromaticContact CD2-NE1 3.77Å; Y462-L512 CarbonylContact O-C 3.52Å; Y462-L512 WeakPolarHBondContact O-CA 3.49Å; Y462-E513 HydrophobicContact CD1-CB 4.48Å; Y462-E513 VanDerWaalsContact CD1-OE2 3.26Å; Y462-E513 WeakPolarHBondContact CD1-OE2 3.41Å; Y462-E513 PolarHBondContact O-N 3.42Å |
| 463 | H | 97.5 | Very high | 96.6 | Very high | 13 Ų | 13 | 54.2 Ų | 54.2 | 6% | 0.06 | 24% | 0.244 | C | C | . | . | B | Isolated β-bridge | trans | -97.2 | 117.2 | 176.5 | -168.6 | -60.8 | 0 | 0 | 0 | 109.3 | E465 E466 R467 V468 I470 L512 | H463-E465 VanDerWaalsContact C-N 3.34Å; H463-E465 PolarHBondContact ND1-N 3.36Å; H463-E465 PolarHBondContact O-N 2.94Å; H463-E466 HydrophobicContact CB-CB 4.27Å; H463-E466 PolarHBondContact ND1-N 3.26Å; H463-R467 VanDerWaalsContact O-CA 3.24Å; H463-R467 WeakPolarHBondContact O-CA 3.35Å; H463-R467 PolarHBondContact O-N 3.39Å; H463-V468 PolarHBondContact N-O 2.9Å; H463-I470 HydrophobicContact CB-CD1 3.82Å; H463-I470 HydrophobicContact CB-CG1 4.48Å; H463-L512 HydrophobicContact CB-CD2 4.21Å |
| 464 | K | 96.5 | Very high | 96.3 | Very high | 102 Ų | 102 | 58.9 Ų | 58.9 | 44% | 0.443 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -38 | -169.7 | -66.6 | 178.3 | -67.8 | -168.8 | 0 | 113.2 | R467 D510 K511 L512 E513 | K464-R467 WeakPolarHBondContact O-CG 3.25Å; K464-D510 WeakPolarHBondContact CE-O 3.4Å; K464-D510 PolarHBondContact NZ-O 3.15Å; K464-K511 WeakPolarHBondContact CB-O 3.46Å; K464-K511 WeakPolarHBondContact CE-O 3.43Å; K464-K511 WeakPolarHBondContact CG-O 3.09Å; K464-K511 PolarHBondContact N-O 3.46Å; K464-L512 WeakPolarHBondContact CE-O 3.41Å; K464-E513 HydrophobicContact CG-CB 4.19Å |
| 465 | E | 96.2 | Very high | 95.8 | Very high | 122 Ų | 122 | 61.2 Ų | 61.2 | 57% | 0.57 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -49.7 | -177 | -62.4 | 176.6 | 162.9 | 0 | 0 | 113.9 | H463 R467 K511 | H463-E465 VanDerWaalsContact C-N 3.34Å; H463-E465 PolarHBondContact ND1-N 3.36Å; H463-E465 PolarHBondContact O-N 2.94Å; E465-R467 PolarHBondContact O-N 3.41Å; E465-K511 HydrophobicContact CG-CD 4.42Å; E465-K511 WeakPolarHBondContact OE1-CE 3.48Å; E465-K511 IonicContact OE1-NZ 3.8Å; E465-K511 PolarHBondContact OE1-NZ 3.15Å; E465-K511 WeakPolarHBondContact OE2-CD 3.47Å; E465-K511 WeakPolarHBondContact OE2-CE 3.31Å; E465-K511 IonicContact OE2-NZ 3.28Å |
| 466 | E | 95.4 | Very high | 95.4 | Very high | 100 Ų | 100 | 66 Ų | 66 | 47% | 0.467 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -15.4 | 172.6 | -63.7 | -90.1 | 121.8 | 0 | 0 | 113.3 | H463 V468 K503 | H463-E466 HydrophobicContact CB-CB 4.27Å; H463-E466 PolarHBondContact ND1-N 3.26Å; E466-V468 VanDerWaalsContact C-N 3.28Å; E466-V468 HydrophobicContact CB-CG2 3.87Å; E466-V468 PolarHBondContact O-N 2.72Å; E466-K503 IonicContact OE2-NZ 3.14Å; E466-K503 PolarHBondContact OE2-NZ 3.01Å; E466-K503 VanDerWaalsContact OE2-NZ 3.11Å |
| 467 | R | 96.6 | Very high | 95 | Very high | 181 Ų | 181 | 72.7 Ų | 72.7 | 68% | 0.683 | 36% | 0.363 | S | S | * | . | trans | 58.4 | 30.3 | 177.3 | -57.2 | 179 | 90.4 | 175.2 | 7.5 | 115.1 | Y462 H463 K464 E465 | Y462-R467 VanDerWaalsContact CE2-C 3.45Å; Y462-R467 WeakPolarHBondContact CE2-O 3.5Å; Y462-R467 VanDerWaalsContact OH-CA 3.27Å; Y462-R467 WeakPolarHBondContact OH-CA 3.09Å; Y462-R467 WeakPolarHBondContact OH-CB 3.2Å; Y462-R467 PolarHBondContact OH-O 3.11Å; H463-R467 VanDerWaalsContact O-CA 3.24Å; H463-R467 WeakPolarHBondContact O-CA 3.35Å; H463-R467 PolarHBondContact O-N 3.39Å; K464-R467 WeakPolarHBondContact O-CG 3.25Å; E465-R467 PolarHBondContact O-N 3.41Å | ||
| 468 | V | 97.4 | Very high | 94.6 | Very high | 21 Ų | 21 | 70.2 Ų | 70.2 | 13% | 0.127 | 35% | 0.351 | C | S | . | . | trans | -122.5 | 153.6 | -179.6 | -67.8 | 0 | 0 | 0 | 0 | 112.6 | H463 E466 I470 F492 | H463-V468 PolarHBondContact N-O 2.9Å; E466-V468 VanDerWaalsContact C-N 3.28Å; E466-V468 HydrophobicContact CB-CG2 3.87Å; E466-V468 PolarHBondContact O-N 2.72Å; V468-I470 HydrophobicContact CG2-CD1 4.15Å; V468-I470 HydrophobicContact CG2-CG1 3.95Å; V468-F492 HydrophobicContact CB-CD2 4.3Å; V468-F492 HydrophobicContact CG1-CD2 4.17Å; V468-F492 HydrophobicContact CG2-CB 4.32Å; V468-F492 HydrophobicContact CG2-CD2 4.41Å | ||
| 469 | W | 98.3 | Very high | 94.3 | Very high | 3 Ų | 3 | 72.6 Ų | 72.6 | 1% | 0.011 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 130.9 | 167.4 | -74.1 | 99 | 0 | 0 | 0 | 110.7 | F436 Y439 A452 L455 W460 Y462 F492 F493 | F436-W469 HydrophobicContact CD1-CG 4.49Å; F436-W469 HydrophobicContact CE1-CB 3.7Å; F436-W469 AromaticContact CE1-CD1 3.95Å; F436-W469 AromaticContact CE1-CG 3.83Å; F436-W469 HydrophobicContact CE1-CG 3.83Å; F436-W469 HydrophobicContact CZ-CB 4.41Å; Y439-W469 AromaticContact CD1-CD1 3.95Å; Y439-W469 AromaticContact CD1-NE1 3.28Å; Y439-W469 VanDerWaalsContact CD1-NE1 3.28Å; Y439-W469 AromaticContact CD2-CZ2 3.87Å; Y439-W469 HydrophobicContact CD2-CZ2 3.87Å; Y439-W469 AromaticContact CD2-NE1 3.66Å; Y439-W469 AromaticContact CE1-CD1 3.86Å; Y439-W469 AromaticContact CE1-NE1 3.15Å; Y439-W469 AromaticContact CE2-CE2 3.89Å; Y439-W469 AromaticContact CE2-CZ2 3.63Å; Y439-W469 HydrophobicContact CE2-CZ2 3.63Å; Y439-W469 AromaticContact CE2-NE1 3.55Å; Y439-W469 AromaticContact CG-NE1 3.55Å; Y439-W469 AromaticContact CZ-CE2 3.98Å; Y439-W469 AromaticContact CZ-NE1 3.3Å; Y439-W469 VanDerWaalsContact CZ-NE1 3.3Å; A452-W469 HydrophobicContact CB-CH2 3.82Å; A452-W469 HydrophobicContact CB-CZ2 3.62Å; A452-W469 WeakPolarHBondContact O-CH2 3.42Å; L455-W469 HydrophobicContact CB-CE3 4.25Å; L455-W469 HydrophobicContact CB-CH2 4.06Å; L455-W469 HydrophobicContact CB-CZ2 4.38Å; L455-W469 HydrophobicContact CB-CZ3 3.98Å; L455-W469 HydrophobicContact CD1-CD2 4.04Å; L455-W469 HydrophobicContact CD1-CG 4.41Å; L455-W469 HydrophobicContact CD1-CH2 4.5Å; L455-W469 HydrophobicContact CD1-CZ2 3.99Å; W460-W469 HydrophobicContact CB-CE3 3.71Å; W460-W469 HydrophobicContact CB-CZ3 4.16Å; W460-W469 HydrophobicContact CE3-CB 3.85Å; W460-W469 HydrophobicContact CZ3-CB 4.35Å; Y462-W469 AromaticContact CD2-CD1 3.87Å; Y462-W469 AromaticContact CD2-CD2 3.99Å; Y462-W469 HydrophobicContact CD2-CD2 3.99Å; Y462-W469 AromaticContact CD2-CE2 3.87Å; Y462-W469 HydrophobicContact CD2-CG 4.02Å; Y462-W469 HydrophobicContact CD2-CZ2 4.48Å; Y462-W469 AromaticContact CD2-NE1 3.77Å; W469-F492 CarbonylContact O-C 3.58Å; W469-F492 WeakPolarHBondContact O-CA 3.21Å; W469-F492 WeakPolarHBondContact O-CB 3.46Å; W469-F493 PolarHBondContact O-N 2.85Å |
| 470 | I | 97.8 | Very high | 94.1 | Very high | 4 Ų | 4 | 71.8 Ų | 71.8 | 2% | 0.021 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 140.2 | -176.8 | -51.3 | -178.9 | 0 | 0 | 0 | 109.5 | W460 R461 H463 V468 Y490 Y491 F492 F505 L507 | W460-I470 CarbonylContact C-O 3.38Å; W460-I470 WeakPolarHBondContact CA-O 3.35Å; R461-I470 PolarHBondContact N-O 3.24Å; R461-I470 PolarHBondContact O-N 2.85Å; H463-I470 HydrophobicContact CB-CD1 3.82Å; H463-I470 HydrophobicContact CB-CG1 4.48Å; V468-I470 HydrophobicContact CG2-CD1 4.15Å; V468-I470 HydrophobicContact CG2-CG1 3.95Å; I470-Y490 HydrophobicContact CG2-CD1 4.04Å; I470-Y490 HydrophobicContact CG2-CG 3.95Å; I470-Y491 CarbonylContact C-O 3.57Å; I470-Y491 WeakPolarHBondContact CA-O 3.18Å; I470-F492 HydrophobicContact CG1-CB 4.11Å; I470-F505 HydrophobicContact CD1-CD1 3.92Å; I470-F505 HydrophobicContact CD1-CE1 3.7Å; I470-F505 HydrophobicContact CD1-CE2 4.42Å; I470-F505 HydrophobicContact CD1-CG 4.38Å; I470-F505 HydrophobicContact CD1-CZ 3.95Å; I470-F505 HydrophobicContact CG1-CZ 4.4Å; I470-F505 HydrophobicContact CG2-CE2 4.45Å; I470-L507 HydrophobicContact CD1-CD2 3.76Å; I470-L507 HydrophobicContact CG2-CD1 4.34Å |
| 471 | T | 96.8 | Very high | 94 | Very high | 25 Ų | 25 | 78.3 Ų | 78.3 | 15% | 0.153 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 157.4 | 169.7 | -167.8 | 0 | 0 | 0 | 0 | 111.1 | D459 W460 Y490 Y491 | D459-T471 WeakPolarHBondContact O-CB 3.43Å; D459-T471 PolarHBondContact O-OG1 3.17Å; W460-T471 HydrophobicContact CD2-CG2 3.83Å; W460-T471 HydrophobicContact CE3-CG2 3.85Å; W460-T471 HydrophobicContact CH2-CG2 3.66Å; W460-T471 HydrophobicContact CZ2-CG2 3.6Å; W460-T471 HydrophobicContact CZ3-CG2 3.78Å; T471-Y490 WeakPolarHBondContact O-CA 3.38Å; T471-Y490 WeakPolarHBondContact O-CB 3.15Å; T471-Y491 PolarHBondContact N-O 2.67Å; T471-Y491 PolarHBondContact O-N 3.4Å |
| 472 | R | 93.4 | Very high | 93.9 | Very high | 120 Ų | 120 | 77.4 Ų | 77.4 | 45% | 0.453 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 137.7 | 179 | -75.4 | -179.3 | -178.2 | 158.7 | 7 | 110.4 | E486 Y490 | R472-E486 IonicContact CZ-OE1 3.6Å; R472-E486 IonicContact CZ-OE2 2.66Å; R472-E486 IonicContact NE-OE1 3.57Å; R472-E486 PolarHBondContact NE-OE1 3.5Å; R472-E486 IonicContact NH2-OE1 3.22Å; R472-E486 PolarHBondContact NH2-OE1 3.01Å; R472-E486 IonicContact NH2-OE2 2.72Å; R472-E486 PolarHBondContact NH2-OE2 2.87Å; R472-Y490 HydrophobicContact CB-CD1 4.41Å; R472-Y490 HydrophobicContact CG-CD1 3.79Å; R472-Y490 HydrophobicContact CG-CE1 3.47Å; R472-Y490 VanDerWaalsContact CG-CE1 3.47Å |
| 473 | A | 90.8 | Very high | 93.7 | Very high | 8 Ų | 8 | 83.7 Ų | 83.7 | 7% | 0.066 | 43% | 0.433 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 128.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | G475 M476 Y491 | A473-G475 PolarHBondContact O-N 2.95Å; A473-M476 HydrophobicContact CB-CB 3.93Å; A473-M476 HydrophobicContact CB-CG 3.75Å; A473-M476 WeakPolarHBondContact O-CB 3.36Å; A473-M476 PolarHBondContact O-N 3.43Å; A473-Y491 HydrophobicContact CB-CD2 3.85Å; A473-Y491 HydrophobicContact CB-CE2 3.69Å |
| 474 | P | 89.8 | Confident | 93.6 | Very high | 118 Ų | 118 | 87.7 Ų | 87.7 | 77% | 0.766 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | 126.9 | -177.6 | -27.3 | 36.2 | 0 | 0 | 0 | 112 | M476 | P474-M476 VanDerWaalsContact C-N 3.28Å; P474-M476 PolarHBondContact O-N 3.41Å |
| 475 | G | 87.1 | Confident | 93.6 | Very high | 84 Ų | 84 | 85.7 Ų | 85.7 | 87% | 0.866 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.9 | 0.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | A473 | A473-G475 PolarHBondContact O-N 2.95Š|
| 476 | M | 89.1 | Confident | 93.6 | Very high | 100 Ų | 100 | 80.2 Ų | 80.2 | 49% | 0.493 | 42% | 0.423 | S | S | . | . | trans | -100.6 | 113.7 | 173.9 | -61.6 | -64.2 | -65.5 | 0 | 0 | 110.1 | A473 P474 | A473-M476 HydrophobicContact CB-CB 3.93Å; A473-M476 HydrophobicContact CB-CG 3.75Å; A473-M476 WeakPolarHBondContact O-CB 3.36Å; A473-M476 PolarHBondContact O-N 3.43Å; P474-M476 VanDerWaalsContact C-N 3.28Å; P474-M476 PolarHBondContact O-N 3.41Å | ||
| 477 | E | 88.8 | Confident | 93.6 | Very high | 175 Ų | 175 | 80.6 Ų | 80.6 | 82% | 0.818 | 42% | 0.42 | S | S | * | . | trans | -81.1 | 149 | 170.3 | -62.1 | -166.2 | 153.7 | 0 | 0 | 110.9 | T479 | E477-T479 PolarHBondContact O-N 3.46Š| ||
| 478 | P | 89.4 | Confident | 93.5 | Very high | 31 Ų | 31 | 72 Ų | 72 | 20% | 0.201 | 39% | 0.388 | C | S | . | . | trans | -62.3 | 126 | 173.6 | -20.7 | 32.8 | 0 | 0 | 0 | 111.4 | M480 E486 R487 | P478-M480 PolarHBondContact O-N 2.95Å; P478-E486 HydrophobicContact CB-CB 4.16Å; P478-E486 HydrophobicContact CG-CB 4.48Å; P478-R487 CarbonylContact C-O 3.39Å; P478-R487 WeakPolarHBondContact CA-O 3.35Å | ||
| 479 | T | 90.8 | Very high | 93.4 | Very high | 115 Ų | 115 | 73.6 Ų | 73.6 | 71% | 0.706 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -54.2 | -34.7 | 175.9 | -42.8 | 0 | 0 | 0 | 0 | 112.6 | E477 R487 | E477-T479 PolarHBondContact O-N 3.46Å; T479-R487 PolarHBondContact N-O 3.44Å |
| 480 | M | 92.3 | Very high | 93.3 | Very high | 89 Ų | 89 | 73.7 Ų | 73.7 | 44% | 0.438 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 137.4 | 173 | -61.7 | 176.5 | 67.2 | 0 | 0 | 109.4 | P478 E486 R487 | P478-M480 PolarHBondContact O-N 2.95Å; M480-E486 CarbonylContact O-C 3.53Å; M480-E486 VanDerWaalsContact O-CA 3.32Å; M480-E486 WeakPolarHBondContact O-CA 3.47Å; M480-R487 HydrophobicContact CB-CB 4.33Å; M480-R487 PolarHBondContact N-O 2.84Å; M480-R487 VanDerWaalsContact N-O 3.08Å; M480-R487 PolarHBondContact O-N 3.32Å |
| 481 | K | 94 | Very high | 93.3 | Very high | 137 Ų | 137 | 77.7 Ų | 77.7 | 60% | 0.596 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 130.1 | 172.5 | -172.5 | 175.3 | -175.8 | -171.6 | 0 | 109.8 | E486 Y509 | K481-E486 HydrophobicContact CB-CB 4.47Å; K481-E486 HydrophobicContact CG-CB 4.27Å; K481-Y509 WeakPolarHBondContact CE-OH 3.42Å |
| 482 | T | 95.1 | Very high | 93.3 | Very high | 47 Ų | 47 | 77.9 Ų | 77.9 | 29% | 0.288 | 41% | 0.413 | S | S | . | . | trans | -126.4 | -174.6 | 177.1 | 70.6 | 0 | 0 | 0 | 0 | 109.5 | T484 Y485 | T482-T484 VanDerWaalsContact C-N 3.31Å; T482-T484 PolarHBondContact OG1-N 3.24Å; T482-Y485 HydrophobicContact CG2-CD1 4.28Å; T482-Y485 HydrophobicContact CG2-CE1 3.71Å; T482-Y485 HydrophobicContact CG2-CE2 4.03Å; T482-Y485 PolarHBondContact N-O 2.87Å; T482-Y485 VanDerWaalsContact OG1-CD1 3.23Å; T482-Y485 WeakPolarHBondContact OG1-CD1 3.32Å; T482-Y485 WeakPolarHBondContact OG1-CE1 3.08Å; T482-Y485 PolarHBondContact OG1-N 3.15Å; T482-Y485 PolarHBondContact OG1-O 3.32Å | ||
| 483 | N | 94.6 | Very high | 93.5 | Very high | 163 Ų | 163 | 72.5 Ų | 72.5 | 87% | 0.872 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -76 | -17.9 | 174.8 | -65.4 | -23 | 0 | 0 | 0 | 113.2 | ||
| 484 | T | 95.9 | Very high | 93.9 | Very high | 97 Ų | 97 | 73.1 Ų | 73.1 | 60% | 0.595 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -115.3 | -26.3 | -173.5 | 51.7 | 0 | 0 | 0 | 0 | 113.7 | T482 Y509 | T482-T484 VanDerWaalsContact C-N 3.31Å; T482-T484 PolarHBondContact OG1-N 3.24Å; T484-Y509 VanDerWaalsContact C-CD2 3.44Å; T484-Y509 WeakPolarHBondContact O-CD2 3.16Å; T484-Y509 PolarHBondContact O-N 3.38Å |
| 485 | Y | 95.6 | Very high | 94.2 | Very high | 59 Ų | 59 | 69.8 Ų | 69.8 | 23% | 0.231 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 160.1 | 178 | 72.5 | -93.7 | 0 | 0 | 0 | 113 | T482 H506 L507 | T482-Y485 HydrophobicContact CG2-CD1 4.28Å; T482-Y485 HydrophobicContact CG2-CE1 3.71Å; T482-Y485 HydrophobicContact CG2-CE2 4.03Å; T482-Y485 PolarHBondContact N-O 2.87Å; T482-Y485 VanDerWaalsContact OG1-CD1 3.23Å; T482-Y485 WeakPolarHBondContact OG1-CD1 3.32Å; T482-Y485 WeakPolarHBondContact OG1-CE1 3.08Å; T482-Y485 PolarHBondContact OG1-N 3.15Å; T482-Y485 PolarHBondContact OG1-O 3.32Å; Y485-H506 AromaticContact CD2-CE1 3.23Å; Y485-H506 WeakPolarHBondContact CD2-CE1 3.33Å; Y485-H506 AromaticContact CD2-ND1 3.67Å; Y485-H506 AromaticContact CE2-CE1 3.58Å; Y485-H506 AromaticContact CG-CE1 3.49Å; Y485-H506 VanDerWaalsContact CG-CE1 3.49Å; Y485-H506 AromaticContact CG-NE2 3.96Å; Y485-L507 CarbonylContact C-O 3.57Å; Y485-L507 WeakPolarHBondContact CA-O 3.4Å; Y485-L507 WeakPolarHBondContact CB-O 3.49Å |
| 486 | E | 95.7 | Very high | 94.6 | Very high | 7 Ų | 7 | 73.4 Ų | 73.4 | 3% | 0.033 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 152.9 | 162.5 | 55.7 | -176.1 | -120.5 | 0 | 0 | 111.9 | R472 P478 M480 K481 Y490 L507 Y509 | R472-E486 IonicContact CZ-OE1 3.6Å; R472-E486 IonicContact CZ-OE2 2.66Å; R472-E486 IonicContact NE-OE1 3.57Å; R472-E486 PolarHBondContact NE-OE1 3.5Å; R472-E486 IonicContact NH2-OE1 3.22Å; R472-E486 PolarHBondContact NH2-OE1 3.01Å; R472-E486 IonicContact NH2-OE2 2.72Å; R472-E486 PolarHBondContact NH2-OE2 2.87Å; P478-E486 HydrophobicContact CB-CB 4.16Å; P478-E486 HydrophobicContact CG-CB 4.48Å; M480-E486 CarbonylContact O-C 3.53Å; M480-E486 VanDerWaalsContact O-CA 3.32Å; M480-E486 WeakPolarHBondContact O-CA 3.47Å; K481-E486 HydrophobicContact CB-CB 4.47Å; K481-E486 HydrophobicContact CG-CB 4.27Å; E486-Y490 WeakPolarHBondContact CG-OH 3.46Å; E486-Y490 WeakPolarHBondContact OE1-CE1 3.4Å; E486-Y490 PolarHBondContact OE1-OH 2.9Å; E486-L507 HydrophobicContact CG-CB 4.21Å; E486-L507 PolarHBondContact N-O 2.88Å; E486-L507 PolarHBondContact O-N 3.23Å; E486-Y509 HydrophobicContact CB-CE1 4.43Å; E486-Y509 HydrophobicContact CG-CE1 3.68Å; E486-Y509 WeakPolarHBondContact OE2-CE1 3.42Å; E486-Y509 PolarHBondContact OE2-OH 3.28Å |
| 487 | R | 95.5 | Very high | 95 | Very high | 109 Ų | 109 | 73 Ų | 73 | 41% | 0.411 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 133.9 | 177.4 | -178 | 179.9 | 171.3 | 166.5 | 0.6 | 109.7 | P478 T479 M480 E504 F505 | P478-R487 CarbonylContact C-O 3.39Å; P478-R487 WeakPolarHBondContact CA-O 3.35Å; T479-R487 PolarHBondContact N-O 3.44Å; M480-R487 HydrophobicContact CB-CB 4.33Å; M480-R487 PolarHBondContact N-O 2.84Å; M480-R487 VanDerWaalsContact N-O 3.08Å; M480-R487 PolarHBondContact O-N 3.32Å; R487-E504 IonicContact CZ-OE1 2.7Å; R487-E504 IonicContact NE-OE1 2.7Å; R487-E504 PolarHBondContact NE-OE1 3.3Å; R487-E504 IonicContact NH2-OE1 3.71Å; R487-E504 PolarHBondContact NH2-OE1 3.32Å; R487-E504 IonicContact NH2-OE2 3.78Å; R487-F505 VanDerWaalsContact CA-O 3.32Å; R487-F505 WeakPolarHBondContact CA-O 3.46Å |
| 488 | G | 94.6 | Very high | 95.4 | Very high | 1 Ų | 1 | 69.5 Ų | 69.5 | 1% | 0.01 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 173.5 | -169.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y490 E504 F505 | G488-Y490 VanDerWaalsContact C-CE2 3.47Å; G488-Y490 VanDerWaalsContact O-CD2 3.22Å; G488-Y490 WeakPolarHBondContact O-CD2 3.47Å; G488-Y490 WeakPolarHBondContact O-CE2 3.45Å; G488-E504 WeakPolarHBondContact O-CA 3.24Å; G488-F505 PolarHBondContact N-O 2.8Å; G488-F505 PolarHBondContact O-N 3.17Å |
| 489 | T | 95.4 | Very high | 95.8 | Very high | 54 Ų | 54 | 74.3 Ų | 74.3 | 33% | 0.331 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 124.4 | 177.3 | -55.9 | 0 | 0 | 0 | 0 | 110.8 | A502 | T489-A502 HydrophobicContact CG2-CB 4.38Å |
| 490 | Y | 96.6 | Very high | 96.1 | Very high | 5 Ų | 5 | 73.8 Ų | 73.8 | 2% | 0.02 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 158.6 | -179 | -59.9 | -101.8 | 0 | 0 | 0 | 110.1 | I470 T471 R472 E486 G488 A502 K503 F505 L507 | I470-Y490 HydrophobicContact CG2-CD1 4.04Å; I470-Y490 HydrophobicContact CG2-CG 3.95Å; T471-Y490 WeakPolarHBondContact O-CA 3.38Å; T471-Y490 WeakPolarHBondContact O-CB 3.15Å; R472-Y490 HydrophobicContact CB-CD1 4.41Å; R472-Y490 HydrophobicContact CG-CD1 3.79Å; R472-Y490 HydrophobicContact CG-CE1 3.47Å; R472-Y490 VanDerWaalsContact CG-CE1 3.47Å; E486-Y490 WeakPolarHBondContact CG-OH 3.46Å; E486-Y490 WeakPolarHBondContact OE1-CE1 3.4Å; E486-Y490 PolarHBondContact OE1-OH 2.9Å; G488-Y490 VanDerWaalsContact C-CE2 3.47Å; G488-Y490 VanDerWaalsContact O-CD2 3.22Å; G488-Y490 WeakPolarHBondContact O-CD2 3.47Å; G488-Y490 WeakPolarHBondContact O-CE2 3.45Å; Y490-A502 WeakPolarHBondContact O-CA 3.33Å; Y490-K503 PolarHBondContact N-O 3.28Å; Y490-K503 PolarHBondContact O-N 3.18Å; Y490-F505 HydrophobicContact CD2-CB 3.92Å; Y490-F505 HydrophobicContact CD2-CD2 4.21Å; Y490-F505 HydrophobicContact CE2-CB 4.4Å; Y490-F505 HydrophobicContact CG-CD2 4.43Å; Y490-L507 HydrophobicContact CD1-CD1 3.72Å; Y490-L507 HydrophobicContact CD2-CD1 4.03Å; Y490-L507 HydrophobicContact CE1-CD1 3.4Å; Y490-L507 HydrophobicContact CE2-CD1 3.77Å; Y490-L507 HydrophobicContact CE2-CG 4.23Å; Y490-L507 HydrophobicContact CG-CD1 4.05Å; Y490-L507 VanDerWaalsContact CZ-CD1 3.48Å |
| 491 | Y | 97.2 | Very high | 96.3 | Very high | 87 Ų | 87 | 71.3 Ų | 71.3 | 34% | 0.341 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 131.4 | 161.7 | -74.4 | -67.7 | 0 | 0 | 0 | 109.2 | I470 T471 A473 K500 V501 A502 | I470-Y491 CarbonylContact C-O 3.57Å; I470-Y491 WeakPolarHBondContact CA-O 3.18Å; T471-Y491 PolarHBondContact N-O 2.67Å; T471-Y491 PolarHBondContact O-N 3.4Å; A473-Y491 HydrophobicContact CB-CD2 3.85Å; A473-Y491 HydrophobicContact CB-CE2 3.69Å; Y491-K500 HydrophobicContact CD1-CB 4.26Å; Y491-V501 WeakPolarHBondContact CA-O 3.39Å; Y491-A502 HydrophobicContact CD1-CB 4.12Å; Y491-A502 HydrophobicContact CE1-CB 3.79Å |
| 492 | F | 97.6 | Very high | 96.4 | Very high | 30 Ų | 30 | 67.5 Ų | 67.5 | 13% | 0.132 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 154.8 | 160.8 | 77.7 | -82 | 0 | 0 | 0 | 110.3 | V468 W469 I470 D494 K500 V501 K503 F505 | V468-F492 HydrophobicContact CB-CD2 4.3Å; V468-F492 HydrophobicContact CG1-CD2 4.17Å; V468-F492 HydrophobicContact CG2-CB 4.32Å; V468-F492 HydrophobicContact CG2-CD2 4.41Å; W469-F492 CarbonylContact O-C 3.58Å; W469-F492 WeakPolarHBondContact O-CA 3.21Å; W469-F492 WeakPolarHBondContact O-CB 3.46Å; I470-F492 HydrophobicContact CG1-CB 4.11Å; F492-D494 HydrophobicContact CD2-CB 4.5Å; F492-D494 HydrophobicContact CE2-CB 3.85Å; F492-D494 HydrophobicContact CZ-CB 4.41Å; F492-K500 WeakPolarHBondContact O-CA 3.42Å; F492-V501 HydrophobicContact CD1-CB 4.05Å; F492-V501 HydrophobicContact CD1-CG1 4.46Å; F492-V501 WeakPolarHBondContact CD1-O 3.38Å; F492-V501 HydrophobicContact CE1-CB 3.52Å; F492-V501 HydrophobicContact CE1-CG1 3.63Å; F492-V501 HydrophobicContact CE1-CG2 4.48Å; F492-V501 HydrophobicContact CZ-CB 3.81Å; F492-V501 HydrophobicContact CZ-CG1 4.04Å; F492-V501 HydrophobicContact CZ-CG2 4.3Å; F492-V501 PolarHBondContact N-O 2.95Å; F492-V501 PolarHBondContact O-N 3.3Å; F492-K503 HydrophobicContact CD1-CB 3.95Å; F492-K503 HydrophobicContact CD1-CD 4.33Å; F492-K503 HydrophobicContact CE1-CB 3.82Å; F492-K503 HydrophobicContact CE1-CD 3.91Å; F492-K503 HydrophobicContact CE1-CG 4.49Å; F492-F505 HydrophobicContact CB-CE2 4.08Å; F492-F505 HydrophobicContact CB-CZ 3.82Å; F492-F505 AromaticContact CD1-CE2 3.81Å; F492-F505 HydrophobicContact CD1-CE2 3.81Å; F492-F505 AromaticContact CD1-CZ 3.65Å; F492-F505 HydrophobicContact CD1-CZ 3.65Å; F492-F505 HydrophobicContact CE1-CZ 4.44Å; F492-F505 HydrophobicContact CG-CE2 4.29Å; F492-F505 AromaticContact CG-CZ 3.88Å; F492-F505 HydrophobicContact CG-CZ 3.88Å |
| 493 | F | 98.3 | Very high | 96.5 | Very high | 7 Ų | 7 | 69.4 Ų | 69.4 | 3% | 0.031 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 114 | 172.1 | -170.2 | -96.1 | 0 | 0 | 0 | 110.1 | F436 Y440 W460 W469 C495 W498 K500 | F436-F493 HydrophobicContact CB-CD1 4.1Å; F436-F493 HydrophobicContact CB-CE1 3.71Å; F436-F493 HydrophobicContact CB-CE2 4.3Å; F436-F493 HydrophobicContact CB-CZ 3.83Å; F436-F493 HydrophobicContact CD1-CB 4.2Å; F436-F493 AromaticContact CD1-CD1 3.93Å; F436-F493 HydrophobicContact CD1-CD1 3.93Å; F436-F493 HydrophobicContact CD1-CD2 4.45Å; F436-F493 HydrophobicContact CD1-CE1 4.42Å; F436-F493 AromaticContact CD1-CG 3.93Å; F436-F493 HydrophobicContact CD1-CG 3.93Å; F436-F493 HydrophobicContact CD2-CB 4.44Å; F436-F493 HydrophobicContact CD2-CD1 4.15Å; F436-F493 AromaticContact CD2-CD2 3.39Å; F436-F493 HydrophobicContact CD2-CD2 3.39Å; F436-F493 HydrophobicContact CD2-CE1 4.24Å; F436-F493 AromaticContact CD2-CE2 3.51Å; F436-F493 HydrophobicContact CD2-CE2 3.51Å; F436-F493 AromaticContact CD2-CG 3.73Å; F436-F493 HydrophobicContact CD2-CG 3.73Å; F436-F493 AromaticContact CD2-CZ 3.94Å; F436-F493 HydrophobicContact CD2-CZ 3.94Å; F436-F493 HydrophobicContact CE1-CB 3.82Å; F436-F493 HydrophobicContact CE1-CD1 4.42Å; F436-F493 HydrophobicContact CE1-CG 4.01Å; F436-F493 HydrophobicContact CE2-CB 4.06Å; F436-F493 AromaticContact CE2-CD2 3.47Å; F436-F493 HydrophobicContact CE2-CD2 3.47Å; F436-F493 VanDerWaalsContact CE2-CD2 3.47Å; F436-F493 HydrophobicContact CE2-CE2 4.04Å; F436-F493 AromaticContact CE2-CG 3.8Å; F436-F493 HydrophobicContact CE2-CG 3.8Å; F436-F493 AromaticContact CG-CD1 3.8Å; F436-F493 HydrophobicContact CG-CD1 3.8Å; F436-F493 AromaticContact CG-CD2 3.92Å; F436-F493 HydrophobicContact CG-CD2 3.92Å; F436-F493 AromaticContact CG-CE1 3.89Å; F436-F493 HydrophobicContact CG-CE1 3.89Å; F436-F493 HydrophobicContact CG-CE2 4.02Å; F436-F493 AromaticContact CG-CG 3.8Å; F436-F493 HydrophobicContact CG-CG 3.8Å; F436-F493 AromaticContact CG-CZ 4Å; F436-F493 HydrophobicContact CG-CZ 4Å; F436-F493 HydrophobicContact CZ-CB 3.74Å; F436-F493 HydrophobicContact CZ-CD2 4.07Å; F436-F493 AromaticContact CZ-CG 3.94Å; F436-F493 HydrophobicContact CZ-CG 3.94Å; Y440-F493 HydrophobicContact CD2-CE1 4.47Å; Y440-F493 AromaticContact CE2-CD1 3.86Å; Y440-F493 HydrophobicContact CE2-CD1 3.86Å; Y440-F493 HydrophobicContact CE2-CE1 4.19Å; W460-F493 HydrophobicContact CH2-CB 4.48Å; W460-F493 HydrophobicContact CZ3-CB 4.28Å; W469-F493 PolarHBondContact O-N 2.85Å; F493-C495 HydrophobicContact CD1-CB 4.3Å; F493-C495 HydrophobicContact CE1-CB 4.2Å; F493-C495 PolarHBondContact O-N 3.27Å; F493-W498 HydrophobicContact CE1-CD2 4.27Å; F493-W498 HydrophobicContact CE1-CE3 4.01Å; F493-W498 HydrophobicContact CE1-CH2 4.1Å; F493-W498 HydrophobicContact CE1-CZ2 4.37Å; F493-W498 AromaticContact CE1-CZ3 3.93Å; F493-W498 HydrophobicContact CE1-CZ3 3.93Å; F493-W498 AromaticContact CZ-CD2 3.78Å; F493-W498 HydrophobicContact CZ-CD2 3.78Å; F493-W498 AromaticContact CZ-CE2 3.74Å; F493-W498 HydrophobicContact CZ-CE3 4.01Å; F493-W498 HydrophobicContact CZ-CG 4.24Å; F493-W498 HydrophobicContact CZ-CH2 4.12Å; F493-W498 AromaticContact CZ-CZ2 3.92Å; F493-W498 HydrophobicContact CZ-CZ2 3.92Å; F493-W498 HydrophobicContact CZ-CZ3 4.18Å; F493-K500 HydrophobicContact CD2-CG 4.07Å |
| 494 | D | 97.6 | Very high | 96.5 | Very high | 21 Ų | 21 | 66.5 Ų | 66.5 | 11% | 0.112 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 101.9 | 173.5 | 177.5 | -11.9 | 0 | 0 | 0 | 108.1 | F492 L496 N497 W498 R499 V501 | F492-D494 HydrophobicContact CD2-CB 4.5Å; F492-D494 HydrophobicContact CE2-CB 3.85Å; F492-D494 HydrophobicContact CZ-CB 4.41Å; D494-L496 VanDerWaalsContact C-N 3.3Å; D494-L496 PolarHBondContact OD1-N 3.29Å; D494-L496 VanDerWaalsContact OD1-N 3.1Å; D494-N497 PolarHBondContact OD1-N 3.31Å; D494-N497 PolarHBondContact OD1-ND2 2.93Å; D494-N497 WeakPolarHBondContact OD2-CB 3.41Å; D494-N497 PolarHBondContact OD2-ND2 3.38Å; D494-W498 VanDerWaalsContact O-CA 3.25Å; D494-W498 WeakPolarHBondContact O-CA 3.39Å; D494-W498 PolarHBondContact O-N 2.76Å; D494-R499 HydrophobicContact CB-CG 4.27Å; D494-R499 WeakPolarHBondContact CB-O 3.37Å; D494-R499 PolarHBondContact N-O 3.02Å; D494-R499 PolarHBondContact O-N 2.92Å; D494-R499 IonicContact OD2-NE 2.78Å; D494-R499 IonicContact OD2-NH2 2.72Å; D494-V501 HydrophobicContact CB-CG2 3.8Å |
| 495 | C | 96.8 | Very high | 96.5 | Very high | 48 Ų | 48 | 62.4 Ų | 62.4 | 32% | 0.324 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -18.5 | -178.9 | 59.9 | 0 | 0 | 0 | 0 | 113.6 | Y440 F493 | Y440-C495 HydrophobicContact CD1-CB 4.27Å; Y440-C495 HydrophobicContact CD2-CB 4.05Å; Y440-C495 HydrophobicContact CE1-CB 4.03Å; Y440-C495 HydrophobicContact CE2-CB 3.82Å; Y440-C495 HydrophobicContact CG-CB 4.3Å; F493-C495 HydrophobicContact CD1-CB 4.3Å; F493-C495 HydrophobicContact CE1-CB 4.2Å; F493-C495 PolarHBondContact O-N 3.27Å |
| 496 | L | 96.3 | Very high | 96.5 | Very high | 159 Ų | 159 | 64 Ų | 64 | 83% | 0.832 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -40.9 | 177.8 | -60.2 | 176.9 | 0 | 0 | 0 | 111.1 | D494 | D494-L496 VanDerWaalsContact C-N 3.3Å; D494-L496 PolarHBondContact OD1-N 3.29Å; D494-L496 VanDerWaalsContact OD1-N 3.1Å |
| 497 | N | 97.2 | Very high | 96.5 | Very high | 92 Ų | 92 | 63.9 Ų | 63.9 | 49% | 0.492 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | 7.4 | 176.5 | -61.6 | -79.6 | 0 | 0 | 0 | 113.6 | D494 R499 | D494-N497 PolarHBondContact OD1-N 3.31Å; D494-N497 PolarHBondContact OD1-ND2 2.93Å; D494-N497 WeakPolarHBondContact OD2-CB 3.41Å; D494-N497 PolarHBondContact OD2-ND2 3.38Å; N497-R499 HydrophobicContact CB-CG 4Å; N497-R499 PolarHBondContact ND2-NH2 3.1Å; N497-R499 PolarHBondContact O-N 2.76Å |
| 498 | W | 97.5 | Very high | 96.5 | Very high | 102 Ų | 102 | 62.6 Ų | 62.6 | 39% | 0.386 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45 | 52.5 | -179.1 | -153.7 | -96.7 | 0 | 0 | 0 | 115 | D433 F436 F493 D494 | D433-W498 PolarHBondContact OD1-NE1 2.88Å; F436-W498 HydrophobicContact CB-CH2 4.18Å; F436-W498 HydrophobicContact CB-CZ2 4.3Å; F493-W498 HydrophobicContact CE1-CD2 4.27Å; F493-W498 HydrophobicContact CE1-CE3 4.01Å; F493-W498 HydrophobicContact CE1-CH2 4.1Å; F493-W498 HydrophobicContact CE1-CZ2 4.37Å; F493-W498 AromaticContact CE1-CZ3 3.93Å; F493-W498 HydrophobicContact CE1-CZ3 3.93Å; F493-W498 AromaticContact CZ-CD2 3.78Å; F493-W498 HydrophobicContact CZ-CD2 3.78Å; F493-W498 AromaticContact CZ-CE2 3.74Å; F493-W498 HydrophobicContact CZ-CE3 4.01Å; F493-W498 HydrophobicContact CZ-CG 4.24Å; F493-W498 HydrophobicContact CZ-CH2 4.12Å; F493-W498 AromaticContact CZ-CZ2 3.92Å; F493-W498 HydrophobicContact CZ-CZ2 3.92Å; F493-W498 HydrophobicContact CZ-CZ3 4.18Å; D494-W498 VanDerWaalsContact O-CA 3.25Å; D494-W498 WeakPolarHBondContact O-CA 3.39Å; D494-W498 PolarHBondContact O-N 2.76Å |
| 499 | R | 97.1 | Very high | 96.6 | Very high | 131 Ų | 131 | 66.2 Ų | 66.2 | 49% | 0.494 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 157.5 | -173.8 | 65.6 | -176.6 | 179.8 | -152.2 | -8.3 | 113.8 | D494 N497 V501 | D494-R499 HydrophobicContact CB-CG 4.27Å; D494-R499 WeakPolarHBondContact CB-O 3.37Å; D494-R499 PolarHBondContact N-O 3.02Å; D494-R499 PolarHBondContact O-N 2.92Å; D494-R499 IonicContact OD2-NE 2.78Å; D494-R499 IonicContact OD2-NH2 2.72Å; N497-R499 HydrophobicContact CB-CG 4Å; N497-R499 PolarHBondContact ND2-NH2 3.1Å; N497-R499 PolarHBondContact O-N 2.76Å; R499-V501 HydrophobicContact CG-CG2 3.79Å |
| 500 | K | 97 | Very high | 96.6 | Very high | 104 Ų | 104 | 69.3 Ų | 69.3 | 45% | 0.452 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 126.7 | 167.8 | -63.9 | -167.8 | -70.7 | -171.2 | 0 | 109.9 | E432 W460 Y491 F492 F493 | E432-K500 IonicContact OE2-NZ 3.77Å; E432-K500 PolarHBondContact OE2-NZ 2.86Å; W460-K500 HydrophobicContact CH2-CD 3.52Å; W460-K500 HydrophobicContact CH2-CG 4.04Å; W460-K500 HydrophobicContact CZ2-CD 3.58Å; Y491-K500 HydrophobicContact CD1-CB 4.26Å; F492-K500 WeakPolarHBondContact O-CA 3.42Å; F493-K500 HydrophobicContact CD2-CG 4.07Å |
| 501 | V | 97.4 | Very high | 96.6 | Very high | 38 Ų | 38 | 71.4 Ų | 71.4 | 23% | 0.23 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 129.9 | -178.1 | -178.7 | 0 | 0 | 0 | 0 | 109.4 | Y491 F492 D494 R499 | Y491-V501 WeakPolarHBondContact CA-O 3.39Å; F492-V501 HydrophobicContact CD1-CB 4.05Å; F492-V501 HydrophobicContact CD1-CG1 4.46Å; F492-V501 WeakPolarHBondContact CD1-O 3.38Å; F492-V501 HydrophobicContact CE1-CB 3.52Å; F492-V501 HydrophobicContact CE1-CG1 3.63Å; F492-V501 HydrophobicContact CE1-CG2 4.48Å; F492-V501 HydrophobicContact CZ-CB 3.81Å; F492-V501 HydrophobicContact CZ-CG1 4.04Å; F492-V501 HydrophobicContact CZ-CG2 4.3Å; F492-V501 PolarHBondContact N-O 2.95Å; F492-V501 PolarHBondContact O-N 3.3Å; D494-V501 HydrophobicContact CB-CG2 3.8Å; R499-V501 HydrophobicContact CG-CG2 3.79Å |
| 502 | A | 96.5 | Very high | 96.6 | Very high | 57 Ų | 57 | 68.5 Ų | 68.5 | 47% | 0.471 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 127.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110 | T489 Y490 Y491 | T489-A502 HydrophobicContact CG2-CB 4.38Å; Y490-A502 WeakPolarHBondContact O-CA 3.33Å; Y491-A502 HydrophobicContact CD1-CB 4.12Å; Y491-A502 HydrophobicContact CE1-CB 3.79Å |
| 503 | K | 95.5 | Very high | 96.4 | Very high | 87 Ų | 87 | 70.9 Ų | 70.9 | 38% | 0.378 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 148.7 | 177.5 | 176.1 | -178 | 169.3 | -163.5 | 0 | 109 | E466 Y490 F492 F505 | E466-K503 IonicContact OE2-NZ 3.14Å; E466-K503 PolarHBondContact OE2-NZ 3.01Å; E466-K503 VanDerWaalsContact OE2-NZ 3.11Å; Y490-K503 PolarHBondContact N-O 3.28Å; Y490-K503 PolarHBondContact O-N 3.18Å; F492-K503 HydrophobicContact CD1-CB 3.95Å; F492-K503 HydrophobicContact CD1-CD 4.33Å; F492-K503 HydrophobicContact CE1-CB 3.82Å; F492-K503 HydrophobicContact CE1-CD 3.91Å; F492-K503 HydrophobicContact CE1-CG 4.49Å; K503-F505 HydrophobicContact CB-CD2 4.19Å; K503-F505 HydrophobicContact CB-CE2 3.67Å; K503-F505 HydrophobicContact CB-CZ 4.23Å; K503-F505 HydrophobicContact CD-CE1 4.1Å; K503-F505 HydrophobicContact CD-CE2 4.01Å; K503-F505 HydrophobicContact CD-CZ 3.71Å; K503-F505 HydrophobicContact CG-CD2 4.28Å; K503-F505 HydrophobicContact CG-CE2 3.96Å; K503-F505 HydrophobicContact CG-CZ 4.19Å; K503-F505 WeakPolarHBondContact O-CD2 3.37Å |
| 504 | E | 95.3 | Very high | 96.3 | Very high | 102 Ų | 102 | 77.4 Ų | 77.4 | 48% | 0.477 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 128.9 | 169 | -168.6 | -173.6 | 173.2 | 0 | 0 | 109.1 | R487 G488 | R487-E504 IonicContact CZ-OE1 2.7Å; R487-E504 IonicContact NE-OE1 2.7Å; R487-E504 PolarHBondContact NE-OE1 3.3Å; R487-E504 IonicContact NH2-OE1 3.71Å; R487-E504 PolarHBondContact NH2-OE1 3.32Å; R487-E504 IonicContact NH2-OE2 3.78Å; G488-E504 WeakPolarHBondContact O-CA 3.24Å |
| 505 | F | 95.8 | Very high | 96 | Very high | 11 Ų | 11 | 83 Ų | 83 | 5% | 0.048 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 147.8 | 176.6 | -72.1 | -92.8 | 0 | 0 | 0 | 111.3 | I470 R487 G488 Y490 F492 K503 L507 | I470-F505 HydrophobicContact CD1-CD1 3.92Å; I470-F505 HydrophobicContact CD1-CE1 3.7Å; I470-F505 HydrophobicContact CD1-CE2 4.42Å; I470-F505 HydrophobicContact CD1-CG 4.38Å; I470-F505 HydrophobicContact CD1-CZ 3.95Å; I470-F505 HydrophobicContact CG1-CZ 4.4Å; I470-F505 HydrophobicContact CG2-CE2 4.45Å; R487-F505 VanDerWaalsContact CA-O 3.32Å; R487-F505 WeakPolarHBondContact CA-O 3.46Å; G488-F505 PolarHBondContact N-O 2.8Å; G488-F505 PolarHBondContact O-N 3.17Å; Y490-F505 HydrophobicContact CD2-CB 3.92Å; Y490-F505 HydrophobicContact CD2-CD2 4.21Å; Y490-F505 HydrophobicContact CE2-CB 4.4Å; Y490-F505 HydrophobicContact CG-CD2 4.43Å; F492-F505 HydrophobicContact CB-CE2 4.08Å; F492-F505 HydrophobicContact CB-CZ 3.82Å; F492-F505 AromaticContact CD1-CE2 3.81Å; F492-F505 HydrophobicContact CD1-CE2 3.81Å; F492-F505 AromaticContact CD1-CZ 3.65Å; F492-F505 HydrophobicContact CD1-CZ 3.65Å; F492-F505 HydrophobicContact CE1-CZ 4.44Å; F492-F505 HydrophobicContact CG-CE2 4.29Å; F492-F505 AromaticContact CG-CZ 3.88Å; F492-F505 HydrophobicContact CG-CZ 3.88Å; K503-F505 HydrophobicContact CB-CD2 4.19Å; K503-F505 HydrophobicContact CB-CE2 3.67Å; K503-F505 HydrophobicContact CB-CZ 4.23Å; K503-F505 HydrophobicContact CD-CE1 4.1Å; K503-F505 HydrophobicContact CD-CE2 4.01Å; K503-F505 HydrophobicContact CD-CZ 3.71Å; K503-F505 HydrophobicContact CG-CD2 4.28Å; K503-F505 HydrophobicContact CG-CE2 3.96Å; K503-F505 HydrophobicContact CG-CZ 4.19Å; K503-F505 WeakPolarHBondContact O-CD2 3.37Å; F505-L507 HydrophobicContact CB-CD2 3.6Å; F505-L507 HydrophobicContact CB-CG 3.82Å; F505-L507 HydrophobicContact CD1-CD2 4.15Å; F505-L507 HydrophobicContact CG-CD2 4.07Å |
| 506 | H | 95.8 | Very high | 95.8 | Very high | 91 Ų | 91 | 81.3 Ų | 81.3 | 42% | 0.421 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 106.6 | 159.1 | -179 | 82.4 | 0 | 0 | 0 | 106.9 | Y485 | Y485-H506 AromaticContact CD2-CE1 3.23Å; Y485-H506 WeakPolarHBondContact CD2-CE1 3.33Å; Y485-H506 AromaticContact CD2-ND1 3.67Å; Y485-H506 AromaticContact CE2-CE1 3.58Å; Y485-H506 AromaticContact CG-CE1 3.49Å; Y485-H506 VanDerWaalsContact CG-CE1 3.49Å; Y485-H506 AromaticContact CG-NE2 3.96Å |
| 507 | L | 95.3 | Very high | 95.5 | Very high | 5 Ų | 5 | 81.2 Ų | 81.2 | 3% | 0.026 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 98.5 | -174.4 | -59.7 | -178.2 | 0 | 0 | 0 | 109.7 | I470 Y485 E486 Y490 F505 L512 | I470-L507 HydrophobicContact CD1-CD2 3.76Å; I470-L507 HydrophobicContact CG2-CD1 4.34Å; Y485-L507 CarbonylContact C-O 3.57Å; Y485-L507 WeakPolarHBondContact CA-O 3.4Å; Y485-L507 WeakPolarHBondContact CB-O 3.49Å; E486-L507 HydrophobicContact CG-CB 4.21Å; E486-L507 PolarHBondContact N-O 2.88Å; E486-L507 PolarHBondContact O-N 3.23Å; Y490-L507 HydrophobicContact CD1-CD1 3.72Å; Y490-L507 HydrophobicContact CD2-CD1 4.03Å; Y490-L507 HydrophobicContact CE1-CD1 3.4Å; Y490-L507 HydrophobicContact CE2-CD1 3.77Å; Y490-L507 HydrophobicContact CE2-CG 4.23Å; Y490-L507 HydrophobicContact CG-CD1 4.05Å; Y490-L507 VanDerWaalsContact CZ-CD1 3.48Å; F505-L507 HydrophobicContact CB-CD2 3.6Å; F505-L507 HydrophobicContact CB-CG 3.82Å; F505-L507 HydrophobicContact CD1-CD2 4.15Å; F505-L507 HydrophobicContact CG-CD2 4.07Å; L507-L512 HydrophobicContact CD2-CD2 4.45Å |
| 508 | E | 96.7 | Very high | 95 | Very high | 83 Ų | 83 | 81.3 Ų | 81.3 | 39% | 0.388 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 128.1 | 164.2 | -73.3 | 177.2 | -160.4 | 0 | 0 | 109.5 | D510 K511 L512 | E508-D510 VanDerWaalsContact C-N 3.26Å; E508-D510 PolarHBondContact O-N 3.14Å; E508-K511 HydrophobicContact CB-CB 4.24Å; E508-K511 HydrophobicContact CB-CG 3.65Å; E508-K511 PolarHBondContact O-N 3.43Å; E508-K511 VanDerWaalsContact OE2-CE 3.28Å; E508-K511 WeakPolarHBondContact OE2-CE 3.48Å; E508-L512 PolarHBondContact O-N 3.38Å |
| 509 | Y | 95.1 | Very high | 94.4 | Very high | 76 Ų | 76 | 80.1 Ų | 80.1 | 30% | 0.298 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -65 | -30.6 | -176.3 | -62.5 | -47.5 | 0 | 0 | 0 | 112.7 | K481 T484 E486 K511 L512 | K481-Y509 WeakPolarHBondContact CE-OH 3.42Å; T484-Y509 VanDerWaalsContact C-CD2 3.44Å; T484-Y509 WeakPolarHBondContact O-CD2 3.16Å; T484-Y509 PolarHBondContact O-N 3.38Å; E486-Y509 HydrophobicContact CB-CE1 4.43Å; E486-Y509 HydrophobicContact CG-CE1 3.68Å; E486-Y509 WeakPolarHBondContact OE2-CE1 3.42Å; E486-Y509 PolarHBondContact OE2-OH 3.28Å; Y509-K511 PolarHBondContact O-N 2.89Å; Y509-L512 HydrophobicContact CD1-CD1 4.38Å; Y509-L512 PolarHBondContact O-N 3.21Å |
| 510 | D | 96.3 | Very high | 93.5 | Very high | 119 Ų | 119 | 79.2 Ų | 79.2 | 64% | 0.636 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -65.2 | -24.8 | 173.1 | -178.2 | 66.9 | 0 | 0 | 0 | 113.1 | K464 E508 | K464-D510 WeakPolarHBondContact CE-O 3.4Å; K464-D510 PolarHBondContact NZ-O 3.15Å; E508-D510 VanDerWaalsContact C-N 3.26Å; E508-D510 PolarHBondContact O-N 3.14Å |
| 511 | K | 96.7 | Very high | 92.2 | Very high | 49 Ų | 49 | 78.6 Ų | 78.6 | 21% | 0.213 | 40% | 0.402 | C | S | . | . | G | 310 helix | trans | -85.7 | -15.8 | 179.3 | -55.5 | -56.7 | -168 | 174.5 | 0 | 113.2 | K464 E465 E508 Y509 | K464-K511 WeakPolarHBondContact CB-O 3.46Å; K464-K511 WeakPolarHBondContact CE-O 3.43Å; K464-K511 WeakPolarHBondContact CG-O 3.09Å; K464-K511 PolarHBondContact N-O 3.46Å; E465-K511 HydrophobicContact CG-CD 4.42Å; E465-K511 WeakPolarHBondContact OE1-CE 3.48Å; E465-K511 IonicContact OE1-NZ 3.8Å; E465-K511 PolarHBondContact OE1-NZ 3.15Å; E465-K511 WeakPolarHBondContact OE2-CD 3.47Å; E465-K511 WeakPolarHBondContact OE2-CE 3.31Å; E465-K511 IonicContact OE2-NZ 3.28Å; E508-K511 HydrophobicContact CB-CB 4.24Å; E508-K511 HydrophobicContact CB-CG 3.65Å; E508-K511 PolarHBondContact O-N 3.43Å; E508-K511 VanDerWaalsContact OE2-CE 3.28Å; E508-K511 WeakPolarHBondContact OE2-CE 3.48Å; Y509-K511 PolarHBondContact O-N 2.89Å |
| 512 | L | 96.4 | Very high | 90.6 | Very high | 26 Ų | 26 | 86.4 Ų | 86.4 | 14% | 0.136 | 43% | 0.433 | C | S | . | . | B | Isolated β-bridge | trans | -77.2 | 149.7 | 171 | -60.5 | -178.7 | 0 | 0 | 0 | 110.4 | R461 Y462 H463 K464 L507 E508 Y509 | R461-L512 HydrophobicContact CB-CD1 4.32Å; R461-L512 HydrophobicContact CB-CD2 4.35Å; Y462-L512 CarbonylContact O-C 3.52Å; Y462-L512 WeakPolarHBondContact O-CA 3.49Å; H463-L512 HydrophobicContact CB-CD2 4.21Å; K464-L512 WeakPolarHBondContact CE-O 3.41Å; L507-L512 HydrophobicContact CD2-CD2 4.45Å; E508-L512 PolarHBondContact O-N 3.38Å; Y509-L512 HydrophobicContact CD1-CD1 4.38Å; Y509-L512 PolarHBondContact O-N 3.21Å |
| 513 | E | 95 | Very high | 89.2 | Confident | 81 Ų | 81 | 91.7 Ų | 91.7 | 38% | 0.379 | 45% | 0.453 | S | S | . | . | trans | -83.6 | 137.7 | 171.9 | -158.8 | 173.9 | 175.2 | 0 | 0 | 110.3 | Y462 K464 | Y462-E513 HydrophobicContact CD1-CB 4.48Å; Y462-E513 VanDerWaalsContact CD1-OE2 3.26Å; Y462-E513 WeakPolarHBondContact CD1-OE2 3.41Å; Y462-E513 PolarHBondContact O-N 3.42Å; K464-E513 HydrophobicContact CG-CB 4.19Å | ||
| 514 | E | 94.2 | Very high | 88.5 | Confident | 144 Ų | 144 | 94.1 Ų | 94.1 | 67% | 0.673 | 46% | 0.461 | S | S | * | . | trans | -67.5 | 179.6 | 170.8 | -76.7 | -65.6 | 172.7 | 0 | 0 | 111.4 | P516 | E514-P516 WeakPolarHBondContact O-CD 3.35Š| ||
| 515 | R | 93.3 | Very high | 88 | Confident | 139 Ų | 139 | 92.6 Ų | 92.6 | 53% | 0.525 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -53.6 | 125.4 | 175.6 | -174.3 | 178 | -176.7 | 163.1 | 6.3 | 110.5 | F456 H517 | F456-R515 HydrophobicContact CD1-CB 4.25Å; F456-R515 HydrophobicContact CD1-CG 4.12Å; F456-R515 HydrophobicContact CE1-CB 3.89Å; F456-R515 HydrophobicContact CE1-CG 4.18Å; F456-R515 HydrophobicContact CE2-CB 4.3Å; F456-R515 HydrophobicContact CZ-CB 3.91Å; R515-H517 PolarHBondContact O-CE1 2.91Å; R515-H517 PolarHBondContact O-N 3.32Å; R515-H517 PolarHBondContact O-ND1 3.34Å |
| 516 | P | 92.5 | Very high | 87.5 | Confident | 12 Ų | 12 | 95.8 Ų | 95.8 | 8% | 0.078 | 48% | 0.478 | C | S | . | . | P | Polyproline II helix | trans | -59.7 | 136.9 | -178.5 | -26.2 | 34.5 | 0 | 0 | 0 | 112.6 | A452 V453 E514 | A452-P516 HydrophobicContact CB-CB 4.13Å; A452-P516 HydrophobicContact CB-CG 3.72Å; V453-P516 HydrophobicContact CG2-CB 3.96Å; V453-P516 HydrophobicContact CG2-CG 4.47Å; E514-P516 WeakPolarHBondContact O-CD 3.35Å |
| 517 | H | 89.5 | Confident | 87 | Confident | 157 Ų | 157 | 93.1 Ų | 93.1 | 73% | 0.727 | 47% | 0.472 | S | S | * | . | P | Polyproline II helix | trans | -95 | 129.2 | -177.8 | -65.4 | 80.7 | 0 | 0 | 0 | 110.2 | R515 | R515-H517 PolarHBondContact O-CE1 2.91Å; R515-H517 PolarHBondContact O-N 3.32Å; R515-H517 PolarHBondContact O-ND1 3.34Å |
| 518 | L | 86.2 | Confident | 86.5 | Confident | 93 Ų | 93 | 100.4 Ų | 100.4 | 49% | 0.487 | 51% | 0.506 | S | S | . | . | P | Polyproline II helix | trans | -86.7 | 120.2 | 174.2 | -65.4 | 171.1 | 0 | 0 | 0 | 109.3 | L449 L450 | L449-L518 HydrophobicContact CB-CD2 3.79Å; L450-L518 HydrophobicContact CD2-CD1 4.02Å; L450-L518 HydrophobicContact CD2-CD2 3.91Å; L450-L518 HydrophobicContact CG-CD2 4.26Å |
| 519 | P | 85 | Confident | 85.8 | Confident | 78 Ų | 78 | 102.7 Ų | 102.7 | 51% | 0.506 | 52% | 0.516 | S | S | . | . | P | Polyproline II helix | trans | -66 | 142 | 176.3 | 27.6 | -34 | 0 | 0 | 0 | 110.6 | L449 T521 | L449-P519 VanDerWaalsContact CD1-CD 3.46Å; L449-P519 HydrophobicContact CD1-CG 4.12Å; P519-T521 VanDerWaalsContact C-N 3.34Å |
| 520 | S | 77.6 | Confident | 85.1 | Confident | 112 Ų | 112 | 100.5 Ų | 100.5 | 78% | 0.783 | 51% | 0.514 | S | S | * | . | trans | -84.7 | -5.9 | -179.7 | 52 | 0 | 0 | 0 | 0 | 114 | ||||
| 521 | T | 71.3 | Confident | 84.2 | Confident | 90 Ų | 90 | 104.8 Ų | 104.8 | 55% | 0.552 | 53% | 0.527 | S | S | * | . | trans | -88.5 | 108.1 | -172.2 | 48.2 | 0 | 0 | 0 | 0 | 112.4 | P519 | P519-T521 VanDerWaalsContact C-N 3.34Š| ||
| 522 | F | 62.4 | Low | 83.5 | Confident | 202 Ų | 202 | 107.6 Ų | 107.6 | 89% | 0.886 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -81.6 | -19.7 | 172.6 | -80.6 | -88.7 | 0 | 0 | 0 | 114.2 | ||
| 523 | N | 68.1 | Low | 82.9 | Confident | 168 Ų | 168 | 111.8 Ų | 111.8 | 90% | 0.898 | 57% | 0.565 | S | S | * | * | trans | -100.8 | 75 | 176.1 | -74 | -19.2 | 0 | 0 | 0 | 110 | ||||
| 524 | Y | 80.6 | Confident | 82.2 | Confident | 138 Ų | 138 | 113.6 Ų | 113.6 | 54% | 0.541 | 58% | 0.575 | S | S | . | * | trans | -125.8 | 123.4 | 171.6 | -177.6 | -98.7 | 0 | 0 | 0 | 109.2 | P526 Q529 | Y524-P526 HydrophobicContact CE1-CB 3.9Å; Y524-P526 HydrophobicContact CE1-CG 4.31Å; Y524-Q529 VanDerWaalsContact CE2-OE1 3.26Å | ||
| 525 | N | 84.9 | Confident | 81.5 | Confident | 71 Ų | 71 | 111.8 Ų | 111.8 | 38% | 0.38 | 57% | 0.569 | S | S | . | * | trans | -125.2 | 108.4 | 172.6 | -178.7 | -5.1 | 0 | 0 | 0 | 108.2 | A527 Q528 | N525-A527 PolarHBondContact O-N 3.03Å; N525-A527 WeakPolarHBondContact OD1-CB 3.44Å; N525-A527 PolarHBondContact OD1-N 2.87Å; N525-A527 VanDerWaalsContact OD1-N 3.1Å; N525-Q528 HydrophobicContact CB-CG 4.1Å; N525-Q528 PolarHBondContact O-N 3.1Å | ||
| 526 | P | 84.4 | Confident | 80.8 | Confident | 77 Ų | 77 | 110.1 Ų | 110.1 | 50% | 0.5 | 57% | 0.572 | S | S | . | * | G | 310 helix | trans | -61.1 | -28.6 | -177.3 | 23.9 | -32.7 | 0 | 0 | 0 | 112.5 | Y524 Q528 Q529 A530 | Y524-P526 HydrophobicContact CE1-CB 3.9Å; Y524-P526 HydrophobicContact CE1-CG 4.31Å; P526-Q528 PolarHBondContact O-N 3.37Å; P526-Q529 CarbonylContact O-C 3.55Å; P526-Q529 PolarHBondContact O-N 3.41Å; P526-A530 PolarHBondContact O-N 3.3Å; P526-A530 VanDerWaalsContact O-N 3.08Å |
| 527 | A | 85.1 | Confident | 80 | Confident | 36 Ų | 36 | 116.6 Ų | 116.6 | 30% | 0.298 | 61% | 0.605 | S | S | . | * | G | 310 helix | trans | -66.4 | -19.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | W394 N525 Q529 | W394-A527 HydrophobicContact CB-CB 3.64Å; W394-A527 HydrophobicContact CG-CB 4.04Å; N525-A527 PolarHBondContact O-N 3.03Å; N525-A527 WeakPolarHBondContact OD1-CB 3.44Å; N525-A527 PolarHBondContact OD1-N 2.87Å; N525-A527 VanDerWaalsContact OD1-N 3.1Å; A527-Q529 VanDerWaalsContact C-N 3.32Å |
| 528 | Q | 84.9 | Confident | 79.3 | Confident | 158 Ų | 158 | 113.7 Ų | 113.7 | 74% | 0.738 | 60% | 0.596 | S | S | * | * | G | 310 helix | trans | -83.8 | -9.5 | 173.8 | -66.5 | 179 | -8.5 | 0 | 0 | 113.1 | N525 P526 | N525-Q528 HydrophobicContact CB-CG 4.1Å; N525-Q528 PolarHBondContact O-N 3.1Å; P526-Q528 PolarHBondContact O-N 3.37Å |
| 529 | Q | 81.9 | Confident | 78.8 | Confident | 130 Ų | 130 | 115.3 Ų | 115.3 | 61% | 0.607 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -128.1 | 20.1 | -177.4 | -58.6 | 179.3 | 10.8 | 0 | 0 | 111 | Y524 P526 A527 | Y524-Q529 VanDerWaalsContact CE2-OE1 3.26Å; P526-Q529 CarbonylContact O-C 3.55Å; P526-Q529 PolarHBondContact O-N 3.41Å; A527-Q529 VanDerWaalsContact C-N 3.32Å |
| 530 | A | 80.8 | Confident | 78.2 | Confident | 31 Ų | 31 | 118.4 Ų | 118.4 | 26% | 0.256 | 61% | 0.613 | S | S | . | * | trans | -75.5 | 134.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | W394 P526 | W394-A530 HydrophobicContact CB-CB 4.48Å; P526-A530 PolarHBondContact O-N 3.3Å; P526-A530 VanDerWaalsContact O-N 3.08Å | ||
| 531 | F | 76.9 | Confident | 78.3 | Confident | 208 Ų | 208 | 119 Ų | 119 | 91% | 0.912 | 60% | 0.597 | S | S | * | * | trans | 73.9 | 0 | -176.4 | -50.9 | -89.6 | 0 | 0 | 0 | 114.6 | L376 | L376-F531 HydrophobicContact CD1-CE1 4.47Å; L376-F531 HydrophobicContact CD2-CD1 4.32Å; L376-F531 HydrophobicContact CD2-CE1 3.57Å; L376-F531 HydrophobicContact CD2-CZ 4.42Å |
Retrieved 531 of 531 residues in 1589.4 ms
(Link to these results)