| 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 | 45.9 | Very low | 41.1 | Very low | 219 Ų | 219 | 139 Ų | 139 | 100% | 1.079 | 81% | 0.814 | S | S | * | * | 0 | 105.4 | 0 | -47.6 | -44 | -179.6 | 0 | 0 | 106.4 | |||||
| 2 | P | 55 | Low | 41.1 | Very low | 129 Ų | 129 | 138.1 Ų | 138.1 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | cis | -89.8 | -173.7 | 24.3 | 37.6 | -37.9 | 0 | 0 | 0 | 113.8 | ||||
| 3 | S | 37.3 | Very low | 41.5 | Very low | 112 Ų | 112 | 139.8 Ų | 139.8 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | trans | -129.3 | 121 | 176.4 | -59.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 4 | L | 46.3 | Very low | 41.3 | Very low | 161 Ų | 161 | 141.7 Ų | 141.7 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | trans | -138.3 | 115.2 | 170.1 | -95 | 172 | 0 | 0 | 0 | 108.1 | ||||
| 5 | L | 43.7 | Very low | 40.8 | Very low | 165 Ų | 165 | 136.6 Ų | 136.6 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | trans | -145.5 | 128.5 | 163 | -77.4 | 172.6 | 0 | 0 | 0 | 106.1 | ||||
| 6 | V | 41 | Very low | 40.6 | Very low | 111 Ų | 111 | 132 Ų | 132 | 67% | 0.673 | 78% | 0.779 | S | S | * | * | cis | 86.7 | 100.7 | 28.9 | -174 | 0 | 0 | 0 | 0 | 114 | ||||
| 7 | L | 38.9 | Very low | 40.6 | Very low | 160 Ų | 160 | 138.2 Ų | 138.2 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | trans | 44.4 | 130.2 | 148.9 | -83.6 | 92.4 | 0 | 0 | 0 | 123.4 | ||||
| 8 | A | 35.9 | Very low | 40.3 | Very low | 98 Ų | 98 | 135.1 Ų | 135.1 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | 79.6 | 150.8 | 127.6 | 0 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 9 | G | 32.1 | Very low | 40 | Very low | 66 Ų | 66 | 131.5 Ų | 131.5 | 68% | 0.68 | 79% | 0.786 | S | S | * | * | trans | 83.4 | 166.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 10 | I | 38.9 | Very low | 39.9 | Very low | 158 Ų | 158 | 132.2 Ų | 132.2 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | cis | -159.7 | 146.1 | -13.7 | 19.7 | 171.9 | 0 | 0 | 0 | 110.4 | ||||
| 11 | M | 36.7 | Very low | 39.8 | Very low | 150 Ų | 150 | 133.7 Ų | 133.7 | 74% | 0.739 | 79% | 0.789 | S | S | * | * | trans | 38.5 | 126.5 | 139.9 | -69 | 165 | 62.6 | 0 | 0 | 123 | ||||
| 12 | E | 41.2 | Very low | 39.4 | Very low | 128 Ų | 128 | 128 Ų | 128 | 60% | 0.598 | 78% | 0.777 | S | S | * | * | 86.3 | 125.5 | 129.3 | -71.5 | -171.3 | 111.9 | 0 | 0 | 124.7 | |||||
| 13 | K | 46.2 | Very low | 38.3 | Very low | 160 Ų | 160 | 124.9 Ų | 124.9 | 70% | 0.696 | 77% | 0.767 | S | S | * | * | trans | 60.5 | 113.7 | 131.8 | -67.4 | 172.4 | 175 | 156.1 | 0 | 121.8 | ||||
| 14 | N | 39.3 | Very low | 38.2 | Very low | 167 Ų | 167 | 126.1 Ų | 126.1 | 89% | 0.893 | 78% | 0.776 | S | S | * | * | 168.7 | 152.6 | 107 | -84.2 | -33.4 | 0 | 0 | 0 | 110.6 | |||||
| 15 | G | 33.7 | Very low | 37.5 | Very low | 65 Ų | 65 | 121.2 Ų | 121.2 | 67% | 0.67 | 76% | 0.764 | S | S | * | * | cis | 167.2 | 155.6 | -7.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 16 | G | 37.3 | Very low | 36.9 | Very low | 63 Ų | 63 | 123.9 Ų | 123.9 | 65% | 0.649 | 77% | 0.769 | S | S | * | * | trans | 75.6 | 152.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 17 | Y | 40.4 | Very low | 36.5 | Very low | 238 Ų | 238 | 122.2 Ų | 122.2 | 93% | 0.933 | 78% | 0.775 | S | S | * | * | cis | -154.6 | 166.4 | -3.3 | -61.4 | -82.5 | 0 | 0 | 0 | 108 | ||||
| 18 | G | 36 | Very low | 36.3 | Very low | 82 Ų | 82 | 117.8 Ų | 117.8 | 85% | 0.845 | 77% | 0.768 | S | S | * | * | cis | 135.7 | 115 | -3.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 19 | G | 34.1 | Very low | 36.4 | Very low | 67 Ų | 67 | 122.1 Ų | 122.1 | 69% | 0.691 | 77% | 0.771 | S | S | * | * | trans | -176.9 | 119 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 20 | D | 38.3 | Very low | 36.3 | Very low | 145 Ų | 145 | 122.7 Ų | 122.7 | 78% | 0.775 | 78% | 0.777 | S | S | * | * | trans | 43.6 | 115.3 | 149.9 | -50.9 | -49.2 | 0 | 0 | 0 | 120.7 | ||||
| 21 | L | 37.8 | Very low | 36.4 | Very low | 164 Ų | 164 | 123.1 Ų | 123.1 | 86% | 0.859 | 78% | 0.78 | S | S | * | * | 61 | 131.7 | 77.2 | -62.3 | 171.5 | 0 | 0 | 0 | 113.5 | |||||
| 22 | A | 36.3 | Very low | 36.1 | Very low | 100 Ų | 100 | 123.7 Ų | 123.7 | 83% | 0.826 | 79% | 0.785 | S | S | * | * | cis | -167.8 | 171.6 | -14.3 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 23 | G | 32.1 | Very low | 36 | Very low | 62 Ų | 62 | 123.7 Ų | 123.7 | 64% | 0.639 | 79% | 0.794 | S | S | * | * | cis | 167.4 | 176.2 | 0.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 24 | S | 35.6 | Very low | 35.5 | Very low | 139 Ų | 139 | 120.5 Ų | 120.5 | 97% | 0.972 | 80% | 0.797 | S | S | * | * | trans | 76.3 | 152.1 | -170.8 | -32.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 25 | G | 31.1 | Very low | 35.9 | Very low | 57 Ų | 57 | 117.8 Ų | 117.8 | 59% | 0.588 | 79% | 0.788 | S | S | * | * | cis | 164.3 | 147.5 | -8.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 26 | F | 32.5 | Very low | 36.3 | Very low | 221 Ų | 221 | 121.7 Ų | 121.7 | 97% | 0.969 | 79% | 0.794 | S | S | * | * | trans | 63 | 159.4 | -176.5 | -51.9 | -90.2 | 0 | 0 | 0 | 114.3 | ||||
| 27 | G | 31.4 | Very low | 36.9 | Very low | 77 Ų | 77 | 128.1 Ų | 128.1 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | cis | 136.5 | 131 | -7.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 28 | G | 35.7 | Very low | 37.7 | Very low | 66 Ų | 66 | 124.6 Ų | 124.6 | 68% | 0.68 | 80% | 0.799 | S | S | * | * | trans | 115.4 | 149.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 29 | E | 37.8 | Very low | 38.7 | Very low | 190 Ų | 190 | 128 Ų | 128 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | trans | -35.8 | 156.5 | 170 | 53.7 | -102.4 | 57 | 0 | 0 | 119.1 | ||||
| 30 | G | 31 | Very low | 39.6 | Very low | 78 Ų | 78 | 130.2 Ų | 130.2 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | 170.1 | 90.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 31 | L | 39.5 | Very low | 40.5 | Very low | 166 Ų | 166 | 129.7 Ų | 129.7 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | trans | -44 | 136.9 | 156.8 | 178 | 80.4 | 0 | 0 | 0 | 112.7 | ||||
| 32 | L | 31.1 | Very low | 41.7 | Very low | 162 Ų | 162 | 124.8 Ų | 124.8 | 85% | 0.848 | 77% | 0.766 | S | S | * | * | trans | -171.6 | 162.3 | 133.5 | -104.9 | 173.1 | 0 | 0 | 0 | 114.2 | ||||
| 33 | V | 38.4 | Very low | 43.1 | Very low | 129 Ų | 129 | 127.9 Ų | 127.9 | 78% | 0.782 | 76% | 0.756 | S | S | * | * | trans | -82.3 | 145.9 | -178.3 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 34 | A | 35.9 | Very low | 44.7 | Very low | 92 Ų | 92 | 127.9 Ų | 127.9 | 76% | 0.76 | 75% | 0.75 | S | S | * | * | trans | -92.8 | 134.7 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 35 | P | 47.7 | Very low | 46.1 | Very low | 110 Ų | 110 | 126.8 Ų | 126.8 | 71% | 0.714 | 73% | 0.733 | S | S | * | * | trans | -89.2 | 174 | -167.5 | 36.8 | -38.1 | 0 | 0 | 0 | 114.6 | ||||
| 36 | D | 42.1 | Very low | 48 | Very low | 148 Ų | 148 | 131.5 Ų | 131.5 | 79% | 0.791 | 73% | 0.733 | S | S | * | * | trans | -65.1 | 135.8 | -176.1 | -47.3 | -101.9 | 0 | 0 | 0 | 114.2 | E38 | D36-E38 VanDerWaalsContact C-N 3.33Å; D36-E38 PolarHBondContact O-N 3.2Å | ||
| 37 | E | 51 | Low | 49.7 | Very low | 197 Ų | 197 | 125.3 Ų | 125.3 | 92% | 0.921 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -86.4 | 6.1 | 177.8 | -61.6 | -172 | 121.9 | 0 | 0 | 113.8 | ||
| 38 | E | 56 | Low | 51.1 | Low | 164 Ų | 164 | 124.4 Ų | 124.4 | 77% | 0.766 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -84.3 | -14.6 | -168.8 | -160.1 | 171.3 | 160 | 0 | 0 | 114.7 | D36 | D36-E38 VanDerWaalsContact C-N 3.33Å; D36-E38 PolarHBondContact O-N 3.2Å |
| 39 | E | 56.8 | Low | 52.5 | Low | 154 Ų | 154 | 126.3 Ų | 126.3 | 72% | 0.72 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -86 | -24.9 | -170.9 | -144.1 | -172.7 | 158.6 | 0 | 0 | 115.3 | S42 R43 | E39-S42 WeakPolarHBondContact O-CB 3.32Å; E39-S42 PolarHBondContact O-N 2.69Å; E39-R43 PolarHBondContact O-N 2.73Å |
| 40 | D | 52.9 | Low | 53.9 | Low | 114 Ų | 114 | 119.3 Ų | 119.3 | 61% | 0.61 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -79.9 | -31.4 | -175 | -113.2 | -30.1 | 0 | 0 | 0 | 113.6 | S42 R43 A44 | D40-S42 PolarHBondContact O-N 2.74Å; D40-R43 WeakPolarHBondContact O-CA 3.32Å; D40-R43 WeakPolarHBondContact O-CB 3.27Å; D40-R43 PolarHBondContact O-N 3.05Å; D40-R43 WeakPolarHBondContact OD1-CD 3.14Å; D40-A44 PolarHBondContact O-N 3.06Å |
| 41 | D | 56.8 | Low | 55 | Low | 134 Ų | 134 | 122.4 Ų | 122.4 | 72% | 0.717 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -60.5 | -39 | 170.1 | -91.5 | -12 | 0 | 0 | 0 | 111 | R43 A44 L45 | D41-R43 PolarHBondContact O-N 2.73Å; D41-A44 PolarHBondContact O-N 3.46Å; D41-L45 WeakPolarHBondContact O-CB 3.48Å; D41-L45 PolarHBondContact O-N 3.39Å |
| 42 | S | 64 | Low | 55.7 | Low | 61 Ų | 61 | 120.4 Ų | 120.4 | 43% | 0.427 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -63.2 | -24.1 | 172.5 | -69.8 | 0 | 0 | 0 | 0 | 112.4 | E39 D40 R46 | E39-S42 WeakPolarHBondContact O-CB 3.32Å; E39-S42 PolarHBondContact O-N 2.69Å; D40-S42 PolarHBondContact O-N 2.74Å; S42-R46 WeakPolarHBondContact O-CG 3.45Å; S42-R46 PolarHBondContact O-NE 3.3Å; S42-R46 PolarHBondContact O-NH2 3.01Å |
| 43 | R | 65 | Low | 56.7 | Low | 165 Ų | 165 | 117.7 Ų | 117.7 | 62% | 0.623 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -80.6 | -44.7 | 174 | -165.3 | -179.8 | -170.2 | 160.9 | 3.5 | 111.7 | E39 D40 D41 L45 R46 V47 | E39-R43 PolarHBondContact O-N 2.73Å; D40-R43 WeakPolarHBondContact O-CA 3.32Å; D40-R43 WeakPolarHBondContact O-CB 3.27Å; D40-R43 PolarHBondContact O-N 3.05Å; D40-R43 WeakPolarHBondContact OD1-CD 3.14Å; D41-R43 PolarHBondContact O-N 2.73Å; R43-L45 VanDerWaalsContact C-N 3.35Å; R43-L45 PolarHBondContact O-N 2.82Å; R43-R46 PolarHBondContact O-N 3.37Å; R43-V47 PolarHBondContact O-N 3.29Å |
| 44 | A | 65.3 | Low | 57.3 | Low | 61 Ų | 61 | 119 Ų | 119 | 50% | 0.504 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -58.1 | -45.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | D40 D41 R46 V47 A48 | D40-A44 PolarHBondContact O-N 3.06Å; D41-A44 PolarHBondContact O-N 3.46Å; A44-R46 PolarHBondContact O-N 3Å; A44-V47 PolarHBondContact O-N 3.4Å; A44-A48 PolarHBondContact O-N 3.4Å |
| 45 | L | 66.8 | Low | 58.1 | Low | 117 Ų | 117 | 121.1 Ų | 121.1 | 61% | 0.613 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -61.4 | -40.7 | 178.7 | -166 | 73.1 | 0 | 0 | 0 | 112.5 | D41 R43 V47 A48 L49 | D41-L45 WeakPolarHBondContact O-CB 3.48Å; D41-L45 PolarHBondContact O-N 3.39Å; R43-L45 VanDerWaalsContact C-N 3.35Å; R43-L45 PolarHBondContact O-N 2.82Å; L45-V47 PolarHBondContact O-N 3.5Å; L45-A48 PolarHBondContact O-N 3.47Å; L45-L49 HydrophobicContact CG-CD1 4.32Å; L45-L49 WeakPolarHBondContact O-CG 3.46Å; L45-L49 PolarHBondContact O-N 2.91Å |
| 46 | R | 69.5 | Low | 58.3 | Low | 155 Ų | 155 | 119.4 Ų | 119.4 | 59% | 0.585 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -64.6 | -37.2 | 176.6 | -79 | 178.2 | -75.5 | -171.8 | -2.8 | 112.4 | S42 R43 A44 G50 | S42-R46 WeakPolarHBondContact O-CG 3.45Å; S42-R46 PolarHBondContact O-NE 3.3Å; S42-R46 PolarHBondContact O-NH2 3.01Å; R43-R46 PolarHBondContact O-N 3.37Å; A44-R46 PolarHBondContact O-N 3Å; R46-G50 PolarHBondContact O-N 2.86Å; R46-G50 VanDerWaalsContact O-N 3.14Å |
| 47 | V | 69.1 | Low | 58.7 | Low | 92 Ų | 92 | 121 Ų | 121 | 56% | 0.558 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -68.8 | -41.9 | 175.8 | 175.1 | 0 | 0 | 0 | 0 | 111.5 | R43 A44 L45 G50 Q51 | R43-V47 PolarHBondContact O-N 3.29Å; A44-V47 PolarHBondContact O-N 3.4Å; L45-V47 PolarHBondContact O-N 3.5Å; V47-G50 PolarHBondContact O-N 2.79Å; V47-Q51 PolarHBondContact O-N 3.19Å |
| 48 | A | 60.9 | Low | 58.2 | Low | 57 Ų | 57 | 115.2 Ų | 115.2 | 47% | 0.471 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -62.4 | -46 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A44 L45 G50 Q51 L52 | A44-A48 PolarHBondContact O-N 3.4Å; L45-A48 PolarHBondContact O-N 3.47Å; A48-G50 VanDerWaalsContact C-N 3.3Å; A48-G50 PolarHBondContact O-N 2.63Å; A48-Q51 PolarHBondContact O-N 3.16Å; A48-L52 PolarHBondContact O-N 3.29Å |
| 49 | L | 64.9 | Low | 57.5 | Low | 106 Ų | 106 | 117.2 Ų | 117.2 | 56% | 0.555 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -63.5 | -35.1 | 176.3 | -69.5 | 169.9 | 0 | 0 | 0 | 112.3 | L45 Q51 L52 S53 | L45-L49 HydrophobicContact CG-CD1 4.32Å; L45-L49 WeakPolarHBondContact O-CG 3.46Å; L45-L49 PolarHBondContact O-N 2.91Å; L49-Q51 VanDerWaalsContact C-N 3.33Å; L49-Q51 PolarHBondContact O-N 2.89Å; L49-L52 PolarHBondContact O-N 2.86Å; L49-S53 PolarHBondContact O-N 3.05Å |
| 50 | G | 67.2 | Low | 56.7 | Low | 44 Ų | 44 | 113.3 Ų | 113.3 | 45% | 0.454 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -61.1 | -36.1 | 176 | 0 | 0 | 0 | 0 | 0 | 114 | R46 V47 A48 S53 | R46-G50 PolarHBondContact O-N 2.86Å; R46-G50 VanDerWaalsContact O-N 3.14Å; V47-G50 PolarHBondContact O-N 2.79Å; A48-G50 VanDerWaalsContact C-N 3.3Å; A48-G50 PolarHBondContact O-N 2.63Å; G50-S53 PolarHBondContact O-N 3.03Å |
| 51 | Q | 54.7 | Low | 56.1 | Low | 143 Ų | 143 | 117.3 Ų | 117.3 | 67% | 0.668 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -77.1 | -29.8 | 179 | -66.4 | -162.2 | -2.4 | 0 | 0 | 113.4 | V47 A48 L49 S53 L54 | V47-Q51 PolarHBondContact O-N 3.19Å; A48-Q51 PolarHBondContact O-N 3.16Å; L49-Q51 VanDerWaalsContact C-N 3.33Å; L49-Q51 PolarHBondContact O-N 2.89Å; Q51-S53 VanDerWaalsContact C-N 3.26Å; Q51-S53 PolarHBondContact O-N 2.83Å; Q51-L54 PolarHBondContact O-N 3.4Å |
| 52 | L | 54.5 | Low | 55.1 | Low | 123 Ų | 123 | 119.4 Ų | 119.4 | 64% | 0.644 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -64.8 | -32.1 | 172.8 | -69.1 | 172.2 | 0 | 0 | 0 | 112 | A48 L49 L54 L55 | A48-L52 PolarHBondContact O-N 3.29Å; L49-L52 PolarHBondContact O-N 2.86Å; L52-L54 PolarHBondContact O-N 3.41Å; L52-L55 PolarHBondContact O-N 2.94Å |
| 53 | S | 52.1 | Low | 53.7 | Low | 105 Ų | 105 | 120.1 Ų | 120.1 | 73% | 0.734 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | -8.2 | 177.1 | -167.7 | 0 | 0 | 0 | 0 | 114.6 | L49 G50 Q51 | L49-S53 PolarHBondContact O-N 3.05Å; G50-S53 PolarHBondContact O-N 3.03Å; Q51-S53 VanDerWaalsContact C-N 3.26Å; Q51-S53 PolarHBondContact O-N 2.83Å |
| 54 | L | 50.8 | Low | 52.3 | Low | 156 Ų | 156 | 116.3 Ų | 116.3 | 82% | 0.817 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | -9.1 | 179 | -136 | 79.2 | 0 | 0 | 0 | 113.6 | Q51 L52 | Q51-L54 PolarHBondContact O-N 3.4Å; L52-L54 PolarHBondContact O-N 3.41Å |
| 55 | L | 52.2 | Low | 50.8 | Low | 138 Ų | 138 | 117.4 Ų | 117.4 | 72% | 0.723 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -106.4 | 73.1 | -179.9 | -62.4 | 179.9 | 0 | 0 | 0 | 109.8 | L52 L57 | L52-L55 PolarHBondContact O-N 2.94Å; L55-L57 PolarHBondContact O-N 2.73Å; L55-L57 VanDerWaalsContact O-N 3.08Å |
| 56 | G | 51.8 | Low | 49.1 | Very low | 73 Ų | 73 | 115.8 Ų | 115.8 | 75% | 0.753 | 75% | 0.746 | S | S | * | * | trans | -62.7 | 106.8 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 57 | L | 49.4 | Very low | 47.5 | Very low | 182 Ų | 182 | 113 Ų | 113 | 95% | 0.953 | 76% | 0.756 | S | S | * | * | trans | -121.8 | 86.9 | 159.6 | -68.9 | 177.8 | 0 | 0 | 0 | 107.8 | L55 | L55-L57 PolarHBondContact O-N 2.73Å; L55-L57 VanDerWaalsContact O-N 3.08Å | ||
| 58 | G | 41.2 | Very low | 46.3 | Very low | 75 Ų | 75 | 114.6 Ų | 114.6 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | trans | -139.9 | 89.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 59 | E | 41.1 | Very low | 45 | Very low | 207 Ų | 207 | 118.5 Ų | 118.5 | 97% | 0.967 | 79% | 0.786 | S | S | * | * | trans | -113.6 | 127.4 | 166.1 | -56.7 | 174.7 | 124.7 | 0 | 0 | 106.5 | ||||
| 60 | G | 40.5 | Very low | 43.5 | Very low | 72 Ų | 72 | 120.6 Ų | 120.6 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | cis | 169.7 | 105.5 | -8.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 61 | E | 39.7 | Very low | 41.8 | Very low | 197 Ų | 197 | 122.2 Ų | 122.2 | 92% | 0.921 | 82% | 0.82 | S | S | * | * | trans | -136.5 | 126.1 | -178.5 | -68.4 | -173.5 | 96.4 | 0 | 0 | 111.3 | G63 | E61-G63 PolarHBondContact O-N 2.83Š| ||
| 62 | D | 37.5 | Very low | 40.8 | Very low | 178 Ų | 178 | 122 Ų | 122 | 95% | 0.952 | 83% | 0.828 | S | S | * | * | trans | -77.9 | 102.4 | -174.5 | -76.4 | -62.4 | 0 | 0 | 0 | 113.1 | ||||
| 63 | G | 33.4 | Very low | 39.9 | Very low | 77 Ų | 77 | 124.7 Ų | 124.7 | 79% | 0.794 | 84% | 0.838 | S | S | * | * | trans | -104.1 | 82.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | E61 G65 | E61-G63 PolarHBondContact O-N 2.83Å; G63-G65 PolarHBondContact O-N 3.22Å | ||
| 64 | G | 34.8 | Very low | 38.8 | Very low | 84 Ų | 84 | 125.5 Ų | 125.5 | 87% | 0.866 | 83% | 0.833 | S | S | * | * | trans | -64.4 | 122.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 65 | G | 34.9 | Very low | 38 | Very low | 84 Ų | 84 | 127.9 Ų | 127.9 | 87% | 0.866 | 83% | 0.832 | S | S | * | * | trans | -86.1 | 167 | -171.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | G63 | G63-G65 PolarHBondContact O-N 3.22Š| ||
| 66 | G | 31.4 | Very low | 37.3 | Very low | 84 Ų | 84 | 126.9 Ų | 126.9 | 87% | 0.866 | 84% | 0.836 | S | S | * | * | trans | -168.1 | 119.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 67 | A | 34.8 | Very low | 36.6 | Very low | 96 Ų | 96 | 129.7 Ų | 129.7 | 79% | 0.793 | 83% | 0.834 | S | S | * | * | trans | -83.9 | 160.9 | 179 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 68 | P | 44.7 | Very low | 35.8 | Very low | 126 Ų | 126 | 127.3 Ų | 127.3 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | trans | -86.1 | 154.2 | -160.2 | 33.8 | -36.6 | 0 | 0 | 0 | 114.7 | ||||
| 69 | T | 33.7 | Very low | 35.5 | Very low | 138 Ų | 138 | 130 Ų | 130 | 85% | 0.847 | 82% | 0.819 | S | S | * | * | trans | -131.6 | 154 | 159.5 | 64.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 70 | T | 34 | Very low | 35.4 | Very low | 150 Ų | 150 | 125.8 Ų | 125.8 | 92% | 0.92 | 80% | 0.803 | S | S | * | * | trans | -97.3 | 135.1 | 178.8 | 44.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 71 | G | 31 | Very low | 35.3 | Very low | 78 Ų | 78 | 128.3 Ų | 128.3 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -161.8 | 141.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 72 | V | 34.4 | Very low | 35.2 | Very low | 138 Ų | 138 | 124.8 Ų | 124.8 | 84% | 0.836 | 79% | 0.787 | S | S | * | * | trans | -123.4 | 123.6 | -178.1 | 178.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 73 | Q | 34 | Very low | 35.2 | Very low | 181 Ų | 181 | 124.4 Ų | 124.4 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | trans | -178.9 | 136.2 | 139.5 | -101.2 | 157.2 | 32.8 | 0 | 0 | 115.1 | ||||
| 74 | D | 28.7 | Very low | 35.4 | Very low | 121 Ų | 121 | 127.6 Ų | 127.6 | 65% | 0.647 | 77% | 0.773 | S | S | * | * | trans | 19.5 | 140 | 141.7 | -92.6 | -77.6 | 0 | 0 | 0 | 124.2 | ||||
| 75 | R | 35.5 | Very low | 35.5 | Very low | 207 Ų | 207 | 132.1 Ų | 132.1 | 78% | 0.781 | 77% | 0.771 | S | S | * | * | trans | 87.1 | 127.4 | 134.4 | -76.3 | 160.5 | -160.3 | -157.7 | -3.1 | 123.3 | ||||
| 76 | S | 37.5 | Very low | 35.6 | Very low | 116 Ų | 116 | 135.1 Ų | 135.1 | 81% | 0.811 | 77% | 0.767 | S | S | * | * | trans | 74 | 158.8 | 141 | -65.2 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 77 | N | 36.4 | Very low | 35.8 | Very low | 132 Ų | 132 | 140 Ų | 140 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | cis | -168.5 | 167.8 | -32.5 | -176.7 | 34.3 | 0 | 0 | 0 | 107.7 | ||||
| 78 | N | 33.2 | Very low | 35.9 | Very low | 132 Ų | 132 | 139.2 Ų | 139.2 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | trans | 68.6 | 130 | 179.3 | -66.5 | -17.6 | 0 | 0 | 0 | 115 | ||||
| 79 | N | 35.4 | Very low | 35.4 | Very low | 131 Ų | 131 | 140.4 Ų | 140.4 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | cis | 88 | 118.7 | 18.7 | -160.2 | 23.3 | 0 | 0 | 0 | 116.6 | ||||
| 80 | N | 38.3 | Very low | 35.3 | Very low | 119 Ų | 119 | 138.2 Ų | 138.2 | 64% | 0.636 | 75% | 0.751 | S | S | * | * | trans | 98.7 | 130.6 | 139.3 | -116.9 | -11.2 | 0 | 0 | 0 | 122.9 | ||||
| 81 | N | 37.2 | Very low | 35.3 | Very low | 126 Ų | 126 | 138.2 Ų | 138.2 | 67% | 0.674 | 75% | 0.75 | S | S | * | * | trans | 65.6 | 102 | 143.8 | -77.6 | -28.2 | 0 | 0 | 0 | 123.2 | ||||
| 82 | N | 38.7 | Very low | 35.2 | Very low | 122 Ų | 122 | 138 Ų | 138 | 65% | 0.652 | 75% | 0.748 | S | S | * | * | 51.6 | 115.4 | 98.1 | -178.2 | 28 | 0 | 0 | 0 | 118.8 | |||||
| 83 | H | 37.4 | Very low | 34.9 | Very low | 170 Ų | 170 | 135.5 Ų | 135.5 | 79% | 0.787 | 75% | 0.75 | S | S | * | * | trans | -141.9 | 152.5 | 142.3 | -138.7 | 66.9 | 0 | 0 | 0 | 113.6 | ||||
| 84 | H | 38.3 | Very low | 34.7 | Very low | 144 Ų | 144 | 130.5 Ų | 130.5 | 67% | 0.667 | 75% | 0.747 | S | S | * | * | trans | -72.5 | 158.7 | 169.2 | -83.9 | 14.7 | 0 | 0 | 0 | 111.7 | ||||
| 85 | H | 36.9 | Very low | 35 | Very low | 180 Ų | 180 | 128.9 Ų | 128.9 | 83% | 0.833 | 76% | 0.758 | S | S | * | * | -155.8 | 138 | 117.6 | -107.3 | -69.5 | 0 | 0 | 0 | 112.2 | |||||
| 86 | N | 35.9 | Very low | 35.1 | Very low | 146 Ų | 146 | 126.4 Ų | 126.4 | 78% | 0.781 | 76% | 0.761 | S | S | * | * | trans | -76.1 | 146.2 | 162 | -88.4 | -51.3 | 0 | 0 | 0 | 109.6 | ||||
| 87 | H | 34.9 | Very low | 35.3 | Very low | 188 Ų | 188 | 125.7 Ų | 125.7 | 87% | 0.87 | 76% | 0.762 | S | S | * | * | trans | -147.2 | 144.4 | 146.5 | -140.8 | -74.1 | 0 | 0 | 0 | 111.3 | ||||
| 88 | A | 36.9 | Very low | 35.2 | Very low | 79 Ų | 79 | 123.9 Ų | 123.9 | 65% | 0.653 | 77% | 0.765 | S | S | * | * | trans | -121 | 140.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 89 | N | 34.6 | Very low | 35.3 | Very low | 151 Ų | 151 | 124.6 Ų | 124.6 | 81% | 0.807 | 77% | 0.768 | S | S | * | * | trans | -168.1 | 133.1 | 148.6 | -99.3 | -17.1 | 0 | 0 | 0 | 105.3 | ||||
| 90 | S | 32.1 | Very low | 35.5 | Very low | 92 Ų | 92 | 125 Ų | 125 | 64% | 0.643 | 77% | 0.769 | S | S | * | * | cis | 81.2 | 123.8 | 40.7 | -163.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 91 | V | 34.2 | Very low | 35.4 | Very low | 150 Ų | 150 | 127.7 Ų | 127.7 | 91% | 0.909 | 78% | 0.778 | S | S | * | * | trans | 53.1 | 148.5 | 178.5 | -66.7 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 92 | G | 28.6 | Very low | 35.3 | Very low | 73 Ų | 73 | 125 Ų | 125 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | cis | 158.4 | 144.5 | -7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 93 | G | 28.5 | Very low | 35.4 | Very low | 86 Ų | 86 | 128.7 Ų | 128.7 | 89% | 0.887 | 79% | 0.79 | S | S | * | * | trans | 76.6 | 164.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 94 | G | 30 | Very low | 35.7 | Very low | 75 Ų | 75 | 125.7 Ų | 125.7 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | cis | -154.8 | 154.2 | -7.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 95 | G | 33.8 | Very low | 36 | Very low | 87 Ų | 87 | 128.8 Ų | 128.8 | 90% | 0.897 | 80% | 0.8 | S | S | * | * | trans | -98.6 | 130.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 96 | D | 39 | Very low | 36.4 | Very low | 156 Ų | 156 | 127.8 Ų | 127.8 | 83% | 0.834 | 80% | 0.8 | S | S | * | * | trans | -112.1 | 146.2 | 160.6 | 64.2 | -52.2 | 0 | 0 | 0 | 110.4 | ||||
| 97 | A | 40.4 | Very low | 36.4 | Very low | 100 Ų | 100 | 127 Ų | 127 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | trans | -136.8 | 103.2 | -172.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 98 | A | 35.3 | Very low | 36.6 | Very low | 95 Ų | 95 | 121.7 Ų | 121.7 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -132.7 | 103.9 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 99 | I | 35.8 | Very low | 36.6 | Very low | 146 Ų | 146 | 125.7 Ų | 125.7 | 75% | 0.749 | 80% | 0.802 | S | S | * | * | 89.6 | 91.6 | 76.6 | -74.7 | -77.9 | 0 | 0 | 0 | 111.7 | |||||
| 100 | L | 37.5 | Very low | 37.1 | Very low | 139 Ų | 139 | 129.3 Ų | 129.3 | 73% | 0.728 | 81% | 0.806 | S | S | * | * | trans | 62.6 | 155.4 | 162.6 | -78.4 | 83.5 | 0 | 0 | 0 | 117.3 | ||||
| 101 | Q | 38.1 | Very low | 37.5 | Very low | 177 Ų | 177 | 132 Ų | 132 | 83% | 0.827 | 81% | 0.814 | S | S | * | * | cis | -141.9 | 130.3 | -2 | -147.5 | 160.2 | -16.6 | 0 | 0 | 109.7 | ||||
| 102 | G | 33.8 | Very low | 37.7 | Very low | 69 Ų | 69 | 129.8 Ų | 129.8 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | trans | -103.7 | -174.2 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 103 | K | 40.3 | Very low | 38.3 | Very low | 199 Ų | 199 | 131.8 Ų | 131.8 | 87% | 0.865 | 81% | 0.807 | S | S | * | * | trans | -159.1 | 155.2 | 155.1 | -101.4 | 145.5 | -175 | 177.2 | 0 | 110.5 | ||||
| 104 | S | 45.4 | Very low | 39 | Very low | 108 Ų | 108 | 131.7 Ų | 131.7 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | trans | 50.7 | 61.1 | 160.1 | 55.2 | 0 | 0 | 0 | 0 | 120.1 | L106 | S104-L106 PolarHBondContact O-N 2.96Š| ||
| 105 | K | 44.2 | Very low | 39.7 | Very low | 208 Ų | 208 | 131.7 Ų | 131.7 | 90% | 0.904 | 79% | 0.785 | S | S | * | * | trans | -73 | 59.5 | 151.5 | -78.5 | -169.1 | 174.2 | -176.3 | 0 | 111.4 | ||||
| 106 | L | 44.1 | Very low | 40.4 | Very low | 159 Ų | 159 | 137 Ų | 137 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | trans | -138.4 | 14.7 | -176.9 | -89.5 | 178.6 | 0 | 0 | 0 | 115.6 | S104 | S104-L106 PolarHBondContact O-N 2.96Š| ||
| 107 | C | 37.4 | Very low | 40.6 | Very low | 131 Ų | 131 | 135.6 Ų | 135.6 | 89% | 0.885 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -136 | 49.6 | 169.7 | -155.2 | 0 | 0 | 0 | 0 | 111.8 | ||
| 108 | A | 37.6 | Very low | 41.3 | Very low | 75 Ų | 75 | 141.5 Ų | 141.5 | 62% | 0.62 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -144 | 21.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 109 | L | 38.2 | Very low | 42 | Very low | 163 Ų | 163 | 139.6 Ų | 139.6 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -129.7 | 21.3 | -176.1 | -69.3 | 176.9 | 0 | 0 | 0 | 113.2 | ||
| 110 | Y | 44.5 | Very low | 43.1 | Very low | 227 Ų | 227 | 144.8 Ų | 144.8 | 89% | 0.89 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -125.4 | -22.8 | 174.3 | -159.1 | -108.3 | 0 | 0 | 0 | 114.9 | ||
| 111 | D | 40.8 | Very low | 44.5 | Very low | 150 Ų | 150 | 141.7 Ų | 141.7 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -119.5 | 59.5 | 173.8 | -145 | -37.4 | 0 | 0 | 0 | 112 | ||
| 112 | S | 38.3 | Very low | 46.6 | Very low | 102 Ų | 102 | 137.9 Ų | 137.9 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | trans | -153.6 | 37.5 | 171.4 | -76.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 113 | S | 41.2 | Very low | 49.3 | Very low | 116 Ų | 116 | 140 Ų | 140 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | trans | -114.9 | 37.4 | 168.7 | -149.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 114 | S | 44 | Very low | 51.8 | Low | 84 Ų | 84 | 133.4 Ų | 133.4 | 59% | 0.587 | 75% | 0.753 | S | S | * | * | trans | -113.4 | 38.4 | 155.6 | -65.3 | 0 | 0 | 0 | 0 | 110.3 | E116 K175 | S114-E116 PolarHBondContact O-N 3.4Å; S114-K175 PolarHBondContact OG-NZ 2.87Å | ||
| 115 | A | 43.1 | Very low | 54.2 | Low | 74 Ų | 74 | 132.2 Ų | 132.2 | 61% | 0.612 | 74% | 0.742 | S | S | * | * | trans | -61.5 | 129.8 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109 | T117 | A115-T117 PolarHBondContact O-N 3.4Š| ||
| 116 | E | 50 | Low | 56.7 | Low | 200 Ų | 200 | 124.6 Ų | 124.6 | 94% | 0.935 | 71% | 0.709 | S | S | * | * | trans | -70.7 | 67.9 | -176.8 | -70.6 | -157.6 | 97.5 | 0 | 0 | 113 | S114 K118 | S114-E116 PolarHBondContact O-N 3.4Å; E116-K118 PolarHBondContact O-N 3.11Å | ||
| 117 | T | 42.9 | Very low | 59.2 | Low | 125 Ų | 125 | 120.7 Ų | 120.7 | 77% | 0.767 | 69% | 0.694 | S | S | * | * | trans | -68.2 | 103 | 158.6 | 43.9 | 0 | 0 | 0 | 0 | 107.9 | A115 G119 | A115-T117 PolarHBondContact O-N 3.4Å; T117-G119 PolarHBondContact O-N 2.84Å | ||
| 118 | K | 53.8 | Low | 62.1 | Low | 224 Ų | 224 | 114.5 Ų | 114.5 | 97% | 0.974 | 65% | 0.652 | S | S | * | * | trans | -71.1 | 54.4 | 172.3 | -154.8 | 165.4 | -171.7 | 165.7 | 0 | 110.2 | E116 | E116-K118 PolarHBondContact O-N 3.11Š| ||
| 119 | G | 51.4 | Low | 64.9 | Low | 56 Ų | 56 | 115.4 Ų | 115.4 | 58% | 0.577 | 65% | 0.652 | S | S | * | * | trans | -119.1 | 151.9 | -166.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | T117 G121 | T117-G119 PolarHBondContact O-N 2.84Å; G119-G121 PolarHBondContact O-N 3.18Å | ||
| 120 | R | 59.3 | Low | 67.7 | Low | 254 Ų | 254 | 108 Ų | 108 | 96% | 0.958 | 61% | 0.614 | S | S | * | * | trans | -85.3 | 112.7 | -162.8 | -57.1 | 177.5 | -170.4 | -161.1 | 1.3 | 111.8 | C122 | R120-C122 PolarHBondContact O-N 3.49Š| ||
| 121 | G | 65.3 | Low | 70.1 | Confident | 75 Ų | 75 | 101.8 Ų | 101.8 | 77% | 0.773 | 60% | 0.601 | S | S | * | * | trans | 53.3 | 45.4 | 150.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | G119 | G119-G121 PolarHBondContact O-N 3.18Š| ||
| 122 | C | 82.2 | Confident | 72.6 | Confident | 96 Ų | 96 | 96.2 Ų | 96.2 | 65% | 0.649 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 145.3 | 169.1 | 57.1 | 0 | 0 | 0 | 0 | 111.1 | R120 | R120-C122 PolarHBondContact O-N 3.49Š|
| 123 | N | 90.6 | Very high | 75.3 | Confident | 114 Ų | 114 | 94.7 Ų | 94.7 | 61% | 0.61 | 56% | 0.563 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 122.7 | 169.8 | 53.9 | -24.9 | 0 | 0 | 0 | 109.9 | T172 G173 | N123-T172 HydrophobicContact CB-CG2 4.3Å; N123-G173 CarbonylContact C-O 3.45Å; N123-G173 VanDerWaalsContact CA-O 3.22Å; N123-G173 WeakPolarHBondContact CA-O 3.27Å |
| 124 | I | 94.4 | Very high | 77.8 | Confident | 61 Ų | 61 | 94.3 Ų | 94.3 | 31% | 0.313 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 159.8 | 171.7 | 69.3 | 168.5 | 0 | 0 | 0 | 109.9 | T172 G173 K175 V178 | I124-T172 VanDerWaalsContact O-CA 3.32Å; I124-T172 WeakPolarHBondContact O-CA 3.25Å; I124-G173 PolarHBondContact N-O 3.38Å; I124-G173 PolarHBondContact O-N 3.33Å; I124-K175 HydrophobicContact CD1-CB 4.16Å; I124-K175 HydrophobicContact CD1-CG 4.08Å; I124-V178 HydrophobicContact CD1-CB 4.13Å; I124-V178 HydrophobicContact CD1-CG1 4.06Å; I124-V178 HydrophobicContact CG1-CB 4.09Å; I124-V178 HydrophobicContact CG1-CG1 4.18Å; I124-V178 HydrophobicContact CG1-CG2 3.96Å |
| 125 | T | 95.7 | Very high | 80.2 | Confident | 83 Ų | 83 | 91 Ų | 91 | 51% | 0.509 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 132.5 | 168.2 | -60.2 | 0 | 0 | 0 | 0 | 109.9 | I171 T172 | T125-I171 CarbonylContact C-O 3.49Å; T125-I171 WeakPolarHBondContact CA-O 3.47Å; T125-T172 WeakPolarHBondContact CG2-OG1 3.22Å; T125-T172 WeakPolarHBondContact OG1-CG2 3.46Å; T125-T172 PolarHBondContact OG1-OG1 3.27Å |
| 126 | E | 96.3 | Very high | 82.7 | Confident | 48 Ų | 48 | 88.1 Ų | 88.1 | 22% | 0.224 | 50% | 0.498 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 144.8 | -177.5 | -170.3 | 174.5 | -145.8 | 0 | 0 | 111 | I171 V178 R182 | E126-I171 PolarHBondContact N-O 2.96Å; E126-I171 PolarHBondContact O-N 3.33Å; E126-V178 HydrophobicContact CB-CG1 3.62Å; E126-V178 WeakPolarHBondContact OE2-CG1 3.46Å; E126-R182 WeakPolarHBondContact OE1-CD 3.23Å; E126-R182 IonicContact OE1-CZ 3.49Å; E126-R182 IonicContact OE1-NE 3.67Å; E126-R182 IonicContact OE1-NH1 2.67Å; E126-R182 PolarHBondContact OE1-NH1 2.93Å; E126-R182 WeakPolarHBondContact OE2-CD 3.41Å |
| 127 | C | 96.4 | Very high | 84.8 | Confident | 77 Ų | 77 | 81.5 Ų | 81.5 | 52% | 0.52 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 130.8 | 178.1 | -64 | 0 | 0 | 0 | 0 | 110.4 | V168 F169 | C127-V168 HydrophobicContact CB-CG1 3.88Å; C127-F169 CarbonylContact C-O 3.52Å; C127-F169 WeakPolarHBondContact CA-O 3.16Å |
| 128 | V | 97.4 | Very high | 87.3 | Confident | 0 Ų | 0 | 78.6 Ų | 78.6 | 0% | 0 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 102.6 | -177 | -175.4 | 0 | 0 | 0 | 0 | 109.9 | V168 F169 I171 R182 I185 I186 | V128-V168 WeakPolarHBondContact O-CA 3.43Å; V128-F169 PolarHBondContact N-O 3.37Å; V128-F169 PolarHBondContact O-N 3.44Å; V128-I171 HydrophobicContact CB-CD1 4.43Å; V128-I171 HydrophobicContact CG2-CD1 3.54Å; V128-I171 HydrophobicContact CG2-CG1 4.23Å; V128-R182 HydrophobicContact CG1-CG 4.33Å; V128-R182 HydrophobicContact CG2-CB 3.78Å; V128-R182 HydrophobicContact CG2-CG 3.65Å; V128-I185 HydrophobicContact CB-CG2 4.5Å; V128-I185 HydrophobicContact CG1-CB 4.24Å; V128-I185 HydrophobicContact CG1-CG2 3.71Å; V128-I186 HydrophobicContact CG1-CD1 4.19Å; V128-I186 HydrophobicContact CG1-CG1 3.75Å |
| 129 | P | 96.7 | Very high | 89.3 | Confident | 95 Ų | 95 | 68.4 Ų | 68.4 | 62% | 0.617 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 149.5 | 176.2 | 31.5 | -34.6 | 0 | 0 | 0 | 111.3 | V168 | P129-V168 HydrophobicContact CB-CG2 4.32Å |
| 130 | V | 96.6 | Very high | 91.5 | Very high | 7 Ų | 7 | 67 Ų | 67 | 4% | 0.042 | 39% | 0.392 | C | S | . | . | trans | -133.4 | 142.1 | -178 | 167.3 | 0 | 0 | 0 | 0 | 109.3 | S132 H135 V136 I139 P167 F169 I185 A189 | V130-S132 VanDerWaalsContact C-N 3.27Å; V130-S132 PolarHBondContact O-N 3.43Å; V130-H135 HydrophobicContact CG1-CB 3.44Å; V130-H135 VanDerWaalsContact CG1-CB 3.44Å; V130-V136 HydrophobicContact CB-CG2 4.18Å; V130-V136 HydrophobicContact CG1-CG2 4.03Å; V130-I139 HydrophobicContact CG1-CD1 3.94Å; V130-I139 HydrophobicContact CG2-CD1 4.14Å; V130-P167 WeakPolarHBondContact CB-O 3.45Å; V130-P167 PolarHBondContact N-O 2.92Å; V130-P167 WeakPolarHBondContact O-CB 3.4Å; V130-P167 WeakPolarHBondContact O-CG 3.44Å; V130-F169 HydrophobicContact CG2-CD2 3.85Å; V130-F169 HydrophobicContact CG2-CE2 3.92Å; V130-I185 HydrophobicContact CG2-CG2 3.72Å; V130-A189 HydrophobicContact CG1-CB 4Å; V130-A189 HydrophobicContact CG2-CB 4.36Å | ||
| 131 | P | 94.8 | Very high | 93.2 | Very high | 96 Ų | 96 | 55.7 Ų | 55.7 | 62% | 0.623 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -62.8 | -20.8 | -165.2 | -26.8 | 36.4 | 0 | 0 | 0 | 116.9 | ||
| 132 | S | 94.1 | Very high | 94.5 | Very high | 34 Ų | 34 | 63.1 Ų | 63.1 | 24% | 0.238 | 36% | 0.359 | C | S | . | . | trans | -159.3 | 165 | 169.9 | 77.9 | 0 | 0 | 0 | 0 | 112.8 | V130 E134 H135 V136 | V130-S132 VanDerWaalsContact C-N 3.27Å; V130-S132 PolarHBondContact O-N 3.43Å; S132-E134 PolarHBondContact O-N 3.05Å; S132-E134 PolarHBondContact OG-N 2.99Å; S132-H135 PolarHBondContact N-ND1 2.78Å; S132-H135 WeakPolarHBondContact O-CB 3.22Å; S132-H135 PolarHBondContact O-N 3.48Å; S132-H135 VanDerWaalsContact O-N 3.17Å; S132-H135 PolarHBondContact OG-N 2.71Å; S132-H135 PolarHBondContact OG-ND1 3.44Å; S132-V136 PolarHBondContact O-N 2.82Å; S132-V136 VanDerWaalsContact O-N 3.14Å | ||
| 133 | S | 94.3 | Very high | 95 | Very high | 70 Ų | 70 | 67.4 Ų | 67.4 | 49% | 0.49 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.1 | -19.8 | 173.2 | 54.6 | 0 | 0 | 0 | 0 | 113.8 | A137 | S133-A137 PolarHBondContact O-N 2.88Å; S133-A137 VanDerWaalsContact O-N 3.13Å |
| 134 | E | 93.7 | Very high | 95.1 | Very high | 108 Ų | 108 | 62.5 Ų | 62.5 | 51% | 0.505 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -75.5 | -40.5 | 172.4 | -54.5 | -164.5 | 154.4 | 0 | 0 | 112 | S132 V136 A137 E138 R196 | S132-E134 PolarHBondContact O-N 3.05Å; S132-E134 PolarHBondContact OG-N 2.99Å; E134-V136 VanDerWaalsContact C-N 3.28Å; E134-V136 PolarHBondContact O-N 2.99Å; E134-A137 WeakPolarHBondContact O-CB 3.4Å; E134-A137 PolarHBondContact O-N 2.85Å; E134-A137 VanDerWaalsContact O-N 3.1Å; E134-E138 PolarHBondContact O-N 3.01Å; E134-R196 IonicContact OE2-CZ 3.47Å; E134-R196 IonicContact OE2-NH1 3.35Å; E134-R196 PolarHBondContact OE2-NH1 2.95Å; E134-R196 IonicContact OE2-NH2 3.18Å; E134-R196 PolarHBondContact OE2-NH2 3.35Å |
| 135 | H | 94.9 | Very high | 95.2 | Very high | 15 Ų | 15 | 63 Ų | 63 | 7% | 0.069 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60.9 | -40.3 | 171.4 | -63.3 | 105.5 | 0 | 0 | 0 | 110.7 | V130 S132 A137 E138 I139 S193 R196 | V130-H135 HydrophobicContact CG1-CB 3.44Å; V130-H135 VanDerWaalsContact CG1-CB 3.44Å; S132-H135 PolarHBondContact N-ND1 2.78Å; S132-H135 WeakPolarHBondContact O-CB 3.22Å; S132-H135 PolarHBondContact O-N 3.48Å; S132-H135 VanDerWaalsContact O-N 3.17Å; S132-H135 PolarHBondContact OG-N 2.71Å; S132-H135 PolarHBondContact OG-ND1 3.44Å; H135-A137 VanDerWaalsContact C-N 3.33Å; H135-A137 PolarHBondContact O-N 3.45Å; H135-E138 PolarHBondContact O-N 3.45Å; H135-I139 WeakPolarHBondContact O-CB 3.45Å; H135-I139 WeakPolarHBondContact O-CD1 3.49Å; H135-I139 WeakPolarHBondContact O-CG1 3.44Å; H135-I139 PolarHBondContact O-N 3.28Å; H135-S193 PolarHBondContact NE2-OG 2.83Å; H135-R196 VanDerWaalsContact NE2-CD 3.33Å; H135-R196 WeakPolarHBondContact NE2-CD 3.49Å |
| 136 | V | 95.9 | Very high | 95.3 | Very high | 12 Ų | 12 | 63.6 Ų | 63.6 | 7% | 0.073 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -55.2 | -47.1 | 170.9 | 172.9 | 0 | 0 | 0 | 0 | 111 | V130 S132 E134 E138 I139 V140 T160 P161 P167 F169 | V130-V136 HydrophobicContact CB-CG2 4.18Å; V130-V136 HydrophobicContact CG1-CG2 4.03Å; S132-V136 PolarHBondContact O-N 2.82Å; S132-V136 VanDerWaalsContact O-N 3.14Å; E134-V136 VanDerWaalsContact C-N 3.28Å; E134-V136 PolarHBondContact O-N 2.99Å; V136-E138 PolarHBondContact O-N 3.5Å; V136-I139 PolarHBondContact O-N 3.41Å; V136-V140 HydrophobicContact CG1-CG2 4.29Å; V136-V140 WeakPolarHBondContact O-CB 3.49Å; V136-V140 WeakPolarHBondContact O-CG2 3.46Å; V136-V140 PolarHBondContact O-N 3.25Å; V136-T160 HydrophobicContact CG1-CG2 4.24Å; V136-P161 HydrophobicContact CG1-CG 4.04Å; V136-P161 HydrophobicContact CG2-CG 4.38Å; V136-P167 HydrophobicContact CG2-CB 3.64Å; V136-F169 HydrophobicContact CB-CE2 4.38Å; V136-F169 HydrophobicContact CB-CZ 4.32Å; V136-F169 HydrophobicContact CG1-CE1 4.42Å; V136-F169 HydrophobicContact CG1-CE2 4.23Å; V136-F169 HydrophobicContact CG1-CZ 3.79Å; V136-F169 HydrophobicContact CG2-CE2 3.97Å; V136-F169 HydrophobicContact CG2-CZ 4.37Å |
| 137 | A | 94.9 | Very high | 95.3 | Very high | 62 Ų | 62 | 61.6 Ų | 61.6 | 51% | 0.512 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.3 | -37.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | S133 E134 H135 G141 | S133-A137 PolarHBondContact O-N 2.88Å; S133-A137 VanDerWaalsContact O-N 3.13Å; E134-A137 WeakPolarHBondContact O-CB 3.4Å; E134-A137 PolarHBondContact O-N 2.85Å; E134-A137 VanDerWaalsContact O-N 3.1Å; H135-A137 VanDerWaalsContact C-N 3.33Å; H135-A137 PolarHBondContact O-N 3.45Å; A137-G141 PolarHBondContact O-N 3.47Å |
| 138 | E | 95 | Very high | 95.4 | Very high | 64 Ų | 64 | 63.9 Ų | 63.9 | 30% | 0.299 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -71.3 | -34.5 | 177.3 | -73.7 | 176.9 | -161.4 | 0 | 0 | 113 | E134 H135 V136 K146 F192 R196 | E134-E138 PolarHBondContact O-N 3.01Å; H135-E138 PolarHBondContact O-N 3.45Å; V136-E138 PolarHBondContact O-N 3.5Å; E138-K146 WeakPolarHBondContact O-CD 3.22Å; E138-K146 PolarHBondContact O-NZ 3.23Å; E138-F192 HydrophobicContact CB-CD1 4.39Å; E138-F192 HydrophobicContact CB-CD2 3.84Å; E138-F192 HydrophobicContact CB-CE2 4.05Å; E138-F192 HydrophobicContact CB-CG 4.08Å; E138-F192 HydrophobicContact CB-CZ 4.46Å; E138-F192 WeakPolarHBondContact OE2-CB 3.32Å; E138-F192 WeakPolarHBondContact OE2-CG 3.29Å; E138-R196 IonicContact OE1-CZ 3.56Å; E138-R196 IonicContact OE1-NE 2.75Å; E138-R196 PolarHBondContact OE1-NE 3.27Å; E138-R196 IonicContact OE1-NH2 2.71Å; E138-R196 PolarHBondContact OE1-NH2 3.43Å; E138-R196 IonicContact OE2-NE 3.39Å; E138-R196 PolarHBondContact OE2-NE 3.21Å |
| 139 | I | 96.3 | Very high | 95.3 | Very high | 9 Ų | 9 | 66.8 Ų | 66.8 | 5% | 0.046 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -70 | -42.3 | 172.2 | -67.2 | 163.1 | 0 | 0 | 0 | 110.9 | V130 H135 V136 K146 F169 I185 A188 A189 F192 | V130-I139 HydrophobicContact CG1-CD1 3.94Å; V130-I139 HydrophobicContact CG2-CD1 4.14Å; H135-I139 WeakPolarHBondContact O-CB 3.45Å; H135-I139 WeakPolarHBondContact O-CD1 3.49Å; H135-I139 WeakPolarHBondContact O-CG1 3.44Å; H135-I139 PolarHBondContact O-N 3.28Å; V136-I139 PolarHBondContact O-N 3.41Å; I139-K146 WeakPolarHBondContact O-CB 3.41Å; I139-F169 HydrophobicContact CB-CZ 4.3Å; I139-F169 HydrophobicContact CD1-CE2 4.27Å; I139-F169 HydrophobicContact CG2-CE2 4.21Å; I139-F169 HydrophobicContact CG2-CZ 3.9Å; I139-I185 HydrophobicContact CD1-CG2 4.39Å; I139-I185 HydrophobicContact CG2-CG1 4.46Å; I139-A188 HydrophobicContact CG1-CB 4Å; I139-A189 HydrophobicContact CD1-CB 3.97Å; I139-F192 HydrophobicContact CG1-CD2 3.92Å; I139-F192 HydrophobicContact CG1-CE2 3.75Å |
| 140 | V | 96.4 | Very high | 95.4 | Very high | 27 Ų | 27 | 63.2 Ų | 63.2 | 16% | 0.164 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.7 | -41.9 | 177.3 | 167.6 | 0 | 0 | 0 | 0 | 111.7 | V136 G144 K146 I147 T160 F169 | V136-V140 HydrophobicContact CG1-CG2 4.29Å; V136-V140 WeakPolarHBondContact O-CB 3.49Å; V136-V140 WeakPolarHBondContact O-CG2 3.46Å; V136-V140 PolarHBondContact O-N 3.25Å; V140-G144 CarbonylContact O-C 3.57Å; V140-G144 VanDerWaalsContact O-C 3.29Å; V140-G144 VanDerWaalsContact O-CA 3.31Å; V140-G144 WeakPolarHBondContact O-CA 3.43Å; V140-K146 PolarHBondContact O-N 3.02Å; V140-I147 HydrophobicContact CB-CG2 4.37Å; V140-I147 HydrophobicContact CG1-CG2 3.99Å; V140-I147 HydrophobicContact CG2-CB 4.47Å; V140-I147 HydrophobicContact CG2-CG2 4.36Å; V140-I147 PolarHBondContact O-N 3.36Å; V140-T160 HydrophobicContact CG2-CG2 3.5Å; V140-T160 VanDerWaalsContact CG2-CG2 3.5Å; V140-F169 HydrophobicContact CG2-CE1 4.09Å; V140-F169 HydrophobicContact CG2-CZ 4.09Å |
| 141 | G | 94.8 | Very high | 95.4 | Very high | 17 Ų | 17 | 66.6 Ų | 66.6 | 18% | 0.175 | 35% | 0.353 | C | S | . | . | trans | 74.3 | 169.9 | -180 | 0 | 0 | 0 | 0 | 0 | 114 | A137 Q143 G144 | A137-G141 PolarHBondContact O-N 3.47Å; G141-Q143 PolarHBondContact O-N 3.05Å; G141-G144 PolarHBondContact O-N 3.04Å | ||
| 142 | R | 92.9 | Very high | 95.5 | Very high | 230 Ų | 230 | 65.4 Ų | 65.4 | 87% | 0.868 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -57.2 | 130.6 | 179.6 | -64.7 | -178.8 | 179.5 | 178 | -0.7 | 110.1 | G144 C145 | R142-G144 PolarHBondContact O-N 3.34Å; R142-C145 WeakPolarHBondContact O-CB 3.4Å; R142-C145 PolarHBondContact O-N 3.33Å; R142-C145 PolarHBondContact O-SG 3.05Å |
| 143 | Q | 92.2 | Very high | 95.6 | Very high | 186 Ų | 186 | 69.9 Ų | 69.9 | 87% | 0.869 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | 55 | 20.2 | -176.9 | -53.2 | 178.4 | 1.3 | 0 | 0 | 114.9 | G141 C145 K148 | G141-Q143 PolarHBondContact O-N 3.05Å; Q143-C145 VanDerWaalsContact C-N 3.28Å; Q143-C145 PolarHBondContact O-N 3.12Å; Q143-K148 PolarHBondContact O-NZ 2.92Å |
| 144 | G | 94.1 | Very high | 95.7 | Very high | 12 Ų | 12 | 66.7 Ų | 66.7 | 12% | 0.124 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | 68.6 | 20.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | V140 G141 R142 K146 I147 K148 | V140-G144 CarbonylContact O-C 3.57Å; V140-G144 VanDerWaalsContact O-C 3.29Å; V140-G144 VanDerWaalsContact O-CA 3.31Å; V140-G144 WeakPolarHBondContact O-CA 3.43Å; G141-G144 PolarHBondContact O-N 3.04Å; R142-G144 PolarHBondContact O-N 3.34Å; G144-K146 PolarHBondContact O-N 2.92Å; G144-I147 WeakPolarHBondContact O-CG2 3.47Å; G144-I147 PolarHBondContact O-N 3.47Å; G144-K148 WeakPolarHBondContact O-CB 3.39Å; G144-K148 WeakPolarHBondContact O-CD 3.25Å; G144-K148 VanDerWaalsContact O-CG 3.22Å; G144-K148 WeakPolarHBondContact O-CG 3.35Å; G144-K148 PolarHBondContact O-N 2.67Å |
| 145 | C | 96.6 | Very high | 95.8 | Very high | 72 Ų | 72 | 66.8 Ų | 66.8 | 49% | 0.486 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61 | -41 | -173.9 | 65.3 | 0 | 0 | 0 | 0 | 113.1 | R142 Q143 A149 | R142-C145 WeakPolarHBondContact O-CB 3.4Å; R142-C145 PolarHBondContact O-N 3.33Å; R142-C145 PolarHBondContact O-SG 3.05Å; Q143-C145 VanDerWaalsContact C-N 3.28Å; Q143-C145 PolarHBondContact O-N 3.12Å; C145-A149 WeakPolarHBondContact O-CB 3.31Å; C145-A149 PolarHBondContact O-N 3.46Å |
| 146 | K | 96.8 | Very high | 95.9 | Very high | 95 Ų | 95 | 66.4 Ų | 66.4 | 41% | 0.413 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -68.8 | -47.2 | 179.5 | -68.5 | -177.7 | -178.1 | 179.4 | 0 | 111.6 | E138 I139 V140 G144 K148 A149 L150 F192 | E138-K146 WeakPolarHBondContact O-CD 3.22Å; E138-K146 PolarHBondContact O-NZ 3.23Å; I139-K146 WeakPolarHBondContact O-CB 3.41Å; V140-K146 PolarHBondContact O-N 3.02Å; G144-K146 PolarHBondContact O-N 2.92Å; K146-K148 VanDerWaalsContact C-N 3.31Å; K146-K148 PolarHBondContact O-N 2.88Å; K146-A149 WeakPolarHBondContact O-CB 3.4Å; K146-A149 PolarHBondContact O-N 2.74Å; K146-A149 VanDerWaalsContact O-N 3.16Å; K146-L150 PolarHBondContact O-N 3.39Å; K146-F192 VanDerWaalsContact NZ-CZ 3.34Å |
| 147 | I | 96.9 | Very high | 96 | Very high | 5 Ų | 5 | 73.2 Ų | 73.2 | 3% | 0.026 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -67.4 | -32.3 | 179.4 | -168.1 | 63.3 | 0 | 0 | 0 | 112.2 | V140 G144 L150 R151 I158 F169 | V140-I147 HydrophobicContact CB-CG2 4.37Å; V140-I147 HydrophobicContact CG1-CG2 3.99Å; V140-I147 HydrophobicContact CG2-CB 4.47Å; V140-I147 HydrophobicContact CG2-CG2 4.36Å; V140-I147 PolarHBondContact O-N 3.36Å; G144-I147 WeakPolarHBondContact O-CG2 3.47Å; G144-I147 PolarHBondContact O-N 3.47Å; I147-L150 HydrophobicContact CD1-CD2 4.26Å; I147-L150 PolarHBondContact O-N 2.88Å; I147-R151 WeakPolarHBondContact O-CB 3.48Å; I147-R151 VanDerWaalsContact O-CG 3.25Å; I147-R151 WeakPolarHBondContact O-CG 3.21Å; I147-R151 PolarHBondContact O-N 3.1Å; I147-I158 HydrophobicContact CD1-CB 4.09Å; I147-I158 HydrophobicContact CD1-CD1 3.76Å; I147-I158 HydrophobicContact CD1-CG2 3.89Å; I147-F169 HydrophobicContact CD1-CE1 4.33Å |
| 148 | K | 97.1 | Very high | 96.2 | Very high | 126 Ų | 126 | 70.2 Ų | 70.2 | 55% | 0.548 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.4 | -47.4 | 169.4 | -74.1 | 164.7 | -179.4 | 163.5 | 0 | 111.3 | Q143 G144 K146 L150 R151 A152 | Q143-K148 PolarHBondContact O-NZ 2.92Å; G144-K148 WeakPolarHBondContact O-CB 3.39Å; G144-K148 WeakPolarHBondContact O-CD 3.25Å; G144-K148 VanDerWaalsContact O-CG 3.22Å; G144-K148 WeakPolarHBondContact O-CG 3.35Å; G144-K148 PolarHBondContact O-N 2.67Å; K146-K148 VanDerWaalsContact C-N 3.31Å; K146-K148 PolarHBondContact O-N 2.88Å; K148-L150 VanDerWaalsContact C-N 3.34Å; K148-L150 PolarHBondContact O-N 2.94Å; K148-R151 PolarHBondContact O-N 2.91Å; K148-A152 WeakPolarHBondContact O-CB 3.23Å; K148-A152 PolarHBondContact O-N 2.92Å |
| 149 | A | 97.3 | Very high | 96.2 | Very high | 60 Ų | 60 | 71.8 Ų | 71.8 | 50% | 0.496 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.9 | -38.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | C145 K146 A152 K153 | C145-A149 WeakPolarHBondContact O-CB 3.31Å; C145-A149 PolarHBondContact O-N 3.46Å; K146-A149 WeakPolarHBondContact O-CB 3.4Å; K146-A149 PolarHBondContact O-N 2.74Å; K146-A149 VanDerWaalsContact O-N 3.16Å; A149-A152 PolarHBondContact O-N 2.93Å; A149-K153 VanDerWaalsContact O-CB 3.29Å; A149-K153 WeakPolarHBondContact O-CB 3.46Å; A149-K153 PolarHBondContact O-N 3.22Å |
| 150 | L | 97.2 | Very high | 96.2 | Very high | 20 Ų | 20 | 73.4 Ų | 73.4 | 11% | 0.105 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -69.6 | -43.6 | 178.4 | -173.8 | 64.1 | 0 | 0 | 0 | 112.6 | K146 I147 K148 A152 K153 T154 I158 E184 I185 | K146-L150 PolarHBondContact O-N 3.39Å; I147-L150 HydrophobicContact CD1-CD2 4.26Å; I147-L150 PolarHBondContact O-N 2.88Å; K148-L150 VanDerWaalsContact C-N 3.34Å; K148-L150 PolarHBondContact O-N 2.94Å; L150-A152 VanDerWaalsContact C-N 3.28Å; L150-A152 PolarHBondContact O-N 3.47Å; L150-K153 PolarHBondContact O-N 3.42Å; L150-T154 HydrophobicContact CD1-CG2 4.07Å; L150-T154 PolarHBondContact O-N 2.92Å; L150-T154 PolarHBondContact O-OG1 3.33Å; L150-I158 HydrophobicContact CD2-CD1 4.05Å; L150-I158 HydrophobicContact CG-CD1 4.1Å; L150-E184 HydrophobicContact CD1-CB 3.68Å; L150-E184 HydrophobicContact CD1-CG 4.01Å; L150-E184 HydrophobicContact CD2-CB 4.43Å; L150-I185 HydrophobicContact CD2-CD1 4.23Å; L150-I185 HydrophobicContact CD2-CG1 3.68Å |
| 151 | R | 97.4 | Very high | 96.2 | Very high | 78 Ų | 78 | 72.9 Ų | 72.9 | 29% | 0.294 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -56.9 | -42.1 | 171.9 | -72.2 | 175.2 | -169.9 | 158.6 | 5.3 | 111.3 | I147 K148 N155 T156 I158 T160 | I147-R151 WeakPolarHBondContact O-CB 3.48Å; I147-R151 VanDerWaalsContact O-CG 3.25Å; I147-R151 WeakPolarHBondContact O-CG 3.21Å; I147-R151 PolarHBondContact O-N 3.1Å; K148-R151 PolarHBondContact O-N 2.91Å; R151-N155 VanDerWaalsContact O-CA 3.32Å; R151-N155 WeakPolarHBondContact O-CA 3.14Å; R151-N155 PolarHBondContact O-N 3.19Å; R151-T156 WeakPolarHBondContact CB-O 3.44Å; R151-T156 WeakPolarHBondContact CG-O 3.4Å; R151-T156 PolarHBondContact O-N 2.95Å; R151-I158 HydrophobicContact CG-CB 3.97Å; R151-I158 HydrophobicContact CG-CD1 3.86Å; R151-I158 HydrophobicContact CG-CG1 3.93Å; R151-I158 PolarHBondContact NE-O 2.94Å; R151-I158 PolarHBondContact NH2-O 3.41Å; R151-T160 PolarHBondContact NH2-OG1 2.83Å |
| 152 | A | 97.1 | Very high | 96 | Very high | 71 Ų | 71 | 76.2 Ų | 76.2 | 59% | 0.587 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -69.5 | -42.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | K148 A149 L150 T154 | K148-A152 WeakPolarHBondContact O-CB 3.23Å; K148-A152 PolarHBondContact O-N 2.92Å; A149-A152 PolarHBondContact O-N 2.93Å; L150-A152 VanDerWaalsContact C-N 3.28Å; L150-A152 PolarHBondContact O-N 3.47Å; A152-T154 VanDerWaalsContact C-N 3.28Å; A152-T154 PolarHBondContact O-N 2.82Å |
| 153 | K | 96.3 | Very high | 95.7 | Very high | 128 Ų | 128 | 77.5 Ų | 77.5 | 56% | 0.557 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -60.8 | -35.5 | 177.2 | 179.2 | -178.1 | 171.6 | -173.7 | 0 | 112.6 | A149 L150 E184 | A149-K153 VanDerWaalsContact O-CB 3.29Å; A149-K153 WeakPolarHBondContact O-CB 3.46Å; A149-K153 PolarHBondContact O-N 3.22Å; L150-K153 PolarHBondContact O-N 3.42Å; K153-E184 IonicContact NZ-OE1 2.63Å; K153-E184 PolarHBondContact NZ-OE1 3.13Å; K153-E184 IonicContact NZ-OE2 2.79Å; K153-E184 PolarHBondContact NZ-OE2 3.1Å |
| 154 | T | 96.4 | Very high | 95.4 | Very high | 3 Ų | 3 | 72.3 Ų | 72.3 | 2% | 0.018 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -109 | 1 | -173.3 | 60.9 | 0 | 0 | 0 | 0 | 113.9 | L150 A152 T156 D177 L180 A181 | L150-T154 HydrophobicContact CD1-CG2 4.07Å; L150-T154 PolarHBondContact O-N 2.92Å; L150-T154 PolarHBondContact O-OG1 3.33Å; A152-T154 VanDerWaalsContact C-N 3.28Å; A152-T154 PolarHBondContact O-N 2.82Å; T154-T156 WeakPolarHBondContact O-CG2 3.33Å; T154-T156 PolarHBondContact O-N 3.11Å; T154-T156 PolarHBondContact OG1-OG1 2.86Å; T154-D177 WeakPolarHBondContact O-CB 3.43Å; T154-D177 VanDerWaalsContact O-OD1 3.08Å; T154-L180 HydrophobicContact CG2-CB 4.26Å; T154-A181 HydrophobicContact CG2-CB 4.06Å |
| 155 | N | 96.1 | Very high | 95.3 | Very high | 110 Ų | 110 | 76.3 Ų | 76.3 | 59% | 0.588 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 23.5 | -175.5 | -52.4 | -76 | 0 | 0 | 0 | 114.9 | R151 | R151-N155 VanDerWaalsContact O-CA 3.32Å; R151-N155 WeakPolarHBondContact O-CA 3.14Å; R151-N155 PolarHBondContact O-N 3.19Å |
| 156 | T | 97.1 | Very high | 95.2 | Very high | 7 Ų | 7 | 80.3 Ų | 80.3 | 4% | 0.043 | 41% | 0.407 | C | S | . | . | trans | -101.6 | 149.5 | -178 | 58.4 | 0 | 0 | 0 | 0 | 113 | R151 T154 I158 I171 D177 V178 A181 | R151-T156 WeakPolarHBondContact CB-O 3.44Å; R151-T156 WeakPolarHBondContact CG-O 3.4Å; R151-T156 PolarHBondContact O-N 2.95Å; T154-T156 WeakPolarHBondContact O-CG2 3.33Å; T154-T156 PolarHBondContact O-N 3.11Å; T154-T156 PolarHBondContact OG1-OG1 2.86Å; T156-I158 VanDerWaalsContact OG1-CG1 3.31Å; T156-I158 WeakPolarHBondContact OG1-CG1 3.07Å; T156-I171 HydrophobicContact CG2-CG2 3.82Å; T156-D177 HydrophobicContact CG2-CB 3.84Å; T156-D177 WeakPolarHBondContact CG2-O 3.43Å; T156-V178 HydrophobicContact CG2-CG2 4.06Å; T156-A181 HydrophobicContact CG2-CB 3.98Å | ||
| 157 | Y | 97.5 | Very high | 95.2 | Very high | 155 Ų | 155 | 77.6 Ų | 77.6 | 61% | 0.608 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 108.1 | 164.2 | 179.7 | -98.9 | 0 | 0 | 0 | 109.6 | K159 T172 | Y157-K159 HydrophobicContact CE1-CB 4.37Å; Y157-T172 PolarHBondContact N-O 3.15Å; Y157-T172 PolarHBondContact O-N 2.9Å |
| 158 | I | 97.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 78.9 Ų | 78.9 | 0% | 0 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 104.8 | -179.9 | -52.8 | 166.1 | 0 | 0 | 0 | 110 | I147 L150 R151 T156 T160 F169 L170 I171 A181 I185 | I147-I158 HydrophobicContact CD1-CB 4.09Å; I147-I158 HydrophobicContact CD1-CD1 3.76Å; I147-I158 HydrophobicContact CD1-CG2 3.89Å; L150-I158 HydrophobicContact CD2-CD1 4.05Å; L150-I158 HydrophobicContact CG-CD1 4.1Å; R151-I158 HydrophobicContact CG-CB 3.97Å; R151-I158 HydrophobicContact CG-CD1 3.86Å; R151-I158 HydrophobicContact CG-CG1 3.93Å; R151-I158 PolarHBondContact NE-O 2.94Å; R151-I158 PolarHBondContact NH2-O 3.41Å; T156-I158 VanDerWaalsContact OG1-CG1 3.31Å; T156-I158 WeakPolarHBondContact OG1-CG1 3.07Å; I158-T160 PolarHBondContact O-N 2.95Å; I158-F169 HydrophobicContact CG2-CB 4.14Å; I158-F169 HydrophobicContact CG2-CD1 3.72Å; I158-F169 HydrophobicContact CG2-CG 4.31Å; I158-L170 CarbonylContact C-O 3.29Å; I158-L170 WeakPolarHBondContact CA-O 3.35Å; I158-I171 HydrophobicContact CG1-CG1 4.32Å; I158-I171 HydrophobicContact CG1-CG2 4.13Å; I158-I171 HydrophobicContact CG2-CG1 4.23Å; I158-A181 HydrophobicContact CD1-CB 4.33Å; I158-I185 HydrophobicContact CD1-CD1 4.37Å; I158-I185 HydrophobicContact CG2-CD1 4.13Å |
| 159 | K | 96.7 | Very high | 95.2 | Very high | 97 Ų | 97 | 72.9 Ų | 72.9 | 42% | 0.422 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 125.2 | 168.5 | -172.4 | -168.2 | 174 | -164.2 | 0 | 108.9 | Y157 L170 | Y157-K159 HydrophobicContact CE1-CB 4.37Å; K159-L170 HydrophobicContact CB-CB 4.18Å; K159-L170 PolarHBondContact N-O 3.49Å; K159-L170 PolarHBondContact O-N 3.03Å |
| 160 | T | 96.1 | Very high | 95.2 | Very high | 42 Ų | 42 | 73 Ų | 73 | 26% | 0.258 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -86.8 | 132.7 | 171.3 | -53.3 | 0 | 0 | 0 | 0 | 108.7 | V136 V140 R151 I158 F169 | V136-T160 HydrophobicContact CG1-CG2 4.24Å; V140-T160 HydrophobicContact CG2-CG2 3.5Å; V140-T160 VanDerWaalsContact CG2-CG2 3.5Å; R151-T160 PolarHBondContact NH2-OG1 2.83Å; I158-T160 PolarHBondContact O-N 2.95Å; T160-F169 HydrophobicContact CG2-CE1 4Å |
| 161 | P | 95.4 | Very high | 95.3 | Very high | 17 Ų | 17 | 72.1 Ų | 72.1 | 11% | 0.11 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 152.5 | 173.6 | 29.7 | -34.5 | 0 | 0 | 0 | 110.6 | V136 E165 E166 V168 | V136-P161 HydrophobicContact CG1-CG 4.04Å; V136-P161 HydrophobicContact CG2-CG 4.38Å; P161-E165 HydrophobicContact CB-CB 4.39Å; P161-E166 VanDerWaalsContact CB-O 3.25Å; P161-E166 WeakPolarHBondContact CB-O 3.21Å; P161-V168 WeakPolarHBondContact CD-O 3.32Å; P161-V168 WeakPolarHBondContact CG-O 3.31Å |
| 162 | V | 91.1 | Very high | 95.3 | Very high | 87 Ų | 87 | 70 Ų | 70 | 53% | 0.527 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -79 | 161.8 | -179.9 | -39.9 | 0 | 0 | 0 | 0 | 111.4 | G164 E165 | V162-G164 PolarHBondContact O-N 2.8Å; V162-E165 HydrophobicContact CG2-CB 4.18Å; V162-E165 VanDerWaalsContact CG2-CD 3.49Å; V162-E165 HydrophobicContact CG2-CG 3.7Å; V162-E165 PolarHBondContact N-OE2 2.92Å; V162-E165 PolarHBondContact O-N 3.42Å; V162-E165 VanDerWaalsContact O-N 3.13Å |
| 163 | R | 85.6 | Confident | 95.2 | Very high | 256 Ų | 256 | 67.1 Ų | 67.1 | 97% | 0.966 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | 97.5 | 179.6 | -173.2 | -176.7 | -176.2 | -168 | 0.1 | 110.6 | ||
| 164 | G | 86.6 | Confident | 95.2 | Very high | 77 Ų | 77 | 66.9 Ų | 66.9 | 79% | 0.794 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 126.8 | -14.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | V162 | V162-G164 PolarHBondContact O-N 2.8Š|
| 165 | E | 92.4 | Very high | 95.1 | Very high | 96 Ų | 96 | 72.5 Ų | 72.5 | 45% | 0.449 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -75.6 | 170.2 | 164.3 | -82.1 | 168.3 | 179.5 | 0 | 0 | 111.1 | P161 V162 | P161-E165 HydrophobicContact CB-CB 4.39Å; V162-E165 HydrophobicContact CG2-CB 4.18Å; V162-E165 VanDerWaalsContact CG2-CD 3.49Å; V162-E165 HydrophobicContact CG2-CG 3.7Å; V162-E165 PolarHBondContact N-OE2 2.92Å; V162-E165 PolarHBondContact O-N 3.42Å; V162-E165 VanDerWaalsContact O-N 3.13Å |
| 166 | E | 95 | Very high | 95.1 | Very high | 156 Ų | 156 | 72.5 Ų | 72.5 | 73% | 0.729 | 36% | 0.357 | S | S | * | . | trans | -57.7 | 143.4 | 169.6 | -62.9 | -168.1 | 125.1 | 0 | 0 | 111.5 | P161 V168 | P161-E166 VanDerWaalsContact CB-O 3.25Å; P161-E166 WeakPolarHBondContact CB-O 3.21Å; E166-V168 HydrophobicContact CB-CG2 4.13Å; E166-V168 PolarHBondContact O-N 3.27Å | ||
| 167 | P | 96.3 | Very high | 95.1 | Very high | 38 Ų | 38 | 72.9 Ų | 72.9 | 25% | 0.247 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -77.1 | 56.8 | -177.2 | 33.7 | -38.3 | 0 | 0 | 0 | 112.7 | V130 V136 | V130-P167 WeakPolarHBondContact CB-O 3.45Å; V130-P167 PolarHBondContact N-O 2.92Å; V130-P167 WeakPolarHBondContact O-CB 3.4Å; V130-P167 WeakPolarHBondContact O-CG 3.44Å; V136-P167 HydrophobicContact CG2-CB 3.64Å |
| 168 | V | 97 | Very high | 95.1 | Very high | 33 Ų | 33 | 65.5 Ų | 65.5 | 20% | 0.2 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 119.7 | -178.9 | -174.1 | 0 | 0 | 0 | 0 | 110.4 | C127 V128 P129 P161 E166 L170 | C127-V168 HydrophobicContact CB-CG1 3.88Å; V128-V168 WeakPolarHBondContact O-CA 3.43Å; P129-V168 HydrophobicContact CB-CG2 4.32Å; P161-V168 WeakPolarHBondContact CD-O 3.32Å; P161-V168 WeakPolarHBondContact CG-O 3.31Å; E166-V168 HydrophobicContact CB-CG2 4.13Å; E166-V168 PolarHBondContact O-N 3.27Å; V168-L170 HydrophobicContact CG1-CD1 4.41Å |
| 169 | F | 97.7 | Very high | 95 | Very high | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 138.4 | 168.2 | -70.7 | -86.1 | 0 | 0 | 0 | 110 | C127 V128 V130 V136 I139 V140 I147 I158 T160 I185 | C127-F169 CarbonylContact C-O 3.52Å; C127-F169 WeakPolarHBondContact CA-O 3.16Å; V128-F169 PolarHBondContact N-O 3.37Å; V128-F169 PolarHBondContact O-N 3.44Å; V130-F169 HydrophobicContact CG2-CD2 3.85Å; V130-F169 HydrophobicContact CG2-CE2 3.92Å; V136-F169 HydrophobicContact CB-CE2 4.38Å; V136-F169 HydrophobicContact CB-CZ 4.32Å; V136-F169 HydrophobicContact CG1-CE1 4.42Å; V136-F169 HydrophobicContact CG1-CE2 4.23Å; V136-F169 HydrophobicContact CG1-CZ 3.79Å; V136-F169 HydrophobicContact CG2-CE2 3.97Å; V136-F169 HydrophobicContact CG2-CZ 4.37Å; I139-F169 HydrophobicContact CB-CZ 4.3Å; I139-F169 HydrophobicContact CD1-CE2 4.27Å; I139-F169 HydrophobicContact CG2-CE2 4.21Å; I139-F169 HydrophobicContact CG2-CZ 3.9Å; V140-F169 HydrophobicContact CG2-CE1 4.09Å; V140-F169 HydrophobicContact CG2-CZ 4.09Å; I147-F169 HydrophobicContact CD1-CE1 4.33Å; I158-F169 HydrophobicContact CG2-CB 4.14Å; I158-F169 HydrophobicContact CG2-CD1 3.72Å; I158-F169 HydrophobicContact CG2-CG 4.31Å; T160-F169 HydrophobicContact CG2-CE1 4Å; F169-I185 HydrophobicContact CB-CD1 4.09Å; F169-I185 HydrophobicContact CD1-CD1 4.37Å; F169-I185 HydrophobicContact CD2-CD1 4.19Å; F169-I185 HydrophobicContact CD2-CG2 3.77Å; F169-I185 HydrophobicContact CE2-CG2 4.1Å; F169-I185 HydrophobicContact CG-CD1 3.98Å |
| 170 | L | 97.6 | Very high | 95 | Very high | 63 Ų | 63 | 67.3 Ų | 67.3 | 33% | 0.33 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 123.7 | 170.1 | -69.2 | 70.8 | 0 | 0 | 0 | 108.2 | I158 K159 V168 | I158-L170 CarbonylContact C-O 3.29Å; I158-L170 WeakPolarHBondContact CA-O 3.35Å; K159-L170 HydrophobicContact CB-CB 4.18Å; K159-L170 PolarHBondContact N-O 3.49Å; K159-L170 PolarHBondContact O-N 3.03Å; V168-L170 HydrophobicContact CG1-CD1 4.41Å |
| 171 | I | 98.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 121.3 | -174 | -49.9 | 179.2 | 0 | 0 | 0 | 108.8 | T125 E126 V128 T156 I158 V178 A181 R182 I185 | T125-I171 CarbonylContact C-O 3.49Å; T125-I171 WeakPolarHBondContact CA-O 3.47Å; E126-I171 PolarHBondContact N-O 2.96Å; E126-I171 PolarHBondContact O-N 3.33Å; V128-I171 HydrophobicContact CB-CD1 4.43Å; V128-I171 HydrophobicContact CG2-CD1 3.54Å; V128-I171 HydrophobicContact CG2-CG1 4.23Å; T156-I171 HydrophobicContact CG2-CG2 3.82Å; I158-I171 HydrophobicContact CG1-CG1 4.32Å; I158-I171 HydrophobicContact CG1-CG2 4.13Å; I158-I171 HydrophobicContact CG2-CG1 4.23Å; I171-V178 HydrophobicContact CB-CG1 4.27Å; I171-V178 HydrophobicContact CG2-CB 4.29Å; I171-V178 HydrophobicContact CG2-CG1 4.02Å; I171-V178 HydrophobicContact CG2-CG2 4.01Å; I171-A181 HydrophobicContact CD1-CB 3.95Å; I171-A181 HydrophobicContact CG2-CB 3.86Å; I171-R182 HydrophobicContact CD1-CB 4.19Å; I171-I185 HydrophobicContact CD1-CD1 3.99Å |
| 172 | T | 96.6 | Very high | 95.2 | Very high | 34 Ų | 34 | 69.8 Ų | 69.8 | 21% | 0.209 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 131.9 | 175.2 | -55.2 | 0 | 0 | 0 | 0 | 110.7 | N123 I124 T125 Y157 | N123-T172 HydrophobicContact CB-CG2 4.3Å; I124-T172 VanDerWaalsContact O-CA 3.32Å; I124-T172 WeakPolarHBondContact O-CA 3.25Å; T125-T172 WeakPolarHBondContact CG2-OG1 3.22Å; T125-T172 WeakPolarHBondContact OG1-CG2 3.46Å; T125-T172 PolarHBondContact OG1-OG1 3.27Å; Y157-T172 PolarHBondContact N-O 3.15Å; Y157-T172 PolarHBondContact O-N 2.9Å |
| 173 | G | 96.6 | Very high | 95.5 | Very high | 11 Ų | 11 | 74.3 Ų | 74.3 | 11% | 0.113 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 171.8 | -166 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | N123 I124 V178 | N123-G173 CarbonylContact C-O 3.45Å; N123-G173 VanDerWaalsContact CA-O 3.22Å; N123-G173 WeakPolarHBondContact CA-O 3.27Å; I124-G173 PolarHBondContact N-O 3.38Å; I124-G173 PolarHBondContact O-N 3.33Å; G173-V178 VanDerWaalsContact N-CG2 3.34Å |
| 174 | R | 95.6 | Very high | 96.1 | Very high | 122 Ų | 122 | 65.6 Ų | 65.6 | 46% | 0.46 | 33% | 0.332 | S | S | . | . | trans | -69.8 | 156.2 | 172.2 | -61.7 | 177.4 | -69.6 | -141.2 | -1.6 | 110.7 | E176 D177 V178 | R174-E176 VanDerWaalsContact C-N 3.3Å; R174-E176 VanDerWaalsContact CB-OE1 3.27Å; R174-E176 WeakPolarHBondContact CB-OE1 3.39Å; R174-E176 WeakPolarHBondContact CB-OE2 3.42Å; R174-E176 WeakPolarHBondContact CD-OE1 3.18Å; R174-E176 IonicContact NE-OE1 3.46Å; R174-E176 PolarHBondContact NE-OE1 3.19Å; R174-E176 PolarHBondContact O-N 3.38Å; R174-D177 HydrophobicContact CB-CB 4.3Å; R174-D177 IonicContact CZ-OD2 3.13Å; R174-D177 IonicContact NE-OD2 2.73Å; R174-D177 PolarHBondContact NE-OD2 3.13Å; R174-D177 IonicContact NH2-OD1 3.88Å; R174-D177 IonicContact NH2-OD2 2.69Å; R174-D177 PolarHBondContact NH2-OD2 2.93Å; R174-D177 PolarHBondContact O-N 3.25Å; R174-V178 WeakPolarHBondContact O-CB 2.93Å; R174-V178 VanDerWaalsContact O-CG2 3.25Å; R174-V178 WeakPolarHBondContact O-CG2 3.2Å; R174-V178 PolarHBondContact O-N 2.98Å | ||
| 175 | K | 95.2 | Very high | 96.6 | Very high | 122 Ų | 122 | 62 Ų | 62 | 53% | 0.53 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58.7 | -41.3 | -171.5 | -176.2 | 169.5 | -178 | 175.4 | 0 | 112.5 | S114 I124 A179 | S114-K175 PolarHBondContact OG-NZ 2.87Å; I124-K175 HydrophobicContact CD1-CB 4.16Å; I124-K175 HydrophobicContact CD1-CG 4.08Å; K175-A179 WeakPolarHBondContact O-CB 3.5Å; K175-A179 PolarHBondContact O-N 3.41Å |
| 176 | E | 94.8 | Very high | 96.9 | Very high | 109 Ų | 109 | 60.8 Ų | 60.8 | 51% | 0.509 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -68.6 | -43.5 | 176.9 | 65.9 | -75.5 | -174.4 | 0 | 0 | 113.1 | R174 A179 L180 | R174-E176 VanDerWaalsContact C-N 3.3Å; R174-E176 VanDerWaalsContact CB-OE1 3.27Å; R174-E176 WeakPolarHBondContact CB-OE1 3.39Å; R174-E176 WeakPolarHBondContact CB-OE2 3.42Å; R174-E176 WeakPolarHBondContact CD-OE1 3.18Å; R174-E176 IonicContact NE-OE1 3.46Å; R174-E176 PolarHBondContact NE-OE1 3.19Å; R174-E176 PolarHBondContact O-N 3.38Å; E176-A179 PolarHBondContact O-N 3.04Å; E176-L180 WeakPolarHBondContact O-CG 3.34Å; E176-L180 PolarHBondContact O-N 3.42Å; E176-L180 VanDerWaalsContact O-N 3.11Å |
| 177 | D | 96.9 | Very high | 97 | Very high | 15 Ų | 15 | 56.5 Ų | 56.5 | 8% | 0.08 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.7 | -41.4 | 179.3 | -82.1 | -34.8 | 0 | 0 | 0 | 112 | T154 T156 R174 L180 A181 | T154-D177 WeakPolarHBondContact O-CB 3.43Å; T154-D177 VanDerWaalsContact O-OD1 3.08Å; T156-D177 HydrophobicContact CG2-CB 3.84Å; T156-D177 WeakPolarHBondContact CG2-O 3.43Å; R174-D177 HydrophobicContact CB-CB 4.3Å; R174-D177 IonicContact CZ-OD2 3.13Å; R174-D177 IonicContact NE-OD2 2.73Å; R174-D177 PolarHBondContact NE-OD2 3.13Å; R174-D177 IonicContact NH2-OD1 3.88Å; R174-D177 IonicContact NH2-OD2 2.69Å; R174-D177 PolarHBondContact NH2-OD2 2.93Å; R174-D177 PolarHBondContact O-N 3.25Å; D177-L180 PolarHBondContact O-N 3.41Å; D177-A181 WeakPolarHBondContact O-CB 3.4Å; D177-A181 PolarHBondContact O-N 3.18Å |
| 178 | V | 97.4 | Very high | 97 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.9 | -43.5 | 176.9 | 172.5 | 0 | 0 | 0 | 0 | 110.7 | I124 E126 T156 I171 G173 R174 L180 A181 R182 | I124-V178 HydrophobicContact CD1-CB 4.13Å; I124-V178 HydrophobicContact CD1-CG1 4.06Å; I124-V178 HydrophobicContact CG1-CB 4.09Å; I124-V178 HydrophobicContact CG1-CG1 4.18Å; I124-V178 HydrophobicContact CG1-CG2 3.96Å; E126-V178 HydrophobicContact CB-CG1 3.62Å; E126-V178 WeakPolarHBondContact OE2-CG1 3.46Å; T156-V178 HydrophobicContact CG2-CG2 4.06Å; I171-V178 HydrophobicContact CB-CG1 4.27Å; I171-V178 HydrophobicContact CG2-CB 4.29Å; I171-V178 HydrophobicContact CG2-CG1 4.02Å; I171-V178 HydrophobicContact CG2-CG2 4.01Å; G173-V178 VanDerWaalsContact N-CG2 3.34Å; R174-V178 WeakPolarHBondContact O-CB 2.93Å; R174-V178 VanDerWaalsContact O-CG2 3.25Å; R174-V178 WeakPolarHBondContact O-CG2 3.2Å; R174-V178 PolarHBondContact O-N 2.98Å; V178-L180 VanDerWaalsContact C-N 3.33Å; V178-L180 PolarHBondContact O-N 2.88Å; V178-A181 PolarHBondContact O-N 2.7Å; V178-R182 WeakPolarHBondContact O-CB 3.39Å; V178-R182 PolarHBondContact O-N 2.95Å |
| 179 | A | 96.6 | Very high | 97 | Very high | 51 Ų | 51 | 54.6 Ų | 54.6 | 42% | 0.421 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.9 | -38 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | K175 E176 R183 | K175-A179 WeakPolarHBondContact O-CB 3.5Å; K175-A179 PolarHBondContact O-N 3.41Å; E176-A179 PolarHBondContact O-N 3.04Å; A179-R183 WeakPolarHBondContact O-CB 3.42Å; A179-R183 PolarHBondContact O-N 2.89Å; A179-R183 VanDerWaalsContact O-N 3.12Å |
| 180 | L | 97.2 | Very high | 96.9 | Very high | 85 Ų | 85 | 60.2 Ų | 60.2 | 45% | 0.445 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.3 | -49.6 | 172.1 | -76.3 | 167.3 | 0 | 0 | 0 | 111.5 | T154 E176 D177 V178 R182 R183 E184 | T154-L180 HydrophobicContact CG2-CB 4.26Å; E176-L180 WeakPolarHBondContact O-CG 3.34Å; E176-L180 PolarHBondContact O-N 3.42Å; E176-L180 VanDerWaalsContact O-N 3.11Å; D177-L180 PolarHBondContact O-N 3.41Å; V178-L180 VanDerWaalsContact C-N 3.33Å; V178-L180 PolarHBondContact O-N 2.88Å; L180-R182 PolarHBondContact O-N 3.08Å; L180-R183 PolarHBondContact O-N 3.47Å; L180-E184 VanDerWaalsContact O-CG 3.23Å; L180-E184 WeakPolarHBondContact O-CG 3.3Å; L180-E184 PolarHBondContact O-N 3.16Å |
| 181 | A | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.1 | -40.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | T154 T156 I158 I171 D177 V178 E184 I185 | T154-A181 HydrophobicContact CG2-CB 4.06Å; T156-A181 HydrophobicContact CG2-CB 3.98Å; I158-A181 HydrophobicContact CD1-CB 4.33Å; I171-A181 HydrophobicContact CD1-CB 3.95Å; I171-A181 HydrophobicContact CG2-CB 3.86Å; D177-A181 WeakPolarHBondContact O-CB 3.4Å; D177-A181 PolarHBondContact O-N 3.18Å; V178-A181 PolarHBondContact O-N 2.7Å; A181-E184 PolarHBondContact O-N 3.44Å; A181-I185 WeakPolarHBondContact O-CG1 3.44Å; A181-I185 PolarHBondContact O-N 2.9Å |
| 182 | R | 97.7 | Very high | 96.7 | Very high | 110 Ų | 110 | 62.8 Ų | 62.8 | 42% | 0.415 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.6 | -49 | 173.9 | 170.3 | 169 | 172.2 | -150.4 | -4.2 | 111.7 | E126 V128 I171 V178 L180 E184 I185 I186 | E126-R182 WeakPolarHBondContact OE1-CD 3.23Å; E126-R182 IonicContact OE1-CZ 3.49Å; E126-R182 IonicContact OE1-NE 3.67Å; E126-R182 IonicContact OE1-NH1 2.67Å; E126-R182 PolarHBondContact OE1-NH1 2.93Å; E126-R182 WeakPolarHBondContact OE2-CD 3.41Å; V128-R182 HydrophobicContact CG1-CG 4.33Å; V128-R182 HydrophobicContact CG2-CB 3.78Å; V128-R182 HydrophobicContact CG2-CG 3.65Å; I171-R182 HydrophobicContact CD1-CB 4.19Å; V178-R182 WeakPolarHBondContact O-CB 3.39Å; V178-R182 PolarHBondContact O-N 2.95Å; L180-R182 PolarHBondContact O-N 3.08Å; R182-E184 VanDerWaalsContact C-N 3.35Å; R182-E184 PolarHBondContact O-N 3.14Å; R182-I185 PolarHBondContact O-N 3.4Å; R182-I186 HydrophobicContact CG-CD1 3.7Å; R182-I186 WeakPolarHBondContact O-CG1 3.35Å; R182-I186 PolarHBondContact O-N 2.73Å |
| 183 | R | 97.6 | Very high | 96.5 | Very high | 182 Ų | 182 | 63.1 Ų | 63.1 | 69% | 0.687 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -60.5 | -43.8 | 179.9 | -171.8 | -176.5 | -63.2 | 175.9 | 0.3 | 111.7 | A179 L180 I186 S187 | A179-R183 WeakPolarHBondContact O-CB 3.42Å; A179-R183 PolarHBondContact O-N 2.89Å; A179-R183 VanDerWaalsContact O-N 3.12Å; L180-R183 PolarHBondContact O-N 3.47Å; R183-I186 PolarHBondContact O-N 2.78Å; R183-S187 VanDerWaalsContact O-CB 3.27Å; R183-S187 WeakPolarHBondContact O-CB 3.4Å; R183-S187 PolarHBondContact O-N 3.44Å |
| 184 | E | 97.6 | Very high | 96.2 | Very high | 74 Ų | 74 | 68 Ų | 68 | 35% | 0.346 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.9 | -40.6 | 178.8 | -66 | -96.6 | 159.6 | 0 | 0 | 112.2 | L150 K153 L180 A181 R182 A188 | L150-E184 HydrophobicContact CD1-CB 3.68Å; L150-E184 HydrophobicContact CD1-CG 4.01Å; L150-E184 HydrophobicContact CD2-CB 4.43Å; K153-E184 IonicContact NZ-OE1 2.63Å; K153-E184 PolarHBondContact NZ-OE1 3.13Å; K153-E184 IonicContact NZ-OE2 2.79Å; K153-E184 PolarHBondContact NZ-OE2 3.1Å; L180-E184 VanDerWaalsContact O-CG 3.23Å; L180-E184 WeakPolarHBondContact O-CG 3.3Å; L180-E184 PolarHBondContact O-N 3.16Å; A181-E184 PolarHBondContact O-N 3.44Å; R182-E184 VanDerWaalsContact C-N 3.35Å; R182-E184 PolarHBondContact O-N 3.14Å; E184-A188 WeakPolarHBondContact O-CB 3.3Å; E184-A188 PolarHBondContact O-N 3.04Å |
| 185 | I | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.5 | -44.5 | 176.6 | -73.1 | 176.4 | 0 | 0 | 0 | 111.5 | V128 V130 I139 L150 I158 F169 I171 A181 R182 A188 A189 | V128-I185 HydrophobicContact CB-CG2 4.5Å; V128-I185 HydrophobicContact CG1-CB 4.24Å; V128-I185 HydrophobicContact CG1-CG2 3.71Å; V130-I185 HydrophobicContact CG2-CG2 3.72Å; I139-I185 HydrophobicContact CD1-CG2 4.39Å; I139-I185 HydrophobicContact CG2-CG1 4.46Å; L150-I185 HydrophobicContact CD2-CD1 4.23Å; L150-I185 HydrophobicContact CD2-CG1 3.68Å; I158-I185 HydrophobicContact CD1-CD1 4.37Å; I158-I185 HydrophobicContact CG2-CD1 4.13Å; F169-I185 HydrophobicContact CB-CD1 4.09Å; F169-I185 HydrophobicContact CD1-CD1 4.37Å; F169-I185 HydrophobicContact CD2-CD1 4.19Å; F169-I185 HydrophobicContact CD2-CG2 3.77Å; F169-I185 HydrophobicContact CE2-CG2 4.1Å; F169-I185 HydrophobicContact CG-CD1 3.98Å; I171-I185 HydrophobicContact CD1-CD1 3.99Å; A181-I185 WeakPolarHBondContact O-CG1 3.44Å; A181-I185 PolarHBondContact O-N 2.9Å; R182-I185 PolarHBondContact O-N 3.4Å; I185-A188 PolarHBondContact O-N 2.88Å; I185-A189 WeakPolarHBondContact O-CB 3.44Å; I185-A189 PolarHBondContact O-N 3.32Å |
| 186 | I | 97.4 | Very high | 95.4 | Very high | 72 Ų | 72 | 63.8 Ų | 63.8 | 37% | 0.369 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65 | -49.3 | 178.8 | -66.5 | 169.2 | 0 | 0 | 0 | 110.4 | V128 R182 R183 A188 A189 E190 | V128-I186 HydrophobicContact CG1-CD1 4.19Å; V128-I186 HydrophobicContact CG1-CG1 3.75Å; R182-I186 HydrophobicContact CG-CD1 3.7Å; R182-I186 WeakPolarHBondContact O-CG1 3.35Å; R182-I186 PolarHBondContact O-N 2.73Å; R183-I186 PolarHBondContact O-N 2.78Å; I186-A188 VanDerWaalsContact C-N 3.3Å; I186-A188 PolarHBondContact O-N 3.07Å; I186-A189 WeakPolarHBondContact O-CB 3.25Å; I186-A189 PolarHBondContact O-N 3.03Å; I186-A189 VanDerWaalsContact O-N 3.1Å; I186-E190 PolarHBondContact O-N 3.17Å |
| 187 | S | 97.6 | Very high | 94.7 | Very high | 66 Ų | 66 | 61.7 Ų | 61.7 | 46% | 0.462 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.6 | -37.5 | 178.7 | -177.8 | 0 | 0 | 0 | 0 | 112.2 | R183 H191 | R183-S187 VanDerWaalsContact O-CB 3.27Å; R183-S187 WeakPolarHBondContact O-CB 3.4Å; R183-S187 PolarHBondContact O-N 3.44Å; S187-H191 VanDerWaalsContact O-CB 3.22Å; S187-H191 WeakPolarHBondContact O-CB 3.44Å; S187-H191 PolarHBondContact O-N 3.25Å |
| 188 | A | 96.6 | Very high | 93.6 | Very high | 26 Ų | 26 | 64 Ų | 64 | 22% | 0.215 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.8 | -42.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I139 E184 I185 I186 H191 F192 | I139-A188 HydrophobicContact CG1-CB 4Å; E184-A188 WeakPolarHBondContact O-CB 3.3Å; E184-A188 PolarHBondContact O-N 3.04Å; I185-A188 PolarHBondContact O-N 2.88Å; I186-A188 VanDerWaalsContact C-N 3.3Å; I186-A188 PolarHBondContact O-N 3.07Å; A188-H191 PolarHBondContact O-N 2.9Å; A188-F192 HydrophobicContact CB-CE2 4.01Å; A188-F192 WeakPolarHBondContact O-CD2 3.42Å; A188-F192 VanDerWaalsContact O-CG 3.3Å; A188-F192 WeakPolarHBondContact O-CG 3.42Å; A188-F192 PolarHBondContact O-N 2.82Å |
| 189 | A | 96.7 | Very high | 92.3 | Very high | 5 Ų | 5 | 73 Ų | 73 | 4% | 0.041 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61.5 | -43.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V130 I139 I185 I186 S193 | V130-A189 HydrophobicContact CG1-CB 4Å; V130-A189 HydrophobicContact CG2-CB 4.36Å; I139-A189 HydrophobicContact CD1-CB 3.97Å; I185-A189 WeakPolarHBondContact O-CB 3.44Å; I185-A189 PolarHBondContact O-N 3.32Å; I186-A189 WeakPolarHBondContact O-CB 3.25Å; I186-A189 PolarHBondContact O-N 3.03Å; I186-A189 VanDerWaalsContact O-N 3.1Å; A189-S193 WeakPolarHBondContact O-CB 3.46Å; A189-S193 PolarHBondContact O-N 3.49Å; A189-S193 PolarHBondContact O-OG 3.28Å |
| 190 | E | 96 | Very high | 90.6 | Very high | 117 Ų | 117 | 77 Ų | 77 | 55% | 0.547 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.6 | -46 | 175.7 | -176.9 | 178.1 | -156.1 | 0 | 0 | 111.7 | I186 F192 S193 M194 | I186-E190 PolarHBondContact O-N 3.17Å; E190-F192 PolarHBondContact O-N 2.82Å; E190-S193 WeakPolarHBondContact O-CA 3.2Å; E190-S193 VanDerWaalsContact O-CB 3.3Å; E190-S193 WeakPolarHBondContact O-CB 3.47Å; E190-S193 PolarHBondContact O-N 2.9Å; E190-S193 VanDerWaalsContact O-N 3.08Å; E190-M194 HydrophobicContact CG-CE 4.35Å; E190-M194 PolarHBondContact O-N 3.26Å |
| 191 | H | 95 | Very high | 88.4 | Confident | 93 Ų | 93 | 82 Ų | 82 | 43% | 0.431 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -59.1 | -43.2 | 175.7 | 173.7 | -97.7 | 0 | 0 | 0 | 112.5 | S187 A188 M194 L195 | S187-H191 VanDerWaalsContact O-CB 3.22Å; S187-H191 WeakPolarHBondContact O-CB 3.44Å; S187-H191 PolarHBondContact O-N 3.25Å; A188-H191 PolarHBondContact O-N 2.9Å; H191-M194 PolarHBondContact O-N 2.97Å; H191-L195 VanDerWaalsContact CE1-CD1 3.4Å; H191-L195 WeakPolarHBondContact CE1-CD1 3.33Å; H191-L195 WeakPolarHBondContact O-CG 3.43Å; H191-L195 PolarHBondContact O-N 3.25Å |
| 192 | F | 95 | Very high | 86.1 | Confident | 25 Ų | 25 | 86.2 Ų | 86.2 | 11% | 0.11 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -67 | -37.1 | 173.4 | -64.9 | -43.3 | 0 | 0 | 0 | 112 | E138 I139 K146 A188 E190 M194 L195 R196 | E138-F192 HydrophobicContact CB-CD1 4.39Å; E138-F192 HydrophobicContact CB-CD2 3.84Å; E138-F192 HydrophobicContact CB-CE2 4.05Å; E138-F192 HydrophobicContact CB-CG 4.08Å; E138-F192 HydrophobicContact CB-CZ 4.46Å; E138-F192 WeakPolarHBondContact OE2-CB 3.32Å; E138-F192 WeakPolarHBondContact OE2-CG 3.29Å; I139-F192 HydrophobicContact CG1-CD2 3.92Å; I139-F192 HydrophobicContact CG1-CE2 3.75Å; K146-F192 VanDerWaalsContact NZ-CZ 3.34Å; A188-F192 HydrophobicContact CB-CE2 4.01Å; A188-F192 WeakPolarHBondContact O-CD2 3.42Å; A188-F192 VanDerWaalsContact O-CG 3.3Å; A188-F192 WeakPolarHBondContact O-CG 3.42Å; A188-F192 PolarHBondContact O-N 2.82Å; E190-F192 PolarHBondContact O-N 2.82Å; F192-M194 PolarHBondContact O-N 2.92Å; F192-L195 HydrophobicContact CD1-CD1 4.25Å; F192-L195 PolarHBondContact O-N 3.5Å; F192-R196 WeakPolarHBondContact O-CB 3.39Å; F192-R196 VanDerWaalsContact O-CD 3.29Å; F192-R196 WeakPolarHBondContact O-CD 3.33Å; F192-R196 VanDerWaalsContact O-CG 3.26Å; F192-R196 WeakPolarHBondContact O-CG 3.34Å; F192-R196 PolarHBondContact O-N 3.24Å |
| 193 | S | 93.9 | Very high | 83.9 | Confident | 40 Ų | 40 | 83.4 Ų | 83.4 | 28% | 0.28 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -59.2 | -45.1 | 173.5 | -58.1 | 0 | 0 | 0 | 0 | 111.6 | H135 A189 E190 R196 A197 | H135-S193 PolarHBondContact NE2-OG 2.83Å; A189-S193 WeakPolarHBondContact O-CB 3.46Å; A189-S193 PolarHBondContact O-N 3.49Å; A189-S193 PolarHBondContact O-OG 3.28Å; E190-S193 WeakPolarHBondContact O-CA 3.2Å; E190-S193 VanDerWaalsContact O-CB 3.3Å; E190-S193 WeakPolarHBondContact O-CB 3.47Å; E190-S193 PolarHBondContact O-N 2.9Å; E190-S193 VanDerWaalsContact O-N 3.08Å; S193-R196 PolarHBondContact O-N 2.97Å; S193-A197 PolarHBondContact O-N 3.11Å |
| 194 | M | 89.6 | Confident | 81.6 | Confident | 115 Ų | 115 | 80.4 Ų | 80.4 | 57% | 0.567 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -62.9 | -43.6 | 175 | -71.8 | -166.8 | -81.2 | 0 | 0 | 112.8 | E190 H191 F192 R196 A197 S198 | E190-M194 HydrophobicContact CG-CE 4.35Å; E190-M194 PolarHBondContact O-N 3.26Å; H191-M194 PolarHBondContact O-N 2.97Å; F192-M194 PolarHBondContact O-N 2.92Å; M194-R196 PolarHBondContact O-N 3.28Å; M194-A197 PolarHBondContact O-N 3.34Å; M194-S198 WeakPolarHBondContact O-CB 3.43Å; M194-S198 PolarHBondContact O-N 3.22Å; M194-S198 PolarHBondContact O-OG 3.38Å |
| 195 | L | 89.1 | Confident | 79 | Confident | 78 Ų | 78 | 81.3 Ų | 81.3 | 41% | 0.408 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.7 | -27.5 | 175.7 | -74.9 | 175 | 0 | 0 | 0 | 113.2 | H191 F192 S198 R199 | H191-L195 VanDerWaalsContact CE1-CD1 3.4Å; H191-L195 WeakPolarHBondContact CE1-CD1 3.33Å; H191-L195 WeakPolarHBondContact O-CG 3.43Å; H191-L195 PolarHBondContact O-N 3.25Å; F192-L195 HydrophobicContact CD1-CD1 4.25Å; F192-L195 PolarHBondContact O-N 3.5Å; L195-S198 PolarHBondContact O-OG 3.26Å; L195-R199 WeakPolarHBondContact O-CB 3.3Å; L195-R199 VanDerWaalsContact O-CD 3.28Å; L195-R199 WeakPolarHBondContact O-CD 3.04Å; L195-R199 WeakPolarHBondContact O-CG 3.46Å; L195-R199 PolarHBondContact O-N 3.33Å |
| 196 | R | 86.1 | Confident | 76.6 | Confident | 77 Ų | 77 | 91 Ų | 91 | 29% | 0.291 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -78.6 | -45.8 | 175.5 | -73.7 | 158 | 159.5 | -96.6 | -10.2 | 111 | E134 H135 E138 F192 S193 M194 R199 N200 | E134-R196 IonicContact OE2-CZ 3.47Å; E134-R196 IonicContact OE2-NH1 3.35Å; E134-R196 PolarHBondContact OE2-NH1 2.95Å; E134-R196 IonicContact OE2-NH2 3.18Å; E134-R196 PolarHBondContact OE2-NH2 3.35Å; H135-R196 VanDerWaalsContact NE2-CD 3.33Å; H135-R196 WeakPolarHBondContact NE2-CD 3.49Å; E138-R196 IonicContact OE1-CZ 3.56Å; E138-R196 IonicContact OE1-NE 2.75Å; E138-R196 PolarHBondContact OE1-NE 3.27Å; E138-R196 IonicContact OE1-NH2 2.71Å; E138-R196 PolarHBondContact OE1-NH2 3.43Å; E138-R196 IonicContact OE2-NE 3.39Å; E138-R196 PolarHBondContact OE2-NE 3.21Å; F192-R196 WeakPolarHBondContact O-CB 3.39Å; F192-R196 VanDerWaalsContact O-CD 3.29Å; F192-R196 WeakPolarHBondContact O-CD 3.33Å; F192-R196 VanDerWaalsContact O-CG 3.26Å; F192-R196 WeakPolarHBondContact O-CG 3.34Å; F192-R196 PolarHBondContact O-N 3.24Å; S193-R196 PolarHBondContact O-N 2.97Å; M194-R196 PolarHBondContact O-N 3.28Å; R196-R199 PolarHBondContact O-N 3.32Å; R196-N200 WeakPolarHBondContact O-CB 3.24Å; R196-N200 PolarHBondContact O-N 2.85Å |
| 197 | A | 79.7 | Confident | 73.9 | Confident | 65 Ų | 65 | 91.2 Ų | 91.2 | 54% | 0.537 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.1 | -44.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | S193 M194 R199 N200 K201 | S193-A197 PolarHBondContact O-N 3.11Å; M194-A197 PolarHBondContact O-N 3.34Å; A197-R199 PolarHBondContact O-N 2.78Å; A197-N200 PolarHBondContact O-N 3.11Å; A197-K201 PolarHBondContact O-N 3.47Å; A197-K201 VanDerWaalsContact O-N 3.1Å |
| 198 | S | 73.9 | Confident | 71.4 | Confident | 64 Ų | 64 | 92 Ų | 92 | 45% | 0.448 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.9 | -40.6 | 179.5 | 66.3 | 0 | 0 | 0 | 0 | 112.5 | M194 L195 K201 | M194-S198 WeakPolarHBondContact O-CB 3.43Å; M194-S198 PolarHBondContact O-N 3.22Å; M194-S198 PolarHBondContact O-OG 3.38Å; L195-S198 PolarHBondContact O-OG 3.26Å; S198-K201 PolarHBondContact O-N 2.94Å |
| 199 | R | 69.9 | Low | 68.7 | Low | 187 Ų | 187 | 94.3 Ų | 94.3 | 71% | 0.706 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.2 | -36.6 | 174.8 | -72.4 | 175.6 | 64.7 | 145.5 | 3.6 | 112.7 | L195 R196 A197 L202 | L195-R199 WeakPolarHBondContact O-CB 3.3Å; L195-R199 VanDerWaalsContact O-CD 3.28Å; L195-R199 WeakPolarHBondContact O-CD 3.04Å; L195-R199 WeakPolarHBondContact O-CG 3.46Å; L195-R199 PolarHBondContact O-N 3.33Å; R196-R199 PolarHBondContact O-N 3.32Å; A197-R199 PolarHBondContact O-N 2.78Å; R199-L202 PolarHBondContact O-N 3.37Å |
| 200 | N | 60.1 | Low | 66.4 | Low | 135 Ų | 135 | 99 Ų | 99 | 72% | 0.722 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66 | -40.1 | 177 | -163.9 | 55.3 | 0 | 0 | 0 | 111.8 | R196 A197 L202 G203 | R196-N200 WeakPolarHBondContact O-CB 3.24Å; R196-N200 PolarHBondContact O-N 2.85Å; A197-N200 PolarHBondContact O-N 3.11Å; N200-L202 PolarHBondContact O-N 3Å; N200-L202 VanDerWaalsContact O-N 3.14Å; N200-G203 PolarHBondContact O-N 3.36Å; N200-G203 VanDerWaalsContact O-N 3.08Å |
| 201 | K | 51.2 | Low | 64.2 | Low | 192 Ų | 192 | 96.4 Ų | 96.4 | 84% | 0.835 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -64.5 | -16.2 | 177.8 | -164.2 | 173.8 | -179.2 | -178.5 | 0 | 113.9 | A197 S198 | A197-K201 PolarHBondContact O-N 3.47Å; A197-K201 VanDerWaalsContact O-N 3.1Å; S198-K201 PolarHBondContact O-N 2.94Å |
| 202 | L | 50.6 | Low | 62.1 | Low | 88 Ų | 88 | 97.3 Ų | 97.3 | 46% | 0.461 | 56% | 0.563 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -100.8 | 2.6 | 175.8 | -64.2 | 178.8 | 0 | 0 | 0 | 114.1 | R199 N200 V204 C248 | R199-L202 PolarHBondContact O-N 3.37Å; N200-L202 PolarHBondContact O-N 3Å; N200-L202 VanDerWaalsContact O-N 3.14Å; L202-V204 HydrophobicContact CB-CG2 4.45Å; L202-V204 PolarHBondContact O-N 3.36Å; L202-C248 HydrophobicContact CD1-CB 4.43Å; L202-C248 HydrophobicContact CD2-CB 4.07Å |
| 203 | G | 49.8 | Very low | 60.1 | Low | 51 Ų | 51 | 101.6 Ų | 101.6 | 53% | 0.526 | 59% | 0.593 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 63.2 | 17.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | N200 S205 | N200-G203 PolarHBondContact O-N 3.36Å; N200-G203 VanDerWaalsContact O-N 3.08Å; G203-S205 PolarHBondContact O-N 3.39Å |
| 204 | V | 49.2 | Very low | 58.5 | Low | 118 Ų | 118 | 104.7 Ų | 104.7 | 72% | 0.715 | 61% | 0.606 | S | S | * | * | trans | -78 | 70.7 | -177.3 | -171.3 | 0 | 0 | 0 | 0 | 111.2 | L202 F206 | L202-V204 HydrophobicContact CB-CG2 4.45Å; L202-V204 PolarHBondContact O-N 3.36Å; V204-F206 PolarHBondContact O-N 3.34Å | ||
| 205 | S | 44.1 | Very low | 56.8 | Low | 93 Ų | 93 | 105.7 Ų | 105.7 | 65% | 0.65 | 62% | 0.621 | S | S | * | * | trans | -67.5 | 111.9 | 164.9 | -70.1 | 0 | 0 | 0 | 0 | 109.4 | G203 S207 | G203-S205 PolarHBondContact O-N 3.39Å; S205-S207 PolarHBondContact O-N 3.19Å | ||
| 206 | F | 46.7 | Very low | 56 | Low | 205 Ų | 205 | 105.1 Ų | 105.1 | 90% | 0.899 | 63% | 0.634 | S | S | * | * | trans | -76.4 | -6 | 179.2 | -173.5 | -106.4 | 0 | 0 | 0 | 113.3 | V204 | V204-F206 PolarHBondContact O-N 3.34Š| ||
| 207 | S | 41.3 | Very low | 55.7 | Low | 76 Ų | 76 | 105 Ų | 105 | 53% | 0.531 | 64% | 0.637 | S | S | . | * | S | Bend | trans | -73.5 | 119.2 | 167.5 | 50 | 0 | 0 | 0 | 0 | 110.2 | S205 S209 | S205-S207 PolarHBondContact O-N 3.19Å; S207-S209 PolarHBondContact O-N 2.78Å |
| 208 | G | 44.6 | Very low | 56 | Low | 83 Ų | 83 | 104.5 Ų | 104.5 | 86% | 0.856 | 63% | 0.627 | S | S | * | * | trans | -72.3 | 46.1 | -172.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 209 | S | 41.1 | Very low | 56.8 | Low | 73 Ų | 73 | 104.8 Ų | 104.8 | 51% | 0.51 | 63% | 0.626 | S | S | . | * | S | Bend | trans | -97 | 135.4 | 166 | 51.5 | 0 | 0 | 0 | 0 | 109.4 | S207 | S207-S209 PolarHBondContact O-N 2.78Š|
| 210 | P | 47.3 | Very low | 57.8 | Low | 104 Ų | 104 | 97.2 Ų | 97.2 | 68% | 0.675 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 132.7 | 174.6 | 27.1 | -33.7 | 0 | 0 | 0 | 110 | ||
| 211 | P | 50.9 | Low | 59.4 | Low | 62 Ų | 62 | 97.3 Ų | 97.3 | 40% | 0.403 | 60% | 0.596 | S | S | . | * | P | Polyproline II helix | trans | -67.4 | 135.9 | 175.8 | 28.3 | -33.4 | 0 | 0 | 0 | 110 | Y250 | P211-Y250 HydrophobicContact CG-CD1 4.3Š|
| 212 | T | 50.9 | Low | 61.4 | Low | 112 Ų | 112 | 88.4 Ų | 88.4 | 69% | 0.687 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 142.7 | 168.5 | 38.7 | 0 | 0 | 0 | 0 | 109.9 | L214 | T212-L214 PolarHBondContact O-N 2.71Š|
| 213 | P | 53.2 | Low | 63.4 | Low | 115 Ų | 115 | 92.8 Ų | 92.8 | 75% | 0.747 | 57% | 0.568 | S | S | * | * | trans | -60.7 | 111.8 | -178 | -25.1 | 35.1 | 0 | 0 | 0 | 112.2 | ||||
| 214 | L | 59.3 | Low | 65.4 | Low | 105 Ų | 105 | 90.7 Ų | 90.7 | 55% | 0.55 | 54% | 0.544 | S | S | . | . | trans | -87.4 | 140.6 | 175.2 | -67.9 | 171.4 | 0 | 0 | 0 | 110.1 | T212 G216 Q217 | T212-L214 PolarHBondContact O-N 2.71Å; L214-G216 PolarHBondContact O-N 3.3Å; L214-Q217 PolarHBondContact O-N 3.04Å | ||
| 215 | P | 54.5 | Low | 67.4 | Low | 136 Ų | 136 | 88.3 Ų | 88.3 | 88% | 0.883 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 113 | 174.8 | 25.9 | -33.4 | 0 | 0 | 0 | 109.8 | ||
| 216 | G | 71.4 | Confident | 69.5 | Low | 66 Ų | 66 | 90.3 Ų | 90.3 | 68% | 0.68 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 120.1 | -10.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | L214 | L214-G216 PolarHBondContact O-N 3.3Š|
| 217 | Q | 80.6 | Confident | 71.5 | Confident | 76 Ų | 76 | 92 Ų | 92 | 36% | 0.355 | 53% | 0.526 | S | S | . | . | trans | -103 | 143.6 | 164.8 | -70.8 | -177.3 | -26.3 | 0 | 0 | 111 | L214 T265 G266 | L214-Q217 PolarHBondContact O-N 3.04Å; Q217-T265 HydrophobicContact CB-CG2 4.33Å; Q217-G266 CarbonylContact C-O 3.14Å; Q217-G266 VanDerWaalsContact CA-O 3.29Å; Q217-G266 WeakPolarHBondContact CA-O 3.34Å | ||
| 218 | T | 85.8 | Confident | 73.8 | Confident | 53 Ų | 53 | 88.9 Ų | 88.9 | 33% | 0.325 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 159.6 | 167.9 | -167.6 | 0 | 0 | 0 | 0 | 110.1 | I220 T265 G266 P268 A271 | T218-I220 HydrophobicContact CG2-CG1 4.24Å; T218-T265 WeakPolarHBondContact O-CA 3.25Å; T218-G266 PolarHBondContact N-O 3.26Å; T218-G266 PolarHBondContact O-N 3.49Å; T218-G266 VanDerWaalsContact O-N 3.1Å; T218-P268 HydrophobicContact CG2-CB 4.18Å; T218-A271 HydrophobicContact CG2-CB 3.8Å |
| 219 | T | 89.8 | Confident | 76 | Confident | 70 Ų | 70 | 86 Ų | 86 | 43% | 0.429 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 121.3 | 169.4 | 44.5 | 0 | 0 | 0 | 0 | 110.3 | I264 T265 | T219-I264 CarbonylContact C-O 3.6Å; T219-I264 VanDerWaalsContact CA-O 3.31Å; T219-I264 WeakPolarHBondContact CA-O 3.22Å; T219-T265 HydrophobicContact CG2-CG2 3.94Å |
| 220 | I | 91.9 | Very high | 78.4 | Confident | 28 Ų | 28 | 85 Ų | 85 | 14% | 0.144 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 135.7 | 176.2 | -61.1 | -174.5 | 0 | 0 | 0 | 108.8 | T218 V222 I264 A271 E272 R275 | T218-I220 HydrophobicContact CG2-CG1 4.24Å; I220-V222 HydrophobicContact CG2-CG2 4.24Å; I220-I264 HydrophobicContact CB-CB 4.44Å; I220-I264 PolarHBondContact N-O 3.4Å; I220-I264 WeakPolarHBondContact O-CB 3.45Å; I220-I264 PolarHBondContact O-N 2.79Å; I220-A271 HydrophobicContact CD1-CB 3.56Å; I220-A271 HydrophobicContact CG1-CB 3.93Å; I220-E272 WeakPolarHBondContact CD1-OE2 3.44Å; I220-R275 HydrophobicContact CG2-CB 4.44Å |
| 221 | Q | 92.9 | Very high | 80.5 | Confident | 138 Ų | 138 | 84 Ų | 84 | 65% | 0.645 | 46% | 0.46 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 123.5 | 178.2 | -69.4 | -174.7 | 23.1 | 0 | 0 | 110.6 | V261 F262 | Q221-V261 HydrophobicContact CB-CG1 3.74Å; Q221-V261 HydrophobicContact CG-CG1 4.12Å; Q221-F262 WeakPolarHBondContact CA-O 3.34Å |
| 222 | V | 93.4 | Very high | 82.5 | Confident | 4 Ų | 4 | 81.1 Ų | 81.1 | 2% | 0.024 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 105.5 | -178.3 | -173.4 | 0 | 0 | 0 | 0 | 109.2 | I220 V224 V261 F262 I264 R275 I278 E279 | I220-V222 HydrophobicContact CG2-CG2 4.24Å; V222-V224 HydrophobicContact CG1-CG1 4.04Å; V222-V261 WeakPolarHBondContact O-CA 3.48Å; V222-F262 HydrophobicContact CB-CB 4.49Å; V222-F262 PolarHBondContact N-O 3.28Å; V222-F262 PolarHBondContact O-N 2.93Å; V222-I264 HydrophobicContact CG2-CD1 3.53Å; V222-I264 HydrophobicContact CG2-CG1 4.31Å; V222-R275 HydrophobicContact CG1-CG 4.46Å; V222-R275 HydrophobicContact CG2-CB 3.7Å; V222-R275 HydrophobicContact CG2-CG 3.6Å; V222-I278 HydrophobicContact CG1-CG2 4.13Å; V222-E279 HydrophobicContact CG1-CG 4.29Å |
| 223 | R | 92.4 | Very high | 84.5 | Confident | 181 Ų | 181 | 77.3 Ų | 77.3 | 68% | 0.683 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84 | 129 | 177.3 | -166 | 178.4 | -158.4 | -172.8 | 8 | 109.8 | D259 V261 | R223-D259 IonicContact CZ-OD1 3.31Å; R223-D259 IonicContact NE-OD1 3.15Å; R223-D259 IonicContact NH2-OD1 3.66Å; R223-D259 PolarHBondContact NH2-OD1 3.49Å; R223-V261 HydrophobicContact CB-CG2 4.08Å; R223-V261 HydrophobicContact CG-CG2 3.95Å |
| 224 | V | 91.4 | Very high | 86.4 | Confident | 6 Ų | 6 | 72.4 Ų | 72.4 | 4% | 0.036 | 39% | 0.388 | C | S | . | . | trans | -132.9 | 153.2 | -180 | -46.1 | 0 | 0 | 0 | 0 | 110.8 | V222 Y226 V228 V229 P260 F262 I278 I282 | V222-V224 HydrophobicContact CG1-CG1 4.04Å; V224-Y226 PolarHBondContact O-N 3.1Å; V224-V228 HydrophobicContact CB-CG2 3.97Å; V224-V228 HydrophobicContact CG2-CG2 3.98Å; V224-V229 HydrophobicContact CG2-CG2 3.6Å; V224-P260 PolarHBondContact N-O 3.5Å; V224-P260 WeakPolarHBondContact O-CB 3.34Å; V224-P260 WeakPolarHBondContact O-CG 3.42Å; V224-F262 HydrophobicContact CG1-CD2 4.28Å; V224-F262 HydrophobicContact CG2-CD2 4.14Å; V224-F262 HydrophobicContact CG2-CE2 3.75Å; V224-I278 HydrophobicContact CG1-CG2 4.22Å; V224-I282 HydrophobicContact CB-CD1 3.76Å; V224-I282 HydrophobicContact CG1-CD1 3.49Å; V224-I282 VanDerWaalsContact CG1-CD1 3.49Å; V224-I282 HydrophobicContact CG2-CD1 4.5Å | ||
| 225 | P | 90.9 | Very high | 87.9 | Confident | 68 Ų | 68 | 72.5 Ų | 72.5 | 44% | 0.442 | 40% | 0.395 | S | S | . | . | trans | -59 | 138.1 | 175.5 | -26.2 | 34.7 | 0 | 0 | 0 | 112.9 | R227 V228 V229 | P225-R227 PolarHBondContact O-N 3.45Å; P225-V228 HydrophobicContact CB-CG2 4.29Å; P225-V228 HydrophobicContact CG-CG2 4.45Å; P225-V228 VanDerWaalsContact O-CG2 3.23Å; P225-V228 WeakPolarHBondContact O-CG2 3.27Å; P225-V228 PolarHBondContact O-N 2.83Å; P225-V229 PolarHBondContact O-N 3.17Å | ||
| 226 | Y | 88.8 | Confident | 89.6 | Confident | 136 Ų | 136 | 75.9 Ų | 75.9 | 53% | 0.533 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -47.8 | -36.6 | 178.7 | -77 | -80.5 | 0 | 0 | 0 | 113.8 | V224 V228 V229 R258 P260 | V224-Y226 PolarHBondContact O-N 3.1Å; Y226-V228 VanDerWaalsContact C-N 3.25Å; Y226-V228 PolarHBondContact O-N 3.33Å; Y226-V229 PolarHBondContact O-N 3.25Å; Y226-R258 WeakPolarHBondContact CE1-O 3.34Å; Y226-R258 PolarHBondContact OH-O 2.7Å; Y226-P260 HydrophobicContact CD1-CB 3.96Å; Y226-P260 HydrophobicContact CD1-CG 4.27Å; Y226-P260 HydrophobicContact CD2-CG 3.99Å; Y226-P260 HydrophobicContact CE1-CB 4.08Å; Y226-P260 HydrophobicContact CE1-CG 4.21Å; Y226-P260 HydrophobicContact CE2-CG 3.92Å; Y226-P260 HydrophobicContact CG-CB 4.2Å; Y226-P260 HydrophobicContact CG-CG 4.17Å |
| 227 | R | 88.4 | Confident | 90.6 | Very high | 240 Ų | 240 | 73.2 Ų | 73.2 | 91% | 0.906 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -62.4 | -26.7 | 179.4 | -60.7 | -174 | -174.8 | -172.5 | 3.7 | 113.6 | P225 | P225-R227 PolarHBondContact O-N 3.45Å |
| 228 | V | 90.5 | Very high | 91.2 | Very high | 10 Ų | 10 | 72.5 Ų | 72.5 | 6% | 0.061 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -102.2 | -12.8 | -176.9 | -54.9 | 0 | 0 | 0 | 0 | 114.1 | V224 P225 Y226 G230 L231 V232 I282 | V224-V228 HydrophobicContact CB-CG2 3.97Å; V224-V228 HydrophobicContact CG2-CG2 3.98Å; P225-V228 HydrophobicContact CB-CG2 4.29Å; P225-V228 HydrophobicContact CG-CG2 4.45Å; P225-V228 VanDerWaalsContact O-CG2 3.23Å; P225-V228 WeakPolarHBondContact O-CG2 3.27Å; P225-V228 PolarHBondContact O-N 2.83Å; Y226-V228 VanDerWaalsContact C-N 3.25Å; Y226-V228 PolarHBondContact O-N 3.33Å; V228-G230 PolarHBondContact O-N 2.97Å; V228-L231 HydrophobicContact CB-CD1 4.35Å; V228-L231 HydrophobicContact CG1-CD1 4.25Å; V228-L231 WeakPolarHBondContact O-CA 3.37Å; V228-L231 WeakPolarHBondContact O-CB 3.3Å; V228-L231 PolarHBondContact O-N 3.15Å; V228-V232 PolarHBondContact O-N 3.21Å; V228-I282 HydrophobicContact CB-CG1 4.27Å; V228-I282 HydrophobicContact CB-CG2 4.36Å; V228-I282 HydrophobicContact CG1-CG2 4.27Å; V228-I282 HydrophobicContact CG2-CD1 3.87Å; V228-I282 HydrophobicContact CG2-CG1 3.88Å; V228-I282 HydrophobicContact CG2-CG2 4.02Å |
| 229 | V | 90.5 | Very high | 91.6 | Very high | 23 Ų | 23 | 70.5 Ų | 70.5 | 14% | 0.139 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -51.1 | -44.9 | 175 | 178.2 | 0 | 0 | 0 | 0 | 111.2 | V224 P225 Y226 L231 V232 V233 P254 P260 F262 | V224-V229 HydrophobicContact CG2-CG2 3.6Å; P225-V229 PolarHBondContact O-N 3.17Å; Y226-V229 PolarHBondContact O-N 3.25Å; V229-L231 VanDerWaalsContact C-N 3.28Å; V229-L231 PolarHBondContact O-N 3.24Å; V229-V232 PolarHBondContact O-N 3.04Å; V229-V233 HydrophobicContact CG1-CG2 4.42Å; V229-V233 WeakPolarHBondContact O-CG2 3.28Å; V229-V233 PolarHBondContact O-N 2.88Å; V229-P254 HydrophobicContact CG1-CG 4.4Å; V229-P260 HydrophobicContact CG2-CB 3.73Å; V229-F262 HydrophobicContact CG1-CE2 4.32Å; V229-F262 HydrophobicContact CG1-CZ 3.95Å |
| 230 | G | 91.4 | Very high | 91.8 | Very high | 53 Ų | 53 | 67.5 Ų | 67.5 | 55% | 0.546 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.6 | -27.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | V228 G234 | V228-G230 PolarHBondContact O-N 2.97Å; G230-G234 PolarHBondContact O-N 3.31Å |
| 231 | L | 91.1 | Very high | 92 | Very high | 83 Ų | 83 | 72.3 Ų | 72.3 | 44% | 0.435 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -76.7 | -44 | 176.2 | -56.2 | 177.2 | 0 | 0 | 0 | 111 | V228 V229 G234 | V228-L231 HydrophobicContact CB-CD1 4.35Å; V228-L231 HydrophobicContact CG1-CD1 4.25Å; V228-L231 WeakPolarHBondContact O-CA 3.37Å; V228-L231 WeakPolarHBondContact O-CB 3.3Å; V228-L231 PolarHBondContact O-N 3.15Å; V229-L231 VanDerWaalsContact C-N 3.28Å; V229-L231 PolarHBondContact O-N 3.24Å; L231-G234 PolarHBondContact O-N 3.08Å |
| 232 | V | 93.1 | Very high | 92 | Very high | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.1 | -41.4 | 176.3 | 174.8 | 0 | 0 | 0 | 0 | 111.3 | V228 V229 T239 I240 F262 I278 I282 | V228-V232 PolarHBondContact O-N 3.21Å; V229-V232 PolarHBondContact O-N 3.04Å; V232-T239 WeakPolarHBondContact O-CB 3.1Å; V232-T239 WeakPolarHBondContact O-CG2 3.17Å; V232-I240 HydrophobicContact CG1-CD1 4.07Å; V232-I240 PolarHBondContact O-N 3.29Å; V232-I240 VanDerWaalsContact O-N 3.15Å; V232-F262 HydrophobicContact CB-CE2 4.18Å; V232-F262 HydrophobicContact CB-CZ 3.98Å; V232-F262 HydrophobicContact CG1-CE1 4.18Å; V232-F262 HydrophobicContact CG1-CE2 3.84Å; V232-F262 HydrophobicContact CG1-CZ 3.6Å; V232-I278 HydrophobicContact CG1-CD1 4.41Å; V232-I278 HydrophobicContact CG1-CG1 4.05Å; V232-I278 HydrophobicContact CG1-CG2 4.01Å; V232-I278 HydrophobicContact CG2-CG2 4.23Å; V232-I282 HydrophobicContact CG2-CD1 3.84Å; V232-I282 HydrophobicContact CG2-CG1 3.59Å |
| 233 | V | 93.6 | Very high | 92 | Very high | 32 Ų | 32 | 71 Ų | 71 | 19% | 0.194 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -67.5 | -48.9 | 172.8 | 175.3 | 0 | 0 | 0 | 0 | 110.6 | V229 G237 S238 T239 I240 T253 F262 | V229-V233 HydrophobicContact CG1-CG2 4.42Å; V229-V233 WeakPolarHBondContact O-CG2 3.28Å; V229-V233 PolarHBondContact O-N 2.88Å; V233-G237 CarbonylContact O-C 3.52Å; V233-G237 WeakPolarHBondContact O-CA 3.44Å; V233-S238 PolarHBondContact O-N 3.48Å; V233-T239 WeakPolarHBondContact O-CB 3.48Å; V233-T239 PolarHBondContact O-N 2.99Å; V233-T239 VanDerWaalsContact O-N 3.08Å; V233-I240 HydrophobicContact CB-CG2 4.44Å; V233-I240 HydrophobicContact CG1-CG2 4.26Å; V233-I240 PolarHBondContact O-N 3.34Å; V233-T253 HydrophobicContact CG2-CG2 3.48Å; V233-T253 VanDerWaalsContact CG2-CG2 3.48Å; V233-F262 HydrophobicContact CG2-CE1 4.15Å; V233-F262 HydrophobicContact CG2-CZ 4.1Å |
| 234 | G | 91.3 | Very high | 92.1 | Very high | 13 Ų | 13 | 64.2 Ų | 64.2 | 13% | 0.134 | 33% | 0.325 | C | S | . | . | trans | 71.3 | 174.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114 | G230 L231 K236 G237 | G230-G234 PolarHBondContact O-N 3.31Å; L231-G234 PolarHBondContact O-N 3.08Å; G234-K236 PolarHBondContact O-N 2.96Å; G234-G237 PolarHBondContact O-N 3.05Å | ||
| 235 | P | 92.2 | Very high | 92.2 | Very high | 107 Ų | 107 | 71.4 Ų | 71.4 | 70% | 0.695 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -58.9 | 126.3 | -177.5 | 24.1 | -33.8 | 0 | 0 | 0 | 111.1 | G237 S238 | P235-G237 PolarHBondContact O-N 3.08Å; P235-G237 VanDerWaalsContact O-N 3.11Å; P235-S238 WeakPolarHBondContact O-CB 3.46Å; P235-S238 PolarHBondContact O-N 2.87Å |
| 236 | K | 89.8 | Confident | 92.3 | Very high | 206 Ų | 206 | 73.4 Ų | 73.4 | 90% | 0.896 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | 55.2 | 22.5 | -176.7 | -56 | -177.9 | 179.4 | -179.7 | 0 | 114.7 | G234 S238 K241 | G234-K236 PolarHBondContact O-N 2.96Å; K236-S238 VanDerWaalsContact C-N 3.31Å; K236-K241 PolarHBondContact O-NZ 3.5Å |
| 237 | G | 91.6 | Very high | 92.5 | Very high | 10 Ų | 10 | 67 Ų | 67 | 10% | 0.103 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | 75.3 | 15.8 | -174 | 0 | 0 | 0 | 0 | 0 | 114 | V233 G234 P235 T239 K241 | V233-G237 CarbonylContact O-C 3.52Å; V233-G237 WeakPolarHBondContact O-CA 3.44Å; G234-G237 PolarHBondContact O-N 3.05Å; P235-G237 PolarHBondContact O-N 3.08Å; P235-G237 VanDerWaalsContact O-N 3.11Å; G237-T239 VanDerWaalsContact C-N 3.27Å; G237-T239 PolarHBondContact O-N 3.13Å; G237-K241 VanDerWaalsContact O-CB 3.25Å; G237-K241 WeakPolarHBondContact O-CB 3.27Å; G237-K241 WeakPolarHBondContact O-CD 3.43Å; G237-K241 WeakPolarHBondContact O-CG 3.44Å; G237-K241 PolarHBondContact O-N 3.25Å |
| 238 | S | 95.1 | Very high | 92.5 | Very high | 62 Ų | 62 | 58 Ų | 58 | 43% | 0.434 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -67.4 | -21.8 | -173.1 | -173.5 | 0 | 0 | 0 | 0 | 114.4 | V233 P235 K236 | V233-S238 PolarHBondContact O-N 3.48Å; P235-S238 WeakPolarHBondContact O-CB 3.46Å; P235-S238 PolarHBondContact O-N 2.87Å; K236-S238 VanDerWaalsContact C-N 3.31Å |
| 239 | T | 94.1 | Very high | 92.7 | Very high | 11 Ų | 11 | 58.1 Ų | 58.1 | 7% | 0.067 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -80.1 | -57.6 | 175.2 | -62.9 | 0 | 0 | 0 | 0 | 109.1 | V232 V233 G237 K241 R242 I243 H281 | V232-T239 WeakPolarHBondContact O-CB 3.1Å; V232-T239 WeakPolarHBondContact O-CG2 3.17Å; V233-T239 WeakPolarHBondContact O-CB 3.48Å; V233-T239 PolarHBondContact O-N 2.99Å; V233-T239 VanDerWaalsContact O-N 3.08Å; G237-T239 VanDerWaalsContact C-N 3.27Å; G237-T239 PolarHBondContact O-N 3.13Å; T239-K241 PolarHBondContact O-N 3.08Å; T239-R242 WeakPolarHBondContact O-CA 3.15Å; T239-R242 WeakPolarHBondContact O-CB 3.28Å; T239-R242 PolarHBondContact O-N 3.22Å; T239-I243 HydrophobicContact CG2-CD1 4.13Å; T239-I243 PolarHBondContact O-N 3.02Å; T239-H281 WeakPolarHBondContact CG2-CE1 3.41Å; T239-H281 WeakPolarHBondContact CG2-NE2 3.33Å |
| 240 | I | 94.1 | Very high | 92.8 | Very high | 6 Ų | 6 | 61.4 Ų | 61.4 | 3% | 0.031 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.9 | -27.9 | -176.7 | -164.3 | 58.7 | 0 | 0 | 0 | 113.4 | V232 V233 I243 Q244 I251 F262 I278 | V232-I240 HydrophobicContact CG1-CD1 4.07Å; V232-I240 PolarHBondContact O-N 3.29Å; V232-I240 VanDerWaalsContact O-N 3.15Å; V233-I240 HydrophobicContact CB-CG2 4.44Å; V233-I240 HydrophobicContact CG1-CG2 4.26Å; V233-I240 PolarHBondContact O-N 3.34Å; I240-I243 HydrophobicContact CD1-CD1 4.2Å; I240-Q244 WeakPolarHBondContact O-CB 3.26Å; I240-Q244 VanDerWaalsContact O-CG 3.29Å; I240-Q244 WeakPolarHBondContact O-CG 3.46Å; I240-Q244 PolarHBondContact O-N 3.49Å; I240-Q244 VanDerWaalsContact O-N 3.11Å; I240-Q244 PolarHBondContact O-NE2 3.32Å; I240-I251 HydrophobicContact CD1-CB 4.22Å; I240-I251 HydrophobicContact CD1-CD1 3.88Å; I240-I251 HydrophobicContact CD1-CG2 3.93Å; I240-I251 HydrophobicContact CG1-CB 4.38Å; I240-I251 HydrophobicContact CG1-CG2 4.31Å; I240-F262 HydrophobicContact CD1-CE1 4.39Å; I240-F262 HydrophobicContact CG1-CE1 4.46Å; I240-I278 HydrophobicContact CD1-CD1 3.98Å; I240-I278 HydrophobicContact CD1-CG1 4.43Å |
| 241 | K | 94.3 | Very high | 93 | Very high | 129 Ų | 129 | 59.2 Ų | 59.2 | 56% | 0.561 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -70.5 | -32.6 | 170.2 | -74.2 | 169.4 | -177.8 | 164.4 | 0 | 113 | K236 G237 T239 Q245 | K236-K241 PolarHBondContact O-NZ 3.5Å; G237-K241 VanDerWaalsContact O-CB 3.25Å; G237-K241 WeakPolarHBondContact O-CB 3.27Å; G237-K241 WeakPolarHBondContact O-CD 3.43Å; G237-K241 WeakPolarHBondContact O-CG 3.44Å; G237-K241 PolarHBondContact O-N 3.25Å; T239-K241 PolarHBondContact O-N 3.08Å; K241-Q245 WeakPolarHBondContact O-CB 3.48Å; K241-Q245 PolarHBondContact O-N 3.43Å; K241-Q245 VanDerWaalsContact O-N 3.13Å |
| 242 | R | 93.7 | Very high | 93.1 | Very high | 114 Ų | 114 | 57.4 Ų | 57.4 | 43% | 0.43 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -68.5 | -47.3 | 174.4 | -168.8 | -164.9 | -64.4 | 109.7 | -0 | 110.3 | T239 Q245 Q246 | T239-R242 WeakPolarHBondContact O-CA 3.15Å; T239-R242 WeakPolarHBondContact O-CB 3.28Å; T239-R242 PolarHBondContact O-N 3.22Å; R242-Q245 CarbonylContact O-C 3.58Å; R242-Q245 PolarHBondContact O-N 3.42Å; R242-Q245 VanDerWaalsContact O-N 3.08Å; R242-Q246 HydrophobicContact CG-CG 4.31Å; R242-Q246 PolarHBondContact O-N 3.1Å |
| 243 | I | 94.3 | Very high | 93 | Very high | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -53.3 | -59.5 | 176.4 | -60 | 175.8 | 0 | 0 | 0 | 109 | T239 I240 Q245 Q246 T247 I251 A274 E277 I278 | T239-I243 HydrophobicContact CG2-CD1 4.13Å; T239-I243 PolarHBondContact O-N 3.02Å; I240-I243 HydrophobicContact CD1-CD1 4.2Å; I243-Q245 PolarHBondContact O-N 3.34Å; I243-Q246 PolarHBondContact O-N 3.31Å; I243-T247 HydrophobicContact CG2-CG2 4.02Å; I243-T247 WeakPolarHBondContact O-CB 3.23Å; I243-T247 WeakPolarHBondContact O-CG2 3.49Å; I243-T247 PolarHBondContact O-N 2.87Å; I243-T247 PolarHBondContact O-OG1 2.84Å; I243-I251 HydrophobicContact CG2-CD1 3.97Å; I243-A274 HydrophobicContact CG2-CB 4.43Å; I243-E277 HydrophobicContact CD1-CG 4.49Å; I243-E277 HydrophobicContact CG1-CG 4.09Å; I243-E277 HydrophobicContact CG2-CB 4.23Å; I243-E277 HydrophobicContact CG2-CG 4.34Å; I243-I278 HydrophobicContact CD1-CG1 3.75Å; I243-I278 HydrophobicContact CG2-CG1 4.34Å |
| 244 | Q | 94 | Very high | 92.7 | Very high | 39 Ų | 39 | 59.5 Ų | 59.5 | 18% | 0.182 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -49.1 | -36.9 | 175.7 | -77.4 | 172.8 | 95.7 | 0 | 0 | 114.2 | I240 C248 T249 I251 | I240-Q244 WeakPolarHBondContact O-CB 3.26Å; I240-Q244 VanDerWaalsContact O-CG 3.29Å; I240-Q244 WeakPolarHBondContact O-CG 3.46Å; I240-Q244 PolarHBondContact O-N 3.49Å; I240-Q244 VanDerWaalsContact O-N 3.11Å; I240-Q244 PolarHBondContact O-NE2 3.32Å; Q244-C248 VanDerWaalsContact O-CA 3.24Å; Q244-C248 WeakPolarHBondContact O-CA 3.33Å; Q244-C248 PolarHBondContact O-N 3.37Å; Q244-T249 WeakPolarHBondContact CA-O 3.24Å; Q244-T249 VanDerWaalsContact CB-O 3.29Å; Q244-T249 WeakPolarHBondContact CB-O 3.29Å; Q244-T249 VanDerWaalsContact CG-O 3.3Å; Q244-T249 WeakPolarHBondContact CG-O 3.39Å; Q244-T249 PolarHBondContact O-N 2.9Å; Q244-I251 HydrophobicContact CG-CB 3.8Å; Q244-I251 HydrophobicContact CG-CD1 3.78Å; Q244-I251 HydrophobicContact CG-CG1 3.59Å |
| 245 | Q | 93.6 | Very high | 92.4 | Very high | 157 Ų | 157 | 61.2 Ų | 61.2 | 73% | 0.734 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -77.8 | -34.3 | 178.4 | -173.6 | 177.4 | 7.7 | 0 | 0 | 113.5 | K241 R242 I243 | K241-Q245 WeakPolarHBondContact O-CB 3.48Å; K241-Q245 PolarHBondContact O-N 3.43Å; K241-Q245 VanDerWaalsContact O-N 3.13Å; R242-Q245 CarbonylContact O-C 3.58Å; R242-Q245 PolarHBondContact O-N 3.42Å; R242-Q245 VanDerWaalsContact O-N 3.08Å; I243-Q245 PolarHBondContact O-N 3.34Å |
| 246 | Q | 92.2 | Very high | 91.8 | Very high | 109 Ų | 109 | 67.1 Ų | 67.1 | 51% | 0.509 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -80.5 | -28.1 | 179 | -74.7 | -172.6 | -126.3 | 0 | 0 | 113 | R242 I243 | R242-Q246 HydrophobicContact CG-CG 4.31Å; R242-Q246 PolarHBondContact O-N 3.1Å; I243-Q246 PolarHBondContact O-N 3.31Å |
| 247 | T | 93.8 | Very high | 91.5 | Very high | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.006 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -94.5 | -20.5 | 179.3 | 62.3 | 0 | 0 | 0 | 0 | 112.1 | I243 T249 N270 A274 | I243-T247 HydrophobicContact CG2-CG2 4.02Å; I243-T247 WeakPolarHBondContact O-CB 3.23Å; I243-T247 WeakPolarHBondContact O-CG2 3.49Å; I243-T247 PolarHBondContact O-N 2.87Å; I243-T247 PolarHBondContact O-OG1 2.84Å; T247-T249 VanDerWaalsContact C-N 3.35Å; T247-T249 PolarHBondContact OG1-N 3.07Å; T247-T249 PolarHBondContact OG1-OG1 3.08Å; T247-N270 WeakPolarHBondContact O-CB 3.43Å; T247-N270 PolarHBondContact O-ND2 3.15Å; T247-N270 VanDerWaalsContact O-ND2 3.09Å; T247-A274 VanDerWaalsContact CG2-CA 3.42Å; T247-A274 HydrophobicContact CG2-CB 3.53Å |
| 248 | C | 89.1 | Confident | 91.1 | Very high | 52 Ų | 52 | 70.9 Ų | 70.9 | 35% | 0.351 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 48.4 | -167.3 | -59.4 | 0 | 0 | 0 | 0 | 112.1 | L202 Q244 | L202-C248 HydrophobicContact CD1-CB 4.43Å; L202-C248 HydrophobicContact CD2-CB 4.07Å; Q244-C248 VanDerWaalsContact O-CA 3.24Å; Q244-C248 WeakPolarHBondContact O-CA 3.33Å; Q244-C248 PolarHBondContact O-N 3.37Å |
| 249 | T | 93.7 | Very high | 90.7 | Very high | 12 Ų | 12 | 72.1 Ų | 72.1 | 7% | 0.074 | 34% | 0.34 | C | S | . | . | trans | -117.4 | 158.8 | 172.5 | 60.8 | 0 | 0 | 0 | 0 | 111.2 | Q244 T247 I264 T265 N270 A274 | Q244-T249 WeakPolarHBondContact CA-O 3.24Å; Q244-T249 VanDerWaalsContact CB-O 3.29Å; Q244-T249 WeakPolarHBondContact CB-O 3.29Å; Q244-T249 VanDerWaalsContact CG-O 3.3Å; Q244-T249 WeakPolarHBondContact CG-O 3.39Å; Q244-T249 PolarHBondContact O-N 2.9Å; T247-T249 VanDerWaalsContact C-N 3.35Å; T247-T249 PolarHBondContact OG1-N 3.07Å; T247-T249 PolarHBondContact OG1-OG1 3.08Å; T249-I264 HydrophobicContact CG2-CG2 4.04Å; T249-T265 WeakPolarHBondContact CA-O 3.48Å; T249-T265 WeakPolarHBondContact CB-O 3.22Å; T249-N270 VanDerWaalsContact CG2-C 3.5Å; T249-N270 HydrophobicContact CG2-CB 3.85Å; T249-N270 VanDerWaalsContact CG2-O 3.3Å; T249-N270 WeakPolarHBondContact CG2-O 3.5Å; T249-A274 HydrophobicContact CG2-CB 3.88Å; T249-A274 WeakPolarHBondContact OG1-CB 3.4Å | ||
| 250 | Y | 93.6 | Very high | 90.6 | Very high | 93 Ų | 93 | 72 Ų | 72 | 37% | 0.365 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 132.3 | 165.7 | 180 | -108 | 0 | 0 | 0 | 108.4 | P211 V252 I264 T265 | P211-Y250 HydrophobicContact CG-CD1 4.3Å; Y250-V252 HydrophobicContact CD1-CG2 4.29Å; Y250-V252 HydrophobicContact CE1-CG2 3.73Å; Y250-I264 CarbonylContact O-C 3.57Å; Y250-I264 WeakPolarHBondContact O-CA 3.48Å; Y250-T265 PolarHBondContact N-O 3.34Å; Y250-T265 PolarHBondContact O-N 2.94Å |
| 251 | I | 94.1 | Very high | 90.5 | Very high | 6 Ų | 6 | 73.5 Ų | 73.5 | 3% | 0.031 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 111.2 | -177.1 | -53.8 | 176.3 | 0 | 0 | 0 | 111.2 | I240 I243 Q244 T253 F262 E263 I264 A274 I278 | I240-I251 HydrophobicContact CD1-CB 4.22Å; I240-I251 HydrophobicContact CD1-CD1 3.88Å; I240-I251 HydrophobicContact CD1-CG2 3.93Å; I240-I251 HydrophobicContact CG1-CB 4.38Å; I240-I251 HydrophobicContact CG1-CG2 4.31Å; I243-I251 HydrophobicContact CG2-CD1 3.97Å; Q244-I251 HydrophobicContact CG-CB 3.8Å; Q244-I251 HydrophobicContact CG-CD1 3.78Å; Q244-I251 HydrophobicContact CG-CG1 3.59Å; I251-T253 PolarHBondContact O-N 3.36Å; I251-F262 HydrophobicContact CG2-CB 4.04Å; I251-F262 HydrophobicContact CG2-CD1 3.84Å; I251-F262 HydrophobicContact CG2-CG 4.37Å; I251-E263 CarbonylContact C-O 3.59Å; I251-E263 WeakPolarHBondContact CA-O 3.17Å; I251-I264 HydrophobicContact CD1-CD1 4.41Å; I251-I264 HydrophobicContact CD1-CG1 4.28Å; I251-I264 HydrophobicContact CD1-CG2 4.47Å; I251-I264 HydrophobicContact CG1-CB 4.36Å; I251-I264 HydrophobicContact CG1-CG1 4.04Å; I251-I264 HydrophobicContact CG1-CG2 4.1Å; I251-I264 HydrophobicContact CG2-CG1 4.08Å; I251-A274 HydrophobicContact CD1-CB 4.16Å; I251-I278 HydrophobicContact CD1-CD1 4.02Å |
| 252 | V | 92.8 | Very high | 90.4 | Very high | 46 Ų | 46 | 67.4 Ų | 67.4 | 28% | 0.279 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 120.1 | 173.9 | -173.1 | 0 | 0 | 0 | 0 | 108.6 | Y250 E263 | Y250-V252 HydrophobicContact CD1-CG2 4.29Å; Y250-V252 HydrophobicContact CE1-CG2 3.73Å; V252-E263 HydrophobicContact CB-CB 4.07Å; V252-E263 HydrophobicContact CG2-CB 4.27Å; V252-E263 PolarHBondContact N-O 2.93Å; V252-E263 PolarHBondContact O-N 3.07Å |
| 253 | T | 91 | Very high | 90.5 | Very high | 57 Ų | 57 | 65.7 Ų | 65.7 | 35% | 0.35 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -82.7 | 128.2 | 172.1 | -60.6 | 0 | 0 | 0 | 0 | 109.4 | V233 I251 F262 | V233-T253 HydrophobicContact CG2-CG2 3.48Å; V233-T253 VanDerWaalsContact CG2-CG2 3.48Å; I251-T253 PolarHBondContact O-N 3.36Å; T253-F262 HydrophobicContact CG2-CE1 4.05Å |
| 254 | P | 88.3 | Confident | 90.5 | Very high | 18 Ų | 18 | 65.7 Ų | 65.7 | 12% | 0.117 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 152.2 | 178.4 | 24.7 | -32.7 | 0 | 0 | 0 | 112.3 | V229 D259 V261 | V229-P254 HydrophobicContact CG1-CG 4.4Å; P254-D259 WeakPolarHBondContact CB-O 3.13Å; P254-V261 WeakPolarHBondContact CB-O 3.34Å; P254-V261 WeakPolarHBondContact CD-O 3.41Å; P254-V261 WeakPolarHBondContact CG-O 3.38Å |
| 255 | S | 85.6 | Confident | 90.4 | Very high | 50 Ų | 50 | 64.4 Ų | 64.4 | 35% | 0.35 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 155.9 | 170.4 | -52.6 | 0 | 0 | 0 | 0 | 110.2 | D257 R258 | S255-D257 PolarHBondContact O-N 3.47Å; S255-R258 PolarHBondContact O-N 3.31Å; S255-R258 PolarHBondContact OG-NE 2.85Å; S255-R258 PolarHBondContact OG-NH2 3.26Å |
| 256 | R | 80.1 | Confident | 90.3 | Very high | 230 Ų | 230 | 57.1 Ų | 57.1 | 87% | 0.868 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -29.6 | 176.9 | -69.7 | -177.3 | 176.6 | 178.5 | -1.2 | 113 | ||
| 257 | D | 83.1 | Confident | 90.3 | Very high | 149 Ų | 149 | 54.1 Ų | 54.1 | 80% | 0.797 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.1 | 15.6 | -169.9 | -29.6 | -87.8 | 0 | 0 | 0 | 111.8 | S255 | S255-D257 PolarHBondContact O-N 3.47Š|
| 258 | R | 83.2 | Confident | 90.1 | Very high | 147 Ų | 147 | 58.1 Ų | 58.1 | 56% | 0.555 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -129.3 | 164.5 | 176.2 | -69 | -167 | -71.4 | 158.1 | 0.1 | 109.9 | Y226 S255 | Y226-R258 WeakPolarHBondContact CE1-O 3.34Å; Y226-R258 PolarHBondContact OH-O 2.7Å; S255-R258 PolarHBondContact O-N 3.31Å; S255-R258 PolarHBondContact OG-NE 2.85Å; S255-R258 PolarHBondContact OG-NH2 3.26Å |
| 259 | D | 85.8 | Confident | 90.2 | Very high | 88 Ų | 88 | 59.7 Ų | 59.7 | 47% | 0.471 | 31% | 0.309 | S | S | . | . | trans | -49.8 | 141.6 | 174.4 | -99.5 | -73.2 | 0 | 0 | 0 | 112.3 | R223 P254 V261 | R223-D259 IonicContact CZ-OD1 3.31Å; R223-D259 IonicContact NE-OD1 3.15Å; R223-D259 IonicContact NH2-OD1 3.66Å; R223-D259 PolarHBondContact NH2-OD1 3.49Å; P254-D259 WeakPolarHBondContact CB-O 3.13Å; D259-V261 HydrophobicContact CB-CG2 4.29Å; D259-V261 PolarHBondContact O-N 3.43Å | ||
| 260 | P | 91.5 | Very high | 90.2 | Very high | 7 Ų | 7 | 60.6 Ų | 60.6 | 5% | 0.045 | 31% | 0.313 | C | S | . | . | trans | -84.1 | 57.9 | -171.9 | 37 | -37 | 0 | 0 | 0 | 111 | V224 Y226 V229 | V224-P260 PolarHBondContact N-O 3.5Å; V224-P260 WeakPolarHBondContact O-CB 3.34Å; V224-P260 WeakPolarHBondContact O-CG 3.42Å; Y226-P260 HydrophobicContact CD1-CB 3.96Å; Y226-P260 HydrophobicContact CD1-CG 4.27Å; Y226-P260 HydrophobicContact CD2-CG 3.99Å; Y226-P260 HydrophobicContact CE1-CB 4.08Å; Y226-P260 HydrophobicContact CE1-CG 4.21Å; Y226-P260 HydrophobicContact CE2-CG 3.92Å; Y226-P260 HydrophobicContact CG-CB 4.2Å; Y226-P260 HydrophobicContact CG-CG 4.17Å; V229-P260 HydrophobicContact CG2-CB 3.73Å | ||
| 261 | V | 91.8 | Very high | 90.2 | Very high | 39 Ų | 39 | 56.2 Ų | 56.2 | 24% | 0.236 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 121.9 | 179.4 | 178.8 | 0 | 0 | 0 | 0 | 109.2 | Q221 V222 R223 P254 D259 | Q221-V261 HydrophobicContact CB-CG1 3.74Å; Q221-V261 HydrophobicContact CG-CG1 4.12Å; V222-V261 WeakPolarHBondContact O-CA 3.48Å; R223-V261 HydrophobicContact CB-CG2 4.08Å; R223-V261 HydrophobicContact CG-CG2 3.95Å; P254-V261 WeakPolarHBondContact CB-O 3.34Å; P254-V261 WeakPolarHBondContact CD-O 3.41Å; P254-V261 WeakPolarHBondContact CG-O 3.38Å; D259-V261 HydrophobicContact CB-CG2 4.29Å; D259-V261 PolarHBondContact O-N 3.43Å |
| 262 | F | 93.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 129.3 | 166.4 | -71.4 | -86.2 | 0 | 0 | 0 | 109.4 | Q221 V222 V224 V229 V232 V233 I240 I251 T253 | Q221-F262 WeakPolarHBondContact CA-O 3.34Å; V222-F262 HydrophobicContact CB-CB 4.49Å; V222-F262 PolarHBondContact N-O 3.28Å; V222-F262 PolarHBondContact O-N 2.93Å; V224-F262 HydrophobicContact CG1-CD2 4.28Å; V224-F262 HydrophobicContact CG2-CD2 4.14Å; V224-F262 HydrophobicContact CG2-CE2 3.75Å; V229-F262 HydrophobicContact CG1-CE2 4.32Å; V229-F262 HydrophobicContact CG1-CZ 3.95Å; V232-F262 HydrophobicContact CB-CE2 4.18Å; V232-F262 HydrophobicContact CB-CZ 3.98Å; V232-F262 HydrophobicContact CG1-CE1 4.18Å; V232-F262 HydrophobicContact CG1-CE2 3.84Å; V232-F262 HydrophobicContact CG1-CZ 3.6Å; V233-F262 HydrophobicContact CG2-CE1 4.15Å; V233-F262 HydrophobicContact CG2-CZ 4.1Å; I240-F262 HydrophobicContact CD1-CE1 4.39Å; I240-F262 HydrophobicContact CG1-CE1 4.46Å; I251-F262 HydrophobicContact CG2-CB 4.04Å; I251-F262 HydrophobicContact CG2-CD1 3.84Å; I251-F262 HydrophobicContact CG2-CG 4.37Å; T253-F262 HydrophobicContact CG2-CE1 4.05Å |
| 263 | E | 94.3 | Very high | 90.4 | Very high | 79 Ų | 79 | 63.3 Ų | 63.3 | 37% | 0.369 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 120.3 | 173.4 | -168.2 | -172.5 | 152.2 | 0 | 0 | 109 | I251 V252 | I251-E263 CarbonylContact C-O 3.59Å; I251-E263 WeakPolarHBondContact CA-O 3.17Å; V252-E263 HydrophobicContact CB-CB 4.07Å; V252-E263 HydrophobicContact CG2-CB 4.27Å; V252-E263 PolarHBondContact N-O 2.93Å; V252-E263 PolarHBondContact O-N 3.07Å |
| 264 | I | 94.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 109.9 | -172.9 | -54.7 | -176 | 0 | 0 | 0 | 109 | T219 I220 V222 T249 Y250 I251 A271 A274 R275 I278 | T219-I264 CarbonylContact C-O 3.6Å; T219-I264 VanDerWaalsContact CA-O 3.31Å; T219-I264 WeakPolarHBondContact CA-O 3.22Å; I220-I264 HydrophobicContact CB-CB 4.44Å; I220-I264 PolarHBondContact N-O 3.4Å; I220-I264 WeakPolarHBondContact O-CB 3.45Å; I220-I264 PolarHBondContact O-N 2.79Å; V222-I264 HydrophobicContact CG2-CD1 3.53Å; V222-I264 HydrophobicContact CG2-CG1 4.31Å; T249-I264 HydrophobicContact CG2-CG2 4.04Å; Y250-I264 CarbonylContact O-C 3.57Å; Y250-I264 WeakPolarHBondContact O-CA 3.48Å; I251-I264 HydrophobicContact CD1-CD1 4.41Å; I251-I264 HydrophobicContact CD1-CG1 4.28Å; I251-I264 HydrophobicContact CD1-CG2 4.47Å; I251-I264 HydrophobicContact CG1-CB 4.36Å; I251-I264 HydrophobicContact CG1-CG1 4.04Å; I251-I264 HydrophobicContact CG1-CG2 4.1Å; I251-I264 HydrophobicContact CG2-CG1 4.08Å; I264-A271 HydrophobicContact CG2-CB 4.16Å; I264-A274 HydrophobicContact CD1-CB 4.18Å; I264-A274 HydrophobicContact CG2-CB 3.85Å; I264-R275 HydrophobicContact CD1-CB 4.12Å; I264-I278 HydrophobicContact CD1-CD1 3.99Å |
| 265 | T | 92.8 | Very high | 90.9 | Very high | 13 Ų | 13 | 63.9 Ų | 63.9 | 8% | 0.08 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 129.8 | 175.3 | -36.5 | 0 | 0 | 0 | 0 | 110.5 | Q217 T218 T219 T249 Y250 | Q217-T265 HydrophobicContact CB-CG2 4.33Å; T218-T265 WeakPolarHBondContact O-CA 3.25Å; T219-T265 HydrophobicContact CG2-CG2 3.94Å; T249-T265 WeakPolarHBondContact CA-O 3.48Å; T249-T265 WeakPolarHBondContact CB-O 3.22Å; Y250-T265 PolarHBondContact N-O 3.34Å; Y250-T265 PolarHBondContact O-N 2.94Å |
| 266 | G | 91.9 | Very high | 91.4 | Very high | 3 Ų | 3 | 67.7 Ų | 67.7 | 3% | 0.031 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 177.3 | -172.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q217 T218 | Q217-G266 CarbonylContact C-O 3.14Å; Q217-G266 VanDerWaalsContact CA-O 3.29Å; Q217-G266 WeakPolarHBondContact CA-O 3.34Å; T218-G266 PolarHBondContact N-O 3.26Å; T218-G266 PolarHBondContact O-N 3.49Å; T218-G266 VanDerWaalsContact O-N 3.1Å |
| 267 | S | 90.5 | Very high | 92 | Very high | 47 Ų | 47 | 59 Ų | 59 | 33% | 0.329 | 30% | 0.296 | S | S | . | . | trans | -68.3 | 152.1 | 166.2 | 63.4 | 0 | 0 | 0 | 0 | 109.9 | S269 N270 A271 | S267-S269 PolarHBondContact O-N 3.07Å; S267-N270 PolarHBondContact O-N 3.11Å; S267-N270 WeakPolarHBondContact OG-CB 3.47Å; S267-N270 VanDerWaalsContact OG-CG 3.32Å; S267-N270 PolarHBondContact OG-ND2 3.41Å; S267-A271 WeakPolarHBondContact O-CB 3.48Å; S267-A271 PolarHBondContact O-N 2.93Å | ||
| 268 | P | 90.6 | Very high | 92.6 | Very high | 85 Ų | 85 | 51.9 Ų | 51.9 | 55% | 0.552 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -57 | -45.1 | -171.2 | 18.2 | -31.3 | 0 | 0 | 0 | 114.1 | T218 N270 A271 E272 | T218-P268 HydrophobicContact CG2-CB 4.18Å; P268-N270 VanDerWaalsContact C-N 3.31Å; P268-N270 PolarHBondContact O-N 2.96Å; P268-A271 PolarHBondContact O-N 3.4Å; P268-E272 PolarHBondContact O-N 3.41Å |
| 269 | S | 91.3 | Very high | 93 | Very high | 84 Ų | 84 | 48.9 Ų | 48.9 | 59% | 0.587 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -62.5 | -35.6 | 176.1 | -179.5 | 0 | 0 | 0 | 0 | 113.2 | S267 R273 | S267-S269 PolarHBondContact O-N 3.07Å; S269-R273 WeakPolarHBondContact O-CB 3.19Å; S269-R273 WeakPolarHBondContact O-CD 3.3Å; S269-R273 VanDerWaalsContact O-CG 3.25Å; S269-R273 WeakPolarHBondContact O-CG 3.44Å; S269-R273 PolarHBondContact O-N 3.36Å |
| 270 | N | 94 | Very high | 93.3 | Very high | 32 Ų | 32 | 47.3 Ų | 47.3 | 17% | 0.171 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -76.5 | -37.1 | 178.5 | -76.1 | -0.6 | 0 | 0 | 0 | 112.3 | T247 T249 S267 P268 A274 | T247-N270 WeakPolarHBondContact O-CB 3.43Å; T247-N270 PolarHBondContact O-ND2 3.15Å; T247-N270 VanDerWaalsContact O-ND2 3.09Å; T249-N270 VanDerWaalsContact CG2-C 3.5Å; T249-N270 HydrophobicContact CG2-CB 3.85Å; T249-N270 VanDerWaalsContact CG2-O 3.3Å; T249-N270 WeakPolarHBondContact CG2-O 3.5Å; S267-N270 PolarHBondContact O-N 3.11Å; S267-N270 WeakPolarHBondContact OG-CB 3.47Å; S267-N270 VanDerWaalsContact OG-CG 3.32Å; S267-N270 PolarHBondContact OG-ND2 3.41Å; P268-N270 VanDerWaalsContact C-N 3.31Å; P268-N270 PolarHBondContact O-N 2.96Å; N270-A274 WeakPolarHBondContact O-CB 3.19Å; N270-A274 PolarHBondContact O-N 3.38Å |
| 271 | A | 93.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.8 | -44.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | T218 I220 I264 S267 P268 A274 R275 | T218-A271 HydrophobicContact CG2-CB 3.8Å; I220-A271 HydrophobicContact CD1-CB 3.56Å; I220-A271 HydrophobicContact CG1-CB 3.93Å; I264-A271 HydrophobicContact CG2-CB 4.16Å; S267-A271 WeakPolarHBondContact O-CB 3.48Å; S267-A271 PolarHBondContact O-N 2.93Å; P268-A271 PolarHBondContact O-N 3.4Å; A271-A274 PolarHBondContact O-N 3.22Å; A271-R275 PolarHBondContact O-N 3.35Å |
| 272 | E | 94.3 | Very high | 93.1 | Very high | 88 Ų | 88 | 47.8 Ų | 47.8 | 41% | 0.411 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.6 | -43.3 | 176.7 | -158.2 | 64.6 | -129.9 | 0 | 0 | 111.3 | I220 P268 A274 R275 E276 | I220-E272 WeakPolarHBondContact CD1-OE2 3.44Å; P268-E272 PolarHBondContact O-N 3.41Å; E272-A274 VanDerWaalsContact C-N 3.28Å; E272-A274 PolarHBondContact O-N 2.95Å; E272-R275 WeakPolarHBondContact O-CB 3.36Å; E272-R275 PolarHBondContact O-N 3.05Å; E272-R275 VanDerWaalsContact O-N 3.15Å; E272-R275 WeakPolarHBondContact OE1-CD 3.18Å; E272-R275 IonicContact OE1-CZ 2.78Å; E272-R275 IonicContact OE1-NE 3.93Å; E272-R275 IonicContact OE1-NH1 2.71Å; E272-R275 PolarHBondContact OE1-NH1 3.33Å; E272-E276 PolarHBondContact O-N 3.11Å |
| 273 | R | 95.3 | Very high | 92.8 | Very high | 114 Ų | 114 | 50.7 Ų | 50.7 | 43% | 0.43 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.3 | -34.6 | 173.6 | -74.9 | 174.8 | 61 | -124.3 | -10.7 | 113.2 | S269 E277 | S269-R273 WeakPolarHBondContact O-CB 3.19Å; S269-R273 WeakPolarHBondContact O-CD 3.3Å; S269-R273 VanDerWaalsContact O-CG 3.25Å; S269-R273 WeakPolarHBondContact O-CG 3.44Å; S269-R273 PolarHBondContact O-N 3.36Å; R273-E277 WeakPolarHBondContact O-CB 3.41Å; R273-E277 PolarHBondContact O-N 2.87Å |
| 274 | A | 95.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -72.4 | -34.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | I243 T247 T249 I251 I264 N270 A271 E272 I278 | I243-A274 HydrophobicContact CG2-CB 4.43Å; T247-A274 VanDerWaalsContact CG2-CA 3.42Å; T247-A274 HydrophobicContact CG2-CB 3.53Å; T249-A274 HydrophobicContact CG2-CB 3.88Å; T249-A274 WeakPolarHBondContact OG1-CB 3.4Å; I251-A274 HydrophobicContact CD1-CB 4.16Å; I264-A274 HydrophobicContact CD1-CB 4.18Å; I264-A274 HydrophobicContact CG2-CB 3.85Å; N270-A274 WeakPolarHBondContact O-CB 3.19Å; N270-A274 PolarHBondContact O-N 3.38Å; A271-A274 PolarHBondContact O-N 3.22Å; E272-A274 VanDerWaalsContact C-N 3.28Å; E272-A274 PolarHBondContact O-N 2.95Å; A274-I278 WeakPolarHBondContact O-CG1 3.41Å; A274-I278 PolarHBondContact O-N 2.9Å; A274-I278 VanDerWaalsContact O-N 3.15Å |
| 275 | R | 95.3 | Very high | 91.5 | Very high | 86 Ų | 86 | 62.9 Ų | 62.9 | 33% | 0.325 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.3 | -50.9 | 170.3 | 166.1 | 174 | 174.8 | -127.1 | -10.7 | 110.8 | I220 V222 I264 A271 E272 E277 I278 E279 | I220-R275 HydrophobicContact CG2-CB 4.44Å; V222-R275 HydrophobicContact CG1-CG 4.46Å; V222-R275 HydrophobicContact CG2-CB 3.7Å; V222-R275 HydrophobicContact CG2-CG 3.6Å; I264-R275 HydrophobicContact CD1-CB 4.12Å; A271-R275 PolarHBondContact O-N 3.35Å; E272-R275 WeakPolarHBondContact O-CB 3.36Å; E272-R275 PolarHBondContact O-N 3.05Å; E272-R275 VanDerWaalsContact O-N 3.15Å; E272-R275 WeakPolarHBondContact OE1-CD 3.18Å; E272-R275 IonicContact OE1-CZ 2.78Å; E272-R275 IonicContact OE1-NE 3.93Å; E272-R275 IonicContact OE1-NH1 2.71Å; E272-R275 PolarHBondContact OE1-NH1 3.33Å; R275-E277 VanDerWaalsContact C-N 3.34Å; R275-E277 PolarHBondContact O-N 3.29Å; R275-I278 PolarHBondContact O-N 3.05Å; R275-I278 VanDerWaalsContact O-N 3.11Å; R275-E279 HydrophobicContact CG-CG 4.45Å; R275-E279 WeakPolarHBondContact CG-OE1 3.38Å; R275-E279 IonicContact CZ-OE1 2.76Å; R275-E279 IonicContact NE-OE1 3.7Å; R275-E279 PolarHBondContact NE-OE1 3.22Å; R275-E279 IonicContact NH2-OE1 3.21Å; R275-E279 PolarHBondContact NH2-OE1 2.91Å; R275-E279 VanDerWaalsContact NH2-OE1 3.15Å; R275-E279 IonicContact NH2-OE2 3.65Å; R275-E279 WeakPolarHBondContact O-CG 3.49Å; R275-E279 PolarHBondContact O-N 3.09Å |
| 276 | E | 94.5 | Very high | 90.8 | Very high | 130 Ų | 130 | 65.3 Ų | 65.3 | 61% | 0.607 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -56.9 | -45.1 | 176.6 | -173.9 | -175.2 | -165 | 0 | 0 | 111.4 | E272 I278 E279 A280 | E272-E276 PolarHBondContact O-N 3.11Å; E276-I278 VanDerWaalsContact C-N 3.32Å; E276-I278 PolarHBondContact O-N 2.79Å; E276-E279 PolarHBondContact O-N 3Å; E276-A280 WeakPolarHBondContact O-CB 3.47Å; E276-A280 PolarHBondContact O-N 3.24Å |
| 277 | E | 94.3 | Very high | 89.5 | Confident | 48 Ų | 48 | 68.2 Ų | 68.2 | 22% | 0.224 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.5 | -37.2 | 177.1 | -167.8 | 177.8 | 167.9 | 0 | 0 | 112 | I243 R273 R275 H281 | I243-E277 HydrophobicContact CD1-CG 4.49Å; I243-E277 HydrophobicContact CG1-CG 4.09Å; I243-E277 HydrophobicContact CG2-CB 4.23Å; I243-E277 HydrophobicContact CG2-CG 4.34Å; R273-E277 WeakPolarHBondContact O-CB 3.41Å; R273-E277 PolarHBondContact O-N 2.87Å; R275-E277 VanDerWaalsContact C-N 3.34Å; R275-E277 PolarHBondContact O-N 3.29Å; E277-H281 WeakPolarHBondContact O-CB 3.32Å; E277-H281 PolarHBondContact O-N 3.4Å |
| 278 | I | 94.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -67.4 | -49 | 174.7 | -73.1 | 170.2 | 0 | 0 | 0 | 111.5 | V222 V224 V232 I240 I243 I251 I264 A274 R275 E276 H281 I282 | V222-I278 HydrophobicContact CG1-CG2 4.13Å; V224-I278 HydrophobicContact CG1-CG2 4.22Å; V232-I278 HydrophobicContact CG1-CD1 4.41Å; V232-I278 HydrophobicContact CG1-CG1 4.05Å; V232-I278 HydrophobicContact CG1-CG2 4.01Å; V232-I278 HydrophobicContact CG2-CG2 4.23Å; I240-I278 HydrophobicContact CD1-CD1 3.98Å; I240-I278 HydrophobicContact CD1-CG1 4.43Å; I243-I278 HydrophobicContact CD1-CG1 3.75Å; I243-I278 HydrophobicContact CG2-CG1 4.34Å; I251-I278 HydrophobicContact CD1-CD1 4.02Å; I264-I278 HydrophobicContact CD1-CD1 3.99Å; A274-I278 WeakPolarHBondContact O-CG1 3.41Å; A274-I278 PolarHBondContact O-N 2.9Å; A274-I278 VanDerWaalsContact O-N 3.15Å; R275-I278 PolarHBondContact O-N 3.05Å; R275-I278 VanDerWaalsContact O-N 3.11Å; E276-I278 VanDerWaalsContact C-N 3.32Å; E276-I278 PolarHBondContact O-N 2.79Å; I278-H281 PolarHBondContact O-N 2.91Å; I278-I282 HydrophobicContact CG2-CD1 4.03Å; I278-I282 WeakPolarHBondContact O-CG1 3.47Å; I278-I282 PolarHBondContact O-N 3.06Å |
| 279 | E | 92.6 | Very high | 85.8 | Confident | 83 Ų | 83 | 72.3 Ų | 72.3 | 39% | 0.388 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.5 | -44.4 | -179.7 | -70.2 | 179.3 | -167.5 | 0 | 0 | 110.9 | V222 R275 E276 H281 I282 A283 | V222-E279 HydrophobicContact CG1-CG 4.29Å; R275-E279 HydrophobicContact CG-CG 4.45Å; R275-E279 WeakPolarHBondContact CG-OE1 3.38Å; R275-E279 IonicContact CZ-OE1 2.76Å; R275-E279 IonicContact NE-OE1 3.7Å; R275-E279 PolarHBondContact NE-OE1 3.22Å; R275-E279 IonicContact NH2-OE1 3.21Å; R275-E279 PolarHBondContact NH2-OE1 2.91Å; R275-E279 VanDerWaalsContact NH2-OE1 3.15Å; R275-E279 IonicContact NH2-OE2 3.65Å; R275-E279 WeakPolarHBondContact O-CG 3.49Å; R275-E279 PolarHBondContact O-N 3.09Å; E276-E279 PolarHBondContact O-N 3Å; E279-H281 PolarHBondContact O-N 3.22Å; E279-I282 PolarHBondContact O-N 3.32Å; E279-A283 PolarHBondContact O-N 2.83Å |
| 280 | A | 91.1 | Very high | 83.6 | Confident | 55 Ų | 55 | 75.4 Ų | 75.4 | 46% | 0.455 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.4 | -38.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | E276 I282 A283 F284 | E276-A280 WeakPolarHBondContact O-CB 3.47Å; E276-A280 PolarHBondContact O-N 3.24Å; A280-I282 VanDerWaalsContact C-N 3.27Å; A280-I282 PolarHBondContact O-N 3.42Å; A280-A283 PolarHBondContact O-N 3.08Å; A280-F284 VanDerWaalsContact O-CB 3.3Å; A280-F284 WeakPolarHBondContact O-CB 3.17Å; A280-F284 PolarHBondContact O-N 3.35Å |
| 281 | H | 90.3 | Very high | 81.3 | Confident | 27 Ų | 27 | 79 Ų | 79 | 13% | 0.125 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -64.3 | -33.2 | 176.4 | -157.6 | 99.5 | 0 | 0 | 0 | 112.4 | T239 E277 I278 E279 R285 | T239-H281 WeakPolarHBondContact CG2-CE1 3.41Å; T239-H281 WeakPolarHBondContact CG2-NE2 3.33Å; E277-H281 WeakPolarHBondContact O-CB 3.32Å; E277-H281 PolarHBondContact O-N 3.4Å; I278-H281 PolarHBondContact O-N 2.91Å; E279-H281 PolarHBondContact O-N 3.22Å; H281-R285 PolarHBondContact CD2-NE 3.46Å; H281-R285 PolarHBondContact NE2-NE 3.44Å; H281-R285 WeakPolarHBondContact O-CB 3.29Å; H281-R285 WeakPolarHBondContact O-CG 3.3Å; H281-R285 PolarHBondContact O-N 3.48Å |
| 282 | I | 90.6 | Very high | 79.2 | Confident | 29 Ų | 29 | 87.9 Ų | 87.9 | 15% | 0.149 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -71.1 | -52.4 | 173 | -66.9 | 161.8 | 0 | 0 | 0 | 109.8 | V224 V228 V232 I278 E279 A280 F284 R285 T286 | V224-I282 HydrophobicContact CB-CD1 3.76Å; V224-I282 HydrophobicContact CG1-CD1 3.49Å; V224-I282 VanDerWaalsContact CG1-CD1 3.49Å; V224-I282 HydrophobicContact CG2-CD1 4.5Å; V228-I282 HydrophobicContact CB-CG1 4.27Å; V228-I282 HydrophobicContact CB-CG2 4.36Å; V228-I282 HydrophobicContact CG1-CG2 4.27Å; V228-I282 HydrophobicContact CG2-CD1 3.87Å; V228-I282 HydrophobicContact CG2-CG1 3.88Å; V228-I282 HydrophobicContact CG2-CG2 4.02Å; V232-I282 HydrophobicContact CG2-CD1 3.84Å; V232-I282 HydrophobicContact CG2-CG1 3.59Å; I278-I282 HydrophobicContact CG2-CD1 4.03Å; I278-I282 WeakPolarHBondContact O-CG1 3.47Å; I278-I282 PolarHBondContact O-N 3.06Å; E279-I282 PolarHBondContact O-N 3.32Å; A280-I282 VanDerWaalsContact C-N 3.27Å; A280-I282 PolarHBondContact O-N 3.42Å; I282-F284 PolarHBondContact O-N 3.44Å; I282-R285 PolarHBondContact O-N 3.36Å; I282-T286 WeakPolarHBondContact O-CB 3.43Å; I282-T286 PolarHBondContact O-N 2.83Å; I282-T286 PolarHBondContact O-OG1 3.27Å |
| 283 | A | 86.9 | Confident | 76.6 | Confident | 62 Ų | 62 | 90.2 Ų | 90.2 | 51% | 0.512 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -56.8 | -50.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E279 A280 R285 T286 G287 | E279-A283 PolarHBondContact O-N 2.83Å; A280-A283 PolarHBondContact O-N 3.08Å; A283-R285 VanDerWaalsContact C-N 3.31Å; A283-R285 PolarHBondContact O-N 3.14Å; A283-T286 PolarHBondContact O-N 2.8Å; A283-G287 PolarHBondContact O-N 3.38Å |
| 284 | F | 82.4 | Confident | 74.2 | Confident | 184 Ų | 184 | 92.2 Ų | 92.2 | 81% | 0.807 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.9 | -33.5 | -179.1 | -176.7 | -93.3 | 0 | 0 | 0 | 113.4 | A280 I282 | A280-F284 VanDerWaalsContact O-CB 3.3Å; A280-F284 WeakPolarHBondContact O-CB 3.17Å; A280-F284 PolarHBondContact O-N 3.35Å; I282-F284 PolarHBondContact O-N 3.44Å |
| 285 | R | 78.7 | Confident | 72 | Confident | 150 Ų | 150 | 100.4 Ų | 100.4 | 57% | 0.566 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -94.1 | -23.3 | -177.9 | -67.5 | -174 | -179.5 | -98.5 | -6 | 114.6 | H281 I282 A283 | H281-R285 PolarHBondContact CD2-NE 3.46Å; H281-R285 PolarHBondContact NE2-NE 3.44Å; H281-R285 WeakPolarHBondContact O-CB 3.29Å; H281-R285 WeakPolarHBondContact O-CG 3.3Å; H281-R285 PolarHBondContact O-N 3.48Å; I282-R285 PolarHBondContact O-N 3.36Å; A283-R285 VanDerWaalsContact C-N 3.31Å; A283-R285 PolarHBondContact O-N 3.14Å |
| 286 | T | 79.5 | Confident | 69.8 | Low | 64 Ų | 64 | 103 Ų | 103 | 39% | 0.393 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -92.3 | -20.6 | -178.3 | -45.4 | 0 | 0 | 0 | 0 | 111.6 | I282 A283 | I282-T286 WeakPolarHBondContact O-CB 3.43Å; I282-T286 PolarHBondContact O-N 2.83Å; I282-T286 PolarHBondContact O-OG1 3.27Å; A283-T286 PolarHBondContact O-N 2.8Å |
| 287 | G | 62.8 | Low | 67.5 | Low | 64 Ų | 64 | 104.5 Ų | 104.5 | 66% | 0.66 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 72.3 | 41.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | A283 L289 | A283-G287 PolarHBondContact O-N 3.38Å; G287-L289 PolarHBondContact O-N 3.33Å |
| 288 | G | 56 | Low | 64.7 | Low | 74 Ų | 74 | 108.3 Ų | 108.3 | 76% | 0.763 | 60% | 0.598 | S | S | * | * | S | Bend | trans | 72.4 | 18.9 | 166.5 | 0 | 0 | 0 | 0 | 0 | 117 | H290 | G288-H290 PolarHBondContact O-N 3.25Š|
| 289 | L | 47.6 | Very low | 62.4 | Low | 145 Ų | 145 | 117.2 Ų | 117.2 | 76% | 0.759 | 64% | 0.644 | S | S | * | * | trans | -97.2 | 81.8 | 179.8 | -162.8 | 69.3 | 0 | 0 | 0 | 113.5 | G287 | G287-L289 PolarHBondContact O-N 3.33Š| ||
| 290 | H | 46.4 | Very low | 59.5 | Low | 148 Ų | 148 | 116.7 Ų | 116.7 | 69% | 0.685 | 66% | 0.662 | S | S | * | * | trans | -119.4 | 137.7 | 144.4 | -105.5 | 32.6 | 0 | 0 | 0 | 105.4 | G288 | G288-H290 PolarHBondContact O-N 3.25Š| ||
| 291 | D | 44 | Very low | 57.5 | Low | 107 Ų | 107 | 119.9 Ų | 119.9 | 57% | 0.572 | 68% | 0.677 | S | S | * | * | cis | -139 | 171.6 | 12.4 | -110.1 | -61.5 | 0 | 0 | 0 | 112.5 | ||||
| 292 | H | 50.8 | Low | 55.1 | Low | 188 Ų | 188 | 126.8 Ų | 126.8 | 87% | 0.87 | 72% | 0.715 | S | S | * | * | trans | 160.6 | 84.1 | 137.4 | -82 | -48.8 | 0 | 0 | 0 | 110.9 | ||||
| 293 | N | 39.9 | Very low | 52.4 | Low | 136 Ų | 136 | 129.3 Ų | 129.3 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | trans | -157.1 | 66.2 | 152 | -165 | 106.3 | 0 | 0 | 0 | 110.1 | ||||
| 294 | N | 44.2 | Very low | 49.9 | Very low | 156 Ų | 156 | 129.6 Ų | 129.6 | 83% | 0.834 | 76% | 0.757 | S | S | * | * | trans | -131.3 | 51.6 | 167 | -165.8 | 80.6 | 0 | 0 | 0 | 110.3 | N296 | N294-N296 PolarHBondContact O-N 2.9Š| ||
| 295 | E | 49.5 | Very low | 47.6 | Very low | 172 Ų | 172 | 126.8 Ų | 126.8 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | trans | -92.2 | 75.8 | 167.5 | 54.7 | -173.5 | 101.2 | 0 | 0 | 109.6 | ||||
| 296 | N | 49 | Very low | 45.6 | Very low | 142 Ų | 142 | 125.1 Ų | 125.1 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | trans | -139.7 | 48.1 | 170.9 | -159.8 | 102.3 | 0 | 0 | 0 | 111.2 | N294 | N294-N296 PolarHBondContact O-N 2.9Š| ||
| 297 | D | 46.9 | Very low | 44.4 | Very low | 160 Ų | 160 | 127.7 Ų | 127.7 | 86% | 0.856 | 79% | 0.79 | S | S | * | * | trans | -156.2 | 166.8 | 161.7 | -106.8 | -43.6 | 0 | 0 | 0 | 109.6 | ||||
| 298 | C | 35.1 | Very low | 42.9 | Very low | 128 Ų | 128 | 129.7 Ų | 129.7 | 87% | 0.865 | 80% | 0.8 | S | S | * | * | trans | 72.9 | 98.5 | -179.7 | -58.4 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 299 | L | 46.4 | Very low | 41.6 | Very low | 187 Ų | 187 | 129.9 Ų | 129.9 | 98% | 0.979 | 80% | 0.802 | S | S | * | * | trans | -74.8 | 144.3 | 165.5 | -61.9 | 164.2 | 0 | 0 | 0 | 111.6 | ||||
| 300 | G | 32.5 | Very low | 40.9 | Very low | 73 Ų | 73 | 128.4 Ų | 128.4 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | trans | 134 | 111 | 153 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 301 | P | 48.7 | Very low | 40.3 | Very low | 121 Ų | 121 | 128.1 Ų | 128.1 | 79% | 0.786 | 81% | 0.812 | S | S | * | * | trans | -103.2 | 108.9 | 166.5 | 33.9 | -25.3 | 0 | 0 | 0 | 111.8 | ||||
| 302 | N | 39 | Very low | 39.7 | Very low | 173 Ų | 173 | 126.6 Ų | 126.6 | 93% | 0.925 | 82% | 0.822 | S | S | * | * | trans | -176.3 | 128.8 | 153.2 | -108 | -58.1 | 0 | 0 | 0 | 113.5 | ||||
| 303 | G | 33.3 | Very low | 38.7 | Very low | 82 Ų | 82 | 121.3 Ų | 121.3 | 85% | 0.845 | 82% | 0.818 | S | S | * | * | trans | 70.4 | 152.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 304 | G | 34 | Very low | 38.4 | Very low | 67 Ų | 67 | 123 Ų | 123 | 69% | 0.691 | 83% | 0.827 | S | S | * | * | cis | 166 | 144.1 | -8.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 305 | S | 34.9 | Very low | 37.9 | Very low | 126 Ų | 126 | 124.5 Ų | 124.5 | 88% | 0.881 | 83% | 0.828 | S | S | * | * | trans | 54.7 | 115.9 | 166.7 | 45.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 306 | S | 36.4 | Very low | 37.3 | Very low | 114 Ų | 114 | 122.1 Ų | 122.1 | 80% | 0.797 | 83% | 0.831 | S | S | * | * | trans | -68 | 175.4 | 146.9 | -42.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 307 | P | 54.1 | Low | 36.9 | Very low | 119 Ų | 119 | 126.8 Ų | 126.8 | 77% | 0.773 | 84% | 0.838 | S | S | * | * | cis | -147.5 | -174.8 | 18.2 | 44.7 | -24.6 | 0 | 0 | 0 | 118.5 | ||||
| 308 | A | 32.4 | Very low | 36.3 | Very low | 105 Ų | 105 | 127.5 Ų | 127.5 | 87% | 0.868 | 84% | 0.841 | S | S | * | * | trans | 72.8 | 127.7 | 149.6 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 309 | G | 28.2 | Very low | 36.3 | Very low | 79 Ų | 79 | 129.7 Ų | 129.7 | 81% | 0.814 | 84% | 0.838 | S | S | * | * | trans | 166.3 | 114.8 | 168.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 310 | S | 33.3 | Very low | 35.8 | Very low | 113 Ų | 113 | 129.8 Ų | 129.8 | 79% | 0.79 | 83% | 0.834 | S | S | * | * | trans | -58.6 | 158.2 | 170.2 | -48.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 311 | T | 34.3 | Very low | 35.9 | Very low | 142 Ų | 142 | 131.7 Ų | 131.7 | 87% | 0.871 | 83% | 0.83 | S | S | * | * | cis | -169.4 | 168.1 | -4.9 | 16.4 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 312 | G | 30.5 | Very low | 35.1 | Very low | 76 Ų | 76 | 137.3 Ų | 137.3 | 78% | 0.784 | 84% | 0.836 | S | S | * | * | cis | 146.5 | 134.1 | 0 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 313 | G | 29.6 | Very low | 34.7 | Very low | 76 Ų | 76 | 132 Ų | 132 | 78% | 0.784 | 82% | 0.823 | S | S | * | * | trans | 112 | 148.5 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 314 | L | 33.1 | Very low | 34.9 | Very low | 172 Ų | 172 | 135.4 Ų | 135.4 | 90% | 0.901 | 82% | 0.821 | S | S | * | * | cis | -149.1 | 91.9 | 8.3 | 54.2 | 128.2 | 0 | 0 | 0 | 113 | ||||
| 315 | E | 34.6 | Very low | 34.8 | Very low | 187 Ų | 187 | 140.9 Ų | 140.9 | 87% | 0.874 | 83% | 0.828 | S | S | * | * | trans | -123.1 | 88.3 | 174.7 | -112.5 | -104 | 80.3 | 0 | 0 | 109.8 | ||||
| 316 | S | 36.4 | Very low | 34.8 | Very low | 122 Ų | 122 | 138.6 Ų | 138.6 | 85% | 0.853 | 83% | 0.825 | S | S | * | * | trans | -170.9 | 64.8 | 171.9 | -85.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 317 | R | 40.3 | Very low | 34.3 | Very low | 241 Ų | 241 | 136.5 Ų | 136.5 | 91% | 0.909 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -157.1 | 55.7 | 157.8 | -138.6 | 174.3 | -174.5 | -106.5 | -4.6 | 118.4 | ||
| 318 | L | 34.4 | Very low | 33.3 | Very low | 175 Ų | 175 | 140.3 Ų | 140.3 | 92% | 0.916 | 83% | 0.828 | S | S | * | * | S | Bend | trans | -156.9 | 41.4 | 153.8 | -114.8 | 163.6 | 0 | 0 | 0 | 115.5 | ||
| 319 | Q | 36.3 | Very low | 33.2 | Very low | 173 Ų | 173 | 146.1 Ų | 146.1 | 81% | 0.808 | 83% | 0.828 | S | S | * | * | trans | -136.3 | 67.3 | 171.5 | -164.3 | 73.3 | 80.2 | 0 | 0 | 112.7 | ||||
| 320 | Q | 36.2 | Very low | 33.5 | Very low | 189 Ų | 189 | 152.1 Ų | 152.1 | 88% | 0.883 | 83% | 0.831 | S | S | * | * | trans | -139.7 | 153.8 | 158.3 | -78.1 | -161 | -21.9 | 0 | 0 | 109.6 | ||||
| 321 | V | 33.8 | Very low | 34.5 | Very low | 113 Ų | 113 | 151.9 Ų | 151.9 | 69% | 0.685 | 83% | 0.827 | S | S | * | * | S | Bend | trans | 66.8 | 97.1 | -162.1 | -176.3 | 0 | 0 | 0 | 0 | 112.2 | ||
| 322 | W | 32.6 | Very low | 34.3 | Very low | 240 Ų | 240 | 152.8 Ų | 152.8 | 91% | 0.909 | 83% | 0.826 | S | S | * | * | cis | -144.3 | 164.6 | -15.4 | -69 | -56.1 | 0 | 0 | 0 | 105.9 | ||||
| 323 | G | 30.2 | Very low | 34.1 | Very low | 62 Ų | 62 | 155.2 Ų | 155.2 | 64% | 0.639 | 83% | 0.826 | S | S | * | * | cis | 145 | 89.5 | -1.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 324 | L | 36.3 | Very low | 34.1 | Very low | 153 Ų | 153 | 156.2 Ų | 156.2 | 80% | 0.801 | 82% | 0.821 | S | S | * | * | trans | 66.7 | 157 | 168.6 | -90.4 | 67.3 | 0 | 0 | 0 | 116.9 | ||||
| 325 | Q | 33.8 | Very low | 34.1 | Very low | 181 Ų | 181 | 153.1 Ų | 153.1 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | cis | -148.9 | 166.8 | -18.1 | -145.7 | 164.2 | 14.8 | 0 | 0 | 109.6 | ||||
| 326 | G | 32.9 | Very low | 33.7 | Very low | 79 Ų | 79 | 154.2 Ų | 154.2 | 81% | 0.814 | 81% | 0.811 | S | S | * | * | trans | -86.2 | 165.9 | -170.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 327 | G | 27.8 | Very low | 33.5 | Very low | 69 Ų | 69 | 157.5 Ų | 157.5 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | trans | -159.6 | 138.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 328 | Q | 32.7 | Very low | 32.9 | Very low | 199 Ų | 199 | 155 Ų | 155 | 93% | 0.93 | 80% | 0.803 | S | S | * | * | trans | -59.1 | 142.1 | -178 | -78.2 | -86 | -5.5 | 0 | 0 | 113 | ||||
| 329 | R | 29.5 | Very low | 32.8 | Very low | 228 Ų | 228 | 152.4 Ų | 152.4 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | trans | -146.8 | 116.9 | 173.2 | -54.5 | -170.6 | 90.9 | -176.3 | 9.1 | 113.8 | ||||
| 330 | K | 33.8 | Very low | 32.4 | Very low | 204 Ų | 204 | 154.1 Ų | 154.1 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | trans | -159.7 | 155 | 140.9 | -71.7 | -159.9 | -176 | 175.2 | 0 | 108.1 | ||||
| 331 | P | 54.4 | Low | 32.2 | Very low | 108 Ų | 108 | 150 Ų | 150 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | cis | -135.7 | 169 | -41.1 | 34.8 | -18.3 | 0 | 0 | 0 | 113 | ||||
| 332 | L | 30.2 | Very low | 32.1 | Very low | 162 Ų | 162 | 152.5 Ų | 152.5 | 85% | 0.848 | 80% | 0.797 | S | S | * | * | trans | 148.6 | 158.4 | 132.3 | -79.7 | 172.5 | 0 | 0 | 0 | 115 | ||||
| 333 | T | 27.8 | Very low | 32.1 | Very low | 127 Ų | 127 | 144.3 Ų | 144.3 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | trans | 62.8 | 103.4 | 152.4 | -168 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 334 | S | 28.4 | Very low | 32.2 | Very low | 97 Ų | 97 | 149.8 Ų | 149.8 | 68% | 0.678 | 79% | 0.792 | S | S | * | * | 70 | 120 | 129.5 | -153.6 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 335 | S | 34.1 | Very low | 32.1 | Very low | 107 Ų | 107 | 149.9 Ų | 149.9 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | trans | 43 | 108 | 131.1 | -40.1 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 336 | Y | 26.3 | Very low | 31.7 | Very low | 210 Ų | 210 | 145 Ų | 145 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | -157.2 | 174.7 | 117.8 | -160.1 | -112.4 | 0 | 0 | 0 | 111.5 | |||||
| 337 | R | 32.2 | Very low | 31.6 | Very low | 191 Ų | 191 | 145.5 Ų | 145.5 | 72% | 0.721 | 80% | 0.802 | S | S | * | * | trans | -64.8 | 161 | 170.6 | -65.1 | 176.8 | 166 | -135.4 | 0.5 | 111.8 | ||||
| 338 | Q | 28.1 | Very low | 31.6 | Very low | 188 Ų | 188 | 145.9 Ų | 145.9 | 88% | 0.879 | 81% | 0.806 | S | S | * | * | trans | -106.7 | 151.9 | 146.5 | -83.7 | -67.5 | 5.6 | 0 | 0 | 110.4 | ||||
| 339 | N | 31.7 | Very low | 31.8 | Very low | 121 Ų | 121 | 142.7 Ų | 142.7 | 65% | 0.647 | 81% | 0.806 | S | S | * | * | trans | -130.2 | 138.1 | -177 | -168.3 | 54.6 | 0 | 0 | 0 | 109.3 | S341 | N339-S341 PolarHBondContact ND2-OG 3.37Š| ||
| 340 | F | 27.1 | Very low | 31.9 | Very low | 208 Ų | 208 | 135.9 Ų | 135.9 | 91% | 0.912 | 81% | 0.806 | S | S | * | * | trans | -76.2 | 132 | 168.7 | -91.7 | -89.5 | 0 | 0 | 0 | 109.5 | ||||
| 341 | S | 32.4 | Very low | 31.7 | Very low | 103 Ų | 103 | 130 Ų | 130 | 72% | 0.72 | 80% | 0.803 | S | S | * | * | trans | -160.8 | 112.7 | 163.9 | -71 | 0 | 0 | 0 | 0 | 110.9 | N339 | N339-S341 PolarHBondContact ND2-OG 3.37Š| ||
| 342 | D | 31.8 | Very low | 30.5 | Very low | 165 Ų | 165 | 128.8 Ų | 128.8 | 88% | 0.882 | 81% | 0.811 | S | S | * | * | trans | -130.8 | 146.3 | 143.4 | -116.8 | -45.1 | 0 | 0 | 0 | 105.2 | ||||
| 343 | A | 32.1 | Very low | 30.5 | Very low | 68 Ų | 68 | 125.1 Ų | 125.1 | 56% | 0.562 | 81% | 0.812 | S | S | * | * | cis | -148.5 | -177.8 | 13.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 344 | M | 32 | Very low | 30.5 | Very low | 177 Ų | 177 | 123.3 Ų | 123.3 | 87% | 0.872 | 82% | 0.819 | S | S | * | * | trans | 82.7 | 62.3 | 158.8 | -45.3 | -159.9 | -173.9 | 0 | 0 | 118.6 | ||||
| 345 | V | 34.6 | Very low | 30.6 | Very low | 155 Ų | 155 | 122.8 Ų | 122.8 | 94% | 0.939 | 83% | 0.829 | S | S | * | * | trans | 18.7 | 125.8 | 131.6 | -178.9 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 346 | G | 26.6 | Very low | 30.3 | Very low | 80 Ų | 80 | 121.3 Ų | 121.3 | 83% | 0.825 | 83% | 0.83 | S | S | * | * | trans | 132.9 | 110.3 | 152.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 347 | G | 29.6 | Very low | 30.4 | Very low | 88 Ų | 88 | 120.7 Ų | 120.7 | 91% | 0.907 | 84% | 0.835 | S | S | * | * | cis | 141.5 | 89.8 | -5.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 348 | G | 28 | Very low | 30.2 | Very low | 77 Ų | 77 | 115.3 Ų | 115.3 | 79% | 0.794 | 84% | 0.838 | S | S | * | * | trans | 166.8 | 131.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 349 | S | 37.2 | Very low | 30.1 | Very low | 133 Ų | 133 | 110.3 Ų | 110.3 | 93% | 0.93 | 84% | 0.837 | S | S | * | * | trans | -138.3 | 144.4 | -172.6 | -62.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 350 | G | 31.1 | Very low | 30 | Very low | 84 Ų | 84 | 108 Ų | 108 | 87% | 0.866 | 84% | 0.843 | S | S | * | * | trans | 136.9 | 144 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 351 | G | 30.1 | Very low | 30.1 | Very low | 80 Ų | 80 | 105.6 Ų | 105.6 | 83% | 0.825 | 84% | 0.838 | S | S | * | * | cis | 168.3 | 146.6 | -9.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 352 | G | 29.8 | Very low | 29.9 | Very low | 84 Ų | 84 | 111.5 Ų | 111.5 | 87% | 0.866 | 85% | 0.846 | S | S | * | * | trans | 69.7 | 89.1 | 152.6 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 353 | G | 29.6 | Very low | 29.7 | Very low | 85 Ų | 85 | 110.4 Ų | 110.4 | 88% | 0.876 | 84% | 0.84 | S | S | * | * | trans | 74.3 | -178.4 | 135.4 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 354 | G | 28.5 | Very low | 29.5 | Very low | 89 Ų | 89 | 116.4 Ų | 116.4 | 92% | 0.918 | 85% | 0.853 | S | S | * | * | trans | 94 | 141.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 355 | G | 29.4 | Very low | 29.2 | Very low | 86 Ų | 86 | 112.3 Ų | 112.3 | 89% | 0.887 | 84% | 0.842 | S | S | * | * | trans | -122.8 | 167 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 356 | G | 27.8 | Very low | 28.9 | Very low | 76 Ų | 76 | 111.6 Ų | 111.6 | 78% | 0.784 | 83% | 0.833 | S | S | * | * | trans | 164.9 | 154.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 357 | E | 28.7 | Very low | 28.8 | Very low | 197 Ų | 197 | 117.6 Ų | 117.6 | 92% | 0.921 | 84% | 0.837 | S | S | * | * | trans | -90.5 | 155.8 | -175.4 | -56.7 | 129.9 | 94.7 | 0 | 0 | 113.7 | ||||
| 358 | G | 27.9 | Very low | 28.7 | Very low | 77 Ų | 77 | 118 Ų | 118 | 79% | 0.794 | 83% | 0.826 | S | S | * | * | trans | 92.6 | 147.9 | 140.6 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 359 | G | 26.6 | Very low | 28.7 | Very low | 83 Ų | 83 | 120.1 Ų | 120.1 | 86% | 0.856 | 83% | 0.828 | S | S | * | * | trans | 78.4 | 144.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 360 | G | 28.5 | Very low | 28.4 | Very low | 74 Ų | 74 | 119.1 Ų | 119.1 | 76% | 0.763 | 82% | 0.821 | S | S | * | * | cis | 93.7 | 141 | 18.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 361 | I | 29.6 | Very low | 28.3 | Very low | 157 Ų | 157 | 118.3 Ų | 118.3 | 81% | 0.805 | 81% | 0.813 | S | S | * | * | cis | -158.2 | 132.5 | 9.4 | -62.5 | 171 | 0 | 0 | 0 | 109 | ||||
| 362 | Y | 29 | Very low | 28.3 | Very low | 227 Ų | 227 | 123.6 Ų | 123.6 | 89% | 0.89 | 82% | 0.816 | S | S | * | * | trans | 173.3 | 132.7 | 132.8 | 65.4 | -101.6 | 0 | 0 | 0 | 110 | ||||
| 363 | N | 27.3 | Very low | 28.3 | Very low | 142 Ų | 142 | 129 Ų | 129 | 76% | 0.759 | 82% | 0.816 | S | S | * | * | cis | 108.5 | 106.2 | 15.7 | -178.5 | 24.6 | 0 | 0 | 0 | 113.9 | ||||
| 364 | K | 26.7 | Very low | 29.4 | Very low | 193 Ų | 193 | 130.6 Ų | 130.6 | 84% | 0.839 | 81% | 0.811 | S | S | * | * | trans | -162.9 | 116 | 144.1 | -159.8 | 157.9 | -178 | 174.1 | 0 | 114 | ||||
| 365 | S | 27.3 | Very low | 29.3 | Very low | 91 Ų | 91 | 132.6 Ų | 132.6 | 64% | 0.636 | 81% | 0.809 | S | S | * | * | trans | 47.6 | 117.5 | 159.6 | 55.3 | 0 | 0 | 0 | 0 | 120 | ||||
| 366 | N | 27.4 | Very low | 29.2 | Very low | 141 Ų | 141 | 133.5 Ų | 133.5 | 75% | 0.754 | 80% | 0.802 | S | S | * | * | 62.9 | 134.5 | 75.5 | -75.6 | 11.5 | 0 | 0 | 0 | 114 | |||||
| 367 | F | 25.1 | Very low | 29.1 | Very low | 205 Ų | 205 | 139.3 Ų | 139.3 | 90% | 0.899 | 80% | 0.802 | S | S | * | * | cis | -118.7 | 169.7 | 45.6 | -95 | -99.9 | 0 | 0 | 0 | 117.8 | ||||
| 368 | S | 28.1 | Very low | 29.1 | Very low | 97 Ų | 97 | 137.8 Ų | 137.8 | 68% | 0.678 | 79% | 0.792 | S | S | * | * | trans | -148.4 | 149.8 | 177.2 | -49.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 369 | S | 27.3 | Very low | 29.1 | Very low | 121 Ų | 121 | 136.8 Ų | 136.8 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | trans | -178.2 | 147.3 | 153.9 | -85 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 370 | S | 31.2 | Very low | 29.4 | Very low | 112 Ų | 112 | 138 Ų | 138 | 78% | 0.783 | 78% | 0.777 | S | S | * | * | cis | -166.5 | 149.4 | -4.8 | 44 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 371 | G | 27.7 | Very low | 29.5 | Very low | 67 Ų | 67 | 143.1 Ų | 143.1 | 69% | 0.691 | 78% | 0.781 | S | S | * | * | trans | 83.8 | 156.2 | 162.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 372 | E | 31.1 | Very low | 29.5 | Very low | 192 Ų | 192 | 138.7 Ų | 138.7 | 90% | 0.897 | 78% | 0.775 | S | S | * | * | cis | -162 | -178.5 | -23.9 | 48.6 | -158.7 | 105.7 | 0 | 0 | 111.2 | ||||
| 373 | K | 29.8 | Very low | 29.6 | Very low | 196 Ų | 196 | 134.6 Ų | 134.6 | 85% | 0.852 | 77% | 0.774 | S | S | * | * | trans | -114.8 | -179.1 | -174.6 | -72.1 | -175 | -178.4 | -179.8 | 0 | 110.3 | ||||
| 374 | P | 52.8 | Low | 29.8 | Very low | 120 Ų | 120 | 135.4 Ų | 135.4 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | cis | -130.1 | 176.1 | -42.4 | 35 | -19.2 | 0 | 0 | 0 | 112.7 | ||||
| 375 | C | 26 | Very low | 30.1 | Very low | 131 Ų | 131 | 129.6 Ų | 129.6 | 89% | 0.885 | 77% | 0.768 | S | S | * | * | trans | -161.8 | -177.6 | 145.3 | -143.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 376 | S | 27.2 | Very low | 30.1 | Very low | 104 Ų | 104 | 136.6 Ų | 136.6 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | -134.8 | -167.8 | -167 | 60.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 377 | Y | 26.1 | Very low | 30.1 | Very low | 198 Ų | 198 | 133.3 Ų | 133.3 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | trans | 80.9 | 137.1 | 167.9 | -144.5 | -138.2 | 0 | 0 | 0 | 114.9 | ||||
| 378 | F | 29.3 | Very low | 30.5 | Very low | 165 Ų | 165 | 131.1 Ų | 131.1 | 72% | 0.724 | 78% | 0.778 | S | S | * | * | cis | -96.8 | -174.5 | -5.2 | -93.6 | -105.2 | 0 | 0 | 0 | 111.5 | ||||
| 379 | G | 26.2 | Very low | 31.6 | Very low | 57 Ų | 57 | 131.1 Ų | 131.1 | 59% | 0.588 | 78% | 0.775 | S | S | * | * | cis | 121.7 | 114.1 | -7.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 380 | S | 33.6 | Very low | 31.8 | Very low | 107 Ų | 107 | 131.8 Ų | 131.8 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | trans | 62.5 | 137.7 | 167.7 | -82.8 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 381 | E | 31.2 | Very low | 31.6 | Very low | 182 Ų | 182 | 136.3 Ų | 136.3 | 85% | 0.85 | 77% | 0.771 | S | S | * | * | cis | -166.2 | 175.2 | -8.9 | 50.3 | -165.8 | 59.9 | 0 | 0 | 109.2 | ||||
| 382 | G | 28.9 | Very low | 32.4 | Very low | 65 Ų | 65 | 137 Ų | 137 | 67% | 0.67 | 76% | 0.763 | S | S | * | * | cis | -166.4 | -117.9 | 13.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 383 | T | 31.4 | Very low | 32.4 | Very low | 141 Ų | 141 | 136.5 Ų | 136.5 | 87% | 0.865 | 76% | 0.758 | S | S | * | * | trans | -156.2 | 159.7 | -145.9 | 1.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 384 | Q | 30.7 | Very low | 32.3 | Very low | 158 Ų | 158 | 135.2 Ų | 135.2 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | cis | -143.3 | 170.7 | 19.6 | -56.4 | 178.5 | 23.6 | 0 | 0 | 112.5 | ||||
| 385 | G | 34.2 | Very low | 31 | Very low | 71 Ų | 71 | 135 Ų | 135 | 73% | 0.732 | 75% | 0.751 | S | S | * | * | trans | -142.4 | 139.1 | 162 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 386 | W | 27.3 | Very low | 31.2 | Very low | 238 Ų | 238 | 134.2 Ų | 134.2 | 90% | 0.902 | 75% | 0.747 | S | S | * | * | trans | -150.9 | 148.2 | 172.1 | -58.5 | 83.3 | 0 | 0 | 0 | 106.5 | ||||
| 387 | G | 27.1 | Very low | 31.4 | Very low | 72 Ų | 72 | 139 Ų | 139 | 74% | 0.742 | 76% | 0.755 | S | S | * | * | cis | 176.2 | 133.3 | -7.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 388 | D | 32.6 | Very low | 31.4 | Very low | 160 Ų | 160 | 140.5 Ų | 140.5 | 86% | 0.856 | 76% | 0.761 | S | S | * | * | trans | -78.8 | -179.8 | 172.1 | -131.6 | -19.5 | 0 | 0 | 0 | 109.8 | ||||
| 389 | P | 52.4 | Low | 31.4 | Very low | 97 Ų | 97 | 137.6 Ų | 137.6 | 63% | 0.63 | 76% | 0.757 | S | S | * | * | cis | -155.6 | -178.2 | 46.4 | 45 | -23 | 0 | 0 | 0 | 119.8 | ||||
| 390 | D | 30.1 | Very low | 31.7 | Very low | 134 Ų | 134 | 142.3 Ų | 142.3 | 72% | 0.717 | 76% | 0.764 | S | S | * | * | trans | 68.4 | 138.9 | 153.7 | -74.8 | -60.6 | 0 | 0 | 0 | 119.4 | ||||
| 391 | Y | 28.3 | Very low | 31.6 | Very low | 207 Ų | 207 | 144.8 Ų | 144.8 | 81% | 0.812 | 76% | 0.764 | S | S | * | * | cis | -150.9 | 160.6 | 29.6 | -165.3 | -106.1 | 0 | 0 | 0 | 112.8 | ||||
| 392 | P | 45 | Very low | 31.4 | Very low | 83 Ų | 83 | 146.9 Ų | 146.9 | 54% | 0.539 | 76% | 0.764 | S | S | . | * | trans | -121.1 | -176.4 | -157.7 | 42.4 | -32.1 | 0 | 0 | 0 | 118.6 | ||||
| 393 | K | 29.3 | Very low | 31.8 | Very low | 180 Ų | 180 | 148.7 Ų | 148.7 | 78% | 0.783 | 77% | 0.766 | S | S | * | * | trans | 94.8 | 141 | 172.3 | -57.5 | 173.8 | -176.1 | 172.7 | 0 | 115 | ||||
| 394 | Q | 28.3 | Very low | 32 | Very low | 169 Ų | 169 | 151.4 Ų | 151.4 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | cis | -160.6 | 165.2 | 5.9 | -137.4 | -179 | -38.9 | 0 | 0 | 113.9 | ||||
| 395 | V | 26.4 | Very low | 32.3 | Very low | 115 Ų | 115 | 147.8 Ų | 147.8 | 70% | 0.697 | 76% | 0.758 | S | S | * | * | trans | 78.3 | 106.7 | 154.4 | 178.7 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 396 | S | 28.8 | Very low | 32.1 | Very low | 116 Ų | 116 | 154 Ų | 154 | 81% | 0.811 | 77% | 0.765 | S | S | * | * | trans | 68.3 | 152 | 135.4 | -61 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 397 | F | 31.6 | Very low | 32.3 | Very low | 204 Ų | 204 | 146.5 Ų | 146.5 | 90% | 0.895 | 76% | 0.762 | S | S | * | * | trans | -79.8 | 149.3 | 179.9 | -72 | -119.6 | 0 | 0 | 0 | 113.7 | ||||
| 398 | Y | 26.6 | Very low | 32.3 | Very low | 230 Ų | 230 | 146.8 Ų | 146.8 | 90% | 0.902 | 77% | 0.765 | S | S | * | * | -162.8 | -175.9 | 125 | -130.5 | -107.7 | 0 | 0 | 0 | 113.5 | |||||
| 399 | T | 29.9 | Very low | 32.6 | Very low | 104 Ų | 104 | 147.3 Ų | 147.3 | 64% | 0.638 | 77% | 0.767 | S | S | * | * | trans | -87.1 | 166.4 | -161.2 | -31.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 400 | Q | 31.7 | Very low | 32.3 | Very low | 155 Ų | 155 | 148.5 Ų | 148.5 | 72% | 0.724 | 78% | 0.775 | S | S | * | * | trans | 101.3 | 144 | 136.8 | -119.1 | -173.3 | 76.5 | 0 | 0 | 122.2 | ||||
| 401 | Q | 31.9 | Very low | 32.7 | Very low | 159 Ų | 159 | 149.8 Ų | 149.8 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | trans | 83.6 | 153.1 | 147.5 | -78 | -169.2 | 28 | 0 | 0 | 125.3 | ||||
| 402 | R | 26.3 | Very low | 33.7 | Very low | 226 Ų | 226 | 145.1 Ų | 145.1 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | trans | 105.2 | 114.9 | 146.5 | -144.7 | 167.2 | -166 | 163 | 4.7 | 115.9 | ||||
| 403 | S | 38.7 | Very low | 33 | Very low | 103 Ų | 103 | 148.8 Ų | 148.8 | 72% | 0.72 | 79% | 0.79 | S | S | * | * | cis | 90.6 | 128.7 | 23.2 | -46.7 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 404 | K | 33.9 | Very low | 33 | Very low | 198 Ų | 198 | 146.4 Ų | 146.4 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | trans | -160.5 | 115.5 | 165.8 | -87.7 | 150.8 | -177.2 | 177.7 | 0 | 106.4 | ||||
| 405 | S | 38.2 | Very low | 33.2 | Very low | 83 Ų | 83 | 148.6 Ų | 148.6 | 58% | 0.58 | 79% | 0.792 | S | S | * | * | 68.4 | 128.5 | 64.8 | 72 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 406 | F | 30.5 | Very low | 33.4 | Very low | 200 Ų | 200 | 150.3 Ų | 150.3 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | cis | -146.2 | 179.6 | 11.6 | -52.3 | -97.7 | 0 | 0 | 0 | 109.6 | ||||
| 407 | G | 30.4 | Very low | 33.6 | Very low | 81 Ų | 81 | 150 Ų | 150 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | cis | 124.7 | 103.6 | -8.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 408 | G | 28.4 | Very low | 34.5 | Very low | 78 Ų | 78 | 146.8 Ų | 146.8 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | 161.4 | 153.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 409 | L | 36.9 | Very low | 34.5 | Very low | 171 Ų | 171 | 139.5 Ų | 139.5 | 90% | 0.895 | 79% | 0.789 | S | S | * | * | trans | -140 | 165.8 | 175.1 | -83 | 178.6 | 0 | 0 | 0 | 108.3 | ||||
| 410 | P | 47.2 | Very low | 35 | Very low | 123 Ų | 123 | 141.4 Ų | 141.4 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | cis | -147.3 | -159.8 | 36.6 | 43.3 | -20 | 0 | 0 | 0 | 117.6 | ||||
| 411 | L | 39.3 | Very low | 35.7 | Very low | 160 Ų | 160 | 140 Ų | 140 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | trans | -74.9 | 179 | 179 | -63 | 169.3 | 0 | 0 | 0 | 113.4 | ||||
| 412 | P | 48.5 | Very low | 36 | Very low | 110 Ų | 110 | 139.4 Ų | 139.4 | 71% | 0.714 | 80% | 0.796 | S | S | * | * | cis | -148.5 | -179 | 15.9 | 45.6 | -25.2 | 0 | 0 | 0 | 120.2 | ||||
| 413 | L | 29.6 | Very low | 37.2 | Very low | 159 Ų | 159 | 133.8 Ų | 133.8 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | trans | 73 | 134.5 | 144.2 | -130.6 | 77.5 | 0 | 0 | 0 | 123.8 | ||||
| 414 | T | 29.7 | Very low | 36.8 | Very low | 130 Ų | 130 | 134 Ų | 134 | 80% | 0.798 | 79% | 0.789 | S | S | * | * | trans | 138.2 | 152.7 | 133.8 | -53.9 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 415 | R | 32.2 | Very low | 36.5 | Very low | 215 Ų | 215 | 128.5 Ų | 128.5 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | trans | -68.3 | 157.8 | -173.7 | -66.1 | 168.3 | 148.4 | -113.8 | 1.7 | 116 | ||||
| 416 | L | 30.1 | Very low | 36 | Very low | 152 Ų | 152 | 128.6 Ų | 128.6 | 80% | 0.796 | 80% | 0.803 | S | S | * | * | 176.8 | 163.4 | 98.8 | -91.7 | 175.6 | 0 | 0 | 0 | 114.1 | |||||
| 417 | S | 34.6 | Very low | 35.8 | Very low | 109 Ų | 109 | 123.1 Ų | 123.1 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | trans | -132.6 | 152 | 172.2 | -52.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 418 | P | 50.1 | Low | 35.9 | Very low | 137 Ų | 137 | 126 Ų | 126 | 89% | 0.89 | 80% | 0.804 | S | S | * | * | -143.3 | 177.5 | 108.4 | 37.2 | -21.2 | 0 | 0 | 0 | 112.6 | |||||
| 419 | G | 27.2 | Very low | 36.8 | Very low | 77 Ų | 77 | 127.1 Ų | 127.1 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | cis | -167.5 | -172.3 | 5.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 420 | L | 38.7 | Very low | 36.5 | Very low | 143 Ų | 143 | 126.2 Ų | 126.2 | 75% | 0.749 | 79% | 0.793 | S | S | * | * | trans | -97.1 | 165.6 | -171.4 | -111.2 | 166.4 | 0 | 0 | 0 | 112.7 | E422 | L420-E422 HydrophobicContact CD2-CG 4.46Š| ||
| 421 | P | 47 | Very low | 35.7 | Very low | 126 Ų | 126 | 127.7 Ų | 127.7 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | -139.6 | 167.5 | 91 | 35.3 | -18.6 | 0 | 0 | 0 | 116.5 | |||||
| 422 | E | 39.1 | Very low | 35.3 | Very low | 146 Ų | 146 | 124.5 Ų | 124.5 | 68% | 0.682 | 79% | 0.786 | S | S | * | * | trans | -100 | -167.8 | -171.6 | -122.1 | -164.4 | 98.7 | 0 | 0 | 111.7 | L420 | L420-E422 HydrophobicContact CD2-CG 4.46Š| ||
| 423 | P | 50.7 | Low | 34.5 | Very low | 108 Ų | 108 | 125.7 Ų | 125.7 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | cis | -141.8 | 172.2 | 24 | 41.2 | -20.2 | 0 | 0 | 0 | 119.6 | ||||
| 424 | C | 30.1 | Very low | 34.5 | Very low | 108 Ų | 108 | 123.7 Ų | 123.7 | 73% | 0.73 | 79% | 0.785 | S | S | * | * | trans | 31.6 | 137.3 | 146.9 | -57 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 425 | G | 28.4 | Very low | 34.5 | Very low | 82 Ų | 82 | 122.3 Ų | 122.3 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | cis | 92.1 | 133.1 | 9.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 426 | G | 27.1 | Very low | 34.5 | Very low | 86 Ų | 86 | 120 Ų | 120 | 89% | 0.887 | 78% | 0.783 | S | S | * | * | cis | 166.5 | 155.8 | -6.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 427 | G | 27.1 | Very low | 34.4 | Very low | 85 Ų | 85 | 119.4 Ų | 119.4 | 88% | 0.876 | 79% | 0.785 | S | S | * | * | trans | -178.9 | 154 | 179.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 428 | T | 31.4 | Very low | 34.2 | Very low | 142 Ų | 142 | 119.8 Ų | 119.8 | 87% | 0.871 | 79% | 0.788 | S | S | * | * | trans | -88.5 | 172.8 | 167.2 | 40.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 429 | P | 46.9 | Very low | 33 | Very low | 100 Ų | 100 | 116.7 Ų | 116.7 | 65% | 0.649 | 78% | 0.78 | S | S | * | * | cis | -148 | -179.9 | 23.5 | 46.4 | -26.6 | 0 | 0 | 0 | 119.2 | ||||
| 430 | N | 31.2 | Very low | 33.6 | Very low | 152 Ų | 152 | 118.8 Ų | 118.8 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | trans | 66.1 | 123 | 146.4 | -65.6 | -8.3 | 0 | 0 | 0 | 123.6 | ||||
| 431 | N | 31.3 | Very low | 33.9 | Very low | 154 Ų | 154 | 117.4 Ų | 117.4 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | trans | 93.5 | 137.1 | 131 | -116.4 | 3.7 | 0 | 0 | 0 | 124 | ||||
| 432 | S | 31.5 | Very low | 33.2 | Very low | 94 Ų | 94 | 120.1 Ų | 120.1 | 66% | 0.657 | 78% | 0.784 | S | S | * | * | trans | 66.2 | 117.5 | 145.2 | 52.5 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 433 | V | 30.6 | Very low | 32.9 | Very low | 135 Ų | 135 | 116.2 Ų | 116.2 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | 85 | 134.6 | 130.9 | 176.4 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 434 | T | 30.6 | Very low | 32 | Very low | 116 Ų | 116 | 120.1 Ų | 120.1 | 71% | 0.712 | 79% | 0.785 | S | S | * | * | trans | -33.8 | 144.9 | 175.1 | 56.9 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 435 | S | 28.9 | Very low | 31.9 | Very low | 101 Ų | 101 | 118.7 Ų | 118.7 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | 156 | 133.2 | 110 | -79.3 | 0 | 0 | 0 | 0 | 116 | |||||
| 436 | I | 31.1 | Very low | 32.2 | Very low | 167 Ų | 167 | 125.3 Ų | 125.3 | 86% | 0.856 | 78% | 0.781 | S | S | * | * | trans | 50.7 | 149 | 156.7 | 16 | 173.8 | 0 | 0 | 0 | 123.9 | ||||
| 437 | V | 29.5 | Very low | 32.5 | Very low | 139 Ų | 139 | 132.2 Ų | 132.2 | 84% | 0.842 | 78% | 0.781 | S | S | * | * | trans | 95.5 | 137.6 | 148.6 | 101.8 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 438 | S | 29.1 | Very low | 32.8 | Very low | 118 Ų | 118 | 131.6 Ų | 131.6 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | trans | -71.2 | 163.2 | -165.7 | -37.3 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 439 | G | 26.1 | Very low | 32.7 | Very low | 71 Ų | 71 | 133.5 Ų | 133.5 | 73% | 0.732 | 77% | 0.766 | S | S | * | * | 144 | 134.9 | 124.2 | 0 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 440 | S | 40.1 | Very low | 32.1 | Very low | 122 Ų | 122 | 133.7 Ų | 133.7 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | trans | 64.7 | 170.7 | 156 | -84.9 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 441 | P | 44.5 | Very low | 32.3 | Very low | 113 Ų | 113 | 134.8 Ų | 134.8 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | cis | -111.5 | 174.1 | -7.2 | 33.9 | -15.7 | 0 | 0 | 0 | 112.2 | ||||
| 442 | H | 31.6 | Very low | 33 | Very low | 183 Ų | 183 | 132.5 Ų | 132.5 | 85% | 0.847 | 76% | 0.763 | S | S | * | * | 51.6 | 137.6 | 61.9 | -110.1 | -40.7 | 0 | 0 | 0 | 113 | |||||
| 443 | A | 32.7 | Very low | 33.1 | Very low | 64 Ų | 64 | 132.4 Ų | 132.4 | 53% | 0.529 | 77% | 0.768 | S | S | . | * | cis | -165.1 | -177.7 | 10.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 444 | Q | 33.1 | Very low | 33.3 | Very low | 190 Ų | 190 | 131.4 Ų | 131.4 | 89% | 0.888 | 77% | 0.767 | S | S | * | * | trans | 81.3 | 141.5 | 154.7 | -66.8 | 176.6 | 46.9 | 0 | 0 | 119.2 | ||||
| 445 | A | 27.1 | Very low | 33.5 | Very low | 79 Ų | 79 | 131 Ų | 131 | 65% | 0.653 | 78% | 0.775 | S | S | * | * | cis | -165 | 171.4 | -8.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 446 | R | 34.2 | Very low | 33.7 | Very low | 220 Ų | 220 | 129.9 Ų | 129.9 | 83% | 0.83 | 78% | 0.779 | S | S | * | * | trans | 89.6 | 116.1 | 167.4 | -54.3 | -171.6 | -176.1 | -102.9 | -4.9 | 114.8 | ||||
| 447 | R | 34.8 | Very low | 33.9 | Very low | 232 Ų | 232 | 129.9 Ų | 129.9 | 88% | 0.875 | 78% | 0.781 | S | S | * | * | 81.4 | 131.1 | 56.1 | -75.8 | -172.2 | -171.6 | -172.4 | 4.4 | 112 | |||||
| 448 | A | 32 | Very low | 34 | Very low | 71 Ų | 71 | 126.4 Ų | 126.4 | 59% | 0.587 | 77% | 0.773 | S | S | * | * | cis | -165.2 | -176.8 | -2.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 449 | H | 31.3 | Very low | 34.2 | Very low | 183 Ų | 183 | 130.3 Ų | 130.3 | 85% | 0.847 | 78% | 0.776 | S | S | * | * | trans | 77.7 | 138.1 | 171.9 | -49.9 | -84.3 | 0 | 0 | 0 | 116 | ||||
| 450 | S | 32.6 | Very low | 34.8 | Very low | 103 Ų | 103 | 132.7 Ų | 132.7 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | cis | -165.8 | 179.7 | -8.9 | 41 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 451 | E | 36.3 | Very low | 34.5 | Very low | 176 Ų | 176 | 130.5 Ų | 130.5 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | trans | 84.6 | 152.3 | 171.5 | -63 | -71.7 | 77.9 | 0 | 0 | 119.2 | ||||
| 452 | P | 46 | Very low | 34 | Very low | 106 Ų | 106 | 136.5 Ų | 136.5 | 69% | 0.688 | 78% | 0.783 | S | S | * | * | trans | -136.3 | 174.7 | -145.3 | 42.9 | -25.2 | 0 | 0 | 0 | 118.3 | ||||
| 453 | A | 33.5 | Very low | 34.3 | Very low | 91 Ų | 91 | 135.8 Ų | 135.8 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | trans | 67.5 | 149.4 | 152 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 454 | S | 35.4 | Very low | 34.5 | Very low | 114 Ų | 114 | 138.3 Ų | 138.3 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | cis | -165 | 151.9 | -15.8 | -102.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 455 | A | 34.3 | Very low | 35.2 | Very low | 108 Ų | 108 | 135 Ų | 135 | 89% | 0.893 | 79% | 0.788 | S | S | * | * | trans | 52.2 | 136.1 | 150.4 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 456 | G | 32.8 | Very low | 36.1 | Very low | 77 Ų | 77 | 137.4 Ų | 137.4 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | trans | 162.9 | 72.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 457 | D | 35.1 | Very low | 36.2 | Very low | 167 Ų | 167 | 133.6 Ų | 133.6 | 89% | 0.893 | 79% | 0.793 | S | S | * | * | trans | -68 | 148.7 | 176.5 | -82.6 | -85.1 | 0 | 0 | 0 | 113.9 | ||||
| 458 | G | 31.1 | Very low | 36.6 | Very low | 66 Ų | 66 | 127.7 Ų | 127.7 | 68% | 0.68 | 79% | 0.787 | S | S | * | * | trans | -162.6 | 3.8 | -169.6 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 459 | F | 34.4 | Very low | 37.2 | Very low | 201 Ų | 201 | 129.6 Ų | 129.6 | 88% | 0.882 | 79% | 0.793 | S | S | * | * | trans | 63.4 | 164.8 | 170.6 | -78.9 | -88.5 | 0 | 0 | 0 | 117.7 | ||||
| 460 | P | 38.8 | Very low | 37.9 | Very low | 121 Ų | 121 | 126.5 Ų | 126.5 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | trans | -93.8 | 123.8 | -145.6 | 33.7 | -36.2 | 0 | 0 | 0 | 116.4 | ||||
| 461 | G | 32.3 | Very low | 38.7 | Very low | 75 Ų | 75 | 126.2 Ų | 126.2 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | -88 | 116.3 | 166.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 462 | R | 34.3 | Very low | 39.5 | Very low | 239 Ų | 239 | 123.5 Ų | 123.5 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | trans | 23.3 | 117.6 | 142.4 | -163.3 | -178.8 | -163.1 | -147.3 | 5 | 118.3 | P464 | R462-P464 WeakPolarHBondContact O-CD 3.29Š| ||
| 463 | L | 39 | Very low | 40.3 | Very low | 168 Ų | 168 | 123.5 Ų | 123.5 | 88% | 0.88 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -47.5 | 126.5 | 172 | -64.2 | 171.8 | 0 | 0 | 0 | 113.8 | ||
| 464 | P | 36.9 | Very low | 42.4 | Very low | 118 Ų | 118 | 127.1 Ų | 127.1 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 133.3 | 155.2 | -6.8 | 25.5 | 0 | 0 | 0 | 110 | R462 | R462-P464 WeakPolarHBondContact O-CD 3.29Š|
| 465 | V | 46.7 | Very low | 45.1 | Very low | 121 Ų | 121 | 125.4 Ų | 125.4 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 132.5 | 166.9 | 176.1 | 0 | 0 | 0 | 0 | 108.5 | D467 | V465-D467 PolarHBondContact O-N 3Å; V465-D467 VanDerWaalsContact O-N 3.08Å |
| 466 | P | 46.5 | Very low | 47.9 | Very low | 128 Ų | 128 | 120.2 Ų | 120.2 | 83% | 0.831 | 72% | 0.721 | S | S | * | * | trans | -77 | 92.5 | 172.2 | 30.9 | -32.8 | 0 | 0 | 0 | 110.1 | ||||
| 467 | D | 35.5 | Very low | 50.6 | Low | 141 Ų | 141 | 119.8 Ų | 119.8 | 75% | 0.754 | 70% | 0.699 | S | S | * | * | trans | -77.6 | 127.8 | 173.4 | -123 | -46.8 | 0 | 0 | 0 | 111.4 | V465 | V465-D467 PolarHBondContact O-N 3Å; V465-D467 VanDerWaalsContact O-N 3.08Å | ||
| 468 | S | 42.8 | Very low | 53.2 | Low | 107 Ų | 107 | 115.2 Ų | 115.2 | 75% | 0.748 | 68% | 0.677 | S | S | * | * | S | Bend | trans | 65.9 | 146.4 | 167.8 | -62 | 0 | 0 | 0 | 0 | 119.5 | ||
| 469 | P | 45.7 | Very low | 56.1 | Low | 111 Ų | 111 | 113.5 Ų | 113.5 | 72% | 0.721 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 158.9 | -177.9 | 34.8 | -36.6 | 0 | 0 | 0 | 113.6 | ||
| 470 | P | 45.5 | Very low | 58.8 | Low | 119 Ų | 119 | 111.1 Ų | 111.1 | 77% | 0.773 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -64 | 150.7 | 167.9 | 29.5 | -35.2 | 0 | 0 | 0 | 111.2 | T472 | P470-T472 PolarHBondContact O-N 3.28Š|
| 471 | A | 50.5 | Low | 61.2 | Low | 97 Ų | 97 | 113.6 Ų | 113.6 | 80% | 0.802 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 125.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | V473 | A471-V473 PolarHBondContact O-N 2.76Å; A471-V473 VanDerWaalsContact O-N 3.1Å |
| 472 | T | 52.3 | Low | 63.9 | Low | 119 Ų | 119 | 112 Ų | 112 | 73% | 0.73 | 62% | 0.621 | S | S | * | * | trans | -66.7 | 112.3 | -173.6 | 43.2 | 0 | 0 | 0 | 0 | 111.3 | P470 R474 | P470-T472 PolarHBondContact O-N 3.28Å; T472-R474 PolarHBondContact O-N 3.29Å; T472-R474 VanDerWaalsContact O-N 3.17Å | ||
| 473 | V | 63.4 | Low | 66.7 | Low | 106 Ų | 106 | 107.1 Ų | 107.1 | 64% | 0.642 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 120.1 | 161.3 | -179.9 | 0 | 0 | 0 | 0 | 106.2 | A471 D475 K483 | A471-V473 PolarHBondContact O-N 2.76Å; A471-V473 VanDerWaalsContact O-N 3.1Å; V473-D475 PolarHBondContact O-N 3.41Å; V473-K483 HydrophobicContact CG1-CB 4.25Å |
| 474 | R | 77.3 | Confident | 69.3 | Low | 166 Ų | 166 | 100.1 Ų | 100.1 | 63% | 0.626 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 117.1 | 177.5 | -70 | -169.9 | 179.8 | -174.6 | -0.4 | 109 | T472 V484 | T472-R474 PolarHBondContact O-N 3.29Å; T472-R474 VanDerWaalsContact O-N 3.17Å; R474-V484 HydrophobicContact CB-CB 4.5Å; R474-V484 HydrophobicContact CB-CG2 4.01Å; R474-V484 WeakPolarHBondContact O-CB 3.35Å; R474-V484 VanDerWaalsContact O-CG2 3.27Å; R474-V484 WeakPolarHBondContact O-CG2 3.23Å; R474-V484 PolarHBondContact O-N 2.86Å |
| 475 | D | 91.7 | Very high | 72 | Confident | 78 Ų | 78 | 95.7 Ų | 95.7 | 42% | 0.417 | 54% | 0.542 | S | S | . | . | B | Isolated β-bridge | trans | -84.1 | 157.8 | 170.2 | -58.3 | -53.4 | 0 | 0 | 0 | 111.2 | V473 M477 | V473-D475 PolarHBondContact O-N 3.41Å; D475-M477 PolarHBondContact O-N 2.95Å |
| 476 | C | 92.9 | Very high | 74.3 | Confident | 0 Ų | 0 | 89.9 Ų | 89.9 | 0% | 0 | 51% | 0.507 | C | S | . | . | P | Polyproline II helix | trans | -64.5 | 124.3 | -177.8 | 173.6 | 0 | 0 | 0 | 0 | 111.1 | T478 C479 F480 S482 L495 C497 C500 | C476-T478 PolarHBondContact O-N 3.45Å; C476-C479 PolarHBondContact O-N 3.17Å; C476-F480 WeakPolarHBondContact O-CA 3.46Å; C476-F480 PolarHBondContact O-N 3.28Å; C476-S482 WeakPolarHBondContact CB-O 3.49Å; C476-S482 PolarHBondContact N-O 2.9Å; C476-L495 WeakPolarHBondContact CA-O 3.4Å; C476-C497 HydrophobicContact CB-CB 3.93Å; C476-C497 PolarHBondContact SG-N 3.14Å; C476-C500 VanDerWaalsContact SG-CB 3.53Å |
| 477 | M | 90.6 | Very high | 76.6 | Confident | 68 Ų | 68 | 84.1 Ų | 84.1 | 34% | 0.335 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -5.9 | -179.5 | 65.4 | 155.4 | 55 | 0 | 0 | 115.5 | D475 F480 L495 F496 P513 V514 | D475-M477 PolarHBondContact O-N 2.95Å; M477-F480 WeakPolarHBondContact O-CE2 3.24Å; M477-F480 VanDerWaalsContact O-CZ 3.24Å; M477-F480 WeakPolarHBondContact O-CZ 3.4Å; M477-L495 HydrophobicContact CE-CB 3.85Å; M477-L495 HydrophobicContact CE-CD1 3.58Å; M477-L495 HydrophobicContact CE-CG 4.34Å; M477-L495 HydrophobicContact CG-CB 4.28Å; M477-L495 WeakPolarHBondContact CG-O 3.3Å; M477-L495 PolarHBondContact N-O 3.22Å; M477-F496 HydrophobicContact CG-CD1 3.98Å; M477-F496 HydrophobicContact CG-CE1 3.5Å; M477-F496 VanDerWaalsContact CG-CE1 3.5Å; M477-F496 HydrophobicContact CG-CZ 4.12Å; M477-F496 HydrophobicContact SD-CE1 3.62Å; M477-F496 HydrophobicContact SD-CZ 3.75Å; M477-P513 HydrophobicContact SD-CG 4.33Å; M477-V514 HydrophobicContact CE-CG2 3.62Å; M477-V514 HydrophobicContact SD-CG2 3.82Å |
| 478 | T | 89.4 | Confident | 79.5 | Confident | 70 Ų | 70 | 77.4 Ų | 77.4 | 43% | 0.429 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | -22.6 | -176.1 | -48.6 | 0 | 0 | 0 | 0 | 113.1 | C476 F496 C500 | C476-T478 PolarHBondContact O-N 3.45Å; T478-F496 WeakPolarHBondContact OG1-CD1 3.49Å; T478-C500 HydrophobicContact CG2-CB 4.09Å |
| 479 | C | 92.1 | Very high | 81.9 | Confident | 30 Ų | 30 | 74.2 Ų | 74.2 | 20% | 0.203 | 41% | 0.41 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -130.9 | -15.3 | 177 | 65.3 | 0 | 0 | 0 | 0 | 114.6 | C476 E481 | C476-C479 PolarHBondContact O-N 3.17Å; C479-E481 WeakPolarHBondContact O-CG 3.37Å; C479-E481 PolarHBondContact O-N 2.88Å |
| 480 | F | 90.1 | Very high | 84.1 | Confident | 152 Ų | 152 | 73.2 Ų | 73.2 | 67% | 0.667 | 40% | 0.403 | S | S | * | . | S | Bend | trans | 58 | -8.1 | -179.5 | -56.8 | -82.6 | 0 | 0 | 0 | 117 | C476 M477 | C476-F480 WeakPolarHBondContact O-CA 3.46Å; C476-F480 PolarHBondContact O-N 3.28Å; M477-F480 WeakPolarHBondContact O-CE2 3.24Å; M477-F480 VanDerWaalsContact O-CZ 3.24Å; M477-F480 WeakPolarHBondContact O-CZ 3.4Å |
| 481 | E | 89.3 | Confident | 86.5 | Confident | 172 Ų | 172 | 69.1 Ų | 69.1 | 80% | 0.804 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -93.1 | -23.2 | -179.1 | -66.6 | 163.9 | 172.2 | 0 | 0 | 114.2 | C479 | C479-E481 WeakPolarHBondContact O-CG 3.37Å; C479-E481 PolarHBondContact O-N 2.88Å |
| 482 | S | 90.3 | Very high | 88.4 | Confident | 41 Ų | 41 | 66.8 Ų | 66.8 | 29% | 0.287 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -119.4 | 128.5 | -169.3 | -72.1 | 0 | 0 | 0 | 0 | 112.3 | C476 | C476-S482 WeakPolarHBondContact CB-O 3.49Å; C476-S482 PolarHBondContact N-O 2.9Å |
| 483 | K | 92.1 | Very high | 90.4 | Very high | 138 Ų | 138 | 63.7 Ų | 63.7 | 60% | 0.6 | 34% | 0.339 | S | S | * | . | B | Isolated β-bridge | trans | -54.3 | 143.5 | 176.4 | 64.1 | 165.8 | -176.5 | 176.5 | 0 | 113.5 | V473 T485 | V473-K483 HydrophobicContact CG1-CB 4.25Å; K483-T485 HydrophobicContact CD-CG2 4.4Å; K483-T485 HydrophobicContact CG-CG2 4.15Å; K483-T485 PolarHBondContact O-N 3Å; K483-T485 PolarHBondContact O-OG1 3.15Å |
| 484 | V | 93.7 | Very high | 91.8 | Very high | 20 Ų | 20 | 62.7 Ų | 62.7 | 12% | 0.121 | 33% | 0.331 | C | S | . | . | trans | -56.1 | 123.9 | 173.5 | 168.9 | 0 | 0 | 0 | 0 | 110.4 | R474 N494 F496 I525 | R474-V484 HydrophobicContact CB-CB 4.5Å; R474-V484 HydrophobicContact CB-CG2 4.01Å; R474-V484 WeakPolarHBondContact O-CB 3.35Å; R474-V484 VanDerWaalsContact O-CG2 3.27Å; R474-V484 WeakPolarHBondContact O-CG2 3.23Å; R474-V484 PolarHBondContact O-N 2.86Å; V484-N494 VanDerWaalsContact CG1-O 3.23Å; V484-N494 WeakPolarHBondContact CG1-O 3.5Å; V484-F496 WeakPolarHBondContact CA-O 3.37Å; V484-I525 HydrophobicContact CG1-CD1 4.25Å | ||
| 485 | T | 94.3 | Very high | 92.6 | Very high | 25 Ų | 25 | 56.6 Ų | 56.6 | 15% | 0.153 | 31% | 0.31 | C | S | . | . | trans | -146.8 | 1.2 | -175.4 | 39 | 0 | 0 | 0 | 0 | 113.4 | K483 F496 C497 M498 I525 | K483-T485 HydrophobicContact CD-CG2 4.4Å; K483-T485 HydrophobicContact CG-CG2 4.15Å; K483-T485 PolarHBondContact O-N 3Å; K483-T485 PolarHBondContact O-OG1 3.15Å; T485-F496 PolarHBondContact N-O 3.29Å; T485-C497 WeakPolarHBondContact OG1-CA 3.48Å; T485-M498 PolarHBondContact OG1-N 3.34Å; T485-I525 PolarHBondContact O-N 3.45Å | ||
| 486 | A | 94.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 154.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | F496 M498 A501 I523 | A486-F496 PolarHBondContact N-O 3.32Å; A486-M498 HydrophobicContact CB-CE 3.88Å; A486-M498 HydrophobicContact CB-SD 4.45Å; A486-A501 HydrophobicContact CB-CB 3.48Å; A486-A501 VanDerWaalsContact CB-CB 3.48Å; A486-I523 CarbonylContact C-O 3.6Å; A486-I523 VanDerWaalsContact CA-O 3.23Å; A486-I523 WeakPolarHBondContact CA-O 3.31Å |
| 487 | A | 95.3 | Very high | 92.8 | Very high | 6 Ų | 6 | 53.1 Ų | 53.1 | 5% | 0.05 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 150.7 | 167 | 0 | 0 | 0 | 0 | 0 | 110.7 | H493 N494 I523 I525 | A487-H493 VanDerWaalsContact CA-O 3.3Å; A487-H493 WeakPolarHBondContact CA-O 3.25Å; A487-N494 HydrophobicContact CB-CB 4.06Å; A487-I523 HydrophobicContact CB-CG1 4.13Å; A487-I523 PolarHBondContact N-O 2.76Å; A487-I523 WeakPolarHBondContact O-CG1 3.29Å; A487-I523 PolarHBondContact O-N 3.03Å; A487-I525 HydrophobicContact CB-CG2 3.95Å |
| 488 | L | 95.8 | Very high | 93 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 131.2 | -178.8 | -57.6 | 179.4 | 0 | 0 | 0 | 111.2 | C491 G492 H493 F496 A501 I504 C512 V519 A522 | L488-C491 PolarHBondContact O-N 3.07Å; L488-G492 WeakPolarHBondContact O-CA 3.39Å; L488-G492 PolarHBondContact O-N 2.97Å; L488-H493 PolarHBondContact N-O 3.25Å; L488-H493 VanDerWaalsContact N-O 3.16Å; L488-F496 HydrophobicContact CD1-CD2 3.76Å; L488-F496 HydrophobicContact CD1-CE2 3.4Å; L488-F496 VanDerWaalsContact CD1-CE2 3.4Å; L488-F496 HydrophobicContact CD1-CG 4.49Å; L488-F496 HydrophobicContact CD1-CZ 3.87Å; L488-F496 HydrophobicContact CD2-CD2 4.47Å; L488-F496 HydrophobicContact CG-CD2 3.79Å; L488-F496 HydrophobicContact CG-CE2 3.87Å; L488-A501 HydrophobicContact CD2-CB 3.67Å; L488-I504 HydrophobicContact CD1-CD1 4.27Å; L488-I504 HydrophobicContact CD1-CG2 4.11Å; L488-C512 HydrophobicContact CD1-CB 4.04Å; L488-V519 HydrophobicContact CB-CG1 3.97Å; L488-V519 HydrophobicContact CB-CG2 4Å; L488-V519 HydrophobicContact CD1-CG2 4.12Å; L488-V519 HydrophobicContact CD2-CG1 4.14Å; L488-V519 HydrophobicContact CG-CG1 4.47Å; L488-A522 HydrophobicContact CD2-CB 4.36Å |
| 489 | V | 94.5 | Very high | 93.3 | Very high | 41 Ų | 41 | 53.8 Ų | 53.8 | 25% | 0.248 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 134.9 | 179.2 | -178.7 | 0 | 0 | 0 | 0 | 108.9 | V519 T520 Q521 I523 | V489-V519 CarbonylContact O-C 3.59Å; V489-V519 WeakPolarHBondContact O-CA 3.44Å; V489-V519 WeakPolarHBondContact O-CG1 3.46Å; V489-T520 PolarHBondContact O-N 3.21Å; V489-Q521 HydrophobicContact CB-CB 4.13Å; V489-Q521 WeakPolarHBondContact CB-O 3.32Å; V489-Q521 HydrophobicContact CG2-CB 4.35Å; V489-Q521 PolarHBondContact N-O 2.95Å; V489-I523 HydrophobicContact CG2-CB 4.43Å; V489-I523 HydrophobicContact CG2-CD1 3.96Å; V489-I523 HydrophobicContact CG2-CG1 3.94Å; V489-I523 HydrophobicContact CG2-CG2 3.71Å |
| 490 | P | 91.6 | Very high | 93.4 | Very high | 90 Ų | 90 | 52.4 Ų | 52.4 | 58% | 0.584 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -91.9 | -6.3 | 7.2 | 36.6 | -35 | 0 | 0 | 0 | 115.1 | G492 T517 Q518 | P490-G492 VanDerWaalsContact C-N 3.29Å; P490-G492 PolarHBondContact O-N 3.28Å; P490-T517 HydrophobicContact CG-CG2 4.39Å; P490-Q518 WeakPolarHBondContact CD-O 3.46Å |
| 491 | C | 94.4 | Very high | 93.7 | Very high | 32 Ų | 32 | 45.1 Ų | 45.1 | 22% | 0.216 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -14.7 | -167.4 | 69.2 | 0 | 0 | 0 | 0 | 115.3 | L488 H493 C512 T517 | L488-C491 PolarHBondContact O-N 3.07Å; C491-H493 VanDerWaalsContact C-N 3.29Å; C491-H493 PolarHBondContact O-N 3.07Å; C491-H493 PolarHBondContact O-ND1 3.38Å; C491-H493 PolarHBondContact SG-ND1 3.5Å; C491-H493 VanDerWaalsContact SG-ND1 3.36Å; C491-C512 VanDerWaalsContact SG-CB 3.57Å; C491-T517 HydrophobicContact CB-CG2 4.08Å |
| 492 | G | 92.1 | Very high | 93.9 | Very high | 48 Ų | 48 | 40.3 Ų | 40.3 | 50% | 0.495 | 23% | 0.227 | S | C | . | . | trans | 78 | 1.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | L488 P490 N494 | L488-G492 WeakPolarHBondContact O-CA 3.39Å; L488-G492 PolarHBondContact O-N 2.97Å; P490-G492 VanDerWaalsContact C-N 3.29Å; P490-G492 PolarHBondContact O-N 3.28Å; G492-N494 PolarHBondContact O-N 3.3Å | ||
| 493 | H | 93.9 | Very high | 94.1 | Very high | 54 Ų | 54 | 44.9 Ų | 44.9 | 25% | 0.25 | 24% | 0.238 | C | C | . | . | trans | -67.1 | 116.4 | -173.7 | -74.2 | 88.6 | 0 | 0 | 0 | 112.1 | A487 L488 C491 F496 V514 C515 | A487-H493 VanDerWaalsContact CA-O 3.3Å; A487-H493 WeakPolarHBondContact CA-O 3.25Å; L488-H493 PolarHBondContact N-O 3.25Å; L488-H493 VanDerWaalsContact N-O 3.16Å; C491-H493 VanDerWaalsContact C-N 3.29Å; C491-H493 PolarHBondContact O-N 3.07Å; C491-H493 PolarHBondContact O-ND1 3.38Å; C491-H493 PolarHBondContact SG-ND1 3.5Å; C491-H493 VanDerWaalsContact SG-ND1 3.36Å; H493-F496 HydrophobicContact CB-CE2 4.19Å; H493-V514 HydrophobicContact CB-CG2 4.23Å; H493-C515 PolarHBondContact CE1-SG 2.87Å; H493-C515 PolarHBondContact ND1-SG 3.05Å; H493-C515 VanDerWaalsContact ND1-SG 3.36Å | ||
| 494 | N | 92.9 | Very high | 94.2 | Very high | 86 Ų | 86 | 39 Ų | 39 | 46% | 0.46 | 21% | 0.213 | S | C | . | . | trans | -107.7 | 62.8 | -172.9 | 62.1 | -32.1 | 0 | 0 | 0 | 111.5 | V484 A487 G492 I525 | V484-N494 VanDerWaalsContact CG1-O 3.23Å; V484-N494 WeakPolarHBondContact CG1-O 3.5Å; A487-N494 HydrophobicContact CB-CB 4.06Å; G492-N494 PolarHBondContact O-N 3.3Å; N494-I525 HydrophobicContact CB-CD1 3.71Å | ||
| 495 | L | 92.9 | Very high | 94.1 | Very high | 38 Ų | 38 | 39.7 Ų | 39.7 | 20% | 0.199 | 22% | 0.219 | C | C | . | . | trans | -130.7 | 20.8 | -176.2 | -63.9 | 172 | 0 | 0 | 0 | 112.7 | C476 M477 V514 | C476-L495 WeakPolarHBondContact CA-O 3.4Å; M477-L495 HydrophobicContact CE-CB 3.85Å; M477-L495 HydrophobicContact CE-CD1 3.58Å; M477-L495 HydrophobicContact CE-CG 4.34Å; M477-L495 HydrophobicContact CG-CB 4.28Å; M477-L495 WeakPolarHBondContact CG-O 3.3Å; M477-L495 PolarHBondContact N-O 3.22Å; L495-V514 HydrophobicContact CD1-CG2 4.44Å | ||
| 496 | F | 94.1 | Very high | 94 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | B | Isolated β-bridge | trans | -127.2 | 148.6 | -172.4 | -52 | -78.2 | 0 | 0 | 0 | 112 | M477 T478 V484 T485 A486 L488 H493 A501 I504 P513 V514 | M477-F496 HydrophobicContact CG-CD1 3.98Å; M477-F496 HydrophobicContact CG-CE1 3.5Å; M477-F496 VanDerWaalsContact CG-CE1 3.5Å; M477-F496 HydrophobicContact CG-CZ 4.12Å; M477-F496 HydrophobicContact SD-CE1 3.62Å; M477-F496 HydrophobicContact SD-CZ 3.75Å; T478-F496 WeakPolarHBondContact OG1-CD1 3.49Å; V484-F496 WeakPolarHBondContact CA-O 3.37Å; T485-F496 PolarHBondContact N-O 3.29Å; A486-F496 PolarHBondContact N-O 3.32Å; L488-F496 HydrophobicContact CD1-CD2 3.76Å; L488-F496 HydrophobicContact CD1-CE2 3.4Å; L488-F496 VanDerWaalsContact CD1-CE2 3.4Å; L488-F496 HydrophobicContact CD1-CG 4.49Å; L488-F496 HydrophobicContact CD1-CZ 3.87Å; L488-F496 HydrophobicContact CD2-CD2 4.47Å; L488-F496 HydrophobicContact CG-CD2 3.79Å; L488-F496 HydrophobicContact CG-CE2 3.87Å; H493-F496 HydrophobicContact CB-CE2 4.19Å; F496-A501 HydrophobicContact CB-CB 3.98Å; F496-I504 HydrophobicContact CD1-CD1 3.81Å; F496-I504 HydrophobicContact CE1-CD1 3.73Å; F496-I504 HydrophobicContact CZ-CD1 4.39Å; F496-P513 HydrophobicContact CE1-CG 3.71Å; F496-P513 HydrophobicContact CZ-CG 3.74Å; F496-V514 HydrophobicContact CE2-CG2 4.32Å; F496-V514 HydrophobicContact CZ-CG2 3.87Å |
| 497 | C | 95.3 | Very high | 93.9 | Very high | 4 Ų | 4 | 49.9 Ų | 49.9 | 3% | 0.027 | 27% | 0.267 | C | S | . | . | trans | -77.7 | 163.7 | 159 | 72.6 | 0 | 0 | 0 | 0 | 109.8 | C476 T485 E499 C500 A501 | C476-C497 HydrophobicContact CB-CB 3.93Å; C476-C497 PolarHBondContact SG-N 3.14Å; T485-C497 WeakPolarHBondContact OG1-CA 3.48Å; C497-E499 VanDerWaalsContact C-N 3.34Å; C497-E499 PolarHBondContact O-N 3.5Å; C497-C500 PolarHBondContact O-N 3.47Å; C497-A501 WeakPolarHBondContact O-CB 3.47Å; C497-A501 PolarHBondContact O-N 3.42Å | ||
| 498 | M | 94.8 | Very high | 93.4 | Very high | 25 Ų | 25 | 57.3 Ų | 57.3 | 12% | 0.123 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -55.1 | -45.4 | -178.3 | -173.5 | 53.8 | 57.2 | 0 | 0 | 113.4 | T485 A486 C500 A501 I502 R524 | T485-M498 PolarHBondContact OG1-N 3.34Å; A486-M498 HydrophobicContact CB-CE 3.88Å; A486-M498 HydrophobicContact CB-SD 4.45Å; M498-C500 PolarHBondContact O-N 3.44Å; M498-A501 PolarHBondContact O-N 3.3Å; M498-I502 HydrophobicContact CG-CD1 3.77Å; M498-I502 HydrophobicContact CG-CG1 4.44Å; M498-I502 WeakPolarHBondContact O-CG1 3.47Å; M498-I502 PolarHBondContact O-N 2.85Å; M498-I502 HydrophobicContact SD-CD1 3.78Å; M498-I502 HydrophobicContact SD-CG1 4Å; M498-R524 VanDerWaalsContact CE-CA 3.44Å; M498-R524 HydrophobicContact CE-CB 3.46Å; M498-R524 VanDerWaalsContact CE-CB 3.46Å; M498-R524 HydrophobicContact CE-CG 3.87Å |
| 499 | E | 95.8 | Very high | 92.9 | Very high | 127 Ų | 127 | 64.2 Ų | 64.2 | 59% | 0.593 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -71 | -30.7 | -175.9 | -68.7 | 142.7 | -136.1 | 0 | 0 | 113.5 | C497 R503 | C497-E499 VanDerWaalsContact C-N 3.34Å; C497-E499 PolarHBondContact O-N 3.5Å; E499-R503 WeakPolarHBondContact O-CB 3.47Å; E499-R503 VanDerWaalsContact O-CG 3.3Å; E499-R503 WeakPolarHBondContact O-CG 3.35Å; E499-R503 PolarHBondContact O-N 3.38Å; E499-R503 PolarHBondContact O-NE 2.98Å |
| 500 | C | 95.3 | Very high | 92.7 | Very high | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.007 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -75.1 | -39.1 | 171.1 | -67.6 | 0 | 0 | 0 | 0 | 111.2 | C476 T478 C497 M498 R503 I504 | C476-C500 VanDerWaalsContact SG-CB 3.53Å; T478-C500 HydrophobicContact CG2-CB 4.09Å; C497-C500 PolarHBondContact O-N 3.47Å; M498-C500 PolarHBondContact O-N 3.44Å; C500-R503 PolarHBondContact O-N 2.86Å; C500-R503 PolarHBondContact SG-NH2 3.38Å; C500-I504 WeakPolarHBondContact O-CD1 3.41Å; C500-I504 VanDerWaalsContact O-CG1 3.28Å; C500-I504 WeakPolarHBondContact O-CG1 3.45Å; C500-I504 PolarHBondContact O-N 3.1Å |
| 501 | A | 95.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.9 | -41.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A486 L488 F496 C497 M498 I504 C505 A522 | A486-A501 HydrophobicContact CB-CB 3.48Å; A486-A501 VanDerWaalsContact CB-CB 3.48Å; L488-A501 HydrophobicContact CD2-CB 3.67Å; F496-A501 HydrophobicContact CB-CB 3.98Å; C497-A501 WeakPolarHBondContact O-CB 3.47Å; C497-A501 PolarHBondContact O-N 3.42Å; M498-A501 PolarHBondContact O-N 3.3Å; A501-I504 PolarHBondContact O-N 2.9Å; A501-C505 PolarHBondContact O-N 2.83Å; A501-C505 PolarHBondContact O-SG 3.15Å; A501-A522 HydrophobicContact CB-CB 3.59Å |
| 502 | I | 94.6 | Very high | 92.8 | Very high | 70 Ų | 70 | 61.6 Ų | 61.6 | 36% | 0.359 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.7 | -50.5 | 173.9 | -69.7 | 168.7 | 0 | 0 | 0 | 110.4 | M498 I504 C505 E506 A522 | M498-I502 HydrophobicContact CG-CD1 3.77Å; M498-I502 HydrophobicContact CG-CG1 4.44Å; M498-I502 WeakPolarHBondContact O-CG1 3.47Å; M498-I502 PolarHBondContact O-N 2.85Å; M498-I502 HydrophobicContact SD-CD1 3.78Å; M498-I502 HydrophobicContact SD-CG1 4Å; I502-I504 PolarHBondContact O-N 3.02Å; I502-C505 WeakPolarHBondContact O-CA 3.46Å; I502-C505 WeakPolarHBondContact O-CB 3.22Å; I502-C505 PolarHBondContact O-N 3.45Å; I502-E506 HydrophobicContact CG2-CG 4.28Å; I502-E506 WeakPolarHBondContact CG2-OE1 3.35Å; I502-E506 PolarHBondContact O-N 2.75Å; I502-E506 VanDerWaalsContact O-N 3.11Å; I502-A522 HydrophobicContact CG1-CB 4.29Å |
| 503 | R | 94.6 | Very high | 92.7 | Very high | 137 Ų | 137 | 62.4 Ų | 62.4 | 52% | 0.517 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -56.9 | -34.7 | 178.5 | -78.5 | -178.6 | -72.1 | 172.9 | -6.2 | 113.5 | E499 C500 C505 E506 | E499-R503 WeakPolarHBondContact O-CB 3.47Å; E499-R503 VanDerWaalsContact O-CG 3.3Å; E499-R503 WeakPolarHBondContact O-CG 3.35Å; E499-R503 PolarHBondContact O-N 3.38Å; E499-R503 PolarHBondContact O-NE 2.98Å; C500-R503 PolarHBondContact O-N 2.86Å; C500-R503 PolarHBondContact SG-NH2 3.38Å; R503-C505 VanDerWaalsContact C-N 3.33Å; R503-E506 PolarHBondContact O-N 2.71Å |
| 504 | I | 93.1 | Very high | 92.7 | Very high | 14 Ų | 14 | 62.6 Ų | 62.6 | 7% | 0.072 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.5 | -35.3 | 173.6 | -71.1 | 163 | 0 | 0 | 0 | 111.7 | L488 F496 C500 A501 I502 E506 P510 E511 P513 | L488-I504 HydrophobicContact CD1-CD1 4.27Å; L488-I504 HydrophobicContact CD1-CG2 4.11Å; F496-I504 HydrophobicContact CD1-CD1 3.81Å; F496-I504 HydrophobicContact CE1-CD1 3.73Å; F496-I504 HydrophobicContact CZ-CD1 4.39Å; C500-I504 WeakPolarHBondContact O-CD1 3.41Å; C500-I504 VanDerWaalsContact O-CG1 3.28Å; C500-I504 WeakPolarHBondContact O-CG1 3.45Å; C500-I504 PolarHBondContact O-N 3.1Å; A501-I504 PolarHBondContact O-N 2.9Å; I502-I504 PolarHBondContact O-N 3.02Å; I504-E506 VanDerWaalsContact C-N 3.33Å; I504-P510 WeakPolarHBondContact O-CA 3.39Å; I504-P510 VanDerWaalsContact O-CB 3.24Å; I504-P510 WeakPolarHBondContact O-CB 3.44Å; I504-E511 VanDerWaalsContact CG2-O 3.27Å; I504-E511 WeakPolarHBondContact CG2-O 3.46Å; I504-P513 HydrophobicContact CD1-CG 4.17Å |
| 505 | C | 92.1 | Very high | 92.7 | Very high | 36 Ų | 36 | 60.5 Ų | 60.5 | 24% | 0.243 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -75.2 | -20.2 | 176.7 | -57.8 | 0 | 0 | 0 | 0 | 113.4 | A501 I502 R503 V519 Q521 A522 | A501-C505 PolarHBondContact O-N 2.83Å; A501-C505 PolarHBondContact O-SG 3.15Å; I502-C505 WeakPolarHBondContact O-CA 3.46Å; I502-C505 WeakPolarHBondContact O-CB 3.22Å; I502-C505 PolarHBondContact O-N 3.45Å; R503-C505 VanDerWaalsContact C-N 3.33Å; C505-V519 VanDerWaalsContact SG-CG1 3.55Å; C505-Q521 VanDerWaalsContact SG-C 3.58Å; C505-A522 PolarHBondContact SG-N 3.03Å; C505-A522 VanDerWaalsContact SG-N 3.41Å |
| 506 | E | 92.8 | Very high | 92.7 | Very high | 138 Ų | 138 | 65.2 Ų | 65.2 | 65% | 0.645 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -2.6 | -178.6 | -68.1 | 172.7 | 156.2 | 0 | 0 | 113.5 | I502 R503 I504 | I502-E506 HydrophobicContact CG2-CG 4.28Å; I502-E506 WeakPolarHBondContact CG2-OE1 3.35Å; I502-E506 PolarHBondContact O-N 2.75Å; I502-E506 VanDerWaalsContact O-N 3.11Å; R503-E506 PolarHBondContact O-N 2.71Å; I504-E506 VanDerWaalsContact C-N 3.33Å |
| 507 | L | 90.7 | Very high | 92.6 | Very high | 100 Ų | 100 | 68.1 Ų | 68.1 | 52% | 0.524 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -70 | 148.6 | 174.3 | -64.7 | 175.7 | 0 | 0 | 0 | 111.6 | H509 P510 | L507-H509 PolarHBondContact O-N 3.38Å; L507-H509 VanDerWaalsContact O-N 3.07Å; L507-P510 WeakPolarHBondContact O-CD 3.01Å |
| 508 | N | 84.9 | Confident | 92.5 | Very high | 162 Ų | 162 | 72.9 Ų | 72.9 | 87% | 0.866 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -56.1 | -25.6 | 172.9 | -69 | -11.8 | 0 | 0 | 0 | 113.4 | ||
| 509 | H | 86.5 | Confident | 92.5 | Very high | 145 Ų | 145 | 71.9 Ų | 71.9 | 67% | 0.671 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -130.2 | 91.1 | 169.7 | -60.4 | 99 | 0 | 0 | 0 | 107.6 | L507 E511 | L507-H509 PolarHBondContact O-N 3.38Å; L507-H509 VanDerWaalsContact O-N 3.07Å; H509-E511 PolarHBondContact O-N 3.35Å; H509-E511 VanDerWaalsContact O-N 3.11Å |
| 510 | P | 89.1 | Confident | 92.4 | Very high | 26 Ų | 26 | 71 Ų | 71 | 17% | 0.169 | 37% | 0.367 | C | S | . | . | trans | -78.9 | 97.6 | -175.3 | 30.2 | -32.5 | 0 | 0 | 0 | 109.6 | I504 L507 Q518 V519 | I504-P510 WeakPolarHBondContact O-CA 3.39Å; I504-P510 VanDerWaalsContact O-CB 3.24Å; I504-P510 WeakPolarHBondContact O-CB 3.44Å; L507-P510 WeakPolarHBondContact O-CD 3.01Å; P510-Q518 CarbonylContact O-C 3.59Å; P510-Q518 WeakPolarHBondContact O-CA 3.42Å; P510-Q518 PolarHBondContact O-NE2 3.01Å; P510-V519 WeakPolarHBondContact CG-O 3.36Å; P510-V519 PolarHBondContact O-N 3.04Å | ||
| 511 | E | 94.7 | Very high | 92.2 | Very high | 82 Ų | 82 | 76.4 Ų | 76.4 | 38% | 0.383 | 39% | 0.392 | S | S | . | . | B | Isolated β-bridge | trans | -116.1 | 145.3 | 178.6 | -75.8 | -177.3 | -156.2 | 0 | 0 | 111.8 | I504 H509 P513 H516 | I504-E511 VanDerWaalsContact CG2-O 3.27Å; I504-E511 WeakPolarHBondContact CG2-O 3.46Å; H509-E511 PolarHBondContact O-N 3.35Å; H509-E511 VanDerWaalsContact O-N 3.11Å; E511-P513 WeakPolarHBondContact O-CD 3.17Å; E511-H516 IonicContact OE2-CG 2.7Å; E511-H516 IonicContact OE2-ND1 3.83Å; E511-H516 PolarHBondContact OE2-ND1 3.47Å |
| 512 | C | 93.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 40% | 0.4 | C | S | . | . | trans | -77.2 | 118.9 | 173.6 | 174.9 | 0 | 0 | 0 | 0 | 110.6 | L488 C491 V514 C515 H516 T517 V519 | L488-C512 HydrophobicContact CD1-CB 4.04Å; C491-C512 VanDerWaalsContact SG-CB 3.57Å; C512-V514 PolarHBondContact O-N 2.98Å; C512-C515 VanDerWaalsContact CB-SG 3.59Å; C512-C515 PolarHBondContact O-N 2.89Å; C512-C515 VanDerWaalsContact O-N 3.07Å; C512-H516 WeakPolarHBondContact O-CA 3.49Å; C512-H516 PolarHBondContact O-N 2.81Å; C512-T517 PolarHBondContact N-O 3.27Å; C512-V519 HydrophobicContact CB-CG2 3.66Å | ||
| 513 | P | 90.9 | Very high | 92.2 | Very high | 66 Ų | 66 | 77.5 Ų | 77.5 | 43% | 0.429 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | 7.2 | -175 | 30.1 | -37 | 0 | 0 | 0 | 114.9 | M477 F496 I504 E511 | M477-P513 HydrophobicContact SD-CG 4.33Å; F496-P513 HydrophobicContact CE1-CG 3.71Å; F496-P513 HydrophobicContact CZ-CG 3.74Å; I504-P513 HydrophobicContact CD1-CG 4.17Å; E511-P513 WeakPolarHBondContact O-CD 3.17Å |
| 514 | V | 92.3 | Very high | 92.2 | Very high | 58 Ų | 58 | 77.6 Ų | 77.6 | 35% | 0.352 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | -24 | 173.8 | -159.5 | 0 | 0 | 0 | 0 | 112.2 | M477 H493 L495 F496 C512 | M477-V514 HydrophobicContact CE-CG2 3.62Å; M477-V514 HydrophobicContact SD-CG2 3.82Å; H493-V514 HydrophobicContact CB-CG2 4.23Å; L495-V514 HydrophobicContact CD1-CG2 4.44Å; F496-V514 HydrophobicContact CE2-CG2 4.32Å; F496-V514 HydrophobicContact CZ-CG2 3.87Å; C512-V514 PolarHBondContact O-N 2.98Å |
| 515 | C | 92.9 | Very high | 92.1 | Very high | 42 Ų | 42 | 79.2 Ų | 79.2 | 28% | 0.284 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -149.4 | 4.1 | -167.3 | 64.4 | 0 | 0 | 0 | 0 | 115.1 | H493 C512 T517 | H493-C515 PolarHBondContact CE1-SG 2.87Å; H493-C515 PolarHBondContact ND1-SG 3.05Å; H493-C515 VanDerWaalsContact ND1-SG 3.36Å; C512-C515 VanDerWaalsContact CB-SG 3.59Å; C512-C515 PolarHBondContact O-N 2.89Å; C512-C515 VanDerWaalsContact O-N 3.07Å; C515-T517 PolarHBondContact O-N 2.91Å; C515-T517 PolarHBondContact O-OG1 2.85Å; C515-T517 PolarHBondContact SG-OG1 2.81Å |
| 516 | H | 92.7 | Very high | 91.6 | Very high | 137 Ų | 137 | 86.6 Ų | 86.6 | 63% | 0.634 | 44% | 0.437 | S | S | * | . | trans | 51.2 | 19.6 | 179.4 | -60.5 | -77.9 | 0 | 0 | 0 | 115.1 | E511 C512 | E511-H516 IonicContact OE2-CG 2.7Å; E511-H516 IonicContact OE2-ND1 3.83Å; E511-H516 PolarHBondContact OE2-ND1 3.47Å; C512-H516 WeakPolarHBondContact O-CA 3.49Å; C512-H516 PolarHBondContact O-N 2.81Å | ||
| 517 | T | 92.4 | Very high | 90.1 | Very high | 60 Ų | 60 | 88 Ų | 88 | 37% | 0.368 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -80.7 | 133 | 175 | -58 | 0 | 0 | 0 | 0 | 108.6 | P490 C491 C512 C515 V519 | P490-T517 HydrophobicContact CG-CG2 4.39Å; C491-T517 HydrophobicContact CB-CG2 4.08Å; C512-T517 PolarHBondContact N-O 3.27Å; C515-T517 PolarHBondContact O-N 2.91Å; C515-T517 PolarHBondContact O-OG1 2.85Å; C515-T517 PolarHBondContact SG-OG1 2.81Å; T517-V519 PolarHBondContact O-N 3.35Å |
| 518 | Q | 94.5 | Very high | 90.1 | Very high | 105 Ų | 105 | 87.5 Ų | 87.5 | 49% | 0.491 | 46% | 0.46 | S | S | . | . | B | Isolated β-bridge | trans | -55.2 | 130 | 174.2 | -162.1 | 87.9 | 89.8 | 0 | 0 | 110.6 | P490 P510 | P490-Q518 WeakPolarHBondContact CD-O 3.46Å; P510-Q518 CarbonylContact O-C 3.59Å; P510-Q518 WeakPolarHBondContact O-CA 3.42Å; P510-Q518 PolarHBondContact O-NE2 3.01Å |
| 519 | V | 94.4 | Very high | 90.4 | Very high | 3 Ų | 3 | 83.5 Ų | 83.5 | 2% | 0.018 | 44% | 0.439 | C | S | . | . | P | Polyproline II helix | trans | -103.9 | 137.8 | -178.9 | 176.8 | 0 | 0 | 0 | 0 | 109.3 | L488 V489 C505 P510 C512 T517 | L488-V519 HydrophobicContact CB-CG1 3.97Å; L488-V519 HydrophobicContact CB-CG2 4Å; L488-V519 HydrophobicContact CD1-CG2 4.12Å; L488-V519 HydrophobicContact CD2-CG1 4.14Å; L488-V519 HydrophobicContact CG-CG1 4.47Å; V489-V519 CarbonylContact O-C 3.59Å; V489-V519 WeakPolarHBondContact O-CA 3.44Å; V489-V519 WeakPolarHBondContact O-CG1 3.46Å; C505-V519 VanDerWaalsContact SG-CG1 3.55Å; P510-V519 WeakPolarHBondContact CG-O 3.36Å; P510-V519 PolarHBondContact O-N 3.04Å; C512-V519 HydrophobicContact CB-CG2 3.66Å; T517-V519 PolarHBondContact O-N 3.35Å |
| 520 | T | 92.2 | Very high | 90.6 | Very high | 110 Ų | 110 | 80.1 Ų | 80.1 | 68% | 0.675 | 43% | 0.426 | S | S | * | . | trans | -114 | -20.3 | 177.6 | 57.5 | 0 | 0 | 0 | 0 | 113.5 | V489 | V489-T520 PolarHBondContact O-N 3.21Š| ||
| 521 | Q | 92.5 | Very high | 90.7 | Very high | 114 Ų | 114 | 83.3 Ų | 83.3 | 53% | 0.533 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | 145 | -177.4 | -165.7 | 177.1 | 30.9 | 0 | 0 | 112.4 | V489 C505 I523 | V489-Q521 HydrophobicContact CB-CB 4.13Å; V489-Q521 WeakPolarHBondContact CB-O 3.32Å; V489-Q521 HydrophobicContact CG2-CB 4.35Å; V489-Q521 PolarHBondContact N-O 2.95Å; C505-Q521 VanDerWaalsContact SG-C 3.58Å; Q521-I523 HydrophobicContact CG-CG2 4.34Å |
| 522 | A | 95 | Very high | 90.4 | Very high | 21 Ų | 21 | 83.4 Ų | 83.4 | 17% | 0.174 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 128 | 162.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | L488 A501 I502 C505 | L488-A522 HydrophobicContact CD2-CB 4.36Å; A501-A522 HydrophobicContact CB-CB 3.59Å; I502-A522 HydrophobicContact CG1-CB 4.29Å; C505-A522 PolarHBondContact SG-N 3.03Å; C505-A522 VanDerWaalsContact SG-N 3.41Å |
| 523 | I | 95.1 | Very high | 90.2 | Very high | 72 Ų | 72 | 88.9 Ų | 88.9 | 37% | 0.369 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 140.2 | 175.7 | 57.5 | 169.9 | 0 | 0 | 0 | 111 | A486 A487 V489 Q521 | A486-I523 CarbonylContact C-O 3.6Å; A486-I523 VanDerWaalsContact CA-O 3.23Å; A486-I523 WeakPolarHBondContact CA-O 3.31Å; A487-I523 HydrophobicContact CB-CG1 4.13Å; A487-I523 PolarHBondContact N-O 2.76Å; A487-I523 WeakPolarHBondContact O-CG1 3.29Å; A487-I523 PolarHBondContact O-N 3.03Å; V489-I523 HydrophobicContact CG2-CB 4.43Å; V489-I523 HydrophobicContact CG2-CD1 3.96Å; V489-I523 HydrophobicContact CG2-CG1 3.94Å; V489-I523 HydrophobicContact CG2-CG2 3.71Å; Q521-I523 HydrophobicContact CG-CG2 4.34Å |
| 524 | R | 93.8 | Very high | 90.2 | Very high | 139 Ų | 139 | 90.6 Ų | 90.6 | 53% | 0.525 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 129.1 | 174.8 | -168.7 | 172 | -76.7 | -89.2 | 5.2 | 109.5 | M498 F526 | M498-R524 VanDerWaalsContact CE-CA 3.44Å; M498-R524 HydrophobicContact CE-CB 3.46Å; M498-R524 VanDerWaalsContact CE-CB 3.46Å; M498-R524 HydrophobicContact CE-CG 3.87Å; R524-F526 HydrophobicContact CG-CE2 4.37Å; R524-F526 HydrophobicContact CG-CZ 4.21Å |
| 525 | I | 91.9 | Very high | 90 | Very high | 48 Ų | 48 | 93.1 Ų | 93.1 | 25% | 0.246 | 49% | 0.487 | C | S | . | . | trans | -106.1 | 141.2 | 171.3 | 58.9 | 176.8 | 0 | 0 | 0 | 109.6 | V484 T485 A487 N494 | V484-I525 HydrophobicContact CG1-CD1 4.25Å; T485-I525 PolarHBondContact O-N 3.45Å; A487-I525 HydrophobicContact CB-CG2 3.95Å; N494-I525 HydrophobicContact CB-CD1 3.71Å | ||
| 526 | F | 81.5 | Confident | 89.8 | Confident | 190 Ų | 190 | 97.3 Ų | 97.3 | 83% | 0.833 | 50% | 0.504 | S | S | * | . | trans | -109 | 115.9 | 172.3 | -61 | -84.6 | 0 | 0 | 0 | 107.3 | R524 | R524-F526 HydrophobicContact CG-CE2 4.37Å; R524-F526 HydrophobicContact CG-CZ 4.21Å | ||
| 527 | S | 61.3 | Low | 89.5 | Confident | 169 Ų | 169 | 93.7 Ų | 93.7 | 100% | 1.182 | 49% | 0.492 | S | S | * | . | trans | -110.7 | 0 | -179.9 | 60.6 | 0 | 0 | 0 | 0 | 110.2 |
Retrieved 527 of 527 residues in 556.4 ms
(Link to these results)