| 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 | 67.3 | Low | 68.5 | Low | 240 Ų | 240 | 149.1 Ų | 149.1 | 100% | 1.182 | 76% | 0.762 | S | S | * | * | 0 | 95.9 | 0 | -72.6 | -166.7 | 140.2 | 0 | 0 | 107.8 | |||||
| 2 | S | 71.9 | Confident | 68.4 | Low | 120 Ų | 120 | 149.6 Ų | 149.6 | 84% | 0.839 | 75% | 0.754 | S | S | * | * | trans | -91.9 | 111.5 | -174.8 | -52.6 | 0 | 0 | 0 | 0 | 109 | L4 | S2-L4 PolarHBondContact O-N 3.47Š| ||
| 3 | T | 74.7 | Confident | 68.4 | Low | 130 Ų | 130 | 143.9 Ų | 143.9 | 80% | 0.798 | 73% | 0.732 | S | S | * | * | trans | -73.3 | 111.5 | 178.3 | 44.6 | 0 | 0 | 0 | 0 | 109.6 | E5 | T3-E5 PolarHBondContact O-N 3.16Š| ||
| 4 | L | 66.2 | Low | 68.6 | Low | 178 Ų | 178 | 147.5 Ų | 147.5 | 93% | 0.932 | 73% | 0.732 | S | S | * | * | trans | -71 | 105.9 | 172.3 | -70.7 | 166.6 | 0 | 0 | 0 | 109 | S2 | S2-L4 PolarHBondContact O-N 3.47Š| ||
| 5 | E | 67.9 | Low | 69 | Low | 176 Ų | 176 | 150.3 Ų | 150.3 | 82% | 0.822 | 73% | 0.731 | S | S | * | * | trans | -70.1 | 137.4 | 176 | -71.4 | -173.5 | 114.3 | 0 | 0 | 111.7 | T3 | T3-E5 PolarHBondContact O-N 3.16Š| ||
| 6 | S | 69.3 | Low | 69.3 | Low | 60 Ų | 60 | 145.3 Ų | 145.3 | 42% | 0.42 | 72% | 0.716 | S | S | . | * | trans | -73.9 | 132.3 | -173.2 | -179.6 | 0 | 0 | 0 | 0 | 112.1 | R8 D9 | S6-R8 PolarHBondContact O-N 3.49Å; S6-D9 PolarHBondContact O-N 3.17Å; S6-D9 VanDerWaalsContact O-N 3.14Å | ||
| 7 | P | 71.3 | Confident | 69.6 | Low | 104 Ų | 104 | 144.5 Ų | 144.5 | 68% | 0.675 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.3 | -14.1 | 179.7 | -24.7 | 31.8 | 0 | 0 | 0 | 115.7 | ||
| 8 | R | 69.6 | Low | 69.9 | Low | 207 Ų | 207 | 144.4 Ų | 144.4 | 78% | 0.781 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | -27.5 | 179.1 | -75.2 | -171.8 | -175.9 | -157.8 | 2.5 | 113 | S6 | S6-R8 PolarHBondContact O-N 3.49Š|
| 9 | D | 64 | Low | 69.9 | Low | 96 Ų | 96 | 142.8 Ų | 142.8 | 51% | 0.513 | 70% | 0.702 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.2 | -31.6 | -177.4 | -68.3 | -47.1 | 0 | 0 | 0 | 112.4 | S6 R11 K12 T13 | S6-D9 PolarHBondContact O-N 3.17Å; S6-D9 VanDerWaalsContact O-N 3.14Å; D9-R11 PolarHBondContact O-N 3.27Å; D9-R11 VanDerWaalsContact O-N 3.15Å; D9-K12 PolarHBondContact O-N 3.39Å; D9-K12 VanDerWaalsContact O-N 3.1Å; D9-T13 PolarHBondContact O-N 3.26Å |
| 10 | L | 61.3 | Low | 70 | Confident | 120 Ų | 120 | 138.5 Ų | 138.5 | 63% | 0.628 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -59.7 | -24.5 | 172.9 | -84.1 | 128.7 | 0 | 0 | 0 | 114.4 | T13 | L10-T13 PolarHBondContact O-OG1 3.37Å |
| 11 | R | 69.5 | Low | 70.3 | Confident | 209 Ų | 209 | 135.8 Ų | 135.8 | 79% | 0.789 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -79.7 | -24.9 | 177.5 | -70.4 | -170.8 | -171.1 | -174.9 | 3 | 113.2 | D9 | D9-R11 PolarHBondContact O-N 3.27Å; D9-R11 VanDerWaalsContact O-N 3.15Å |
| 12 | K | 68.3 | Low | 70.3 | Confident | 155 Ų | 155 | 128 Ų | 128 | 67% | 0.674 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -78.5 | -41.8 | -179.9 | -73.8 | 178.6 | -178.7 | 171.2 | 0 | 111.2 | D9 R14 R15 S16 | D9-K12 PolarHBondContact O-N 3.39Å; D9-K12 VanDerWaalsContact O-N 3.1Å; K12-R14 PolarHBondContact O-N 2.91Å; K12-R15 PolarHBondContact O-N 2.99Å; K12-S16 PolarHBondContact O-N 3Å; K12-S16 PolarHBondContact O-OG 3.46Å |
| 13 | T | 68 | Low | 70 | Confident | 76 Ų | 76 | 132.1 Ų | 132.1 | 47% | 0.466 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -62.3 | -41.9 | 179.4 | 46.2 | 0 | 0 | 0 | 0 | 112.4 | D9 L10 R15 S16 E17 | D9-T13 PolarHBondContact O-N 3.26Å; L10-T13 PolarHBondContact O-OG1 3.37Å; T13-R15 VanDerWaalsContact C-N 3.27Å; T13-R15 PolarHBondContact O-N 3.15Å; T13-S16 PolarHBondContact O-N 3.01Å; T13-S16 PolarHBondContact O-OG 3.48Å; T13-E17 PolarHBondContact O-N 3.13Å; T13-E17 VanDerWaalsContact O-N 3.11Å |
| 14 | R | 71.3 | Confident | 69.5 | Low | 194 Ų | 194 | 130 Ų | 130 | 73% | 0.732 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -64.5 | -29.8 | 179.6 | -145.6 | 177.4 | -172.5 | -167.3 | 2.3 | 113.5 | K12 Q18 | K12-R14 PolarHBondContact O-N 2.91Å; R14-Q18 PolarHBondContact O-N 3.27Å |
| 15 | R | 73.8 | Confident | 69.2 | Low | 190 Ų | 190 | 124.4 Ų | 124.4 | 72% | 0.717 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -79.4 | -33.6 | 179.2 | -157.8 | 175.1 | -173.6 | -178 | 0.8 | 112.2 | K12 T13 L19 | K12-R15 PolarHBondContact O-N 2.99Å; T13-R15 VanDerWaalsContact C-N 3.27Å; T13-R15 PolarHBondContact O-N 3.15Å; R15-L19 WeakPolarHBondContact O-CG 3.24Å; R15-L19 PolarHBondContact O-N 3.4Å |
| 16 | S | 74.6 | Confident | 68.9 | Low | 69 Ų | 69 | 123 Ų | 123 | 48% | 0.483 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -69.9 | -37.9 | 173.6 | 46.2 | 0 | 0 | 0 | 0 | 112.2 | K12 T13 L19 A20 | K12-S16 PolarHBondContact O-N 3Å; K12-S16 PolarHBondContact O-OG 3.46Å; T13-S16 PolarHBondContact O-N 3.01Å; T13-S16 PolarHBondContact O-OG 3.48Å; S16-L19 PolarHBondContact O-N 3.33Å; S16-A20 PolarHBondContact O-N 3.29Å |
| 17 | E | 74.4 | Confident | 68.7 | Low | 133 Ų | 133 | 128.7 Ų | 128.7 | 62% | 0.621 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -67.6 | -39.7 | 177.1 | -71.4 | 178.4 | 147.6 | 0 | 0 | 112.4 | T13 L19 A20 S21 | T13-E17 PolarHBondContact O-N 3.13Å; T13-E17 VanDerWaalsContact O-N 3.11Å; E17-L19 PolarHBondContact O-N 3.12Å; E17-A20 PolarHBondContact O-N 3.49Å; E17-S21 PolarHBondContact O-N 3.2Å |
| 18 | Q | 74.6 | Confident | 68.3 | Low | 142 Ų | 142 | 130.7 Ų | 130.7 | 66% | 0.664 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -62.9 | -39.8 | 174.1 | -105.4 | -176.8 | -25.2 | 0 | 0 | 112.6 | R14 S21 C22 | R14-Q18 PolarHBondContact O-N 3.27Å; Q18-S21 PolarHBondContact O-N 2.91Å; Q18-C22 PolarHBondContact O-N 3.32Å; Q18-C22 VanDerWaalsContact O-N 3.15Å |
| 19 | L | 70.5 | Confident | 67.8 | Low | 114 Ų | 114 | 127.6 Ų | 127.6 | 60% | 0.597 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -70.8 | -33.5 | 177.4 | -72.9 | 171.9 | 0 | 0 | 0 | 112.5 | R15 S16 E17 R23 | R15-L19 WeakPolarHBondContact O-CG 3.24Å; R15-L19 PolarHBondContact O-N 3.4Å; S16-L19 PolarHBondContact O-N 3.33Å; E17-L19 PolarHBondContact O-N 3.12Å; L19-R23 PolarHBondContact O-N 2.97Å |
| 20 | A | 71.4 | Confident | 67.6 | Low | 56 Ų | 56 | 133.8 Ų | 133.8 | 46% | 0.463 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -66.6 | -42.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S16 E17 C22 R23 S24 | S16-A20 PolarHBondContact O-N 3.29Å; E17-A20 PolarHBondContact O-N 3.49Å; A20-C22 PolarHBondContact O-N 2.88Å; A20-R23 PolarHBondContact O-N 2.75Å; A20-S24 PolarHBondContact O-N 3.41Å; A20-S24 PolarHBondContact O-OG 3.29Å |
| 21 | S | 76.6 | Confident | 67.7 | Low | 83 Ų | 83 | 135.3 Ų | 135.3 | 58% | 0.58 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -61.7 | -41.2 | 177 | -174.6 | 0 | 0 | 0 | 0 | 112.5 | E17 Q18 R23 S24 A25 | E17-S21 PolarHBondContact O-N 3.2Å; Q18-S21 PolarHBondContact O-N 2.91Å; S21-R23 PolarHBondContact O-N 2.78Å; S21-S24 PolarHBondContact O-N 3.03Å; S21-A25 PolarHBondContact O-N 2.92Å |
| 22 | C | 67.7 | Low | 67.3 | Low | 77 Ų | 77 | 130.8 Ų | 130.8 | 52% | 0.52 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -67.2 | -32.3 | 177.2 | -73.3 | 0 | 0 | 0 | 0 | 113.7 | Q18 A20 Q26 | Q18-C22 PolarHBondContact O-N 3.32Å; Q18-C22 VanDerWaalsContact O-N 3.15Å; A20-C22 PolarHBondContact O-N 2.88Å; C22-Q26 PolarHBondContact O-N 3.35Å |
| 23 | R | 65.9 | Low | 67 | Low | 205 Ų | 205 | 129.6 Ų | 129.6 | 77% | 0.774 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -70.3 | -35.2 | 176.9 | -75.6 | -176.5 | 176.4 | -168 | -0.3 | 112.1 | L19 A20 S21 | L19-R23 PolarHBondContact O-N 2.97Å; A20-R23 PolarHBondContact O-N 2.75Å; S21-R23 PolarHBondContact O-N 2.78Å |
| 24 | S | 62.9 | Low | 66.6 | Low | 85 Ų | 85 | 137 Ų | 137 | 59% | 0.594 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -68.4 | -39 | 176.5 | -58.9 | 0 | 0 | 0 | 0 | 112.1 | A20 S21 Q26 K27 | A20-S24 PolarHBondContact O-N 3.41Å; A20-S24 PolarHBondContact O-OG 3.29Å; S21-S24 PolarHBondContact O-N 3.03Å; S24-Q26 PolarHBondContact O-N 3.39Å; S24-K27 PolarHBondContact O-N 3.19Å |
| 25 | A | 60.3 | Low | 66.1 | Low | 61 Ų | 61 | 134.8 Ų | 134.8 | 50% | 0.504 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -66.9 | -34.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | S21 K27 | S21-A25 PolarHBondContact O-N 2.92Å; A25-K27 VanDerWaalsContact C-N 3.27Å; A25-K27 PolarHBondContact O-N 3.18Å |
| 26 | Q | 61.5 | Low | 65.6 | Low | 147 Ų | 147 | 130.7 Ų | 130.7 | 69% | 0.687 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -71.5 | -20 | 178.2 | -74.6 | -173.1 | 4.3 | 0 | 0 | 113.7 | C22 S24 | C22-Q26 PolarHBondContact O-N 3.35Å; S24-Q26 PolarHBondContact O-N 3.39Å |
| 27 | K | 64.9 | Low | 65 | Low | 179 Ų | 179 | 133.1 Ų | 133.1 | 78% | 0.778 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -77.1 | -22.2 | -178.1 | -151.4 | 171.6 | -175.4 | -176.3 | 0 | 112.9 | S24 A25 | S24-K27 PolarHBondContact O-N 3.19Å; A25-K27 VanDerWaalsContact C-N 3.27Å; A25-K27 PolarHBondContact O-N 3.18Å |
| 28 | L | 63.5 | Low | 64.2 | Low | 146 Ų | 146 | 137.3 Ų | 137.3 | 76% | 0.764 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | -12.8 | 179.4 | -66.3 | 178.5 | 0 | 0 | 0 | 114.3 | ||
| 29 | L | 59.7 | Low | 63.1 | Low | 143 Ų | 143 | 135 Ų | 135 | 75% | 0.749 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | 2.5 | -177.8 | -77.6 | 158.4 | 0 | 0 | 0 | 114.4 | H31 | L29-H31 VanDerWaalsContact C-N 3.27Å; L29-H31 PolarHBondContact O-N 2.86Å; L29-H31 VanDerWaalsContact O-N 3.11Å |
| 30 | R | 58.8 | Low | 62.3 | Low | 226 Ų | 226 | 134 Ų | 134 | 85% | 0.853 | 72% | 0.72 | S | S | * | * | trans | -86.7 | 71 | 171.8 | -69.1 | -167.7 | -178.1 | -151 | 1 | 110.1 | ||||
| 31 | H | 64.2 | Low | 61.1 | Low | 152 Ų | 152 | 139.5 Ų | 139.5 | 70% | 0.704 | 74% | 0.736 | S | S | * | * | trans | -66 | 137.5 | 158.5 | -73.4 | -72.8 | 0 | 0 | 0 | 108.9 | L29 V33 | L29-H31 VanDerWaalsContact C-N 3.27Å; L29-H31 PolarHBondContact O-N 2.86Å; L29-H31 VanDerWaalsContact O-N 3.11Å; H31-V33 PolarHBondContact O-N 3.35Å; H31-V33 VanDerWaalsContact O-N 3.09Å | ||
| 32 | P | 60.2 | Low | 59.7 | Low | 114 Ų | 114 | 144.6 Ų | 144.6 | 74% | 0.74 | 75% | 0.75 | S | S | * | * | trans | -61.6 | 116.3 | 176 | 24.9 | -31.7 | 0 | 0 | 0 | 108.3 | R34 | P32-R34 VanDerWaalsContact C-N 3.33Å; P32-R34 PolarHBondContact O-N 3.35Å | ||
| 33 | V | 62.3 | Low | 58.9 | Low | 130 Ų | 130 | 148.9 Ų | 148.9 | 79% | 0.788 | 76% | 0.763 | S | S | * | * | trans | -62.4 | 100.4 | 169.4 | -177.6 | 0 | 0 | 0 | 0 | 105.8 | H31 D35 | H31-V33 PolarHBondContact O-N 3.35Å; H31-V33 VanDerWaalsContact O-N 3.09Å; V33-D35 PolarHBondContact O-N 3.36Å | ||
| 34 | R | 59.8 | Low | 58.1 | Low | 230 Ų | 230 | 142.2 Ų | 142.2 | 87% | 0.868 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 120.6 | 166.4 | -82.7 | -179.3 | 168 | -173.8 | -3.8 | 106.7 | P32 | P32-R34 VanDerWaalsContact C-N 3.33Å; P32-R34 PolarHBondContact O-N 3.35Å |
| 35 | D | 60.4 | Low | 57.7 | Low | 148 Ų | 148 | 149.7 Ų | 149.7 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 125.6 | 172.9 | -68.1 | -71.3 | 0 | 0 | 0 | 109.7 | V33 | V33-D35 PolarHBondContact O-N 3.36Š|
| 36 | P | 64 | Low | 57.5 | Low | 105 Ų | 105 | 154.5 Ų | 154.5 | 68% | 0.682 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 133.5 | 179.1 | 24.6 | -31.1 | 0 | 0 | 0 | 109.6 | K38 | P36-K38 PolarHBondContact O-N 3.15Š|
| 37 | P | 62.7 | Low | 57.2 | Low | 120 Ų | 120 | 152 Ų | 152 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 132.5 | 177.7 | 24.6 | -32.2 | 0 | 0 | 0 | 109.9 | A39 | P37-A39 PolarHBondContact O-N 3.23Š|
| 38 | K | 57.2 | Low | 57 | Low | 220 Ų | 220 | 154.7 Ų | 154.7 | 96% | 0.957 | 80% | 0.8 | S | S | * | * | trans | -64.3 | 82.7 | 172.2 | -68.6 | 175.5 | 177.4 | 177.2 | 0 | 109.1 | P36 | P36-K38 PolarHBondContact O-N 3.15Š| ||
| 39 | A | 51.8 | Low | 57 | Low | 95 Ų | 95 | 152.9 Ų | 152.9 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | trans | -82.6 | 118.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | P37 | P37-A39 PolarHBondContact O-N 3.23Š| ||
| 40 | A | 52.3 | Low | 57.2 | Low | 92 Ų | 92 | 153.2 Ų | 153.2 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | trans | -63.6 | 139.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 41 | H | 46 | Very low | 57.5 | Low | 172 Ų | 172 | 153.5 Ų | 153.5 | 80% | 0.796 | 80% | 0.801 | S | S | * | * | trans | 35.9 | 92.8 | 130.1 | -151.7 | -83.1 | 0 | 0 | 0 | 117.2 | ||||
| 42 | E | 48.6 | Very low | 57.5 | Low | 189 Ų | 189 | 155 Ų | 155 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | trans | -139.6 | 122 | 150 | -153.2 | -178.4 | 126.3 | 0 | 0 | 110.6 | G44 | E42-G44 VanDerWaalsContact C-N 3.33Å; E42-G44 PolarHBondContact O-N 3.29Å | ||
| 43 | E | 49.8 | Very low | 57.7 | Low | 168 Ų | 168 | 153.6 Ų | 153.6 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | trans | -70.2 | 81.1 | -179.4 | -69.4 | -151.8 | 111.9 | 0 | 0 | 111.4 | R45 | E43-R45 VanDerWaalsContact C-N 3.35Å; E43-R45 PolarHBondContact O-N 2.89Å | ||
| 44 | G | 49.7 | Very low | 57.9 | Low | 65 Ų | 65 | 152.7 Ų | 152.7 | 67% | 0.67 | 80% | 0.803 | S | S | * | * | trans | -79.2 | 79.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112 | E42 L46 | E42-G44 VanDerWaalsContact C-N 3.33Å; E42-G44 PolarHBondContact O-N 3.29Å; G44-L46 PolarHBondContact O-N 3.25Å | ||
| 45 | R | 53.5 | Low | 58.3 | Low | 241 Ų | 241 | 147.9 Ų | 147.9 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | trans | -64.6 | 62.8 | 172 | -124.4 | -171.8 | -157.3 | -162.9 | 6.9 | 111.9 | E43 A47 | E43-R45 VanDerWaalsContact C-N 3.35Å; E43-R45 PolarHBondContact O-N 2.89Å; R45-A47 PolarHBondContact O-N 3.09Å | ||
| 46 | L | 56.9 | Low | 58.7 | Low | 163 Ų | 163 | 147 Ų | 147 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | trans | -88.2 | 96.9 | 174.3 | -72.9 | 173.5 | 0 | 0 | 0 | 110.5 | G44 R48 | G44-L46 PolarHBondContact O-N 3.25Å; L46-R48 PolarHBondContact O-N 2.81Å; L46-R48 VanDerWaalsContact O-N 3.14Å | ||
| 47 | A | 54.8 | Low | 58.9 | Low | 95 Ų | 95 | 153.4 Ų | 153.4 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | trans | -19.1 | 104.3 | 162 | 0 | 0 | 0 | 0 | 0 | 113.6 | R45 S49 | R45-A47 PolarHBondContact O-N 3.09Å; A47-S49 VanDerWaalsContact C-N 3.33Å; A47-S49 PolarHBondContact O-N 3.35Å | ||
| 48 | R | 60.4 | Low | 59 | Low | 235 Ų | 235 | 159.5 Ų | 159.5 | 89% | 0.887 | 82% | 0.82 | S | S | * | * | trans | -65.4 | 100.3 | 162 | -70.1 | -176.3 | -174.8 | -157.5 | 1.3 | 107 | L46 I50 | L46-R48 PolarHBondContact O-N 2.81Å; L46-R48 VanDerWaalsContact O-N 3.14Å; R48-I50 PolarHBondContact O-N 2.93Å | ||
| 49 | S | 63.5 | Low | 59.4 | Low | 107 Ų | 107 | 158.1 Ų | 158.1 | 75% | 0.748 | 81% | 0.814 | S | S | * | * | trans | -46.8 | 102.5 | 166.3 | -177.8 | 0 | 0 | 0 | 0 | 108.7 | A47 R51 | A47-S49 VanDerWaalsContact C-N 3.33Å; A47-S49 PolarHBondContact O-N 3.35Å; S49-R51 VanDerWaalsContact C-N 3.31Å; S49-R51 PolarHBondContact O-N 3.44Å | ||
| 50 | I | 64.2 | Low | 60 | Low | 151 Ų | 151 | 159.4 Ų | 159.4 | 77% | 0.774 | 81% | 0.812 | S | S | * | * | trans | -64.6 | 98.6 | 174.7 | -62 | 172.5 | 0 | 0 | 0 | 104.6 | R48 Q52 | R48-I50 PolarHBondContact O-N 2.93Å; I50-Q52 VanDerWaalsContact C-N 3.35Å; I50-Q52 PolarHBondContact O-N 2.76Å | ||
| 51 | R | 65 | Low | 60.1 | Low | 232 Ų | 232 | 164.4 Ų | 164.4 | 88% | 0.875 | 82% | 0.819 | S | S | * | * | trans | -56.1 | 106.4 | 167.7 | -67.5 | -174.9 | -173.5 | -155.5 | 0.9 | 106.1 | S49 A53 | S49-R51 VanDerWaalsContact C-N 3.31Å; S49-R51 PolarHBondContact O-N 3.44Å; R51-A53 PolarHBondContact O-N 2.76Å | ||
| 52 | Q | 65.5 | Low | 60.8 | Low | 183 Ų | 183 | 164.5 Ų | 164.5 | 86% | 0.855 | 82% | 0.821 | S | S | * | * | trans | -52.2 | 113.3 | 172.4 | -67.3 | 174.9 | -2.2 | 0 | 0 | 106.7 | I50 | I50-Q52 VanDerWaalsContact C-N 3.35Å; I50-Q52 PolarHBondContact O-N 2.76Å | ||
| 53 | A | 63.2 | Low | 61.5 | Low | 84 Ų | 84 | 160 Ų | 160 | 69% | 0.694 | 82% | 0.815 | S | S | * | * | trans | -58.3 | 134.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | R51 | R51-A53 PolarHBondContact O-N 2.76Š| ||
| 54 | P | 66.9 | Low | 61.9 | Low | 111 Ų | 111 | 160.4 Ų | 160.4 | 72% | 0.721 | 82% | 0.819 | S | S | * | * | trans | -57.6 | 137.2 | -177.6 | 21.1 | -31.2 | 0 | 0 | 0 | 110.1 | T56 | P54-T56 PolarHBondContact O-N 2.83Š| ||
| 55 | P | 69 | Low | 62.6 | Low | 129 Ų | 129 | 161.8 Ų | 161.8 | 84% | 0.838 | 82% | 0.819 | S | S | * | * | trans | -57.6 | 114.7 | -178.5 | 23.3 | -32.9 | 0 | 0 | 0 | 108.7 | R57 | P55-R57 PolarHBondContact O-N 3.22Š| ||
| 56 | T | 68.8 | Low | 63.1 | Low | 130 Ų | 130 | 155.9 Ų | 155.9 | 80% | 0.798 | 81% | 0.812 | S | S | * | * | trans | -56.9 | 113.7 | 173.6 | 48.7 | 0 | 0 | 0 | 0 | 107.8 | P54 R58 | P54-T56 PolarHBondContact O-N 2.83Å; T56-R58 PolarHBondContact O-N 2.97Å | ||
| 57 | R | 68 | Low | 63.2 | Low | 239 Ų | 239 | 153.6 Ų | 153.6 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | trans | -35.9 | 108.8 | 168.8 | -123 | 177.6 | 176.1 | -171.4 | -1.9 | 108.7 | P55 K59 | P55-R57 PolarHBondContact O-N 3.22Å; R57-K59 VanDerWaalsContact C-N 3.27Å; R57-K59 PolarHBondContact O-N 3.4Å | ||
| 58 | R | 63.5 | Low | 63.7 | Low | 249 Ų | 249 | 157 Ų | 157 | 94% | 0.94 | 80% | 0.804 | S | S | * | * | trans | -56.4 | 97.2 | 165.8 | -81 | 179.9 | 175.1 | 177 | -2.4 | 106.3 | T56 T60 | T56-R58 PolarHBondContact O-N 2.97Å; R58-T60 PolarHBondContact O-N 3.31Å | ||
| 59 | K | 66.8 | Low | 63.4 | Low | 191 Ų | 191 | 151.2 Ų | 151.2 | 83% | 0.83 | 80% | 0.797 | S | S | * | * | trans | -78.3 | 110.7 | 173 | -163.5 | 171 | -175.6 | -179.5 | 0 | 104.9 | R57 E61 | R57-K59 VanDerWaalsContact C-N 3.27Å; R57-K59 PolarHBondContact O-N 3.4Å; K59-E61 PolarHBondContact O-N 3.1Å | ||
| 60 | T | 63.4 | Low | 63.1 | Low | 122 Ų | 122 | 149.9 Ų | 149.9 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | trans | -37.4 | 118.9 | 174.8 | -26.7 | 0 | 0 | 0 | 0 | 109.5 | R58 E62 | R58-T60 PolarHBondContact O-N 3.31Å; T60-E62 PolarHBondContact O-N 3.42Å | ||
| 61 | E | 55.6 | Low | 63.3 | Low | 196 Ų | 196 | 148.8 Ų | 148.8 | 92% | 0.916 | 78% | 0.782 | S | S | * | * | trans | -68.6 | 73.6 | 171.7 | -67.3 | 171.6 | 111.8 | 0 | 0 | 107.8 | K59 A63 | K59-E61 PolarHBondContact O-N 3.1Å; E61-A63 VanDerWaalsContact C-N 3.28Å; E61-A63 PolarHBondContact O-N 3.42Å | ||
| 62 | E | 59.9 | Low | 63.9 | Low | 175 Ų | 175 | 143.8 Ų | 143.8 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | -68.3 | 97.2 | 162.4 | -84.1 | -165.4 | 112.2 | 0 | 0 | 107.5 | T60 M64 | T60-E62 PolarHBondContact O-N 3.42Å; E62-M64 PolarHBondContact O-N 2.81Å; E62-M64 VanDerWaalsContact O-N 3.12Å | ||
| 63 | A | 62.7 | Low | 64.9 | Low | 94 Ų | 94 | 136.5 Ų | 136.5 | 78% | 0.777 | 74% | 0.744 | S | S | * | * | trans | 25.1 | 80.5 | 149.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | E61 S65 | E61-A63 VanDerWaalsContact C-N 3.28Å; E61-A63 PolarHBondContact O-N 3.42Å; A63-S65 PolarHBondContact O-N 2.89Å | ||
| 64 | M | 58.8 | Low | 66.2 | Low | 176 Ų | 176 | 136.9 Ų | 136.9 | 87% | 0.867 | 74% | 0.739 | S | S | * | * | trans | -61.2 | 95 | 165 | -81.7 | 158.4 | 79.3 | 0 | 0 | 107.8 | E62 | E62-M64 PolarHBondContact O-N 2.81Å; E62-M64 VanDerWaalsContact O-N 3.12Å | ||
| 65 | S | 64.7 | Low | 67.5 | Low | 94 Ų | 94 | 134 Ų | 134 | 66% | 0.657 | 72% | 0.721 | S | S | * | * | trans | -43.3 | 137.2 | 168.4 | -169 | 0 | 0 | 0 | 0 | 109.4 | A63 V67 | A63-S65 PolarHBondContact O-N 2.89Å; S65-V67 PolarHBondContact O-N 2.9Å | ||
| 66 | P | 63.9 | Low | 68.8 | Low | 117 Ų | 117 | 129.1 Ų | 129.1 | 76% | 0.76 | 69% | 0.688 | S | S | * | * | trans | -49.2 | 112.6 | -172.6 | 17.2 | -31.2 | 0 | 0 | 0 | 110.1 | Q68 | P66-Q68 PolarHBondContact O-N 3.07Š| ||
| 67 | V | 58.4 | Low | 70.1 | Confident | 115 Ų | 115 | 127.6 Ų | 127.6 | 70% | 0.697 | 67% | 0.671 | S | S | * | * | trans | -59.7 | 104.1 | -179.2 | -174.1 | 0 | 0 | 0 | 0 | 106.4 | S65 | S65-V67 PolarHBondContact O-N 2.9Š| ||
| 68 | Q | 64.8 | Low | 71.5 | Confident | 166 Ų | 166 | 117.3 Ų | 117.3 | 78% | 0.776 | 63% | 0.633 | S | S | * | * | trans | -49.4 | 134.5 | 176.2 | -82.9 | -170 | -20.4 | 0 | 0 | 108.7 | P66 C70 | P66-Q68 PolarHBondContact O-N 3.07Å; Q68-C70 PolarHBondContact O-N 3.36Å | ||
| 69 | P | 55.2 | Low | 73.1 | Confident | 114 Ų | 114 | 107.5 Ų | 107.5 | 74% | 0.74 | 60% | 0.601 | S | S | * | * | trans | -51.7 | 119.6 | -179.1 | 19 | -29.9 | 0 | 0 | 0 | 108 | L71 | P69-L71 PolarHBondContact O-N 2.97Š| ||
| 70 | C | 57.8 | Low | 74.2 | Confident | 79 Ų | 79 | 99.8 Ų | 99.8 | 53% | 0.534 | 58% | 0.576 | S | S | . | * | trans | -52.1 | 103 | -173.3 | -52.4 | 0 | 0 | 0 | 0 | 108.2 | Q68 T72 | Q68-C70 PolarHBondContact O-N 3.36Å; C70-T72 PolarHBondContact O-N 3.23Å | ||
| 71 | L | 67.1 | Low | 75.8 | Confident | 129 Ų | 129 | 98.4 Ų | 98.4 | 68% | 0.675 | 57% | 0.569 | S | S | * | * | trans | -64.4 | 92.1 | 169.2 | -66 | 177.1 | 0 | 0 | 0 | 106.7 | P69 L73 | P69-L71 PolarHBondContact O-N 2.97Å; L71-L73 PolarHBondContact O-N 2.74Å | ||
| 72 | T | 77.7 | Confident | 77.8 | Confident | 127 Ų | 127 | 89.2 Ų | 89.2 | 78% | 0.779 | 53% | 0.526 | S | S | * | . | trans | -70.9 | 101.1 | 174.3 | 43.1 | 0 | 0 | 0 | 0 | 107.3 | C70 | C70-T72 PolarHBondContact O-N 3.23Š| ||
| 73 | L | 86.4 | Confident | 79.5 | Confident | 29 Ų | 29 | 84.5 Ų | 84.5 | 15% | 0.152 | 51% | 0.511 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 144 | 169.2 | -75.3 | 176.7 | 0 | 0 | 0 | 110.2 | L71 A85 L101 I107 | L71-L73 PolarHBondContact O-N 2.74Å; L73-A85 HydrophobicContact CD2-CB 4.3Å; L73-L101 HydrophobicContact CD1-CD1 3.63Å; L73-L101 HydrophobicContact CD1-CD2 4.16Å; L73-I107 HydrophobicContact CD1-CD1 3.66Å; L73-I107 HydrophobicContact CD1-CG2 3.85Å; L73-I107 HydrophobicContact CD2-CD1 4.31Å; L73-I107 HydrophobicContact CG-CD1 3.94Å; L73-I107 HydrophobicContact CG-CG2 4.35Å |
| 74 | P | 90.7 | Very high | 81.1 | Confident | 92 Ų | 92 | 80.5 Ų | 80.5 | 60% | 0.597 | 48% | 0.477 | S | S | * | . | P | Polyproline II helix | trans | -58.4 | 147 | 170.9 | 24.5 | -32.4 | 0 | 0 | 0 | 110.6 | V76 | P74-V76 PolarHBondContact O-N 3.22Š|
| 75 | P | 94 | Very high | 82.7 | Confident | 52 Ų | 52 | 75.8 Ų | 75.8 | 34% | 0.338 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 132.9 | 179.2 | -22 | 31.9 | 0 | 0 | 0 | 112 | S111 M113 T120 | P75-S111 WeakPolarHBondContact CA-O 3.17Å; P75-M113 HydrophobicContact CB-CB 3.88Å; P75-M113 HydrophobicContact CB-CE 4.45Å; P75-T120 HydrophobicContact CB-CG2 4.21Å; P75-T120 HydrophobicContact CG-CG2 4.26Å |
| 76 | V | 96.4 | Very high | 84 | Confident | 26 Ų | 26 | 75.8 Ų | 75.8 | 16% | 0.158 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 134.1 | 179.8 | 179.1 | 0 | 0 | 0 | 0 | 111 | P74 F82 M97 S111 F112 M113 | P74-V76 PolarHBondContact O-N 3.22Å; V76-F82 HydrophobicContact CG1-CD1 3.99Å; V76-M97 HydrophobicContact CB-CE 3.99Å; V76-M97 HydrophobicContact CB-SD 4.49Å; V76-M97 HydrophobicContact CG1-CE 4.08Å; V76-M97 HydrophobicContact CG1-SD 4.09Å; V76-M97 HydrophobicContact CG2-CE 3.42Å; V76-M97 VanDerWaalsContact CG2-CE 3.42Å; V76-M97 HydrophobicContact CG2-SD 4.48Å; V76-S111 PolarHBondContact N-O 3.33Å; V76-F112 HydrophobicContact CB-CD1 4.45Å; V76-F112 CarbonylContact O-C 3.47Å; V76-F112 VanDerWaalsContact O-CA 3.24Å; V76-F112 WeakPolarHBondContact O-CA 3.22Å; V76-M113 PolarHBondContact O-N 3.3Å |
| 77 | F | 97.4 | Very high | 85.5 | Confident | 97 Ų | 97 | 72.5 Ų | 72.5 | 43% | 0.425 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 143.9 | -177.4 | -69.9 | -76.5 | 0 | 0 | 0 | 112.9 | M113 | F77-M113 CarbonylContact C-O 3.45Å; F77-M113 WeakPolarHBondContact CA-O 3.16Å; F77-M113 HydrophobicContact CD1-CB 4.48Å; F77-M113 HydrophobicContact CD1-CE 3.8Å; F77-M113 HydrophobicContact CD1-CG 4.38Å; F77-M113 HydrophobicContact CE1-CE 3.16Å; F77-M113 HydrophobicContact CE1-CG 4.39Å; F77-M113 HydrophobicContact CE1-SD 4.26Å; F77-M113 HydrophobicContact CE2-CE 4.17Å; F77-M113 HydrophobicContact CZ-CE 3.39Å |
| 78 | F | 97.5 | Very high | 87.3 | Confident | 24 Ų | 24 | 73.3 Ų | 73.3 | 11% | 0.105 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 134.2 | 176.1 | -171.3 | -82.9 | 0 | 0 | 0 | 110.3 | F82 P94 M113 R115 I126 Y130 | F78-F82 HydrophobicContact CD2-CE1 4.07Å; F78-F82 AromaticContact CD2-CZ 3.89Å; F78-F82 HydrophobicContact CD2-CZ 3.89Å; F78-F82 HydrophobicContact CE2-CZ 4.16Å; F78-P94 HydrophobicContact CE2-CG 4.43Å; F78-M113 PolarHBondContact N-O 2.95Å; F78-R115 WeakPolarHBondContact O-CB 3.41Å; F78-R115 PolarHBondContact O-N 2.74Å; F78-I126 HydrophobicContact CB-CG1 4.09Å; F78-I126 HydrophobicContact CB-CG2 4.3Å; F78-I126 HydrophobicContact CD2-CG2 3.89Å; F78-I126 HydrophobicContact CE2-CG2 4.36Å; F78-I126 HydrophobicContact CG-CG1 4.34Å; F78-I126 HydrophobicContact CG-CG2 3.97Å; F78-Y130 HydrophobicContact CD1-CD1 4.13Å; F78-Y130 AromaticContact CD1-CD2 3.88Å; F78-Y130 HydrophobicContact CD1-CD2 3.88Å; F78-Y130 AromaticContact CD1-CG 3.59Å; F78-Y130 HydrophobicContact CD1-CG 3.59Å; F78-Y130 AromaticContact CE1-CD1 3.74Å; F78-Y130 HydrophobicContact CE1-CD1 3.74Å; F78-Y130 HydrophobicContact CE1-CD2 4.31Å; F78-Y130 AromaticContact CE1-CG 3.58Å; F78-Y130 HydrophobicContact CE1-CG 3.58Å |
| 79 | P | 95.6 | Very high | 88.9 | Confident | 42 Ų | 42 | 66.9 Ų | 66.9 | 27% | 0.273 | 42% | 0.421 | S | S | . | . | S | Bend | cis | -75.6 | 173.4 | 0.5 | 33 | -38.6 | 0 | 0 | 0 | 111.5 | Y130 | P79-Y130 VanDerWaalsContact CD-OH 3.29Å; P79-Y130 WeakPolarHBondContact CD-OH 3.37Å; P79-Y130 HydrophobicContact CG-CE1 4.03Å; P79-Y130 HydrophobicContact CG-CE2 4.23Å; P79-Y130 WeakPolarHBondContact CG-OH 3.19Å |
| 80 | G | 91 | Very high | 90.9 | Very high | 30 Ų | 30 | 65.7 Ų | 65.7 | 31% | 0.309 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -57.8 | 175.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 81 | P | 96.2 | Very high | 92.8 | Very high | 92 Ų | 92 | 63.9 Ų | 63.9 | 60% | 0.597 | 40% | 0.398 | S | S | * | . | cis | -72.9 | 157.7 | 17.9 | 28.4 | -36.2 | 0 | 0 | 0 | 114.9 | P83 | P81-P83 VanDerWaalsContact C-CD 3.5Å; P81-P83 VanDerWaalsContact O-CD 3.22Å; P81-P83 WeakPolarHBondContact O-CD 3.47Å | ||
| 82 | F | 97.1 | Very high | 94.2 | Very high | 4 Ų | 4 | 63.3 Ų | 63.3 | 2% | 0.018 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 80.4 | -178.3 | -57.9 | -65.3 | 0 | 0 | 0 | 111.1 | V76 F78 F91 T92 P94 M97 F112 | V76-F82 HydrophobicContact CG1-CD1 3.99Å; F78-F82 HydrophobicContact CD2-CE1 4.07Å; F78-F82 AromaticContact CD2-CZ 3.89Å; F78-F82 HydrophobicContact CD2-CZ 3.89Å; F78-F82 HydrophobicContact CE2-CZ 4.16Å; F82-F91 HydrophobicContact CB-CB 4.27Å; F82-F91 WeakPolarHBondContact CB-O 3.43Å; F82-F91 WeakPolarHBondContact CD2-O 3.35Å; F82-F91 PolarHBondContact N-O 2.76Å; F82-F91 VanDerWaalsContact N-O 3.12Å; F82-F91 PolarHBondContact O-N 3.48Å; F82-T92 WeakPolarHBondContact CE2-O 3.27Å; F82-P94 HydrophobicContact CE1-CB 4.33Å; F82-P94 HydrophobicContact CE2-CB 4.16Å; F82-P94 HydrophobicContact CE2-CG 4.4Å; F82-P94 HydrophobicContact CZ-CB 3.98Å; F82-P94 HydrophobicContact CZ-CG 4.33Å; F82-M97 HydrophobicContact CB-CB 4.09Å; F82-M97 HydrophobicContact CB-CG 4.17Å; F82-M97 HydrophobicContact CB-SD 3.63Å; F82-M97 HydrophobicContact CD1-SD 4.24Å; F82-M97 HydrophobicContact CG-SD 4.21Å; F82-F112 HydrophobicContact CD1-CE1 4.17Å; F82-F112 HydrophobicContact CE1-CD1 4.24Å; F82-F112 HydrophobicContact CE1-CE1 4.11Å |
| 83 | P | 96.7 | Very high | 95.2 | Very high | 75 Ų | 75 | 64.6 Ų | 64.6 | 49% | 0.487 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 144 | 177.2 | 30.5 | -34.1 | 0 | 0 | 0 | 111.4 | P81 | P81-P83 VanDerWaalsContact C-CD 3.5Å; P81-P83 VanDerWaalsContact O-CD 3.22Å; P81-P83 WeakPolarHBondContact O-CD 3.47Å |
| 84 | C | 95.9 | Very high | 95.7 | Very high | 11 Ų | 11 | 64.4 Ų | 64.4 | 7% | 0.074 | 39% | 0.391 | C | S | . | . | trans | -77.7 | 137.8 | 168.9 | -172.9 | 0 | 0 | 0 | 0 | 110.4 | H86 C87 A89 H100 Y105 | C84-H86 VanDerWaalsContact C-N 3.27Å; C84-H86 PolarHBondContact O-N 3Å; C84-H86 PolarHBondContact SG-N 3.22Å; C84-C87 VanDerWaalsContact CB-SG 3.58Å; C84-A89 WeakPolarHBondContact CB-O 3.32Å; C84-A89 PolarHBondContact N-O 3.36Å; C84-H100 PolarHBondContact SG-NE2 2.74Å; C84-Y105 VanDerWaalsContact SG-CE2 3.55Å | ||
| 85 | A | 91.9 | Very high | 95.9 | Very high | 77 Ų | 77 | 63.8 Ų | 63.8 | 64% | 0.636 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -77.2 | -15.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L73 | L73-A85 HydrophobicContact CD2-CB 4.3Š|
| 86 | H | 93.3 | Very high | 96.1 | Very high | 94 Ų | 94 | 65 Ų | 65 | 44% | 0.435 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -112.9 | -9.3 | -172.7 | -64.5 | -63.4 | 0 | 0 | 0 | 113.5 | C84 Y105 | C84-H86 VanDerWaalsContact C-N 3.27Å; C84-H86 PolarHBondContact O-N 3Å; C84-H86 PolarHBondContact SG-N 3.22Å; H86-Y105 HydrophobicContact CB-CD1 4.06Å; H86-Y105 HydrophobicContact CB-CD2 4.46Å; H86-Y105 HydrophobicContact CB-CE1 3.35Å; H86-Y105 HydrophobicContact CB-CE2 3.83Å; H86-Y105 VanDerWaalsContact CB-OH 3.27Å; H86-Y105 WeakPolarHBondContact CB-OH 3.23Å; H86-Y105 AromaticContact CG-CE1 3.96Å; H86-Y105 PolarHBondContact O-OH 3.13Å |
| 87 | C | 95.6 | Very high | 96.1 | Very high | 47 Ų | 47 | 63.9 Ų | 63.9 | 32% | 0.318 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -150.5 | 170 | 173.5 | 65.1 | 0 | 0 | 0 | 0 | 111.3 | C84 A89 H100 Y105 | C84-C87 VanDerWaalsContact CB-SG 3.58Å; C87-A89 PolarHBondContact O-N 2.99Å; C87-A89 VanDerWaalsContact O-N 3.15Å; C87-A89 WeakPolarHBondContact SG-CB 3.44Å; C87-H100 VanDerWaalsContact SG-CE1 3.58Å; C87-H100 PolarHBondContact SG-NE2 3.28Å; C87-Y105 VanDerWaalsContact CB-OH 3.32Å; C87-Y105 WeakPolarHBondContact CB-OH 3.39Å; C87-Y105 PolarHBondContact SG-OH 3.44Å; C87-Y105 VanDerWaalsContact SG-OH 3.33Å |
| 88 | S | 96 | Very high | 96.1 | Very high | 132 Ų | 132 | 60.7 Ų | 60.7 | 92% | 0.923 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -73.1 | 5.2 | 177.5 | 50.9 | 0 | 0 | 0 | 0 | 114.4 | ||
| 89 | A | 97.7 | Very high | 96 | Very high | 32 Ų | 32 | 62.2 Ų | 62.2 | 26% | 0.264 | 39% | 0.386 | S | S | . | . | trans | -70.8 | 135.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | C84 C87 F91 | C84-A89 WeakPolarHBondContact CB-O 3.32Å; C84-A89 PolarHBondContact N-O 3.36Å; C87-A89 PolarHBondContact O-N 2.99Å; C87-A89 VanDerWaalsContact O-N 3.15Å; C87-A89 WeakPolarHBondContact SG-CB 3.44Å; A89-F91 HydrophobicContact CB-CE2 3.84Å; A89-F91 HydrophobicContact CB-CZ 3.78Å | ||
| 90 | S | 97.4 | Very high | 96.1 | Very high | 89 Ų | 89 | 61.6 Ų | 61.6 | 62% | 0.622 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 135.8 | 172.9 | 68.6 | 0 | 0 | 0 | 0 | 110.4 | ||
| 91 | F | 98 | Very high | 96.3 | Very high | 40 Ų | 40 | 60.2 Ų | 60.2 | 18% | 0.175 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 149.2 | -177.4 | -55.5 | -85.2 | 0 | 0 | 0 | 111.3 | F82 A89 E96 M97 H100 | F82-F91 HydrophobicContact CB-CB 4.27Å; F82-F91 WeakPolarHBondContact CB-O 3.43Å; F82-F91 WeakPolarHBondContact CD2-O 3.35Å; F82-F91 PolarHBondContact N-O 2.76Å; F82-F91 VanDerWaalsContact N-O 3.12Å; F82-F91 PolarHBondContact O-N 3.48Å; A89-F91 HydrophobicContact CB-CE2 3.84Å; A89-F91 HydrophobicContact CB-CZ 3.78Å; F91-E96 HydrophobicContact CB-CB 4.18Å; F91-E96 HydrophobicContact CD1-CB 3.74Å; F91-E96 HydrophobicContact CG-CB 4.24Å; F91-M97 HydrophobicContact CB-CB 4.01Å; F91-M97 HydrophobicContact CD2-CB 3.77Å; F91-M97 HydrophobicContact CD2-CG 4.06Å; F91-M97 HydrophobicContact CG-CB 4.02Å; F91-H100 HydrophobicContact CE1-CB 3.97Å; F91-H100 HydrophobicContact CE2-CB 3.86Å; F91-H100 AromaticContact CE2-CD2 3.35Å; F91-H100 WeakPolarHBondContact CE2-CD2 3.49Å; F91-H100 AromaticContact CE2-CG 3.64Å; F91-H100 HydrophobicContact CZ-CB 3.38Å; F91-H100 AromaticContact CZ-CD2 3.5Å; F91-H100 VanDerWaalsContact CZ-CD2 3.5Å; F91-H100 WeakPolarHBondContact CZ-CD2 3.41Å; F91-H100 AromaticContact CZ-CG 3.28Å; F91-H100 AromaticContact CZ-ND1 3.86Å |
| 92 | T | 96.7 | Very high | 96.3 | Very high | 117 Ų | 117 | 59.4 Ų | 59.4 | 72% | 0.718 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -90.1 | -25.4 | 175.6 | 66.5 | 0 | 0 | 0 | 0 | 112.1 | F82 | F82-T92 WeakPolarHBondContact CE2-O 3.27Š|
| 93 | R | 97.3 | Very high | 96.2 | Very high | 154 Ų | 154 | 63.8 Ų | 63.8 | 58% | 0.581 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -114.1 | 140.8 | 180 | -59.8 | -177.3 | 178.6 | 174.8 | -2.6 | 111.2 | T95 E96 M97 | R93-T95 PolarHBondContact O-N 3.04Å; R93-E96 HydrophobicContact CB-CB 4.43Å; R93-E96 HydrophobicContact CB-CG 4.03Å; R93-E96 WeakPolarHBondContact CD-OE1 3.46Å; R93-E96 PolarHBondContact O-N 3.39Å; R93-M97 PolarHBondContact O-N 3.33Å |
| 94 | P | 96.5 | Very high | 96.2 | Very high | 25 Ų | 25 | 64 Ų | 64 | 16% | 0.162 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -67.9 | -26 | 179.6 | 29.3 | -35.9 | 0 | 0 | 0 | 112.4 | F78 F82 T98 F112 T123 | F78-P94 HydrophobicContact CE2-CG 4.43Å; F82-P94 HydrophobicContact CE1-CB 4.33Å; F82-P94 HydrophobicContact CE2-CB 4.16Å; F82-P94 HydrophobicContact CE2-CG 4.4Å; F82-P94 HydrophobicContact CZ-CB 3.98Å; F82-P94 HydrophobicContact CZ-CG 4.33Å; P94-T98 WeakPolarHBondContact O-CB 3.32Å; P94-T98 PolarHBondContact O-N 3.43Å; P94-T98 PolarHBondContact O-OG1 2.99Å; P94-F112 HydrophobicContact CB-CE1 3.74Å; P94-F112 HydrophobicContact CB-CZ 3.82Å; P94-T123 HydrophobicContact CB-CG2 3.63Å; P94-T123 HydrophobicContact CG-CG2 3.55Å |
| 95 | T | 96.2 | Very high | 96.1 | Very high | 80 Ų | 80 | 67.1 Ų | 67.1 | 49% | 0.491 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -68.6 | -37.4 | 175.8 | 49.7 | 0 | 0 | 0 | 0 | 112.2 | R93 T98 A99 | R93-T95 PolarHBondContact O-N 3.04Å; T95-T98 PolarHBondContact O-N 2.92Å; T95-A99 WeakPolarHBondContact O-CB 3.32Å; T95-A99 PolarHBondContact O-N 2.89Å |
| 96 | E | 97.7 | Very high | 96.2 | Very high | 76 Ų | 76 | 65.8 Ų | 65.8 | 36% | 0.355 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -68.7 | -46.4 | 177.7 | -68 | 166.3 | -175.2 | 0 | 0 | 110.6 | F91 R93 T98 A99 H100 | F91-E96 HydrophobicContact CB-CB 4.18Å; F91-E96 HydrophobicContact CD1-CB 3.74Å; F91-E96 HydrophobicContact CG-CB 4.24Å; R93-E96 HydrophobicContact CB-CB 4.43Å; R93-E96 HydrophobicContact CB-CG 4.03Å; R93-E96 WeakPolarHBondContact CD-OE1 3.46Å; R93-E96 PolarHBondContact O-N 3.39Å; E96-T98 VanDerWaalsContact C-N 3.3Å; E96-T98 PolarHBondContact O-N 3.38Å; E96-A99 PolarHBondContact O-N 3.09Å; E96-H100 WeakPolarHBondContact O-CB 3.42Å; E96-H100 PolarHBondContact O-N 2.86Å |
| 97 | M | 97.1 | Very high | 96.2 | Very high | 3 Ų | 3 | 62.2 Ų | 62.2 | 2% | 0.015 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -57.9 | -43.3 | 173.1 | -177.2 | -159.4 | 158.9 | 0 | 0 | 111.6 | V76 F82 F91 R93 H100 L101 I110 F112 | V76-M97 HydrophobicContact CB-CE 3.99Å; V76-M97 HydrophobicContact CB-SD 4.49Å; V76-M97 HydrophobicContact CG1-CE 4.08Å; V76-M97 HydrophobicContact CG1-SD 4.09Å; V76-M97 HydrophobicContact CG2-CE 3.42Å; V76-M97 VanDerWaalsContact CG2-CE 3.42Å; V76-M97 HydrophobicContact CG2-SD 4.48Å; F82-M97 HydrophobicContact CB-CB 4.09Å; F82-M97 HydrophobicContact CB-CG 4.17Å; F82-M97 HydrophobicContact CB-SD 3.63Å; F82-M97 HydrophobicContact CD1-SD 4.24Å; F82-M97 HydrophobicContact CG-SD 4.21Å; F91-M97 HydrophobicContact CB-CB 4.01Å; F91-M97 HydrophobicContact CD2-CB 3.77Å; F91-M97 HydrophobicContact CD2-CG 4.06Å; F91-M97 HydrophobicContact CG-CB 4.02Å; R93-M97 PolarHBondContact O-N 3.33Å; M97-H100 PolarHBondContact O-N 3.14Å; M97-L101 HydrophobicContact CE-CD1 3.62Å; M97-L101 HydrophobicContact CG-CD1 4.45Å; M97-L101 WeakPolarHBondContact O-CB 3.24Å; M97-L101 WeakPolarHBondContact O-CG 3.36Å; M97-L101 PolarHBondContact O-N 2.89Å; M97-I110 HydrophobicContact CE-CG2 4.28Å; M97-F112 HydrophobicContact SD-CE1 4.16Å; M97-F112 HydrophobicContact SD-CZ 4.47Å |
| 98 | T | 96 | Very high | 96 | Very high | 30 Ų | 30 | 70 Ų | 70 | 18% | 0.184 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -62.6 | -46.3 | 177.7 | -61.2 | 0 | 0 | 0 | 0 | 111.5 | P94 T95 E96 H100 L101 I102 I110 | P94-T98 WeakPolarHBondContact O-CB 3.32Å; P94-T98 PolarHBondContact O-N 3.43Å; P94-T98 PolarHBondContact O-OG1 2.99Å; T95-T98 PolarHBondContact O-N 2.92Å; E96-T98 VanDerWaalsContact C-N 3.3Å; E96-T98 PolarHBondContact O-N 3.38Å; T98-H100 VanDerWaalsContact C-N 3.34Å; T98-H100 PolarHBondContact O-N 3.32Å; T98-L101 PolarHBondContact O-N 3.44Å; T98-I102 HydrophobicContact CG2-CD1 3.74Å; T98-I102 WeakPolarHBondContact O-CD1 3.48Å; T98-I102 VanDerWaalsContact O-CG1 3.23Å; T98-I102 WeakPolarHBondContact O-CG1 3.29Å; T98-I102 PolarHBondContact O-N 3.07Å; T98-I110 HydrophobicContact CG2-CD1 3.88Å |
| 99 | A | 97 | Very high | 95.8 | Very high | 57 Ų | 57 | 72 Ų | 72 | 47% | 0.471 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.2 | -44 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | T95 E96 I102 S103 | T95-A99 WeakPolarHBondContact O-CB 3.32Å; T95-A99 PolarHBondContact O-N 2.89Å; E96-A99 PolarHBondContact O-N 3.09Å; A99-I102 PolarHBondContact O-N 2.94Å; A99-S103 WeakPolarHBondContact O-CB 3.41Å; A99-S103 PolarHBondContact O-N 3.47Å; A99-S103 PolarHBondContact O-OG 2.82Å; A99-S103 VanDerWaalsContact O-OG 3.09Å |
| 100 | H | 97.5 | Very high | 95.6 | Very high | 28 Ų | 28 | 71.6 Ų | 71.6 | 13% | 0.13 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -59.8 | -47.4 | 175.4 | 167.4 | 67.1 | 0 | 0 | 0 | 112.4 | C84 C87 F91 E96 M97 T98 I102 S103 T104 Y105 | C84-H100 PolarHBondContact SG-NE2 2.74Å; C87-H100 VanDerWaalsContact SG-CE1 3.58Å; C87-H100 PolarHBondContact SG-NE2 3.28Å; F91-H100 HydrophobicContact CE1-CB 3.97Å; F91-H100 HydrophobicContact CE2-CB 3.86Å; F91-H100 AromaticContact CE2-CD2 3.35Å; F91-H100 WeakPolarHBondContact CE2-CD2 3.49Å; F91-H100 AromaticContact CE2-CG 3.64Å; F91-H100 HydrophobicContact CZ-CB 3.38Å; F91-H100 AromaticContact CZ-CD2 3.5Å; F91-H100 VanDerWaalsContact CZ-CD2 3.5Å; F91-H100 WeakPolarHBondContact CZ-CD2 3.41Å; F91-H100 AromaticContact CZ-CG 3.28Å; F91-H100 AromaticContact CZ-ND1 3.86Å; E96-H100 WeakPolarHBondContact O-CB 3.42Å; E96-H100 PolarHBondContact O-N 2.86Å; M97-H100 PolarHBondContact O-N 3.14Å; T98-H100 VanDerWaalsContact C-N 3.34Å; T98-H100 PolarHBondContact O-N 3.32Å; H100-I102 VanDerWaalsContact C-N 3.27Å; H100-I102 PolarHBondContact O-N 2.7Å; H100-S103 PolarHBondContact O-N 2.65Å; H100-S103 PolarHBondContact O-OG 2.92Å; H100-T104 PolarHBondContact CE1-OG1 2.87Å; H100-T104 PolarHBondContact ND1-OG1 3.18Å; H100-T104 VanDerWaalsContact O-CB 3.23Å; H100-T104 WeakPolarHBondContact O-CB 3.5Å; H100-T104 PolarHBondContact O-N 3.13Å; H100-T104 PolarHBondContact O-OG1 3.38Å; H100-Y105 AromaticContact CE1-CE2 3.92Å; H100-Y105 AromaticContact NE2-CE2 3.53Å |
| 101 | L | 95.2 | Very high | 95.5 | Very high | 2 Ų | 2 | 69.4 Ų | 69.4 | 1% | 0.01 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64 | -34.9 | 179.4 | -75.2 | -176.6 | 0 | 0 | 0 | 112.8 | L73 M97 T98 Y105 G106 I107 I110 | L73-L101 HydrophobicContact CD1-CD1 3.63Å; L73-L101 HydrophobicContact CD1-CD2 4.16Å; M97-L101 HydrophobicContact CE-CD1 3.62Å; M97-L101 HydrophobicContact CG-CD1 4.45Å; M97-L101 WeakPolarHBondContact O-CB 3.24Å; M97-L101 WeakPolarHBondContact O-CG 3.36Å; M97-L101 PolarHBondContact O-N 2.89Å; T98-L101 PolarHBondContact O-N 3.44Å; L101-Y105 HydrophobicContact CD2-CD2 3.63Å; L101-Y105 HydrophobicContact CD2-CE2 4Å; L101-Y105 CarbonylContact O-C 3.37Å; L101-Y105 PolarHBondContact O-N 3.31Å; L101-Y105 VanDerWaalsContact O-N 3.15Å; L101-G106 PolarHBondContact O-N 3.33Å; L101-G106 VanDerWaalsContact O-N 3.14Å; L101-I107 HydrophobicContact CB-CB 4.38Å; L101-I107 PolarHBondContact O-N 3.08Å; L101-I110 HydrophobicContact CB-CD1 3.81Å; L101-I110 HydrophobicContact CD1-CD1 3.53Å; L101-I110 HydrophobicContact CD1-CG1 3.73Å; L101-I110 HydrophobicContact CD1-CG2 4.45Å; L101-I110 HydrophobicContact CG-CD1 4.28Å |
| 102 | I | 94.9 | Very high | 95.4 | Very high | 75 Ų | 75 | 67.5 Ų | 67.5 | 39% | 0.385 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -71.2 | -46.9 | 176.1 | -67.3 | 167.1 | 0 | 0 | 0 | 111 | T98 A99 H100 G106 I107 R108 | T98-I102 HydrophobicContact CG2-CD1 3.74Å; T98-I102 WeakPolarHBondContact O-CD1 3.48Å; T98-I102 VanDerWaalsContact O-CG1 3.23Å; T98-I102 WeakPolarHBondContact O-CG1 3.29Å; T98-I102 PolarHBondContact O-N 3.07Å; A99-I102 PolarHBondContact O-N 2.94Å; H100-I102 VanDerWaalsContact C-N 3.27Å; H100-I102 PolarHBondContact O-N 2.7Å; I102-G106 WeakPolarHBondContact O-CA 3.5Å; I102-G106 PolarHBondContact O-N 2.71Å; I102-G106 VanDerWaalsContact O-N 3.09Å; I102-I107 VanDerWaalsContact CG1-O 3.24Å; I102-I107 WeakPolarHBondContact CG1-O 3.21Å; I102-R108 HydrophobicContact CG1-CG 4.48Å |
| 103 | S | 96.5 | Very high | 95.5 | Very high | 96 Ų | 96 | 63.5 Ų | 63.5 | 67% | 0.671 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -76.3 | -36.8 | -174.8 | 64 | 0 | 0 | 0 | 0 | 113.1 | A99 H100 | A99-S103 WeakPolarHBondContact O-CB 3.41Å; A99-S103 PolarHBondContact O-N 3.47Å; A99-S103 PolarHBondContact O-OG 2.82Å; A99-S103 VanDerWaalsContact O-OG 3.09Å; H100-S103 PolarHBondContact O-N 2.65Å; H100-S103 PolarHBondContact O-OG 2.92Å |
| 104 | T | 96.5 | Very high | 95.5 | Very high | 79 Ų | 79 | 56.1 Ų | 56.1 | 49% | 0.485 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -89.1 | -38.7 | -175.4 | -53.6 | 0 | 0 | 0 | 0 | 112.4 | H100 | H100-T104 PolarHBondContact CE1-OG1 2.87Å; H100-T104 PolarHBondContact ND1-OG1 3.18Å; H100-T104 VanDerWaalsContact O-CB 3.23Å; H100-T104 WeakPolarHBondContact O-CB 3.5Å; H100-T104 PolarHBondContact O-N 3.13Å; H100-T104 PolarHBondContact O-OG1 3.38Å |
| 105 | Y | 93.9 | Very high | 95.5 | Very high | 76 Ų | 76 | 62 Ų | 62 | 30% | 0.298 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -120.1 | -2.3 | -173.6 | -50.7 | -74.5 | 0 | 0 | 0 | 113.9 | C84 H86 C87 H100 L101 I107 | C84-Y105 VanDerWaalsContact SG-CE2 3.55Å; H86-Y105 HydrophobicContact CB-CD1 4.06Å; H86-Y105 HydrophobicContact CB-CD2 4.46Å; H86-Y105 HydrophobicContact CB-CE1 3.35Å; H86-Y105 HydrophobicContact CB-CE2 3.83Å; H86-Y105 VanDerWaalsContact CB-OH 3.27Å; H86-Y105 WeakPolarHBondContact CB-OH 3.23Å; H86-Y105 AromaticContact CG-CE1 3.96Å; H86-Y105 PolarHBondContact O-OH 3.13Å; C87-Y105 VanDerWaalsContact CB-OH 3.32Å; C87-Y105 WeakPolarHBondContact CB-OH 3.39Å; C87-Y105 PolarHBondContact SG-OH 3.44Å; C87-Y105 VanDerWaalsContact SG-OH 3.33Å; H100-Y105 AromaticContact CE1-CE2 3.92Å; H100-Y105 AromaticContact NE2-CE2 3.53Å; L101-Y105 HydrophobicContact CD2-CD2 3.63Å; L101-Y105 HydrophobicContact CD2-CE2 4Å; L101-Y105 CarbonylContact O-C 3.37Å; L101-Y105 PolarHBondContact O-N 3.31Å; L101-Y105 VanDerWaalsContact O-N 3.15Å; Y105-I107 HydrophobicContact CG-CD1 4.45Å; Y105-I107 PolarHBondContact O-N 2.88Å |
| 106 | G | 93.7 | Very high | 95.5 | Very high | 49 Ų | 49 | 63.5 Ų | 63.5 | 51% | 0.505 | 32% | 0.323 | S | S | . | . | trans | 69 | 11.1 | -176 | 0 | 0 | 0 | 0 | 0 | 114.3 | L101 I102 R108 | L101-G106 PolarHBondContact O-N 3.33Å; L101-G106 VanDerWaalsContact O-N 3.14Å; I102-G106 WeakPolarHBondContact O-CA 3.5Å; I102-G106 PolarHBondContact O-N 2.71Å; I102-G106 VanDerWaalsContact O-N 3.09Å; G106-R108 PolarHBondContact O-N 3.05Å | ||
| 107 | I | 92.3 | Very high | 95.4 | Very high | 19 Ų | 19 | 62.9 Ų | 62.9 | 10% | 0.097 | 33% | 0.327 | C | S | . | . | trans | -83.1 | 109.4 | -173.6 | -59.8 | 170.9 | 0 | 0 | 0 | 109.8 | L73 L101 I102 Y105 I110 | L73-I107 HydrophobicContact CD1-CD1 3.66Å; L73-I107 HydrophobicContact CD1-CG2 3.85Å; L73-I107 HydrophobicContact CD2-CD1 4.31Å; L73-I107 HydrophobicContact CG-CD1 3.94Å; L73-I107 HydrophobicContact CG-CG2 4.35Å; L101-I107 HydrophobicContact CB-CB 4.38Å; L101-I107 PolarHBondContact O-N 3.08Å; I102-I107 VanDerWaalsContact CG1-O 3.24Å; I102-I107 WeakPolarHBondContact CG1-O 3.21Å; Y105-I107 HydrophobicContact CG-CD1 4.45Å; Y105-I107 PolarHBondContact O-N 2.88Å; I107-I110 HydrophobicContact CG2-CG1 4.31Å | ||
| 108 | R | 91.1 | Very high | 95.4 | Very high | 211 Ų | 211 | 69.7 Ų | 69.7 | 80% | 0.796 | 36% | 0.358 | S | S | * | . | trans | -95.4 | -26.5 | -177.1 | -62.1 | 179.2 | -176.1 | 166.9 | 1.5 | 114.3 | I102 G106 | I102-R108 HydrophobicContact CG1-CG 4.48Å; G106-R108 PolarHBondContact O-N 3.05Å | ||
| 109 | K | 91.9 | Very high | 95.4 | Very high | 173 Ų | 173 | 76 Ų | 76 | 75% | 0.752 | 38% | 0.379 | S | S | * | . | trans | -100 | 95.7 | -175.5 | -68.5 | -177.7 | -177.6 | 174.7 | 0 | 109.6 | ||||
| 110 | I | 93.6 | Very high | 95.5 | Very high | 25 Ų | 25 | 77.2 Ų | 77.2 | 13% | 0.128 | 38% | 0.38 | C | S | . | . | trans | -114.2 | 127.9 | 178.7 | -57.4 | 154.6 | 0 | 0 | 0 | 108.1 | M97 T98 L101 I107 F112 | M97-I110 HydrophobicContact CE-CG2 4.28Å; T98-I110 HydrophobicContact CG2-CD1 3.88Å; L101-I110 HydrophobicContact CB-CD1 3.81Å; L101-I110 HydrophobicContact CD1-CD1 3.53Å; L101-I110 HydrophobicContact CD1-CG1 3.73Å; L101-I110 HydrophobicContact CD1-CG2 4.45Å; L101-I110 HydrophobicContact CG-CD1 4.28Å; I107-I110 HydrophobicContact CG2-CG1 4.31Å; I110-F112 HydrophobicContact CB-CE2 4.37Å; I110-F112 HydrophobicContact CG2-CD2 4.37Å; I110-F112 HydrophobicContact CG2-CE2 3.75Å; I110-F112 HydrophobicContact CG2-CZ 3.9Å | ||
| 111 | S | 95.5 | Very high | 95.4 | Very high | 42 Ų | 42 | 76.9 Ų | 76.9 | 29% | 0.294 | 39% | 0.385 | S | S | . | . | trans | -106.6 | 140.6 | 175 | 69 | 0 | 0 | 0 | 0 | 110.1 | P75 V76 | P75-S111 WeakPolarHBondContact CA-O 3.17Å; V76-S111 PolarHBondContact N-O 3.33Å | ||
| 112 | F | 97 | Very high | 95.4 | Very high | 0 Ų | 0 | 80.1 Ų | 80.1 | 0% | 0 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 139.6 | 177.7 | -66.9 | -92.5 | 0 | 0 | 0 | 109.7 | V76 F82 P94 M97 I110 T120 G121 T123 I126 | V76-F112 HydrophobicContact CB-CD1 4.45Å; V76-F112 CarbonylContact O-C 3.47Å; V76-F112 VanDerWaalsContact O-CA 3.24Å; V76-F112 WeakPolarHBondContact O-CA 3.22Å; F82-F112 HydrophobicContact CD1-CE1 4.17Å; F82-F112 HydrophobicContact CE1-CD1 4.24Å; F82-F112 HydrophobicContact CE1-CE1 4.11Å; P94-F112 HydrophobicContact CB-CE1 3.74Å; P94-F112 HydrophobicContact CB-CZ 3.82Å; M97-F112 HydrophobicContact SD-CE1 4.16Å; M97-F112 HydrophobicContact SD-CZ 4.47Å; I110-F112 HydrophobicContact CB-CE2 4.37Å; I110-F112 HydrophobicContact CG2-CD2 4.37Å; I110-F112 HydrophobicContact CG2-CE2 3.75Å; I110-F112 HydrophobicContact CG2-CZ 3.9Å; F112-T120 CarbonylContact O-C 3.46Å; F112-T120 WeakPolarHBondContact O-CA 3.43Å; F112-G121 PolarHBondContact N-O 2.69Å; F112-G121 PolarHBondContact O-N 2.78Å; F112-T123 WeakPolarHBondContact CE2-OG1 3.33Å; F112-I126 HydrophobicContact CB-CB 4.11Å; F112-I126 HydrophobicContact CB-CG1 4.19Å; F112-I126 HydrophobicContact CB-CG2 3.62Å; F112-I126 HydrophobicContact CG-CG2 4.23Å |
| 113 | M | 97.8 | Very high | 95.5 | Very high | 33 Ų | 33 | 78 Ų | 78 | 16% | 0.163 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 128.3 | -177.8 | -178.9 | 162.5 | 52.3 | 0 | 0 | 111.3 | P75 V76 F77 F78 R115 Q118 R119 T120 | P75-M113 HydrophobicContact CB-CB 3.88Å; P75-M113 HydrophobicContact CB-CE 4.45Å; V76-M113 PolarHBondContact O-N 3.3Å; F77-M113 CarbonylContact C-O 3.45Å; F77-M113 WeakPolarHBondContact CA-O 3.16Å; F77-M113 HydrophobicContact CD1-CB 4.48Å; F77-M113 HydrophobicContact CD1-CE 3.8Å; F77-M113 HydrophobicContact CD1-CG 4.38Å; F77-M113 HydrophobicContact CE1-CE 3.16Å; F77-M113 HydrophobicContact CE1-CG 4.39Å; F77-M113 HydrophobicContact CE1-SD 4.26Å; F77-M113 HydrophobicContact CE2-CE 4.17Å; F77-M113 HydrophobicContact CZ-CE 3.39Å; F78-M113 PolarHBondContact N-O 2.95Å; M113-R115 PolarHBondContact O-N 2.89Å; M113-Q118 HydrophobicContact CG-CB 4.33Å; M113-Q118 HydrophobicContact SD-CB 4.02Å; M113-Q118 HydrophobicContact SD-CG 4.47Å; M113-R119 CarbonylContact C-O 3.56Å; M113-R119 WeakPolarHBondContact CA-O 3.42Å; M113-T120 HydrophobicContact CB-CG2 4.09Å; M113-T120 HydrophobicContact CG-CG2 4.21Å; M113-T120 HydrophobicContact SD-CG2 4.41Å |
| 114 | C | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 79.9 Ų | 79.9 | 0% | 0 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 121.5 | 178.8 | -177.9 | 0 | 0 | 0 | 0 | 110 | K116 C117 Q118 R119 I126 H129 | C114-K116 PolarHBondContact O-N 3.06Å; C114-C117 PolarHBondContact O-N 2.96Å; C114-Q118 WeakPolarHBondContact O-CA 3.28Å; C114-Q118 PolarHBondContact O-N 2.77Å; C114-R119 HydrophobicContact CB-CB 4.37Å; C114-R119 PolarHBondContact N-O 3.12Å; C114-I126 HydrophobicContact CB-CD1 3.75Å; C114-I126 HydrophobicContact CB-CG1 4.44Å; C114-H129 PolarHBondContact SG-NE2 2.79Å; C114-H129 VanDerWaalsContact SG-NE2 3.42Å |
| 115 | R | 96.7 | Very high | 95.5 | Very high | 147 Ų | 147 | 78.7 Ų | 78.7 | 56% | 0.555 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -25.7 | 178.5 | -168.5 | 175.1 | -68.6 | -152.7 | 0.8 | 113.2 | F78 M113 | F78-R115 WeakPolarHBondContact O-CB 3.41Å; F78-R115 PolarHBondContact O-N 2.74Å; M113-R115 PolarHBondContact O-N 2.89Å |
| 116 | K | 95.6 | Very high | 95.6 | Very high | 112 Ų | 112 | 75.1 Ų | 75.1 | 49% | 0.487 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -34.9 | -178.2 | -69.6 | 171.8 | 175 | 179.1 | 0 | 114.2 | C114 Y130 C133 | C114-K116 PolarHBondContact O-N 3.06Å; K116-Y130 HydrophobicContact CD-CD2 4.11Å; K116-Y130 HydrophobicContact CD-CE2 3.63Å; K116-Y130 HydrophobicContact CG-CD2 4.48Å; K116-Y130 HydrophobicContact CG-CE2 3.8Å; K116-Y130 PolarHBondContact NZ-O 3.12Å; K116-C133 HydrophobicContact CB-CB 4.43Å; K116-C133 WeakPolarHBondContact CB-SG 3.22Å; K116-C133 HydrophobicContact CD-CB 3.92Å; K116-C133 WeakPolarHBondContact CD-O 3.42Å; K116-C133 PolarHBondContact NZ-O 2.84Å |
| 117 | C | 96.1 | Very high | 95.8 | Very high | 64 Ų | 64 | 75.5 Ų | 75.5 | 43% | 0.432 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -141.8 | 11 | -173.2 | 80.5 | 0 | 0 | 0 | 0 | 114.3 | C114 R119 H129 | C114-C117 PolarHBondContact O-N 2.96Å; C117-R119 PolarHBondContact O-N 2.88Å; C117-R119 VanDerWaalsContact SG-CB 3.54Å; C117-H129 VanDerWaalsContact SG-CE1 3.51Å; C117-H129 PolarHBondContact SG-NE2 3.01Å |
| 118 | Q | 96.6 | Very high | 96 | Very high | 146 Ų | 146 | 78.1 Ų | 78.1 | 68% | 0.682 | 39% | 0.394 | S | S | * | . | trans | 57.7 | 13.3 | 178.4 | -55.8 | 178.6 | 6.9 | 0 | 0 | 115.8 | M113 C114 T120 | M113-Q118 HydrophobicContact CG-CB 4.33Å; M113-Q118 HydrophobicContact SD-CB 4.02Å; M113-Q118 HydrophobicContact SD-CG 4.47Å; C114-Q118 WeakPolarHBondContact O-CA 3.28Å; C114-Q118 PolarHBondContact O-N 2.77Å; Q118-T120 PolarHBondContact O-N 3.37Å | ||
| 119 | R | 97 | Very high | 96.2 | Very high | 162 Ų | 162 | 70 Ų | 70 | 61% | 0.611 | 37% | 0.365 | S | S | * | . | trans | -65.3 | 133.8 | 174.9 | -173.5 | 175.5 | -174.4 | 125.6 | 1.5 | 109.8 | M113 C114 C117 I126 | M113-R119 CarbonylContact C-O 3.56Å; M113-R119 WeakPolarHBondContact CA-O 3.42Å; C114-R119 HydrophobicContact CB-CB 4.37Å; C114-R119 PolarHBondContact N-O 3.12Å; C117-R119 PolarHBondContact O-N 2.88Å; C117-R119 VanDerWaalsContact SG-CB 3.54Å; R119-I126 WeakPolarHBondContact O-CD1 3.23Å | ||
| 120 | T | 97.3 | Very high | 96.4 | Very high | 82 Ų | 82 | 64.8 Ų | 64.8 | 50% | 0.503 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 153.7 | 176.4 | 56.3 | 0 | 0 | 0 | 0 | 112 | P75 F112 M113 Q118 | P75-T120 HydrophobicContact CB-CG2 4.21Å; P75-T120 HydrophobicContact CG-CG2 4.26Å; F112-T120 CarbonylContact O-C 3.46Å; F112-T120 WeakPolarHBondContact O-CA 3.43Å; M113-T120 HydrophobicContact CB-CG2 4.09Å; M113-T120 HydrophobicContact CG-CG2 4.21Å; M113-T120 HydrophobicContact SD-CG2 4.41Å; Q118-T120 PolarHBondContact O-N 3.37Å |
| 121 | G | 96.5 | Very high | 96.5 | Very high | 22 Ų | 22 | 66.7 Ų | 66.7 | 23% | 0.227 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.6 | 179.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | F112 | F112-G121 PolarHBondContact N-O 2.69Å; F112-G121 PolarHBondContact O-N 2.78Å |
| 122 | S | 95.5 | Very high | 96.5 | Very high | 70 Ų | 70 | 72.7 Ų | 72.7 | 49% | 0.49 | 37% | 0.373 | S | S | . | . | trans | -68.5 | 164.8 | 169.4 | 68.9 | 0 | 0 | 0 | 0 | 111.1 | M124 A125 I126 | S122-M124 PolarHBondContact O-N 3.12Å; S122-A125 PolarHBondContact O-N 3.21Å; S122-A125 VanDerWaalsContact O-N 3.13Å; S122-A125 WeakPolarHBondContact OG-CB 3.24Å; S122-A125 PolarHBondContact OG-N 3.31Å; S122-I126 WeakPolarHBondContact O-CB 3.34Å; S122-I126 PolarHBondContact O-N 2.85Å | ||
| 123 | T | 95.6 | Very high | 96.3 | Very high | 29 Ų | 29 | 73.3 Ų | 73.3 | 18% | 0.178 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -50.4 | -43.6 | 178.5 | -46.3 | 0 | 0 | 0 | 0 | 113.2 | P94 F112 I126 S127 | P94-T123 HydrophobicContact CB-CG2 3.63Å; P94-T123 HydrophobicContact CG-CG2 3.55Å; F112-T123 WeakPolarHBondContact CE2-OG1 3.33Å; T123-I126 WeakPolarHBondContact O-CG2 3.48Å; T123-S127 WeakPolarHBondContact O-CB 3.21Å; T123-S127 PolarHBondContact O-N 2.94Å; T123-S127 VanDerWaalsContact O-N 3.08Å |
| 124 | M | 96 | Very high | 95.9 | Very high | 136 Ų | 136 | 75.1 Ų | 75.1 | 67% | 0.67 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -73.2 | -44.2 | -179.6 | -65.2 | -59.7 | 159.7 | 0 | 0 | 111.7 | S122 I126 S127 V128 | S122-M124 PolarHBondContact O-N 3.12Å; M124-I126 VanDerWaalsContact C-N 3.35Å; M124-I126 PolarHBondContact O-N 3.2Å; M124-S127 PolarHBondContact O-N 3.13Å; M124-V128 WeakPolarHBondContact O-CG2 3.02Å; M124-V128 PolarHBondContact O-N 2.83Å; M124-V128 VanDerWaalsContact O-N 3.13Å |
| 125 | A | 97.1 | Very high | 95.3 | Very high | 54 Ų | 54 | 83.9 Ų | 83.9 | 45% | 0.446 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -62.1 | -44.4 | 179 | 0 | 0 | 0 | 0 | 0 | 111.3 | S122 H129 | S122-A125 PolarHBondContact O-N 3.21Å; S122-A125 VanDerWaalsContact O-N 3.13Å; S122-A125 WeakPolarHBondContact OG-CB 3.24Å; S122-A125 PolarHBondContact OG-N 3.31Å; A125-H129 WeakPolarHBondContact O-CB 3.41Å; A125-H129 PolarHBondContact O-N 3.34Å |
| 126 | I | 97.4 | Very high | 94 | Very high | 2 Ų | 2 | 82.4 Ų | 82.4 | 1% | 0.01 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -70.6 | -37.7 | -178.7 | -154.1 | 63 | 0 | 0 | 0 | 112.1 | F78 F112 C114 R119 S122 T123 M124 H129 Y130 | F78-I126 HydrophobicContact CB-CG1 4.09Å; F78-I126 HydrophobicContact CB-CG2 4.3Å; F78-I126 HydrophobicContact CD2-CG2 3.89Å; F78-I126 HydrophobicContact CE2-CG2 4.36Å; F78-I126 HydrophobicContact CG-CG1 4.34Å; F78-I126 HydrophobicContact CG-CG2 3.97Å; F112-I126 HydrophobicContact CB-CB 4.11Å; F112-I126 HydrophobicContact CB-CG1 4.19Å; F112-I126 HydrophobicContact CB-CG2 3.62Å; F112-I126 HydrophobicContact CG-CG2 4.23Å; C114-I126 HydrophobicContact CB-CD1 3.75Å; C114-I126 HydrophobicContact CB-CG1 4.44Å; R119-I126 WeakPolarHBondContact O-CD1 3.23Å; S122-I126 WeakPolarHBondContact O-CB 3.34Å; S122-I126 PolarHBondContact O-N 2.85Å; T123-I126 WeakPolarHBondContact O-CG2 3.48Å; M124-I126 VanDerWaalsContact C-N 3.35Å; M124-I126 PolarHBondContact O-N 3.2Å; I126-H129 PolarHBondContact O-N 3.36Å; I126-Y130 VanDerWaalsContact O-CB 3.28Å; I126-Y130 WeakPolarHBondContact O-CB 3.46Å; I126-Y130 PolarHBondContact O-N 3.05Å |
| 127 | S | 96.5 | Very high | 92.5 | Very high | 56 Ų | 56 | 87.1 Ų | 87.1 | 39% | 0.392 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.9 | -49.6 | 178.7 | 177.2 | 0 | 0 | 0 | 0 | 111 | T123 M124 H129 Y130 S131 | T123-S127 WeakPolarHBondContact O-CB 3.21Å; T123-S127 PolarHBondContact O-N 2.94Å; T123-S127 VanDerWaalsContact O-N 3.08Å; M124-S127 PolarHBondContact O-N 3.13Å; S127-H129 VanDerWaalsContact C-N 3.33Å; S127-H129 PolarHBondContact O-N 2.82Å; S127-Y130 PolarHBondContact O-N 2.89Å; S127-S131 PolarHBondContact O-N 3.34Å |
| 128 | V | 96.6 | Very high | 90.9 | Very high | 74 Ų | 74 | 88.6 Ų | 88.6 | 45% | 0.448 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.7 | -43.8 | 175.3 | 175.9 | 0 | 0 | 0 | 0 | 110.6 | M124 S131 | M124-V128 WeakPolarHBondContact O-CG2 3.02Å; M124-V128 PolarHBondContact O-N 2.83Å; M124-V128 VanDerWaalsContact O-N 3.13Å; V128-S131 PolarHBondContact O-OG 2.96Å |
| 129 | H | 96.4 | Very high | 89.2 | Confident | 41 Ų | 41 | 87.4 Ų | 87.4 | 19% | 0.19 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -60.7 | -49.4 | 177.3 | 167.9 | 75.2 | 0 | 0 | 0 | 111.9 | C114 C117 A125 I126 S127 S131 R132 C133 | C114-H129 PolarHBondContact SG-NE2 2.79Å; C114-H129 VanDerWaalsContact SG-NE2 3.42Å; C117-H129 VanDerWaalsContact SG-CE1 3.51Å; C117-H129 PolarHBondContact SG-NE2 3.01Å; A125-H129 WeakPolarHBondContact O-CB 3.41Å; A125-H129 PolarHBondContact O-N 3.34Å; I126-H129 PolarHBondContact O-N 3.36Å; S127-H129 VanDerWaalsContact C-N 3.33Å; S127-H129 PolarHBondContact O-N 2.82Å; H129-S131 VanDerWaalsContact C-N 3.25Å; H129-S131 PolarHBondContact O-N 3.24Å; H129-R132 CarbonylContact O-C 3.42Å; H129-R132 WeakPolarHBondContact O-CA 3.4Å; H129-R132 PolarHBondContact O-N 2.92Å; H129-C133 WeakPolarHBondContact NE2-CB 3.47Å; H129-C133 PolarHBondContact NE2-SG 3.32Å; H129-C133 WeakPolarHBondContact O-CB 3.2Å; H129-C133 PolarHBondContact O-N 3.36Å |
| 130 | Y | 96.8 | Very high | 87.5 | Confident | 63 Ų | 63 | 83.6 Ų | 83.6 | 25% | 0.247 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -58.4 | -37.1 | -175.2 | -175.3 | -98.2 | 0 | 0 | 0 | 112.7 | F78 P79 K116 I126 S127 R132 C133 | F78-Y130 HydrophobicContact CD1-CD1 4.13Å; F78-Y130 AromaticContact CD1-CD2 3.88Å; F78-Y130 HydrophobicContact CD1-CD2 3.88Å; F78-Y130 AromaticContact CD1-CG 3.59Å; F78-Y130 HydrophobicContact CD1-CG 3.59Å; F78-Y130 AromaticContact CE1-CD1 3.74Å; F78-Y130 HydrophobicContact CE1-CD1 3.74Å; F78-Y130 HydrophobicContact CE1-CD2 4.31Å; F78-Y130 AromaticContact CE1-CG 3.58Å; F78-Y130 HydrophobicContact CE1-CG 3.58Å; P79-Y130 VanDerWaalsContact CD-OH 3.29Å; P79-Y130 WeakPolarHBondContact CD-OH 3.37Å; P79-Y130 HydrophobicContact CG-CE1 4.03Å; P79-Y130 HydrophobicContact CG-CE2 4.23Å; P79-Y130 WeakPolarHBondContact CG-OH 3.19Å; K116-Y130 HydrophobicContact CD-CD2 4.11Å; K116-Y130 HydrophobicContact CD-CE2 3.63Å; K116-Y130 HydrophobicContact CG-CD2 4.48Å; K116-Y130 HydrophobicContact CG-CE2 3.8Å; K116-Y130 PolarHBondContact NZ-O 3.12Å; I126-Y130 VanDerWaalsContact O-CB 3.28Å; I126-Y130 WeakPolarHBondContact O-CB 3.46Å; I126-Y130 PolarHBondContact O-N 3.05Å; S127-Y130 PolarHBondContact O-N 2.89Å; Y130-R132 PolarHBondContact O-N 3.29Å; Y130-C133 PolarHBondContact O-N 3.01Å |
| 131 | S | 95.1 | Very high | 86.1 | Confident | 66 Ų | 66 | 83.7 Ų | 83.7 | 46% | 0.462 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63 | -25.6 | 175.1 | 75.7 | 0 | 0 | 0 | 0 | 113.8 | S127 V128 H129 R135 | S127-S131 PolarHBondContact O-N 3.34Å; V128-S131 PolarHBondContact O-OG 2.96Å; H129-S131 VanDerWaalsContact C-N 3.25Å; H129-S131 PolarHBondContact O-N 3.24Å; S131-R135 PolarHBondContact O-NE 3.05Å |
| 132 | R | 94.1 | Very high | 84.9 | Confident | 168 Ų | 168 | 89.8 Ų | 89.8 | 63% | 0.634 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -104.1 | -12.8 | 178.5 | -62.1 | 175.4 | 179.3 | 173.4 | -0.7 | 112.2 | H129 Y130 R135 | H129-R132 CarbonylContact O-C 3.42Å; H129-R132 WeakPolarHBondContact O-CA 3.4Å; H129-R132 PolarHBondContact O-N 2.92Å; Y130-R132 PolarHBondContact O-N 3.29Å; R132-R135 WeakPolarHBondContact O-CB 3.17Å; R132-R135 PolarHBondContact O-N 3.29Å |
| 133 | C | 94.7 | Very high | 84.3 | Confident | 12 Ų | 12 | 92.5 Ų | 92.5 | 8% | 0.081 | 50% | 0.497 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | 132.2 | -174.8 | -170.5 | 0 | 0 | 0 | 0 | 110.4 | K116 H129 Y130 R135 | K116-C133 HydrophobicContact CB-CB 4.43Å; K116-C133 WeakPolarHBondContact CB-SG 3.22Å; K116-C133 HydrophobicContact CD-CB 3.92Å; K116-C133 WeakPolarHBondContact CD-O 3.42Å; K116-C133 PolarHBondContact NZ-O 2.84Å; H129-C133 WeakPolarHBondContact NE2-CB 3.47Å; H129-C133 PolarHBondContact NE2-SG 3.32Å; H129-C133 WeakPolarHBondContact O-CB 3.2Å; H129-C133 PolarHBondContact O-N 3.36Å; Y130-C133 PolarHBondContact O-N 3.01Å; C133-R135 PolarHBondContact O-N 3.23Å |
| 134 | G | 88.9 | Confident | 83.9 | Confident | 71 Ų | 71 | 96 Ų | 96 | 73% | 0.732 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.1 | -9.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114 | T136 | G134-T136 VanDerWaalsContact C-N 3.34Å; G134-T136 PolarHBondContact O-N 2.96Å |
| 135 | R | 85.1 | Confident | 83.7 | Confident | 185 Ų | 185 | 91.6 Ų | 91.6 | 70% | 0.698 | 49% | 0.49 | S | S | * | . | trans | -66.4 | 108.2 | 157.4 | -59.1 | -174.1 | -168.7 | -165.1 | -1.9 | 104 | S131 R132 C133 R137 | S131-R135 PolarHBondContact O-NE 3.05Å; R132-R135 WeakPolarHBondContact O-CB 3.17Å; R132-R135 PolarHBondContact O-N 3.29Å; C133-R135 PolarHBondContact O-N 3.23Å; R135-R137 PolarHBondContact O-N 2.93Å | ||
| 136 | T | 70 | Confident | 83.5 | Confident | 116 Ų | 116 | 92.6 Ų | 92.6 | 71% | 0.712 | 49% | 0.492 | S | S | * | . | trans | -44.9 | 118.3 | 152.9 | 28.6 | 0 | 0 | 0 | 0 | 103.3 | G134 T138 | G134-T136 VanDerWaalsContact C-N 3.34Å; G134-T136 PolarHBondContact O-N 2.96Å; T136-T138 PolarHBondContact O-N 3.01Å | ||
| 137 | R | 62.7 | Low | 83.3 | Confident | 211 Ų | 211 | 93.1 Ų | 93.1 | 80% | 0.796 | 50% | 0.496 | S | S | * | . | trans | -55.2 | 101.8 | 152.8 | -83.9 | -177 | 167.9 | 175.1 | -4.7 | 100.3 | R135 N139 | R135-R137 PolarHBondContact O-N 2.93Å; R137-N139 PolarHBondContact O-N 3.43Å | ||
| 138 | T | 63.8 | Low | 82.9 | Confident | 94 Ų | 94 | 96.3 Ų | 96.3 | 58% | 0.577 | 51% | 0.508 | S | S | * | . | trans | -60.8 | 88.2 | 151.6 | 66.9 | 0 | 0 | 0 | 0 | 99.9 | T136 D140 | T136-T138 PolarHBondContact O-N 3.01Å; T138-D140 WeakPolarHBondContact CB-OD2 3.35Å; T138-D140 PolarHBondContact O-N 3.06Å; T138-D140 PolarHBondContact OG1-OD2 3.38Å | ||
| 139 | N | 60.3 | Low | 82.6 | Confident | 121 Ų | 121 | 93.2 Ų | 93.2 | 65% | 0.647 | 49% | 0.49 | S | S | * | . | trans | -66.8 | 60.5 | 153.7 | -75.6 | -25.8 | 0 | 0 | 0 | 102.6 | R137 S141 | R137-N139 PolarHBondContact O-N 3.43Å; N139-S141 PolarHBondContact O-N 2.99Å | ||
| 140 | D | 61.8 | Low | 82.3 | Confident | 82 Ų | 82 | 95.7 Ų | 95.7 | 44% | 0.439 | 51% | 0.51 | S | S | . | . | trans | -62 | 76.4 | 148.4 | -61.8 | -38.2 | 0 | 0 | 0 | 101.4 | T138 N142 N143 | T138-D140 WeakPolarHBondContact CB-OD2 3.35Å; T138-D140 PolarHBondContact O-N 3.06Å; T138-D140 PolarHBondContact OG1-OD2 3.38Å; D140-N142 PolarHBondContact O-N 2.83Å; D140-N143 HydrophobicContact CB-CB 3.58Å; D140-N143 WeakPolarHBondContact O-CA 3.45Å; D140-N143 WeakPolarHBondContact O-CB 3.28Å; D140-N143 PolarHBondContact O-N 3.36Å | ||
| 141 | S | 67.5 | Low | 82.1 | Confident | 85 Ų | 85 | 100.6 Ų | 100.6 | 59% | 0.594 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -16.2 | 162.1 | 46.8 | 0 | 0 | 0 | 0 | 109.3 | N139 K144 | N139-S141 PolarHBondContact O-N 2.99Å; S141-K144 VanDerWaalsContact O-CE 3.28Å; S141-K144 WeakPolarHBondContact O-CE 3.43Å; S141-K144 WeakPolarHBondContact O-CG 3.37Å |
| 142 | N | 71.7 | Confident | 82.1 | Confident | 150 Ų | 150 | 98.3 Ų | 98.3 | 80% | 0.802 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -25.2 | 167.3 | -69.7 | -15.9 | 0 | 0 | 0 | 114.8 | D140 K144 | D140-N142 PolarHBondContact O-N 2.83Å; N142-K144 PolarHBondContact O-N 3.17Å |
| 143 | N | 82.5 | Confident | 82.1 | Confident | 127 Ų | 127 | 95.7 Ų | 95.7 | 68% | 0.679 | 53% | 0.529 | S | S | * | . | trans | -82.8 | 54.8 | 178.3 | -142.6 | 1.1 | 0 | 0 | 0 | 110.8 | D140 | D140-N143 HydrophobicContact CB-CB 3.58Å; D140-N143 WeakPolarHBondContact O-CA 3.45Å; D140-N143 WeakPolarHBondContact O-CB 3.28Å; D140-N143 PolarHBondContact O-N 3.36Å | ||
| 144 | K | 88.1 | Confident | 82.1 | Confident | 102 Ų | 102 | 95.3 Ų | 95.3 | 44% | 0.443 | 53% | 0.527 | S | S | . | . | trans | -75.3 | 130.9 | 171 | -59.4 | 179.2 | -176.9 | 177.2 | 0 | 108 | S141 N142 P146 K155 F156 | S141-K144 VanDerWaalsContact O-CE 3.28Å; S141-K144 WeakPolarHBondContact O-CE 3.43Å; S141-K144 WeakPolarHBondContact O-CG 3.37Å; N142-K144 PolarHBondContact O-N 3.17Å; K144-P146 VanDerWaalsContact O-CD 3.29Å; K144-P146 WeakPolarHBondContact O-CD 3.46Å; K144-K155 HydrophobicContact CB-CB 3.78Å; K144-K155 HydrophobicContact CD-CB 3.93Å; K144-K155 HydrophobicContact CG-CB 4.48Å; K144-F156 CarbonylContact C-O 2.95Å; K144-F156 WeakPolarHBondContact CA-O 3.29Å | ||
| 145 | V | 90.5 | Very high | 82.4 | Confident | 43 Ų | 43 | 99 Ų | 99 | 26% | 0.261 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 115.2 | 174.2 | -174 | 0 | 0 | 0 | 0 | 108.2 | F156 M162 | V145-F156 PolarHBondContact N-O 3.02Å; V145-F156 PolarHBondContact O-N 2.72Å; V145-M162 HydrophobicContact CG1-CB 4.2Å; V145-M162 HydrophobicContact CG1-CE 3.58Å; V145-M162 HydrophobicContact CG1-CG 4.11Å |
| 146 | P | 93.1 | Very high | 82.8 | Confident | 76 Ų | 76 | 92.1 Ų | 92.1 | 49% | 0.494 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 154.3 | 176.5 | 30.2 | -34.3 | 0 | 0 | 0 | 110.6 | K144 | K144-P146 VanDerWaalsContact O-CD 3.29Å; K144-P146 WeakPolarHBondContact O-CD 3.46Å |
| 147 | C | 93.9 | Very high | 83.9 | Confident | 13 Ų | 13 | 95.5 Ų | 95.5 | 9% | 0.088 | 51% | 0.506 | C | S | . | . | trans | -66.2 | 140.8 | 169.4 | -163.8 | 0 | 0 | 0 | 0 | 109.8 | C152 G154 | C147-C152 HydrophobicContact CB-CB 3.81Å; C147-C152 VanDerWaalsContact CB-SG 3.58Å; C147-G154 WeakPolarHBondContact CB-O 3.21Å; C147-G154 PolarHBondContact N-O 2.8Å | ||
| 148 | L | 88.3 | Confident | 85.2 | Confident | 122 Ų | 122 | 88.2 Ų | 88.2 | 64% | 0.639 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -85.3 | -10.4 | -179 | -62.9 | 176.2 | 0 | 0 | 0 | 113.3 | M162 | L148-M162 HydrophobicContact CD1-CE 4.35Å; L148-M162 HydrophobicContact CD1-SD 4.42Å; L148-M162 HydrophobicContact CG-CE 4.48Å; L148-M162 HydrophobicContact CG-SD 4.33Å |
| 149 | A | 90.1 | Very high | 86.5 | Confident | 9 Ų | 9 | 87.5 Ų | 87.5 | 7% | 0.074 | 48% | 0.48 | C | S | . | . | S | Bend | trans | -72.4 | 137.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | D151 C152 H170 | A149-D151 PolarHBondContact O-N 3.41Å; A149-C152 HydrophobicContact CB-CB 3.99Å; A149-C152 PolarHBondContact O-N 3.37Å; A149-H170 HydrophobicContact CB-CB 3.95Å; A149-H170 VanDerWaalsContact CB-CG 3.41Å |
| 150 | P | 90 | Very high | 88.1 | Confident | 94 Ų | 94 | 85.1 Ų | 85.1 | 61% | 0.61 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | 138.2 | 172.5 | 25.2 | -31.8 | 0 | 0 | 0 | 108.9 | C152 | P150-C152 PolarHBondContact O-N 2.99Å; P150-C152 VanDerWaalsContact O-N 3.13Å |
| 151 | D | 91.6 | Very high | 89.7 | Confident | 166 Ų | 166 | 82.2 Ų | 82.2 | 89% | 0.888 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.4 | 14.9 | 176.4 | -45.3 | -48.2 | 0 | 0 | 0 | 116.2 | A149 P153 | A149-D151 PolarHBondContact O-N 3.41Å; D151-P153 VanDerWaalsContact O-CD 3.25Å; D151-P153 WeakPolarHBondContact O-CD 3.29Å |
| 152 | C | 95.4 | Very high | 91 | Very high | 18 Ų | 18 | 78.8 Ų | 78.8 | 12% | 0.122 | 44% | 0.441 | C | S | . | . | trans | -93.8 | 109.1 | 173.1 | -173.7 | 0 | 0 | 0 | 0 | 111.6 | C147 A149 P150 G154 R165 H170 | C147-C152 HydrophobicContact CB-CB 3.81Å; C147-C152 VanDerWaalsContact CB-SG 3.58Å; A149-C152 HydrophobicContact CB-CB 3.99Å; A149-C152 PolarHBondContact O-N 3.37Å; P150-C152 PolarHBondContact O-N 2.99Å; P150-C152 VanDerWaalsContact O-N 3.13Å; C152-G154 PolarHBondContact O-N 2.92Å; C152-R165 PolarHBondContact SG-NE 3.34Å; C152-H170 PolarHBondContact SG-NE2 3.15Å | ||
| 153 | P | 94.5 | Very high | 92.1 | Very high | 112 Ų | 112 | 78.4 Ų | 78.4 | 73% | 0.727 | 43% | 0.428 | S | S | * | . | trans | -74.2 | 2.2 | -179.1 | 31.1 | -36.9 | 0 | 0 | 0 | 113.6 | D151 K155 | D151-P153 VanDerWaalsContact O-CD 3.25Å; D151-P153 WeakPolarHBondContact O-CD 3.29Å; P153-K155 PolarHBondContact O-N 3.28Å | ||
| 154 | G | 94.9 | Very high | 92.8 | Very high | 5 Ų | 5 | 77.3 Ų | 77.3 | 5% | 0.052 | 42% | 0.422 | C | S | . | . | trans | -63 | 126.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | C147 C152 | C147-G154 WeakPolarHBondContact CB-O 3.21Å; C147-G154 PolarHBondContact N-O 2.8Å; C152-G154 PolarHBondContact O-N 2.92Å | ||
| 155 | K | 95.1 | Very high | 93.2 | Very high | 147 Ų | 147 | 76.5 Ų | 76.5 | 64% | 0.639 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 137.3 | 173.8 | -63.7 | -178 | -176.1 | 179.8 | 0 | 109.7 | K144 P153 | K144-K155 HydrophobicContact CB-CB 3.78Å; K144-K155 HydrophobicContact CD-CB 3.93Å; K144-K155 HydrophobicContact CG-CB 4.48Å; P153-K155 PolarHBondContact O-N 3.28Å |
| 156 | F | 93.5 | Very high | 93.4 | Very high | 41 Ų | 41 | 75 Ų | 75 | 18% | 0.18 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 144.4 | -170.7 | -66.3 | -85.3 | 0 | 0 | 0 | 113.2 | K144 V145 S158 G161 M162 R165 | K144-F156 CarbonylContact C-O 2.95Å; K144-F156 WeakPolarHBondContact CA-O 3.29Å; V145-F156 PolarHBondContact N-O 3.02Å; V145-F156 PolarHBondContact O-N 2.72Å; F156-S158 WeakPolarHBondContact CB-O 3.39Å; F156-S158 PolarHBondContact O-N 3.22Å; F156-G161 VanDerWaalsContact CD1-C 3.47Å; F156-M162 HydrophobicContact CB-CB 4.01Å; F156-M162 VanDerWaalsContact CD2-CA 3.43Å; F156-M162 HydrophobicContact CD2-CB 3.53Å; F156-M162 HydrophobicContact CD2-CG 4.03Å; F156-M162 HydrophobicContact CE2-CB 4.25Å; F156-M162 HydrophobicContact CG-CB 3.84Å; F156-R165 HydrophobicContact CE1-CB 4.17Å; F156-R165 HydrophobicContact CE2-CB 3.99Å; F156-R165 HydrophobicContact CE2-CG 4.42Å; F156-R165 HydrophobicContact CZ-CB 3.4Å; F156-R165 VanDerWaalsContact CZ-CB 3.4Å; F156-R165 HydrophobicContact CZ-CG 3.96Å |
| 157 | Q | 91.6 | Very high | 93.5 | Very high | 187 Ų | 187 | 78.6 Ų | 78.6 | 87% | 0.874 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -71.5 | -17.3 | 171.8 | -64.3 | -178.7 | -3 | 0 | 0 | 113.1 | ||
| 158 | S | 91.3 | Very high | 93.6 | Very high | 58 Ų | 58 | 82 Ų | 82 | 41% | 0.406 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -140.3 | 149.1 | 179.4 | 74.5 | 0 | 0 | 0 | 0 | 112.1 | F156 A160 G161 M162 | F156-S158 WeakPolarHBondContact CB-O 3.39Å; F156-S158 PolarHBondContact O-N 3.22Å; S158-A160 PolarHBondContact O-N 3.34Å; S158-G161 PolarHBondContact O-N 3.13Å; S158-G161 PolarHBondContact OG-N 3.42Å; S158-G161 VanDerWaalsContact OG-N 3.12Å; S158-M162 PolarHBondContact O-N 3.31Å; S158-M162 VanDerWaalsContact O-N 3.12Å |
| 159 | L | 91.3 | Very high | 94.1 | Very high | 80 Ų | 80 | 82.3 Ų | 82.3 | 42% | 0.419 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -63.4 | -27.6 | 173.9 | -170.9 | 139.3 | 0 | 0 | 0 | 112.1 | M162 R163 | L159-M162 HydrophobicContact CD1-CE 4.38Å; L159-M162 HydrophobicContact CG-CE 4Å; L159-R163 HydrophobicContact CD2-CG 4.19Å; L159-R163 VanDerWaalsContact CD2-NE 3.25Å; L159-R163 WeakPolarHBondContact O-CB 3.39Å; L159-R163 VanDerWaalsContact O-CG 3.29Å; L159-R163 WeakPolarHBondContact O-CG 3.43Å; L159-R163 PolarHBondContact O-N 3.16Å |
| 160 | A | 93.6 | Very high | 94.3 | Very high | 71 Ų | 71 | 83.4 Ų | 83.4 | 59% | 0.587 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -65.9 | -45.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | S158 R163 L164 | S158-A160 PolarHBondContact O-N 3.34Å; A160-R163 PolarHBondContact O-N 3.23Å; A160-L164 WeakPolarHBondContact O-CB 3.42Å; A160-L164 PolarHBondContact O-N 3.44Å |
| 161 | G | 94.9 | Very high | 94.5 | Very high | 21 Ų | 21 | 82.3 Ų | 82.3 | 22% | 0.216 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -63.3 | -41.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F156 S158 L164 R165 | F156-G161 VanDerWaalsContact CD1-C 3.47Å; S158-G161 PolarHBondContact O-N 3.13Å; S158-G161 PolarHBondContact OG-N 3.42Å; S158-G161 VanDerWaalsContact OG-N 3.12Å; G161-L164 WeakPolarHBondContact O-CB 3.5Å; G161-L164 PolarHBondContact O-N 3.12Å; G161-R165 PolarHBondContact O-N 3.49Å |
| 162 | M | 95.4 | Very high | 94.7 | Very high | 12 Ų | 12 | 79.7 Ų | 79.7 | 6% | 0.059 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -61.4 | -47.3 | 174.5 | 177.9 | -87.5 | -74.3 | 0 | 0 | 111.9 | V145 L148 F156 S158 L159 L164 R165 A166 | V145-M162 HydrophobicContact CG1-CB 4.2Å; V145-M162 HydrophobicContact CG1-CE 3.58Å; V145-M162 HydrophobicContact CG1-CG 4.11Å; L148-M162 HydrophobicContact CD1-CE 4.35Å; L148-M162 HydrophobicContact CD1-SD 4.42Å; L148-M162 HydrophobicContact CG-CE 4.48Å; L148-M162 HydrophobicContact CG-SD 4.33Å; F156-M162 HydrophobicContact CB-CB 4.01Å; F156-M162 VanDerWaalsContact CD2-CA 3.43Å; F156-M162 HydrophobicContact CD2-CB 3.53Å; F156-M162 HydrophobicContact CD2-CG 4.03Å; F156-M162 HydrophobicContact CE2-CB 4.25Å; F156-M162 HydrophobicContact CG-CB 3.84Å; S158-M162 PolarHBondContact O-N 3.31Å; S158-M162 VanDerWaalsContact O-N 3.12Å; L159-M162 HydrophobicContact CD1-CE 4.38Å; L159-M162 HydrophobicContact CG-CE 4Å; M162-L164 VanDerWaalsContact C-N 3.26Å; M162-L164 PolarHBondContact O-N 2.82Å; M162-R165 PolarHBondContact O-N 3.39Å; M162-A166 WeakPolarHBondContact O-CB 3.47Å; M162-A166 PolarHBondContact O-N 3.37Å |
| 163 | R | 94.8 | Very high | 94.6 | Very high | 142 Ų | 142 | 82.4 Ų | 82.4 | 54% | 0.536 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -60.9 | -35.5 | 175.6 | -77.9 | 179.8 | 174 | 163.2 | 2.6 | 112.4 | L159 A160 R167 F174 | L159-R163 HydrophobicContact CD2-CG 4.19Å; L159-R163 VanDerWaalsContact CD2-NE 3.25Å; L159-R163 WeakPolarHBondContact O-CB 3.39Å; L159-R163 VanDerWaalsContact O-CG 3.29Å; L159-R163 WeakPolarHBondContact O-CG 3.43Å; L159-R163 PolarHBondContact O-N 3.16Å; A160-R163 PolarHBondContact O-N 3.23Å; R163-R167 WeakPolarHBondContact O-CB 3.38Å; R163-R167 PolarHBondContact O-N 3.03Å; R163-F174 HydrophobicContact CB-CE2 4.34Å; R163-F174 HydrophobicContact CG-CE2 4.46Å |
| 164 | L | 96.2 | Very high | 94.6 | Very high | 104 Ų | 104 | 78.5 Ų | 78.5 | 55% | 0.545 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -66.4 | -48.4 | 177 | -177 | 62.7 | 0 | 0 | 0 | 111 | A160 G161 M162 A166 R167 T168 | A160-L164 WeakPolarHBondContact O-CB 3.42Å; A160-L164 PolarHBondContact O-N 3.44Å; G161-L164 WeakPolarHBondContact O-CB 3.5Å; G161-L164 PolarHBondContact O-N 3.12Å; M162-L164 VanDerWaalsContact C-N 3.26Å; M162-L164 PolarHBondContact O-N 2.82Å; L164-A166 PolarHBondContact O-N 2.98Å; L164-R167 PolarHBondContact O-N 3.21Å; L164-T168 HydrophobicContact CD1-CG2 4.36Å; L164-T168 PolarHBondContact O-N 3.08Å; L164-T168 PolarHBondContact O-OG1 3.02Å; L164-T168 VanDerWaalsContact O-OG1 3.12Å |
| 165 | R | 96.5 | Very high | 94.4 | Very high | 86 Ų | 86 | 82.9 Ų | 82.9 | 33% | 0.325 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.5 | -43.7 | 174.8 | 177.6 | 166.4 | -178 | 162.9 | -2.5 | 111.9 | C152 F156 G161 M162 R167 T168 Q169 | C152-R165 PolarHBondContact SG-NE 3.34Å; F156-R165 HydrophobicContact CE1-CB 4.17Å; F156-R165 HydrophobicContact CE2-CB 3.99Å; F156-R165 HydrophobicContact CE2-CG 4.42Å; F156-R165 HydrophobicContact CZ-CB 3.4Å; F156-R165 VanDerWaalsContact CZ-CB 3.4Å; F156-R165 HydrophobicContact CZ-CG 3.96Å; G161-R165 PolarHBondContact O-N 3.49Å; M162-R165 PolarHBondContact O-N 3.39Å; R165-R167 VanDerWaalsContact C-N 3.26Å; R165-R167 PolarHBondContact O-N 2.96Å; R165-T168 PolarHBondContact O-N 3Å; R165-T168 PolarHBondContact O-OG1 3.19Å; R165-Q169 HydrophobicContact CG-CB 4.11Å; R165-Q169 HydrophobicContact CG-CG 3.9Å; R165-Q169 WeakPolarHBondContact O-CB 3.41Å; R165-Q169 PolarHBondContact O-N 2.83Å |
| 166 | A | 95.1 | Very high | 94.2 | Very high | 10 Ų | 10 | 79.9 Ų | 79.9 | 8% | 0.083 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -57.3 | -44.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | M162 L164 T168 H170 F174 | M162-A166 WeakPolarHBondContact O-CB 3.47Å; M162-A166 PolarHBondContact O-N 3.37Å; L164-A166 PolarHBondContact O-N 2.98Å; A166-T168 PolarHBondContact O-N 3.31Å; A166-H170 CarbonylContact O-C 3.49Å; A166-H170 VanDerWaalsContact O-CA 3.22Å; A166-H170 WeakPolarHBondContact O-CA 3.5Å; A166-H170 WeakPolarHBondContact O-CB 3.43Å; A166-H170 PolarHBondContact O-N 3.34Å; A166-F174 HydrophobicContact CB-CB 4.22Å; A166-F174 HydrophobicContact CB-CD2 3.57Å; A166-F174 HydrophobicContact CB-CE2 4.39Å; A166-F174 HydrophobicContact CB-CG 4.26Å; A166-F174 WeakPolarHBondContact O-CB 3.45Å |
| 167 | R | 95.5 | Very high | 93.9 | Very high | 152 Ų | 152 | 81.8 Ų | 81.8 | 57% | 0.574 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -63.8 | -38.7 | 177.5 | -172.4 | -177.7 | -60.3 | 177.3 | 0.3 | 113.9 | R163 L164 R165 F174 | R163-R167 WeakPolarHBondContact O-CB 3.38Å; R163-R167 PolarHBondContact O-N 3.03Å; L164-R167 PolarHBondContact O-N 3.21Å; R165-R167 VanDerWaalsContact C-N 3.26Å; R165-R167 PolarHBondContact O-N 2.96Å; R167-F174 HydrophobicContact CB-CD1 4.01Å; R167-F174 HydrophobicContact CB-CE1 4.03Å; R167-F174 HydrophobicContact CB-CG 4.26Å; R167-F174 HydrophobicContact CB-CZ 4.29Å; R167-F174 HydrophobicContact CG-CD1 4.15Å; R167-F174 HydrophobicContact CG-CE1 4.07Å |
| 168 | T | 96.8 | Very high | 93.7 | Very high | 85 Ų | 85 | 80 Ų | 80 | 52% | 0.521 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -89.3 | -38.4 | -173.3 | 54.6 | 0 | 0 | 0 | 0 | 113.7 | L164 R165 A166 | L164-T168 HydrophobicContact CD1-CG2 4.36Å; L164-T168 PolarHBondContact O-N 3.08Å; L164-T168 PolarHBondContact O-OG1 3.02Å; L164-T168 VanDerWaalsContact O-OG1 3.12Å; R165-T168 PolarHBondContact O-N 3Å; R165-T168 PolarHBondContact O-OG1 3.19Å; A166-T168 PolarHBondContact O-N 3.31Å |
| 169 | Q | 97.1 | Very high | 93.3 | Very high | 128 Ų | 128 | 82.6 Ų | 82.6 | 60% | 0.598 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -100.8 | -22.2 | -175 | -58.8 | -60.8 | -40.3 | 0 | 0 | 113 | R165 P171 | R165-Q169 HydrophobicContact CG-CB 4.11Å; R165-Q169 HydrophobicContact CG-CG 3.9Å; R165-Q169 WeakPolarHBondContact O-CB 3.41Å; R165-Q169 PolarHBondContact O-N 2.83Å; Q169-P171 VanDerWaalsContact C-CD 3.43Å |
| 170 | H | 95.1 | Very high | 92.9 | Very high | 33 Ų | 33 | 83 Ų | 83 | 15% | 0.153 | 46% | 0.458 | C | S | . | . | trans | -132.1 | 53.1 | -175.6 | -51.5 | -61.7 | 0 | 0 | 0 | 110.8 | A149 C152 A166 V172 E173 F174 | A149-H170 HydrophobicContact CB-CB 3.95Å; A149-H170 VanDerWaalsContact CB-CG 3.41Å; C152-H170 PolarHBondContact SG-NE2 3.15Å; A166-H170 CarbonylContact O-C 3.49Å; A166-H170 VanDerWaalsContact O-CA 3.22Å; A166-H170 WeakPolarHBondContact O-CA 3.5Å; A166-H170 WeakPolarHBondContact O-CB 3.43Å; A166-H170 PolarHBondContact O-N 3.34Å; H170-V172 PolarHBondContact O-N 3.07Å; H170-E173 VanDerWaalsContact C-OE2 3.25Å; H170-E173 VanDerWaalsContact CA-OE2 3.25Å; H170-E173 WeakPolarHBondContact CA-OE2 3.43Å; H170-E173 HydrophobicContact CB-CB 4.24Å; H170-E173 VanDerWaalsContact CB-OE2 3.28Å; H170-E173 WeakPolarHBondContact CB-OE2 3.48Å; H170-E173 PolarHBondContact O-N 3.46Å; H170-F174 WeakPolarHBondContact O-CB 3.24Å; H170-F174 PolarHBondContact O-N 3.41Å | ||
| 171 | P | 94.9 | Very high | 92.2 | Very high | 70 Ų | 70 | 85.5 Ų | 85.5 | 46% | 0.455 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60.3 | -32.8 | -170.6 | 24.7 | -34.2 | 0 | 0 | 0 | 112.3 | Q169 V175 | Q169-P171 VanDerWaalsContact C-CD 3.43Å; P171-V175 WeakPolarHBondContact O-CB 3.34Å; P171-V175 WeakPolarHBondContact O-CG2 3.35Å; P171-V175 PolarHBondContact O-N 3.23Å |
| 172 | V | 94.9 | Very high | 91.5 | Very high | 111 Ų | 111 | 94.4 Ų | 94.4 | 67% | 0.673 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -70.7 | -51.2 | -179.2 | -177.5 | 0 | 0 | 0 | 0 | 110.7 | H170 F174 V175 A176 | H170-V172 PolarHBondContact O-N 3.07Å; V172-F174 VanDerWaalsContact C-N 3.32Å; V172-F174 PolarHBondContact O-N 3.3Å; V172-V175 PolarHBondContact O-N 2.77Å; V172-A176 PolarHBondContact O-N 3.04Å; V172-A176 VanDerWaalsContact O-N 3.08Å |
| 173 | E | 93.6 | Very high | 90.7 | Very high | 76 Ų | 76 | 104.4 Ų | 104.4 | 36% | 0.355 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.4 | -38 | 178.5 | -58.5 | 77.4 | -173.2 | 0 | 0 | 111.1 | H170 A176 T177 | H170-E173 VanDerWaalsContact C-OE2 3.25Å; H170-E173 VanDerWaalsContact CA-OE2 3.25Å; H170-E173 WeakPolarHBondContact CA-OE2 3.43Å; H170-E173 HydrophobicContact CB-CB 4.24Å; H170-E173 VanDerWaalsContact CB-OE2 3.28Å; H170-E173 WeakPolarHBondContact CB-OE2 3.48Å; H170-E173 PolarHBondContact O-N 3.46Å; E173-A176 PolarHBondContact O-N 3.01Å; E173-T177 WeakPolarHBondContact O-CG2 3.47Å; E173-T177 PolarHBondContact O-N 2.97Å; E173-T177 PolarHBondContact O-OG1 3.14Å |
| 174 | F | 94.3 | Very high | 90 | Very high | 30 Ų | 30 | 101.9 Ų | 101.9 | 13% | 0.132 | 53% | 0.533 | C | S | . | . | H | α-helix | trans | -63.2 | -42.7 | 176.6 | -178.2 | -102.7 | 0 | 0 | 0 | 111.7 | R163 A166 R167 H170 V172 T177 R178 | R163-F174 HydrophobicContact CB-CE2 4.34Å; R163-F174 HydrophobicContact CG-CE2 4.46Å; A166-F174 HydrophobicContact CB-CB 4.22Å; A166-F174 HydrophobicContact CB-CD2 3.57Å; A166-F174 HydrophobicContact CB-CE2 4.39Å; A166-F174 HydrophobicContact CB-CG 4.26Å; A166-F174 WeakPolarHBondContact O-CB 3.45Å; R167-F174 HydrophobicContact CB-CD1 4.01Å; R167-F174 HydrophobicContact CB-CE1 4.03Å; R167-F174 HydrophobicContact CB-CG 4.26Å; R167-F174 HydrophobicContact CB-CZ 4.29Å; R167-F174 HydrophobicContact CG-CD1 4.15Å; R167-F174 HydrophobicContact CG-CE1 4.07Å; H170-F174 WeakPolarHBondContact O-CB 3.24Å; H170-F174 PolarHBondContact O-N 3.41Å; V172-F174 VanDerWaalsContact C-N 3.32Å; V172-F174 PolarHBondContact O-N 3.3Å; F174-T177 WeakPolarHBondContact CA-OG1 3.27Å; F174-T177 PolarHBondContact O-N 3.39Å; F174-T177 PolarHBondContact O-OG1 3.24Å; F174-T177 VanDerWaalsContact O-OG1 3.05Å; F174-R178 WeakPolarHBondContact O-CG 3.45Å; F174-R178 PolarHBondContact O-N 2.92Å |
| 175 | V | 91.6 | Very high | 89.3 | Confident | 96 Ų | 96 | 106.1 Ų | 106.1 | 58% | 0.582 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.4 | -41.7 | 176.3 | 170.2 | 0 | 0 | 0 | 0 | 111 | P171 V172 T177 R178 | P171-V175 WeakPolarHBondContact O-CB 3.34Å; P171-V175 WeakPolarHBondContact O-CG2 3.35Å; P171-V175 PolarHBondContact O-N 3.23Å; V172-V175 PolarHBondContact O-N 2.77Å; V175-T177 VanDerWaalsContact C-N 3.29Å; V175-T177 PolarHBondContact O-N 3.48Å; V175-R178 WeakPolarHBondContact O-CB 3.47Å; V175-R178 PolarHBondContact O-N 3.05Å |
| 176 | A | 91.1 | Very high | 88.7 | Confident | 84 Ų | 84 | 105.2 Ų | 105.2 | 69% | 0.694 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.5 | -32.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | V172 E173 | V172-A176 PolarHBondContact O-N 3.04Å; V172-A176 VanDerWaalsContact O-N 3.08Å; E173-A176 PolarHBondContact O-N 3.01Å |
| 177 | T | 87.1 | Confident | 88.3 | Confident | 82 Ų | 82 | 106.4 Ų | 106.4 | 50% | 0.503 | 55% | 0.551 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.9 | -5.9 | 178.9 | 51.5 | 0 | 0 | 0 | 0 | 114 | E173 F174 V175 | E173-T177 WeakPolarHBondContact O-CG2 3.47Å; E173-T177 PolarHBondContact O-N 2.97Å; E173-T177 PolarHBondContact O-OG1 3.14Å; F174-T177 WeakPolarHBondContact CA-OG1 3.27Å; F174-T177 PolarHBondContact O-N 3.39Å; F174-T177 PolarHBondContact O-OG1 3.24Å; F174-T177 VanDerWaalsContact O-OG1 3.05Å; V175-T177 VanDerWaalsContact C-N 3.29Å; V175-T177 PolarHBondContact O-N 3.48Å |
| 178 | R | 86.3 | Confident | 88 | Confident | 149 Ų | 149 | 108.1 Ų | 108.1 | 56% | 0.562 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -61.2 | 127.3 | 174.4 | -72.9 | 179.5 | 72.4 | 171.6 | -0 | 108.2 | F174 V175 A180 | F174-R178 WeakPolarHBondContact O-CG 3.45Å; F174-R178 PolarHBondContact O-N 2.92Å; V175-R178 WeakPolarHBondContact O-CB 3.47Å; V175-R178 PolarHBondContact O-N 3.05Å; R178-A180 PolarHBondContact O-N 3.42Å; R178-A180 VanDerWaalsContact O-N 3.13Å |
| 179 | P | 84.3 | Confident | 87.6 | Confident | 112 Ų | 112 | 109.9 Ų | 109.9 | 73% | 0.727 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 127.5 | 173.4 | 21.7 | -29.9 | 0 | 0 | 0 | 107.8 | L181 | P179-L181 PolarHBondContact O-N 3.31Š|
| 180 | A | 81.6 | Confident | 87.2 | Confident | 90 Ų | 90 | 106.7 Ų | 106.7 | 74% | 0.744 | 55% | 0.55 | S | S | * | * | P | Polyproline II helix | trans | -52 | 117 | 173.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | R178 K182 | R178-A180 PolarHBondContact O-N 3.42Å; R178-A180 VanDerWaalsContact O-N 3.13Å; A180-K182 PolarHBondContact O-N 3.31Å |
| 181 | L | 79.9 | Confident | 87 | Confident | 122 Ų | 122 | 111.1 Ų | 111.1 | 64% | 0.639 | 57% | 0.571 | S | S | * | * | trans | -60.7 | 104.3 | 178.9 | -68.6 | 174.6 | 0 | 0 | 0 | 106.5 | P179 R183 | P179-L181 PolarHBondContact O-N 3.31Å; L181-R183 PolarHBondContact O-N 2.92Å | ||
| 182 | K | 78.7 | Confident | 86.9 | Confident | 209 Ų | 209 | 115.4 Ų | 115.4 | 91% | 0.909 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -54.7 | -24.4 | -176.6 | -75.8 | -173.6 | 175.7 | -176.2 | 0 | 112.4 | A180 | A180-K182 PolarHBondContact O-N 3.31Š|
| 183 | R | 79.6 | Confident | 86.6 | Confident | 222 Ų | 222 | 110.6 Ų | 110.6 | 84% | 0.838 | 55% | 0.55 | S | S | * | . | S | Bend | trans | -140.4 | 104.8 | 171.3 | -54.7 | -178.2 | 88.6 | 161.4 | 4.3 | 106.4 | L181 R185 | L181-R183 PolarHBondContact O-N 2.92Å; R183-R185 PolarHBondContact O-N 2.91Å |
| 184 | P | 79.2 | Confident | 86.2 | Confident | 89 Ų | 89 | 109 Ų | 109 | 58% | 0.578 | 54% | 0.543 | S | S | * | . | trans | -52.9 | 137.5 | 167 | 23.2 | -30.4 | 0 | 0 | 0 | 107.3 | W186 | P184-W186 WeakPolarHBondContact CB-O 3.25Å; P184-W186 PolarHBondContact O-N 2.93Å | ||
| 185 | R | 82.5 | Confident | 86 | Confident | 192 Ų | 192 | 110.1 Ų | 110.1 | 73% | 0.725 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -55.7 | -27.7 | -176.4 | 177.1 | -178.3 | -178.5 | -171.8 | 7.3 | 111.7 | R183 | R183-R185 PolarHBondContact O-N 2.91Š|
| 186 | W | 83 | Confident | 86 | Confident | 68 Ų | 68 | 109.6 Ų | 109.6 | 26% | 0.258 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -120 | 136.4 | -179.6 | -58.3 | 81.9 | 0 | 0 | 0 | 108.7 | P184 E190 L194 I215 | P184-W186 WeakPolarHBondContact CB-O 3.25Å; P184-W186 PolarHBondContact O-N 2.93Å; W186-E190 VanDerWaalsContact CA-OE2 3.24Å; W186-E190 WeakPolarHBondContact CA-OE2 3.41Å; W186-E190 HydrophobicContact CB-CB 4.37Å; W186-E190 HydrophobicContact CE3-CB 3.59Å; W186-E190 HydrophobicContact CZ3-CB 4.3Å; W186-L194 HydrophobicContact CH2-CD1 4.27Å; W186-L194 HydrophobicContact CZ3-CD1 4.41Å; W186-I215 HydrophobicContact CH2-CD1 3.7Å; W186-I215 HydrophobicContact CZ3-CD1 3.46Å; W186-I215 VanDerWaalsContact CZ3-CD1 3.46Å; W186-I215 HydrophobicContact CZ3-CG2 4.33Å |
| 187 | G | 86.9 | Confident | 85.6 | Confident | 35 Ų | 35 | 107.7 Ų | 107.7 | 36% | 0.361 | 53% | 0.526 | S | S | . | . | trans | -68.6 | 162.7 | 163.9 | 0 | 0 | 0 | 0 | 0 | 111 | E189 E190 E191 | G187-E189 PolarHBondContact O-N 3.33Å; G187-E190 PolarHBondContact N-OE2 3.37Å; G187-E190 PolarHBondContact O-N 3.32Å; G187-E190 VanDerWaalsContact O-N 3.14Å; G187-E191 PolarHBondContact O-N 3.1Å | ||
| 188 | K | 89.5 | Confident | 85.5 | Confident | 188 Ų | 188 | 108.9 Ų | 108.9 | 82% | 0.817 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -57.1 | -35.4 | 176.3 | -71 | -173.9 | 178.4 | -176.6 | 0 | 112.6 | E191 Y192 | K188-E191 PolarHBondContact O-N 3.1Å; K188-Y192 PolarHBondContact O-N 3.14Å |
| 189 | E | 89 | Confident | 85.6 | Confident | 121 Ų | 121 | 104.2 Ų | 104.2 | 57% | 0.565 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.8 | -47 | 176.2 | -178.6 | -178.4 | -175.8 | 0 | 0 | 111.6 | G187 E191 Y192 L193 | G187-E189 PolarHBondContact O-N 3.33Å; E189-E191 VanDerWaalsContact C-N 3.27Å; E189-E191 PolarHBondContact O-N 3.15Å; E189-Y192 WeakPolarHBondContact O-CB 3.38Å; E189-Y192 PolarHBondContact O-N 3.5Å; E189-L193 HydrophobicContact CG-CD1 4.47Å; E189-L193 WeakPolarHBondContact O-CG 3.16Å; E189-L193 PolarHBondContact O-N 2.84Å |
| 190 | E | 88 | Confident | 85.6 | Confident | 61 Ų | 61 | 102.4 Ų | 102.4 | 29% | 0.285 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.8 | -31.5 | 179 | -49.9 | 175.3 | 114.6 | 0 | 0 | 111.5 | W186 G187 L194 L219 | W186-E190 VanDerWaalsContact CA-OE2 3.24Å; W186-E190 WeakPolarHBondContact CA-OE2 3.41Å; W186-E190 HydrophobicContact CB-CB 4.37Å; W186-E190 HydrophobicContact CE3-CB 3.59Å; W186-E190 HydrophobicContact CZ3-CB 4.3Å; G187-E190 PolarHBondContact N-OE2 3.37Å; G187-E190 PolarHBondContact O-N 3.32Å; G187-E190 VanDerWaalsContact O-N 3.14Å; E190-L194 VanDerWaalsContact O-CB 3.31Å; E190-L194 WeakPolarHBondContact O-CB 3.45Å; E190-L194 PolarHBondContact O-N 3.4Å; E190-L219 HydrophobicContact CG-CD1 4.38Å |
| 191 | E | 90.2 | Very high | 85.6 | Confident | 126 Ų | 126 | 99.4 Ų | 99.4 | 59% | 0.589 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -66 | -41.4 | 171.9 | -171.9 | 171.5 | -156.3 | 0 | 0 | 111.7 | G187 K188 E189 L194 A195 | G187-E191 PolarHBondContact O-N 3.1Å; K188-E191 PolarHBondContact O-N 3.1Å; E189-E191 VanDerWaalsContact C-N 3.27Å; E189-E191 PolarHBondContact O-N 3.15Å; E191-L194 PolarHBondContact O-N 3.19Å; E191-A195 PolarHBondContact O-N 3.5Å |
| 192 | Y | 93.2 | Very high | 85.7 | Confident | 161 Ų | 161 | 100.7 Ų | 100.7 | 63% | 0.631 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -63.4 | -44.7 | 173.3 | 179.9 | -97 | 0 | 0 | 0 | 112.1 | K188 E189 L194 A195 Q196 | K188-Y192 PolarHBondContact O-N 3.14Å; E189-Y192 WeakPolarHBondContact O-CB 3.38Å; E189-Y192 PolarHBondContact O-N 3.5Å; Y192-L194 VanDerWaalsContact C-N 3.34Å; Y192-L194 PolarHBondContact O-N 2.94Å; Y192-A195 PolarHBondContact O-N 2.85Å; Y192-Q196 WeakPolarHBondContact O-CB 3.28Å; Y192-Q196 PolarHBondContact O-N 3.33Å |
| 193 | L | 89.3 | Confident | 86 | Confident | 10 Ų | 10 | 95.5 Ų | 95.5 | 5% | 0.052 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -63.2 | -40.1 | 176.1 | -69.9 | 173.8 | 0 | 0 | 0 | 111.9 | E189 A195 Q196 E197 A218 L219 | E189-L193 HydrophobicContact CG-CD1 4.47Å; E189-L193 WeakPolarHBondContact O-CG 3.16Å; E189-L193 PolarHBondContact O-N 2.84Å; L193-A195 VanDerWaalsContact C-N 3.35Å; L193-Q196 PolarHBondContact O-N 2.91Å; L193-E197 WeakPolarHBondContact O-CB 3.22Å; L193-E197 WeakPolarHBondContact O-CG 3.5Å; L193-E197 PolarHBondContact O-N 3.25Å; L193-A218 HydrophobicContact CD1-CB 4.48Å; L193-A218 HydrophobicContact CD2-CB 4.39Å; L193-L219 HydrophobicContact CD1-CD2 3.56Å; L193-L219 HydrophobicContact CD1-CG 3.92Å |
| 194 | L | 85.8 | Confident | 86 | Confident | 42 Ų | 42 | 88.6 Ų | 88.6 | 22% | 0.22 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -61.5 | -44.7 | 175.2 | -167.5 | 75.6 | 0 | 0 | 0 | 110.9 | W186 E190 E191 Y192 E197 E198 I211 I215 | W186-L194 HydrophobicContact CH2-CD1 4.27Å; W186-L194 HydrophobicContact CZ3-CD1 4.41Å; E190-L194 VanDerWaalsContact O-CB 3.31Å; E190-L194 WeakPolarHBondContact O-CB 3.45Å; E190-L194 PolarHBondContact O-N 3.4Å; E191-L194 PolarHBondContact O-N 3.19Å; Y192-L194 VanDerWaalsContact C-N 3.34Å; Y192-L194 PolarHBondContact O-N 2.94Å; L194-E197 PolarHBondContact O-N 2.97Å; L194-E198 WeakPolarHBondContact O-CG 3.15Å; L194-E198 PolarHBondContact O-N 3.23Å; L194-I211 HydrophobicContact CD1-CG2 3.38Å; L194-I215 HydrophobicContact CB-CD1 4.26Å; L194-I215 HydrophobicContact CD1-CD1 3.27Å; L194-I215 HydrophobicContact CD1-CG1 4.45Å; L194-I215 HydrophobicContact CG-CD1 4.38Å |
| 195 | A | 90.3 | Very high | 85.8 | Confident | 53 Ų | 53 | 91.9 Ų | 91.9 | 44% | 0.438 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.9 | -37.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | E191 Y192 L193 E198 A199 | E191-A195 PolarHBondContact O-N 3.5Å; Y192-A195 PolarHBondContact O-N 2.85Å; L193-A195 VanDerWaalsContact C-N 3.35Å; A195-E198 PolarHBondContact O-N 3.3Å; A195-A199 WeakPolarHBondContact O-CB 3.31Å; A195-A199 PolarHBondContact O-N 2.99Å |
| 196 | Q | 90.3 | Very high | 85.3 | Confident | 85 Ų | 85 | 88.8 Ų | 88.8 | 40% | 0.397 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.3 | -44.3 | 175.3 | -173.3 | 177.5 | 12.8 | 0 | 0 | 111.6 | Y192 L193 A199 N200 | Y192-Q196 WeakPolarHBondContact O-CB 3.28Å; Y192-Q196 PolarHBondContact O-N 3.33Å; L193-Q196 PolarHBondContact O-N 2.91Å; Q196-A199 PolarHBondContact O-N 3.4Å; Q196-N200 WeakPolarHBondContact O-CB 3.35Å; Q196-N200 PolarHBondContact O-N 3.26Å; Q196-N200 PolarHBondContact O-ND2 3.12Å; Q196-N200 PolarHBondContact O-OD1 3.13Å |
| 197 | E | 84.1 | Confident | 84.6 | Confident | 45 Ų | 45 | 90.6 Ų | 90.6 | 21% | 0.21 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -64.2 | -39.6 | 175.5 | -75.2 | -66.5 | 137.1 | 0 | 0 | 111.9 | L193 L194 N200 A201 A214 | L193-E197 WeakPolarHBondContact O-CB 3.22Å; L193-E197 WeakPolarHBondContact O-CG 3.5Å; L193-E197 PolarHBondContact O-N 3.25Å; L194-E197 PolarHBondContact O-N 2.97Å; E197-N200 PolarHBondContact O-N 2.92Å; E197-A201 WeakPolarHBondContact O-CB 3.49Å; E197-A201 PolarHBondContact O-N 3.38Å; E197-A214 HydrophobicContact CG-CB 4.43Å; E197-A214 WeakPolarHBondContact OE2-CB 3.47Å |
| 198 | E | 83.7 | Confident | 83.4 | Confident | 107 Ų | 107 | 91.1 Ų | 91.1 | 50% | 0.5 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.9 | -43.1 | 173 | -76.1 | 179.7 | 178 | 0 | 0 | 111.6 | L194 A195 A201 L202 | L194-E198 WeakPolarHBondContact O-CG 3.15Å; L194-E198 PolarHBondContact O-N 3.23Å; A195-E198 PolarHBondContact O-N 3.3Å; E198-A201 PolarHBondContact O-N 3.19Å; E198-L202 WeakPolarHBondContact O-CG 3.21Å; E198-L202 PolarHBondContact O-N 2.97Å |
| 199 | A | 87.9 | Confident | 82.5 | Confident | 51 Ų | 51 | 89.6 Ų | 89.6 | 42% | 0.421 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.2 | -44.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | A195 Q196 A201 L202 S203 | A195-A199 WeakPolarHBondContact O-CB 3.31Å; A195-A199 PolarHBondContact O-N 2.99Å; Q196-A199 PolarHBondContact O-N 3.4Å; A199-A201 VanDerWaalsContact C-N 3.34Å; A199-A201 PolarHBondContact O-N 3.48Å; A199-L202 PolarHBondContact O-N 3.32Å; A199-S203 PolarHBondContact O-N 2.84Å; A199-S203 VanDerWaalsContact O-N 3.1Å; A199-S203 PolarHBondContact O-OG 3.11Å |
| 200 | N | 85.8 | Confident | 82.1 | Confident | 74 Ų | 74 | 87.6 Ų | 87.6 | 40% | 0.396 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.7 | -38.4 | 177.2 | -68.7 | -16.7 | 0 | 0 | 0 | 112.2 | Q196 E197 L202 S203 T204 | Q196-N200 WeakPolarHBondContact O-CB 3.35Å; Q196-N200 PolarHBondContact O-N 3.26Å; Q196-N200 PolarHBondContact O-ND2 3.12Å; Q196-N200 PolarHBondContact O-OD1 3.13Å; E197-N200 PolarHBondContact O-N 2.92Å; N200-L202 VanDerWaalsContact C-N 3.3Å; N200-L202 PolarHBondContact O-N 2.91Å; N200-S203 PolarHBondContact O-N 3.41Å; N200-T204 PolarHBondContact O-N 3.27Å; N200-T204 PolarHBondContact O-OG1 3.25Å |
| 201 | A | 81.1 | Confident | 81.6 | Confident | 27 Ų | 27 | 87.9 Ų | 87.9 | 22% | 0.223 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -69.8 | -23.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | E197 E198 A199 P208 | E197-A201 WeakPolarHBondContact O-CB 3.49Å; E197-A201 PolarHBondContact O-N 3.38Å; E198-A201 PolarHBondContact O-N 3.19Å; A199-A201 VanDerWaalsContact C-N 3.34Å; A199-A201 PolarHBondContact O-N 3.48Å; A201-P208 HydrophobicContact CB-CG 3.91Å |
| 202 | L | 82 | Confident | 81 | Confident | 148 Ų | 148 | 87.2 Ų | 87.2 | 78% | 0.775 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -80.6 | -31.9 | 171 | -69.1 | 172.7 | 0 | 0 | 0 | 111.7 | E198 A199 N200 | E198-L202 WeakPolarHBondContact O-CG 3.21Å; E198-L202 PolarHBondContact O-N 2.97Å; A199-L202 PolarHBondContact O-N 3.32Å; N200-L202 VanDerWaalsContact C-N 3.3Å; N200-L202 PolarHBondContact O-N 2.91Å |
| 203 | S | 84.6 | Confident | 80.4 | Confident | 101 Ų | 101 | 82.4 Ų | 82.4 | 71% | 0.706 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -75.6 | -37.2 | 177.2 | -60.3 | 0 | 0 | 0 | 0 | 113.1 | A199 N200 | A199-S203 PolarHBondContact O-N 2.84Å; A199-S203 VanDerWaalsContact O-N 3.1Å; A199-S203 PolarHBondContact O-OG 3.11Å; N200-S203 PolarHBondContact O-N 3.41Å |
| 204 | T | 79.2 | Confident | 79.9 | Confident | 76 Ų | 76 | 82.7 Ų | 82.7 | 47% | 0.466 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -93.4 | 120.3 | 174.3 | 58.9 | 0 | 0 | 0 | 0 | 107.4 | N200 N206 | N200-T204 PolarHBondContact O-N 3.27Å; N200-T204 PolarHBondContact O-OG1 3.25Å; T204-N206 PolarHBondContact O-N 3.47Å |
| 205 | N | 74.9 | Confident | 79.5 | Confident | 158 Ų | 158 | 81 Ų | 81 | 85% | 0.845 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -63.2 | 18.6 | 177 | -72.7 | -59.3 | 0 | 0 | 0 | 114 | ||
| 206 | N | 71.7 | Confident | 79.1 | Confident | 128 Ų | 128 | 86.4 Ų | 86.4 | 68% | 0.684 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -118.6 | 100.1 | 178 | -71.1 | -52.4 | 0 | 0 | 0 | 108.7 | T204 | T204-N206 PolarHBondContact O-N 3.47Š|
| 207 | P | 68.2 | Low | 78.8 | Confident | 105 Ų | 105 | 88.4 Ų | 88.4 | 68% | 0.682 | 49% | 0.485 | S | S | * | . | trans | -61.6 | 129 | 175.5 | 24.9 | -32.4 | 0 | 0 | 0 | 109.2 | T209 | P207-T209 PolarHBondContact O-N 3.29Å; P207-T209 VanDerWaalsContact O-N 3.13Å | ||
| 208 | P | 62.7 | Low | 78.5 | Confident | 47 Ų | 47 | 87.2 Ų | 87.2 | 31% | 0.305 | 48% | 0.482 | S | S | . | . | trans | -61.4 | 121.9 | 178.2 | 22.6 | -30.4 | 0 | 0 | 0 | 108.7 | A201 N210 I211 | A201-P208 HydrophobicContact CB-CG 3.91Å; P208-N210 PolarHBondContact O-N 3.28Å; P208-I211 HydrophobicContact CG-CG1 4.09Å | ||
| 209 | T | 70.8 | Confident | 78.3 | Confident | 155 Ų | 155 | 84.9 Ų | 84.9 | 95% | 0.951 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -13.4 | -177.8 | 36.9 | 0 | 0 | 0 | 0 | 112.9 | P207 | P207-T209 PolarHBondContact O-N 3.29Å; P207-T209 VanDerWaalsContact O-N 3.13Å |
| 210 | N | 79.7 | Confident | 78.2 | Confident | 79 Ų | 79 | 92.5 Ų | 92.5 | 42% | 0.422 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -155.7 | 85.5 | 177.8 | -166.8 | -16.4 | 0 | 0 | 0 | 113.1 | P208 K212 T213 A214 | P208-N210 PolarHBondContact O-N 3.28Å; N210-K212 PolarHBondContact O-N 3Å; N210-K212 VanDerWaalsContact O-N 3.15Å; N210-K212 PolarHBondContact OD1-N 3.29Å; N210-T213 HydrophobicContact CB-CG2 4.44Å; N210-T213 WeakPolarHBondContact CB-OG1 3.39Å; N210-T213 WeakPolarHBondContact ND2-CG2 3.49Å; N210-T213 PolarHBondContact O-N 3.28Å; N210-T213 PolarHBondContact O-OG1 3.01Å; N210-T213 PolarHBondContact OD1-N 3.06Å; N210-A214 PolarHBondContact O-N 2.87Å |
| 211 | I | 79 | Confident | 78.1 | Confident | 67 Ų | 67 | 93.7 Ų | 93.7 | 34% | 0.344 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -50.8 | -38.3 | 176.1 | -65.5 | 168.3 | 0 | 0 | 0 | 112.3 | L194 P208 T213 A214 I215 | L194-I211 HydrophobicContact CD1-CG2 3.38Å; P208-I211 HydrophobicContact CG-CG1 4.09Å; I211-T213 PolarHBondContact O-N 3.37Å; I211-A214 PolarHBondContact O-N 3.32Å; I211-I215 HydrophobicContact CG2-CD1 3.89Å; I211-I215 HydrophobicContact CG2-CG1 4.48Å; I211-I215 WeakPolarHBondContact O-CG1 3.25Å; I211-I215 PolarHBondContact O-N 3.45Å |
| 212 | K | 76.5 | Confident | 77.6 | Confident | 113 Ų | 113 | 96.7 Ų | 96.7 | 49% | 0.491 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66 | -35.7 | 179.9 | -75.5 | -178.7 | -176.7 | 167.2 | 0 | 113 | N210 R216 | N210-K212 PolarHBondContact O-N 3Å; N210-K212 VanDerWaalsContact O-N 3.15Å; N210-K212 PolarHBondContact OD1-N 3.29Å; K212-R216 WeakPolarHBondContact O-CG 3.38Å; K212-R216 PolarHBondContact O-N 3.46Å; K212-R216 VanDerWaalsContact O-N 3.17Å |
| 213 | T | 81.1 | Confident | 76.9 | Confident | 59 Ų | 59 | 91.4 Ų | 91.4 | 36% | 0.362 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -73.3 | -36.5 | 177 | 45.7 | 0 | 0 | 0 | 0 | 111.3 | N210 I211 R216 Q217 | N210-T213 HydrophobicContact CB-CG2 4.44Å; N210-T213 WeakPolarHBondContact CB-OG1 3.39Å; N210-T213 WeakPolarHBondContact ND2-CG2 3.49Å; N210-T213 PolarHBondContact O-N 3.28Å; N210-T213 PolarHBondContact O-OG1 3.01Å; N210-T213 PolarHBondContact OD1-N 3.06Å; I211-T213 PolarHBondContact O-N 3.37Å; T213-R216 PolarHBondContact O-N 3.37Å; T213-Q217 WeakPolarHBondContact O-CB 3.48Å; T213-Q217 WeakPolarHBondContact O-CG 3.42Å; T213-Q217 PolarHBondContact O-N 3.26Å |
| 214 | A | 78.9 | Confident | 75.7 | Confident | 17 Ų | 17 | 92.9 Ų | 92.9 | 14% | 0.14 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -59.8 | -47.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | E197 N210 I211 R216 Q217 A218 | E197-A214 HydrophobicContact CG-CB 4.43Å; E197-A214 WeakPolarHBondContact OE2-CB 3.47Å; N210-A214 PolarHBondContact O-N 2.87Å; I211-A214 PolarHBondContact O-N 3.32Å; A214-R216 PolarHBondContact O-N 2.95Å; A214-Q217 WeakPolarHBondContact O-CB 3.42Å; A214-Q217 PolarHBondContact O-N 3.15Å; A214-Q217 VanDerWaalsContact O-N 3.1Å; A214-A218 PolarHBondContact O-N 2.88Å |
| 215 | I | 77.6 | Confident | 74.7 | Confident | 6 Ų | 6 | 95.3 Ų | 95.3 | 3% | 0.031 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -62.1 | -43.1 | 176.9 | -63.1 | 165.5 | 0 | 0 | 0 | 111.9 | W186 L194 I211 Q217 A218 L219 | W186-I215 HydrophobicContact CH2-CD1 3.7Å; W186-I215 HydrophobicContact CZ3-CD1 3.46Å; W186-I215 VanDerWaalsContact CZ3-CD1 3.46Å; W186-I215 HydrophobicContact CZ3-CG2 4.33Å; L194-I215 HydrophobicContact CB-CD1 4.26Å; L194-I215 HydrophobicContact CD1-CD1 3.27Å; L194-I215 HydrophobicContact CD1-CG1 4.45Å; L194-I215 HydrophobicContact CG-CD1 4.38Å; I211-I215 HydrophobicContact CG2-CD1 3.89Å; I211-I215 HydrophobicContact CG2-CG1 4.48Å; I211-I215 WeakPolarHBondContact O-CG1 3.25Å; I211-I215 PolarHBondContact O-N 3.45Å; I215-Q217 VanDerWaalsContact C-N 3.25Å; I215-Q217 PolarHBondContact O-N 3.48Å; I215-A218 PolarHBondContact O-N 3.45Å; I215-L219 HydrophobicContact CG2-CD1 3.96Å; I215-L219 HydrophobicContact CG2-CG 4.34Å; I215-L219 WeakPolarHBondContact O-CB 3.47Å; I215-L219 WeakPolarHBondContact O-CG 3.47Å; I215-L219 PolarHBondContact O-N 2.84Å |
| 216 | R | 80.8 | Confident | 73.7 | Confident | 166 Ų | 166 | 99.1 Ų | 99.1 | 63% | 0.626 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.8 | -32.1 | 176.6 | -76.3 | 178.3 | -176.5 | 174 | -0.1 | 112.5 | K212 T213 A214 R220 | K212-R216 WeakPolarHBondContact O-CG 3.38Å; K212-R216 PolarHBondContact O-N 3.46Å; K212-R216 VanDerWaalsContact O-N 3.17Å; T213-R216 PolarHBondContact O-N 3.37Å; A214-R216 PolarHBondContact O-N 2.95Å; R216-R220 WeakPolarHBondContact O-CD 3.45Å; R216-R220 VanDerWaalsContact O-CG 3.27Å; R216-R220 WeakPolarHBondContact O-CG 3.38Å; R216-R220 PolarHBondContact O-N 3.28Å |
| 217 | Q | 83.7 | Confident | 73 | Confident | 128 Ų | 128 | 96.6 Ų | 96.6 | 60% | 0.598 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -72 | -48.3 | 174.3 | -77.6 | 173.3 | -20.4 | 0 | 0 | 110.3 | T213 A214 I215 L219 R220 S221 | T213-Q217 WeakPolarHBondContact O-CB 3.48Å; T213-Q217 WeakPolarHBondContact O-CG 3.42Å; T213-Q217 PolarHBondContact O-N 3.26Å; A214-Q217 WeakPolarHBondContact O-CB 3.42Å; A214-Q217 PolarHBondContact O-N 3.15Å; A214-Q217 VanDerWaalsContact O-N 3.1Å; I215-Q217 VanDerWaalsContact C-N 3.25Å; I215-Q217 PolarHBondContact O-N 3.48Å; Q217-L219 VanDerWaalsContact C-N 3.32Å; Q217-L219 PolarHBondContact O-N 3.46Å; Q217-R220 WeakPolarHBondContact O-CB 3.21Å; Q217-R220 PolarHBondContact O-N 3.35Å; Q217-S221 PolarHBondContact O-N 3.41Å; Q217-S221 PolarHBondContact O-OG 2.89Å |
| 218 | A | 79.3 | Confident | 72.5 | Confident | 19 Ų | 19 | 97.8 Ų | 97.8 | 16% | 0.157 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -56.1 | -43.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L193 A214 I215 R220 S221 N222 | L193-A218 HydrophobicContact CD1-CB 4.48Å; L193-A218 HydrophobicContact CD2-CB 4.39Å; A214-A218 PolarHBondContact O-N 2.88Å; I215-A218 PolarHBondContact O-N 3.45Å; A218-R220 VanDerWaalsContact C-N 3.29Å; A218-R220 PolarHBondContact O-N 2.9Å; A218-S221 PolarHBondContact O-N 2.91Å; A218-N222 WeakPolarHBondContact O-CB 3.35Å; A218-N222 PolarHBondContact O-N 2.91Å; A218-N222 PolarHBondContact O-ND2 3.35Å |
| 219 | L | 79.3 | Confident | 71.9 | Confident | 58 Ų | 58 | 98.7 Ų | 98.7 | 30% | 0.304 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.5 | -26.7 | 176.3 | -71.3 | 172.7 | 0 | 0 | 0 | 113.6 | E190 L193 I215 Q217 | E190-L219 HydrophobicContact CG-CD1 4.38Å; L193-L219 HydrophobicContact CD1-CD2 3.56Å; L193-L219 HydrophobicContact CD1-CG 3.92Å; I215-L219 HydrophobicContact CG2-CD1 3.96Å; I215-L219 HydrophobicContact CG2-CG 4.34Å; I215-L219 WeakPolarHBondContact O-CB 3.47Å; I215-L219 WeakPolarHBondContact O-CG 3.47Å; I215-L219 PolarHBondContact O-N 2.84Å; Q217-L219 VanDerWaalsContact C-N 3.32Å; Q217-L219 PolarHBondContact O-N 3.46Å |
| 220 | R | 85.5 | Confident | 71.2 | Confident | 212 Ų | 212 | 98.7 Ų | 98.7 | 80% | 0.8 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -77.9 | -37.4 | 173.6 | -74.5 | 171.1 | -179 | -98.2 | 0.3 | 111.4 | R216 Q217 A218 G223 | R216-R220 WeakPolarHBondContact O-CD 3.45Å; R216-R220 VanDerWaalsContact O-CG 3.27Å; R216-R220 WeakPolarHBondContact O-CG 3.38Å; R216-R220 PolarHBondContact O-N 3.28Å; Q217-R220 WeakPolarHBondContact O-CB 3.21Å; Q217-R220 PolarHBondContact O-N 3.35Å; A218-R220 VanDerWaalsContact C-N 3.29Å; A218-R220 PolarHBondContact O-N 2.9Å; R220-G223 PolarHBondContact O-N 3.5Å |
| 221 | S | 82.6 | Confident | 69.7 | Low | 99 Ų | 99 | 104 Ų | 104 | 69% | 0.692 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -70 | -37.7 | 178.7 | -49.8 | 0 | 0 | 0 | 0 | 112.1 | Q217 A218 G223 | Q217-S221 PolarHBondContact O-N 3.41Å; Q217-S221 PolarHBondContact O-OG 2.89Å; A218-S221 PolarHBondContact O-N 2.91Å; S221-G223 PolarHBondContact O-N 3.46Å |
| 222 | N | 72.2 | Confident | 68.6 | Low | 90 Ų | 90 | 106.5 Ų | 106.5 | 48% | 0.481 | 58% | 0.581 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.4 | 23.7 | 176.4 | -64.6 | -23.2 | 0 | 0 | 0 | 112.7 | A218 | A218-N222 WeakPolarHBondContact O-CB 3.35Å; A218-N222 PolarHBondContact O-N 2.91Å; A218-N222 PolarHBondContact O-ND2 3.35Å |
| 223 | G | 66.5 | Low | 67.6 | Low | 37 Ų | 37 | 107.9 Ų | 107.9 | 38% | 0.381 | 59% | 0.593 | S | S | . | * | trans | -45.9 | 141.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | R220 S221 T225 | R220-G223 PolarHBondContact O-N 3.5Å; S221-G223 PolarHBondContact O-N 3.46Å; G223-T225 PolarHBondContact O-N 3.21Å | ||
| 224 | P | 60.2 | Low | 66.4 | Low | 131 Ų | 131 | 111 Ų | 111 | 85% | 0.851 | 62% | 0.615 | S | S | * | * | trans | -47.9 | 103.7 | -156 | 20.6 | -33.9 | 0 | 0 | 0 | 110.1 | R226 | P224-R226 PolarHBondContact O-N 3.48Š| ||
| 225 | T | 57.8 | Low | 65.5 | Low | 128 Ų | 128 | 114.5 Ų | 114.5 | 79% | 0.785 | 64% | 0.644 | S | S | * | * | trans | -61.8 | 94.9 | 169.5 | -40.6 | 0 | 0 | 0 | 0 | 104.4 | G223 A227 | G223-T225 PolarHBondContact O-N 3.21Å; T225-A227 PolarHBondContact O-N 2.69Å | ||
| 226 | R | 54.5 | Low | 64.6 | Low | 237 Ų | 237 | 119.8 Ų | 119.8 | 89% | 0.894 | 68% | 0.678 | S | S | * | * | trans | -54.2 | 105.2 | -179.8 | -167.4 | 178.8 | -176.2 | -170.6 | 0.6 | 104.8 | P224 | P224-R226 PolarHBondContact O-N 3.48Š| ||
| 227 | A | 55.8 | Low | 63.4 | Low | 76 Ų | 76 | 117.3 Ų | 117.3 | 63% | 0.628 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 131.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | T225 G229 | T225-A227 PolarHBondContact O-N 2.69Å; A227-G229 PolarHBondContact O-N 3.38Å; A227-G229 VanDerWaalsContact O-N 3.12Å |
| 228 | P | 57.7 | Low | 62.4 | Low | 130 Ų | 130 | 116 Ų | 116 | 84% | 0.844 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 124.2 | -178.4 | 19.2 | -29.9 | 0 | 0 | 0 | 108.8 | N230 | P228-N230 PolarHBondContact O-N 3.26Š|
| 229 | G | 50.8 | Low | 61.5 | Low | 65 Ų | 65 | 122.1 Ų | 122.1 | 67% | 0.67 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 125.2 | -165.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | A227 Q231 | A227-G229 PolarHBondContact O-N 3.38Å; A227-G229 VanDerWaalsContact O-N 3.12Å; G229-Q231 PolarHBondContact O-N 3.36Å |
| 230 | N | 55 | Low | 60.7 | Low | 156 Ų | 156 | 130 Ų | 130 | 83% | 0.834 | 75% | 0.747 | S | S | * | * | trans | -69.2 | 105.2 | 143.9 | -114.3 | -0.7 | 0 | 0 | 0 | 105.8 | P228 T232 | P228-N230 PolarHBondContact O-N 3.26Å; N230-T232 PolarHBondContact O-N 3.26Å | ||
| 231 | Q | 48.9 | Very low | 59.8 | Low | 189 Ų | 189 | 126.6 Ų | 126.6 | 88% | 0.883 | 75% | 0.745 | S | S | * | * | trans | -59.6 | 104.4 | 164.7 | -66.9 | 175.8 | 46 | 0 | 0 | 106.2 | G229 | G229-Q231 PolarHBondContact O-N 3.36Š| ||
| 232 | T | 56.6 | Low | 59.1 | Low | 121 Ų | 121 | 130.8 Ų | 130.8 | 74% | 0.742 | 75% | 0.753 | S | S | * | * | trans | -118 | 121.2 | 165.2 | -46.8 | 0 | 0 | 0 | 0 | 105.5 | N230 | N230-T232 PolarHBondContact O-N 3.26Š| ||
| 233 | D | 54.3 | Low | 58.9 | Low | 141 Ų | 141 | 137.2 Ų | 137.2 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | trans | -51 | 150.4 | -166.8 | -64.5 | -72.1 | 0 | 0 | 0 | 114.5 | A235 | D233-A235 PolarHBondContact O-N 3.43Š| ||
| 234 | P | 57.1 | Low | 59.2 | Low | 126 Ų | 126 | 141 Ų | 141 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -65.9 | 103.3 | -178 | 27.3 | -34.4 | 0 | 0 | 0 | 111 | ||||
| 235 | A | 60.4 | Low | 59.9 | Low | 90 Ų | 90 | 144.3 Ų | 144.3 | 74% | 0.744 | 79% | 0.79 | S | S | * | * | trans | -69.9 | 142.2 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | D233 | D233-A235 PolarHBondContact O-N 3.43Š| ||
| 236 | P | 57.2 | Low | 60.9 | Low | 117 Ų | 117 | 143.4 Ų | 143.4 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | trans | -70.1 | 141.9 | -161.2 | 25.9 | -34.3 | 0 | 0 | 0 | 113.8 | S238 | P236-S238 PolarHBondContact O-N 2.98Š| ||
| 237 | S | 56.9 | Low | 62 | Low | 113 Ų | 113 | 137.6 Ų | 137.6 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | trans | -40.4 | 102.7 | 165.8 | 50.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 238 | S | 62 | Low | 62.9 | Low | 101 Ų | 101 | 139.5 Ų | 139.5 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | trans | -88 | 106.2 | 157.5 | 41.1 | 0 | 0 | 0 | 0 | 107.1 | P236 R240 | P236-S238 PolarHBondContact O-N 2.98Å; S238-R240 PolarHBondContact O-N 3.24Å | ||
| 239 | D | 59.3 | Low | 63.8 | Low | 147 Ų | 147 | 139.5 Ų | 139.5 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | trans | -35.8 | 99.2 | 160.4 | -85 | -71.1 | 0 | 0 | 0 | 110.3 | D241 | D239-D241 PolarHBondContact O-N 3.26Š| ||
| 240 | R | 64.2 | Low | 64.6 | Low | 223 Ų | 223 | 139.2 Ų | 139.2 | 84% | 0.842 | 78% | 0.782 | S | S | * | * | trans | -92.1 | 89.4 | 163.8 | -81.6 | -168 | 173.6 | -172.2 | -0.4 | 107.1 | S238 H242 | S238-R240 PolarHBondContact O-N 3.24Å; R240-H242 PolarHBondContact O-N 3.24Å; R240-H242 PolarHBondContact O-ND1 3.1Å | ||
| 241 | D | 65.6 | Low | 65.6 | Low | 141 Ų | 141 | 138 Ų | 138 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | trans | -19.1 | 106.5 | 158.5 | -79.2 | -65.1 | 0 | 0 | 0 | 111.7 | D239 R243 | D239-D241 PolarHBondContact O-N 3.26Å; D241-R243 PolarHBondContact O-N 2.92Å | ||
| 242 | H | 67.7 | Low | 66.5 | Low | 187 Ų | 187 | 133.5 Ų | 133.5 | 87% | 0.866 | 78% | 0.778 | S | S | * | * | trans | -66 | 78.7 | 164.4 | -73 | 5.3 | 0 | 0 | 0 | 108.2 | R240 P244 | R240-H242 PolarHBondContact O-N 3.24Å; R240-H242 PolarHBondContact O-ND1 3.1Å; H242-P244 WeakPolarHBondContact O-CD 3.49Å | ||
| 243 | R | 68.5 | Low | 66.8 | Low | 225 Ų | 225 | 139.2 Ų | 139.2 | 85% | 0.849 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 116.4 | 163 | -80.9 | -169.8 | 173.5 | -143.9 | -1.1 | 107.4 | D241 F245 | D241-R243 PolarHBondContact O-N 2.92Å; R243-F245 PolarHBondContact O-N 3.14Å |
| 244 | P | 73.3 | Confident | 67.3 | Low | 118 Ų | 118 | 144 Ų | 144 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 133.4 | 174.8 | -15.6 | 28.6 | 0 | 0 | 0 | 108.5 | H242 | H242-P244 WeakPolarHBondContact O-CD 3.49Š|
| 245 | F | 74.8 | Confident | 67.7 | Low | 199 Ų | 199 | 143.2 Ų | 143.2 | 87% | 0.873 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 128 | 171.3 | -86.3 | -93.1 | 0 | 0 | 0 | 108.9 | R243 | R243-F245 PolarHBondContact O-N 3.14Š|
| 246 | P | 77.7 | Confident | 67.3 | Low | 110 Ų | 110 | 142.5 Ų | 142.5 | 71% | 0.714 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 138.6 | 174.2 | 24.7 | -32.2 | 0 | 0 | 0 | 109.2 | ||
| 247 | P | 77.5 | Confident | 67.6 | Low | 115 Ų | 115 | 142.3 Ų | 142.3 | 75% | 0.747 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 147.5 | 178.7 | 25.5 | -33.6 | 0 | 0 | 0 | 110.4 | ||
| 248 | P | 75.1 | Confident | 68 | Low | 115 Ų | 115 | 142.8 Ų | 142.8 | 75% | 0.747 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 142.9 | 179.9 | 25.1 | -33.5 | 0 | 0 | 0 | 110.6 | G250 | P248-G250 PolarHBondContact O-N 3.23Å; P248-G250 VanDerWaalsContact O-N 3.13Å |
| 249 | P | 76.2 | Confident | 68.1 | Low | 130 Ų | 130 | 143.4 Ų | 143.4 | 84% | 0.844 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 121.2 | 177.7 | 24 | -32.7 | 0 | 0 | 0 | 109.4 | ||
| 250 | G | 68.8 | Low | 68.5 | Low | 59 Ų | 59 | 142.1 Ų | 142.1 | 61% | 0.608 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 155 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | P248 A252 | P248-G250 PolarHBondContact O-N 3.23Å; P248-G250 VanDerWaalsContact O-N 3.13Å; G250-A252 PolarHBondContact O-N 2.93Å |
| 251 | P | 74.9 | Confident | 68.6 | Low | 132 Ų | 132 | 139.3 Ų | 139.3 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | trans | -58.8 | 114.2 | 179.9 | 24.8 | -33.2 | 0 | 0 | 0 | 109.5 | R253 | P251-R253 PolarHBondContact O-N 3.11Š| ||
| 252 | A | 67.7 | Low | 68.5 | Low | 94 Ų | 94 | 141.9 Ų | 141.9 | 78% | 0.777 | 80% | 0.802 | S | S | * | * | trans | -54.1 | 112.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109 | G250 R254 | G250-A252 PolarHBondContact O-N 2.93Å; A252-R254 PolarHBondContact O-N 3.37Å | ||
| 253 | R | 63 | Low | 68.5 | Low | 240 Ų | 240 | 140.9 Ų | 140.9 | 91% | 0.906 | 80% | 0.798 | S | S | * | * | trans | -55.3 | 110.3 | 167.9 | -85.8 | 178.8 | 171.5 | -103.8 | 1.6 | 106.8 | P251 S255 | P251-R253 PolarHBondContact O-N 3.11Å; R253-S255 VanDerWaalsContact C-N 3.3Å; R253-S255 PolarHBondContact O-N 3.3Å | ||
| 254 | R | 65.4 | Low | 68.1 | Low | 242 Ų | 242 | 137 Ų | 137 | 91% | 0.913 | 79% | 0.794 | S | S | * | * | trans | -63.6 | 97.6 | 166.4 | -76.9 | 179.1 | -178.8 | -114.3 | -0.1 | 106.9 | A252 G256 | A252-R254 PolarHBondContact O-N 3.37Å; R254-G256 PolarHBondContact O-N 3.04Å | ||
| 255 | S | 65 | Low | 67.8 | Low | 109 Ų | 109 | 137 Ų | 137 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -56 | 126.1 | 161.1 | 27.7 | 0 | 0 | 0 | 0 | 107.8 | R253 S257 | R253-S255 VanDerWaalsContact C-N 3.3Å; R253-S255 PolarHBondContact O-N 3.3Å; S255-S257 PolarHBondContact O-N 2.93Å |
| 256 | G | 53.6 | Low | 66.8 | Low | 75 Ų | 75 | 134.4 Ų | 134.4 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -51 | 124.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | R254 | R254-G256 PolarHBondContact O-N 3.04Š|
| 257 | S | 63.4 | Low | 65.8 | Low | 114 Ų | 114 | 136.6 Ų | 136.6 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 126.9 | 160.5 | -56.6 | 0 | 0 | 0 | 0 | 107.5 | S255 | S255-S257 PolarHBondContact O-N 2.93Š|
| 258 | P | 64 | Low | 64.8 | Low | 123 Ų | 123 | 137.1 Ų | 137.1 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 135.3 | -177.2 | 24.3 | -32 | 0 | 0 | 0 | 111.3 | ||
| 259 | S | 64.9 | Low | 63.9 | Low | 114 Ų | 114 | 135.7 Ų | 135.7 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 127.8 | 177.5 | -63.8 | 0 | 0 | 0 | 0 | 111.5 | Q261 | S259-Q261 PolarHBondContact O-N 2.81Š|
| 260 | P | 66.9 | Low | 63 | Low | 120 Ų | 120 | 135.8 Ų | 135.8 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 125.3 | 173.4 | 25.1 | -29.6 | 0 | 0 | 0 | 110.2 | Q262 | P260-Q262 PolarHBondContact O-N 3.28Š|
| 261 | Q | 65.8 | Low | 62.8 | Low | 164 Ų | 164 | 140 Ų | 140 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 120.2 | 172 | -79.2 | 171.8 | -35.9 | 0 | 0 | 110.1 | S259 H263 | S259-Q261 PolarHBondContact O-N 2.81Å; Q261-H263 PolarHBondContact O-N 2.91Å; Q261-H263 VanDerWaalsContact O-N 3.17Å |
| 262 | Q | 65.2 | Low | 62.2 | Low | 195 Ų | 195 | 141.2 Ų | 141.2 | 91% | 0.911 | 79% | 0.793 | S | S | * | * | trans | -72.3 | 101.8 | 169.5 | -71.5 | -176.7 | -34.2 | 0 | 0 | 108.6 | P260 N264 | P260-Q262 PolarHBondContact O-N 3.28Å; Q262-N264 PolarHBondContact O-N 3.09Å | ||
| 263 | H | 67.1 | Low | 62.3 | Low | 165 Ų | 165 | 142 Ų | 142 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | trans | -76 | 120.1 | 162.5 | -70.6 | -82.5 | 0 | 0 | 0 | 108.4 | Q261 P265 | Q261-H263 PolarHBondContact O-N 2.91Å; Q261-H263 VanDerWaalsContact O-N 3.17Å; H263-P265 VanDerWaalsContact O-CD 3.24Å; H263-P265 WeakPolarHBondContact O-CD 3.47Å | ||
| 264 | N | 60.4 | Low | 62.2 | Low | 145 Ų | 145 | 140.6 Ų | 140.6 | 78% | 0.775 | 79% | 0.791 | S | S | * | * | trans | -94.3 | 103.3 | -179.8 | -164.6 | -2.3 | 0 | 0 | 0 | 108.1 | Q262 H266 | Q262-N264 PolarHBondContact O-N 3.09Å; N264-H266 PolarHBondContact O-N 3.36Å; N264-H266 VanDerWaalsContact O-N 3.16Å | ||
| 265 | P | 66.2 | Low | 62.3 | Low | 117 Ų | 117 | 133.9 Ų | 133.9 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | trans | -75.7 | 106.7 | 174.2 | 29 | -30.9 | 0 | 0 | 0 | 109.4 | H263 | H263-P265 VanDerWaalsContact O-CD 3.24Å; H263-P265 WeakPolarHBondContact O-CD 3.47Å | ||
| 266 | H | 54.3 | Low | 62.5 | Low | 145 Ų | 145 | 132.2 Ų | 132.2 | 67% | 0.671 | 79% | 0.787 | S | S | * | * | trans | -45.4 | 131.4 | 162.6 | -107.2 | -112.6 | 0 | 0 | 0 | 112 | N264 | N264-H266 PolarHBondContact O-N 3.36Å; N264-H266 VanDerWaalsContact O-N 3.16Å | ||
| 267 | Q | 56 | Low | 63.2 | Low | 155 Ų | 155 | 135.8 Ų | 135.8 | 72% | 0.724 | 79% | 0.787 | S | S | * | * | 45.4 | 116.2 | 126.8 | -55.9 | 179.9 | 7.7 | 0 | 0 | 118.2 | |||||
| 268 | S | 56.3 | Low | 63.5 | Low | 127 Ų | 127 | 140.4 Ų | 140.4 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | trans | 163 | 139.3 | 144.6 | -75.9 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 269 | A | 57.1 | Low | 64 | Low | 85 Ų | 85 | 143.4 Ų | 143.4 | 70% | 0.702 | 82% | 0.817 | S | S | * | * | cis | -158 | 144.3 | 3.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | I271 | A269-I271 PolarHBondContact O-N 2.83Š| ||
| 270 | T | 57.3 | Low | 63.9 | Low | 131 Ų | 131 | 144.9 Ų | 144.9 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | trans | -67.3 | 119.6 | 168.3 | -51.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 271 | I | 64.5 | Low | 63.8 | Low | 149 Ų | 149 | 146.2 Ų | 146.2 | 76% | 0.764 | 82% | 0.82 | S | S | * | * | trans | -126.9 | 104.4 | 165.8 | -57.8 | 179.4 | 0 | 0 | 0 | 108.5 | A269 | A269-I271 PolarHBondContact O-N 2.83Š| ||
| 272 | L | 62.1 | Low | 63.7 | Low | 157 Ų | 157 | 145.2 Ų | 145.2 | 82% | 0.822 | 82% | 0.823 | S | S | * | * | trans | -89.7 | 129.1 | 163.7 | -88.5 | 149.8 | 0 | 0 | 0 | 108.7 | ||||
| 273 | P | 70.1 | Confident | 63.6 | Low | 110 Ų | 110 | 142.3 Ų | 142.3 | 71% | 0.714 | 82% | 0.818 | S | S | * | * | trans | -123.2 | 105.7 | 151 | 28.7 | -14 | 0 | 0 | 0 | 109.3 | ||||
| 274 | K | 61 | Low | 63.4 | Low | 210 Ų | 210 | 140.9 Ų | 140.9 | 91% | 0.913 | 82% | 0.821 | S | S | * | * | 76 | 107.9 | 95.2 | -112.7 | 179.4 | -178.8 | 179.1 | 0 | 113.8 | |||||
| 275 | A | 67.6 | Low | 63.6 | Low | 101 Ų | 101 | 140.6 Ų | 140.6 | 84% | 0.835 | 82% | 0.824 | S | S | * | * | trans | -57.2 | 128.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 276 | G | 68.3 | Low | 63.4 | Low | 74 Ų | 74 | 142.3 Ų | 142.3 | 76% | 0.763 | 83% | 0.829 | S | S | * | * | trans | -100.7 | 108.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 277 | I | 68.5 | Low | 64.1 | Low | 150 Ų | 150 | 142.1 Ų | 142.1 | 77% | 0.769 | 84% | 0.841 | S | S | * | * | trans | -71.1 | 130.4 | 164 | -65.2 | 160.7 | 0 | 0 | 0 | 107.1 | ||||
| 278 | F | 69.7 | Low | 64.7 | Low | 211 Ų | 211 | 141 Ų | 141 | 93% | 0.925 | 85% | 0.851 | S | S | * | * | trans | -131.8 | 126.3 | 155.7 | -96.9 | -85.2 | 0 | 0 | 0 | 108.6 | ||||
| 279 | S | 74.5 | Confident | 65.5 | Low | 187 Ų | 187 | 142.3 Ų | 142.3 | 100% | 1.308 | 85% | 0.847 | S | S | * | * | trans | -60.7 | 0 | -174.6 | -50 | 0 | 0 | 0 | 0 | 114.6 |
Retrieved 279 of 279 residues in 77.2 ms
(Link to these results)