| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 49.3 | Very low | 43.1 | Very low | 230 Ų | 230 | 148 Ų | 148 | 100% | 1.133 | 75% | 0.746 | S | S | * | * | 0 | 73.6 | 0 | -62.2 | 161.5 | -179.4 | 0 | 0 | 109.4 | |||||
| 2 | F | 38.3 | Very low | 42.8 | Very low | 179 Ų | 179 | 149.4 Ų | 149.4 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | trans | -132 | -20.4 | -176.2 | -90.3 | -79.4 | 0 | 0 | 0 | 115.2 | G4 | F2-G4 VanDerWaalsContact C-N 3.35Å; F2-G4 PolarHBondContact O-N 3.15Å | ||
| 3 | A | 42.5 | Very low | 42.7 | Very low | 94 Ų | 94 | 143.9 Ų | 143.9 | 78% | 0.777 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -65.8 | -31.5 | 179 | 0 | 0 | 0 | 0 | 0 | 114.1 | V5 | A3-V5 PolarHBondContact O-N 3.06Å |
| 4 | G | 40.2 | Very low | 42.5 | Very low | 53 Ų | 53 | 137.2 Ų | 137.2 | 55% | 0.546 | 71% | 0.712 | S | S | . | * | H | α-helix | trans | -73.3 | -20.6 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | F2 | F2-G4 VanDerWaalsContact C-N 3.35Å; F2-G4 PolarHBondContact O-N 3.15Å |
| 5 | V | 47.8 | Very low | 42.2 | Very low | 101 Ų | 101 | 133.7 Ų | 133.7 | 61% | 0.612 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -78.1 | -34 | -173.2 | -173.4 | 0 | 0 | 0 | 0 | 111.7 | A3 | A3-V5 PolarHBondContact O-N 3.06Å |
| 6 | F | 42.8 | Very low | 41.9 | Very low | 171 Ų | 171 | 132.1 Ų | 132.1 | 75% | 0.75 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -69.2 | -33.1 | -178.1 | -89.1 | -90.4 | 0 | 0 | 0 | 113.6 | F8 | F6-F8 PolarHBondContact O-N 3.5Å |
| 7 | S | 44.7 | Very low | 41.7 | Very low | 86 Ų | 86 | 133.9 Ų | 133.9 | 60% | 0.601 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -65.2 | -37.6 | 178.1 | -68.5 | 0 | 0 | 0 | 0 | 113.4 | ||
| 8 | F | 40.9 | Very low | 41.7 | Very low | 168 Ų | 168 | 136.7 Ų | 136.7 | 74% | 0.737 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -70.7 | -37.2 | -178.8 | -95.5 | -90.6 | 0 | 0 | 0 | 112.9 | F6 W10 M11 F12 | F6-F8 PolarHBondContact O-N 3.5Å; F8-W10 VanDerWaalsContact C-N 3.34Å; F8-W10 PolarHBondContact O-N 3.44Å; F8-M11 PolarHBondContact O-N 3.4Å; F8-F12 PolarHBondContact O-N 3.39Å |
| 9 | Y | 40.6 | Very low | 41.4 | Very low | 176 Ų | 176 | 138.4 Ų | 138.4 | 69% | 0.69 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -67 | -35.9 | -179 | -146.3 | -93 | 0 | 0 | 0 | 112.3 | F12 C13 | Y9-F12 PolarHBondContact O-N 3.45Å; Y9-C13 PolarHBondContact O-N 3.13Å |
| 10 | W | 43.7 | Very low | 41.1 | Very low | 222 Ų | 222 | 143.1 Ų | 143.1 | 84% | 0.841 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -67.9 | -38.2 | 179.1 | -158.2 | -79.4 | 0 | 0 | 0 | 112.8 | F8 G14 | F8-W10 VanDerWaalsContact C-N 3.34Å; F8-W10 PolarHBondContact O-N 3.44Å; W10-G14 PolarHBondContact O-N 3.41Å |
| 11 | M | 43.1 | Very low | 40.8 | Very low | 148 Ų | 148 | 144.5 Ų | 144.5 | 73% | 0.729 | 74% | 0.736 | S | S | * | * | H | α-helix | trans | -64.5 | -41.7 | 174.5 | -76.9 | -169.2 | 168.8 | 0 | 0 | 112 | F8 G14 S15 | F8-M11 PolarHBondContact O-N 3.4Å; M11-G14 PolarHBondContact O-N 3.48Å; M11-S15 PolarHBondContact O-N 3.31Å |
| 12 | F | 39.6 | Very low | 40 | Very low | 165 Ų | 165 | 139 Ų | 139 | 72% | 0.724 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -70.2 | -42.6 | -175.6 | -136.2 | -96.3 | 0 | 0 | 0 | 112.9 | F8 Y9 G14 S15 | F8-F12 PolarHBondContact O-N 3.39Å; Y9-F12 PolarHBondContact O-N 3.45Å; F12-G14 VanDerWaalsContact C-N 3.29Å; F12-G14 PolarHBondContact O-N 3.45Å; F12-S15 PolarHBondContact O-N 3.36Å |
| 13 | C | 41.6 | Very low | 39.6 | Very low | 78 Ų | 78 | 136 Ų | 136 | 53% | 0.527 | 72% | 0.722 | S | S | . | * | H | α-helix | trans | -63.7 | -33.5 | 172.8 | -78.2 | 0 | 0 | 0 | 0 | 112.7 | Y9 S15 | Y9-C13 PolarHBondContact O-N 3.13Å; C13-S15 VanDerWaalsContact C-N 3.3Å; C13-S15 PolarHBondContact O-N 3.3Å |
| 14 | G | 39.4 | Very low | 39.5 | Very low | 50 Ų | 50 | 137.9 Ų | 137.9 | 52% | 0.515 | 73% | 0.726 | S | S | . | * | H | α-helix | trans | -64.1 | -29 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | W10 M11 F12 | W10-G14 PolarHBondContact O-N 3.41Å; M11-G14 PolarHBondContact O-N 3.48Å; F12-G14 VanDerWaalsContact C-N 3.29Å; F12-G14 PolarHBondContact O-N 3.45Å |
| 15 | S | 38.6 | Very low | 39 | Very low | 85 Ų | 85 | 140 Ų | 140 | 59% | 0.594 | 74% | 0.738 | S | S | * | * | H | α-helix | trans | -80.5 | -40 | 178.9 | -65 | 0 | 0 | 0 | 0 | 113.5 | M11 F12 C13 L17 K18 | M11-S15 PolarHBondContact O-N 3.31Å; F12-S15 PolarHBondContact O-N 3.36Å; C13-S15 VanDerWaalsContact C-N 3.3Å; C13-S15 PolarHBondContact O-N 3.3Å; S15-L17 VanDerWaalsContact C-N 3.35Å; S15-L17 PolarHBondContact O-N 3.46Å; S15-K18 PolarHBondContact O-N 3.21Å |
| 16 | V | 37.9 | Very low | 38.3 | Very low | 107 Ų | 107 | 142.4 Ų | 142.4 | 65% | 0.648 | 75% | 0.753 | S | S | * | * | H | α-helix | trans | -68.5 | -33 | -173.4 | 178.2 | 0 | 0 | 0 | 0 | 112.2 | K18 | V16-K18 PolarHBondContact O-N 3.2Å |
| 17 | L | 38.5 | Very low | 37.7 | Very low | 164 Ų | 164 | 138.8 Ų | 138.8 | 86% | 0.859 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | 0.4 | -179.6 | -144.1 | 71.5 | 0 | 0 | 0 | 114.1 | S15 | S15-L17 VanDerWaalsContact C-N 3.35Å; S15-L17 PolarHBondContact O-N 3.46Å |
| 18 | K | 40.8 | Very low | 37.1 | Very low | 183 Ų | 183 | 142.5 Ų | 142.5 | 80% | 0.796 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.8 | 18 | -176.2 | -154.7 | 158.6 | -176.8 | 173.6 | 0 | 114.5 | S15 V16 | S15-K18 PolarHBondContact O-N 3.21Å; V16-K18 PolarHBondContact O-N 3.2Å |
| 19 | Q | 35.6 | Very low | 36.4 | Very low | 169 Ų | 169 | 140.6 Ų | 140.6 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -124.8 | 19.3 | -178.8 | -91.5 | -73.9 | -5.3 | 0 | 0 | 114.3 | ||
| 20 | R | 36.3 | Very low | 35.8 | Very low | 233 Ų | 233 | 138.3 Ų | 138.3 | 88% | 0.879 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -136.5 | 77 | 171.6 | -85.5 | -172 | 168.6 | 171.6 | -3.6 | 112.5 | ||
| 21 | N | 34.3 | Very low | 35.2 | Very low | 172 Ų | 172 | 132.1 Ų | 132.1 | 92% | 0.92 | 77% | 0.773 | S | S | * | * | trans | -174.6 | 85.3 | 147.6 | -99.1 | -16.2 | 0 | 0 | 0 | 110 | ||||
| 22 | S | 33.3 | Very low | 34.7 | Very low | 116 Ų | 116 | 136.5 Ų | 136.5 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | trans | -158.6 | 96.4 | 170.3 | -173.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 23 | S | 29.7 | Very low | 34.4 | Very low | 116 Ų | 116 | 136.7 Ų | 136.7 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | trans | 166 | 113.5 | 149.6 | -79.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 24 | P | 40.8 | Very low | 34 | Very low | 133 Ų | 133 | 139.4 Ų | 139.4 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | trans | -107.4 | 103.2 | 174.1 | 34.6 | -25.2 | 0 | 0 | 0 | 112.2 | ||||
| 25 | A | 30.1 | Very low | 33.7 | Very low | 97 Ų | 97 | 145.7 Ų | 145.7 | 80% | 0.802 | 81% | 0.81 | S | S | * | * | trans | -165.2 | 118.3 | 165.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 26 | V | 32.3 | Very low | 33.4 | Very low | 152 Ų | 152 | 148.7 Ų | 148.7 | 92% | 0.921 | 81% | 0.814 | S | S | * | * | -155.2 | 147.9 | 121.2 | 178.6 | 0 | 0 | 0 | 0 | 106.5 | |||||
| 27 | S | 29.4 | Very low | 33.3 | Very low | 94 Ų | 94 | 152.3 Ų | 152.3 | 66% | 0.657 | 82% | 0.822 | S | S | * | * | trans | -107.6 | 156.9 | -178 | -168.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 28 | L | 32 | Very low | 33.7 | Very low | 165 Ų | 165 | 149.9 Ų | 149.9 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | trans | 12.1 | 116.7 | 154.4 | -64.2 | 165.8 | 0 | 0 | 0 | 118.5 | ||||
| 29 | C | 28 | Very low | 33.2 | Very low | 128 Ų | 128 | 144.8 Ų | 144.8 | 87% | 0.865 | 82% | 0.815 | S | S | * | * | trans | -167.3 | 109.3 | 137.7 | -137.4 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 30 | S | 26.5 | Very low | 33 | Very low | 127 Ų | 127 | 144.7 Ų | 144.7 | 89% | 0.888 | 82% | 0.82 | S | S | * | * | trans | 168.9 | 149.4 | 138.3 | -79.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 31 | A | 32.1 | Very low | 32.9 | Very low | 93 Ų | 93 | 144.3 Ų | 144.3 | 77% | 0.769 | 82% | 0.818 | S | S | * | * | trans | -143.4 | 148.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 32 | R | 32.1 | Very low | 33.1 | Very low | 239 Ų | 239 | 142 Ų | 142 | 90% | 0.902 | 81% | 0.81 | S | S | * | * | trans | 39.7 | 106.9 | 148.4 | -66.6 | 178.5 | 171.3 | 175.1 | -2.9 | 120.1 | ||||
| 33 | I | 33.4 | Very low | 33.6 | Very low | 170 Ų | 170 | 142.6 Ų | 142.6 | 87% | 0.872 | 81% | 0.812 | S | S | * | * | trans | -146.9 | 149.3 | 146.3 | -56.3 | -177.7 | 0 | 0 | 0 | 107.4 | ||||
| 34 | L | 32.6 | Very low | 33.8 | Very low | 134 Ų | 134 | 141.8 Ų | 141.8 | 70% | 0.702 | 81% | 0.812 | S | S | * | * | -169.1 | 121.9 | -50.1 | -132.5 | 169.1 | 0 | 0 | 0 | 109.4 | |||||
| 35 | K | 34.2 | Very low | 33.4 | Very low | 183 Ų | 183 | 140.1 Ų | 140.1 | 80% | 0.796 | 81% | 0.809 | S | S | * | * | trans | 63.6 | 134.7 | 163.9 | -79.1 | 168.9 | -173.4 | 177.4 | 0 | 122.7 | ||||
| 36 | Q | 32.6 | Very low | 33.8 | Very low | 147 Ų | 147 | 142.4 Ų | 142.4 | 69% | 0.687 | 81% | 0.813 | S | S | * | * | 12.7 | 152.8 | 127.4 | -100.3 | 69.4 | 10.4 | 0 | 0 | 120.5 | |||||
| 37 | F | 34.6 | Very low | 33.9 | Very low | 184 Ų | 184 | 139.8 Ų | 139.8 | 81% | 0.807 | 81% | 0.808 | S | S | * | * | cis | -153.9 | -163.7 | 34.6 | -122.9 | -39.5 | 0 | 0 | 0 | 112.5 | ||||
| 38 | P | 47 | Very low | 34.5 | Very low | 113 Ų | 113 | 139.9 Ų | 139.9 | 73% | 0.734 | 81% | 0.814 | S | S | * | * | trans | -119.9 | 164 | -135.9 | 43.4 | -29 | 0 | 0 | 0 | 118.3 | ||||
| 39 | G | 30.1 | Very low | 35 | Very low | 75 Ų | 75 | 139.5 Ų | 139.5 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | 104.1 | 113.1 | 126.7 | 0 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 40 | D | 31.6 | Very low | 36.2 | Very low | 168 Ų | 168 | 136.9 Ų | 136.9 | 90% | 0.898 | 79% | 0.789 | S | S | * | * | trans | -153.4 | 169.3 | 139.3 | -140.4 | -29.1 | 0 | 0 | 0 | 111.4 | ||||
| 41 | R | 34.6 | Very low | 37.8 | Very low | 224 Ų | 224 | 135.9 Ų | 135.9 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | trans | -108.5 | 126.9 | -165.6 | -91.8 | -176.2 | 169.6 | -173.1 | -2.5 | 116 | ||||
| 42 | V | 38.3 | Very low | 39 | Very low | 123 Ų | 123 | 134.5 Ų | 134.5 | 75% | 0.745 | 77% | 0.768 | S | S | * | * | trans | 19.4 | 141.6 | 142.8 | -115.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 43 | P | 44.5 | Very low | 40.5 | Very low | 130 Ų | 130 | 124.7 Ų | 124.7 | 84% | 0.844 | 74% | 0.738 | S | S | * | * | -130.2 | 171.1 | 89 | 37.4 | -29.3 | 0 | 0 | 0 | 115.2 | |||||
| 44 | A | 34 | Very low | 42.1 | Very low | 98 Ų | 98 | 119.9 Ų | 119.9 | 81% | 0.81 | 72% | 0.724 | S | S | * | * | trans | -75.2 | 147.3 | -163.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 45 | A | 32.1 | Very low | 43.9 | Very low | 98 Ų | 98 | 119 Ų | 119 | 81% | 0.81 | 72% | 0.718 | S | S | * | * | trans | -129.1 | 148.5 | 150 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 46 | T | 37.8 | Very low | 45.8 | Very low | 145 Ų | 145 | 112.4 Ų | 112.4 | 89% | 0.89 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 135.6 | -173.2 | 44.1 | 0 | 0 | 0 | 0 | 112.1 | ||
| 47 | A | 34.6 | Very low | 48.1 | Very low | 98 Ų | 98 | 109.2 Ų | 109.2 | 81% | 0.81 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 133.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 48 | A | 42.8 | Very low | 50.4 | Low | 95 Ų | 95 | 106.6 Ų | 106.6 | 79% | 0.785 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 129.6 | 158.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||
| 49 | E | 41.7 | Very low | 52.1 | Low | 158 Ų | 158 | 104 Ų | 104 | 74% | 0.738 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 144.7 | 171.5 | -89.3 | -71.6 | 115.2 | 0 | 0 | 110.9 | ||
| 50 | P | 51.9 | Low | 54.7 | Low | 72 Ų | 72 | 101 Ų | 101 | 47% | 0.468 | 62% | 0.621 | S | S | . | * | P | Polyproline II helix | trans | -72.3 | 148.5 | -175.5 | 30 | -35.1 | 0 | 0 | 0 | 112 | A52 A53 | P50-A52 PolarHBondContact O-N 3.35Å; P50-A53 PolarHBondContact O-N 3.38Å |
| 51 | P | 61.2 | Low | 57.3 | Low | 107 Ų | 107 | 97.6 Ų | 97.6 | 70% | 0.695 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -63 | -9.2 | -179.5 | 26.4 | -35.8 | 0 | 0 | 0 | 114.4 | M55 | P51-M55 PolarHBondContact O-N 3.26Å |
| 52 | A | 57.9 | Low | 59.7 | Low | 63 Ų | 63 | 89.5 Ų | 89.5 | 52% | 0.521 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -68.8 | -33.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | P50 A56 | P50-A52 PolarHBondContact O-N 3.35Å; A52-A56 WeakPolarHBondContact O-CB 3.35Å; A52-A56 PolarHBondContact O-N 3.42Å |
| 53 | A | 62.1 | Low | 62 | Low | 33 Ų | 33 | 83.6 Ų | 83.6 | 27% | 0.273 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.4 | -52.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | P50 M55 A56 D57 | P50-A53 PolarHBondContact O-N 3.38Å; A53-M55 VanDerWaalsContact C-N 3.29Å; A53-M55 PolarHBondContact O-N 3.29Å; A53-A56 WeakPolarHBondContact O-CA 3.44Å; A53-A56 WeakPolarHBondContact O-CB 3.09Å; A53-A56 PolarHBondContact O-N 3.11Å; A53-D57 PolarHBondContact O-N 3.28Å |
| 54 | A | 68.3 | Low | 64.1 | Low | 69 Ų | 69 | 81.8 Ų | 81.8 | 57% | 0.57 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -57.1 | -37.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q58 | A54-Q58 WeakPolarHBondContact O-CB 3.38Å; A54-Q58 PolarHBondContact O-N 3.41Å |
| 55 | M | 70.2 | Confident | 66.6 | Low | 117 Ų | 117 | 82.5 Ų | 82.5 | 58% | 0.576 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -70.6 | -33 | 173 | -72.6 | -160.6 | -57.8 | 0 | 0 | 113.1 | P51 A53 L59 | P51-M55 PolarHBondContact O-N 3.26Å; A53-M55 VanDerWaalsContact C-N 3.29Å; A53-M55 PolarHBondContact O-N 3.29Å; M55-L59 WeakPolarHBondContact O-CB 3.39Å; M55-L59 WeakPolarHBondContact O-CD1 3.47Å; M55-L59 WeakPolarHBondContact O-CG 3.42Å; M55-L59 PolarHBondContact O-N 3.39Å |
| 56 | A | 73.7 | Confident | 69.2 | Low | 43 Ų | 43 | 78.6 Ų | 78.6 | 36% | 0.355 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -68.3 | -40.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | A52 A53 L59 L60 | A52-A56 WeakPolarHBondContact O-CB 3.35Å; A52-A56 PolarHBondContact O-N 3.42Å; A53-A56 WeakPolarHBondContact O-CA 3.44Å; A53-A56 WeakPolarHBondContact O-CB 3.09Å; A53-A56 PolarHBondContact O-N 3.11Å; A56-L59 PolarHBondContact O-N 2.69Å; A56-L60 WeakPolarHBondContact O-CG 3.28Å; A56-L60 PolarHBondContact O-N 3.47Å |
| 57 | D | 80.6 | Confident | 71.6 | Confident | 81 Ų | 81 | 73.1 Ų | 73.1 | 43% | 0.433 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -71 | -38.7 | 177.2 | -65 | -40.3 | 0 | 0 | 0 | 111.9 | A53 L59 L60 E61 | A53-D57 PolarHBondContact O-N 3.28Å; D57-L59 VanDerWaalsContact C-N 3.3Å; D57-L59 PolarHBondContact O-N 3.26Å; D57-L60 WeakPolarHBondContact O-CB 3.06Å; D57-L60 PolarHBondContact O-N 2.94Å; D57-E61 PolarHBondContact O-N 2.97Å |
| 58 | Q | 83.5 | Confident | 74.1 | Confident | 128 Ų | 128 | 71.2 Ų | 71.2 | 60% | 0.598 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -62.3 | -35.6 | 169.9 | -172.9 | 176.5 | 59.4 | 0 | 0 | 112.4 | A54 T62 | A54-Q58 WeakPolarHBondContact O-CB 3.38Å; A54-Q58 PolarHBondContact O-N 3.41Å; Q58-T62 WeakPolarHBondContact O-CG2 3.26Å; Q58-T62 PolarHBondContact O-N 2.87Å; Q58-T62 PolarHBondContact O-OG1 2.9Å |
| 59 | L | 82.1 | Confident | 76.1 | Confident | 58 Ų | 58 | 72.5 Ų | 72.5 | 30% | 0.304 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -70.7 | -36.2 | 174 | -76.1 | 168.8 | 0 | 0 | 0 | 112.6 | M55 A56 D57 T62 V63 V89 I95 | M55-L59 WeakPolarHBondContact O-CB 3.39Å; M55-L59 WeakPolarHBondContact O-CD1 3.47Å; M55-L59 WeakPolarHBondContact O-CG 3.42Å; M55-L59 PolarHBondContact O-N 3.39Å; A56-L59 PolarHBondContact O-N 2.69Å; D57-L59 VanDerWaalsContact C-N 3.3Å; D57-L59 PolarHBondContact O-N 3.26Å; L59-T62 WeakPolarHBondContact CA-OG1 3.36Å; L59-T62 PolarHBondContact O-OG1 2.81Å; L59-V63 VanDerWaalsContact O-CG2 3.3Å; L59-V63 WeakPolarHBondContact O-CG2 3.41Å; L59-V63 PolarHBondContact O-N 2.99Å; L59-V63 VanDerWaalsContact O-N 3.17Å; L59-V89 HydrophobicContact CD2-CG1 4.06Å; L59-I95 HydrophobicContact CB-CD1 3.79Å |
| 60 | L | 84.7 | Confident | 78.2 | Confident | 13 Ų | 13 | 65 Ų | 65 | 7% | 0.068 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -60.1 | -53.4 | 170.9 | -76.4 | 164.4 | 0 | 0 | 0 | 110.4 | A56 D57 T62 V63 E64 I95 R98 T99 | A56-L60 WeakPolarHBondContact O-CG 3.28Å; A56-L60 PolarHBondContact O-N 3.47Å; D57-L60 WeakPolarHBondContact O-CB 3.06Å; D57-L60 PolarHBondContact O-N 2.94Å; L60-T62 PolarHBondContact O-N 3.12Å; L60-V63 PolarHBondContact O-N 3.17Å; L60-V63 VanDerWaalsContact O-N 3.08Å; L60-E64 PolarHBondContact O-N 3.35Å; L60-I95 HydrophobicContact CD2-CB 4.14Å; L60-I95 HydrophobicContact CD2-CG1 3.86Å; L60-I95 HydrophobicContact CD2-CG2 4.13Å; L60-I95 HydrophobicContact CG-CG1 4.09Å; L60-R98 VanDerWaalsContact CD1-CZ 3.47Å; L60-R98 VanDerWaalsContact CD1-NH1 3.3Å; L60-R98 HydrophobicContact CD2-CB 3.91Å; L60-T99 HydrophobicContact CD2-CG2 3.79Å |
| 61 | E | 86.6 | Confident | 79.7 | Confident | 96 Ų | 96 | 67 Ų | 67 | 45% | 0.449 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.1 | -42.4 | -176.6 | -155.5 | -141.5 | 125.7 | 0 | 0 | 111.9 | D57 V63 E64 R65 | D57-E61 PolarHBondContact O-N 2.97Å; E61-V63 VanDerWaalsContact C-N 3.32Å; E61-V63 PolarHBondContact O-N 3.4Å; E61-E64 PolarHBondContact O-N 2.96Å; E61-R65 WeakPolarHBondContact O-CB 3.17Å; E61-R65 PolarHBondContact O-N 3.43Å; E61-R65 IonicContact OE1-CZ 3.7Å; E61-R65 IonicContact OE1-NE 2.77Å; E61-R65 PolarHBondContact OE1-NE 2.95Å; E61-R65 IonicContact OE1-NH2 2.64Å; E61-R65 PolarHBondContact OE1-NH2 2.97Å |
| 62 | T | 85.1 | Confident | 80.6 | Confident | 54 Ų | 54 | 67.2 Ų | 67.2 | 33% | 0.331 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -66.3 | -31.1 | 176.1 | 52.3 | 0 | 0 | 0 | 0 | 113.3 | Q58 L59 L60 L66 | Q58-T62 WeakPolarHBondContact O-CG2 3.26Å; Q58-T62 PolarHBondContact O-N 2.87Å; Q58-T62 PolarHBondContact O-OG1 2.9Å; L59-T62 WeakPolarHBondContact CA-OG1 3.36Å; L59-T62 PolarHBondContact O-OG1 2.81Å; L60-T62 PolarHBondContact O-N 3.12Å; T62-L66 WeakPolarHBondContact O-CB 3.32Å; T62-L66 VanDerWaalsContact O-CG 3.27Å; T62-L66 WeakPolarHBondContact O-CG 3.32Å; T62-L66 PolarHBondContact O-N 3.21Å; T62-L66 VanDerWaalsContact O-N 3.09Å |
| 63 | V | 86.5 | Confident | 81.5 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -72.5 | -41.3 | 173.4 | 169.2 | 0 | 0 | 0 | 0 | 111.4 | L59 L60 E61 L66 Q67 L86 V89 M91 I95 T99 V101 | L59-V63 VanDerWaalsContact O-CG2 3.3Å; L59-V63 WeakPolarHBondContact O-CG2 3.41Å; L59-V63 PolarHBondContact O-N 2.99Å; L59-V63 VanDerWaalsContact O-N 3.17Å; L60-V63 PolarHBondContact O-N 3.17Å; L60-V63 VanDerWaalsContact O-N 3.08Å; E61-V63 VanDerWaalsContact C-N 3.32Å; E61-V63 PolarHBondContact O-N 3.4Å; V63-L66 PolarHBondContact O-N 3.34Å; V63-Q67 WeakPolarHBondContact O-CB 3Å; V63-Q67 PolarHBondContact O-N 3.35Å; V63-L86 HydrophobicContact CG1-CD1 4.21Å; V63-L86 HydrophobicContact CG2-CD1 4.25Å; V63-V89 HydrophobicContact CG2-CG1 4.02Å; V63-M91 HydrophobicContact CG1-CE 4.05Å; V63-M91 HydrophobicContact CG2-CE 3.91Å; V63-I95 HydrophobicContact CB-CG2 4.24Å; V63-I95 HydrophobicContact CG1-CG2 4.26Å; V63-I95 HydrophobicContact CG2-CG2 4.01Å; V63-T99 HydrophobicContact CB-CG2 4.29Å; V63-T99 HydrophobicContact CG1-CG2 3.84Å; V63-V101 HydrophobicContact CG1-CB 4.1Å; V63-V101 HydrophobicContact CG1-CG1 3.85Å; V63-V101 HydrophobicContact CG1-CG2 4.32Å |
| 64 | E | 88.4 | Confident | 81.9 | Confident | 91 Ų | 91 | 70.1 Ų | 70.1 | 43% | 0.425 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -65 | -44.3 | 175.4 | -69.8 | -178.9 | -176.6 | 0 | 0 | 111.4 | L60 E61 L66 Q67 S68 T99 | L60-E64 PolarHBondContact O-N 3.35Å; E61-E64 PolarHBondContact O-N 2.96Å; E64-L66 PolarHBondContact O-N 2.93Å; E64-Q67 WeakPolarHBondContact O-CA 3.17Å; E64-Q67 WeakPolarHBondContact O-CB 3.41Å; E64-Q67 PolarHBondContact O-N 2.86Å; E64-S68 PolarHBondContact O-N 3Å; E64-S68 PolarHBondContact O-OG 3.15Å; E64-T99 HydrophobicContact CG-CG2 3.73Å |
| 65 | R | 87.8 | Confident | 82.5 | Confident | 114 Ų | 114 | 71.4 Ų | 71.4 | 43% | 0.43 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.8 | -28.6 | 174.1 | -161.8 | -169.2 | -72.1 | -149.2 | 2.8 | 112.6 | E61 R69 E517 | E61-R65 WeakPolarHBondContact O-CB 3.17Å; E61-R65 PolarHBondContact O-N 3.43Å; E61-R65 IonicContact OE1-CZ 3.7Å; E61-R65 IonicContact OE1-NE 2.77Å; E61-R65 PolarHBondContact OE1-NE 2.95Å; E61-R65 IonicContact OE1-NH2 2.64Å; E61-R65 PolarHBondContact OE1-NH2 2.97Å; R65-R69 VanDerWaalsContact O-CD 3.25Å; R65-R69 WeakPolarHBondContact O-CD 3.06Å; R65-R69 WeakPolarHBondContact O-CG 3.2Å; R65-E517 IonicContact CZ-OE1 2.73Å; R65-E517 IonicContact NH1-OE1 3.16Å; R65-E517 PolarHBondContact NH1-OE1 2.94Å; R65-E517 IonicContact NH2-OE1 3.13Å; R65-E517 PolarHBondContact NH2-OE1 3.49Å |
| 66 | L | 86.1 | Confident | 82.8 | Confident | 15 Ų | 15 | 67.8 Ų | 67.8 | 8% | 0.079 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -79.2 | -33.5 | 169.7 | -77.2 | 170 | 0 | 0 | 0 | 112.7 | T62 V63 E64 I70 T82 R85 L86 V89 | T62-L66 WeakPolarHBondContact O-CB 3.32Å; T62-L66 VanDerWaalsContact O-CG 3.27Å; T62-L66 WeakPolarHBondContact O-CG 3.32Å; T62-L66 PolarHBondContact O-N 3.21Å; T62-L66 VanDerWaalsContact O-N 3.09Å; V63-L66 PolarHBondContact O-N 3.34Å; E64-L66 PolarHBondContact O-N 2.93Å; L66-I70 WeakPolarHBondContact O-CD1 3.14Å; L66-I70 VanDerWaalsContact O-CG1 3.31Å; L66-I70 WeakPolarHBondContact O-CG1 3.36Å; L66-I70 PolarHBondContact O-N 3Å; L66-T82 HydrophobicContact CD2-CG2 4.48Å; L66-R85 HydrophobicContact CD1-CB 4.47Å; L66-R85 HydrophobicContact CD2-CB 4.3Å; L66-L86 HydrophobicContact CB-CD1 4.46Å; L66-L86 HydrophobicContact CD1-CB 4.29Å; L66-L86 HydrophobicContact CD1-CD1 4.2Å; L66-V89 HydrophobicContact CD1-CG2 4.31Å |
| 67 | Q | 87.4 | Confident | 83.1 | Confident | 30 Ų | 30 | 75.7 Ų | 75.7 | 14% | 0.14 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -67 | -47.9 | 178.2 | 168.2 | 160.8 | -71.8 | 0 | 0 | 112.3 | V63 E64 R69 I70 Q71 T99 V101 T104 | V63-Q67 WeakPolarHBondContact O-CB 3Å; V63-Q67 PolarHBondContact O-N 3.35Å; E64-Q67 WeakPolarHBondContact O-CA 3.17Å; E64-Q67 WeakPolarHBondContact O-CB 3.41Å; E64-Q67 PolarHBondContact O-N 2.86Å; Q67-R69 VanDerWaalsContact C-N 3.33Å; Q67-R69 PolarHBondContact O-N 3.33Å; Q67-I70 WeakPolarHBondContact O-CB 3.39Å; Q67-I70 PolarHBondContact O-N 3.49Å; Q67-Q71 PolarHBondContact O-N 3.01Å; Q67-T99 PolarHBondContact NE2-O 3Å; Q67-T99 PolarHBondContact OE1-O 3.29Å; Q67-V101 HydrophobicContact CB-CG2 4.33Å; Q67-V101 VanDerWaalsContact OE1-CB 3.24Å; Q67-T104 HydrophobicContact CG-CG2 4.28Å; Q67-T104 PolarHBondContact OE1-OG1 3.34Å |
| 68 | S | 87.6 | Confident | 83.3 | Confident | 59 Ų | 59 | 76 Ų | 76 | 41% | 0.413 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -59.1 | -47.4 | 176.2 | -50.5 | 0 | 0 | 0 | 0 | 110.3 | E64 I70 Q71 D72 | E64-S68 PolarHBondContact O-N 3Å; E64-S68 PolarHBondContact O-OG 3.15Å; S68-I70 PolarHBondContact O-N 2.89Å; S68-Q71 CarbonylContact O-C 3.55Å; S68-Q71 WeakPolarHBondContact O-CA 3.23Å; S68-Q71 PolarHBondContact O-N 2.93Å; S68-D72 PolarHBondContact O-N 3.33Å |
| 69 | R | 84.2 | Confident | 83.4 | Confident | 122 Ų | 122 | 70 Ų | 70 | 46% | 0.46 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.2 | -14.1 | 174.6 | -70 | 177.2 | 63.1 | 177.8 | 5.3 | 115.6 | R65 Q67 T82 | R65-R69 VanDerWaalsContact O-CD 3.25Å; R65-R69 WeakPolarHBondContact O-CD 3.06Å; R65-R69 WeakPolarHBondContact O-CG 3.2Å; Q67-R69 VanDerWaalsContact C-N 3.33Å; Q67-R69 PolarHBondContact O-N 3.33Å; R69-T82 HydrophobicContact CB-CG2 4.3Å |
| 70 | I | 86.4 | Confident | 83.6 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -90.3 | -28.3 | 172.3 | -78.2 | 166.2 | 0 | 0 | 0 | 111.2 | L66 Q67 S68 L79 T82 L83 L86 F108 | L66-I70 WeakPolarHBondContact O-CD1 3.14Å; L66-I70 VanDerWaalsContact O-CG1 3.31Å; L66-I70 WeakPolarHBondContact O-CG1 3.36Å; L66-I70 PolarHBondContact O-N 3Å; Q67-I70 WeakPolarHBondContact O-CB 3.39Å; Q67-I70 PolarHBondContact O-N 3.49Å; S68-I70 PolarHBondContact O-N 2.89Å; I70-L79 HydrophobicContact CB-CD1 4.44Å; I70-L79 HydrophobicContact CG1-CD1 4.15Å; I70-L79 HydrophobicContact CG2-CD1 3.91Å; I70-T82 WeakPolarHBondContact CG1-OG1 3.48Å; I70-L83 HydrophobicContact CD1-CD2 3.77Å; I70-L83 HydrophobicContact CD1-CG 4.22Å; I70-L86 HydrophobicContact CD1-CD2 3.72Å; I70-F108 HydrophobicContact CG2-CD2 3.98Å; I70-F108 HydrophobicContact CG2-CE2 3.26Å; I70-F108 HydrophobicContact CG2-CZ 3.73Å; I70-F108 WeakPolarHBondContact O-CZ 3.35Å |
| 71 | Q | 83.2 | Confident | 83.7 | Confident | 115 Ų | 115 | 76.1 Ų | 76.1 | 54% | 0.537 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -81.8 | -46 | 174.1 | -60.8 | -179 | 27.6 | 0 | 0 | 111.5 | Q67 S68 N73 | Q67-Q71 PolarHBondContact O-N 3.01Å; S68-Q71 CarbonylContact O-C 3.55Å; S68-Q71 WeakPolarHBondContact O-CA 3.23Å; S68-Q71 PolarHBondContact O-N 2.93Å; Q71-N73 VanDerWaalsContact C-N 3.31Å; Q71-N73 PolarHBondContact O-N 2.97Å |
| 72 | D | 81.2 | Confident | 83.8 | Confident | 110 Ų | 110 | 71.9 Ų | 71.9 | 59% | 0.588 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -72.6 | -19.1 | -173.2 | -54.5 | -37 | 0 | 0 | 0 | 114 | S68 | S68-D72 PolarHBondContact O-N 3.33Š|
| 73 | N | 75.4 | Confident | 83.9 | Confident | 64 Ų | 64 | 69.3 Ų | 69.3 | 34% | 0.342 | 33% | 0.327 | S | S | . | . | trans | -134.7 | 77.8 | -170.6 | -87.5 | -110.3 | 0 | 0 | 0 | 111.8 | Q71 E75 K78 | Q71-N73 VanDerWaalsContact C-N 3.31Å; Q71-N73 PolarHBondContact O-N 2.97Å; N73-E75 PolarHBondContact O-N 2.93Å; N73-K78 HydrophobicContact CB-CD 4.4Å; N73-K78 WeakPolarHBondContact OD1-CD 3.4Å; N73-K78 PolarHBondContact OD1-NZ 3.42Å | ||
| 74 | P | 71.7 | Confident | 84 | Confident | 93 Ų | 93 | 74.4 Ų | 74.4 | 60% | 0.604 | 35% | 0.35 | S | S | * | . | trans | -72.4 | 18.2 | 178.8 | 31.5 | -37.1 | 0 | 0 | 0 | 114.8 | ||||
| 75 | E | 81 | Confident | 84 | Confident | 96 Ų | 96 | 77.3 Ų | 77.3 | 45% | 0.449 | 36% | 0.357 | S | S | . | . | trans | -71.4 | 122.9 | 172.1 | -101.4 | -177.2 | -126.6 | 0 | 0 | 110.4 | N73 R77 K78 L79 | N73-E75 PolarHBondContact O-N 2.93Å; E75-R77 PolarHBondContact O-N 2.86Å; E75-R77 VanDerWaalsContact O-N 3.12Å; E75-K78 HydrophobicContact CB-CB 4.06Å; E75-K78 HydrophobicContact CB-CD 3.95Å; E75-K78 HydrophobicContact CB-CG 4.04Å; E75-K78 VanDerWaalsContact CD-CE 3.47Å; E75-K78 VanDerWaalsContact CD-NZ 3.27Å; E75-K78 HydrophobicContact CG-CD 4.47Å; E75-K78 PolarHBondContact O-N 3.42Å; E75-K78 WeakPolarHBondContact OE1-CE 3.26Å; E75-K78 IonicContact OE1-NZ 3.15Å; E75-K78 PolarHBondContact OE1-NZ 3.01Å; E75-K78 WeakPolarHBondContact OE2-CD 3.12Å; E75-K78 WeakPolarHBondContact OE2-CE 3.34Å; E75-K78 IonicContact OE2-NZ 2.75Å; E75-K78 PolarHBondContact OE2-NZ 2.78Å; E75-L79 WeakPolarHBondContact O-CB 3.27Å; E75-L79 PolarHBondContact O-N 2.92Å | ||
| 76 | P | 76.6 | Confident | 84 | Confident | 42 Ų | 42 | 71.9 Ų | 71.9 | 27% | 0.273 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60 | -34 | -174.2 | 20.7 | -32.2 | 0 | 0 | 0 | 112.9 | K78 L80 D113 V114 | P76-K78 VanDerWaalsContact C-N 3.35Å; P76-K78 PolarHBondContact O-N 3.04Å; P76-L80 WeakPolarHBondContact O-CB 3.41Å; P76-L80 PolarHBondContact O-N 2.78Å; P76-D113 HydrophobicContact CB-CB 3.79Å; P76-D113 WeakPolarHBondContact CB-OD2 3.32Å; P76-D113 WeakPolarHBondContact CG-OD2 3.38Å; P76-V114 HydrophobicContact CB-CG2 4.37Å |
| 77 | R | 79.4 | Confident | 84 | Confident | 209 Ų | 209 | 71.8 Ų | 71.8 | 79% | 0.789 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -71.2 | -24.6 | 177.3 | -64.6 | -177.7 | 179.1 | -173.9 | 0.6 | 114 | E75 K81 | E75-R77 PolarHBondContact O-N 2.86Å; E75-R77 VanDerWaalsContact O-N 3.12Å; R77-K81 WeakPolarHBondContact O-CG 3.4Å |
| 78 | K | 83.8 | Confident | 84 | Confident | 88 Ų | 88 | 77.3 Ų | 77.3 | 38% | 0.383 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -86.7 | -47.4 | 174.3 | -68.2 | 177.2 | -176.4 | 157.7 | 0 | 109.8 | N73 E75 P76 L80 K81 T82 | N73-K78 HydrophobicContact CB-CD 4.4Å; N73-K78 WeakPolarHBondContact OD1-CD 3.4Å; N73-K78 PolarHBondContact OD1-NZ 3.42Å; E75-K78 HydrophobicContact CB-CB 4.06Å; E75-K78 HydrophobicContact CB-CD 3.95Å; E75-K78 HydrophobicContact CB-CG 4.04Å; E75-K78 VanDerWaalsContact CD-CE 3.47Å; E75-K78 VanDerWaalsContact CD-NZ 3.27Å; E75-K78 HydrophobicContact CG-CD 4.47Å; E75-K78 PolarHBondContact O-N 3.42Å; E75-K78 WeakPolarHBondContact OE1-CE 3.26Å; E75-K78 IonicContact OE1-NZ 3.15Å; E75-K78 PolarHBondContact OE1-NZ 3.01Å; E75-K78 WeakPolarHBondContact OE2-CD 3.12Å; E75-K78 WeakPolarHBondContact OE2-CE 3.34Å; E75-K78 IonicContact OE2-NZ 2.75Å; E75-K78 PolarHBondContact OE2-NZ 2.78Å; P76-K78 VanDerWaalsContact C-N 3.35Å; P76-K78 PolarHBondContact O-N 3.04Å; K78-L80 VanDerWaalsContact C-N 3.33Å; K78-L80 PolarHBondContact O-N 3.48Å; K78-K81 WeakPolarHBondContact O-CA 3.42Å; K78-K81 WeakPolarHBondContact O-CB 3.39Å; K78-K81 PolarHBondContact O-N 3.21Å; K78-T82 PolarHBondContact O-N 3.11Å; K78-T82 PolarHBondContact O-OG1 3.24Å |
| 79 | L | 86.1 | Confident | 83.9 | Confident | 0 Ų | 0 | 75.9 Ų | 75.9 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -53.4 | -43.8 | 174.5 | 179.5 | 60.9 | 0 | 0 | 0 | 112.8 | I70 E75 K81 T82 L83 F108 V114 | I70-L79 HydrophobicContact CB-CD1 4.44Å; I70-L79 HydrophobicContact CG1-CD1 4.15Å; I70-L79 HydrophobicContact CG2-CD1 3.91Å; E75-L79 WeakPolarHBondContact O-CB 3.27Å; E75-L79 PolarHBondContact O-N 2.92Å; L79-K81 VanDerWaalsContact C-N 3.28Å; L79-K81 PolarHBondContact O-N 3.25Å; L79-T82 WeakPolarHBondContact CA-OG1 3.31Å; L79-T82 PolarHBondContact O-N 3.35Å; L79-T82 PolarHBondContact O-OG1 2.9Å; L79-T82 VanDerWaalsContact O-OG1 3.04Å; L79-L83 HydrophobicContact CD1-CD1 3.77Å; L79-L83 HydrophobicContact CD1-CG 4.04Å; L79-L83 HydrophobicContact CG-CD1 3.97Å; L79-L83 WeakPolarHBondContact O-CB 3.37Å; L79-L83 WeakPolarHBondContact O-CG 3.38Å; L79-L83 PolarHBondContact O-N 3.33Å; L79-F108 HydrophobicContact CD1-CD1 4.13Å; L79-F108 HydrophobicContact CD1-CE1 4.07Å; L79-F108 HydrophobicContact CD1-CG 4.35Å; L79-F108 HydrophobicContact CD1-CZ 4.27Å; L79-F108 HydrophobicContact CD2-CD1 3.49Å; L79-F108 VanDerWaalsContact CD2-CD1 3.49Å; L79-F108 HydrophobicContact CD2-CE1 3.72Å; L79-F108 HydrophobicContact CD2-CG 4.27Å; L79-F108 HydrophobicContact CG-CD1 4.43Å; L79-V114 HydrophobicContact CB-CG2 4.49Å; L79-V114 HydrophobicContact CD2-CB 4.3Å; L79-V114 HydrophobicContact CD2-CG2 3.84Å; L79-V114 HydrophobicContact CG-CB 4.43Å; L79-V114 HydrophobicContact CG-CG1 4.39Å; L79-V114 HydrophobicContact CG-CG2 4.09Å |
| 80 | L | 86.6 | Confident | 83.5 | Confident | 52 Ų | 52 | 78 Ų | 78 | 27% | 0.272 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -66.7 | -26.4 | 176.7 | -174.1 | 146.1 | 0 | 0 | 0 | 113.2 | P76 K78 K84 V114 L117 | P76-L80 WeakPolarHBondContact O-CB 3.41Å; P76-L80 PolarHBondContact O-N 2.78Å; K78-L80 VanDerWaalsContact C-N 3.33Å; K78-L80 PolarHBondContact O-N 3.48Å; L80-K84 HydrophobicContact CD2-CD 4.09Å; L80-K84 VanDerWaalsContact O-CG 3.26Å; L80-K84 WeakPolarHBondContact O-CG 3.24Å; L80-K84 PolarHBondContact O-N 3.22Å; L80-V114 HydrophobicContact CB-CG1 3.87Å; L80-V114 HydrophobicContact CB-CG2 4.35Å; L80-V114 HydrophobicContact CD1-CG1 4.37Å; L80-V114 HydrophobicContact CG-CG1 4.23Å; L80-L117 HydrophobicContact CD1-CD1 3.94Å; L80-L117 HydrophobicContact CG-CD1 3.75Å |
| 81 | K | 87.7 | Confident | 83.3 | Confident | 148 Ų | 148 | 78.6 Ų | 78.6 | 64% | 0.643 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -80.8 | -41 | 174.4 | -68.5 | 174.7 | -177.9 | 179.9 | 0 | 112 | R77 K78 L79 K84 R85 | R77-K81 WeakPolarHBondContact O-CG 3.4Å; K78-K81 WeakPolarHBondContact O-CA 3.42Å; K78-K81 WeakPolarHBondContact O-CB 3.39Å; K78-K81 PolarHBondContact O-N 3.21Å; L79-K81 VanDerWaalsContact C-N 3.28Å; L79-K81 PolarHBondContact O-N 3.25Å; K81-K84 PolarHBondContact O-N 2.6Å; K81-R85 PolarHBondContact O-N 2.81Å |
| 82 | T | 87.7 | Confident | 83.3 | Confident | 7 Ų | 7 | 76 Ų | 76 | 4% | 0.043 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -68.5 | -43.1 | 177.5 | 48.6 | 0 | 0 | 0 | 0 | 111.4 | L66 R69 I70 K78 L79 K84 R85 L86 | L66-T82 HydrophobicContact CD2-CG2 4.48Å; R69-T82 HydrophobicContact CB-CG2 4.3Å; I70-T82 WeakPolarHBondContact CG1-OG1 3.48Å; K78-T82 PolarHBondContact O-N 3.11Å; K78-T82 PolarHBondContact O-OG1 3.24Å; L79-T82 WeakPolarHBondContact CA-OG1 3.31Å; L79-T82 PolarHBondContact O-N 3.35Å; L79-T82 PolarHBondContact O-OG1 2.9Å; L79-T82 VanDerWaalsContact O-OG1 3.04Å; T82-K84 VanDerWaalsContact C-N 3.33Å; T82-K84 PolarHBondContact O-N 3.27Å; T82-R85 PolarHBondContact O-N 3.34Å; T82-L86 WeakPolarHBondContact O-CB 3.3Å; T82-L86 PolarHBondContact O-N 3.49Å |
| 83 | L | 87.4 | Confident | 83.4 | Confident | 1 Ų | 1 | 72.7 Ų | 72.7 | 1% | 0.005 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.8 | -33.5 | 175.1 | -73.6 | 174.7 | 0 | 0 | 0 | 113.1 | I70 L79 L86 G87 V105 V114 L121 | I70-L83 HydrophobicContact CD1-CD2 3.77Å; I70-L83 HydrophobicContact CD1-CG 4.22Å; L79-L83 HydrophobicContact CD1-CD1 3.77Å; L79-L83 HydrophobicContact CD1-CG 4.04Å; L79-L83 HydrophobicContact CG-CD1 3.97Å; L79-L83 WeakPolarHBondContact O-CB 3.37Å; L79-L83 WeakPolarHBondContact O-CG 3.38Å; L79-L83 PolarHBondContact O-N 3.33Å; L83-L86 HydrophobicContact CD2-CD2 4.23Å; L83-L86 PolarHBondContact O-N 2.82Å; L83-G87 PolarHBondContact O-N 3.05Å; L83-V105 HydrophobicContact CD2-CB 4.37Å; L83-V105 HydrophobicContact CD2-CG1 3.88Å; L83-V105 HydrophobicContact CD2-CG2 3.67Å; L83-V114 HydrophobicContact CD1-CB 4.4Å; L83-V114 HydrophobicContact CD1-CG1 3.64Å; L83-L121 HydrophobicContact CB-CD1 4.01Å; L83-L121 HydrophobicContact CD2-CD1 3.92Å; L83-L121 WeakPolarHBondContact O-CD1 3.25Å |
| 84 | K | 88.7 | Confident | 83.7 | Confident | 107 Ų | 107 | 75.1 Ų | 75.1 | 47% | 0.465 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.4 | -49.5 | 172.2 | -80.2 | 178 | -179.9 | -175.3 | 0 | 112.1 | L80 K81 T82 L86 G87 E88 L117 | L80-K84 HydrophobicContact CD2-CD 4.09Å; L80-K84 VanDerWaalsContact O-CG 3.26Å; L80-K84 WeakPolarHBondContact O-CG 3.24Å; L80-K84 PolarHBondContact O-N 3.22Å; K81-K84 PolarHBondContact O-N 2.6Å; T82-K84 VanDerWaalsContact C-N 3.33Å; T82-K84 PolarHBondContact O-N 3.27Å; K84-L86 VanDerWaalsContact C-N 3.31Å; K84-L86 PolarHBondContact O-N 3.16Å; K84-G87 WeakPolarHBondContact O-CA 3.5Å; K84-G87 PolarHBondContact O-N 3.03Å; K84-E88 WeakPolarHBondContact O-CG 3.43Å; K84-E88 PolarHBondContact O-N 2.86Å; K84-E88 VanDerWaalsContact O-N 3.11Å; K84-L117 HydrophobicContact CG-CD1 4.41Å |
| 85 | R | 87.3 | Confident | 84.3 | Confident | 152 Ų | 152 | 71.1 Ų | 71.1 | 57% | 0.574 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -57.7 | -42.7 | 174.2 | -74.5 | -172.8 | 172.5 | -157.6 | -1.8 | 112.3 | L66 K81 T82 G87 E88 V89 | L66-R85 HydrophobicContact CD1-CB 4.47Å; L66-R85 HydrophobicContact CD2-CB 4.3Å; K81-R85 PolarHBondContact O-N 2.81Å; T82-R85 PolarHBondContact O-N 3.34Å; R85-G87 PolarHBondContact O-N 3.16Å; R85-E88 WeakPolarHBondContact O-CB 3.4Å; R85-E88 PolarHBondContact O-N 2.9Å; R85-V89 WeakPolarHBondContact O-CG2 3.47Å; R85-V89 PolarHBondContact O-N 2.92Å; R85-V89 VanDerWaalsContact O-N 3.09Å |
| 86 | L | 88.4 | Confident | 84.5 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65 | -20.5 | 176.4 | -172.5 | 58.5 | 0 | 0 | 0 | 113.2 | V63 L66 I70 T82 L83 K84 M91 V101 V105 W125 | V63-L86 HydrophobicContact CG1-CD1 4.21Å; V63-L86 HydrophobicContact CG2-CD1 4.25Å; L66-L86 HydrophobicContact CB-CD1 4.46Å; L66-L86 HydrophobicContact CD1-CB 4.29Å; L66-L86 HydrophobicContact CD1-CD1 4.2Å; I70-L86 HydrophobicContact CD1-CD2 3.72Å; T82-L86 WeakPolarHBondContact O-CB 3.3Å; T82-L86 PolarHBondContact O-N 3.49Å; L83-L86 HydrophobicContact CD2-CD2 4.23Å; L83-L86 PolarHBondContact O-N 2.82Å; K84-L86 VanDerWaalsContact C-N 3.31Å; K84-L86 PolarHBondContact O-N 3.16Å; L86-M91 HydrophobicContact CD1-CE 4.06Å; L86-V101 HydrophobicContact CD1-CG2 4.41Å; L86-V101 HydrophobicContact CD2-CG2 3.79Å; L86-V105 HydrophobicContact CD2-CG2 3.78Å; L86-W125 HydrophobicContact CD1-CZ2 4.4Å; L86-W125 HydrophobicContact CD2-CH2 3.93Å; L86-W125 HydrophobicContact CD2-CZ2 4.41Å; L86-W125 HydrophobicContact CG-CH2 3.97Å; L86-W125 HydrophobicContact CG-CZ2 3.93Å |
| 87 | G | 86.5 | Confident | 84.9 | Confident | 13 Ų | 13 | 71.2 Ų | 71.2 | 13% | 0.134 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -84.1 | -22.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | L83 K84 R85 K124 | L83-G87 PolarHBondContact O-N 3.05Å; K84-G87 WeakPolarHBondContact O-CA 3.5Å; K84-G87 PolarHBondContact O-N 3.03Å; R85-G87 PolarHBondContact O-N 3.16Å; G87-K124 PolarHBondContact O-NZ 3.49Å |
| 88 | E | 88.1 | Confident | 85.2 | Confident | 145 Ų | 145 | 69.4 Ų | 69.4 | 68% | 0.678 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -80.9 | -32.8 | 176.6 | -68.6 | 157 | -170.9 | 0 | 0 | 111.5 | K84 R85 | K84-E88 WeakPolarHBondContact O-CG 3.43Å; K84-E88 PolarHBondContact O-N 2.86Å; K84-E88 VanDerWaalsContact O-N 3.11Å; R85-E88 WeakPolarHBondContact O-CB 3.4Å; R85-E88 PolarHBondContact O-N 2.9Å |
| 89 | V | 85.2 | Confident | 85.2 | Confident | 30 Ų | 30 | 65.7 Ų | 65.7 | 18% | 0.182 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -59.4 | 139.1 | 173.6 | 174.8 | 0 | 0 | 0 | 0 | 111.6 | L59 V63 L66 R85 M91 | L59-V89 HydrophobicContact CD2-CG1 4.06Å; V63-V89 HydrophobicContact CG2-CG1 4.02Å; L66-V89 HydrophobicContact CD1-CG2 4.31Å; R85-V89 WeakPolarHBondContact O-CG2 3.47Å; R85-V89 PolarHBondContact O-N 2.92Å; R85-V89 VanDerWaalsContact O-N 3.09Å; V89-M91 VanDerWaalsContact C-N 3.33Å; V89-M91 PolarHBondContact O-N 3.32Å |
| 90 | Q | 76 | Confident | 85.2 | Confident | 165 Ų | 165 | 66.7 Ų | 66.7 | 77% | 0.771 | 33% | 0.327 | S | S | * | . | trans | -76.4 | 81.7 | 173.9 | -67.1 | -160 | 87.1 | 0 | 0 | 111.1 | ||||
| 91 | M | 81.6 | Confident | 85.2 | Confident | 14 Ų | 14 | 64.2 Ų | 64.2 | 7% | 0.069 | 31% | 0.314 | C | S | . | . | trans | -61.5 | 136 | 174.6 | -169.7 | 60.9 | 62.2 | 0 | 0 | 111.5 | V63 L86 V89 I95 L96 V101 W125 L128 | V63-M91 HydrophobicContact CG1-CE 4.05Å; V63-M91 HydrophobicContact CG2-CE 3.91Å; L86-M91 HydrophobicContact CD1-CE 4.06Å; V89-M91 VanDerWaalsContact C-N 3.33Å; V89-M91 PolarHBondContact O-N 3.32Å; M91-I95 HydrophobicContact CE-CG2 4.4Å; M91-I95 HydrophobicContact SD-CB 4.03Å; M91-I95 HydrophobicContact SD-CG2 3.54Å; M91-I95 VanDerWaalsContact SD-CG2 3.54Å; M91-L96 HydrophobicContact CG-CB 4.33Å; M91-L96 HydrophobicContact CG-CD1 4.44Å; M91-L96 HydrophobicContact SD-CB 4.12Å; M91-L96 HydrophobicContact SD-CD1 4.34Å; M91-V101 HydrophobicContact CE-CG1 3.8Å; M91-V101 HydrophobicContact SD-CG1 4.37Å; M91-W125 HydrophobicContact CE-CH2 4.34Å; M91-W125 HydrophobicContact CE-CZ2 3.75Å; M91-W125 HydrophobicContact CG-CD2 4.44Å; M91-W125 HydrophobicContact CG-CG 4.26Å; M91-L128 HydrophobicContact CB-CD1 4.25Å; M91-L128 WeakPolarHBondContact O-CD1 3.34Å | ||
| 92 | T | 83.6 | Confident | 85.1 | Confident | 60 Ų | 60 | 58.2 Ų | 58.2 | 37% | 0.368 | 29% | 0.294 | S | S | . | . | trans | -112.7 | 169.9 | 168 | 69.8 | 0 | 0 | 0 | 0 | 110.6 | I95 L96 | T92-I95 HydrophobicContact CG2-CD1 4.26Å; T92-I95 WeakPolarHBondContact OG1-CD1 3.43Å; T92-I95 VanDerWaalsContact OG1-CG1 3.27Å; T92-I95 WeakPolarHBondContact OG1-CG1 3.41Å; T92-I95 PolarHBondContact OG1-N 3.35Å; T92-L96 WeakPolarHBondContact O-CB 3.25Å; T92-L96 PolarHBondContact O-N 2.9Å; T92-L96 VanDerWaalsContact O-N 3.08Å | ||
| 93 | V | 83.6 | Confident | 85.1 | Confident | 41 Ų | 41 | 66.2 Ų | 66.2 | 25% | 0.248 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64 | -43.7 | 176.9 | -178.6 | 0 | 0 | 0 | 0 | 110.7 | I95 L96 V97 L128 V129 | V93-I95 PolarHBondContact O-N 2.97Å; V93-L96 WeakPolarHBondContact O-CB 3.21Å; V93-L96 PolarHBondContact O-N 3.49Å; V93-V97 HydrophobicContact CG1-CG2 4.4Å; V93-V97 WeakPolarHBondContact O-CG2 3.41Å; V93-V97 PolarHBondContact O-N 3.39Å; V93-L128 WeakPolarHBondContact CG2-O 3.33Å; V93-V129 HydrophobicContact CG1-CG2 4.4Å; V93-V129 HydrophobicContact CG2-CG2 4.42Å |
| 94 | D | 81.8 | Confident | 85.1 | Confident | 114 Ų | 114 | 67.3 Ų | 67.3 | 61% | 0.61 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -66.3 | -39.7 | -176.7 | -45.1 | -82.8 | 0 | 0 | 0 | 111.5 | V97 R98 | D94-V97 PolarHBondContact O-N 3.23Å; D94-R98 WeakPolarHBondContact O-CB 3.4Å; D94-R98 VanDerWaalsContact O-CG 3.3Å; D94-R98 WeakPolarHBondContact O-CG 3.34Å; D94-R98 PolarHBondContact O-N 3.09Å |
| 95 | I | 83.2 | Confident | 85.1 | Confident | 9 Ų | 9 | 62.2 Ų | 62.2 | 5% | 0.046 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.3 | -44.3 | 172.9 | -66.3 | 170.5 | 0 | 0 | 0 | 110.5 | L59 L60 V63 M91 T92 V93 V97 R98 T99 | L59-I95 HydrophobicContact CB-CD1 3.79Å; L60-I95 HydrophobicContact CD2-CB 4.14Å; L60-I95 HydrophobicContact CD2-CG1 3.86Å; L60-I95 HydrophobicContact CD2-CG2 4.13Å; L60-I95 HydrophobicContact CG-CG1 4.09Å; V63-I95 HydrophobicContact CB-CG2 4.24Å; V63-I95 HydrophobicContact CG1-CG2 4.26Å; V63-I95 HydrophobicContact CG2-CG2 4.01Å; M91-I95 HydrophobicContact CE-CG2 4.4Å; M91-I95 HydrophobicContact SD-CB 4.03Å; M91-I95 HydrophobicContact SD-CG2 3.54Å; M91-I95 VanDerWaalsContact SD-CG2 3.54Å; T92-I95 HydrophobicContact CG2-CD1 4.26Å; T92-I95 WeakPolarHBondContact OG1-CD1 3.43Å; T92-I95 VanDerWaalsContact OG1-CG1 3.27Å; T92-I95 WeakPolarHBondContact OG1-CG1 3.41Å; T92-I95 PolarHBondContact OG1-N 3.35Å; V93-I95 PolarHBondContact O-N 2.97Å; I95-V97 VanDerWaalsContact C-N 3.29Å; I95-V97 PolarHBondContact O-N 3.19Å; I95-R98 PolarHBondContact O-N 3.48Å; I95-T99 HydrophobicContact CG2-CG2 4.14Å; I95-T99 WeakPolarHBondContact O-CB 3.41Å; I95-T99 WeakPolarHBondContact O-CG2 3.48Å; I95-T99 PolarHBondContact O-N 3.37Å; I95-T99 PolarHBondContact O-OG1 3.11Å |
| 96 | L | 85.7 | Confident | 85.3 | Confident | 28 Ų | 28 | 58.3 Ų | 58.3 | 15% | 0.147 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.2 | -34.6 | 179.2 | -172.3 | 70.8 | 0 | 0 | 0 | 112.5 | M91 T92 V93 G100 V101 W125 V129 | M91-L96 HydrophobicContact CG-CB 4.33Å; M91-L96 HydrophobicContact CG-CD1 4.44Å; M91-L96 HydrophobicContact SD-CB 4.12Å; M91-L96 HydrophobicContact SD-CD1 4.34Å; T92-L96 WeakPolarHBondContact O-CB 3.25Å; T92-L96 PolarHBondContact O-N 2.9Å; T92-L96 VanDerWaalsContact O-N 3.08Å; V93-L96 WeakPolarHBondContact O-CB 3.21Å; V93-L96 PolarHBondContact O-N 3.49Å; L96-G100 PolarHBondContact O-N 3.4Å; L96-V101 HydrophobicContact CD1-CG1 3.89Å; L96-W125 HydrophobicContact CD1-CB 4.41Å; L96-W125 HydrophobicContact CD1-CD2 3.92Å; L96-W125 HydrophobicContact CD1-CE3 3.6Å; L96-W125 HydrophobicContact CD1-CG 4.29Å; L96-W125 HydrophobicContact CD1-CZ3 4.1Å; L96-W125 HydrophobicContact CD2-CB 3.97Å; L96-V129 HydrophobicContact CD2-CG2 4.16Å |
| 97 | V | 85.1 | Confident | 85.3 | Confident | 112 Ų | 112 | 61.9 Ų | 61.9 | 68% | 0.679 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -76.7 | -48 | 176.7 | 171.8 | 0 | 0 | 0 | 0 | 111.6 | V93 D94 I95 | V93-V97 HydrophobicContact CG1-CG2 4.4Å; V93-V97 WeakPolarHBondContact O-CG2 3.41Å; V93-V97 PolarHBondContact O-N 3.39Å; D94-V97 PolarHBondContact O-N 3.23Å; I95-V97 VanDerWaalsContact C-N 3.29Å; I95-V97 PolarHBondContact O-N 3.19Å |
| 98 | R | 84.4 | Confident | 85.4 | Confident | 171 Ų | 171 | 62.8 Ų | 62.8 | 65% | 0.645 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -64.8 | -47.3 | -178.4 | -72.3 | 176.6 | 76.9 | -179.5 | -2.1 | 112.3 | L60 D94 I95 | L60-R98 VanDerWaalsContact CD1-CZ 3.47Å; L60-R98 VanDerWaalsContact CD1-NH1 3.3Å; L60-R98 HydrophobicContact CD2-CB 3.91Å; D94-R98 WeakPolarHBondContact O-CB 3.4Å; D94-R98 VanDerWaalsContact O-CG 3.3Å; D94-R98 WeakPolarHBondContact O-CG 3.34Å; D94-R98 PolarHBondContact O-N 3.09Å; I95-R98 PolarHBondContact O-N 3.48Å |
| 99 | T | 84.8 | Confident | 85.4 | Confident | 10 Ų | 10 | 61 Ų | 61 | 6% | 0.061 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -79.3 | -22.8 | -176.9 | 63.3 | 0 | 0 | 0 | 0 | 113.9 | L60 V63 E64 Q67 I95 V101 | L60-T99 HydrophobicContact CD2-CG2 3.79Å; V63-T99 HydrophobicContact CB-CG2 4.29Å; V63-T99 HydrophobicContact CG1-CG2 3.84Å; E64-T99 HydrophobicContact CG-CG2 3.73Å; Q67-T99 PolarHBondContact NE2-O 3Å; Q67-T99 PolarHBondContact OE1-O 3.29Å; I95-T99 HydrophobicContact CG2-CG2 4.14Å; I95-T99 WeakPolarHBondContact O-CB 3.41Å; I95-T99 WeakPolarHBondContact O-CG2 3.48Å; I95-T99 PolarHBondContact O-N 3.37Å; I95-T99 PolarHBondContact O-OG1 3.11Å; T99-V101 PolarHBondContact O-N 2.97Å; T99-V101 WeakPolarHBondContact OG1-CG1 3.49Å; T99-V101 PolarHBondContact OG1-N 2.91Å |
| 100 | G | 85.4 | Confident | 85.5 | Confident | 21 Ų | 21 | 69.1 Ų | 69.1 | 22% | 0.216 | 35% | 0.349 | C | S | . | . | trans | 69.8 | 7.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | L96 G102 K103 | L96-G100 PolarHBondContact O-N 3.4Å; G100-G102 PolarHBondContact O-N 2.71Å; G100-K103 WeakPolarHBondContact O-CB 3.41Å; G100-K103 PolarHBondContact O-N 3.1Å | ||
| 101 | V | 86.7 | Confident | 86 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.2 | -20.6 | -171.3 | 75 | 0 | 0 | 0 | 0 | 114.9 | V63 Q67 L86 M91 L96 T99 K103 T104 V105 W125 | V63-V101 HydrophobicContact CG1-CB 4.1Å; V63-V101 HydrophobicContact CG1-CG1 3.85Å; V63-V101 HydrophobicContact CG1-CG2 4.32Å; Q67-V101 HydrophobicContact CB-CG2 4.33Å; Q67-V101 VanDerWaalsContact OE1-CB 3.24Å; L86-V101 HydrophobicContact CD1-CG2 4.41Å; L86-V101 HydrophobicContact CD2-CG2 3.79Å; M91-V101 HydrophobicContact CE-CG1 3.8Å; M91-V101 HydrophobicContact SD-CG1 4.37Å; L96-V101 HydrophobicContact CD1-CG1 3.89Å; T99-V101 PolarHBondContact O-N 2.97Å; T99-V101 WeakPolarHBondContact OG1-CG1 3.49Å; T99-V101 PolarHBondContact OG1-N 2.91Å; V101-K103 PolarHBondContact O-N 3.04Å; V101-T104 WeakPolarHBondContact CA-OG1 3.15Å; V101-T104 PolarHBondContact O-N 3.06Å; V101-T104 PolarHBondContact O-OG1 2.91Å; V101-V105 HydrophobicContact CG2-CG2 4.15Å; V101-V105 WeakPolarHBondContact O-CG2 3.12Å; V101-V105 PolarHBondContact O-N 3.08Å; V101-V105 VanDerWaalsContact O-N 3.09Å; V101-W125 HydrophobicContact CG1-CH2 4.03Å; V101-W125 HydrophobicContact CG1-CZ3 4.17Å; V101-W125 HydrophobicContact CG2-CH2 4.33Å |
| 102 | G | 86.7 | Confident | 86.2 | Confident | 23 Ų | 23 | 70.6 Ų | 70.6 | 24% | 0.237 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -59.2 | -32.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | G100 N106 | G100-G102 PolarHBondContact O-N 2.71Å; G102-N106 WeakPolarHBondContact O-CB 3.32Å; G102-N106 PolarHBondContact O-N 3.49Å |
| 103 | K | 87.8 | Confident | 86.2 | Confident | 174 Ų | 174 | 72.9 Ų | 72.9 | 76% | 0.757 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -75.1 | -45.2 | 178.7 | -62.1 | 178 | -178 | 175.2 | 0 | 111.5 | G100 V101 N106 S107 | G100-K103 WeakPolarHBondContact O-CB 3.41Å; G100-K103 PolarHBondContact O-N 3.1Å; V101-K103 PolarHBondContact O-N 3.04Å; K103-N106 PolarHBondContact O-N 3.18Å; K103-S107 PolarHBondContact O-N 3.47Å |
| 104 | T | 87.3 | Confident | 86.4 | Confident | 24 Ų | 24 | 71 Ų | 71 | 15% | 0.147 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.5 | -50.8 | -178.7 | 56.9 | 0 | 0 | 0 | 0 | 110.4 | Q67 V101 N106 S107 F108 | Q67-T104 HydrophobicContact CG-CG2 4.28Å; Q67-T104 PolarHBondContact OE1-OG1 3.34Å; V101-T104 WeakPolarHBondContact CA-OG1 3.15Å; V101-T104 PolarHBondContact O-N 3.06Å; V101-T104 PolarHBondContact O-OG1 2.91Å; T104-N106 PolarHBondContact O-N 2.89Å; T104-S107 PolarHBondContact O-N 3.45Å; T104-S107 VanDerWaalsContact O-N 3.12Å; T104-S107 PolarHBondContact O-OG 3.36Å; T104-F108 WeakPolarHBondContact O-CD2 3.34Å |
| 105 | V | 88.5 | Confident | 86.8 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.4 | -28.1 | 176.5 | -179 | 0 | 0 | 0 | 0 | 112.3 | L83 L86 V101 S107 F108 A118 L121 V122 W125 | L83-V105 HydrophobicContact CD2-CB 4.37Å; L83-V105 HydrophobicContact CD2-CG1 3.88Å; L83-V105 HydrophobicContact CD2-CG2 3.67Å; L86-V105 HydrophobicContact CD2-CG2 3.78Å; V101-V105 HydrophobicContact CG2-CG2 4.15Å; V101-V105 WeakPolarHBondContact O-CG2 3.12Å; V101-V105 PolarHBondContact O-N 3.08Å; V101-V105 VanDerWaalsContact O-N 3.09Å; V105-S107 VanDerWaalsContact C-N 3.35Å; V105-S107 PolarHBondContact O-N 3.12Å; V105-F108 PolarHBondContact O-N 3.22Å; V105-A118 HydrophobicContact CG1-CB 4.04Å; V105-L121 HydrophobicContact CG1-CB 4.21Å; V105-L121 HydrophobicContact CG1-CD1 4.23Å; V105-V122 HydrophobicContact CG1-CG2 4.2Å; V105-W125 HydrophobicContact CB-CH2 4.29Å; V105-W125 HydrophobicContact CB-CZ3 3.92Å; V105-W125 HydrophobicContact CG1-CZ3 4.31Å; V105-W125 HydrophobicContact CG2-CH2 3.79Å; V105-W125 HydrophobicContact CG2-CZ3 3.88Å |
| 106 | N | 90.2 | Very high | 87.1 | Confident | 71 Ų | 71 | 72.8 Ų | 72.8 | 38% | 0.38 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -68.6 | -26.6 | 176.1 | -179.5 | 76.8 | 0 | 0 | 0 | 113.8 | G102 K103 T104 R109 V122 | G102-N106 WeakPolarHBondContact O-CB 3.32Å; G102-N106 PolarHBondContact O-N 3.49Å; K103-N106 PolarHBondContact O-N 3.18Å; T104-N106 PolarHBondContact O-N 2.89Å; N106-R109 WeakPolarHBondContact O-CB 3.42Å; N106-R109 WeakPolarHBondContact O-CD 3.25Å; N106-R109 WeakPolarHBondContact O-CG 3.36Å; N106-R109 PolarHBondContact O-N 3.3Å; N106-R109 WeakPolarHBondContact OD1-CD 3.38Å; N106-R109 PolarHBondContact OD1-NH1 2.93Å; N106-V122 HydrophobicContact CB-CG2 4.32Å |
| 107 | S | 90.3 | Very high | 87.2 | Confident | 75 Ų | 75 | 74 Ų | 74 | 52% | 0.524 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -68.8 | -42.5 | 175.1 | 72.1 | 0 | 0 | 0 | 0 | 111.6 | K103 T104 V105 R109 K110 | K103-S107 PolarHBondContact O-N 3.47Å; T104-S107 PolarHBondContact O-N 3.45Å; T104-S107 VanDerWaalsContact O-N 3.12Å; T104-S107 PolarHBondContact O-OG 3.36Å; V105-S107 VanDerWaalsContact C-N 3.35Å; V105-S107 PolarHBondContact O-N 3.12Å; S107-R109 PolarHBondContact O-N 3.26Å; S107-K110 PolarHBondContact O-N 2.81Å |
| 108 | F | 88 | Confident | 87.4 | Confident | 32 Ų | 32 | 68.6 Ų | 68.6 | 14% | 0.14 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -64.9 | -6.4 | 178.8 | -64.4 | -76.7 | 0 | 0 | 0 | 114.6 | I70 L79 T104 V105 K110 H111 G115 A118 | I70-F108 HydrophobicContact CG2-CD2 3.98Å; I70-F108 HydrophobicContact CG2-CE2 3.26Å; I70-F108 HydrophobicContact CG2-CZ 3.73Å; I70-F108 WeakPolarHBondContact O-CZ 3.35Å; L79-F108 HydrophobicContact CD1-CD1 4.13Å; L79-F108 HydrophobicContact CD1-CE1 4.07Å; L79-F108 HydrophobicContact CD1-CG 4.35Å; L79-F108 HydrophobicContact CD1-CZ 4.27Å; L79-F108 HydrophobicContact CD2-CD1 3.49Å; L79-F108 VanDerWaalsContact CD2-CD1 3.49Å; L79-F108 HydrophobicContact CD2-CE1 3.72Å; L79-F108 HydrophobicContact CD2-CG 4.27Å; L79-F108 HydrophobicContact CG-CD1 4.43Å; T104-F108 WeakPolarHBondContact O-CD2 3.34Å; V105-F108 PolarHBondContact O-N 3.22Å; F108-K110 PolarHBondContact O-N 2.99Å; F108-K110 VanDerWaalsContact O-N 3.15Å; F108-H111 VanDerWaalsContact O-CB 3.32Å; F108-H111 WeakPolarHBondContact O-CB 3.21Å; F108-H111 PolarHBondContact O-N 2.9Å; F108-G115 VanDerWaalsContact O-CA 3.32Å; F108-G115 WeakPolarHBondContact O-CA 3.45Å; F108-A118 HydrophobicContact CB-CB 4.16Å |
| 109 | R | 87.4 | Confident | 87.8 | Confident | 106 Ų | 106 | 65.4 Ų | 65.4 | 40% | 0.4 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -61.9 | -17.6 | 172.7 | -65.9 | 174.1 | 65.3 | -152.8 | -4.8 | 113.9 | N106 S107 A118 K119 | N106-R109 WeakPolarHBondContact O-CB 3.42Å; N106-R109 WeakPolarHBondContact O-CD 3.25Å; N106-R109 WeakPolarHBondContact O-CG 3.36Å; N106-R109 PolarHBondContact O-N 3.3Å; N106-R109 WeakPolarHBondContact OD1-CD 3.38Å; N106-R109 PolarHBondContact OD1-NH1 2.93Å; S107-R109 PolarHBondContact O-N 3.26Å; R109-A118 HydrophobicContact CG-CB 3.94Å; R109-K119 HydrophobicContact CB-CG 4.13Å; R109-K119 HydrophobicContact CG-CG 4.03Å; R109-K119 WeakPolarHBondContact O-CE 3.48Å |
| 110 | K | 87.9 | Confident | 88.1 | Confident | 201 Ų | 201 | 67.9 Ų | 67.9 | 87% | 0.874 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -91.9 | -5.4 | 173 | -68.2 | -171.8 | 177.3 | -174.9 | 0 | 114.2 | S107 F108 | S107-K110 PolarHBondContact O-N 2.81Å; F108-K110 PolarHBondContact O-N 2.99Å; F108-K110 VanDerWaalsContact O-N 3.15Å |
| 111 | H | 86.5 | Confident | 88.3 | Confident | 58 Ų | 58 | 67.5 Ų | 67.5 | 27% | 0.269 | 34% | 0.339 | S | S | . | . | trans | -83.4 | 135.7 | -177.7 | -166.1 | -44.5 | 0 | 0 | 0 | 110.8 | F108 G115 | F108-H111 VanDerWaalsContact O-CB 3.32Å; F108-H111 WeakPolarHBondContact O-CB 3.21Å; F108-H111 PolarHBondContact O-N 2.9Å; H111-G115 WeakPolarHBondContact O-CA 3.29Å; H111-G115 PolarHBondContact O-N 3.41Å | ||
| 112 | D | 85.4 | Confident | 88.5 | Confident | 153 Ų | 153 | 68.5 Ų | 68.5 | 82% | 0.818 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -62.1 | -171.7 | -53.9 | -65.1 | 0 | 0 | 0 | 113.2 | V114 | D112-V114 PolarHBondContact O-N 2.97Å; D112-V114 VanDerWaalsContact O-N 3.11Å |
| 113 | D | 84.1 | Confident | 88.6 | Confident | 108 Ų | 108 | 69.9 Ų | 69.9 | 58% | 0.578 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -22.6 | -176.1 | -73.7 | -39 | 0 | 0 | 0 | 115.6 | P76 | P76-D113 HydrophobicContact CB-CB 3.79Å; P76-D113 WeakPolarHBondContact CB-OD2 3.32Å; P76-D113 WeakPolarHBondContact CG-OD2 3.38Å |
| 114 | V | 87.9 | Confident | 88.6 | Confident | 1 Ų | 1 | 66.4 Ų | 66.4 | 1% | 0.006 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -135.2 | -4.5 | -165.1 | -141.5 | 0 | 0 | 0 | 0 | 114.1 | P76 L79 L80 L83 D112 E116 L117 A118 | P76-V114 HydrophobicContact CB-CG2 4.37Å; L79-V114 HydrophobicContact CB-CG2 4.49Å; L79-V114 HydrophobicContact CD2-CB 4.3Å; L79-V114 HydrophobicContact CD2-CG2 3.84Å; L79-V114 HydrophobicContact CG-CB 4.43Å; L79-V114 HydrophobicContact CG-CG1 4.39Å; L79-V114 HydrophobicContact CG-CG2 4.09Å; L80-V114 HydrophobicContact CB-CG1 3.87Å; L80-V114 HydrophobicContact CB-CG2 4.35Å; L80-V114 HydrophobicContact CD1-CG1 4.37Å; L80-V114 HydrophobicContact CG-CG1 4.23Å; L83-V114 HydrophobicContact CD1-CB 4.4Å; L83-V114 HydrophobicContact CD1-CG1 3.64Å; D112-V114 PolarHBondContact O-N 2.97Å; D112-V114 VanDerWaalsContact O-N 3.11Å; V114-E116 VanDerWaalsContact C-N 3.29Å; V114-E116 PolarHBondContact O-N 3.41Å; V114-L117 HydrophobicContact CG1-CB 4.34Å; V114-L117 HydrophobicContact CG1-CD1 4.18Å; V114-L117 PolarHBondContact O-N 2.81Å; V114-A118 PolarHBondContact O-N 3.05Å |
| 115 | G | 88.7 | Confident | 88.7 | Confident | 1 Ų | 1 | 65.5 Ų | 65.5 | 1% | 0.01 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.1 | -29.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | F108 H111 K119 | F108-G115 VanDerWaalsContact O-CA 3.32Å; F108-G115 WeakPolarHBondContact O-CA 3.45Å; H111-G115 WeakPolarHBondContact O-CA 3.29Å; H111-G115 PolarHBondContact O-N 3.41Å; G115-K119 WeakPolarHBondContact O-CB 3.36Å; G115-K119 WeakPolarHBondContact O-CD 3.4Å; G115-K119 WeakPolarHBondContact O-CE 3.36Å; G115-K119 WeakPolarHBondContact O-CG 3.5Å; G115-K119 PolarHBondContact O-N 3.18Å |
| 116 | E | 89.6 | Confident | 88.7 | Confident | 159 Ų | 159 | 72.7 Ų | 72.7 | 74% | 0.743 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -67.2 | -43.4 | 173.7 | -61.4 | -161.4 | 147.8 | 0 | 0 | 112.7 | V114 K119 S120 | V114-E116 VanDerWaalsContact C-N 3.29Å; V114-E116 PolarHBondContact O-N 3.41Å; E116-K119 PolarHBondContact O-N 3.41Å; E116-S120 PolarHBondContact O-N 3.17Å |
| 117 | L | 88.1 | Confident | 88.4 | Confident | 53 Ų | 53 | 78 Ų | 78 | 28% | 0.277 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -66.1 | -43 | 175.2 | -66.4 | 172.5 | 0 | 0 | 0 | 110.5 | L80 K84 V114 K119 S120 L121 | L80-L117 HydrophobicContact CD1-CD1 3.94Å; L80-L117 HydrophobicContact CG-CD1 3.75Å; K84-L117 HydrophobicContact CG-CD1 4.41Å; V114-L117 HydrophobicContact CG1-CB 4.34Å; V114-L117 HydrophobicContact CG1-CD1 4.18Å; V114-L117 PolarHBondContact O-N 2.81Å; L117-K119 VanDerWaalsContact C-N 3.35Å; L117-K119 PolarHBondContact O-N 3.05Å; L117-S120 PolarHBondContact O-N 3.13Å; L117-S120 PolarHBondContact O-OG 3.15Å; L117-L121 VanDerWaalsContact O-CG 3.25Å; L117-L121 WeakPolarHBondContact O-CG 3.38Å; L117-L121 PolarHBondContact O-N 2.86Å |
| 118 | A | 90.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 78.2 Ų | 78.2 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -59.5 | -42.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V105 F108 R109 V114 V122 | V105-A118 HydrophobicContact CG1-CB 4.04Å; F108-A118 HydrophobicContact CB-CB 4.16Å; R109-A118 HydrophobicContact CG-CB 3.94Å; V114-A118 PolarHBondContact O-N 3.05Å; A118-V122 WeakPolarHBondContact O-CG2 3.47Å; A118-V122 PolarHBondContact O-N 2.84Å; A118-V122 VanDerWaalsContact O-N 3.1Å |
| 119 | K | 91.4 | Very high | 87.4 | Confident | 103 Ų | 103 | 79.8 Ų | 79.8 | 45% | 0.448 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.4 | -43.2 | 174.3 | -71.8 | 157.4 | -157.4 | 167.1 | 0 | 111.3 | R109 G115 E116 L117 A123 | R109-K119 HydrophobicContact CB-CG 4.13Å; R109-K119 HydrophobicContact CG-CG 4.03Å; R109-K119 WeakPolarHBondContact O-CE 3.48Å; G115-K119 WeakPolarHBondContact O-CB 3.36Å; G115-K119 WeakPolarHBondContact O-CD 3.4Å; G115-K119 WeakPolarHBondContact O-CE 3.36Å; G115-K119 WeakPolarHBondContact O-CG 3.5Å; G115-K119 PolarHBondContact O-N 3.18Å; E116-K119 PolarHBondContact O-N 3.41Å; L117-K119 VanDerWaalsContact C-N 3.35Å; L117-K119 PolarHBondContact O-N 3.05Å; K119-A123 WeakPolarHBondContact O-CB 3.44Å; K119-A123 PolarHBondContact O-N 2.91Å |
| 120 | S | 91.1 | Very high | 86.3 | Confident | 63 Ų | 63 | 79.2 Ų | 79.2 | 44% | 0.441 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -69.8 | -36.8 | -178.8 | 77.7 | 0 | 0 | 0 | 0 | 113 | E116 L117 A123 K124 | E116-S120 PolarHBondContact O-N 3.17Å; L117-S120 PolarHBondContact O-N 3.13Å; L117-S120 PolarHBondContact O-OG 3.15Å; S120-A123 PolarHBondContact O-N 3.23Å; S120-K124 PolarHBondContact O-N 2.96Å |
| 121 | L | 90.5 | Very high | 84.5 | Confident | 13 Ų | 13 | 77.9 Ų | 77.9 | 7% | 0.068 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -65.7 | -48.3 | 175.1 | -68.6 | 168.6 | 0 | 0 | 0 | 111.9 | L83 V105 L117 A123 K124 W125 | L83-L121 HydrophobicContact CB-CD1 4.01Å; L83-L121 HydrophobicContact CD2-CD1 3.92Å; L83-L121 WeakPolarHBondContact O-CD1 3.25Å; V105-L121 HydrophobicContact CG1-CB 4.21Å; V105-L121 HydrophobicContact CG1-CD1 4.23Å; L117-L121 VanDerWaalsContact O-CG 3.25Å; L117-L121 WeakPolarHBondContact O-CG 3.38Å; L117-L121 PolarHBondContact O-N 2.86Å; L121-A123 VanDerWaalsContact C-N 3.25Å; L121-A123 PolarHBondContact O-N 2.85Å; L121-K124 WeakPolarHBondContact O-CB 3.36Å; L121-K124 PolarHBondContact O-N 3.02Å; L121-K124 VanDerWaalsContact O-N 3.08Å; L121-W125 PolarHBondContact O-N 3.14Å |
| 122 | V | 89.9 | Confident | 82.4 | Confident | 21 Ų | 21 | 82.1 Ų | 82.1 | 13% | 0.127 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -61.2 | -36.6 | 175 | 172.8 | 0 | 0 | 0 | 0 | 110.9 | V105 N106 A118 W125 K126 | V105-V122 HydrophobicContact CG1-CG2 4.2Å; N106-V122 HydrophobicContact CB-CG2 4.32Å; A118-V122 WeakPolarHBondContact O-CG2 3.47Å; A118-V122 PolarHBondContact O-N 2.84Å; A118-V122 VanDerWaalsContact O-N 3.1Å; V122-W125 PolarHBondContact O-N 2.86Å; V122-K126 HydrophobicContact CG1-CD 4.24Å; V122-K126 HydrophobicContact CG1-CG 4.41Å; V122-K126 WeakPolarHBondContact O-CB 3.22Å; V122-K126 WeakPolarHBondContact O-CG 3.27Å; V122-K126 PolarHBondContact O-N 3.08Å |
| 123 | A | 88.9 | Confident | 80.3 | Confident | 52 Ų | 52 | 78.4 Ų | 78.4 | 43% | 0.43 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -68.3 | -35.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | K119 S120 L121 | K119-A123 WeakPolarHBondContact O-CB 3.44Å; K119-A123 PolarHBondContact O-N 2.91Å; S120-A123 PolarHBondContact O-N 3.23Å; L121-A123 VanDerWaalsContact C-N 3.25Å; L121-A123 PolarHBondContact O-N 2.85Å |
| 124 | K | 88.2 | Confident | 78.1 | Confident | 100 Ų | 100 | 81.2 Ų | 81.2 | 44% | 0.435 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.4 | -48.6 | 172.3 | -177.8 | 179.4 | 175 | -179.7 | 0 | 110.3 | G87 S120 L121 K127 | G87-K124 PolarHBondContact O-NZ 3.49Å; S120-K124 PolarHBondContact O-N 2.96Å; L121-K124 WeakPolarHBondContact O-CB 3.36Å; L121-K124 PolarHBondContact O-N 3.02Å; L121-K124 VanDerWaalsContact O-N 3.08Å; K124-K127 WeakPolarHBondContact O-CB 3.43Å; K124-K127 PolarHBondContact O-N 3.3Å |
| 125 | W | 90.4 | Very high | 75.5 | Confident | 5 Ų | 5 | 92.1 Ų | 92.1 | 2% | 0.019 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -70 | -35.8 | -178.3 | -60 | -23.3 | 0 | 0 | 0 | 113.6 | L86 M91 L96 V101 V105 L121 V122 K127 L128 V129 | L86-W125 HydrophobicContact CD1-CZ2 4.4Å; L86-W125 HydrophobicContact CD2-CH2 3.93Å; L86-W125 HydrophobicContact CD2-CZ2 4.41Å; L86-W125 HydrophobicContact CG-CH2 3.97Å; L86-W125 HydrophobicContact CG-CZ2 3.93Å; M91-W125 HydrophobicContact CE-CH2 4.34Å; M91-W125 HydrophobicContact CE-CZ2 3.75Å; M91-W125 HydrophobicContact CG-CD2 4.44Å; M91-W125 HydrophobicContact CG-CG 4.26Å; L96-W125 HydrophobicContact CD1-CB 4.41Å; L96-W125 HydrophobicContact CD1-CD2 3.92Å; L96-W125 HydrophobicContact CD1-CE3 3.6Å; L96-W125 HydrophobicContact CD1-CG 4.29Å; L96-W125 HydrophobicContact CD1-CZ3 4.1Å; L96-W125 HydrophobicContact CD2-CB 3.97Å; V101-W125 HydrophobicContact CG1-CH2 4.03Å; V101-W125 HydrophobicContact CG1-CZ3 4.17Å; V101-W125 HydrophobicContact CG2-CH2 4.33Å; V105-W125 HydrophobicContact CB-CH2 4.29Å; V105-W125 HydrophobicContact CB-CZ3 3.92Å; V105-W125 HydrophobicContact CG1-CZ3 4.31Å; V105-W125 HydrophobicContact CG2-CH2 3.79Å; V105-W125 HydrophobicContact CG2-CZ3 3.88Å; L121-W125 PolarHBondContact O-N 3.14Å; V122-W125 PolarHBondContact O-N 2.86Å; W125-K127 PolarHBondContact O-N 3.35Å; W125-K127 VanDerWaalsContact O-N 3.1Å; W125-L128 PolarHBondContact O-N 3.05Å; W125-V129 PolarHBondContact O-N 3.38Å |
| 126 | K | 87.3 | Confident | 73.3 | Confident | 152 Ų | 152 | 98.5 Ų | 98.5 | 66% | 0.661 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -7.4 | 171.7 | -75.7 | -171 | 69.8 | 172.7 | 0 | 114.7 | V122 | V122-K126 HydrophobicContact CG1-CD 4.24Å; V122-K126 HydrophobicContact CG1-CG 4.41Å; V122-K126 WeakPolarHBondContact O-CB 3.22Å; V122-K126 WeakPolarHBondContact O-CG 3.27Å; V122-K126 PolarHBondContact O-N 3.08Å |
| 127 | K | 84.7 | Confident | 70.7 | Confident | 181 Ų | 181 | 98.5 Ų | 98.5 | 79% | 0.787 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | -14.5 | 168.4 | -67.3 | 178.5 | 178.7 | -173.9 | 0 | 113.6 | K124 W125 | K124-K127 WeakPolarHBondContact O-CB 3.43Å; K124-K127 PolarHBondContact O-N 3.3Å; W125-K127 PolarHBondContact O-N 3.35Å; W125-K127 VanDerWaalsContact O-N 3.1Å |
| 128 | L | 79.5 | Confident | 68.4 | Low | 80 Ų | 80 | 100.6 Ų | 100.6 | 42% | 0.419 | 54% | 0.54 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -31.4 | 178.6 | -62.4 | 174.1 | 0 | 0 | 0 | 111.8 | M91 V93 W125 P130 | M91-L128 HydrophobicContact CB-CD1 4.25Å; M91-L128 WeakPolarHBondContact O-CD1 3.34Å; V93-L128 WeakPolarHBondContact CG2-O 3.33Å; W125-L128 PolarHBondContact O-N 3.05Å; L128-P130 VanDerWaalsContact O-CD 3.29Å; L128-P130 WeakPolarHBondContact O-CD 3.49Å |
| 129 | V | 76.3 | Confident | 65.6 | Low | 65 Ų | 65 | 109.5 Ų | 109.5 | 39% | 0.394 | 58% | 0.581 | S | S | . | * | S | Bend | trans | -67.3 | 118 | 167.1 | -177.1 | 0 | 0 | 0 | 0 | 108.5 | V93 L96 W125 Q131 | V93-V129 HydrophobicContact CG1-CG2 4.4Å; V93-V129 HydrophobicContact CG2-CG2 4.42Å; L96-V129 HydrophobicContact CD2-CG2 4.16Å; W125-V129 PolarHBondContact O-N 3.38Å; V129-Q131 PolarHBondContact O-N 2.76Å |
| 130 | P | 66.3 | Low | 63.3 | Low | 95 Ų | 95 | 109.9 Ų | 109.9 | 62% | 0.617 | 59% | 0.594 | S | S | * | * | trans | -60.5 | 129.8 | 172.7 | -21.1 | 33.1 | 0 | 0 | 0 | 109.6 | L128 T132 | L128-P130 VanDerWaalsContact O-CD 3.29Å; L128-P130 WeakPolarHBondContact O-CD 3.49Å; P130-T132 PolarHBondContact O-N 2.92Å; P130-T132 VanDerWaalsContact O-N 3.17Å | ||
| 131 | Q | 49.5 | Very low | 60.6 | Low | 172 Ų | 172 | 116.1 Ų | 116.1 | 80% | 0.804 | 61% | 0.613 | S | S | * | * | trans | -70.6 | 113.1 | 167.1 | -66 | -172.1 | 23.3 | 0 | 0 | 107.6 | V129 A133 | V129-Q131 PolarHBondContact O-N 2.76Å; Q131-A133 HydrophobicContact CB-CB 4.32Å; Q131-A133 PolarHBondContact O-N 2.8Å | ||
| 132 | T | 42.2 | Very low | 57.7 | Low | 148 Ų | 148 | 121.2 Ų | 121.2 | 91% | 0.908 | 65% | 0.647 | S | S | * | * | trans | -69.4 | 78 | 172 | 51.3 | 0 | 0 | 0 | 0 | 109.1 | P130 | P130-T132 PolarHBondContact O-N 2.92Å; P130-T132 VanDerWaalsContact O-N 3.17Å | ||
| 133 | A | 41.9 | Very low | 54.8 | Low | 74 Ų | 74 | 124.1 Ų | 124.1 | 61% | 0.612 | 67% | 0.673 | S | S | * | * | trans | -112.2 | 23.9 | -168 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q131 R135 | Q131-A133 HydrophobicContact CB-CB 4.32Å; Q131-A133 PolarHBondContact O-N 2.8Å; A133-R135 PolarHBondContact O-N 3.33Å | ||
| 134 | D | 36 | Very low | 53 | Low | 167 Ų | 167 | 127.1 Ų | 127.1 | 89% | 0.893 | 69% | 0.689 | S | S | * | * | trans | -75.2 | 73.6 | 164.6 | -85.9 | -50.3 | 0 | 0 | 0 | 111 | ||||
| 135 | R | 35.3 | Very low | 50.2 | Low | 231 Ų | 231 | 131 Ų | 131 | 87% | 0.872 | 71% | 0.708 | S | S | * | * | trans | -134.7 | 103 | 151.8 | -104.7 | -173.1 | 170.2 | -171.2 | -3.3 | 107.8 | A133 N137 | A133-R135 PolarHBondContact O-N 3.33Å; R135-N137 PolarHBondContact O-N 3.13Å | ||
| 136 | P | 41.6 | Very low | 47.1 | Very low | 135 Ų | 135 | 135.1 Ų | 135.1 | 88% | 0.877 | 74% | 0.738 | S | S | * | * | trans | -66.7 | 134.4 | -172.8 | 26 | -34 | 0 | 0 | 0 | 111.4 | ||||
| 137 | N | 36 | Very low | 44.3 | Very low | 158 Ų | 158 | 135 Ų | 135 | 85% | 0.845 | 74% | 0.739 | S | S | * | * | trans | -102.3 | 103.5 | -177.8 | 171 | 35.1 | 0 | 0 | 0 | 111.4 | R135 | R135-N137 PolarHBondContact O-N 3.13Š| ||
| 138 | S | 39 | Very low | 41.7 | Very low | 98 Ų | 98 | 134.1 Ų | 134.1 | 69% | 0.685 | 74% | 0.737 | S | S | * | * | trans | -176.5 | 121.5 | 142.3 | 56.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 139 | H | 32.5 | Very low | 39.2 | Very low | 187 Ų | 187 | 139.6 Ų | 139.6 | 87% | 0.866 | 75% | 0.753 | S | S | * | * | trans | -153.8 | 138.5 | 136.9 | -111.9 | -82.4 | 0 | 0 | 0 | 108.6 | ||||
| 140 | P | 41.8 | Very low | 36.8 | Very low | 110 Ų | 110 | 139.9 Ų | 139.9 | 71% | 0.714 | 76% | 0.758 | S | S | * | * | trans | -76.3 | 160.1 | -175.2 | 31.5 | -35.8 | 0 | 0 | 0 | 112.5 | P142 | P140-P142 WeakPolarHBondContact O-CD 3.42Š| ||
| 141 | K | 33.8 | Very low | 34.9 | Very low | 194 Ų | 194 | 145 Ų | 145 | 84% | 0.843 | 77% | 0.766 | S | S | * | * | trans | -72.7 | 127.5 | 179.9 | -178.2 | -177.5 | -175.9 | -179.8 | 0 | 112.4 | ||||
| 142 | P | 30.8 | Very low | 33.9 | Very low | 121 Ų | 121 | 148 Ų | 148 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | trans | -113.9 | 171.6 | 139.7 | 37.3 | -33.1 | 0 | 0 | 0 | 111.3 | P140 | P140-P142 WeakPolarHBondContact O-CD 3.42Š| ||
| 143 | A | 29.1 | Very low | 33.1 | Very low | 82 Ų | 82 | 148.3 Ų | 148.3 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | trans | -158.8 | 168 | 171.6 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 144 | P | 50.2 | Low | 33 | Very low | 115 Ų | 115 | 150.1 Ų | 150.1 | 75% | 0.747 | 77% | 0.766 | S | S | * | * | cis | -120.6 | -140.4 | -8.5 | 37 | -17.8 | 0 | 0 | 0 | 110.3 | ||||
| 145 | Q | 29.1 | Very low | 32.6 | Very low | 182 Ų | 182 | 146.4 Ų | 146.4 | 85% | 0.85 | 75% | 0.754 | S | S | * | * | trans | 75.3 | 145.5 | 174 | -59.9 | -178.8 | -9.8 | 0 | 0 | 116.4 | ||||
| 146 | S | 25.7 | Very low | 33.1 | Very low | 91 Ų | 91 | 139.9 Ų | 139.9 | 64% | 0.636 | 74% | 0.741 | S | S | * | * | cis | -164.6 | 158.7 | -20.4 | 53.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 147 | H | 29.6 | Very low | 32.5 | Very low | 149 Ų | 149 | 141.7 Ų | 141.7 | 69% | 0.69 | 74% | 0.738 | S | S | * | * | trans | 37.4 | 117.3 | 148.8 | -67 | -61.8 | 0 | 0 | 0 | 121.3 | ||||
| 148 | H | 28.8 | Very low | 32.3 | Very low | 162 Ų | 162 | 142.8 Ų | 142.8 | 75% | 0.75 | 74% | 0.738 | S | S | * | * | 72.2 | 154.2 | 128.1 | -66.6 | -33.9 | 0 | 0 | 0 | 119.3 | |||||
| 149 | R | 27 | Very low | 31.9 | Very low | 196 Ų | 196 | 147 Ų | 147 | 74% | 0.74 | 75% | 0.747 | S | S | * | * | cis | -178.6 | 161.8 | -11.5 | 164.5 | -174.4 | 173.4 | 176.5 | 3 | 107.7 | ||||
| 150 | S | 25.7 | Very low | 31.6 | Very low | 71 Ų | 71 | 149.7 Ų | 149.7 | 50% | 0.497 | 75% | 0.749 | S | S | . | * | trans | 70.2 | 155.2 | 156.2 | -91.4 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 151 | Y | 28.1 | Very low | 30.8 | Very low | 201 Ų | 201 | 149.9 Ų | 149.9 | 79% | 0.788 | 75% | 0.754 | S | S | * | * | cis | -129 | 175.8 | -16.2 | -68.6 | -80.5 | 0 | 0 | 0 | 106.5 | ||||
| 152 | R | 27.2 | Very low | 30.4 | Very low | 236 Ų | 236 | 150 Ų | 150 | 89% | 0.891 | 75% | 0.75 | S | S | * | * | cis | -163.4 | 136.4 | 21.4 | -167.8 | 156.5 | 178.6 | 164.7 | -0.3 | 111.5 | ||||
| 153 | E | 25.8 | Very low | 30.4 | Very low | 155 Ų | 155 | 149.6 Ų | 149.6 | 72% | 0.724 | 75% | 0.745 | S | S | * | * | trans | -96.5 | -179.8 | 159.2 | -112.7 | -159.9 | 117.3 | 0 | 0 | 109.8 | ||||
| 154 | P | 40.8 | Very low | 30.4 | Very low | 111 Ų | 111 | 151.7 Ų | 151.7 | 72% | 0.721 | 74% | 0.741 | S | S | * | * | cis | -111.9 | 173.4 | 5.6 | 3.9 | 23.3 | 0 | 0 | 0 | 113.6 | ||||
| 155 | S | 26.6 | Very low | 29.5 | Very low | 90 Ų | 90 | 155.8 Ų | 155.8 | 63% | 0.629 | 75% | 0.75 | S | S | * | * | 66.9 | 154 | 59.3 | -135.4 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 156 | P | 45 | Very low | 29.6 | Very low | 93 Ų | 93 | 155.6 Ų | 155.6 | 60% | 0.604 | 75% | 0.749 | S | S | * | * | cis | -84.9 | -159 | 14 | 39.7 | -40.5 | 0 | 0 | 0 | 114 | ||||
| 157 | E | 30.6 | Very low | 29.9 | Very low | 173 Ų | 173 | 160.8 Ų | 160.8 | 81% | 0.808 | 76% | 0.763 | S | S | * | * | cis | -157.9 | -154.1 | 18.6 | -148.1 | 122.5 | -113.4 | 0 | 0 | 114.2 | ||||
| 158 | E | 30.7 | Very low | 29.8 | Very low | 182 Ų | 182 | 163 Ų | 163 | 85% | 0.85 | 77% | 0.774 | S | S | * | * | trans | -92.5 | 168.8 | -167.3 | -68.2 | -177.6 | 120.2 | 0 | 0 | 114.6 | ||||
| 159 | E | 30.4 | Very low | 30 | Very low | 187 Ų | 187 | 162.9 Ų | 162.9 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | cis | -146.1 | 169.6 | 28.2 | -164.9 | 176 | -149 | 0 | 0 | 113.4 | ||||
| 160 | R | 26.3 | Very low | 30 | Very low | 242 Ų | 242 | 161.7 Ų | 161.7 | 91% | 0.913 | 78% | 0.777 | S | S | * | * | trans | -132.2 | 155.4 | -175.8 | -71.3 | 175.2 | 170.3 | 162.3 | -5.4 | 113.7 | ||||
| 161 | S | 24.7 | Very low | 30 | Very low | 115 Ų | 115 | 164.5 Ų | 164.5 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | -156.7 | 134.1 | 145.6 | 11.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 162 | Y | 26 | Very low | 29.9 | Very low | 195 Ų | 195 | 160.6 Ų | 160.6 | 77% | 0.765 | 78% | 0.78 | S | S | * | * | 68.7 | 135 | 61.1 | -105.1 | -126.7 | 0 | 0 | 0 | 113 | E164 | Y162-E164 HydrophobicContact CD1-CG 4.17Å; Y162-E164 HydrophobicContact CE1-CG 3.74Å; Y162-E164 VanDerWaalsContact CE1-OE1 3.23Å; Y162-E164 WeakPolarHBondContact CE1-OE1 3.45Å | |||
| 163 | V | 30.4 | Very low | 30 | Very low | 113 Ų | 113 | 157.6 Ų | 157.6 | 69% | 0.685 | 77% | 0.77 | S | S | * | * | cis | -130.5 | 137.5 | 27.1 | -92.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 164 | E | 30.3 | Very low | 30 | Very low | 126 Ų | 126 | 157.7 Ų | 157.7 | 59% | 0.589 | 77% | 0.77 | S | S | * | * | 74.7 | 124.7 | 95 | -62.3 | 173.4 | 155.5 | 0 | 0 | 117.2 | Y162 | Y162-E164 HydrophobicContact CD1-CG 4.17Å; Y162-E164 HydrophobicContact CE1-CG 3.74Å; Y162-E164 VanDerWaalsContact CE1-OE1 3.23Å; Y162-E164 WeakPolarHBondContact CE1-OE1 3.45Å | |||
| 165 | E | 31.4 | Very low | 29.3 | Very low | 202 Ų | 202 | 158 Ų | 158 | 94% | 0.944 | 78% | 0.775 | S | S | * | * | trans | -131.5 | 134.1 | 147.7 | -75.4 | -175.5 | 144.6 | 0 | 0 | 106.2 | ||||
| 166 | E | 30.5 | Very low | 29.4 | Very low | 177 Ų | 177 | 160.6 Ų | 160.6 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | trans | -120.7 | 126.8 | 174.7 | -71.3 | -169.7 | 138 | 0 | 0 | 110.5 | ||||
| 167 | E | 31.2 | Very low | 28.6 | Very low | 200 Ų | 200 | 167 Ų | 167 | 94% | 0.935 | 80% | 0.796 | S | S | * | * | trans | -138.3 | 131.5 | 154.2 | -75.2 | -165.5 | 144.4 | 0 | 0 | 107.8 | ||||
| 168 | E | 28.2 | Very low | 28.5 | Very low | 197 Ų | 197 | 166.7 Ų | 166.7 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | trans | -85.8 | 169.1 | -176.9 | -75.6 | -170.8 | 124.8 | 0 | 0 | 114.2 | ||||
| 169 | E | 32.7 | Very low | 29 | Very low | 158 Ų | 158 | 163.7 Ų | 163.7 | 74% | 0.738 | 79% | 0.789 | S | S | * | * | trans | -70.1 | 177.2 | -176.7 | -52.5 | -172.8 | 117.1 | 0 | 0 | 112.5 | M171 | E169-M171 VanDerWaalsContact OE1-CE 3.25Å; E169-M171 WeakPolarHBondContact OE1-CE 3.31Å | ||
| 170 | E | 28.1 | Very low | 28.9 | Very low | 172 Ų | 172 | 159 Ų | 159 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | cis | -124 | 151.5 | 17.8 | -58.3 | 173.7 | 103.5 | 0 | 0 | 110.9 | ||||
| 171 | M | 25.6 | Very low | 30.2 | Very low | 130 Ų | 130 | 153 Ų | 153 | 64% | 0.64 | 77% | 0.769 | S | S | * | * | cis | 75.2 | 161.4 | 37.9 | -134.4 | -151.6 | -61.4 | 0 | 0 | 115.6 | E169 Y173 | E169-M171 VanDerWaalsContact OE1-CE 3.25Å; E169-M171 WeakPolarHBondContact OE1-CE 3.31Å; M171-Y173 HydrophobicContact SD-CE2 4.46Å | ||
| 172 | V | 25 | Very low | 31.2 | Very low | 118 Ų | 118 | 152.1 Ų | 152.1 | 72% | 0.715 | 76% | 0.76 | S | S | * | * | trans | 79.5 | 117.3 | 179.9 | -172.1 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 173 | Y | 29.6 | Very low | 31.4 | Very low | 173 Ų | 173 | 150.2 Ų | 150.2 | 68% | 0.678 | 76% | 0.758 | S | S | * | * | cis | -161.5 | 167.8 | -21.5 | -138.5 | -134.7 | 0 | 0 | 0 | 111.4 | M171 | M171-Y173 HydrophobicContact SD-CE2 4.46Š| ||
| 174 | Q | 26.4 | Very low | 31.4 | Very low | 157 Ų | 157 | 152 Ų | 152 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | trans | -4.8 | 135.6 | 163.1 | -59.4 | 172.4 | -1.6 | 0 | 0 | 120.5 | ||||
| 175 | S | 26.2 | Very low | 31.4 | Very low | 118 Ų | 118 | 152.3 Ų | 152.3 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | -168.4 | 159.3 | 107.7 | -163.3 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 176 | N | 27.9 | Very low | 31.3 | Very low | 144 Ų | 144 | 149.8 Ų | 149.8 | 77% | 0.77 | 75% | 0.749 | S | S | * | * | trans | -95.6 | 139 | 167.9 | -60.8 | -77 | 0 | 0 | 0 | 109.8 | ||||
| 177 | Y | 28.3 | Very low | 31.3 | Very low | 227 Ų | 227 | 151.6 Ų | 151.6 | 89% | 0.89 | 75% | 0.75 | S | S | * | * | -179 | 145.4 | 124.8 | -116.4 | -123 | 0 | 0 | 0 | 113.2 | |||||
| 178 | F | 29.5 | Very low | 31.4 | Very low | 168 Ų | 168 | 147.3 Ų | 147.3 | 74% | 0.737 | 74% | 0.741 | S | S | * | * | trans | -89.6 | 152.2 | 151.8 | -127.4 | -116 | 0 | 0 | 0 | 106.3 | ||||
| 179 | P | 40.6 | Very low | 32.6 | Very low | 119 Ų | 119 | 143.5 Ų | 143.5 | 77% | 0.773 | 73% | 0.734 | S | S | * | * | -146.1 | -148.8 | 52.6 | 41.4 | -19.5 | 0 | 0 | 0 | 114.5 | |||||
| 180 | S | 27.8 | Very low | 33.3 | Very low | 88 Ų | 88 | 140.9 Ų | 140.9 | 62% | 0.615 | 73% | 0.731 | S | S | * | * | trans | -109.5 | -165 | -154.2 | -39.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 181 | P | 53.4 | Low | 33.5 | Very low | 117 Ų | 117 | 140 Ų | 140 | 76% | 0.76 | 73% | 0.727 | S | S | * | * | trans | -93.6 | -169.5 | -150.3 | 44.5 | -44.2 | 0 | 0 | 0 | 114.3 | ||||
| 182 | P | 45.5 | Very low | 33.6 | Very low | 96 Ų | 96 | 144.9 Ų | 144.9 | 62% | 0.623 | 74% | 0.738 | S | S | * | * | -153.5 | 175.6 | 88.4 | 41.7 | -23.2 | 0 | 0 | 0 | 117.3 | |||||
| 183 | Q | 31.3 | Very low | 33.9 | Very low | 155 Ų | 155 | 143.1 Ų | 143.1 | 72% | 0.724 | 74% | 0.744 | S | S | * | * | trans | 67.3 | 119.8 | 142.5 | -82.8 | 163.3 | -9.1 | 0 | 0 | 119.6 | ||||
| 184 | Q | 29.8 | Very low | 33.8 | Very low | 149 Ų | 149 | 138.8 Ų | 138.8 | 70% | 0.696 | 75% | 0.751 | S | S | * | * | 74.9 | 143.1 | 89.6 | -75.4 | -175.2 | 1.7 | 0 | 0 | 113.6 | |||||
| 185 | Q | 31.1 | Very low | 34 | Very low | 133 Ų | 133 | 141.7 Ų | 141.7 | 62% | 0.621 | 76% | 0.757 | S | S | * | * | cis | -162.4 | 162.3 | 18.7 | -131.7 | 176.5 | 85.4 | 0 | 0 | 112.3 | ||||
| 186 | Q | 28.5 | Very low | 34.2 | Very low | 149 Ų | 149 | 144 Ų | 144 | 70% | 0.696 | 75% | 0.754 | S | S | * | * | trans | 75 | 130.8 | 149.5 | -70.2 | -167.9 | 40.3 | 0 | 0 | 124.5 | ||||
| 187 | Y | 30.1 | Very low | 34.5 | Very low | 216 Ų | 216 | 140.6 Ų | 140.6 | 85% | 0.847 | 74% | 0.742 | S | S | * | * | trans | 73.7 | 163.2 | 144.8 | -88.3 | -94 | 0 | 0 | 0 | 122.3 | ||||
| 188 | S | 34.7 | Very low | 34.8 | Very low | 109 Ų | 109 | 137.8 Ų | 137.8 | 76% | 0.762 | 74% | 0.737 | S | S | * | * | trans | -149.3 | -148.9 | -153.2 | -52.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 189 | P | 52 | Low | 34.8 | Very low | 118 Ų | 118 | 138.1 Ų | 138.1 | 77% | 0.766 | 74% | 0.741 | S | S | * | * | trans | -84 | -178 | -131.5 | 47.1 | -40 | 0 | 0 | 0 | 114 | ||||
| 190 | P | 47.9 | Very low | 34.5 | Very low | 102 Ų | 102 | 142.8 Ų | 142.8 | 66% | 0.662 | 75% | 0.745 | S | S | * | * | cis | -147.2 | -156.8 | 21.6 | 42.5 | -19 | 0 | 0 | 0 | 117.1 | ||||
| 191 | Q | 31.7 | Very low | 35 | Very low | 154 Ų | 154 | 147.1 Ų | 147.1 | 72% | 0.72 | 76% | 0.756 | S | S | * | * | trans | 88 | 150.4 | 171.9 | -47.7 | -60.4 | -14 | 0 | 0 | 117.3 | ||||
| 192 | R | 29.1 | Very low | 34.7 | Very low | 233 Ų | 233 | 146.6 Ų | 146.6 | 88% | 0.879 | 75% | 0.752 | S | S | * | * | cis | 171.7 | 117.1 | -39.9 | 169.2 | -179 | -169 | -167.4 | 5.9 | 107.8 | ||||
| 193 | G | 30.9 | Very low | 34.4 | Very low | 81 Ų | 81 | 151.2 Ų | 151.2 | 84% | 0.835 | 77% | 0.765 | S | S | * | * | trans | 172.7 | 131.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 194 | G | 26.2 | Very low | 35.4 | Very low | 81 Ų | 81 | 149.2 Ų | 149.2 | 84% | 0.835 | 77% | 0.766 | S | S | * | * | trans | 158.1 | 86.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 195 | Y | 31.7 | Very low | 35.9 | Very low | 218 Ų | 218 | 147.6 Ų | 147.6 | 86% | 0.855 | 77% | 0.771 | S | S | * | * | trans | -163.2 | 149.5 | 164.8 | 76.4 | -102.2 | 0 | 0 | 0 | 105.8 | ||||
| 196 | E | 30 | Very low | 37.2 | Very low | 166 Ų | 166 | 147.1 Ų | 147.1 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | cis | -146.9 | 167 | 1.4 | -93.9 | -157.2 | 75.5 | 0 | 0 | 106.7 | ||||
| 197 | S | 35 | Very low | 38.4 | Very low | 74 Ų | 74 | 145.9 Ų | 145.9 | 52% | 0.517 | 78% | 0.784 | S | S | . | * | cis | -167.3 | -176.9 | -11.8 | -92.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 198 | E | 34.3 | Very low | 39.3 | Very low | 167 Ų | 167 | 144 Ų | 144 | 78% | 0.78 | 79% | 0.788 | S | S | * | * | trans | 72.1 | 145.9 | 170.6 | -52 | -52.8 | 153.9 | 0 | 0 | 117.8 | ||||
| 199 | E | 29.4 | Very low | 40.4 | Very low | 176 Ų | 176 | 146.9 Ų | 146.9 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | cis | -149.6 | 174.1 | -4.5 | -155.3 | -179.4 | 158.7 | 0 | 0 | 109.6 | ||||
| 200 | Y | 34.6 | Very low | 40.7 | Very low | 217 Ų | 217 | 146.6 Ų | 146.6 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | trans | 96.9 | 108.8 | 164 | -153.1 | -91.5 | 0 | 0 | 0 | 118.2 | ||||
| 201 | E | 37.7 | Very low | 41.3 | Very low | 179 Ų | 179 | 147.3 Ų | 147.3 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | trans | -119.2 | 138.2 | 175.7 | -170.5 | -175.6 | -132.1 | 0 | 0 | 111.8 | ||||
| 202 | P | 46.2 | Very low | 42.7 | Very low | 106 Ų | 106 | 145.7 Ų | 145.7 | 69% | 0.688 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 147.7 | 176.9 | 35.3 | -33.9 | 0 | 0 | 0 | 114.6 | ||
| 203 | E | 39.6 | Very low | 43.7 | Very low | 192 Ų | 192 | 140.7 Ų | 140.7 | 90% | 0.897 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 145.9 | -173.8 | -82.8 | -156.7 | 137.8 | 0 | 0 | 116.6 | ||
| 204 | P | 52.1 | Low | 45 | Very low | 114 Ų | 114 | 144.7 Ų | 144.7 | 74% | 0.74 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 159 | 163.7 | 36.9 | -33.9 | 0 | 0 | 0 | 113.7 | ||
| 205 | S | 41.7 | Very low | 46.4 | Very low | 114 Ų | 114 | 146.3 Ų | 146.3 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 156.7 | -177.5 | 44.8 | 0 | 0 | 0 | 0 | 114.8 | ||
| 206 | P | 57.8 | Low | 47.3 | Very low | 124 Ų | 124 | 142.2 Ų | 142.2 | 81% | 0.805 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 146.4 | -162.2 | 28.8 | -36.6 | 0 | 0 | 0 | 115.7 | ||
| 207 | P | 53.7 | Low | 47.8 | Very low | 123 Ų | 123 | 138.9 Ų | 138.9 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 165 | -176.7 | 34.6 | -37 | 0 | 0 | 0 | 115.1 | ||
| 208 | L | 48.9 | Very low | 47.8 | Very low | 175 Ų | 175 | 145.9 Ų | 145.9 | 92% | 0.916 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 151.4 | -179.1 | -62.1 | 170.7 | 0 | 0 | 0 | 113.5 | ||
| 209 | L | 57.9 | Low | 47.7 | Very low | 171 Ų | 171 | 145.9 Ų | 145.9 | 90% | 0.895 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 145.7 | -179.5 | -68.1 | 173.2 | 0 | 0 | 0 | 113.6 | ||
| 210 | P | 58.6 | Low | 48.1 | Very low | 112 Ų | 112 | 145.4 Ų | 145.4 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 159.9 | 178.9 | 34.1 | -36.3 | 0 | 0 | 0 | 113.9 | ||
| 211 | P | 61.1 | Low | 48.1 | Very low | 117 Ų | 117 | 142 Ų | 142 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 156.8 | 179.9 | 31.6 | -36.3 | 0 | 0 | 0 | 113.9 | ||
| 212 | P | 59.2 | Low | 48.1 | Very low | 120 Ų | 120 | 143.6 Ų | 143.6 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 153.7 | -178 | 30.8 | -36.1 | 0 | 0 | 0 | 113.8 | ||
| 213 | P | 51.3 | Low | 47.3 | Very low | 128 Ų | 128 | 147.3 Ų | 147.3 | 83% | 0.831 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 151.7 | -173.5 | 32.1 | -36.4 | 0 | 0 | 0 | 114.5 | ||
| 214 | L | 57.9 | Low | 46.9 | Very low | 165 Ų | 165 | 143.6 Ų | 143.6 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 147.5 | 173.1 | -70.5 | 167.2 | 0 | 0 | 0 | 112.2 | ||
| 215 | P | 55.5 | Low | 46.1 | Very low | 114 Ų | 114 | 147.6 Ų | 147.6 | 74% | 0.74 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 143.7 | 177.7 | 30.6 | -35 | 0 | 0 | 0 | 112.4 | ||
| 216 | P | 49.8 | Very low | 46 | Very low | 132 Ų | 132 | 147.8 Ų | 147.8 | 86% | 0.857 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 134.5 | -177.5 | 31.3 | -34.9 | 0 | 0 | 0 | 112.7 | ||
| 217 | A | 41.6 | Very low | 44.4 | Very low | 97 Ų | 97 | 147 Ų | 147 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 132 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 218 | R | 34.7 | Very low | 43.5 | Very low | 221 Ų | 221 | 149.2 Ų | 149.2 | 83% | 0.834 | 80% | 0.801 | S | S | * | * | trans | -162.6 | 140.7 | 154.4 | -119 | -174.2 | 172.8 | -171.9 | -0.9 | 116.4 | ||||
| 219 | K | 33.3 | Very low | 42.5 | Very low | 167 Ų | 167 | 147 Ų | 147 | 73% | 0.726 | 79% | 0.79 | S | S | * | * | trans | 69.7 | 116.3 | 153.8 | -66.1 | -175.6 | 175.3 | -174.1 | 0 | 119.6 | ||||
| 220 | E | 37.4 | Very low | 41.3 | Very low | 165 Ų | 165 | 145.6 Ų | 145.6 | 77% | 0.771 | 78% | 0.778 | S | S | * | * | trans | -60.8 | 145.4 | 147 | -58.9 | -172.2 | 164.3 | 0 | 0 | 111.3 | ||||
| 221 | I | 34.5 | Very low | 40.1 | Very low | 146 Ų | 146 | 148.1 Ų | 148.1 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | trans | -135.5 | 131 | 143.4 | -61.2 | -175.6 | 0 | 0 | 0 | 107.3 | ||||
| 222 | R | 36.3 | Very low | 38.7 | Very low | 213 Ų | 213 | 149.5 Ų | 149.5 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | -82 | 141.4 | -179.8 | -52.6 | 168.4 | 177.8 | -179.1 | -3 | 110.7 | ||||
| 223 | H | 30.5 | Very low | 37.2 | Very low | 183 Ų | 183 | 153.9 Ų | 153.9 | 85% | 0.847 | 78% | 0.777 | S | S | * | * | trans | -144.5 | 154.4 | 153 | -82.6 | -60 | 0 | 0 | 0 | 113.6 | ||||
| 224 | S | 30.2 | Very low | 36.1 | Very low | 115 Ų | 115 | 152.9 Ų | 152.9 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | trans | -92.4 | 165.9 | -155.3 | -51 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 225 | K | 36.6 | Very low | 34.9 | Very low | 198 Ų | 198 | 153.1 Ų | 153.1 | 86% | 0.861 | 76% | 0.762 | S | S | * | * | trans | -67.4 | 152.8 | 163.8 | -60.4 | 177.2 | -179 | 175.9 | 0 | 111.5 | ||||
| 226 | P | 38.3 | Very low | 33.9 | Very low | 118 Ų | 118 | 153.4 Ų | 153.4 | 77% | 0.766 | 75% | 0.753 | S | S | * | * | -115.9 | 152.6 | 106.8 | -8.1 | 28.1 | 0 | 0 | 0 | 112.2 | |||||
| 227 | S | 25.9 | Very low | 32.9 | Very low | 107 Ų | 107 | 157.6 Ų | 157.6 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | 77 | 130.7 | 59 | -144.1 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 228 | K | 33.1 | Very low | 32.2 | Very low | 169 Ų | 169 | 162.7 Ų | 162.7 | 74% | 0.735 | 75% | 0.75 | S | S | * | * | cis | -170.8 | 177.2 | -10.4 | -138.2 | -176.5 | 177.6 | -173.8 | 0 | 110.3 | ||||
| 229 | N | 28.1 | Very low | 32 | Very low | 128 Ų | 128 | 161.4 Ų | 161.4 | 68% | 0.684 | 75% | 0.751 | S | S | * | * | trans | 90 | 121.4 | 166 | -56 | -12.3 | 0 | 0 | 0 | 116.2 | ||||
| 230 | H | 33 | Very low | 31.8 | Very low | 142 Ų | 142 | 158.5 Ų | 158.5 | 66% | 0.657 | 76% | 0.758 | S | S | * | * | 72.7 | 130.7 | 57.1 | -64.2 | -65.5 | 0 | 0 | 0 | 111.7 | |||||
| 231 | H | 32.8 | Very low | 31.4 | Very low | 166 Ų | 166 | 154.7 Ų | 154.7 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | cis | -119.2 | 154.1 | 24.1 | -88.3 | -98.4 | 0 | 0 | 0 | 113.8 | ||||
| 232 | H | 32.4 | Very low | 31.1 | Very low | 146 Ų | 146 | 153.6 Ų | 153.6 | 68% | 0.676 | 77% | 0.768 | S | S | * | * | 52 | 139.1 | 87.3 | -96.3 | -75.6 | 0 | 0 | 0 | 113.8 | D234 | H232-D234 IonicContact ND1-OD1 3.39Š| |||
| 233 | R | 27.3 | Very low | 30.7 | Very low | 212 Ų | 212 | 149 Ų | 149 | 80% | 0.8 | 76% | 0.76 | S | S | * | * | cis | -160.1 | 144.9 | 30.7 | -172.1 | 176.2 | 177.9 | -171.1 | -3.4 | 113.7 | ||||
| 234 | D | 29.8 | Very low | 30.9 | Very low | 106 Ų | 106 | 151.2 Ų | 151.2 | 57% | 0.567 | 76% | 0.76 | S | S | * | * | trans | 15.5 | 155.8 | 150.7 | -23.4 | -33.6 | 0 | 0 | 0 | 121.8 | H232 | H232-D234 IonicContact ND1-OD1 3.39Š| ||
| 235 | E | 32.1 | Very low | 30.6 | Very low | 171 Ų | 171 | 149.7 Ų | 149.7 | 80% | 0.799 | 76% | 0.763 | S | S | * | * | cis | -150.2 | -179.2 | 17 | -125.1 | -140.4 | 179.9 | 0 | 0 | 114.4 | ||||
| 236 | E | 35.2 | Very low | 30.2 | Very low | 119 Ų | 119 | 144.3 Ų | 144.3 | 56% | 0.556 | 76% | 0.764 | S | S | * | * | trans | -15.2 | 151.7 | 164.8 | -69.1 | -82.1 | 114.4 | 0 | 0 | 118.8 | W238 | E236-W238 PolarHBondContact OE2-NE1 3.25Š| ||
| 237 | R | 27.8 | Very low | 29.7 | Very low | 220 Ų | 220 | 142.2 Ų | 142.2 | 83% | 0.83 | 76% | 0.764 | S | S | * | * | cis | -168.5 | 148 | 43.3 | -153.1 | 158.2 | -164.6 | -160.1 | -0.8 | 114.5 | ||||
| 238 | W | 26.5 | Very low | 29.8 | Very low | 205 Ų | 205 | 146.6 Ų | 146.6 | 78% | 0.777 | 77% | 0.769 | S | S | * | * | trans | -26.2 | 146.9 | 170.5 | -44.8 | 81 | 0 | 0 | 0 | 118.3 | E236 | E236-W238 PolarHBondContact OE2-NE1 3.25Š| ||
| 239 | K | 31.7 | Very low | 29.8 | Very low | 194 Ų | 194 | 147.9 Ų | 147.9 | 84% | 0.843 | 78% | 0.775 | S | S | * | * | cis | -164 | 155.5 | 48.7 | -83.3 | -170.9 | 175.2 | -177.1 | 0 | 115.2 | ||||
| 240 | A | 28 | Very low | 29.8 | Very low | 106 Ų | 106 | 153.3 Ų | 153.3 | 88% | 0.876 | 79% | 0.786 | S | S | * | * | trans | 32 | 126.1 | 141.2 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 241 | G | 29 | Very low | 29.5 | Very low | 84 Ų | 84 | 151.7 Ų | 151.7 | 87% | 0.866 | 79% | 0.79 | S | S | * | * | trans | -171.8 | 138 | 161.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 242 | S | 29.5 | Very low | 29.3 | Very low | 124 Ų | 124 | 148.3 Ų | 148.3 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | trans | -102.8 | 165.5 | -176.4 | -164.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 243 | D | 27.9 | Very low | 29 | Very low | 116 Ų | 116 | 147.2 Ų | 147.2 | 62% | 0.62 | 79% | 0.79 | S | S | * | * | trans | 83 | 111.9 | 161.2 | -143.1 | -120.7 | 0 | 0 | 0 | 120.7 | ||||
| 244 | R | 32.8 | Very low | 29.2 | Very low | 230 Ų | 230 | 145.9 Ų | 145.9 | 87% | 0.868 | 79% | 0.785 | S | S | * | * | trans | 44.4 | 124.5 | 141 | -65.1 | 171.8 | 177.7 | 164.5 | -5.5 | 121.2 | ||||
| 245 | G | 25.2 | Very low | 29.2 | Very low | 83 Ų | 83 | 146.7 Ų | 146.7 | 86% | 0.856 | 79% | 0.785 | S | S | * | * | trans | -134.2 | -26.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 246 | G | 27.8 | Very low | 29.1 | Very low | 85 Ų | 85 | 147.9 Ų | 147.9 | 88% | 0.876 | 78% | 0.782 | S | S | * | * | trans | 74 | 158.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 247 | G | 27.1 | Very low | 28.9 | Very low | 74 Ų | 74 | 148 Ų | 148 | 76% | 0.763 | 79% | 0.792 | S | S | * | * | trans | -158.9 | 18.3 | -160.1 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 248 | K | 29.5 | Very low | 29.1 | Very low | 198 Ų | 198 | 144.4 Ų | 144.4 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | trans | 48.1 | 124.7 | 158.6 | -57.3 | 167.5 | -178.6 | 164.4 | 0 | 121.4 | ||||
| 249 | K | 31.9 | Very low | 29.2 | Very low | 197 Ų | 197 | 140 Ų | 140 | 86% | 0.857 | 79% | 0.789 | S | S | * | * | 177.1 | 142.4 | 127.3 | -92.8 | 150.6 | -174.4 | -180 | 0 | 107.6 | |||||
| 250 | R | 28 | Very low | 29.7 | Very low | 242 Ų | 242 | 136.9 Ų | 136.9 | 91% | 0.913 | 79% | 0.789 | S | S | * | * | 64.7 | 136.5 | 53.4 | -74.6 | -172.7 | 169.8 | -165.4 | -3.5 | 113.3 | |||||
| 251 | S | 26.2 | Very low | 30.7 | Very low | 108 Ų | 108 | 137.5 Ų | 137.5 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | cis | -176.9 | 142.8 | -13.6 | -175.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 252 | A | 29.5 | Very low | 32 | Very low | 95 Ų | 95 | 138 Ų | 138 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | trans | 64.3 | 167.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 253 | D | 27.1 | Very low | 32.8 | Very low | 122 Ų | 122 | 138.2 Ų | 138.2 | 65% | 0.652 | 77% | 0.77 | S | S | * | * | cis | -147.9 | 166 | 12.2 | -171.9 | -144.6 | 0 | 0 | 0 | 113.3 | ||||
| 254 | R | 30.3 | Very low | 33.1 | Very low | 184 Ų | 184 | 139.2 Ų | 139.2 | 69% | 0.694 | 77% | 0.771 | S | S | * | * | trans | 90.5 | 125.3 | 142 | -124.3 | 174 | -172.8 | 93.9 | -3.6 | 124.5 | ||||
| 255 | E | 29.4 | Very low | 33.2 | Very low | 124 Ų | 124 | 136.3 Ų | 136.3 | 58% | 0.579 | 77% | 0.765 | S | S | * | * | trans | 44.2 | 145.7 | 144.1 | -72.5 | 178.1 | 84.8 | 0 | 0 | 120.6 | ||||
| 256 | R | 30.6 | Very low | 33.4 | Very low | 195 Ų | 195 | 139.3 Ų | 139.3 | 74% | 0.736 | 76% | 0.755 | S | S | * | * | cis | -150 | 166.5 | 7.7 | -115.6 | 163.2 | -167.5 | -132.8 | 2.1 | 107.4 | ||||
| 257 | T | 31.6 | Very low | 33.6 | Very low | 123 Ų | 123 | 144.3 Ų | 144.3 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | -165.4 | 155.5 | 68.4 | 38.5 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 258 | N | 31 | Very low | 33.8 | Very low | 143 Ų | 143 | 145.3 Ų | 145.3 | 77% | 0.765 | 75% | 0.75 | S | S | * | * | trans | 21.6 | 133.4 | 149.3 | -53.2 | -1.4 | 0 | 0 | 0 | 122.7 | ||||
| 259 | S | 28.8 | Very low | 33.9 | Very low | 113 Ų | 113 | 146.8 Ų | 146.8 | 79% | 0.79 | 75% | 0.75 | S | S | * | * | trans | -93.5 | 172.2 | 155.3 | -43.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 260 | P | 43.2 | Very low | 33.8 | Very low | 128 Ų | 128 | 146.2 Ų | 146.2 | 83% | 0.831 | 75% | 0.748 | S | S | * | * | -143.1 | -172.2 | 86 | 30 | -6 | 0 | 0 | 0 | 114 | |||||
| 261 | P | 47.7 | Very low | 33.9 | Very low | 120 Ų | 120 | 139.6 Ų | 139.6 | 78% | 0.779 | 74% | 0.739 | S | S | * | * | trans | -122.6 | -177.6 | -146.9 | 45.4 | -34.9 | 0 | 0 | 0 | 117.5 | ||||
| 262 | P | 57.3 | Low | 34.2 | Very low | 95 Ų | 95 | 140.4 Ų | 140.4 | 62% | 0.617 | 74% | 0.739 | S | S | * | * | trans | -111.8 | 161.9 | -168 | 41.6 | -36.1 | 0 | 0 | 0 | 118.7 | Q264 | P262-Q264 PolarHBondContact O-NE2 2.96Å; P262-Q264 VanDerWaalsContact O-NE2 3.12Å | ||
| 263 | P | 45.6 | Very low | 35 | Very low | 127 Ų | 127 | 141.1 Ų | 141.1 | 83% | 0.825 | 74% | 0.736 | S | S | * | * | trans | -75.3 | 175.3 | 160.8 | 32.7 | -33.1 | 0 | 0 | 0 | 113.3 | ||||
| 264 | Q | 34.8 | Very low | 35 | Very low | 137 Ų | 137 | 143.7 Ų | 143.7 | 64% | 0.64 | 74% | 0.743 | S | S | * | * | trans | -153.8 | 159.3 | -150.9 | -71.7 | 145 | 50.7 | 0 | 0 | 115.7 | P262 | P262-Q264 PolarHBondContact O-NE2 2.96Å; P262-Q264 VanDerWaalsContact O-NE2 3.12Å | ||
| 265 | K | 33.9 | Very low | 34.9 | Very low | 170 Ų | 170 | 140.6 Ų | 140.6 | 74% | 0.739 | 74% | 0.741 | S | S | * | * | trans | 80.5 | 165.8 | 154.8 | -66.7 | 146.1 | -177.4 | 156.2 | 0 | 116.7 | ||||
| 266 | K | 30.1 | Very low | 34.9 | Very low | 146 Ų | 146 | 139.7 Ų | 139.7 | 64% | 0.635 | 74% | 0.744 | S | S | * | * | cis | -168.3 | 164.2 | 13.5 | -135.8 | 163.5 | 168 | -167.2 | 0 | 112.6 | ||||
| 267 | H | 32.8 | Very low | 35.1 | Very low | 189 Ų | 189 | 139.4 Ų | 139.4 | 88% | 0.875 | 75% | 0.748 | S | S | * | * | trans | 69.2 | 159.4 | 155.8 | -56.8 | -40.3 | 0 | 0 | 0 | 119.7 | ||||
| 268 | S | 29.5 | Very low | 35.1 | Very low | 95 Ų | 95 | 141.1 Ų | 141.1 | 66% | 0.664 | 75% | 0.745 | S | S | * | * | cis | -168.2 | 144 | -25.1 | 174.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 269 | R | 32.6 | Very low | 35.3 | Very low | 230 Ų | 230 | 140.4 Ų | 140.4 | 87% | 0.868 | 74% | 0.737 | S | S | * | * | trans | 27.9 | 121.6 | 149.5 | -63.7 | 173.9 | 177.6 | 178.8 | -2.2 | 120.7 | ||||
| 270 | K | 29.2 | Very low | 35.6 | Very low | 185 Ų | 185 | 141.5 Ų | 141.5 | 80% | 0.804 | 73% | 0.73 | S | S | * | * | 64.5 | 111.5 | 85.7 | -177.2 | 69.2 | 179.8 | 179.5 | 0 | 112.8 | |||||
| 271 | S | 29.9 | Very low | 35.2 | Very low | 103 Ų | 103 | 142.2 Ų | 142.2 | 72% | 0.72 | 72% | 0.719 | S | S | * | * | -171.4 | 171.6 | 83.2 | -68.1 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 272 | T | 32.9 | Very low | 34.8 | Very low | 125 Ų | 125 | 145.6 Ų | 145.6 | 77% | 0.767 | 72% | 0.722 | S | S | * | * | trans | -114.7 | -178.2 | 160.9 | 53.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 273 | P | 45.9 | Very low | 33.6 | Very low | 110 Ų | 110 | 150.6 Ų | 150.6 | 71% | 0.714 | 73% | 0.734 | S | S | * | * | cis | -142.5 | -174.9 | 6.2 | 45.2 | -26.3 | 0 | 0 | 0 | 118.1 | ||||
| 274 | H | 28.6 | Very low | 32.7 | Very low | 175 Ų | 175 | 147.6 Ų | 147.6 | 81% | 0.81 | 73% | 0.726 | S | S | * | * | trans | 65.5 | 156.3 | 160.3 | -96.1 | -113 | 0 | 0 | 0 | 119.1 | ||||
| 275 | D | 27.3 | Very low | 32.3 | Very low | 120 Ų | 120 | 144.7 Ų | 144.7 | 64% | 0.642 | 73% | 0.733 | S | S | * | * | cis | -159 | 167.4 | 31.6 | -157.2 | -149.7 | 0 | 0 | 0 | 117.3 | ||||
| 276 | T | 30.2 | Very low | 32.1 | Very low | 104 Ų | 104 | 146.2 Ų | 146.2 | 64% | 0.638 | 74% | 0.743 | S | S | * | * | trans | 43.7 | 116.9 | 155.2 | 47 | 0 | 0 | 0 | 0 | 128.9 | ||||
| 277 | K | 33.4 | Very low | 32.2 | Very low | 190 Ų | 190 | 147.2 Ų | 147.2 | 83% | 0.826 | 76% | 0.755 | S | S | * | * | 85.9 | 151.1 | 105.2 | -158.8 | 173.5 | -177.8 | 179.1 | 0 | 124.9 | |||||
| 278 | K | 32.1 | Very low | 32.2 | Very low | 159 Ų | 159 | 142.1 Ų | 142.1 | 69% | 0.691 | 75% | 0.746 | S | S | * | * | trans | 84.9 | 145.3 | 168.6 | -86.9 | -151 | 172.4 | -143.6 | 0 | 118.7 | ||||
| 279 | E | 34.4 | Very low | 32.3 | Very low | 128 Ų | 128 | 149.2 Ų | 149.2 | 60% | 0.598 | 76% | 0.758 | S | S | * | * | cis | -167.4 | 158.1 | -16 | -135.2 | 177.6 | -151.2 | 0 | 0 | 115 | ||||
| 280 | E | 35.7 | Very low | 32.8 | Very low | 136 Ų | 136 | 144.1 Ų | 144.1 | 64% | 0.636 | 76% | 0.755 | S | S | * | * | trans | 55 | 159.3 | 155.6 | -62.5 | -142 | 104.9 | 0 | 0 | 122.3 | ||||
| 281 | K | 35.9 | Very low | 32.8 | Very low | 142 Ų | 142 | 146.9 Ų | 146.9 | 62% | 0.617 | 76% | 0.76 | S | S | * | * | cis | -158.5 | 145 | 2 | -138.7 | 164.6 | -177.6 | 120.7 | 0 | 114.7 | ||||
| 282 | K | 38.4 | Very low | 34.2 | Very low | 192 Ų | 192 | 147.6 Ų | 147.6 | 84% | 0.835 | 76% | 0.763 | S | S | * | * | trans | 44.2 | 140.8 | 154.2 | -74.3 | 177.7 | 176 | -176.6 | 0 | 120.6 | ||||
| 283 | K | 32.2 | Very low | 34.8 | Very low | 199 Ų | 199 | 147 Ų | 147 | 87% | 0.865 | 76% | 0.76 | S | S | * | * | cis | -141.9 | -177.8 | 31 | -123.6 | -169.3 | 173.2 | -166.4 | 0 | 110.8 | ||||
| 284 | G | 27 | Very low | 34.4 | Very low | 64 Ų | 64 | 150.3 Ų | 150.3 | 66% | 0.66 | 76% | 0.764 | S | S | * | * | cis | 121.5 | 97 | -14.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 285 | G | 26.8 | Very low | 34.3 | Very low | 77 Ų | 77 | 147.9 Ų | 147.9 | 79% | 0.794 | 76% | 0.757 | S | S | * | * | trans | 175.7 | 141.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 286 | E | 28.6 | Very low | 34.7 | Very low | 201 Ų | 201 | 147.2 Ų | 147.2 | 94% | 0.939 | 76% | 0.762 | S | S | * | * | trans | -147.9 | 176.4 | -164.6 | -61.3 | -177.5 | 127.2 | 0 | 0 | 115.3 | ||||
| 287 | D | 31.9 | Very low | 35 | Very low | 167 Ų | 167 | 148.1 Ų | 148.1 | 89% | 0.893 | 77% | 0.769 | S | S | * | * | trans | 88.9 | 162.1 | 166.6 | -128.3 | -36.1 | 0 | 0 | 0 | 120.9 | ||||
| 288 | A | 34 | Very low | 34.8 | Very low | 83 Ų | 83 | 144.4 Ų | 144.4 | 69% | 0.686 | 77% | 0.767 | S | S | * | * | trans | -151 | -169.3 | -139.4 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 289 | R | 30.2 | Very low | 34.8 | Very low | 244 Ų | 244 | 146 Ų | 146 | 92% | 0.921 | 77% | 0.774 | S | S | * | * | trans | 80.9 | 158.4 | 174.7 | -77.4 | -179.3 | 159.6 | -156.6 | -2.5 | 118.3 | ||||
| 290 | P | 44.9 | Very low | 34.8 | Very low | 122 Ų | 122 | 148.5 Ų | 148.5 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | cis | -128 | -169.9 | -13.9 | 32.4 | -10.9 | 0 | 0 | 0 | 115 | ||||
| 291 | R | 29.3 | Very low | 34.6 | Very low | 243 Ų | 243 | 149.1 Ų | 149.1 | 92% | 0.917 | 79% | 0.793 | S | S | * | * | trans | -92.4 | 174.1 | 176 | -56.9 | 174 | 174.9 | 172.5 | -4.1 | 111.5 | ||||
| 292 | P | 58.1 | Low | 34.8 | Very low | 119 Ų | 119 | 149.9 Ų | 149.9 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | cis | -128.9 | -143.3 | 4.6 | 44.4 | -24.5 | 0 | 0 | 0 | 111.2 | ||||
| 293 | P | 46.2 | Very low | 34.7 | Very low | 111 Ų | 111 | 149 Ų | 149 | 72% | 0.721 | 81% | 0.809 | S | S | * | * | cis | -136.8 | 158.3 | -16 | 38.6 | -19.3 | 0 | 0 | 0 | 119.2 | ||||
| 294 | K | 36.2 | Very low | 35.2 | Very low | 180 Ų | 180 | 146.6 Ų | 146.6 | 78% | 0.783 | 81% | 0.805 | S | S | * | * | trans | 13 | 128.2 | 136.1 | -163.8 | 172.1 | -179.3 | -174.1 | 0 | 120.4 | ||||
| 295 | D | 27.1 | Very low | 35.8 | Very low | 124 Ų | 124 | 152.6 Ų | 152.6 | 66% | 0.663 | 81% | 0.813 | S | S | * | * | -155.6 | 152 | 70.2 | -137.6 | -34.5 | 0 | 0 | 0 | 118.7 | |||||
| 296 | S | 36 | Very low | 36.2 | Very low | 107 Ų | 107 | 156.8 Ų | 156.8 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | trans | 61 | 151.9 | 161 | -67.1 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 297 | P | 37.4 | Very low | 37.1 | Very low | 122 Ų | 122 | 151.2 Ų | 151.2 | 79% | 0.792 | 80% | 0.801 | S | S | * | * | trans | -127.9 | 149.7 | -155.5 | 38.9 | -21.5 | 0 | 0 | 0 | 117.2 | ||||
| 298 | S | 27.8 | Very low | 37.8 | Very low | 112 Ų | 112 | 150.2 Ų | 150.2 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | trans | -86.6 | 160.2 | 154.9 | 48 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 299 | K | 32.5 | Very low | 38.7 | Very low | 193 Ų | 193 | 151.9 Ų | 151.9 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | trans | -110.2 | 130.9 | 172.3 | -75.2 | -169.5 | 172.3 | -161.6 | 0 | 111 | ||||
| 300 | E | 34 | Very low | 39.7 | Very low | 180 Ų | 180 | 147.6 Ų | 147.6 | 84% | 0.841 | 79% | 0.787 | S | S | * | * | trans | -124.9 | 137.7 | 154.9 | -66.6 | 170.6 | -178.5 | 0 | 0 | 105.3 | ||||
| 301 | D | 31.8 | Very low | 40.3 | Very low | 149 Ų | 149 | 145.8 Ų | 145.8 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | trans | -158.3 | 144.2 | 168.2 | -86.2 | -53.9 | 0 | 0 | 0 | 106.5 | ||||
| 302 | D | 40.6 | Very low | 41.3 | Very low | 158 Ų | 158 | 141.6 Ų | 141.6 | 85% | 0.845 | 77% | 0.766 | S | S | * | * | trans | -76.8 | 152.5 | -171.4 | -50.5 | -103.3 | 0 | 0 | 0 | 114.6 | ||||
| 303 | D | 35.6 | Very low | 41.2 | Very low | 175 Ų | 175 | 142.4 Ų | 142.4 | 94% | 0.936 | 76% | 0.759 | S | S | * | * | trans | -129.5 | 86.6 | 167.1 | -108.5 | -46.8 | 0 | 0 | 0 | 109.6 | ||||
| 304 | D | 42.9 | Very low | 42.2 | Very low | 147 Ų | 147 | 139.4 Ų | 139.4 | 79% | 0.786 | 74% | 0.741 | S | S | * | * | trans | -100.1 | 160.2 | 165.3 | -157 | -18.9 | 0 | 0 | 0 | 109.9 | ||||
| 305 | F | 39.4 | Very low | 43.8 | Very low | 190 Ų | 190 | 139.2 Ų | 139.2 | 83% | 0.833 | 74% | 0.74 | S | S | * | * | trans | -63.7 | 129.7 | -161.5 | -92.9 | -115.1 | 0 | 0 | 0 | 115.7 | ||||
| 306 | E | 36.8 | Very low | 45.7 | Very low | 166 Ų | 166 | 138.7 Ų | 138.7 | 78% | 0.776 | 74% | 0.737 | S | S | * | * | trans | -129.6 | 93 | 145.1 | -167.8 | 160.6 | -134.1 | 0 | 0 | 112.8 | H308 | E306-H308 PolarHBondContact O-N 2.97Š| ||
| 307 | A | 45.6 | Very low | 47.1 | Very low | 83 Ų | 83 | 137.7 Ų | 137.7 | 69% | 0.686 | 73% | 0.726 | S | S | * | * | trans | -76 | 103.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | P309 | A307-P309 WeakPolarHBondContact O-CD 3.45Š| ||
| 308 | H | 48.2 | Very low | 48.1 | Very low | 146 Ų | 146 | 142.1 Ų | 142.1 | 68% | 0.676 | 73% | 0.729 | S | S | * | * | trans | -95.7 | 98 | -173.8 | -136.1 | -67.2 | 0 | 0 | 0 | 112.5 | E306 M310 | E306-H308 PolarHBondContact O-N 2.97Å; H308-M310 PolarHBondContact O-N 3.34Å | ||
| 309 | P | 52.6 | Low | 49.2 | Very low | 119 Ų | 119 | 144.6 Ų | 144.6 | 77% | 0.773 | 73% | 0.733 | S | S | * | * | trans | -76 | 97.5 | -176.4 | 31.3 | -37 | 0 | 0 | 0 | 111.9 | A307 S311 | A307-P309 WeakPolarHBondContact O-CD 3.45Å; P309-S311 PolarHBondContact O-N 2.8Å | ||
| 310 | M | 50.5 | Low | 50.4 | Low | 154 Ų | 154 | 138.1 Ų | 138.1 | 76% | 0.759 | 72% | 0.716 | S | S | * | * | trans | -63.1 | 133.5 | 173.2 | -70.4 | -148.5 | -177.6 | 0 | 0 | 111.7 | H308 | H308-M310 PolarHBondContact O-N 3.34Š| ||
| 311 | S | 58.7 | Low | 50.9 | Low | 84 Ų | 84 | 135.8 Ų | 135.8 | 59% | 0.587 | 72% | 0.716 | S | S | * | * | trans | -64.9 | 146.4 | -177.5 | 77.1 | 0 | 0 | 0 | 0 | 112.6 | P309 E313 S314 | P309-S311 PolarHBondContact O-N 2.8Å; S311-E313 PolarHBondContact O-N 2.97Å; S311-S314 WeakPolarHBondContact O-CB 3.44Å; S311-S314 PolarHBondContact O-N 3.04Å | ||
| 312 | F | 48.7 | Very low | 51.9 | Low | 155 Ų | 155 | 134.7 Ų | 134.7 | 68% | 0.68 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -51.6 | -31 | -176.4 | -179.5 | -103.5 | 0 | 0 | 0 | 114.8 | S314 F315 L316 | F312-S314 VanDerWaalsContact C-N 3.28Å; F312-S314 PolarHBondContact O-N 2.83Å; F312-F315 PolarHBondContact O-N 3.19Å; F312-L316 HydrophobicContact CD1-CD1 4.09Å; F312-L316 HydrophobicContact CE1-CD1 3.5Å; F312-L316 VanDerWaalsContact CE1-CD1 3.5Å; F312-L316 HydrophobicContact CE1-CG 4.37Å; F312-L316 HydrophobicContact CZ-CD1 3.85Å; F312-L316 HydrophobicContact CZ-CG 4.45Å |
| 313 | E | 56.5 | Low | 51.9 | Low | 135 Ų | 135 | 133 Ų | 133 | 63% | 0.631 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -66.7 | -28.2 | 178.7 | -146.2 | 78.6 | 175.9 | 0 | 0 | 112.6 | S311 L316 T317 | S311-E313 PolarHBondContact O-N 2.97Å; E313-L316 PolarHBondContact O-N 3.21Å; E313-T317 PolarHBondContact O-OG1 3.33Å |
| 314 | S | 66.7 | Low | 52.1 | Low | 49 Ų | 49 | 131.5 Ų | 131.5 | 34% | 0.343 | 71% | 0.709 | S | S | . | * | H | α-helix | trans | -63.9 | -47.8 | 176.3 | -173.5 | 0 | 0 | 0 | 0 | 111.1 | S311 F312 L316 T317 | S311-S314 WeakPolarHBondContact O-CB 3.44Å; S311-S314 PolarHBondContact O-N 3.04Å; F312-S314 VanDerWaalsContact C-N 3.28Å; F312-S314 PolarHBondContact O-N 2.83Å; S314-L316 PolarHBondContact O-N 3.45Å; S314-T317 PolarHBondContact O-N 2.98Å; S314-T317 VanDerWaalsContact O-N 3.14Å |
| 315 | F | 70.8 | Confident | 51.9 | Low | 175 Ų | 175 | 134.4 Ų | 134.4 | 77% | 0.768 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -63.7 | -24.2 | -177.8 | -165.1 | -96.3 | 0 | 0 | 0 | 113.3 | F312 | F312-F315 PolarHBondContact O-N 3.19Å |
| 316 | L | 65.9 | Low | 51.9 | Low | 113 Ų | 113 | 135.3 Ų | 135.3 | 59% | 0.592 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | -5.9 | 179.5 | -63.1 | -176.4 | 0 | 0 | 0 | 114.5 | F312 E313 S314 | F312-L316 HydrophobicContact CD1-CD1 4.09Å; F312-L316 HydrophobicContact CE1-CD1 3.5Å; F312-L316 VanDerWaalsContact CE1-CD1 3.5Å; F312-L316 HydrophobicContact CE1-CG 4.37Å; F312-L316 HydrophobicContact CZ-CD1 3.85Å; F312-L316 HydrophobicContact CZ-CG 4.45Å; E313-L316 PolarHBondContact O-N 3.21Å; S314-L316 PolarHBondContact O-N 3.45Å |
| 317 | T | 65.3 | Low | 51.7 | Low | 86 Ų | 86 | 137 Ų | 137 | 53% | 0.528 | 72% | 0.724 | S | S | . | * | S | Bend | trans | -120 | 8.8 | -173 | -37.4 | 0 | 0 | 0 | 0 | 113 | E313 S314 D319 A320 | E313-T317 PolarHBondContact O-OG1 3.33Å; S314-T317 PolarHBondContact O-N 2.98Å; S314-T317 VanDerWaalsContact O-N 3.14Å; T317-D319 VanDerWaalsContact C-N 3.27Å; T317-D319 PolarHBondContact O-N 2.84Å; T317-A320 HydrophobicContact CG2-CB 4.18Å; T317-A320 PolarHBondContact O-N 3.09Å |
| 318 | Y | 59.8 | Low | 50.9 | Low | 215 Ų | 215 | 142.4 Ų | 142.4 | 84% | 0.843 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | -21.6 | -170 | -150.9 | -92.9 | 0 | 0 | 0 | 115 | ||
| 319 | D | 51.3 | Low | 50.1 | Low | 165 Ų | 165 | 143.8 Ų | 143.8 | 88% | 0.882 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.8 | 26.1 | -174 | -162.1 | 29.4 | 0 | 0 | 0 | 112.9 | T317 | T317-D319 VanDerWaalsContact C-N 3.27Å; T317-D319 PolarHBondContact O-N 2.84Å |
| 320 | A | 56.6 | Low | 48.9 | Very low | 57 Ų | 57 | 147.1 Ų | 147.1 | 47% | 0.471 | 74% | 0.741 | S | S | . | * | trans | -104.1 | 113.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | T317 T322 | T317-A320 HydrophobicContact CG2-CB 4.18Å; T317-A320 PolarHBondContact O-N 3.09Å; A320-T322 PolarHBondContact O-N 3.01Å | ||
| 321 | P | 43.8 | Very low | 47.9 | Very low | 130 Ų | 130 | 146.7 Ų | 146.7 | 84% | 0.844 | 74% | 0.737 | S | S | * | * | trans | -69.8 | 121.3 | -177.3 | 26.6 | -33.8 | 0 | 0 | 0 | 112 | ||||
| 322 | T | 53 | Low | 47 | Very low | 126 Ų | 126 | 148.3 Ų | 148.3 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | trans | -88.3 | 135 | -175.8 | 54.3 | 0 | 0 | 0 | 0 | 112.7 | A320 V324 | A320-T322 PolarHBondContact O-N 3.01Å; T322-V324 PolarHBondContact O-N 3.02Å | ||
| 323 | P | 40.6 | Very low | 46 | Very low | 123 Ų | 123 | 145.7 Ų | 145.7 | 80% | 0.799 | 75% | 0.746 | S | S | * | * | trans | -84.5 | 112.2 | -178.3 | 31.3 | -33.6 | 0 | 0 | 0 | 112.7 | ||||
| 324 | V | 39.8 | Very low | 44.6 | Very low | 143 Ų | 143 | 144.3 Ų | 144.3 | 87% | 0.867 | 75% | 0.752 | S | S | * | * | trans | -66.7 | 135.8 | 176.7 | -81.3 | 0 | 0 | 0 | 0 | 114 | T322 | T322-V324 PolarHBondContact O-N 3.02Š| ||
| 325 | K | 39.9 | Very low | 42.8 | Very low | 208 Ų | 208 | 147.4 Ų | 147.4 | 90% | 0.904 | 77% | 0.773 | S | S | * | * | trans | -131.3 | 153.9 | 165.3 | -74 | -172.8 | 177 | 178.2 | 0 | 111.1 | ||||
| 326 | K | 38.1 | Very low | 40.7 | Very low | 209 Ų | 209 | 144.9 Ų | 144.9 | 91% | 0.909 | 78% | 0.777 | S | S | * | * | trans | -99.5 | 177.1 | -161.8 | -60.4 | 179 | 177.9 | 178.8 | 0 | 113.9 | ||||
| 327 | K | 33.6 | Very low | 39.1 | Very low | 203 Ų | 203 | 148.8 Ų | 148.8 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | trans | 80.3 | 149.3 | 173.6 | -94.4 | 175 | 177.9 | 173.3 | 0 | 115 | ||||
| 328 | K | 28.8 | Very low | 37.4 | Very low | 196 Ų | 196 | 150.1 Ų | 150.1 | 85% | 0.852 | 81% | 0.805 | S | S | * | * | cis | -143.4 | 152.7 | 6.2 | -166.9 | 179.7 | 173.1 | -170.3 | 0 | 111.8 | ||||
| 329 | K | 30.5 | Very low | 35.9 | Very low | 175 Ų | 175 | 149.3 Ų | 149.3 | 76% | 0.761 | 81% | 0.806 | S | S | * | * | trans | -78 | 146.6 | 179.8 | 168.6 | -176.1 | 177.4 | 179.9 | 0 | 113.9 | ||||
| 330 | Q | 28.3 | Very low | 35.8 | Very low | 189 Ų | 189 | 146.5 Ų | 146.5 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | trans | -147.8 | 152.1 | 145 | -113.9 | 168.4 | 1.9 | 0 | 0 | 111.9 | ||||
| 331 | Q | 30 | Very low | 34.6 | Very low | 145 Ų | 145 | 148.8 Ų | 148.8 | 68% | 0.678 | 81% | 0.809 | S | S | * | * | trans | -176.5 | 173.6 | -166.5 | -93.4 | -75.9 | -27 | 0 | 0 | 104.5 | ||||
| 332 | P | 38.8 | Very low | 34.1 | Very low | 117 Ų | 117 | 151.5 Ų | 151.5 | 76% | 0.76 | 81% | 0.81 | S | S | * | * | cis | -90.7 | -156 | 15.7 | 43.6 | -41.6 | 0 | 0 | 0 | 111.7 | ||||
| 333 | S | 27.1 | Very low | 32.9 | Very low | 101 Ų | 101 | 150.7 Ų | 150.7 | 71% | 0.706 | 81% | 0.81 | S | S | * | * | cis | -147.9 | -172.5 | 5.6 | 61.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 334 | S | 28 | Very low | 32.4 | Very low | 106 Ų | 106 | 150.1 Ų | 150.1 | 74% | 0.741 | 81% | 0.809 | S | S | * | * | cis | -151.8 | -167.8 | 9.3 | 59.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 335 | S | 28.5 | Very low | 31.9 | Very low | 114 Ų | 114 | 149.4 Ų | 149.4 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | -162.8 | 124.4 | -91.7 | 51.3 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 336 | S | 27.7 | Very low | 31.3 | Very low | 122 Ų | 122 | 142.6 Ų | 142.6 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | trans | -144 | 148.7 | 171.2 | 53.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 337 | H | 31.9 | Very low | 30.9 | Very low | 195 Ų | 195 | 138 Ų | 138 | 90% | 0.903 | 79% | 0.793 | S | S | * | * | trans | -97.2 | 163.1 | 177.4 | -69.5 | -55.8 | 0 | 0 | 0 | 109.8 | ||||
| 338 | S | 29.2 | Very low | 30.9 | Very low | 114 Ų | 114 | 133.7 Ų | 133.7 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | -162.4 | -173 | 57.3 | 58.8 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 339 | K | 28.3 | Very low | 31.1 | Very low | 197 Ų | 197 | 129.1 Ų | 129.1 | 86% | 0.857 | 78% | 0.782 | S | S | * | * | trans | -135.5 | -168.6 | 175 | -62.7 | -170.8 | 173.7 | -174.7 | 0 | 107.2 | ||||
| 340 | P | 49.1 | Very low | 31.2 | Very low | 107 Ų | 107 | 132.4 Ų | 132.4 | 70% | 0.695 | 79% | 0.789 | S | S | * | * | cis | -145.7 | 172.8 | 0.1 | 43 | -23.9 | 0 | 0 | 0 | 119.3 | ||||
| 341 | S | 31.5 | Very low | 31.4 | Very low | 104 Ų | 104 | 132.5 Ų | 132.5 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | 71.2 | 156.8 | 145.2 | 74.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 342 | Q | 34.4 | Very low | 31.3 | Very low | 187 Ų | 187 | 132.9 Ų | 132.9 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | cis | -109.3 | -137.2 | 6.2 | -51.4 | -177.2 | 6.3 | 0 | 0 | 111 | ||||
| 343 | S | 26.3 | Very low | 30.8 | Very low | 110 Ų | 110 | 137 Ų | 137 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | cis | -143.6 | -113.4 | -1.2 | 57.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 344 | S | 31 | Very low | 31.4 | Very low | 111 Ų | 111 | 138.3 Ų | 138.3 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | -155.3 | 156.2 | -168.8 | 57.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 345 | S | 29.3 | Very low | 31.4 | Very low | 127 Ų | 127 | 140 Ų | 140 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | cis | -131.5 | -151.9 | 12.9 | 67.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 346 | G | 27.2 | Very low | 31.4 | Very low | 66 Ų | 66 | 138.3 Ų | 138.3 | 68% | 0.68 | 80% | 0.8 | S | S | * | * | cis | -177.9 | -137.2 | 12.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 347 | S | 30.2 | Very low | 31.6 | Very low | 111 Ų | 111 | 137.9 Ų | 137.9 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | trans | -75.8 | 124.3 | -171 | 51.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 348 | S | 32 | Very low | 31.5 | Very low | 113 Ų | 113 | 134.3 Ų | 134.3 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | 81.7 | 143.7 | 81.6 | 103.9 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 349 | S | 33.4 | Very low | 31.4 | Very low | 101 Ų | 101 | 133.7 Ų | 133.7 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | cis | -161.8 | 159.7 | -5.5 | -167 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 350 | R | 32.2 | Very low | 31.6 | Very low | 244 Ų | 244 | 128.6 Ų | 128.6 | 92% | 0.921 | 78% | 0.778 | S | S | * | * | trans | 68.3 | 160.6 | 163.6 | -79.5 | 176.7 | 170.9 | 175.5 | -3 | 119.7 | ||||
| 351 | Q | 33.8 | Very low | 30.8 | Very low | 190 Ų | 190 | 129 Ų | 129 | 89% | 0.888 | 78% | 0.784 | S | S | * | * | trans | -112 | 168.1 | -172.5 | -59.9 | 169.9 | -61.5 | 0 | 0 | 112.1 | ||||
| 352 | N | 28.3 | Very low | 30.9 | Very low | 154 Ų | 154 | 129.9 Ų | 129.9 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | trans | 101.5 | 148.9 | 140.4 | -149.2 | 9 | 0 | 0 | 0 | 118.5 | ||||
| 353 | R | 27.4 | Very low | 30.9 | Very low | 204 Ų | 204 | 125.6 Ų | 125.6 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | trans | 73.5 | 93.9 | 174.7 | -52.3 | -169 | 77.9 | -152.2 | 5.8 | 119.6 | ||||
| 354 | T | 38.8 | Very low | 31.2 | Very low | 127 Ų | 127 | 129.7 Ų | 129.7 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | 24 | 98 | 120.7 | 58.2 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 355 | T | 29.2 | Very low | 31.3 | Very low | 141 Ų | 141 | 128.8 Ų | 128.8 | 87% | 0.865 | 78% | 0.784 | S | S | * | * | trans | -173.8 | 167.2 | 150.5 | 31.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 356 | A | 29.1 | Very low | 31.5 | Very low | 79 Ų | 79 | 130.8 Ų | 130.8 | 65% | 0.653 | 79% | 0.785 | S | S | * | * | cis | 176.4 | 151.1 | -39.4 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 357 | S | 31.5 | Very low | 31.6 | Very low | 113 Ų | 113 | 137.5 Ų | 137.5 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | trans | 74 | 165.1 | 154 | 81.6 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 358 | S | 28.5 | Very low | 31.6 | Very low | 121 Ų | 121 | 136.3 Ų | 136.3 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | trans | 71.7 | 145 | -177.6 | 75.9 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 359 | S | 28.3 | Very low | 31.4 | Very low | 100 Ų | 100 | 138.9 Ų | 138.9 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | cis | -134.4 | 161 | 16.2 | 65.8 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 360 | S | 31.9 | Very low | 31.1 | Very low | 90 Ų | 90 | 137.3 Ų | 137.3 | 63% | 0.629 | 80% | 0.797 | S | S | * | * | trans | 49 | 105.4 | 140.4 | 61 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 361 | S | 33.1 | Very low | 30.9 | Very low | 117 Ų | 117 | 130.8 Ų | 130.8 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | 73.9 | 142.7 | 83.2 | 75.9 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 362 | S | 32.2 | Very low | 30.9 | Very low | 122 Ų | 122 | 130.4 Ų | 130.4 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | cis | -139.5 | -171.8 | 11.9 | 65.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 363 | S | 34.8 | Very low | 30.9 | Very low | 97 Ų | 97 | 127.9 Ų | 127.9 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | trans | -156.6 | 172 | -162.3 | 59.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 364 | K | 33.7 | Very low | 31 | Very low | 196 Ų | 196 | 123.5 Ų | 123.5 | 85% | 0.852 | 78% | 0.782 | S | S | * | * | trans | 99.3 | 154 | 163.3 | -61.5 | 165.3 | -175.3 | 177.2 | 0 | 116.8 | ||||
| 365 | A | 33 | Very low | 30.7 | Very low | 91 Ų | 91 | 126.3 Ų | 126.3 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | cis | -171.2 | 170.7 | -25 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 366 | N | 33.8 | Very low | 30.9 | Very low | 170 Ų | 170 | 130 Ų | 130 | 91% | 0.909 | 78% | 0.782 | S | S | * | * | trans | -57.6 | 156.5 | 171.2 | -68.5 | -12 | 0 | 0 | 0 | 113.5 | ||||
| 367 | K | 28.3 | Very low | 31 | Very low | 206 Ų | 206 | 131.2 Ų | 131.2 | 90% | 0.896 | 79% | 0.785 | S | S | * | * | trans | -141.6 | 144.2 | 165 | -169.3 | 171 | -176.9 | 177.8 | 0 | 111.2 | ||||
| 368 | A | 30.6 | Very low | 31.2 | Very low | 86 Ų | 86 | 133.2 Ų | 133.2 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | trans | -138.7 | 147 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 369 | N | 27.8 | Very low | 31.3 | Very low | 168 Ų | 168 | 133 Ų | 133 | 90% | 0.898 | 78% | 0.78 | S | S | * | * | trans | 46.4 | 147.9 | 167.5 | -68.6 | -2 | 0 | 0 | 0 | 120.8 | ||||
| 370 | G | 25.7 | Very low | 31.5 | Very low | 68 Ų | 68 | 133.8 Ų | 133.8 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | trans | 141.8 | 80.6 | 160.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 371 | S | 29.3 | Very low | 31.4 | Very low | 107 Ų | 107 | 134.5 Ų | 134.5 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | trans | 35.2 | 126 | 137.9 | 56.4 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 372 | Q | 32.9 | Very low | 31.4 | Very low | 181 Ų | 181 | 139.7 Ų | 139.7 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | 81.9 | 115.3 | 128.7 | -73.4 | -177.4 | -20.9 | 0 | 0 | 124.1 | |||||
| 373 | S | 29.3 | Very low | 31.4 | Very low | 102 Ų | 102 | 138.2 Ų | 138.2 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | 103.9 | 119.9 | 118.2 | 75.8 | 0 | 0 | 0 | 0 | 123 | |||||
| 374 | S | 30.1 | Very low | 31.2 | Very low | 112 Ų | 112 | 138.6 Ų | 138.6 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | trans | 66.4 | 158.1 | 152.5 | 86.6 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 375 | K | 31.7 | Very low | 31.2 | Very low | 186 Ų | 186 | 137.7 Ų | 137.7 | 81% | 0.809 | 77% | 0.774 | S | S | * | * | cis | -155.2 | 141.1 | 6.7 | -147.7 | 168.3 | -175.2 | 177.3 | 0 | 110.5 | ||||
| 376 | R | 34 | Very low | 31.6 | Very low | 219 Ų | 219 | 138.6 Ų | 138.6 | 83% | 0.826 | 77% | 0.772 | S | S | * | * | trans | 12.2 | 151 | 154.7 | -58.3 | -175.9 | 174.8 | 176.3 | -3.6 | 120.4 | ||||
| 377 | S | 31.2 | Very low | 31.8 | Very low | 103 Ų | 103 | 138.3 Ų | 138.3 | 72% | 0.72 | 76% | 0.763 | S | S | * | * | cis | -166 | 149.2 | 48.7 | -50.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 378 | H | 34.4 | Very low | 32.4 | Very low | 156 Ų | 156 | 134.6 Ų | 134.6 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | trans | 34.3 | 139.4 | 146.6 | -69.3 | -88.3 | 0 | 0 | 0 | 121.2 | D380 | H378-D380 IonicContact CE1-OD2 3.85Å; H378-D380 IonicContact ND1-OD2 3.43Å; H378-D380 PolarHBondContact ND1-OD2 3.32Å; H378-D380 VanDerWaalsContact ND1-OD2 3.16Å | ||
| 379 | S | 32.1 | Very low | 32.6 | Very low | 117 Ų | 117 | 137.5 Ų | 137.5 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | -139 | 161.5 | 56.1 | 56.4 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 380 | D | 31.3 | Very low | 32.9 | Very low | 115 Ų | 115 | 139.2 Ų | 139.2 | 62% | 0.615 | 76% | 0.758 | S | S | * | * | trans | -62.2 | 161.8 | 178.1 | -64.4 | -104.3 | 0 | 0 | 0 | 114.3 | H378 | H378-D380 IonicContact CE1-OD2 3.85Å; H378-D380 IonicContact ND1-OD2 3.43Å; H378-D380 PolarHBondContact ND1-OD2 3.32Å; H378-D380 VanDerWaalsContact ND1-OD2 3.16Å | ||
| 381 | S | 30.2 | Very low | 33.4 | Very low | 105 Ų | 105 | 146.7 Ų | 146.7 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | cis | -159 | 141.7 | 46.9 | -57.3 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 382 | R | 33.3 | Very low | 33.6 | Very low | 226 Ų | 226 | 150.1 Ų | 150.1 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | trans | 31.9 | 139.8 | 134 | -56.8 | 176.2 | 75.8 | 171.7 | 4.1 | 120.5 | ||||
| 383 | S | 31.3 | Very low | 33.6 | Very low | 91 Ų | 91 | 153 Ų | 153 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | cis | -174 | 156.8 | -2 | 45.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 384 | S | 31.1 | Very low | 33.6 | Very low | 105 Ų | 105 | 154 Ų | 154 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | trans | 56 | 137.4 | 147.8 | 55.8 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 385 | E | 33.4 | Very low | 33.7 | Very low | 178 Ų | 178 | 155.1 Ų | 155.1 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | cis | -159.9 | -154.2 | -1.7 | -138.9 | -177.7 | 168.3 | 0 | 0 | 110.8 | ||||
| 386 | P | 41 | Very low | 33.7 | Very low | 109 Ų | 109 | 155.1 Ų | 155.1 | 71% | 0.708 | 78% | 0.776 | S | S | * | * | -104 | 170.8 | -101.4 | 25.4 | -3.4 | 0 | 0 | 0 | 116.9 | |||||
| 387 | K | 38.5 | Very low | 33.8 | Very low | 165 Ų | 165 | 149.3 Ų | 149.3 | 72% | 0.717 | 77% | 0.774 | S | S | * | * | trans | -75.9 | 151.9 | 169.1 | -117.6 | -175.2 | -174.2 | -175.3 | 0 | 111.8 | E389 | K387-E389 HydrophobicContact CD-CG 4.21Å; K387-E389 WeakPolarHBondContact CE-OE1 3.5Å; K387-E389 IonicContact NZ-OE1 3.67Å; K387-E389 PolarHBondContact NZ-OE1 3.43Å | ||
| 388 | P | 41.4 | Very low | 33.8 | Very low | 128 Ų | 128 | 152.2 Ų | 152.2 | 83% | 0.831 | 78% | 0.781 | S | S | * | * | -143.3 | 163.2 | 104.8 | 38.1 | -25.2 | 0 | 0 | 0 | 115 | |||||
| 389 | E | 34.1 | Very low | 34.2 | Very low | 147 Ų | 147 | 150.7 Ų | 150.7 | 69% | 0.687 | 79% | 0.785 | S | S | * | * | trans | -100.3 | 137.2 | -172.5 | -66 | 178.1 | 177.1 | 0 | 0 | 114.7 | K387 | K387-E389 HydrophobicContact CD-CG 4.21Å; K387-E389 WeakPolarHBondContact CE-OE1 3.5Å; K387-E389 IonicContact NZ-OE1 3.67Å; K387-E389 PolarHBondContact NZ-OE1 3.43Å | ||
| 390 | K | 33.8 | Very low | 34.5 | Very low | 203 Ų | 203 | 151.8 Ų | 151.8 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | trans | -147.1 | 111.8 | 163.1 | -73.6 | -174.7 | -178.7 | 169.1 | 0 | 113.5 | ||||
| 391 | R | 36.8 | Very low | 35 | Very low | 225 Ų | 225 | 154.2 Ų | 154.2 | 85% | 0.849 | 80% | 0.799 | S | S | * | * | trans | 60.9 | 133.7 | 134.6 | -75 | -178.8 | 165.2 | -171 | -5.8 | 122.9 | ||||
| 392 | K | 34.3 | Very low | 35.6 | Very low | 180 Ų | 180 | 157.3 Ų | 157.3 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | trans | 83 | 126 | 142 | -71.5 | 173.8 | 174.2 | -168.4 | 0 | 122.4 | ||||
| 393 | R | 32.7 | Very low | 36.4 | Very low | 242 Ų | 242 | 153.8 Ų | 153.8 | 91% | 0.913 | 80% | 0.804 | S | S | * | * | -142.7 | 140.8 | 128.3 | -94.6 | -174.2 | 168.8 | -173.7 | -4.8 | 106.7 | |||||
| 394 | V | 28.9 | Very low | 37.5 | Very low | 121 Ų | 121 | 156.1 Ų | 156.1 | 73% | 0.733 | 81% | 0.808 | S | S | * | * | cis | 92.3 | 96.2 | 18.3 | -174 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 395 | V | 31.7 | Very low | 38.4 | Very low | 137 Ų | 137 | 156.8 Ų | 156.8 | 83% | 0.83 | 81% | 0.81 | S | S | * | * | trans | -159.5 | 143.3 | 158.6 | 178.8 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 396 | E | 31.8 | Very low | 39.1 | Very low | 186 Ų | 186 | 156 Ų | 156 | 87% | 0.869 | 81% | 0.811 | S | S | * | * | cis | -156.7 | 150 | -33.7 | -175.9 | 165 | 147.3 | 0 | 0 | 105.9 | ||||
| 397 | A | 35.9 | Very low | 39.8 | Very low | 96 Ų | 96 | 156.4 Ų | 156.4 | 79% | 0.793 | 81% | 0.814 | S | S | * | * | trans | -145 | 134.8 | -168.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 398 | L | 31.1 | Very low | 40.8 | Very low | 165 Ų | 165 | 153.3 Ų | 153.3 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 156 | 165 | -78.7 | 172.8 | 0 | 0 | 0 | 110.8 | ||
| 399 | P | 44.7 | Very low | 41.8 | Very low | 124 Ų | 124 | 154.9 Ų | 154.9 | 81% | 0.805 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 138.7 | -149.1 | 29.5 | -36 | 0 | 0 | 0 | 114.9 | ||
| 400 | T | 36.5 | Very low | 43.1 | Very low | 139 Ų | 139 | 155.5 Ų | 155.5 | 85% | 0.853 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 159 | 163.6 | -58.3 | 0 | 0 | 0 | 0 | 110 | ||
| 401 | L | 43.2 | Very low | 44.4 | Very low | 166 Ų | 166 | 151.8 Ų | 151.8 | 87% | 0.869 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 158.5 | -171.4 | -69.1 | 169.3 | 0 | 0 | 0 | 114.7 | D403 | L401-D403 PolarHBondContact O-N 2.93Š|
| 402 | L | 42.6 | Very low | 45.4 | Very low | 170 Ų | 170 | 148 Ų | 148 | 89% | 0.89 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 126.2 | 176.5 | -65.4 | 164.6 | 0 | 0 | 0 | 111.3 | ||
| 403 | D | 48.8 | Very low | 46.3 | Very low | 152 Ų | 152 | 148.8 Ų | 148.8 | 81% | 0.813 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 136.1 | 175.1 | -169.4 | 15.5 | 0 | 0 | 0 | 110.7 | L401 | L401-D403 PolarHBondContact O-N 2.93Š|
| 404 | I | 54.6 | Low | 47.7 | Very low | 140 Ų | 140 | 148 Ų | 148 | 72% | 0.718 | 81% | 0.811 | S | S | * | * | trans | -118.5 | 110.1 | 179.4 | -59.5 | 178 | 0 | 0 | 0 | 107.3 | L406 | I404-L406 PolarHBondContact O-N 2.84Å; I404-L406 VanDerWaalsContact O-N 3.13Å | ||
| 405 | P | 50.8 | Low | 48.7 | Very low | 120 Ų | 120 | 146.8 Ų | 146.8 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | trans | -68.8 | 114.4 | -172.5 | 26.5 | -34 | 0 | 0 | 0 | 111.5 | ||||
| 406 | L | 48.3 | Very low | 49.3 | Very low | 162 Ų | 162 | 148.2 Ų | 148.2 | 85% | 0.848 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 145.6 | 169.4 | -72.9 | 168 | 0 | 0 | 0 | 110.6 | I404 | I404-L406 PolarHBondContact O-N 2.84Å; I404-L406 VanDerWaalsContact O-N 3.13Å |
| 407 | P | 54.7 | Low | 50.2 | Low | 117 Ų | 117 | 145 Ų | 145 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 148.2 | -175.5 | 27.2 | -35.1 | 0 | 0 | 0 | 112.6 | I409 | P407-I409 PolarHBondContact O-N 3.27Š|
| 408 | A | 61 | Low | 50.3 | Low | 100 Ų | 100 | 145.8 Ų | 145.8 | 83% | 0.826 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 129.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q410 | A408-Q410 PolarHBondContact O-N 3.1Š|
| 409 | I | 60.9 | Low | 51 | Low | 160 Ų | 160 | 145.4 Ų | 145.4 | 82% | 0.821 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 128.3 | 175.6 | -58.6 | 172.1 | 0 | 0 | 0 | 109 | P407 | P407-I409 PolarHBondContact O-N 3.27Š|
| 410 | Q | 62.1 | Low | 50.9 | Low | 160 Ų | 160 | 146.6 Ų | 146.6 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 147.5 | -178.8 | -70.8 | -167 | 1.3 | 0 | 0 | 112.6 | A408 N412 | A408-Q410 PolarHBondContact O-N 3.1Å; Q410-N412 PolarHBondContact O-N 3.34Å |
| 411 | P | 61.4 | Low | 50.9 | Low | 125 Ų | 125 | 146.2 Ų | 146.2 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | -2.8 | -168.7 | 28.2 | -36.7 | 0 | 0 | 0 | 116 | ||
| 412 | N | 57.2 | Low | 51.1 | Low | 147 Ų | 147 | 143.4 Ų | 143.4 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | 25.1 | -172.9 | -75.9 | 33.4 | 0 | 0 | 0 | 114.3 | Q410 R414 | Q410-N412 PolarHBondContact O-N 3.34Å; N412-R414 PolarHBondContact O-N 3.47Å; N412-R414 VanDerWaalsContact O-N 3.15Å |
| 413 | Y | 52.6 | Low | 51.1 | Low | 195 Ų | 195 | 144.2 Ų | 144.2 | 77% | 0.765 | 79% | 0.793 | S | S | * | * | trans | -75.7 | 100.8 | 173.1 | -167.7 | -94.1 | 0 | 0 | 0 | 111.4 | P415 | Y413-P415 HydrophobicContact CE1-CB 4.42Å; Y413-P415 WeakPolarHBondContact O-CD 3.46Å | ||
| 414 | R | 63.3 | Low | 50.3 | Low | 226 Ų | 226 | 142.1 Ų | 142.1 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | trans | -101 | 104.5 | 177.5 | -168 | -180 | -167.9 | -179.3 | 4.8 | 109.8 | N412 | N412-R414 PolarHBondContact O-N 3.47Å; N412-R414 VanDerWaalsContact O-N 3.15Å | ||
| 415 | P | 50.4 | Low | 49.8 | Very low | 96 Ų | 96 | 140.5 Ų | 140.5 | 62% | 0.623 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 140.1 | 178.4 | 26.1 | -33.6 | 0 | 0 | 0 | 111 | Y413 | Y413-P415 HydrophobicContact CE1-CB 4.42Å; Y413-P415 WeakPolarHBondContact O-CD 3.46Å |
| 416 | L | 43.7 | Very low | 48.9 | Very low | 167 Ų | 167 | 143 Ų | 143 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 144.7 | 179 | -73.7 | 166.9 | 0 | 0 | 0 | 111.1 | ||
| 417 | P | 49.5 | Very low | 48.1 | Very low | 119 Ų | 119 | 144.5 Ų | 144.5 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 138.4 | 172.9 | -18.9 | 31.9 | 0 | 0 | 0 | 111.7 | ||
| 418 | S | 38.9 | Very low | 47.3 | Very low | 112 Ų | 112 | 149.1 Ų | 149.1 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 134.4 | 170 | -170.3 | 0 | 0 | 0 | 0 | 110.3 | ||
| 419 | I | 46.3 | Very low | 46.1 | Very low | 156 Ų | 156 | 153.3 Ų | 153.3 | 80% | 0.8 | 79% | 0.786 | S | S | * | * | trans | -103.9 | 98.9 | -177.8 | -166.1 | 168.2 | 0 | 0 | 0 | 110.9 | ||||
| 420 | D | 42.8 | Very low | 44.9 | Very low | 150 Ų | 150 | 151.9 Ų | 151.9 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | trans | -82.5 | 114.9 | 176 | -73.4 | -32.2 | 0 | 0 | 0 | 110.9 | ||||
| 421 | T | 35.7 | Very low | 44 | Very low | 131 Ų | 131 | 149.9 Ų | 149.9 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | -150.8 | 138 | 164.3 | -75 | 0 | 0 | 0 | 0 | 110 | ||||
| 422 | P | 48.6 | Very low | 43 | Very low | 106 Ų | 106 | 150.1 Ų | 150.1 | 69% | 0.688 | 79% | 0.785 | S | S | * | * | trans | -125.3 | 146.3 | -145.2 | 37.5 | -21.8 | 0 | 0 | 0 | 116.4 | ||||
| 423 | L | 41.3 | Very low | 41.6 | Very low | 188 Ų | 188 | 149.3 Ų | 149.3 | 98% | 0.984 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -132.6 | 51.2 | 165 | -78.3 | 179.7 | 0 | 0 | 0 | 113.6 | ||
| 424 | S | 32.6 | Very low | 40.7 | Very low | 108 Ų | 108 | 146.6 Ų | 146.6 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -155.3 | 140.9 | 144.1 | -160.4 | 0 | 0 | 0 | 0 | 108.7 | ||
| 425 | P | 43.2 | Very low | 39.6 | Very low | 106 Ų | 106 | 142.3 Ų | 142.3 | 69% | 0.688 | 78% | 0.782 | S | S | * | * | trans | -99.1 | 133 | -144.3 | 34.5 | -34.9 | 0 | 0 | 0 | 116.8 | ||||
| 426 | Q | 32 | Very low | 39.2 | Very low | 171 Ų | 171 | 145.1 Ų | 145.1 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | trans | 68.7 | 141 | 148 | -62.1 | -171.3 | 16.7 | 0 | 0 | 118 | ||||
| 427 | R | 32.3 | Very low | 39 | Very low | 195 Ų | 195 | 146 Ų | 146 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | cis | -153.3 | 143.3 | 10.2 | -126.6 | 160.1 | 74.7 | 165 | 5.1 | 111.8 | ||||
| 428 | R | 37.5 | Very low | 39.3 | Very low | 213 Ų | 213 | 148 Ų | 148 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | 13.9 | 144.9 | 141.9 | -51.6 | 172 | -175.6 | 176.4 | -0.5 | 118.8 | ||||
| 429 | K | 36.6 | Very low | 39.5 | Very low | 188 Ų | 188 | 147.4 Ų | 147.4 | 82% | 0.817 | 79% | 0.792 | S | S | * | * | cis | -172 | 150.3 | -7.5 | -106.1 | -174.7 | 179.1 | -169.8 | 0 | 107.6 | ||||
| 430 | V | 34.9 | Very low | 39.5 | Very low | 131 Ų | 131 | 142.5 Ų | 142.5 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | trans | 11.6 | 141.8 | 134.5 | -179.2 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 431 | P | 42.8 | Very low | 39.3 | Very low | 118 Ų | 118 | 144.9 Ų | 144.9 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | cis | -133.5 | -177.9 | 16.2 | 29.8 | -6.3 | 0 | 0 | 0 | 117.9 | ||||
| 432 | V | 41.6 | Very low | 40.2 | Very low | 130 Ų | 130 | 145.3 Ų | 145.3 | 79% | 0.788 | 79% | 0.786 | S | S | * | * | trans | -47.9 | 146.8 | 160.3 | 177.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 433 | C | 27.5 | Very low | 40.1 | Very low | 130 Ų | 130 | 142.2 Ų | 142.2 | 88% | 0.878 | 77% | 0.774 | S | S | * | * | trans | -131.8 | 159.4 | 141 | -162.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 434 | N | 32.8 | Very low | 40.6 | Very low | 137 Ų | 137 | 141.8 Ų | 141.8 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | trans | -105.8 | 148.6 | -172 | -161.5 | 45.8 | 0 | 0 | 0 | 111.9 | ||||
| 435 | D | 41.2 | Very low | 41.8 | Very low | 137 Ų | 137 | 147.8 Ų | 147.8 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | trans | 57.7 | 175.9 | 151.8 | -133.9 | 166.6 | 0 | 0 | 0 | 121.7 | ||||
| 436 | E | 41.7 | Very low | 42.4 | Very low | 154 Ų | 154 | 150.2 Ų | 150.2 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | trans | 70.4 | 104.1 | 161.6 | -68.4 | -172.3 | 118.7 | 0 | 0 | 120.6 | ||||
| 437 | E | 40 | Very low | 43.6 | Very low | 185 Ų | 185 | 149.6 Ų | 149.6 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | trans | 80.1 | 151.8 | 131.5 | -57.3 | -154 | 133.8 | 0 | 0 | 122.9 | ||||
| 438 | D | 55.7 | Low | 44.7 | Very low | 163 Ų | 163 | 145.5 Ų | 145.5 | 87% | 0.872 | 77% | 0.774 | S | S | * | * | trans | -86.2 | 105 | -174.4 | 175.3 | 30.4 | 0 | 0 | 0 | 111.8 | ||||
| 439 | A | 43.3 | Very low | 45.8 | Very low | 98 Ų | 98 | 144.4 Ų | 144.4 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | trans | -142.4 | 70.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 440 | G | 44.5 | Very low | 46.7 | Very low | 53 Ų | 53 | 142.5 Ų | 142.5 | 55% | 0.546 | 77% | 0.77 | S | S | . | * | trans | 57 | 85.3 | 144.2 | 0 | 0 | 0 | 0 | 0 | 119 | T442 | G440-T442 PolarHBondContact O-N 3.22Š| ||
| 441 | F | 40.3 | Very low | 47.9 | Very low | 200 Ų | 200 | 143.2 Ų | 143.2 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | trans | -65.5 | 100.2 | 161.6 | -178.5 | 71.6 | 0 | 0 | 0 | 111.1 | G443 | F441-G443 PolarHBondContact O-N 3.35Š| ||
| 442 | T | 53.5 | Low | 48.7 | Very low | 140 Ų | 140 | 142.4 Ų | 142.4 | 86% | 0.859 | 77% | 0.767 | S | S | * | * | trans | -74.5 | 28.3 | -176.3 | 48.6 | 0 | 0 | 0 | 0 | 114.7 | G440 K444 | G440-T442 PolarHBondContact O-N 3.22Å; T442-K444 VanDerWaalsContact C-N 3.27Å; T442-K444 PolarHBondContact O-N 2.73Å | ||
| 443 | G | 46.9 | Very low | 49.8 | Very low | 42 Ų | 42 | 144.5 Ų | 144.5 | 43% | 0.433 | 76% | 0.762 | S | S | . | * | trans | -80.7 | 48.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | F441 R445 | F441-G443 PolarHBondContact O-N 3.35Å; G443-R445 VanDerWaalsContact C-N 3.28Å; G443-R445 PolarHBondContact O-N 3.06Å | ||
| 444 | K | 52.3 | Low | 51.5 | Low | 178 Ų | 178 | 144.1 Ų | 144.1 | 77% | 0.774 | 76% | 0.761 | S | S | * | * | trans | -75.8 | 63.2 | -168.2 | -150.3 | 170.2 | -165.1 | 170.6 | 0 | 114.6 | T442 F446 | T442-K444 VanDerWaalsContact C-N 3.27Å; T442-K444 PolarHBondContact O-N 2.73Å; K444-F446 HydrophobicContact CD-CE2 4.17Å; K444-F446 HydrophobicContact CG-CD2 4.2Å; K444-F446 HydrophobicContact CG-CE2 4.08Å; K444-F446 PolarHBondContact O-N 3.25Å | ||
| 445 | R | 57.1 | Low | 52.3 | Low | 235 Ų | 235 | 139.2 Ų | 139.2 | 89% | 0.887 | 74% | 0.744 | S | S | * | * | trans | -80.6 | 90.8 | 166.2 | -70.1 | -171.8 | -175 | -94.5 | -0.3 | 110.4 | G443 | G443-R445 VanDerWaalsContact C-N 3.28Å; G443-R445 PolarHBondContact O-N 3.06Å | ||
| 446 | F | 55.4 | Low | 52.8 | Low | 156 Ų | 156 | 138.2 Ų | 138.2 | 68% | 0.684 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.8 | 152.9 | 165.5 | -89.8 | -90.7 | 0 | 0 | 0 | 111.3 | K444 | K444-F446 HydrophobicContact CD-CE2 4.17Å; K444-F446 HydrophobicContact CG-CD2 4.2Å; K444-F446 HydrophobicContact CG-CE2 4.08Å; K444-F446 PolarHBondContact O-N 3.25Å |
| 447 | N | 57.9 | Low | 53.4 | Low | 158 Ų | 158 | 138.7 Ų | 138.7 | 85% | 0.845 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 84.4 | -0 | 166.3 | -48.4 | -23.6 | 0 | 0 | 0 | 119.4 | K449 | N447-K449 PolarHBondContact O-N 3.49Š|
| 448 | S | 54.6 | Low | 54.1 | Low | 109 Ų | 109 | 134.7 Ų | 134.7 | 76% | 0.762 | 74% | 0.735 | S | S | * | * | trans | -87 | 97.8 | 166.4 | -163.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 449 | K | 62 | Low | 53.9 | Low | 191 Ų | 191 | 131.6 Ų | 131.6 | 83% | 0.83 | 73% | 0.726 | S | S | * | * | trans | -82.1 | 135.3 | -177.8 | -173.2 | 173.5 | -179.7 | 176.4 | 0 | 110.6 | N447 | N447-K449 PolarHBondContact O-N 3.49Š| ||
| 450 | M | 54.4 | Low | 54.3 | Low | 147 Ų | 147 | 135.5 Ų | 135.5 | 72% | 0.724 | 72% | 0.721 | S | S | * | * | trans | 68.2 | 89.4 | -177.7 | -65.5 | 166.8 | 54.4 | 0 | 0 | 115.6 | V452 | M450-V452 VanDerWaalsContact C-N 3.3Å; M450-V452 HydrophobicContact CB-CG2 4.04Å; M450-V452 HydrophobicContact CE-CG2 3.69Å; M450-V452 PolarHBondContact O-N 3.08Å | ||
| 451 | V | 60.3 | Low | 55.1 | Low | 147 Ų | 147 | 137.6 Ų | 137.6 | 89% | 0.891 | 72% | 0.719 | S | S | * | * | trans | -68.5 | 93.6 | 148.4 | 178.7 | 0 | 0 | 0 | 0 | 107.3 | Y453 | V451-Y453 PolarHBondContact O-N 2.94Š| ||
| 452 | V | 60.7 | Low | 56.4 | Low | 100 Ų | 100 | 134.9 Ų | 134.9 | 61% | 0.606 | 72% | 0.722 | S | S | * | * | trans | -78.3 | 113.7 | 170.6 | -176.7 | 0 | 0 | 0 | 0 | 107.7 | M450 S454 | M450-V452 VanDerWaalsContact C-N 3.3Å; M450-V452 HydrophobicContact CB-CG2 4.04Å; M450-V452 HydrophobicContact CE-CG2 3.69Å; M450-V452 PolarHBondContact O-N 3.08Å; V452-S454 PolarHBondContact O-N 3.08Å | ||
| 453 | Y | 64.3 | Low | 57.7 | Low | 174 Ų | 174 | 137.4 Ų | 137.4 | 68% | 0.682 | 72% | 0.716 | S | S | * | * | trans | -65.4 | 96.9 | 174.7 | -176.2 | -93.4 | 0 | 0 | 0 | 109.5 | V451 G455 K457 | V451-Y453 PolarHBondContact O-N 2.94Å; Y453-G455 VanDerWaalsContact CD1-O 3.23Å; Y453-G455 WeakPolarHBondContact CD1-O 3.19Å; Y453-G455 WeakPolarHBondContact CE1-O 3.45Å; Y453-G455 PolarHBondContact O-N 3.45Å; Y453-K457 HydrophobicContact CE1-CG 4.11Å | ||
| 454 | S | 63 | Low | 59.4 | Low | 122 Ų | 122 | 141.9 Ų | 141.9 | 85% | 0.853 | 73% | 0.727 | S | S | * | * | trans | -82.2 | 10 | -179.7 | 66.5 | 0 | 0 | 0 | 0 | 113.6 | V452 | V452-S454 PolarHBondContact O-N 3.08Š| ||
| 455 | G | 48.6 | Very low | 60.9 | Low | 35 Ų | 35 | 135.4 Ų | 135.4 | 36% | 0.361 | 70% | 0.7 | S | S | . | * | S | Bend | trans | -75.2 | 123.8 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | Y453 K457 | Y453-G455 VanDerWaalsContact CD1-O 3.23Å; Y453-G455 WeakPolarHBondContact CD1-O 3.19Å; Y453-G455 WeakPolarHBondContact CE1-O 3.45Å; Y453-G455 PolarHBondContact O-N 3.45Å; G455-K457 PolarHBondContact O-N 2.81Å |
| 456 | S | 52.3 | Low | 62.6 | Low | 116 Ų | 116 | 126.7 Ų | 126.7 | 81% | 0.811 | 67% | 0.673 | S | S | * | * | trans | -54.6 | 111.7 | 152.8 | -67.3 | 0 | 0 | 0 | 0 | 106.8 | T458 | S456-T458 PolarHBondContact O-N 3.11Š| ||
| 457 | K | 55.5 | Low | 64.4 | Low | 164 Ų | 164 | 125.9 Ų | 125.9 | 71% | 0.713 | 68% | 0.675 | S | S | * | * | trans | -55.7 | 110.7 | 162.7 | -67.9 | -176.6 | 179.7 | -176.8 | 0 | 105.1 | Y453 G455 S459 | Y453-K457 HydrophobicContact CE1-CG 4.11Å; G455-K457 PolarHBondContact O-N 2.81Å; K457-S459 PolarHBondContact O-N 2.79Å | ||
| 458 | T | 52.7 | Low | 66 | Low | 100 Ų | 100 | 124 Ų | 124 | 61% | 0.613 | 66% | 0.657 | S | S | * | * | trans | -56.5 | 117.1 | 170.4 | 36 | 0 | 0 | 0 | 0 | 105.5 | S456 Y460 | S456-T458 PolarHBondContact O-N 3.11Å; T458-Y460 WeakPolarHBondContact O-CD1 3.49Å; T458-Y460 VanDerWaalsContact O-CE1 3.26Å; T458-Y460 WeakPolarHBondContact O-CE1 3.28Å; T458-Y460 PolarHBondContact O-N 2.86Å; T458-Y460 VanDerWaalsContact OG1-CE1 3.28Å; T458-Y460 WeakPolarHBondContact OG1-CE1 3.35Å | ||
| 459 | S | 51.9 | Low | 67.8 | Low | 99 Ų | 99 | 122.3 Ų | 122.3 | 69% | 0.692 | 64% | 0.637 | S | S | * | * | trans | -77.5 | 73.3 | -176.3 | 57 | 0 | 0 | 0 | 0 | 108.3 | K457 L461 | K457-S459 PolarHBondContact O-N 2.79Å; S459-L461 PolarHBondContact O-N 2.77Å | ||
| 460 | Y | 52.3 | Low | 69.2 | Low | 180 Ų | 180 | 117.8 Ų | 117.8 | 71% | 0.706 | 62% | 0.619 | S | S | * | * | trans | -60.8 | 83.8 | 158.4 | 27.4 | -102.3 | 0 | 0 | 0 | 107.2 | T458 P462 | T458-Y460 WeakPolarHBondContact O-CD1 3.49Å; T458-Y460 VanDerWaalsContact O-CE1 3.26Å; T458-Y460 WeakPolarHBondContact O-CE1 3.28Å; T458-Y460 PolarHBondContact O-N 2.86Å; T458-Y460 VanDerWaalsContact OG1-CE1 3.28Å; T458-Y460 WeakPolarHBondContact OG1-CE1 3.35Å; Y460-P462 WeakPolarHBondContact O-CD 3.39Å; Y460-P462 VanDerWaalsContact O-N 3.17Å | ||
| 461 | L | 60.2 | Low | 71 | Confident | 96 Ų | 96 | 113.8 Ų | 113.8 | 50% | 0.503 | 61% | 0.605 | S | S | . | * | trans | -51.9 | 119.9 | 165.4 | -68.5 | 170.5 | 0 | 0 | 0 | 105.8 | S459 R463 M464 | S459-L461 PolarHBondContact O-N 2.77Å; L461-R463 WeakPolarHBondContact CB-O 3.39Å; L461-R463 CarbonylContact O-C 3.52Å; L461-R463 PolarHBondContact O-N 3.26Å; L461-M464 HydrophobicContact CB-CE 4.05Å | ||
| 462 | P | 69.5 | Low | 72.5 | Confident | 144 Ų | 144 | 107.4 Ų | 107.4 | 94% | 0.935 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -57.8 | -15.4 | -172.8 | -28.7 | 36.5 | 0 | 0 | 0 | 114.3 | Y460 | Y460-P462 WeakPolarHBondContact O-CD 3.39Å; Y460-P462 VanDerWaalsContact O-N 3.17Å |
| 463 | R | 80.6 | Confident | 74 | Confident | 192 Ų | 192 | 108.8 Ų | 108.8 | 73% | 0.725 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -138.2 | 131.8 | 166.7 | 176.3 | 169.6 | 173.9 | 157.4 | -4 | 107.1 | L461 M465 | L461-R463 WeakPolarHBondContact CB-O 3.39Å; L461-R463 CarbonylContact O-C 3.52Å; L461-R463 PolarHBondContact O-N 3.26Å; R463-M465 PolarHBondContact O-N 2.99Å |
| 464 | M | 81.1 | Confident | 75.3 | Confident | 137 Ų | 137 | 104.2 Ų | 104.2 | 68% | 0.675 | 55% | 0.55 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 132.9 | 166.7 | -74.2 | -63.2 | 112.5 | 0 | 0 | 108.7 | L461 | L461-M464 HydrophobicContact CB-CE 4.05Š|
| 465 | M | 84.4 | Confident | 76.6 | Confident | 41 Ų | 41 | 101.4 Ų | 101.4 | 20% | 0.202 | 53% | 0.525 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 141 | -178.5 | -170.1 | 153.4 | 64.3 | 0 | 0 | 110.3 | R463 E469 Q470 R473 | R463-M465 PolarHBondContact O-N 2.99Å; M465-E469 HydrophobicContact CG-CB 3.37Å; M465-E469 HydrophobicContact CG-CG 4.24Å; M465-E469 HydrophobicContact SD-CB 3.94Å; M465-Q470 HydrophobicContact CE-CB 4.38Å; M465-R473 PolarHBondContact SD-NE 3.46Å; M465-R473 VanDerWaalsContact SD-NE 3.41Å; M465-R473 PolarHBondContact SD-NH2 2.99Å; M465-R473 VanDerWaalsContact SD-NH2 3.41Å |
| 466 | T | 93.6 | Very high | 78.6 | Confident | 52 Ų | 52 | 101.4 Ų | 101.4 | 32% | 0.319 | 52% | 0.515 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 155.2 | 179.7 | 63.1 | 0 | 0 | 0 | 0 | 111.2 | Y468 E469 Q470 | T466-Y468 PolarHBondContact O-N 2.87Å; T466-E469 VanDerWaalsContact CB-OE1 3.27Å; T466-E469 WeakPolarHBondContact CB-OE1 3.37Å; T466-E469 VanDerWaalsContact CG2-OE1 3.24Å; T466-E469 WeakPolarHBondContact CG2-OE1 3.13Å; T466-E469 PolarHBondContact N-OE1 2.93Å; T466-E469 PolarHBondContact O-N 3.46Å; T466-E469 VanDerWaalsContact OG1-CG 3.31Å; T466-E469 WeakPolarHBondContact OG1-CG 3.34Å; T466-E469 PolarHBondContact OG1-N 2.94Å; T466-E469 PolarHBondContact OG1-OE1 3.39Å; T466-Q470 WeakPolarHBondContact O-CB 3.3Å; T466-Q470 PolarHBondContact O-N 3.09Å |
| 467 | L | 93.2 | Very high | 80.4 | Confident | 139 Ų | 139 | 102.1 Ų | 102.1 | 73% | 0.728 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -56.2 | -37 | 174.6 | -179.5 | 61.3 | 0 | 0 | 0 | 111.5 | Q470 C471 | L467-Q470 PolarHBondContact O-N 3.32Å; L467-C471 WeakPolarHBondContact O-CB 3.19Å; L467-C471 PolarHBondContact O-N 2.85Å; L467-C471 PolarHBondContact O-SG 3.27Å |
| 468 | Y | 91.4 | Very high | 82 | Confident | 119 Ų | 119 | 98.4 Ų | 98.4 | 47% | 0.467 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.9 | -57.8 | 173.5 | 173.5 | -105.6 | 0 | 0 | 0 | 111.9 | T466 Q470 C471 I472 I492 | T466-Y468 PolarHBondContact O-N 2.87Å; Y468-Q470 PolarHBondContact O-N 3.19Å; Y468-C471 PolarHBondContact O-N 3.31Å; Y468-C471 VanDerWaalsContact O-N 3.16Å; Y468-I472 HydrophobicContact CD1-CG1 4.44Å; Y468-I472 HydrophobicContact CD2-CG1 4.03Å; Y468-I472 HydrophobicContact CE1-CG1 4.11Å; Y468-I472 HydrophobicContact CE2-CD1 3.82Å; Y468-I472 HydrophobicContact CE2-CG1 3.66Å; Y468-I472 HydrophobicContact CG-CG1 4.4Å; Y468-I472 WeakPolarHBondContact O-CB 3.18Å; Y468-I472 VanDerWaalsContact O-CG1 3.3Å; Y468-I472 WeakPolarHBondContact O-CG1 3.46Å; Y468-I472 PolarHBondContact O-N 3.34Å; Y468-I492 HydrophobicContact CE2-CG2 4.33Å |
| 469 | E | 92.1 | Very high | 83.7 | Confident | 74 Ų | 74 | 94.3 Ų | 94.3 | 35% | 0.346 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -57.6 | -36.9 | 177.6 | -71.2 | 162.6 | -92.3 | 0 | 0 | 112.6 | M465 T466 R473 | M465-E469 HydrophobicContact CG-CB 3.37Å; M465-E469 HydrophobicContact CG-CG 4.24Å; M465-E469 HydrophobicContact SD-CB 3.94Å; T466-E469 VanDerWaalsContact CB-OE1 3.27Å; T466-E469 WeakPolarHBondContact CB-OE1 3.37Å; T466-E469 VanDerWaalsContact CG2-OE1 3.24Å; T466-E469 WeakPolarHBondContact CG2-OE1 3.13Å; T466-E469 PolarHBondContact N-OE1 2.93Å; T466-E469 PolarHBondContact O-N 3.46Å; T466-E469 VanDerWaalsContact OG1-CG 3.31Å; T466-E469 WeakPolarHBondContact OG1-CG 3.34Å; T466-E469 PolarHBondContact OG1-N 2.94Å; T466-E469 PolarHBondContact OG1-OE1 3.39Å; E469-R473 WeakPolarHBondContact O-CG 3.4Å; E469-R473 PolarHBondContact O-N 3.09Å |
| 470 | Q | 91.8 | Very high | 85.4 | Confident | 96 Ų | 96 | 94.4 Ų | 94.4 | 45% | 0.449 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66.8 | -45.3 | 177.5 | -170.2 | 67.8 | 60.3 | 0 | 0 | 111.5 | M465 T466 L467 Y468 R473 V474 | M465-Q470 HydrophobicContact CE-CB 4.38Å; T466-Q470 WeakPolarHBondContact O-CB 3.3Å; T466-Q470 PolarHBondContact O-N 3.09Å; L467-Q470 PolarHBondContact O-N 3.32Å; Y468-Q470 PolarHBondContact O-N 3.19Å; Q470-R473 PolarHBondContact O-N 3.03Å; Q470-V474 WeakPolarHBondContact O-CG2 3.47Å; Q470-V474 PolarHBondContact O-N 3.43Å; Q470-V474 VanDerWaalsContact O-N 3.11Å |
| 471 | C | 90.9 | Very high | 87 | Confident | 62 Ų | 62 | 90.7 Ų | 90.7 | 42% | 0.419 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.7 | -45.7 | 175.5 | -71.9 | 0 | 0 | 0 | 0 | 111.9 | L467 Y468 R473 V474 L475 | L467-C471 WeakPolarHBondContact O-CB 3.19Å; L467-C471 PolarHBondContact O-N 2.85Å; L467-C471 PolarHBondContact O-SG 3.27Å; Y468-C471 PolarHBondContact O-N 3.31Å; Y468-C471 VanDerWaalsContact O-N 3.16Å; C471-R473 VanDerWaalsContact C-N 3.29Å; C471-R473 PolarHBondContact O-N 3.28Å; C471-V474 PolarHBondContact O-N 3.27Å; C471-L475 WeakPolarHBondContact O-CG 3.35Å; C471-L475 PolarHBondContact O-N 3.37Å |
| 472 | I | 92.8 | Very high | 88.1 | Confident | 13 Ų | 13 | 87.4 Ų | 87.4 | 7% | 0.067 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -57.1 | -42.3 | 176.5 | -68.4 | -68.7 | 0 | 0 | 0 | 110.9 | Y468 L475 Q476 I492 P495 V496 | Y468-I472 HydrophobicContact CD1-CG1 4.44Å; Y468-I472 HydrophobicContact CD2-CG1 4.03Å; Y468-I472 HydrophobicContact CE1-CG1 4.11Å; Y468-I472 HydrophobicContact CE2-CD1 3.82Å; Y468-I472 HydrophobicContact CE2-CG1 3.66Å; Y468-I472 HydrophobicContact CG-CG1 4.4Å; Y468-I472 WeakPolarHBondContact O-CB 3.18Å; Y468-I472 VanDerWaalsContact O-CG1 3.3Å; Y468-I472 WeakPolarHBondContact O-CG1 3.46Å; Y468-I472 PolarHBondContact O-N 3.34Å; I472-L475 PolarHBondContact O-N 3.31Å; I472-Q476 HydrophobicContact CG2-CG 4.31Å; I472-Q476 WeakPolarHBondContact O-CB 3.45Å; I472-Q476 WeakPolarHBondContact O-CG 3.45Å; I472-Q476 PolarHBondContact O-N 3.27Å; I472-I492 VanDerWaalsContact CD1-O 3.32Å; I472-I492 WeakPolarHBondContact CD1-O 3.38Å; I472-P495 HydrophobicContact CG2-CB 4.21Å; I472-V496 HydrophobicContact CD1-CG2 3.82Å; I472-V496 HydrophobicContact CG2-CG2 4.28Å |
| 473 | R | 91.6 | Very high | 88.6 | Confident | 130 Ų | 130 | 83.3 Ų | 83.3 | 49% | 0.491 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.5 | -34.9 | 174.3 | -74 | -178.5 | -170.3 | -166.5 | 8.7 | 113.6 | M465 E469 Q470 C471 N477 | M465-R473 PolarHBondContact SD-NE 3.46Å; M465-R473 VanDerWaalsContact SD-NE 3.41Å; M465-R473 PolarHBondContact SD-NH2 2.99Å; M465-R473 VanDerWaalsContact SD-NH2 3.41Å; E469-R473 WeakPolarHBondContact O-CG 3.4Å; E469-R473 PolarHBondContact O-N 3.09Å; Q470-R473 PolarHBondContact O-N 3.03Å; C471-R473 VanDerWaalsContact C-N 3.29Å; C471-R473 PolarHBondContact O-N 3.28Å; R473-N477 WeakPolarHBondContact O-CB 3.4Å; R473-N477 PolarHBondContact O-N 3.24Å; R473-N477 VanDerWaalsContact O-N 3.13Å; R473-N477 PolarHBondContact O-ND2 2.84Å |
| 474 | V | 92.2 | Very high | 88.7 | Confident | 77 Ų | 77 | 81.7 Ų | 81.7 | 47% | 0.467 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.6 | -42 | 174.6 | 170.6 | 0 | 0 | 0 | 0 | 110.5 | Q470 C471 N477 N478 | Q470-V474 WeakPolarHBondContact O-CG2 3.47Å; Q470-V474 PolarHBondContact O-N 3.43Å; Q470-V474 VanDerWaalsContact O-N 3.11Å; C471-V474 PolarHBondContact O-N 3.27Å; V474-N477 PolarHBondContact O-N 2.75Å; V474-N478 PolarHBondContact O-N 2.89Å; V474-N478 PolarHBondContact O-ND2 3.08Å |
| 475 | L | 90.3 | Very high | 88.6 | Confident | 64 Ų | 64 | 76.2 Ų | 76.2 | 34% | 0.335 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.2 | -48.3 | 175.1 | -66.6 | 170.2 | 0 | 0 | 0 | 111.7 | C471 I472 N477 N478 I479 I482 V496 | C471-L475 WeakPolarHBondContact O-CG 3.35Å; C471-L475 PolarHBondContact O-N 3.37Å; I472-L475 PolarHBondContact O-N 3.31Å; L475-N477 PolarHBondContact O-N 3.09Å; L475-N477 VanDerWaalsContact O-N 3.15Å; L475-N478 CarbonylContact O-C 3.57Å; L475-N478 PolarHBondContact O-N 3.32Å; L475-I479 WeakPolarHBondContact O-CG1 3.35Å; L475-I479 PolarHBondContact O-N 3.14Å; L475-I482 HydrophobicContact CB-CD1 4.11Å; L475-I482 HydrophobicContact CD2-CD1 3.93Å; L475-I482 HydrophobicContact CD2-CG1 4.37Å; L475-V496 HydrophobicContact CB-CG1 3.96Å; L475-V496 HydrophobicContact CB-CG2 3.77Å; L475-V496 HydrophobicContact CD1-CG2 4.14Å |
| 476 | Q | 90.4 | Very high | 88 | Confident | 35 Ų | 35 | 77.3 Ų | 77.3 | 16% | 0.164 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -57.9 | -26.7 | 175.4 | -73.6 | 171.6 | 1.2 | 0 | 0 | 113.8 | I472 I479 P495 V496 R499 | I472-Q476 HydrophobicContact CG2-CG 4.31Å; I472-Q476 WeakPolarHBondContact O-CB 3.45Å; I472-Q476 WeakPolarHBondContact O-CG 3.45Å; I472-Q476 PolarHBondContact O-N 3.27Å; Q476-I479 WeakPolarHBondContact O-CD1 3.27Å; Q476-P495 PolarHBondContact NE2-O 2.99Å; Q476-V496 HydrophobicContact CG-CB 4.46Å; Q476-V496 HydrophobicContact CG-CG1 4.34Å; Q476-V496 HydrophobicContact CG-CG2 4.36Å; Q476-R499 VanDerWaalsContact NE2-CD 3.27Å |
| 477 | N | 90.6 | Very high | 87.1 | Confident | 131 Ų | 131 | 78.1 Ų | 78.1 | 70% | 0.701 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -87.2 | -13.3 | 176.5 | -71.6 | -21.4 | 0 | 0 | 0 | 113.6 | R473 V474 L475 | R473-N477 WeakPolarHBondContact O-CB 3.4Å; R473-N477 PolarHBondContact O-N 3.24Å; R473-N477 VanDerWaalsContact O-N 3.13Å; R473-N477 PolarHBondContact O-ND2 2.84Å; V474-N477 PolarHBondContact O-N 2.75Å; L475-N477 PolarHBondContact O-N 3.09Å; L475-N477 VanDerWaalsContact O-N 3.15Å |
| 478 | N | 88.9 | Confident | 86.7 | Confident | 85 Ų | 85 | 74 Ų | 74 | 46% | 0.455 | 42% | 0.422 | S | S | . | . | trans | -131.2 | 33.5 | -173.3 | -62.8 | -88 | 0 | 0 | 0 | 111.8 | V474 L475 D480 S481 | V474-N478 PolarHBondContact O-N 2.89Å; V474-N478 PolarHBondContact O-ND2 3.08Å; L475-N478 CarbonylContact O-C 3.57Å; L475-N478 PolarHBondContact O-N 3.32Å; N478-D480 VanDerWaalsContact C-N 3.28Å; N478-D480 PolarHBondContact O-N 3.41Å; N478-S481 WeakPolarHBondContact O-CB 3.46Å; N478-S481 PolarHBondContact O-N 3.17Å | ||
| 479 | I | 88.3 | Confident | 86.3 | Confident | 14 Ų | 14 | 71.8 Ų | 71.8 | 7% | 0.072 | 42% | 0.422 | C | S | . | . | G | 310 helix | trans | -53.2 | -42.4 | -174.8 | -64.5 | 173.3 | 0 | 0 | 0 | 112 | L475 Q476 S481 I482 V496 C500 Q504 I508 | L475-I479 WeakPolarHBondContact O-CG1 3.35Å; L475-I479 PolarHBondContact O-N 3.14Å; Q476-I479 WeakPolarHBondContact O-CD1 3.27Å; I479-S481 PolarHBondContact O-N 3.03Å; I479-S481 VanDerWaalsContact O-N 3.08Å; I479-I482 WeakPolarHBondContact O-CB 3.35Å; I479-I482 PolarHBondContact O-N 2.94Å; I479-V496 HydrophobicContact CG1-CG1 4.23Å; I479-C500 HydrophobicContact CG2-CB 4.42Å; I479-C500 WeakPolarHBondContact CG2-SG 3.21Å; I479-Q504 HydrophobicContact CG2-CB 3.94Å; I479-Q504 HydrophobicContact CG2-CG 4.01Å; I479-I508 HydrophobicContact CG2-CD1 4.21Å |
| 480 | D | 86.9 | Confident | 86 | Confident | 101 Ų | 101 | 69.6 Ų | 69.6 | 54% | 0.54 | 41% | 0.412 | S | S | . | . | G | 310 helix | trans | -66.7 | -7.8 | 178.5 | -66.8 | -70.2 | 0 | 0 | 0 | 115.1 | N478 Q504 R507 | N478-D480 VanDerWaalsContact C-N 3.28Å; N478-D480 PolarHBondContact O-N 3.41Å; D480-Q504 VanDerWaalsContact CG-NE2 3.3Å; D480-Q504 PolarHBondContact OD1-NE2 3.16Å; D480-Q504 PolarHBondContact OD2-NE2 3.37Å; D480-R507 IonicContact OD1-CZ 2.66Å; D480-R507 IonicContact OD1-NH1 2.66Å; D480-R507 PolarHBondContact OD1-NH1 2.95Å; D480-R507 IonicContact OD1-NH2 2.69Å; D480-R507 PolarHBondContact OD1-NH2 2.75Å |
| 481 | S | 87.1 | Confident | 85.8 | Confident | 103 Ų | 103 | 72.6 Ų | 72.6 | 72% | 0.72 | 43% | 0.426 | S | S | * | . | G | 310 helix | trans | -94.7 | -5.8 | 170.5 | -56 | 0 | 0 | 0 | 0 | 113.2 | N478 I479 A483 | N478-S481 WeakPolarHBondContact O-CB 3.46Å; N478-S481 PolarHBondContact O-N 3.17Å; I479-S481 PolarHBondContact O-N 3.03Å; I479-S481 VanDerWaalsContact O-N 3.08Å; S481-A483 PolarHBondContact O-N 3.34Å |
| 482 | I | 83.3 | Confident | 85.7 | Confident | 26 Ų | 26 | 73.5 Ų | 73.5 | 13% | 0.133 | 43% | 0.426 | C | S | . | . | trans | -87.4 | 107.8 | 175.3 | -53.5 | 177 | 0 | 0 | 0 | 107.5 | L475 I479 V485 V496 I508 | L475-I482 HydrophobicContact CB-CD1 4.11Å; L475-I482 HydrophobicContact CD2-CD1 3.93Å; L475-I482 HydrophobicContact CD2-CG1 4.37Å; I479-I482 WeakPolarHBondContact O-CB 3.35Å; I479-I482 PolarHBondContact O-N 2.94Å; I482-V485 HydrophobicContact CG2-CG2 3.77Å; I482-V496 HydrophobicContact CD1-CG1 3.97Å; I482-I508 HydrophobicContact CB-CD1 4.42Å; I482-I508 HydrophobicContact CG2-CD1 4.42Å; I482-I508 WeakPolarHBondContact O-CG1 3.44Å | ||
| 483 | A | 79 | Confident | 85.5 | Confident | 59 Ų | 59 | 73.2 Ų | 73.2 | 49% | 0.488 | 42% | 0.424 | S | S | . | . | trans | -108.1 | -95.5 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | S481 S511 N512 | S481-A483 PolarHBondContact O-N 3.34Å; A483-S511 PolarHBondContact O-OG 3.3Å; A483-N512 PolarHBondContact O-ND2 3.27Å | ||
| 484 | E | 83.1 | Confident | 85.4 | Confident | 158 Ų | 158 | 70 Ų | 70 | 74% | 0.738 | 41% | 0.414 | S | S | * | . | trans | -73.4 | 127.5 | 175.3 | -169 | 178.8 | 172.2 | 0 | 0 | 111.7 | ||||
| 485 | V | 78.3 | Confident | 85.3 | Confident | 22 Ų | 22 | 68.2 Ų | 68.2 | 13% | 0.133 | 41% | 0.405 | C | S | . | . | trans | -102.5 | 9.1 | 179.5 | -152.3 | 0 | 0 | 0 | 0 | 112.2 | I482 G487 V488 L493 I508 N512 F515 | I482-V485 HydrophobicContact CG2-CG2 3.77Å; V485-G487 VanDerWaalsContact C-N 3.27Å; V485-G487 PolarHBondContact O-N 2.95Å; V485-V488 HydrophobicContact CG1-CB 3.96Å; V485-V488 HydrophobicContact CG1-CG2 4.21Å; V485-V488 WeakPolarHBondContact O-CG2 3.41Å; V485-V488 PolarHBondContact O-N 3.26Å; V485-V488 VanDerWaalsContact O-N 3.16Å; V485-L493 HydrophobicContact CB-CD2 4.4Å; V485-L493 HydrophobicContact CG1-CD1 4.01Å; V485-L493 HydrophobicContact CG1-CD2 3.93Å; V485-L493 HydrophobicContact CG2-CD2 3.88Å; V485-I508 HydrophobicContact CG2-CG2 4.36Å; V485-N512 PolarHBondContact N-OD1 3.4Å; V485-F515 HydrophobicContact CB-CE2 4.09Å; V485-F515 HydrophobicContact CB-CZ 4.26Å; V485-F515 HydrophobicContact CG2-CE2 3.87Å | ||
| 486 | G | 71.8 | Confident | 85.2 | Confident | 64 Ų | 64 | 65.2 Ų | 65.2 | 66% | 0.66 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.5 | 24 | 160.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 487 | G | 74.7 | Confident | 85.1 | Confident | 68 Ų | 68 | 63.7 Ų | 63.7 | 70% | 0.701 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.3 | 18.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | V485 | V485-G487 VanDerWaalsContact C-N 3.27Å; V485-G487 PolarHBondContact O-N 2.95Å |
| 488 | V | 84.6 | Confident | 85.1 | Confident | 54 Ų | 54 | 62.4 Ų | 62.4 | 33% | 0.327 | 37% | 0.372 | S | S | . | . | trans | -63.3 | 131.9 | 165 | 173 | 0 | 0 | 0 | 0 | 109.8 | V485 I492 F515 | V485-V488 HydrophobicContact CG1-CB 3.96Å; V485-V488 HydrophobicContact CG1-CG2 4.21Å; V485-V488 WeakPolarHBondContact O-CG2 3.41Å; V485-V488 PolarHBondContact O-N 3.26Å; V485-V488 VanDerWaalsContact O-N 3.16Å; V488-I492 HydrophobicContact CG1-CB 3.94Å; V488-I492 HydrophobicContact CG1-CG2 4Å; V488-F515 WeakPolarHBondContact O-CE1 3.29Å; V488-F515 WeakPolarHBondContact O-CZ 3.37Å | ||
| 489 | P | 84.4 | Confident | 85 | Confident | 71 Ų | 71 | 66 Ų | 66 | 46% | 0.461 | 38% | 0.379 | S | S | . | . | trans | -60.1 | 146.3 | 175.2 | -25.5 | 34.6 | 0 | 0 | 0 | 113.7 | E491 I492 | P489-E491 VanDerWaalsContact C-N 3.32Å; P489-E491 PolarHBondContact O-N 3.4Å; P489-I492 HydrophobicContact CG-CD1 4.5Å; P489-I492 PolarHBondContact O-N 3.37Å; P489-I492 VanDerWaalsContact O-N 3.14Å | ||
| 490 | F | 85.4 | Confident | 85 | Confident | 28 Ų | 28 | 65.5 Ų | 65.5 | 12% | 0.123 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -54.9 | -43.9 | -178.9 | -179.2 | -93.7 | 0 | 0 | 0 | 112.8 | I492 L493 E494 L497 F515 D518 L522 | F490-I492 PolarHBondContact O-N 2.7Å; F490-L493 CarbonylContact O-C 3.59Å; F490-L493 WeakPolarHBondContact O-CA 3.04Å; F490-L493 PolarHBondContact O-N 3.19Å; F490-E494 HydrophobicContact CD1-CB 4.27Å; F490-E494 HydrophobicContact CE1-CB 3.91Å; F490-E494 HydrophobicContact CE1-CG 3.71Å; F490-E494 HydrophobicContact CZ-CB 4.39Å; F490-E494 HydrophobicContact CZ-CG 4.05Å; F490-E494 PolarHBondContact O-N 3.08Å; F490-L497 HydrophobicContact CD2-CD1 3.9Å; F490-L497 HydrophobicContact CE2-CD1 3.55Å; F490-L497 HydrophobicContact CZ-CD1 4.43Å; F490-F515 HydrophobicContact CB-CD1 3.99Å; F490-F515 HydrophobicContact CB-CE1 4.25Å; F490-F515 HydrophobicContact CD2-CB 4.14Å; F490-F515 AromaticContact CD2-CD1 3.93Å; F490-F515 HydrophobicContact CD2-CD1 3.93Å; F490-F515 HydrophobicContact CD2-CG 4.2Å; F490-F515 HydrophobicContact CG-CD1 4.47Å; F490-D518 HydrophobicContact CB-CB 4.08Å; F490-D518 VanDerWaalsContact CB-OD2 3.28Å; F490-D518 WeakPolarHBondContact CB-OD2 3.29Å; F490-D518 HydrophobicContact CD1-CB 3.57Å; F490-D518 HydrophobicContact CD2-CB 3.52Å; F490-D518 HydrophobicContact CE1-CB 3.75Å; F490-D518 HydrophobicContact CE2-CB 3.69Å; F490-D518 HydrophobicContact CG-CB 3.45Å; F490-D518 VanDerWaalsContact CG-CB 3.45Å; F490-D518 HydrophobicContact CZ-CB 3.79Å; F490-D518 WeakPolarHBondContact CZ-O 3.35Å; F490-L522 HydrophobicContact CE2-CD1 4.09Å; F490-L522 HydrophobicContact CZ-CD1 3.93Å; F490-L522 HydrophobicContact CZ-CG 4.31Å |
| 491 | E | 87.9 | Confident | 85.1 | Confident | 160 Ų | 160 | 63.4 Ų | 63.4 | 75% | 0.748 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -46.9 | -36 | 177.1 | -58.3 | 170.7 | -176.8 | 0 | 0 | 114.2 | P489 | P489-E491 VanDerWaalsContact C-N 3.32Å; P489-E491 PolarHBondContact O-N 3.4Å |
| 492 | I | 87.8 | Confident | 85.2 | Confident | 81 Ų | 81 | 58.8 Ų | 58.8 | 42% | 0.415 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -81 | -28.7 | -177.7 | -61.2 | -177.2 | 0 | 0 | 0 | 110.8 | Y468 I472 V488 P489 F490 | Y468-I492 HydrophobicContact CE2-CG2 4.33Å; I472-I492 VanDerWaalsContact CD1-O 3.32Å; I472-I492 WeakPolarHBondContact CD1-O 3.38Å; V488-I492 HydrophobicContact CG1-CB 3.94Å; V488-I492 HydrophobicContact CG1-CG2 4Å; P489-I492 HydrophobicContact CG-CD1 4.5Å; P489-I492 PolarHBondContact O-N 3.37Å; P489-I492 VanDerWaalsContact O-N 3.14Å; F490-I492 PolarHBondContact O-N 2.7Å |
| 493 | L | 88.1 | Confident | 85.4 | Confident | 6 Ų | 6 | 61.8 Ų | 61.8 | 3% | 0.031 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -97.6 | -19.5 | -177 | -157.1 | 74.2 | 0 | 0 | 0 | 113.5 | V485 F490 P495 V496 L497 F515 | V485-L493 HydrophobicContact CB-CD2 4.4Å; V485-L493 HydrophobicContact CG1-CD1 4.01Å; V485-L493 HydrophobicContact CG1-CD2 3.93Å; V485-L493 HydrophobicContact CG2-CD2 3.88Å; F490-L493 CarbonylContact O-C 3.59Å; F490-L493 WeakPolarHBondContact O-CA 3.04Å; F490-L493 PolarHBondContact O-N 3.19Å; L493-P495 VanDerWaalsContact C-CD 3.42Å; L493-P495 VanDerWaalsContact C-N 3.31Å; L493-V496 HydrophobicContact CD1-CB 4.32Å; L493-V496 HydrophobicContact CD1-CG2 4.27Å; L493-V496 HydrophobicContact CG-CB 4.42Å; L493-V496 WeakPolarHBondContact O-CA 3.32Å; L493-V496 VanDerWaalsContact O-CB 3.29Å; L493-V496 WeakPolarHBondContact O-CB 3.21Å; L493-V496 PolarHBondContact O-N 3.46Å; L493-L497 HydrophobicContact CB-CG 4.47Å; L493-L497 HydrophobicContact CD2-CD1 4.05Å; L493-L497 HydrophobicContact CD2-CD2 3.84Å; L493-L497 HydrophobicContact CD2-CG 3.9Å; L493-L497 HydrophobicContact CG-CD1 4.41Å; L493-L497 HydrophobicContact CG-CD2 4.26Å; L493-L497 HydrophobicContact CG-CG 3.98Å; L493-L497 PolarHBondContact O-N 2.8Å; L493-F515 HydrophobicContact CD2-CE2 3.96Å; L493-F515 HydrophobicContact CD2-CZ 4.26Å |
| 494 | E | 89.7 | Confident | 85.9 | Confident | 62 Ų | 62 | 60.1 Ų | 60.1 | 29% | 0.29 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -48.2 | -44.3 | -179.8 | -164.4 | -149 | 159.4 | 0 | 0 | 112.9 | F490 V496 L497 E498 L522 R525 | F490-E494 HydrophobicContact CD1-CB 4.27Å; F490-E494 HydrophobicContact CE1-CB 3.91Å; F490-E494 HydrophobicContact CE1-CG 3.71Å; F490-E494 HydrophobicContact CZ-CB 4.39Å; F490-E494 HydrophobicContact CZ-CG 4.05Å; F490-E494 PolarHBondContact O-N 3.08Å; E494-V496 PolarHBondContact O-N 2.93Å; E494-V496 VanDerWaalsContact O-N 3.11Å; E494-L497 PolarHBondContact O-N 2.92Å; E494-L497 VanDerWaalsContact O-N 3.08Å; E494-E498 PolarHBondContact O-N 3.37Å; E494-L522 HydrophobicContact CG-CD2 4.27Å; E494-R525 IonicContact OE1-CZ 3.58Å; E494-R525 IonicContact OE1-NH1 3.31Å; E494-R525 PolarHBondContact OE1-NH1 3.05Å; E494-R525 VanDerWaalsContact OE1-NH1 3.09Å; E494-R525 IonicContact OE1-NH2 3.46Å; E494-R525 PolarHBondContact OE1-NH2 3.39Å |
| 495 | P | 89.9 | Confident | 86.2 | Confident | 41 Ų | 41 | 52.7 Ų | 52.7 | 27% | 0.266 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -67.1 | -15.1 | 178.7 | -20.9 | 35.4 | 0 | 0 | 0 | 113.9 | I472 Q476 L493 | I472-P495 HydrophobicContact CG2-CB 4.21Å; Q476-P495 PolarHBondContact NE2-O 2.99Å; L493-P495 VanDerWaalsContact C-CD 3.42Å; L493-P495 VanDerWaalsContact C-N 3.31Å |
| 496 | V | 90.1 | Very high | 86.7 | Confident | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.006 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -87 | -47.4 | 169.2 | -172.1 | 0 | 0 | 0 | 0 | 109.8 | I472 L475 Q476 I479 I482 L493 E494 E498 R499 C500 | I472-V496 HydrophobicContact CD1-CG2 3.82Å; I472-V496 HydrophobicContact CG2-CG2 4.28Å; L475-V496 HydrophobicContact CB-CG1 3.96Å; L475-V496 HydrophobicContact CB-CG2 3.77Å; L475-V496 HydrophobicContact CD1-CG2 4.14Å; Q476-V496 HydrophobicContact CG-CB 4.46Å; Q476-V496 HydrophobicContact CG-CG1 4.34Å; Q476-V496 HydrophobicContact CG-CG2 4.36Å; I479-V496 HydrophobicContact CG1-CG1 4.23Å; I482-V496 HydrophobicContact CD1-CG1 3.97Å; L493-V496 HydrophobicContact CD1-CB 4.32Å; L493-V496 HydrophobicContact CD1-CG2 4.27Å; L493-V496 HydrophobicContact CG-CB 4.42Å; L493-V496 WeakPolarHBondContact O-CA 3.32Å; L493-V496 VanDerWaalsContact O-CB 3.29Å; L493-V496 WeakPolarHBondContact O-CB 3.21Å; L493-V496 PolarHBondContact O-N 3.46Å; E494-V496 PolarHBondContact O-N 2.93Å; E494-V496 VanDerWaalsContact O-N 3.11Å; V496-E498 PolarHBondContact O-N 3.48Å; V496-R499 PolarHBondContact O-N 3.17Å; V496-R499 VanDerWaalsContact O-N 3.08Å; V496-C500 PolarHBondContact O-N 3.04Å |
| 497 | L | 88 | Confident | 87.5 | Confident | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64 | -37.5 | -177 | -62.7 | -177.5 | 0 | 0 | 0 | 113.1 | F490 L493 E494 R499 C500 L505 I508 L522 | F490-L497 HydrophobicContact CD2-CD1 3.9Å; F490-L497 HydrophobicContact CE2-CD1 3.55Å; F490-L497 HydrophobicContact CZ-CD1 4.43Å; L493-L497 HydrophobicContact CB-CG 4.47Å; L493-L497 HydrophobicContact CD2-CD1 4.05Å; L493-L497 HydrophobicContact CD2-CD2 3.84Å; L493-L497 HydrophobicContact CD2-CG 3.9Å; L493-L497 HydrophobicContact CG-CD1 4.41Å; L493-L497 HydrophobicContact CG-CD2 4.26Å; L493-L497 HydrophobicContact CG-CG 3.98Å; L493-L497 PolarHBondContact O-N 2.8Å; E494-L497 PolarHBondContact O-N 2.92Å; E494-L497 VanDerWaalsContact O-N 3.08Å; L497-R499 PolarHBondContact O-N 2.79Å; L497-C500 VanDerWaalsContact O-CB 3.29Å; L497-C500 WeakPolarHBondContact O-CB 3.42Å; L497-C500 PolarHBondContact O-N 2.77Å; L497-L505 HydrophobicContact CB-CD1 4.37Å; L497-L505 HydrophobicContact CD1-CD1 4.48Å; L497-L505 HydrophobicContact CD2-CD1 4.21Å; L497-I508 HydrophobicContact CD2-CD1 4.14Å; L497-I508 HydrophobicContact CD2-CG2 4.15Å; L497-L522 HydrophobicContact CB-CD1 3.5Å; L497-L522 VanDerWaalsContact CB-CD1 3.5Å; L497-L522 HydrophobicContact CD1-CD1 4.09Å; L497-L522 HydrophobicContact CG-CD1 4.45Å |
| 498 | E | 90.1 | Very high | 88.1 | Confident | 104 Ų | 104 | 55.1 Ų | 55.1 | 49% | 0.486 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -27 | 172.9 | 172.6 | 169.3 | -116 | 0 | 0 | 113.1 | E494 V496 L522 R525 | E494-E498 PolarHBondContact O-N 3.37Å; V496-E498 PolarHBondContact O-N 3.48Å; E498-L522 HydrophobicContact CB-CD2 4.36Å; E498-R525 IonicContact OE1-CZ 3.91Å; E498-R525 IonicContact OE1-NH1 2.73Å; E498-R525 PolarHBondContact OE1-NH1 2.64Å |
| 499 | R | 87 | Confident | 88.3 | Confident | 160 Ų | 160 | 52.7 Ų | 52.7 | 60% | 0.604 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | -0.8 | -175.8 | -49.9 | -167.8 | 79.1 | 177.9 | 6.1 | 113.5 | Q476 V496 L497 | Q476-R499 VanDerWaalsContact NE2-CD 3.27Å; V496-R499 PolarHBondContact O-N 3.17Å; V496-R499 VanDerWaalsContact O-N 3.08Å; L497-R499 PolarHBondContact O-N 2.79Å |
| 500 | C | 88.3 | Confident | 88.2 | Confident | 5 Ų | 5 | 54.8 Ų | 54.8 | 3% | 0.034 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -66.4 | 158.1 | 172.6 | -66.6 | 0 | 0 | 0 | 0 | 111.3 | I479 V496 L497 Q504 L505 | I479-C500 HydrophobicContact CG2-CB 4.42Å; I479-C500 WeakPolarHBondContact CG2-SG 3.21Å; V496-C500 PolarHBondContact O-N 3.04Å; L497-C500 VanDerWaalsContact O-CB 3.29Å; L497-C500 WeakPolarHBondContact O-CB 3.42Å; L497-C500 PolarHBondContact O-N 2.77Å; C500-Q504 HydrophobicContact CB-CB 3.96Å; C500-L505 HydrophobicContact CB-CB 4.23Å |
| 501 | T | 89.1 | Confident | 88.1 | Confident | 56 Ų | 56 | 56 Ų | 56 | 34% | 0.344 | 26% | 0.263 | S | S | . | . | trans | -76.6 | 157.6 | 156 | 79.7 | 0 | 0 | 0 | 0 | 109.8 | E503 Q504 L505 | T501-E503 WeakPolarHBondContact CB-OE2 3.34Å; T501-E503 PolarHBondContact O-N 3.09Å; T501-E503 PolarHBondContact OG1-OE2 2.59Å; T501-Q504 WeakPolarHBondContact O-CA 3.26Å; T501-Q504 WeakPolarHBondContact O-CB 3.38Å; T501-Q504 PolarHBondContact O-N 3.21Å; T501-Q504 PolarHBondContact OG1-N 3.22Å; T501-L505 PolarHBondContact O-N 3.34Å | ||
| 502 | P | 88.5 | Confident | 87.7 | Confident | 6 Ų | 6 | 48.9 Ų | 48.9 | 4% | 0.039 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -55.1 | -36.7 | 176.9 | -25.6 | 36.2 | 0 | 0 | 0 | 112.7 | Q504 L505 Y506 W523 H526 Y546 | P502-Q504 VanDerWaalsContact C-N 3.34Å; P502-L505 PolarHBondContact O-N 2.95Å; P502-Y506 WeakPolarHBondContact O-CB 3.35Å; P502-Y506 PolarHBondContact O-N 2.68Å; P502-W523 HydrophobicContact CB-CH2 4.16Å; P502-W523 HydrophobicContact CB-CZ3 3.76Å; P502-W523 VanDerWaalsContact O-CH2 3.26Å; P502-W523 WeakPolarHBondContact O-CH2 3.44Å; P502-H526 HydrophobicContact CG-CB 4.18Å; P502-Y546 HydrophobicContact CB-CD1 4.28Å; P502-Y546 HydrophobicContact CB-CE1 3.59Å; P502-Y546 HydrophobicContact CB-CE2 4.37Å; P502-Y546 HydrophobicContact CG-CE1 4.09Å; P502-Y546 HydrophobicContact CG-CE2 4.1Å; P502-Y546 WeakPolarHBondContact CG-OH 3.45Å |
| 503 | E | 87.8 | Confident | 87.2 | Confident | 89 Ų | 89 | 52.5 Ų | 52.5 | 42% | 0.416 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -77.5 | -18.4 | 179.3 | -39.6 | 76.9 | -171.2 | 0 | 0 | 112.8 | T501 R507 | T501-E503 WeakPolarHBondContact CB-OE2 3.34Å; T501-E503 PolarHBondContact O-N 3.09Å; T501-E503 PolarHBondContact OG1-OE2 2.59Å; E503-R507 WeakPolarHBondContact O-CG 3.44Å; E503-R507 PolarHBondContact O-NE 3.38Å |
| 504 | Q | 90 | Very high | 86.6 | Confident | 24 Ų | 24 | 56.3 Ų | 56.3 | 11% | 0.112 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -78.1 | -48.6 | 166.2 | -77.1 | 168.4 | -19.8 | 0 | 0 | 110.4 | I479 D480 C500 T501 P502 Y506 R507 I508 | I479-Q504 HydrophobicContact CG2-CB 3.94Å; I479-Q504 HydrophobicContact CG2-CG 4.01Å; D480-Q504 VanDerWaalsContact CG-NE2 3.3Å; D480-Q504 PolarHBondContact OD1-NE2 3.16Å; D480-Q504 PolarHBondContact OD2-NE2 3.37Å; C500-Q504 HydrophobicContact CB-CB 3.96Å; T501-Q504 WeakPolarHBondContact O-CA 3.26Å; T501-Q504 WeakPolarHBondContact O-CB 3.38Å; T501-Q504 PolarHBondContact O-N 3.21Å; T501-Q504 PolarHBondContact OG1-N 3.22Å; P502-Q504 VanDerWaalsContact C-N 3.34Å; Q504-Y506 PolarHBondContact O-N 2.85Å; Q504-R507 PolarHBondContact O-N 2.81Å; Q504-I508 WeakPolarHBondContact O-CG1 3.47Å; Q504-I508 PolarHBondContact O-N 2.66Å; Q504-I508 VanDerWaalsContact O-N 3.09Å |
| 505 | L | 89.8 | Confident | 86 | Confident | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -56.9 | -48.3 | 179.6 | 179.1 | 59.5 | 0 | 0 | 0 | 111.6 | L497 C500 T501 P502 R507 I508 E509 L522 W523 | L497-L505 HydrophobicContact CB-CD1 4.37Å; L497-L505 HydrophobicContact CD1-CD1 4.48Å; L497-L505 HydrophobicContact CD2-CD1 4.21Å; C500-L505 HydrophobicContact CB-CB 4.23Å; T501-L505 PolarHBondContact O-N 3.34Å; P502-L505 PolarHBondContact O-N 2.95Å; L505-R507 VanDerWaalsContact C-N 3.34Å; L505-R507 PolarHBondContact O-N 2.7Å; L505-I508 PolarHBondContact O-N 2.66Å; L505-I508 VanDerWaalsContact O-N 3.09Å; L505-E509 VanDerWaalsContact CG-OE1 3.32Å; L505-E509 WeakPolarHBondContact CG-OE1 3.33Å; L505-E509 PolarHBondContact O-N 3Å; L505-L522 HydrophobicContact CD1-CD1 3.9Å; L505-L522 HydrophobicContact CD2-CB 3.74Å; L505-L522 HydrophobicContact CD2-CD1 4.18Å; L505-W523 HydrophobicContact CB-CZ2 4.24Å; L505-W523 HydrophobicContact CD2-CD2 4.11Å; L505-W523 HydrophobicContact CD2-CG 4.43Å; L505-W523 HydrophobicContact CD2-CZ2 3.89Å; L505-W523 HydrophobicContact CG-CZ2 3.86Å |
| 506 | Y | 88.4 | Confident | 85.3 | Confident | 82 Ų | 82 | 54 Ų | 54 | 32% | 0.322 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -56.2 | -41.6 | 176.1 | -174.2 | -111.4 | 0 | 0 | 0 | 113.8 | P502 Q504 E509 Q510 L547 | P502-Y506 WeakPolarHBondContact O-CB 3.35Å; P502-Y506 PolarHBondContact O-N 2.68Å; Q504-Y506 PolarHBondContact O-N 2.85Å; Y506-E509 PolarHBondContact O-N 2.94Å; Y506-Q510 HydrophobicContact CE1-CG 4.39Å; Y506-Q510 VanDerWaalsContact CZ-NE2 3.33Å; Y506-Q510 WeakPolarHBondContact O-CG 3.44Å; Y506-Q510 PolarHBondContact O-N 3.22Å; Y506-Q510 PolarHBondContact OH-NE2 2.9Å; Y506-L547 HydrophobicContact CD2-CD1 4.21Å; Y506-L547 HydrophobicContact CD2-CD2 3.89Å; Y506-L547 HydrophobicContact CE2-CD1 3.78Å; Y506-L547 HydrophobicContact CE2-CD2 3.84Å; Y506-L547 HydrophobicContact CE2-CG 4.48Å; Y506-L547 HydrophobicContact CG-CD2 4.48Å |
| 507 | R | 88.9 | Confident | 84.8 | Confident | 119 Ų | 119 | 60.1 Ų | 60.1 | 45% | 0.449 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -68.3 | -35.2 | 177.1 | -74.2 | -177.9 | -70.4 | 147.8 | -2.8 | 112.4 | D480 E503 Q504 L505 S511 | D480-R507 IonicContact OD1-CZ 2.66Å; D480-R507 IonicContact OD1-NH1 2.66Å; D480-R507 PolarHBondContact OD1-NH1 2.95Å; D480-R507 IonicContact OD1-NH2 2.69Å; D480-R507 PolarHBondContact OD1-NH2 2.75Å; E503-R507 WeakPolarHBondContact O-CG 3.44Å; E503-R507 PolarHBondContact O-NE 3.38Å; Q504-R507 PolarHBondContact O-N 2.81Å; L505-R507 VanDerWaalsContact C-N 3.34Å; L505-R507 PolarHBondContact O-N 2.7Å; R507-S511 PolarHBondContact O-N 2.95Å; R507-S511 PolarHBondContact O-OG 2.99Å |
| 508 | I | 86.9 | Confident | 84.4 | Confident | 4 Ų | 4 | 63.9 Ų | 63.9 | 2% | 0.021 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -71.1 | -39.4 | 177.1 | -65.4 | 165.4 | 0 | 0 | 0 | 110.2 | I479 I482 V485 L497 Q504 L505 S511 N512 | I479-I508 HydrophobicContact CG2-CD1 4.21Å; I482-I508 HydrophobicContact CB-CD1 4.42Å; I482-I508 HydrophobicContact CG2-CD1 4.42Å; I482-I508 WeakPolarHBondContact O-CG1 3.44Å; V485-I508 HydrophobicContact CG2-CG2 4.36Å; L497-I508 HydrophobicContact CD2-CD1 4.14Å; L497-I508 HydrophobicContact CD2-CG2 4.15Å; Q504-I508 WeakPolarHBondContact O-CG1 3.47Å; Q504-I508 PolarHBondContact O-N 2.66Å; Q504-I508 VanDerWaalsContact O-N 3.09Å; L505-I508 PolarHBondContact O-N 2.66Å; L505-I508 VanDerWaalsContact O-N 3.09Å; I508-S511 PolarHBondContact O-N 3.24Å; I508-S511 PolarHBondContact O-OG 2.93Å; I508-S511 VanDerWaalsContact O-OG 3.05Å; I508-N512 WeakPolarHBondContact O-CB 3.39Å; I508-N512 PolarHBondContact O-N 3.34Å; I508-N512 PolarHBondContact O-ND2 2.87Å |
| 509 | E | 87.3 | Confident | 84.2 | Confident | 3 Ų | 3 | 59 Ų | 59 | 1% | 0.014 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.3 | -44.2 | 173.8 | -72.8 | 161.8 | -163.8 | 0 | 0 | 113.4 | L505 Y506 S511 N512 Q513 S519 W523 R543 | L505-E509 VanDerWaalsContact CG-OE1 3.32Å; L505-E509 WeakPolarHBondContact CG-OE1 3.33Å; L505-E509 PolarHBondContact O-N 3Å; Y506-E509 PolarHBondContact O-N 2.94Å; E509-S511 PolarHBondContact O-N 3.4Å; E509-S511 VanDerWaalsContact O-N 3.13Å; E509-N512 CarbonylContact O-C 3.49Å; E509-N512 PolarHBondContact O-N 2.91Å; E509-Q513 PolarHBondContact O-N 3.42Å; E509-S519 WeakPolarHBondContact OE1-CB 3.3Å; E509-S519 PolarHBondContact OE1-OG 2.77Å; E509-W523 PolarHBondContact OE1-NE1 3.01Å; E509-R543 IonicContact OE2-CZ 3.18Å; E509-R543 VanDerWaalsContact OE2-CZ 3.28Å; E509-R543 IonicContact OE2-NE 2.71Å; E509-R543 PolarHBondContact OE2-NE 2.92Å; E509-R543 IonicContact OE2-NH2 3.37Å; E509-R543 PolarHBondContact OE2-NH2 3.22Å |
| 510 | Q | 84.3 | Confident | 84.2 | Confident | 116 Ų | 116 | 53.1 Ų | 53.1 | 54% | 0.542 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -55.5 | -31.5 | 176.3 | -79.5 | -175.8 | -19.4 | 0 | 0 | 112.4 | Y506 | Y506-Q510 HydrophobicContact CE1-CG 4.39Å; Y506-Q510 VanDerWaalsContact CZ-NE2 3.33Å; Y506-Q510 WeakPolarHBondContact O-CG 3.44Å; Y506-Q510 PolarHBondContact O-N 3.22Å; Y506-Q510 PolarHBondContact OH-NE2 2.9Å |
| 511 | S | 81.3 | Confident | 84.1 | Confident | 53 Ų | 53 | 58.5 Ų | 58.5 | 37% | 0.371 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -91.7 | -16.3 | 175.9 | 44.4 | 0 | 0 | 0 | 0 | 114 | A483 R507 I508 E509 | A483-S511 PolarHBondContact O-OG 3.3Å; R507-S511 PolarHBondContact O-N 2.95Å; R507-S511 PolarHBondContact O-OG 2.99Å; I508-S511 PolarHBondContact O-N 3.24Å; I508-S511 PolarHBondContact O-OG 2.93Å; I508-S511 VanDerWaalsContact O-OG 3.05Å; E509-S511 PolarHBondContact O-N 3.4Å; E509-S511 VanDerWaalsContact O-N 3.13Å |
| 512 | N | 81.5 | Confident | 84.2 | Confident | 11 Ų | 11 | 55.9 Ų | 55.9 | 6% | 0.059 | 28% | 0.276 | C | S | . | . | trans | -137.8 | 71.9 | -177 | -54.1 | -93.9 | 0 | 0 | 0 | 110.9 | A483 V485 I508 E509 C514 F515 | A483-N512 PolarHBondContact O-ND2 3.27Å; V485-N512 PolarHBondContact N-OD1 3.4Å; I508-N512 WeakPolarHBondContact O-CB 3.39Å; I508-N512 PolarHBondContact O-N 3.34Å; I508-N512 PolarHBondContact O-ND2 2.87Å; E509-N512 CarbonylContact O-C 3.49Å; E509-N512 PolarHBondContact O-N 2.91Å; N512-C514 PolarHBondContact O-N 3.06Å; N512-F515 HydrophobicContact CB-CD2 3.49Å; N512-F515 VanDerWaalsContact CB-CD2 3.49Å; N512-F515 HydrophobicContact CB-CE2 3.57Å; N512-F515 HydrophobicContact CB-CG 4.42Å; N512-F515 PolarHBondContact O-N 3.12Å | ||
| 513 | Q | 76.4 | Confident | 84.2 | Confident | 157 Ų | 157 | 55.7 Ų | 55.7 | 73% | 0.734 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -51.7 | -22.8 | -177.8 | -63.6 | 173.4 | 0 | 0 | 0 | 114.4 | E509 F515 T516 | E509-Q513 PolarHBondContact O-N 3.42Å; Q513-F515 PolarHBondContact O-N 3.39Å; Q513-T516 PolarHBondContact O-N 3.36Å; Q513-T516 PolarHBondContact O-OG1 3.08Å |
| 514 | C | 74.6 | Confident | 84.3 | Confident | 85 Ų | 85 | 53 Ų | 53 | 57% | 0.574 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -66.2 | -17.2 | 176.6 | 54.2 | 0 | 0 | 0 | 0 | 115 | N512 | N512-C514 PolarHBondContact O-N 3.06Š|
| 515 | F | 78 | Confident | 84.2 | Confident | 5 Ų | 5 | 55.3 Ų | 55.3 | 2% | 0.022 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -92.6 | -6.6 | 177.9 | -56.5 | -39.5 | 0 | 0 | 0 | 113.6 | V485 V488 F490 L493 N512 Q513 E517 D518 S519 | V485-F515 HydrophobicContact CB-CE2 4.09Å; V485-F515 HydrophobicContact CB-CZ 4.26Å; V485-F515 HydrophobicContact CG2-CE2 3.87Å; V488-F515 WeakPolarHBondContact O-CE1 3.29Å; V488-F515 WeakPolarHBondContact O-CZ 3.37Å; F490-F515 HydrophobicContact CB-CD1 3.99Å; F490-F515 HydrophobicContact CB-CE1 4.25Å; F490-F515 HydrophobicContact CD2-CB 4.14Å; F490-F515 AromaticContact CD2-CD1 3.93Å; F490-F515 HydrophobicContact CD2-CD1 3.93Å; F490-F515 HydrophobicContact CD2-CG 4.2Å; F490-F515 HydrophobicContact CG-CD1 4.47Å; L493-F515 HydrophobicContact CD2-CE2 3.96Å; L493-F515 HydrophobicContact CD2-CZ 4.26Å; N512-F515 HydrophobicContact CB-CD2 3.49Å; N512-F515 VanDerWaalsContact CB-CD2 3.49Å; N512-F515 HydrophobicContact CB-CE2 3.57Å; N512-F515 HydrophobicContact CB-CG 4.42Å; N512-F515 PolarHBondContact O-N 3.12Å; Q513-F515 PolarHBondContact O-N 3.39Å; F515-E517 VanDerWaalsContact C-N 3.3Å; F515-E517 PolarHBondContact O-N 3.25Å; F515-D518 PolarHBondContact O-N 3.26Å; F515-S519 WeakPolarHBondContact O-CB 3.35Å; F515-S519 PolarHBondContact O-N 2.95Å; F515-S519 PolarHBondContact O-OG 3.46Å |
| 516 | T | 75.4 | Confident | 84.1 | Confident | 49 Ų | 49 | 55.5 Ų | 55.5 | 30% | 0.301 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -39.6 | -172.1 | -37.5 | 0 | 0 | 0 | 0 | 112.4 | Q513 S519 | Q513-T516 PolarHBondContact O-N 3.36Å; Q513-T516 PolarHBondContact O-OG1 3.08Å; T516-S519 PolarHBondContact O-OG 3.5Å |
| 517 | E | 79.2 | Confident | 84 | Confident | 131 Ų | 131 | 51.7 Ų | 51.7 | 61% | 0.612 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -49.8 | 178.3 | -69.6 | 165.8 | -161.7 | 0 | 0 | 111.7 | R65 F515 S519 | R65-E517 IonicContact CZ-OE1 2.73Å; R65-E517 IonicContact NH1-OE1 3.16Å; R65-E517 PolarHBondContact NH1-OE1 2.94Å; R65-E517 IonicContact NH2-OE1 3.13Å; R65-E517 PolarHBondContact NH2-OE1 3.49Å; F515-E517 VanDerWaalsContact C-N 3.3Å; F515-E517 PolarHBondContact O-N 3.25Å; E517-S519 VanDerWaalsContact C-N 3.29Å; E517-S519 PolarHBondContact O-N 3.14Å |
| 518 | D | 80.7 | Confident | 83.8 | Confident | 81 Ų | 81 | 53.6 Ų | 53.6 | 43% | 0.433 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -25.6 | -179.5 | -55.6 | -40.1 | 0 | 0 | 0 | 113 | F490 F515 D520 | F490-D518 HydrophobicContact CB-CB 4.08Å; F490-D518 VanDerWaalsContact CB-OD2 3.28Å; F490-D518 WeakPolarHBondContact CB-OD2 3.29Å; F490-D518 HydrophobicContact CD1-CB 3.57Å; F490-D518 HydrophobicContact CD2-CB 3.52Å; F490-D518 HydrophobicContact CE1-CB 3.75Å; F490-D518 HydrophobicContact CE2-CB 3.69Å; F490-D518 HydrophobicContact CG-CB 3.45Å; F490-D518 VanDerWaalsContact CG-CB 3.45Å; F490-D518 HydrophobicContact CZ-CB 3.79Å; F490-D518 WeakPolarHBondContact CZ-O 3.35Å; F515-D518 PolarHBondContact O-N 3.26Å; D518-D520 VanDerWaalsContact C-N 3.31Å; D518-D520 PolarHBondContact O-N 3.38Å |
| 519 | S | 84.3 | Confident | 83.8 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -18.5 | -174.1 | 68.7 | 0 | 0 | 0 | 0 | 115 | E509 F515 T516 E517 E521 L522 W523 | E509-S519 WeakPolarHBondContact OE1-CB 3.3Å; E509-S519 PolarHBondContact OE1-OG 2.77Å; F515-S519 WeakPolarHBondContact O-CB 3.35Å; F515-S519 PolarHBondContact O-N 2.95Å; F515-S519 PolarHBondContact O-OG 3.46Å; T516-S519 PolarHBondContact O-OG 3.5Å; E517-S519 VanDerWaalsContact C-N 3.29Å; E517-S519 PolarHBondContact O-N 3.14Å; S519-E521 PolarHBondContact O-N 3.09Å; S519-E521 VanDerWaalsContact O-N 3.16Å; S519-L522 WeakPolarHBondContact O-CA 3.23Å; S519-L522 WeakPolarHBondContact O-CB 3.39Å; S519-L522 PolarHBondContact O-N 3.5Å; S519-W523 VanDerWaalsContact O-CD1 3.29Å; S519-W523 PolarHBondContact O-N 2.83Å |
| 520 | D | 87.5 | Confident | 83.6 | Confident | 38 Ų | 38 | 61.1 Ų | 61.1 | 20% | 0.203 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.8 | -25.1 | -168 | -154.5 | 49.1 | 0 | 0 | 0 | 112.9 | D518 L522 W523 M524 W542 R543 | D518-D520 VanDerWaalsContact C-N 3.31Å; D518-D520 PolarHBondContact O-N 3.38Å; D520-L522 VanDerWaalsContact C-N 3.3Å; D520-L522 PolarHBondContact O-N 3.23Å; D520-W523 PolarHBondContact O-N 3.04Å; D520-M524 WeakPolarHBondContact O-CB 3.39Å; D520-M524 PolarHBondContact O-N 3.07Å; D520-W542 WeakPolarHBondContact OD1-CA 3.38Å; D520-W542 WeakPolarHBondContact OD1-CB 3.32Å; D520-W542 PolarHBondContact OD1-N 3.35Å; D520-W542 VanDerWaalsContact OD2-CD1 3.27Å; D520-W542 PolarHBondContact OD2-N 3.43Å; D520-W542 VanDerWaalsContact OD2-N 3.07Å; D520-R543 WeakPolarHBondContact OD1-CB 3.25Å; D520-R543 PolarHBondContact OD1-N 2.88Å |
| 521 | E | 86.7 | Confident | 83.4 | Confident | 118 Ų | 118 | 57 Ų | 57 | 55% | 0.551 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -68.2 | -26.4 | 170.3 | -70.7 | -152.7 | 170.5 | 0 | 0 | 114 | S519 M524 R525 | S519-E521 PolarHBondContact O-N 3.09Å; S519-E521 VanDerWaalsContact O-N 3.16Å; E521-M524 HydrophobicContact CB-CE 4.32Å; E521-M524 HydrophobicContact CG-CE 4.2Å; E521-R525 WeakPolarHBondContact O-CG 3.02Å; E521-R525 PolarHBondContact O-N 2.97Å; E521-R525 VanDerWaalsContact O-N 3.09Å; E521-R525 PolarHBondContact O-NE 2.91Å; E521-R525 IonicContact OE2-NH2 3.36Å |
| 522 | L | 90 | Very high | 83.3 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -74.7 | -42.4 | 174.1 | -50.8 | 175.2 | 0 | 0 | 0 | 109.7 | F490 E494 L497 E498 L505 S519 D520 M524 R525 H526 | F490-L522 HydrophobicContact CE2-CD1 4.09Å; F490-L522 HydrophobicContact CZ-CD1 3.93Å; F490-L522 HydrophobicContact CZ-CG 4.31Å; E494-L522 HydrophobicContact CG-CD2 4.27Å; L497-L522 HydrophobicContact CB-CD1 3.5Å; L497-L522 VanDerWaalsContact CB-CD1 3.5Å; L497-L522 HydrophobicContact CD1-CD1 4.09Å; L497-L522 HydrophobicContact CG-CD1 4.45Å; E498-L522 HydrophobicContact CB-CD2 4.36Å; L505-L522 HydrophobicContact CD1-CD1 3.9Å; L505-L522 HydrophobicContact CD2-CB 3.74Å; L505-L522 HydrophobicContact CD2-CD1 4.18Å; S519-L522 WeakPolarHBondContact O-CA 3.23Å; S519-L522 WeakPolarHBondContact O-CB 3.39Å; S519-L522 PolarHBondContact O-N 3.5Å; D520-L522 VanDerWaalsContact C-N 3.3Å; D520-L522 PolarHBondContact O-N 3.23Å; L522-M524 VanDerWaalsContact C-N 3.35Å; L522-M524 PolarHBondContact O-N 2.58Å; L522-R525 WeakPolarHBondContact O-CB 3.44Å; L522-R525 PolarHBondContact O-N 3.14Å; L522-R525 VanDerWaalsContact O-N 3.14Å; L522-H526 PolarHBondContact O-N 2.85Å |
| 523 | W | 90.4 | Very high | 82.7 | Confident | 2 Ų | 2 | 72.7 Ų | 72.7 | 1% | 0.008 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.6 | -42.8 | 171.2 | -68.4 | 105.4 | 0 | 0 | 0 | 111.9 | P502 L505 E509 S519 D520 R525 H526 C527 W542 R543 Y546 | P502-W523 HydrophobicContact CB-CH2 4.16Å; P502-W523 HydrophobicContact CB-CZ3 3.76Å; P502-W523 VanDerWaalsContact O-CH2 3.26Å; P502-W523 WeakPolarHBondContact O-CH2 3.44Å; L505-W523 HydrophobicContact CB-CZ2 4.24Å; L505-W523 HydrophobicContact CD2-CD2 4.11Å; L505-W523 HydrophobicContact CD2-CG 4.43Å; L505-W523 HydrophobicContact CD2-CZ2 3.89Å; L505-W523 HydrophobicContact CG-CZ2 3.86Å; E509-W523 PolarHBondContact OE1-NE1 3.01Å; S519-W523 VanDerWaalsContact O-CD1 3.29Å; S519-W523 PolarHBondContact O-N 2.83Å; D520-W523 PolarHBondContact O-N 3.04Å; W523-R525 VanDerWaalsContact C-N 3.32Å; W523-R525 PolarHBondContact O-N 3.19Å; W523-H526 CarbonylContact O-C 3.4Å; W523-H526 PolarHBondContact O-N 3.01Å; W523-H526 VanDerWaalsContact O-N 3.08Å; W523-C527 PolarHBondContact O-N 2.81Å; W523-C527 PolarHBondContact O-SG 3.22Å; W523-W542 HydrophobicContact CB-CB 3.95Å; W523-R543 HydrophobicContact CB-CB 4.16Å; W523-R543 HydrophobicContact CD2-CB 4.13Å; W523-R543 HydrophobicContact CD2-CG 4.09Å; W523-R543 HydrophobicContact CG-CB 3.69Å; W523-R543 HydrophobicContact CG-CG 4.09Å; W523-R543 HydrophobicContact CZ2-CG 4.45Å; W523-Y546 AromaticContact CE3-CD1 3.97Å; W523-Y546 HydrophobicContact CE3-CD1 3.97Å; W523-Y546 HydrophobicContact CE3-CD2 4.3Å; W523-Y546 AromaticContact CE3-CG 3.67Å; W523-Y546 HydrophobicContact CE3-CG 3.67Å; W523-Y546 AromaticContact CZ3-CD1 3.48Å; W523-Y546 HydrophobicContact CZ3-CD1 3.48Å; W523-Y546 VanDerWaalsContact CZ3-CD1 3.48Å; W523-Y546 HydrophobicContact CZ3-CD2 4.49Å; W523-Y546 HydrophobicContact CZ3-CE1 4.14Å; W523-Y546 AromaticContact CZ3-CG 3.7Å; W523-Y546 HydrophobicContact CZ3-CG 3.7Å |
| 524 | M | 87.9 | Confident | 82.5 | Confident | 32 Ų | 32 | 70.4 Ų | 70.4 | 16% | 0.158 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -57 | -43.5 | 171.7 | -178.8 | 177.9 | 53.8 | 0 | 0 | 112.1 | D520 E521 L522 H526 R528 W542 | D520-M524 WeakPolarHBondContact O-CB 3.39Å; D520-M524 PolarHBondContact O-N 3.07Å; E521-M524 HydrophobicContact CB-CE 4.32Å; E521-M524 HydrophobicContact CG-CE 4.2Å; L522-M524 VanDerWaalsContact C-N 3.35Å; L522-M524 PolarHBondContact O-N 2.58Å; M524-H526 VanDerWaalsContact C-N 3.33Å; M524-H526 PolarHBondContact O-N 2.73Å; M524-R528 WeakPolarHBondContact O-CB 3.42Å; M524-R528 VanDerWaalsContact O-CG 3.25Å; M524-R528 WeakPolarHBondContact O-CG 3.48Å; M524-R528 PolarHBondContact O-N 2.95Å; M524-R528 VanDerWaalsContact SD-CZ 3.5Å; M524-R528 PolarHBondContact SD-NH2 3.46Å; M524-W542 HydrophobicContact CB-CB 4.08Å; M524-W542 HydrophobicContact CB-CD2 3.7Å; M524-W542 HydrophobicContact CB-CE3 4.28Å; M524-W542 HydrophobicContact CB-CG 3.58Å; M524-W542 HydrophobicContact CG-CD2 3.73Å; M524-W542 HydrophobicContact CG-CE3 4.15Å; M524-W542 HydrophobicContact CG-CG 4.13Å; M524-W542 HydrophobicContact CG-CH2 4.38Å; M524-W542 HydrophobicContact CG-CZ2 3.98Å; M524-W542 HydrophobicContact CG-CZ3 4.46Å; M524-W542 HydrophobicContact SD-CZ2 4.07Å |
| 525 | R | 88.2 | Confident | 82.2 | Confident | 73 Ų | 73 | 70.3 Ų | 70.3 | 28% | 0.275 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.5 | -40.1 | 174.7 | -74.7 | 173.1 | -118.7 | -173 | -0.4 | 111.2 | E494 E498 E521 L522 W523 R529 | E494-R525 IonicContact OE1-CZ 3.58Å; E494-R525 IonicContact OE1-NH1 3.31Å; E494-R525 PolarHBondContact OE1-NH1 3.05Å; E494-R525 VanDerWaalsContact OE1-NH1 3.09Å; E494-R525 IonicContact OE1-NH2 3.46Å; E494-R525 PolarHBondContact OE1-NH2 3.39Å; E498-R525 IonicContact OE1-CZ 3.91Å; E498-R525 IonicContact OE1-NH1 2.73Å; E498-R525 PolarHBondContact OE1-NH1 2.64Å; E521-R525 WeakPolarHBondContact O-CG 3.02Å; E521-R525 PolarHBondContact O-N 2.97Å; E521-R525 VanDerWaalsContact O-N 3.09Å; E521-R525 PolarHBondContact O-NE 2.91Å; E521-R525 IonicContact OE2-NH2 3.36Å; L522-R525 WeakPolarHBondContact O-CB 3.44Å; L522-R525 PolarHBondContact O-N 3.14Å; L522-R525 VanDerWaalsContact O-N 3.14Å; W523-R525 VanDerWaalsContact C-N 3.32Å; W523-R525 PolarHBondContact O-N 3.19Å; R525-R529 WeakPolarHBondContact O-CB 3.49Å; R525-R529 PolarHBondContact O-N 2.88Å; R525-R529 VanDerWaalsContact O-N 3.14Å |
| 526 | H | 88.4 | Confident | 82.1 | Confident | 6 Ų | 6 | 71.8 Ų | 71.8 | 3% | 0.028 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -70.9 | -44.6 | 176.2 | -64.4 | -26.9 | 0 | 0 | 0 | 113.2 | P502 L522 W523 M524 R528 R529 D530 Y546 | P502-H526 HydrophobicContact CG-CB 4.18Å; L522-H526 PolarHBondContact O-N 2.85Å; W523-H526 CarbonylContact O-C 3.4Å; W523-H526 PolarHBondContact O-N 3.01Å; W523-H526 VanDerWaalsContact O-N 3.08Å; M524-H526 VanDerWaalsContact C-N 3.33Å; M524-H526 PolarHBondContact O-N 2.73Å; H526-R528 PolarHBondContact O-N 2.71Å; H526-R529 PolarHBondContact ND1-NH1 2.86Å; H526-R529 CarbonylContact O-C 3.38Å; H526-R529 WeakPolarHBondContact O-CA 3.17Å; H526-R529 WeakPolarHBondContact O-CB 3.35Å; H526-R529 PolarHBondContact O-N 3.42Å; H526-D530 PolarHBondContact O-N 3.33Å; H526-Y546 HydrophobicContact CB-CD2 4.01Å; H526-Y546 HydrophobicContact CB-CE2 3.93Å |
| 527 | C | 86.2 | Confident | 82 | Confident | 2 Ų | 2 | 75.6 Ų | 75.6 | 1% | 0.014 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -56.5 | -48.8 | 173.5 | -75 | 0 | 0 | 0 | 0 | 111.6 | W523 R529 D530 F531 W542 M545 | W523-C527 PolarHBondContact O-N 2.81Å; W523-C527 PolarHBondContact O-SG 3.22Å; C527-R529 PolarHBondContact O-N 3.08Å; C527-D530 PolarHBondContact O-N 3.1Å; C527-F531 CarbonylContact O-C 3.14Å; C527-F531 WeakPolarHBondContact O-CA 3.5Å; C527-F531 PolarHBondContact O-N 3.14Å; C527-W542 HydrophobicContact CB-CE3 3.77Å; C527-W542 HydrophobicContact CB-CZ3 4.13Å; C527-W542 PolarHBondContact SG-O 3.36Å; C527-W542 VanDerWaalsContact SG-O 3.38Å; C527-M545 HydrophobicContact CB-SD 4.16Å |
| 528 | R | 85.3 | Confident | 81.4 | Confident | 158 Ų | 158 | 77 Ų | 77 | 60% | 0.596 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -62.9 | -27.5 | 175.8 | -69 | 172.7 | -178.3 | -164.7 | 1.9 | 113.1 | M524 H526 | M524-R528 WeakPolarHBondContact O-CB 3.42Å; M524-R528 VanDerWaalsContact O-CG 3.25Å; M524-R528 WeakPolarHBondContact O-CG 3.48Å; M524-R528 PolarHBondContact O-N 2.95Å; M524-R528 VanDerWaalsContact SD-CZ 3.5Å; M524-R528 PolarHBondContact SD-NH2 3.46Å; H526-R528 PolarHBondContact O-N 2.71Å |
| 529 | R | 86.4 | Confident | 81 | Confident | 110 Ų | 110 | 83.1 Ų | 83.1 | 42% | 0.415 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -77.6 | -40.3 | 175.4 | -172.9 | -169.6 | 66.1 | -148.6 | -11.1 | 112.2 | R525 H526 C527 K532 | R525-R529 WeakPolarHBondContact O-CB 3.49Å; R525-R529 PolarHBondContact O-N 2.88Å; R525-R529 VanDerWaalsContact O-N 3.14Å; H526-R529 PolarHBondContact ND1-NH1 2.86Å; H526-R529 CarbonylContact O-C 3.38Å; H526-R529 WeakPolarHBondContact O-CA 3.17Å; H526-R529 WeakPolarHBondContact O-CB 3.35Å; H526-R529 PolarHBondContact O-N 3.42Å; C527-R529 PolarHBondContact O-N 3.08Å; R529-K532 WeakPolarHBondContact O-CE 3.46Å; R529-K532 PolarHBondContact O-NZ 3.22Å |
| 530 | D | 82.9 | Confident | 80.9 | Confident | 56 Ų | 56 | 85 Ų | 85 | 30% | 0.299 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -106.8 | -37.8 | -166 | -59.6 | -25.5 | 0 | 0 | 0 | 112.7 | H526 C527 Y546 | H526-D530 PolarHBondContact O-N 3.33Å; C527-D530 PolarHBondContact O-N 3.1Å; D530-Y546 HydrophobicContact CB-CE2 4.3Å; D530-Y546 PolarHBondContact OD2-OH 2.88Å |
| 531 | F | 81.2 | Confident | 80.9 | Confident | 29 Ų | 29 | 84.8 Ų | 84.8 | 13% | 0.127 | 38% | 0.384 | C | S | . | . | trans | -119.1 | 67.6 | -174 | -57.8 | -70.7 | 0 | 0 | 0 | 112.1 | C527 R533 Y546 L549 | C527-F531 CarbonylContact O-C 3.14Å; C527-F531 WeakPolarHBondContact O-CA 3.5Å; C527-F531 PolarHBondContact O-N 3.14Å; F531-R533 PolarHBondContact O-N 3.44Å; F531-Y546 HydrophobicContact CD2-CD2 4.14Å; F531-Y546 HydrophobicContact CD2-CE2 4.12Å; F531-Y546 AromaticContact CE2-CD2 3.91Å; F531-Y546 HydrophobicContact CE2-CD2 3.91Å; F531-Y546 AromaticContact CE2-CE2 3.68Å; F531-Y546 HydrophobicContact CE2-CE2 3.68Å; F531-Y546 HydrophobicContact CE2-CG 4.43Å; F531-L549 HydrophobicContact CB-CD1 4.05Å; F531-L549 HydrophobicContact CD1-CB 3.97Å; F531-L549 HydrophobicContact CD1-CD1 4.25Å; F531-L549 HydrophobicContact CD2-CB 4.06Å; F531-L549 HydrophobicContact CD2-CD1 4.22Å; F531-L549 HydrophobicContact CE1-CB 3.71Å; F531-L549 HydrophobicContact CE2-CB 3.81Å; F531-L549 HydrophobicContact CG-CB 4.14Å; F531-L549 HydrophobicContact CG-CD1 3.93Å; F531-L549 HydrophobicContact CZ-CB 3.63Å; F531-L549 WeakPolarHBondContact CZ-O 3.48Å | ||
| 532 | K | 77.4 | Confident | 81 | Confident | 162 Ų | 162 | 82.4 Ų | 82.4 | 70% | 0.704 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -67.5 | 10.4 | -176.7 | -66.8 | 89.1 | 160.7 | -175.3 | 0 | 116.3 | R529 | R529-K532 WeakPolarHBondContact O-CE 3.46Å; R529-K532 PolarHBondContact O-NZ 3.22Å |
| 533 | R | 69.9 | Low | 81 | Confident | 232 Ų | 232 | 84.7 Ų | 84.7 | 88% | 0.875 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -132.3 | -31.5 | -168 | -71.5 | -170.8 | 174.8 | -163.2 | -3 | 114.5 | F531 | F531-R533 PolarHBondContact O-N 3.44Š|
| 534 | E | 72.7 | Confident | 80.8 | Confident | 108 Ų | 108 | 89.4 Ų | 89.4 | 51% | 0.505 | 40% | 0.401 | S | S | . | . | trans | -82 | 151.3 | 168.9 | -82.5 | 61.6 | -140.6 | 0 | 0 | 111.3 | M545 L549 | E534-M545 HydrophobicContact CB-CE 3.82Å; E534-M545 VanDerWaalsContact O-CE 3.28Å; E534-M545 WeakPolarHBondContact O-CE 3.47Å; E534-L549 HydrophobicContact CB-CD1 3.71Å; E534-L549 HydrophobicContact CB-CD2 4.48Å; E534-L549 HydrophobicContact CG-CD1 4.11Å; E534-L549 HydrophobicContact CG-CD2 3.96Å | ||
| 535 | S | 68.4 | Low | 80.8 | Confident | 84 Ų | 84 | 87.9 Ų | 87.9 | 59% | 0.587 | 39% | 0.394 | S | S | * | . | trans | -104.7 | 164.1 | 163.3 | 55.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 536 | P | 74.2 | Confident | 80.9 | Confident | 35 Ų | 35 | 84.8 Ų | 84.8 | 23% | 0.227 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -55.4 | 146.8 | 161.6 | -20.4 | 32.1 | 0 | 0 | 0 | 110.3 | W542 M545 | P536-W542 HydrophobicContact CG-CD2 3.92Å; P536-W542 HydrophobicContact CG-CE3 3.78Å; P536-W542 HydrophobicContact CG-CH2 3.74Å; P536-W542 HydrophobicContact CG-CZ2 3.87Å; P536-W542 HydrophobicContact CG-CZ3 3.69Å; P536-M545 HydrophobicContact CB-SD 4.32Å; P536-M545 HydrophobicContact CG-SD 3.76Å |
| 537 | Q | 74.7 | Confident | 80.9 | Confident | 129 Ų | 129 | 86.2 Ų | 86.2 | 60% | 0.603 | 39% | 0.39 | S | S | * | . | P | Polyproline II helix | trans | -71.9 | 161.1 | 165.6 | -167.1 | 60 | 34.3 | 0 | 0 | 109.8 | F539 E540 | Q537-F539 PolarHBondContact O-N 2.99Å; Q537-E540 HydrophobicContact CB-CB 3.95Å; Q537-E540 PolarHBondContact N-OE2 3.25Å; Q537-E540 VanDerWaalsContact O-CB 3.31Å; Q537-E540 WeakPolarHBondContact O-CB 3.34Å; Q537-E540 PolarHBondContact O-N 2.93Å |
| 538 | E | 65.3 | Low | 81.1 | Confident | 160 Ų | 160 | 90.2 Ų | 90.2 | 75% | 0.748 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 128.8 | 174.6 | -63.7 | -177.5 | 164.2 | 0 | 0 | 110.8 | E540 | E538-E540 VanDerWaalsContact C-N 3.25Å; E538-E540 PolarHBondContact O-N 2.82Å |
| 539 | F | 72.3 | Confident | 81.2 | Confident | 211 Ų | 211 | 83 Ų | 83 | 93% | 0.925 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | 11.5 | -173.6 | -49.2 | -84.3 | 0 | 0 | 0 | 116.7 | Q537 | Q537-F539 PolarHBondContact O-N 2.99Š|
| 540 | E | 83 | Confident | 81.3 | Confident | 39 Ų | 39 | 79.3 Ų | 79.3 | 18% | 0.182 | 37% | 0.365 | C | S | . | . | trans | -88.8 | 131.6 | 174.2 | -170.2 | -179 | -131.6 | 0 | 0 | 111.5 | Q537 E538 E544 M545 R548 | Q537-E540 HydrophobicContact CB-CB 3.95Å; Q537-E540 PolarHBondContact N-OE2 3.25Å; Q537-E540 VanDerWaalsContact O-CB 3.31Å; Q537-E540 WeakPolarHBondContact O-CB 3.34Å; Q537-E540 PolarHBondContact O-N 2.93Å; E538-E540 VanDerWaalsContact C-N 3.25Å; E538-E540 PolarHBondContact O-N 2.82Å; E540-E544 HydrophobicContact CG-CB 3.76Å; E540-M545 HydrophobicContact CG-CB 4.16Å; E540-M545 WeakPolarHBondContact OE2-CB 3.44Å; E540-R548 IonicContact OE1-CZ 2.68Å; E540-R548 IonicContact OE1-NE 2.75Å; E540-R548 PolarHBondContact OE1-NE 3Å; E540-R548 IonicContact OE1-NH2 2.68Å; E540-R548 PolarHBondContact OE1-NH2 2.87Å; E540-R548 VanDerWaalsContact OE1-NH2 3.13Å; E540-R548 IonicContact OE2-CZ 3.28Å; E540-R548 IonicContact OE2-NE 2.95Å; E540-R548 IonicContact OE2-NH2 2.7Å; E540-R548 PolarHBondContact OE2-NH2 2.75Å | ||
| 541 | S | 88 | Confident | 81.6 | Confident | 34 Ų | 34 | 80.8 Ų | 80.8 | 24% | 0.238 | 37% | 0.373 | C | S | . | . | trans | -71 | 158 | 170.9 | 62.1 | 0 | 0 | 0 | 0 | 112 | R543 E544 M545 | S541-R543 PolarHBondContact O-N 2.64Å; S541-E544 VanDerWaalsContact CB-OE2 3.31Å; S541-E544 WeakPolarHBondContact CB-OE2 3.14Å; S541-E544 PolarHBondContact N-OE2 3.14Å; S541-E544 PolarHBondContact O-N 3.26Å; S541-E544 WeakPolarHBondContact OG-CB 3.31Å; S541-E544 VanDerWaalsContact OG-CG 3.25Å; S541-E544 WeakPolarHBondContact OG-CG 3.46Å; S541-E544 PolarHBondContact OG-N 3.04Å; S541-E544 VanDerWaalsContact OG-N 3.14Å; S541-E544 PolarHBondContact OG-OE2 2.8Å; S541-M545 WeakPolarHBondContact O-CB 3.23Å; S541-M545 PolarHBondContact O-N 3.44Å | ||
| 542 | W | 88.8 | Confident | 82.1 | Confident | 67 Ų | 67 | 82 Ų | 82 | 25% | 0.254 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.1 | -30.6 | 175.5 | -69.5 | 97.9 | 0 | 0 | 0 | 112 | D520 W523 M524 C527 P536 M545 Y546 | D520-W542 WeakPolarHBondContact OD1-CA 3.38Å; D520-W542 WeakPolarHBondContact OD1-CB 3.32Å; D520-W542 PolarHBondContact OD1-N 3.35Å; D520-W542 VanDerWaalsContact OD2-CD1 3.27Å; D520-W542 PolarHBondContact OD2-N 3.43Å; D520-W542 VanDerWaalsContact OD2-N 3.07Å; W523-W542 HydrophobicContact CB-CB 3.95Å; M524-W542 HydrophobicContact CB-CB 4.08Å; M524-W542 HydrophobicContact CB-CD2 3.7Å; M524-W542 HydrophobicContact CB-CE3 4.28Å; M524-W542 HydrophobicContact CB-CG 3.58Å; M524-W542 HydrophobicContact CG-CD2 3.73Å; M524-W542 HydrophobicContact CG-CE3 4.15Å; M524-W542 HydrophobicContact CG-CG 4.13Å; M524-W542 HydrophobicContact CG-CH2 4.38Å; M524-W542 HydrophobicContact CG-CZ2 3.98Å; M524-W542 HydrophobicContact CG-CZ3 4.46Å; M524-W542 HydrophobicContact SD-CZ2 4.07Å; C527-W542 HydrophobicContact CB-CE3 3.77Å; C527-W542 HydrophobicContact CB-CZ3 4.13Å; C527-W542 PolarHBondContact SG-O 3.36Å; C527-W542 VanDerWaalsContact SG-O 3.38Å; P536-W542 HydrophobicContact CG-CD2 3.92Å; P536-W542 HydrophobicContact CG-CE3 3.78Å; P536-W542 HydrophobicContact CG-CH2 3.74Å; P536-W542 HydrophobicContact CG-CZ2 3.87Å; P536-W542 HydrophobicContact CG-CZ3 3.69Å; W542-M545 HydrophobicContact CE3-SD 3.62Å; W542-M545 HydrophobicContact CZ3-CE 4.49Å; W542-M545 HydrophobicContact CZ3-SD 3.75Å; W542-Y546 WeakPolarHBondContact O-CB 3.49Å; W542-Y546 PolarHBondContact O-N 3.15Å |
| 543 | R | 89.1 | Confident | 82.7 | Confident | 49 Ų | 49 | 81.3 Ų | 81.3 | 19% | 0.185 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.2 | -51.6 | 172 | -178 | 176.6 | -173.4 | -86.6 | -2.3 | 113.1 | E509 D520 W523 S541 Y546 L547 | E509-R543 IonicContact OE2-CZ 3.18Å; E509-R543 VanDerWaalsContact OE2-CZ 3.28Å; E509-R543 IonicContact OE2-NE 2.71Å; E509-R543 PolarHBondContact OE2-NE 2.92Å; E509-R543 IonicContact OE2-NH2 3.37Å; E509-R543 PolarHBondContact OE2-NH2 3.22Å; D520-R543 WeakPolarHBondContact OD1-CB 3.25Å; D520-R543 PolarHBondContact OD1-N 2.88Å; W523-R543 HydrophobicContact CB-CB 4.16Å; W523-R543 HydrophobicContact CD2-CB 4.13Å; W523-R543 HydrophobicContact CD2-CG 4.09Å; W523-R543 HydrophobicContact CG-CB 3.69Å; W523-R543 HydrophobicContact CG-CG 4.09Å; W523-R543 HydrophobicContact CZ2-CG 4.45Å; S541-R543 PolarHBondContact O-N 2.64Å; R543-Y546 PolarHBondContact O-N 2.87Å; R543-L547 HydrophobicContact CG-CD1 4.33Å; R543-L547 WeakPolarHBondContact O-CG 3.25Å; R543-L547 PolarHBondContact O-N 3.44Å |
| 544 | E | 87.5 | Confident | 83.7 | Confident | 101 Ų | 101 | 75.3 Ų | 75.3 | 47% | 0.472 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.2 | -42.3 | 178.5 | -72.2 | 157.7 | 144.7 | 0 | 0 | 111.4 | E540 S541 Y546 L547 R548 | E540-E544 HydrophobicContact CG-CB 3.76Å; S541-E544 VanDerWaalsContact CB-OE2 3.31Å; S541-E544 WeakPolarHBondContact CB-OE2 3.14Å; S541-E544 PolarHBondContact N-OE2 3.14Å; S541-E544 PolarHBondContact O-N 3.26Å; S541-E544 WeakPolarHBondContact OG-CB 3.31Å; S541-E544 VanDerWaalsContact OG-CG 3.25Å; S541-E544 WeakPolarHBondContact OG-CG 3.46Å; S541-E544 PolarHBondContact OG-N 3.04Å; S541-E544 VanDerWaalsContact OG-N 3.14Å; S541-E544 PolarHBondContact OG-OE2 2.8Å; E544-Y546 VanDerWaalsContact C-N 3.31Å; E544-Y546 PolarHBondContact O-N 2.91Å; E544-L547 PolarHBondContact O-N 3.37Å; E544-R548 WeakPolarHBondContact O-CB 3.43Å; E544-R548 PolarHBondContact O-N 3.49Å |
| 545 | M | 87.8 | Confident | 84.7 | Confident | 1 Ų | 1 | 76.2 Ų | 76.2 | 1% | 0.005 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -55.1 | -45 | 172 | -177.1 | -151.8 | 170.9 | 0 | 0 | 111.6 | C527 E534 P536 E540 S541 W542 L549 | C527-M545 HydrophobicContact CB-SD 4.16Å; E534-M545 HydrophobicContact CB-CE 3.82Å; E534-M545 VanDerWaalsContact O-CE 3.28Å; E534-M545 WeakPolarHBondContact O-CE 3.47Å; P536-M545 HydrophobicContact CB-SD 4.32Å; P536-M545 HydrophobicContact CG-SD 3.76Å; E540-M545 HydrophobicContact CG-CB 4.16Å; E540-M545 WeakPolarHBondContact OE2-CB 3.44Å; S541-M545 WeakPolarHBondContact O-CB 3.23Å; S541-M545 PolarHBondContact O-N 3.44Å; W542-M545 HydrophobicContact CE3-SD 3.62Å; W542-M545 HydrophobicContact CZ3-CE 4.49Å; W542-M545 HydrophobicContact CZ3-SD 3.75Å; M545-L549 HydrophobicContact CE-CD1 3.72Å; M545-L549 HydrophobicContact CG-CD1 4.02Å; M545-L549 WeakPolarHBondContact O-CB 3.41Å; M545-L549 VanDerWaalsContact O-CG 3.32Å; M545-L549 WeakPolarHBondContact O-CG 3.43Å; M545-L549 PolarHBondContact O-N 2.99Å |
| 546 | Y | 89.3 | Confident | 85.9 | Confident | 7 Ų | 7 | 79.5 Ų | 79.5 | 3% | 0.027 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.2 | -49.9 | 177.5 | -168.6 | -80.9 | 0 | 0 | 0 | 111.2 | P502 W523 H526 D530 F531 W542 R543 E544 R548 L549 H550 | P502-Y546 HydrophobicContact CB-CD1 4.28Å; P502-Y546 HydrophobicContact CB-CE1 3.59Å; P502-Y546 HydrophobicContact CB-CE2 4.37Å; P502-Y546 HydrophobicContact CG-CE1 4.09Å; P502-Y546 HydrophobicContact CG-CE2 4.1Å; P502-Y546 WeakPolarHBondContact CG-OH 3.45Å; W523-Y546 AromaticContact CE3-CD1 3.97Å; W523-Y546 HydrophobicContact CE3-CD1 3.97Å; W523-Y546 HydrophobicContact CE3-CD2 4.3Å; W523-Y546 AromaticContact CE3-CG 3.67Å; W523-Y546 HydrophobicContact CE3-CG 3.67Å; W523-Y546 AromaticContact CZ3-CD1 3.48Å; W523-Y546 HydrophobicContact CZ3-CD1 3.48Å; W523-Y546 VanDerWaalsContact CZ3-CD1 3.48Å; W523-Y546 HydrophobicContact CZ3-CD2 4.49Å; W523-Y546 HydrophobicContact CZ3-CE1 4.14Å; W523-Y546 AromaticContact CZ3-CG 3.7Å; W523-Y546 HydrophobicContact CZ3-CG 3.7Å; H526-Y546 HydrophobicContact CB-CD2 4.01Å; H526-Y546 HydrophobicContact CB-CE2 3.93Å; D530-Y546 HydrophobicContact CB-CE2 4.3Å; D530-Y546 PolarHBondContact OD2-OH 2.88Å; F531-Y546 HydrophobicContact CD2-CD2 4.14Å; F531-Y546 HydrophobicContact CD2-CE2 4.12Å; F531-Y546 AromaticContact CE2-CD2 3.91Å; F531-Y546 HydrophobicContact CE2-CD2 3.91Å; F531-Y546 AromaticContact CE2-CE2 3.68Å; F531-Y546 HydrophobicContact CE2-CE2 3.68Å; F531-Y546 HydrophobicContact CE2-CG 4.43Å; W542-Y546 WeakPolarHBondContact O-CB 3.49Å; W542-Y546 PolarHBondContact O-N 3.15Å; R543-Y546 PolarHBondContact O-N 2.87Å; E544-Y546 VanDerWaalsContact C-N 3.31Å; E544-Y546 PolarHBondContact O-N 2.91Å; Y546-R548 PolarHBondContact O-N 2.95Å; Y546-L549 PolarHBondContact O-N 2.89Å; Y546-H550 HydrophobicContact CD1-CB 4.04Å; Y546-H550 HydrophobicContact CE1-CB 3.79Å; Y546-H550 AromaticContact CE1-CD2 3.92Å; Y546-H550 WeakPolarHBondContact O-CB 3.25Å; Y546-H550 PolarHBondContact O-N 3.48Å |
| 547 | L | 89.3 | Confident | 86.8 | Confident | 37 Ų | 37 | 82.5 Ų | 82.5 | 19% | 0.194 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -60.2 | -47.7 | -176.7 | -69.9 | 167.7 | 0 | 0 | 0 | 111.1 | Y506 R543 E544 L549 H550 D551 | Y506-L547 HydrophobicContact CD2-CD1 4.21Å; Y506-L547 HydrophobicContact CD2-CD2 3.89Å; Y506-L547 HydrophobicContact CE2-CD1 3.78Å; Y506-L547 HydrophobicContact CE2-CD2 3.84Å; Y506-L547 HydrophobicContact CE2-CG 4.48Å; Y506-L547 HydrophobicContact CG-CD2 4.48Å; R543-L547 HydrophobicContact CG-CD1 4.33Å; R543-L547 WeakPolarHBondContact O-CG 3.25Å; R543-L547 PolarHBondContact O-N 3.44Å; E544-L547 PolarHBondContact O-N 3.37Å; L547-L549 PolarHBondContact O-N 2.88Å; L547-H550 PolarHBondContact O-N 3.26Å; L547-D551 WeakPolarHBondContact O-CB 3.39Å; L547-D551 VanDerWaalsContact O-CG 3.25Å; L547-D551 PolarHBondContact O-N 3.16Å |
| 548 | R | 90.6 | Very high | 87.8 | Confident | 85 Ų | 85 | 85.6 Ų | 85.6 | 32% | 0.321 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -55.8 | -50.2 | 175.6 | 177.9 | 174.6 | 54.9 | 76.5 | -4.1 | 112.3 | E540 E544 Y546 H550 D551 E552 | E540-R548 IonicContact OE1-CZ 2.68Å; E540-R548 IonicContact OE1-NE 2.75Å; E540-R548 PolarHBondContact OE1-NE 3Å; E540-R548 IonicContact OE1-NH2 2.68Å; E540-R548 PolarHBondContact OE1-NH2 2.87Å; E540-R548 VanDerWaalsContact OE1-NH2 3.13Å; E540-R548 IonicContact OE2-CZ 3.28Å; E540-R548 IonicContact OE2-NE 2.95Å; E540-R548 IonicContact OE2-NH2 2.7Å; E540-R548 PolarHBondContact OE2-NH2 2.75Å; E544-R548 WeakPolarHBondContact O-CB 3.43Å; E544-R548 PolarHBondContact O-N 3.49Å; Y546-R548 PolarHBondContact O-N 2.95Å; R548-H550 VanDerWaalsContact C-N 3.34Å; R548-H550 PolarHBondContact O-N 3.48Å; R548-D551 PolarHBondContact O-N 2.77Å; R548-E552 IonicContact NH1-OE1 3.87Å; R548-E552 PolarHBondContact NH1-OE1 3.34Å; R548-E552 WeakPolarHBondContact O-CB 3.09Å; R548-E552 WeakPolarHBondContact O-CG 3.39Å; R548-E552 PolarHBondContact O-N 3.01Å |
| 549 | L | 87.1 | Confident | 89.2 | Confident | 6 Ų | 6 | 82.9 Ų | 82.9 | 3% | 0.031 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -73 | -26.9 | -178 | -66.3 | 173.6 | 0 | 0 | 0 | 113.3 | F531 E534 M545 Y546 L547 R553 | F531-L549 HydrophobicContact CB-CD1 4.05Å; F531-L549 HydrophobicContact CD1-CB 3.97Å; F531-L549 HydrophobicContact CD1-CD1 4.25Å; F531-L549 HydrophobicContact CD2-CB 4.06Å; F531-L549 HydrophobicContact CD2-CD1 4.22Å; F531-L549 HydrophobicContact CE1-CB 3.71Å; F531-L549 HydrophobicContact CE2-CB 3.81Å; F531-L549 HydrophobicContact CG-CB 4.14Å; F531-L549 HydrophobicContact CG-CD1 3.93Å; F531-L549 HydrophobicContact CZ-CB 3.63Å; F531-L549 WeakPolarHBondContact CZ-O 3.48Å; E534-L549 HydrophobicContact CB-CD1 3.71Å; E534-L549 HydrophobicContact CB-CD2 4.48Å; E534-L549 HydrophobicContact CG-CD1 4.11Å; E534-L549 HydrophobicContact CG-CD2 3.96Å; M545-L549 HydrophobicContact CE-CD1 3.72Å; M545-L549 HydrophobicContact CG-CD1 4.02Å; M545-L549 WeakPolarHBondContact O-CB 3.41Å; M545-L549 VanDerWaalsContact O-CG 3.32Å; M545-L549 WeakPolarHBondContact O-CG 3.43Å; M545-L549 PolarHBondContact O-N 2.99Å; Y546-L549 PolarHBondContact O-N 2.89Å; L547-L549 PolarHBondContact O-N 2.88Å; L549-R553 VanDerWaalsContact O-CB 3.29Å; L549-R553 WeakPolarHBondContact O-CB 3.37Å; L549-R553 PolarHBondContact O-N 3.23Å |
| 550 | H | 87.9 | Confident | 90.4 | Very high | 34 Ų | 34 | 77.4 Ų | 77.4 | 16% | 0.157 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -68 | -49.5 | 170.9 | -178.5 | -87.6 | 0 | 0 | 0 | 111 | Y546 L547 R548 R553 E554 | Y546-H550 HydrophobicContact CD1-CB 4.04Å; Y546-H550 HydrophobicContact CE1-CB 3.79Å; Y546-H550 AromaticContact CE1-CD2 3.92Å; Y546-H550 WeakPolarHBondContact O-CB 3.25Å; Y546-H550 PolarHBondContact O-N 3.48Å; L547-H550 PolarHBondContact O-N 3.26Å; R548-H550 VanDerWaalsContact C-N 3.34Å; R548-H550 PolarHBondContact O-N 3.48Å; H550-R553 CarbonylContact O-C 3.58Å; H550-R553 WeakPolarHBondContact O-CA 3.41Å; H550-R553 WeakPolarHBondContact O-CB 3.27Å; H550-R553 PolarHBondContact O-N 2.87Å; H550-E554 VanDerWaalsContact CE1-CG 3.48Å; H550-E554 WeakPolarHBondContact CE1-CG 3.31Å; H550-E554 IonicContact CE1-OE2 3.7Å; H550-E554 PolarHBondContact O-N 3.05Å |
| 551 | D | 89 | Confident | 91 | Very high | 86 Ų | 86 | 79.4 Ų | 79.4 | 46% | 0.46 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -67.5 | -43 | -178 | -67.9 | -6.9 | 0 | 0 | 0 | 111 | L547 R548 R553 E554 E555 | L547-D551 WeakPolarHBondContact O-CB 3.39Å; L547-D551 VanDerWaalsContact O-CG 3.25Å; L547-D551 PolarHBondContact O-N 3.16Å; R548-D551 PolarHBondContact O-N 2.77Å; D551-R553 PolarHBondContact O-N 3.17Å; D551-E554 PolarHBondContact O-N 3.18Å; D551-E555 WeakPolarHBondContact O-CB 3.42Å; D551-E555 WeakPolarHBondContact O-CG 3.46Å; D551-E555 PolarHBondContact O-N 3.28Å |
| 552 | E | 91.4 | Very high | 91.3 | Very high | 55 Ų | 55 | 83.8 Ų | 83.8 | 26% | 0.257 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -53.2 | -37.3 | 169.5 | -79.9 | -176.9 | -134.4 | 0 | 0 | 112.4 | R548 R556 | R548-E552 IonicContact NH1-OE1 3.87Å; R548-E552 PolarHBondContact NH1-OE1 3.34Å; R548-E552 WeakPolarHBondContact O-CB 3.09Å; R548-E552 WeakPolarHBondContact O-CG 3.39Å; R548-E552 PolarHBondContact O-N 3.01Å; E552-R556 WeakPolarHBondContact O-CB 3.48Å; E552-R556 VanDerWaalsContact O-CD 3.27Å; E552-R556 WeakPolarHBondContact O-CD 3.32Å; E552-R556 WeakPolarHBondContact O-CG 3.46Å; E552-R556 PolarHBondContact O-N 2.81Å; E552-R556 IonicContact OE2-CZ 3.77Å; E552-R556 IonicContact OE2-NH1 2.77Å; E552-R556 PolarHBondContact OE2-NH1 3.27Å; E552-R556 IonicContact OE2-NH2 3.09Å; E552-R556 PolarHBondContact OE2-NH2 3.32Å |
| 553 | R | 91.3 | Very high | 91.7 | Very high | 147 Ų | 147 | 85.5 Ų | 85.5 | 56% | 0.555 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -76.1 | -39.5 | -179.7 | 175.7 | -177.1 | 171.1 | -156.8 | -7 | 111.7 | L549 H550 D551 L557 | L549-R553 VanDerWaalsContact O-CB 3.29Å; L549-R553 WeakPolarHBondContact O-CB 3.37Å; L549-R553 PolarHBondContact O-N 3.23Å; H550-R553 CarbonylContact O-C 3.58Å; H550-R553 WeakPolarHBondContact O-CA 3.41Å; H550-R553 WeakPolarHBondContact O-CB 3.27Å; H550-R553 PolarHBondContact O-N 2.87Å; D551-R553 PolarHBondContact O-N 3.17Å; R553-L557 WeakPolarHBondContact O-CB 3.44Å; R553-L557 PolarHBondContact O-N 3.49Å |
| 554 | E | 91.1 | Very high | 91.9 | Very high | 107 Ų | 107 | 87.5 Ų | 87.5 | 50% | 0.5 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.9 | -43.1 | 172.2 | -71.8 | -115.6 | 85.8 | 0 | 0 | 111.2 | H550 D551 L557 R558 | H550-E554 VanDerWaalsContact CE1-CG 3.48Å; H550-E554 WeakPolarHBondContact CE1-CG 3.31Å; H550-E554 IonicContact CE1-OE2 3.7Å; H550-E554 PolarHBondContact O-N 3.05Å; D551-E554 PolarHBondContact O-N 3.18Å; E554-L557 CarbonylContact O-C 3.59Å; E554-L557 PolarHBondContact O-N 3.38Å; E554-R558 VanDerWaalsContact O-CB 3.26Å; E554-R558 WeakPolarHBondContact O-CB 3.42Å; E554-R558 PolarHBondContact O-N 3.18Å |
| 555 | E | 92.9 | Very high | 92.2 | Very high | 126 Ų | 126 | 86.4 Ų | 86.4 | 59% | 0.589 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -62.1 | -46.7 | 174.7 | -73.7 | -157.6 | 145.5 | 0 | 0 | 112 | D551 L557 R558 L559 | D551-E555 WeakPolarHBondContact O-CB 3.42Å; D551-E555 WeakPolarHBondContact O-CG 3.46Å; D551-E555 PolarHBondContact O-N 3.28Å; E555-L557 VanDerWaalsContact C-N 3.27Å; E555-L557 PolarHBondContact O-N 3.29Å; E555-R558 WeakPolarHBondContact O-CB 3.43Å; E555-R558 PolarHBondContact O-N 3.38Å; E555-R558 VanDerWaalsContact O-N 3.16Å; E555-L559 WeakPolarHBondContact O-CB 3.34Å; E555-L559 WeakPolarHBondContact O-CG 3.29Å; E555-L559 PolarHBondContact O-N 3.4Å |
| 556 | R | 93.3 | Very high | 92.4 | Very high | 153 Ų | 153 | 88.9 Ų | 88.9 | 58% | 0.577 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -57.7 | -40 | 174.2 | -74.2 | 164.5 | -175.9 | 137.6 | 7 | 111.6 | E552 L560 | E552-R556 WeakPolarHBondContact O-CB 3.48Å; E552-R556 VanDerWaalsContact O-CD 3.27Å; E552-R556 WeakPolarHBondContact O-CD 3.32Å; E552-R556 WeakPolarHBondContact O-CG 3.46Å; E552-R556 PolarHBondContact O-N 2.81Å; E552-R556 IonicContact OE2-CZ 3.77Å; E552-R556 IonicContact OE2-NH1 2.77Å; E552-R556 PolarHBondContact OE2-NH1 3.27Å; E552-R556 IonicContact OE2-NH2 3.09Å; E552-R556 PolarHBondContact OE2-NH2 3.32Å; R556-L560 VanDerWaalsContact O-CB 3.27Å; R556-L560 WeakPolarHBondContact O-CB 3.37Å; R556-L560 PolarHBondContact O-N 3.5Å |
| 557 | L | 94.1 | Very high | 92.4 | Very high | 98 Ų | 98 | 90.4 Ų | 90.4 | 51% | 0.513 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -69.9 | -39.5 | 175.6 | -179.7 | 59.6 | 0 | 0 | 0 | 112.5 | R553 E554 E555 L560 T561 | R553-L557 WeakPolarHBondContact O-CB 3.44Å; R553-L557 PolarHBondContact O-N 3.49Å; E554-L557 CarbonylContact O-C 3.59Å; E554-L557 PolarHBondContact O-N 3.38Å; E555-L557 VanDerWaalsContact C-N 3.27Å; E555-L557 PolarHBondContact O-N 3.29Å; L557-L560 PolarHBondContact O-N 2.95Å; L557-T561 VanDerWaalsContact O-CB 3.31Å; L557-T561 WeakPolarHBondContact O-CB 3.49Å; L557-T561 PolarHBondContact O-N 2.83Å; L557-T561 PolarHBondContact O-OG1 3.36Å |
| 558 | R | 94.8 | Very high | 92.2 | Very high | 195 Ų | 195 | 94.7 Ų | 94.7 | 74% | 0.736 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -64.3 | -47.9 | 176.9 | -176.6 | -177.1 | -178.7 | 118.1 | -3.9 | 111.1 | E554 E555 T561 Q562 | E554-R558 VanDerWaalsContact O-CB 3.26Å; E554-R558 WeakPolarHBondContact O-CB 3.42Å; E554-R558 PolarHBondContact O-N 3.18Å; E555-R558 WeakPolarHBondContact O-CB 3.43Å; E555-R558 PolarHBondContact O-N 3.38Å; E555-R558 VanDerWaalsContact O-N 3.16Å; R558-T561 PolarHBondContact O-N 3.44Å; R558-Q562 WeakPolarHBondContact O-CB 3.32Å; R558-Q562 PolarHBondContact O-N 2.83Å |
| 559 | L | 95.8 | Very high | 91.9 | Very high | 103 Ų | 103 | 94.3 Ų | 94.3 | 54% | 0.539 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.9 | -43.3 | 175.5 | -71 | 170.3 | 0 | 0 | 0 | 111.5 | E555 T561 Q562 N563 | E555-L559 WeakPolarHBondContact O-CB 3.34Å; E555-L559 WeakPolarHBondContact O-CG 3.29Å; E555-L559 PolarHBondContact O-N 3.4Å; L559-T561 VanDerWaalsContact C-N 3.35Å; L559-T561 PolarHBondContact O-N 2.84Å; L559-Q562 PolarHBondContact O-N 2.82Å; L559-N563 VanDerWaalsContact O-CB 3.24Å; L559-N563 WeakPolarHBondContact O-CB 3.49Å; L559-N563 PolarHBondContact O-N 2.81Å |
| 560 | L | 95.9 | Very high | 91.6 | Very high | 95 Ų | 95 | 100.1 Ų | 100.1 | 50% | 0.497 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.8 | -43.6 | 173.6 | 178.2 | 60.1 | 0 | 0 | 0 | 111.6 | R556 L557 N563 I564 | R556-L560 VanDerWaalsContact O-CB 3.27Å; R556-L560 WeakPolarHBondContact O-CB 3.37Å; R556-L560 PolarHBondContact O-N 3.5Å; L557-L560 PolarHBondContact O-N 2.95Å; L560-N563 PolarHBondContact O-N 3.28Å; L560-I564 HydrophobicContact CD1-CD1 3.96Å; L560-I564 HydrophobicContact CD1-CG1 4.26Å; L560-I564 HydrophobicContact CG-CD1 3.92Å; L560-I564 WeakPolarHBondContact O-CB 3.43Å; L560-I564 VanDerWaalsContact O-CG1 3.27Å; L560-I564 WeakPolarHBondContact O-CG1 3.41Å; L560-I564 PolarHBondContact O-N 2.94Å |
| 561 | T | 95.3 | Very high | 91.4 | Very high | 81 Ų | 81 | 103.9 Ų | 103.9 | 50% | 0.497 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.6 | -41.1 | 178.2 | -59.3 | 0 | 0 | 0 | 0 | 111.6 | L557 R558 L559 I564 S565 | L557-T561 VanDerWaalsContact O-CB 3.31Å; L557-T561 WeakPolarHBondContact O-CB 3.49Å; L557-T561 PolarHBondContact O-N 2.83Å; L557-T561 PolarHBondContact O-OG1 3.36Å; R558-T561 PolarHBondContact O-N 3.44Å; L559-T561 VanDerWaalsContact C-N 3.35Å; L559-T561 PolarHBondContact O-N 2.84Å; T561-I564 PolarHBondContact O-N 3.29Å; T561-S565 VanDerWaalsContact O-CB 3.27Å; T561-S565 WeakPolarHBondContact O-CB 3.26Å; T561-S565 PolarHBondContact O-N 2.87Å |
| 562 | Q | 95.7 | Very high | 90.8 | Very high | 126 Ų | 126 | 105.6 Ų | 105.6 | 59% | 0.589 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.9 | -40.9 | 174.8 | -169.4 | -174.7 | 28.9 | 0 | 0 | 111.8 | R558 L559 S565 S566 | R558-Q562 WeakPolarHBondContact O-CB 3.32Å; R558-Q562 PolarHBondContact O-N 2.83Å; L559-Q562 PolarHBondContact O-N 2.82Å; Q562-S565 PolarHBondContact O-N 3.42Å; Q562-S566 WeakPolarHBondContact O-CB 3.38Å; Q562-S566 PolarHBondContact O-N 2.96Å; Q562-S566 PolarHBondContact O-OG 3.04Å |
| 563 | N | 96.3 | Very high | 89.7 | Confident | 103 Ų | 103 | 111.1 Ų | 111.1 | 55% | 0.551 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -66.4 | -44.6 | 176.2 | -172 | -12.2 | 0 | 0 | 0 | 111.4 | L559 L560 S565 S566 A567 | L559-N563 VanDerWaalsContact O-CB 3.24Å; L559-N563 WeakPolarHBondContact O-CB 3.49Å; L559-N563 PolarHBondContact O-N 2.81Å; L560-N563 PolarHBondContact O-N 3.28Å; N563-S565 VanDerWaalsContact C-N 3.33Å; N563-S565 PolarHBondContact O-N 2.93Å; N563-S566 PolarHBondContact O-N 3.13Å; N563-S566 PolarHBondContact O-OG 3.35Å; N563-A567 WeakPolarHBondContact O-CB 3.35Å; N563-A567 PolarHBondContact O-N 3.03Å |
| 564 | I | 94 | Very high | 88.7 | Confident | 92 Ų | 92 | 107.5 Ų | 107.5 | 47% | 0.472 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -60.1 | -44.8 | 172.5 | -69.5 | 165.8 | 0 | 0 | 0 | 110.6 | L560 T561 A567 H568 | L560-I564 HydrophobicContact CD1-CD1 3.96Å; L560-I564 HydrophobicContact CD1-CG1 4.26Å; L560-I564 HydrophobicContact CG-CD1 3.92Å; L560-I564 WeakPolarHBondContact O-CB 3.43Å; L560-I564 VanDerWaalsContact O-CG1 3.27Å; L560-I564 WeakPolarHBondContact O-CG1 3.41Å; L560-I564 PolarHBondContact O-N 2.94Å; T561-I564 PolarHBondContact O-N 3.29Å; I564-A567 PolarHBondContact O-N 3.41Å; I564-H568 WeakPolarHBondContact O-CB 3.44Å; I564-H568 PolarHBondContact O-CD2 2.68Å; I564-H568 PolarHBondContact O-N 3.16Å |
| 565 | S | 94.3 | Very high | 87.5 | Confident | 78 Ų | 78 | 114.1 Ų | 114.1 | 55% | 0.545 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -61.3 | -50 | 178.3 | -173.5 | 0 | 0 | 0 | 0 | 111.9 | T561 Q562 N563 H568 A569 | T561-S565 VanDerWaalsContact O-CB 3.27Å; T561-S565 WeakPolarHBondContact O-CB 3.26Å; T561-S565 PolarHBondContact O-N 2.87Å; Q562-S565 PolarHBondContact O-N 3.42Å; N563-S565 VanDerWaalsContact C-N 3.33Å; N563-S565 PolarHBondContact O-N 2.93Å; S565-H568 CarbonylContact O-C 3.57Å; S565-H568 PolarHBondContact O-N 3.13Å; S565-A569 PolarHBondContact O-N 2.93Å |
| 566 | S | 90.8 | Very high | 86 | Confident | 52 Ų | 52 | 114.2 Ų | 114.2 | 36% | 0.364 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -67 | -39 | 178.9 | 72.4 | 0 | 0 | 0 | 0 | 112.1 | Q562 N563 H568 A569 N570 | Q562-S566 WeakPolarHBondContact O-CB 3.38Å; Q562-S566 PolarHBondContact O-N 2.96Å; Q562-S566 PolarHBondContact O-OG 3.04Å; N563-S566 PolarHBondContact O-N 3.13Å; N563-S566 PolarHBondContact O-OG 3.35Å; S566-H568 PolarHBondContact O-N 2.68Å; S566-A569 PolarHBondContact O-N 3.09Å; S566-N570 VanDerWaalsContact O-CB 3.23Å; S566-N570 WeakPolarHBondContact O-CB 3.45Å; S566-N570 PolarHBondContact O-N 3.19Å; S566-N570 PolarHBondContact O-ND2 2.73Å |
| 567 | A | 89.2 | Confident | 84.7 | Confident | 40 Ų | 40 | 112.8 Ų | 112.8 | 33% | 0.331 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -69.1 | -11.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | N563 I564 K571 | N563-A567 WeakPolarHBondContact O-CB 3.35Å; N563-A567 PolarHBondContact O-N 3.03Å; I564-A567 PolarHBondContact O-N 3.41Å; A567-K571 WeakPolarHBondContact O-CD 3.36Å; A567-K571 VanDerWaalsContact O-CG 3.29Å; A567-K571 WeakPolarHBondContact O-CG 3.32Å; A567-K571 PolarHBondContact O-NZ 2.83Å |
| 568 | H | 84.8 | Confident | 83.4 | Confident | 126 Ų | 126 | 117 Ų | 117 | 58% | 0.583 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -97.1 | -34 | 170.3 | -85.3 | -115.4 | 0 | 0 | 0 | 112.4 | I564 S565 S566 K571 | I564-H568 WeakPolarHBondContact O-CB 3.44Å; I564-H568 PolarHBondContact O-CD2 2.68Å; I564-H568 PolarHBondContact O-N 3.16Å; S565-H568 CarbonylContact O-C 3.57Å; S565-H568 PolarHBondContact O-N 3.13Å; S566-H568 PolarHBondContact O-N 2.68Å; H568-K571 PolarHBondContact CD2-NZ 3.27Å; H568-K571 VanDerWaalsContact CD2-NZ 3.27Å; H568-K571 PolarHBondContact NE2-NZ 3.17Å; H568-K571 VanDerWaalsContact NE2-NZ 3.17Å |
| 569 | A | 86.2 | Confident | 81.3 | Confident | 77 Ų | 77 | 115.1 Ų | 115.1 | 64% | 0.636 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -68.8 | -43.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S565 S566 K571 | S565-A569 PolarHBondContact O-N 2.93Å; S566-A569 PolarHBondContact O-N 3.09Å; A569-K571 VanDerWaalsContact C-N 3.29Å; A569-K571 PolarHBondContact O-N 3.1Å |
| 570 | N | 80.8 | Confident | 79.2 | Confident | 129 Ų | 129 | 115 Ų | 115 | 69% | 0.69 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -78.9 | -5.5 | -179.4 | -67.7 | -30.6 | 0 | 0 | 0 | 113.7 | S566 P572 | S566-N570 VanDerWaalsContact O-CB 3.23Å; S566-N570 WeakPolarHBondContact O-CB 3.45Å; S566-N570 PolarHBondContact O-N 3.19Å; S566-N570 PolarHBondContact O-ND2 2.73Å; N570-P572 VanDerWaalsContact O-CD 3.32Å; N570-P572 WeakPolarHBondContact O-CD 3.31Å |
| 571 | K | 82.7 | Confident | 77.5 | Confident | 113 Ų | 113 | 116.5 Ų | 116.5 | 49% | 0.491 | 63% | 0.631 | S | S | . | * | S | Bend | trans | -65.2 | 116.2 | 173.4 | -95.5 | 172.9 | -172.1 | 96.7 | 0 | 108.8 | A567 H568 A569 K573 | A567-K571 WeakPolarHBondContact O-CD 3.36Å; A567-K571 VanDerWaalsContact O-CG 3.29Å; A567-K571 WeakPolarHBondContact O-CG 3.32Å; A567-K571 PolarHBondContact O-NZ 2.83Å; H568-K571 PolarHBondContact CD2-NZ 3.27Å; H568-K571 VanDerWaalsContact CD2-NZ 3.27Å; H568-K571 PolarHBondContact NE2-NZ 3.17Å; H568-K571 VanDerWaalsContact NE2-NZ 3.17Å; A569-K571 VanDerWaalsContact C-N 3.29Å; A569-K571 PolarHBondContact O-N 3.1Å; K571-K573 PolarHBondContact O-N 2.83Å; K571-K573 VanDerWaalsContact O-N 3.15Å |
| 572 | P | 76.3 | Confident | 75.8 | Confident | 121 Ų | 121 | 118.7 Ų | 118.7 | 79% | 0.786 | 64% | 0.644 | S | S | * | * | trans | -61.2 | 123.2 | -175.6 | 24 | -33.5 | 0 | 0 | 0 | 109.8 | N570 G574 | N570-P572 VanDerWaalsContact O-CD 3.32Å; N570-P572 WeakPolarHBondContact O-CD 3.31Å; P572-G574 WeakPolarHBondContact O-CA 3.42Å; P572-G574 PolarHBondContact O-N 3.17Å | ||
| 573 | K | 69.3 | Low | 74.1 | Confident | 171 Ų | 171 | 120.5 Ų | 120.5 | 74% | 0.743 | 66% | 0.658 | S | S | * | * | trans | -51.1 | 100.3 | -172.7 | -68.2 | 177.6 | -179.5 | 175.4 | 0 | 110.6 | K571 R575 Q576 | K571-K573 PolarHBondContact O-N 2.83Å; K571-K573 VanDerWaalsContact O-N 3.15Å; K573-R575 PolarHBondContact O-N 2.98Å; K573-Q576 HydrophobicContact CB-CG 4.35Å | ||
| 574 | G | 68.6 | Low | 72.3 | Confident | 72 Ų | 72 | 118.1 Ų | 118.1 | 74% | 0.742 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.9 | 115.9 | -157.1 | 0 | 0 | 0 | 0 | 0 | 114 | P572 Q576 | P572-G574 WeakPolarHBondContact O-CA 3.42Å; P572-G574 PolarHBondContact O-N 3.17Å; G574-Q576 VanDerWaalsContact C-N 3.33Å; G574-Q576 PolarHBondContact O-N 3.25Å; G574-Q576 VanDerWaalsContact O-N 3.1Å |
| 575 | R | 66 | Low | 70.9 | Confident | 246 Ų | 246 | 120.4 Ų | 120.4 | 93% | 0.928 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 27.5 | 63.5 | 177.4 | -156.9 | -177.7 | -159.6 | -149.2 | 5 | 113.7 | K573 V577 | K573-R575 PolarHBondContact O-N 2.98Å; R575-V577 PolarHBondContact O-N 3.06Å; R575-V577 VanDerWaalsContact O-N 3.09Å |
| 576 | Q | 62.7 | Low | 69.5 | Low | 127 Ų | 127 | 120.3 Ų | 120.3 | 59% | 0.593 | 67% | 0.671 | S | S | * | * | trans | -48.5 | 120.2 | 174.2 | -65.2 | -177.9 | 12.1 | 0 | 0 | 110 | K573 G574 K578 | K573-Q576 HydrophobicContact CB-CG 4.35Å; G574-Q576 VanDerWaalsContact C-N 3.33Å; G574-Q576 PolarHBondContact O-N 3.25Å; G574-Q576 VanDerWaalsContact O-N 3.1Å; Q576-K578 VanDerWaalsContact C-N 3.28Å; Q576-K578 PolarHBondContact O-N 3.49Å | ||
| 577 | V | 65.7 | Low | 68.5 | Low | 124 Ų | 124 | 126.5 Ų | 126.5 | 75% | 0.752 | 69% | 0.691 | S | S | * | * | trans | -72.6 | 90.3 | 174 | 179.7 | 0 | 0 | 0 | 0 | 107.1 | R575 M579 | R575-V577 PolarHBondContact O-N 3.06Å; R575-V577 VanDerWaalsContact O-N 3.09Å; V577-M579 HydrophobicContact CG1-SD 4.14Å; V577-M579 PolarHBondContact O-N 2.87Å | ||
| 578 | K | 65.6 | Low | 67.4 | Low | 185 Ų | 185 | 127.3 Ų | 127.3 | 80% | 0.804 | 69% | 0.693 | S | S | * | * | trans | -61.6 | 101.4 | 169.9 | -71.5 | -173.1 | -179.6 | -171.6 | 0 | 107.7 | Q576 A580 | Q576-K578 VanDerWaalsContact C-N 3.28Å; Q576-K578 PolarHBondContact O-N 3.49Å; K578-A580 VanDerWaalsContact C-N 3.29Å; K578-A580 PolarHBondContact O-N 3.35Å | ||
| 579 | M | 52.6 | Low | 67 | Low | 157 Ų | 157 | 125.7 Ų | 125.7 | 77% | 0.773 | 69% | 0.694 | S | S | * | * | trans | -68.7 | 89.9 | 173.1 | -69.8 | -64.9 | -69 | 0 | 0 | 108.3 | V577 F581 | V577-M579 HydrophobicContact CG1-SD 4.14Å; V577-M579 PolarHBondContact O-N 2.87Å; M579-F581 PolarHBondContact O-N 3.02Å | ||
| 580 | A | 51.8 | Low | 66.3 | Low | 99 Ų | 99 | 132 Ų | 132 | 82% | 0.818 | 70% | 0.701 | S | S | * | * | trans | -71.8 | 79.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | K578 | K578-A580 VanDerWaalsContact C-N 3.29Å; K578-A580 PolarHBondContact O-N 3.35Å | ||
| 581 | F | 59.7 | Low | 66 | Low | 128 Ų | 128 | 129.8 Ų | 129.8 | 56% | 0.561 | 69% | 0.689 | S | S | * | * | trans | -120.2 | 67.4 | 173.8 | -156 | -89.3 | 0 | 0 | 0 | 109.9 | M579 S584 | M579-F581 PolarHBondContact O-N 3.02Å; F581-S584 WeakPolarHBondContact CE2-O 3.39Å; F581-S584 WeakPolarHBondContact CE2-OG 3.28Å; F581-S584 WeakPolarHBondContact CZ-O 3.47Å | ||
| 582 | V | 58.8 | Low | 65.7 | Low | 126 Ų | 126 | 127.2 Ų | 127.2 | 76% | 0.764 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -124.5 | 110.2 | 168.4 | -176 | 0 | 0 | 0 | 0 | 105.1 | ||
| 583 | N | 60.5 | Low | 65.7 | Low | 165 Ų | 165 | 128 Ų | 128 | 88% | 0.882 | 67% | 0.67 | S | S | * | * | S | Bend | trans | 68.1 | 49.7 | 176.6 | -51.1 | -4.5 | 0 | 0 | 0 | 116.5 | ||
| 584 | S | 58.8 | Low | 66.1 | Low | 53 Ų | 53 | 126.1 Ų | 126.1 | 37% | 0.371 | 66% | 0.659 | S | S | . | * | trans | -127.5 | 122.7 | 153.1 | 76.2 | 0 | 0 | 0 | 0 | 110.4 | F581 A586 | F581-S584 WeakPolarHBondContact CE2-O 3.39Å; F581-S584 WeakPolarHBondContact CE2-OG 3.28Å; F581-S584 WeakPolarHBondContact CZ-O 3.47Å; S584-A586 PolarHBondContact O-N 2.75Å | ||
| 585 | V | 64.6 | Low | 66.6 | Low | 140 Ų | 140 | 130.4 Ų | 130.4 | 85% | 0.848 | 65% | 0.652 | S | S | * | * | trans | -54.2 | 138.7 | 171.6 | 178.1 | 0 | 0 | 0 | 0 | 109.2 | K587 | V585-K587 PolarHBondContact O-N 3.33Š| ||
| 586 | A | 63.6 | Low | 67.3 | Low | 76 Ų | 76 | 121.8 Ų | 121.8 | 63% | 0.628 | 62% | 0.622 | S | S | * | * | trans | -56.5 | 107.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | S584 | S584-A586 PolarHBondContact O-N 2.75Š| ||
| 587 | K | 70 | Confident | 68 | Low | 181 Ų | 181 | 120.5 Ų | 120.5 | 79% | 0.787 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 123 | -178.5 | -69.8 | 179.9 | -179.5 | 176.2 | 0 | 108.8 | V585 | V585-K587 PolarHBondContact O-N 3.33Š|
| 588 | P | 67.5 | Low | 68.5 | Low | 58 Ų | 58 | 122.7 Ų | 122.7 | 38% | 0.377 | 62% | 0.616 | S | S | . | * | P | Polyproline II helix | trans | -60.5 | 149.6 | -178.9 | 24.2 | -33.4 | 0 | 0 | 0 | 110.4 | V592 | P588-V592 HydrophobicContact CB-CB 4.11Å; P588-V592 HydrophobicContact CB-CG1 3.88Å |
| 589 | P | 75.8 | Confident | 68.9 | Low | 91 Ų | 91 | 120.7 Ų | 120.7 | 59% | 0.591 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 150 | -176.8 | -29.3 | 35.6 | 0 | 0 | 0 | 113.1 | D591 V592 R593 | P589-D591 PolarHBondContact O-N 3.15Å; P589-V592 HydrophobicContact CB-CG2 4.26Å; P589-V592 HydrophobicContact CG-CG2 4.39Å; P589-V592 WeakPolarHBondContact O-CA 3.29Å; P589-V592 WeakPolarHBondContact O-CB 3.12Å; P589-V592 PolarHBondContact O-N 3.16Å; P589-R593 PolarHBondContact O-N 3.28Å |
| 590 | R | 71.9 | Confident | 69.7 | Low | 209 Ų | 209 | 115.9 Ų | 115.9 | 79% | 0.789 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -54.7 | -31.9 | -170.1 | -168.6 | 173.9 | -177.1 | 157.8 | 0.2 | 113.7 | R594 | R590-R594 WeakPolarHBondContact O-CB 3.27Å; R590-R594 PolarHBondContact O-N 2.86Å |
| 591 | D | 73.8 | Confident | 70.4 | Confident | 83 Ų | 83 | 115.7 Ų | 115.7 | 44% | 0.444 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -76.2 | -32.9 | 175.3 | -60.2 | -78.9 | 0 | 0 | 0 | 113.7 | P589 R594 R595 | P589-D591 PolarHBondContact O-N 3.15Å; D591-R594 IonicContact OD1-CZ 3.93Å; D591-R594 IonicContact OD1-NH1 2.99Å; D591-R594 PolarHBondContact OD1-NH1 2.84Å; D591-R594 IonicContact OD1-NH2 2.79Å; D591-R594 PolarHBondContact OD1-NH2 2.76Å; D591-R595 WeakPolarHBondContact O-CB 3.38Å; D591-R595 VanDerWaalsContact O-CG 3.23Å; D591-R595 WeakPolarHBondContact O-CG 3.32Å; D591-R595 PolarHBondContact O-N 2.83Å |
| 592 | V | 76 | Confident | 70.4 | Confident | 60 Ų | 60 | 113.9 Ų | 113.9 | 36% | 0.364 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -67.7 | -46 | 171 | -179.3 | 0 | 0 | 0 | 0 | 109.5 | P588 P589 R594 R595 Q596 | P588-V592 HydrophobicContact CB-CB 4.11Å; P588-V592 HydrophobicContact CB-CG1 3.88Å; P589-V592 HydrophobicContact CB-CG2 4.26Å; P589-V592 HydrophobicContact CG-CG2 4.39Å; P589-V592 WeakPolarHBondContact O-CA 3.29Å; P589-V592 WeakPolarHBondContact O-CB 3.12Å; P589-V592 PolarHBondContact O-N 3.16Å; V592-R594 PolarHBondContact O-N 2.69Å; V592-R595 WeakPolarHBondContact O-CB 3.27Å; V592-R595 PolarHBondContact O-N 2.84Å; V592-R595 VanDerWaalsContact O-N 3.1Å; V592-Q596 WeakPolarHBondContact O-CG 3.23Å; V592-Q596 PolarHBondContact O-N 2.92Å |
| 593 | R | 77.1 | Confident | 70 | Confident | 136 Ų | 136 | 113 Ų | 113 | 51% | 0.513 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -58.9 | -46.4 | 175.4 | -154.9 | -163.3 | 81 | 168.9 | 11.7 | 111.7 | P589 R595 Q596 E597 | P589-R593 PolarHBondContact O-N 3.28Å; R593-R595 VanDerWaalsContact C-N 3.26Å; R593-R595 PolarHBondContact O-N 3.28Å; R593-Q596 PolarHBondContact O-N 2.97Å; R593-E597 IonicContact CZ-OE1 3.45Å; R593-E597 IonicContact NE-OE1 2.76Å; R593-E597 PolarHBondContact NE-OE1 3.08Å; R593-E597 IonicContact NE-OE2 2.69Å; R593-E597 IonicContact NH2-OE1 3.74Å; R593-E597 PolarHBondContact NH2-OE1 3.4Å; R593-E597 IonicContact NH2-OE2 3.12Å; R593-E597 WeakPolarHBondContact O-CB 3.27Å; R593-E597 VanDerWaalsContact O-CG 3.25Å; R593-E597 WeakPolarHBondContact O-CG 3.48Å; R593-E597 PolarHBondContact O-N 3.3Å |
| 594 | R | 77.8 | Confident | 69.4 | Low | 133 Ų | 133 | 110.2 Ų | 110.2 | 50% | 0.502 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -63.2 | -29.4 | 176 | -170 | 174.9 | 71.9 | -97.3 | 3 | 113.1 | R590 D591 V592 E597 K598 | R590-R594 WeakPolarHBondContact O-CB 3.27Å; R590-R594 PolarHBondContact O-N 2.86Å; D591-R594 IonicContact OD1-CZ 3.93Å; D591-R594 IonicContact OD1-NH1 2.99Å; D591-R594 PolarHBondContact OD1-NH1 2.84Å; D591-R594 IonicContact OD1-NH2 2.79Å; D591-R594 PolarHBondContact OD1-NH2 2.76Å; V592-R594 PolarHBondContact O-N 2.69Å; R594-E597 WeakPolarHBondContact CA-OE2 3.24Å; R594-K598 VanDerWaalsContact O-CB 3.32Å; R594-K598 WeakPolarHBondContact O-CB 3.13Å; R594-K598 PolarHBondContact O-N 3.45Å; R594-K598 VanDerWaalsContact O-N 3.13Å |
| 595 | R | 79.1 | Confident | 68.7 | Low | 162 Ų | 162 | 112.3 Ų | 112.3 | 61% | 0.611 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -74.8 | -44.2 | 172.8 | -75.5 | 170.7 | -177.9 | 178.2 | 1 | 111.5 | D591 V592 R593 E597 K598 F599 | D591-R595 WeakPolarHBondContact O-CB 3.38Å; D591-R595 VanDerWaalsContact O-CG 3.23Å; D591-R595 WeakPolarHBondContact O-CG 3.32Å; D591-R595 PolarHBondContact O-N 2.83Å; V592-R595 WeakPolarHBondContact O-CB 3.27Å; V592-R595 PolarHBondContact O-N 2.84Å; V592-R595 VanDerWaalsContact O-N 3.1Å; R593-R595 VanDerWaalsContact C-N 3.26Å; R593-R595 PolarHBondContact O-N 3.28Å; R595-E597 VanDerWaalsContact C-N 3.33Å; R595-E597 PolarHBondContact O-N 3.48Å; R595-K598 CarbonylContact O-C 3.59Å; R595-K598 PolarHBondContact O-N 3.16Å; R595-K598 VanDerWaalsContact O-N 3.08Å; R595-F599 HydrophobicContact CB-CD2 4.14Å; R595-F599 HydrophobicContact CB-CE2 4.3Å; R595-F599 HydrophobicContact CG-CE2 4.34Å; R595-F599 WeakPolarHBondContact O-CB 3.44Å; R595-F599 WeakPolarHBondContact O-CD2 3.43Å; R595-F599 PolarHBondContact O-N 2.94Å |
| 596 | Q | 80.6 | Confident | 67.4 | Low | 64 Ų | 64 | 111.7 Ų | 111.7 | 30% | 0.299 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -59.6 | -43.6 | 174.6 | -70.6 | 169.4 | -44.8 | 0 | 0 | 111.4 | V592 R593 K598 F599 G600 T601 | V592-Q596 WeakPolarHBondContact O-CG 3.23Å; V592-Q596 PolarHBondContact O-N 2.92Å; R593-Q596 PolarHBondContact O-N 2.97Å; Q596-K598 VanDerWaalsContact C-N 3.33Å; Q596-K598 PolarHBondContact O-N 3.07Å; Q596-F599 PolarHBondContact O-N 3.13Å; Q596-G600 PolarHBondContact O-N 2.89Å; Q596-T601 PolarHBondContact O-N 3.32Å |
| 597 | E | 76.4 | Confident | 66.3 | Low | 101 Ų | 101 | 114 Ų | 114 | 47% | 0.472 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -58.9 | -39.3 | 171.6 | -72 | 163.5 | 175.8 | 0 | 0 | 112.7 | R593 R594 R595 | R593-E597 IonicContact CZ-OE1 3.45Å; R593-E597 IonicContact NE-OE1 2.76Å; R593-E597 PolarHBondContact NE-OE1 3.08Å; R593-E597 IonicContact NE-OE2 2.69Å; R593-E597 IonicContact NH2-OE1 3.74Å; R593-E597 PolarHBondContact NH2-OE1 3.4Å; R593-E597 IonicContact NH2-OE2 3.12Å; R593-E597 WeakPolarHBondContact O-CB 3.27Å; R593-E597 VanDerWaalsContact O-CG 3.25Å; R593-E597 WeakPolarHBondContact O-CG 3.48Å; R593-E597 PolarHBondContact O-N 3.3Å; R594-E597 WeakPolarHBondContact CA-OE2 3.24Å; R595-E597 VanDerWaalsContact C-N 3.33Å; R595-E597 PolarHBondContact O-N 3.48Å |
| 598 | K | 76.1 | Confident | 64.7 | Low | 169 Ų | 169 | 109.4 Ų | 109.4 | 74% | 0.735 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -78.4 | -28.6 | -179.9 | -175 | 173.9 | 179.8 | -176.8 | 0 | 113.9 | R594 R595 Q596 | R594-K598 VanDerWaalsContact O-CB 3.32Å; R594-K598 WeakPolarHBondContact O-CB 3.13Å; R594-K598 PolarHBondContact O-N 3.45Å; R594-K598 VanDerWaalsContact O-N 3.13Å; R595-K598 CarbonylContact O-C 3.59Å; R595-K598 PolarHBondContact O-N 3.16Å; R595-K598 VanDerWaalsContact O-N 3.08Å; Q596-K598 VanDerWaalsContact C-N 3.33Å; Q596-K598 PolarHBondContact O-N 3.07Å |
| 599 | F | 73.9 | Confident | 63.5 | Low | 144 Ų | 144 | 112.4 Ų | 112.4 | 63% | 0.632 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -107.4 | 6.2 | -175.6 | -64.5 | -62 | 0 | 0 | 0 | 113.6 | R595 Q596 T601 | R595-F599 HydrophobicContact CB-CD2 4.14Å; R595-F599 HydrophobicContact CB-CE2 4.3Å; R595-F599 HydrophobicContact CG-CE2 4.34Å; R595-F599 WeakPolarHBondContact O-CB 3.44Å; R595-F599 WeakPolarHBondContact O-CD2 3.43Å; R595-F599 PolarHBondContact O-N 2.94Å; Q596-F599 PolarHBondContact O-N 3.13Å; F599-T601 PolarHBondContact O-N 2.94Å; F599-T601 VanDerWaalsContact O-N 3.14Å |
| 600 | G | 70.1 | Confident | 61.8 | Low | 56 Ų | 56 | 115.3 Ų | 115.3 | 58% | 0.577 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 71.7 | 1.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q596 S602 | Q596-G600 PolarHBondContact O-N 2.89Å; G600-S602 PolarHBondContact O-N 3.41Å |
| 601 | T | 65.8 | Low | 60.2 | Low | 95 Ų | 95 | 109.9 Ų | 109.9 | 58% | 0.583 | 65% | 0.645 | S | S | * | * | trans | -78.7 | 41 | -174.9 | 56.4 | 0 | 0 | 0 | 0 | 113.6 | Q596 F599 | Q596-T601 PolarHBondContact O-N 3.32Å; F599-T601 PolarHBondContact O-N 2.94Å; F599-T601 VanDerWaalsContact O-N 3.14Å | ||
| 602 | S | 60.9 | Low | 58.4 | Low | 90 Ų | 90 | 111 Ų | 111 | 63% | 0.629 | 67% | 0.666 | S | S | * | * | trans | -126.6 | 60.5 | -178.5 | 65.3 | 0 | 0 | 0 | 0 | 112.1 | G600 | G600-S602 PolarHBondContact O-N 3.41Š| ||
| 603 | S | 50.2 | Low | 56.5 | Low | 108 Ų | 108 | 113 Ų | 113 | 76% | 0.755 | 69% | 0.688 | S | S | * | * | trans | -138.1 | 148.4 | 170.7 | 55.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 604 | S | 46.8 | Very low | 54.7 | Low | 105 Ų | 105 | 111.4 Ų | 111.4 | 73% | 0.734 | 70% | 0.699 | S | S | * | * | cis | -147.4 | -174.2 | 12.9 | 58 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 605 | S | 44.7 | Very low | 53.1 | Low | 97 Ų | 97 | 111.2 Ų | 111.2 | 68% | 0.678 | 72% | 0.715 | S | S | * | * | trans | 60.1 | 89.8 | 154 | 49.8 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 606 | S | 37.5 | Very low | 51 | Low | 128 Ų | 128 | 110.7 Ų | 110.7 | 90% | 0.895 | 72% | 0.722 | S | S | * | * | trans | -154.9 | 51.9 | 150.1 | -72.9 | 0 | 0 | 0 | 0 | 110.4 | A608 | S606-A608 PolarHBondContact O-N 2.96Š| ||
| 607 | S | 40.9 | Very low | 49 | Very low | 124 Ų | 124 | 117.2 Ų | 117.2 | 87% | 0.867 | 75% | 0.75 | S | S | * | * | trans | -86.9 | 89.8 | 178.8 | 50.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 608 | A | 35.8 | Very low | 47.1 | Very low | 84 Ų | 84 | 119.7 Ų | 119.7 | 69% | 0.694 | 76% | 0.764 | S | S | * | * | trans | -139.8 | 106.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | S606 | S606-A608 PolarHBondContact O-N 2.96Š| ||
| 609 | S | 41.6 | Very low | 45.1 | Very low | 121 Ų | 121 | 122 Ų | 122 | 85% | 0.846 | 77% | 0.769 | S | S | * | * | trans | 22.9 | 108.9 | 149.8 | -51.4 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 610 | T | 39.9 | Very low | 43.3 | Very low | 153 Ų | 153 | 121 Ų | 121 | 94% | 0.939 | 78% | 0.776 | S | S | * | * | trans | -159.7 | 60.7 | 146.7 | 6.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 611 | A | 38 | Very low | 41.4 | Very low | 95 Ų | 95 | 122.4 Ų | 122.4 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | trans | -103.3 | 150.9 | 161.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 612 | A | 36.4 | Very low | 39.7 | Very low | 107 Ų | 107 | 123.7 Ų | 123.7 | 88% | 0.884 | 80% | 0.796 | S | S | * | * | trans | 62.2 | 99.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 613 | A | 37 | Very low | 38.3 | Very low | 100 Ų | 100 | 124.2 Ų | 124.2 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | trans | -150.9 | 82.8 | 158.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 614 | S | 39.5 | Very low | 37.3 | Very low | 104 Ų | 104 | 126.9 Ų | 126.9 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | -63.9 | 134.9 | 173.2 | -50.7 | 0 | 0 | 0 | 0 | 110 | I616 | S614-I616 PolarHBondContact O-N 3.12Š| ||
| 615 | P | 42.8 | Very low | 36.5 | Very low | 129 Ų | 129 | 131.6 Ų | 131.6 | 84% | 0.838 | 81% | 0.813 | S | S | * | * | trans | -70.2 | 99.7 | 178.8 | 27.5 | -33.5 | 0 | 0 | 0 | 110.7 | K617 | P615-K617 PolarHBondContact O-N 3.41Å; P615-K617 VanDerWaalsContact O-N 3.07Å | ||
| 616 | I | 37 | Very low | 35.9 | Very low | 151 Ų | 151 | 131.9 Ų | 131.9 | 77% | 0.774 | 82% | 0.821 | S | S | * | * | trans | -62.7 | 109.5 | 176.3 | -62.7 | 175.6 | 0 | 0 | 0 | 108.9 | S614 I618 | S614-I616 PolarHBondContact O-N 3.12Å; I616-I618 HydrophobicContact CG2-CG1 4.16Å; I616-I618 PolarHBondContact O-N 3.48Å; I616-I618 VanDerWaalsContact O-N 3.13Å | ||
| 617 | K | 37.3 | Very low | 35.6 | Very low | 201 Ų | 201 | 129.6 Ų | 129.6 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | trans | -87.3 | 80.7 | -177.2 | -163.4 | 174.3 | -174.5 | 179.8 | 0 | 109.9 | P615 R619 | P615-K617 PolarHBondContact O-N 3.41Å; P615-K617 VanDerWaalsContact O-N 3.07Å; K617-R619 PolarHBondContact O-N 2.88Å | ||
| 618 | I | 37.3 | Very low | 35.1 | Very low | 152 Ų | 152 | 130.7 Ų | 130.7 | 78% | 0.779 | 81% | 0.814 | S | S | * | * | trans | -56.2 | 121.6 | -179.3 | -58.6 | 177.3 | 0 | 0 | 0 | 109.8 | I616 | I616-I618 HydrophobicContact CG2-CG1 4.16Å; I616-I618 PolarHBondContact O-N 3.48Å; I616-I618 VanDerWaalsContact O-N 3.13Å | ||
| 619 | R | 34.1 | Very low | 34.9 | Very low | 218 Ų | 218 | 130.9 Ų | 130.9 | 82% | 0.823 | 81% | 0.81 | S | S | * | * | trans | -118.9 | 116 | 175.3 | 175.7 | -179.1 | -179.3 | 173.4 | 1.4 | 108.1 | K617 | K617-R619 PolarHBondContact O-N 2.88Š| ||
| 620 | P | 34.8 | Very low | 34.5 | Very low | 122 Ų | 122 | 129.6 Ų | 129.6 | 79% | 0.792 | 80% | 0.801 | S | S | * | * | trans | -69.6 | 141.7 | 165.2 | 30.5 | -32.8 | 0 | 0 | 0 | 109.4 | ||||
| 621 | A | 30.4 | Very low | 34.2 | Very low | 86 Ų | 86 | 132.8 Ų | 132.8 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | trans | -152.5 | 90.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 622 | S | 30.8 | Very low | 34 | Very low | 123 Ų | 123 | 133.3 Ų | 133.3 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | trans | -172.1 | 138.2 | 157.6 | 52.8 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 623 | S | 32.2 | Very low | 33.8 | Very low | 100 Ų | 100 | 133.9 Ų | 133.9 | 70% | 0.699 | 79% | 0.791 | S | S | * | * | cis | -148.3 | 160.5 | -4.1 | 50 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 624 | D | 29.1 | Very low | 33.5 | Very low | 165 Ų | 165 | 134.6 Ų | 134.6 | 88% | 0.882 | 79% | 0.79 | S | S | * | * | trans | -174.2 | 166.9 | 133.4 | -91 | -16.9 | 0 | 0 | 0 | 110.7 | ||||
| 625 | F | 30.2 | Very low | 33.3 | Very low | 203 Ų | 203 | 134.3 Ų | 134.3 | 89% | 0.89 | 79% | 0.788 | S | S | * | * | trans | -107.3 | 151.3 | -158.9 | -122 | -102.3 | 0 | 0 | 0 | 113.9 | ||||
| 626 | A | 31.9 | Very low | 32.7 | Very low | 103 Ų | 103 | 137 Ų | 137 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | trans | 60.7 | 146.8 | 160.2 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 627 | G | 29.9 | Very low | 32.5 | Very low | 81 Ų | 81 | 138.7 Ų | 138.7 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | trans | 158.5 | 69.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 628 | D | 30.3 | Very low | 32.3 | Very low | 147 Ų | 147 | 134.2 Ų | 134.2 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | trans | -42.9 | 156.6 | -176.9 | -179.6 | 38.3 | 0 | 0 | 0 | 118.8 | ||||
| 629 | S | 32 | Very low | 32.1 | Very low | 88 Ų | 88 | 132.5 Ų | 132.5 | 62% | 0.615 | 79% | 0.787 | S | S | * | * | trans | 55.5 | 134.3 | 153.3 | -83.4 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 630 | S | 34.2 | Very low | 32.9 | Very low | 93 Ų | 93 | 127.8 Ų | 127.8 | 65% | 0.65 | 79% | 0.785 | S | S | * | * | cis | -178.4 | 160.4 | 32.1 | -128.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 631 | R | 34.1 | Very low | 32.7 | Very low | 221 Ų | 221 | 127 Ų | 127 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | trans | 71 | 109.1 | 149 | -68.2 | 172.3 | -178.9 | -159.8 | -4.2 | 121.9 | ||||
| 632 | S | 32.1 | Very low | 32.7 | Very low | 105 Ų | 105 | 126.6 Ų | 126.6 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | 66.5 | 99.1 | 121.9 | -56.8 | 0 | 0 | 0 | 0 | 119 | |||||
| 633 | S | 32.1 | Very low | 32.7 | Very low | 119 Ų | 119 | 125.4 Ų | 125.4 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | 93.4 | 107.8 | 61.2 | 67.3 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 634 | S | 31.1 | Very low | 32.7 | Very low | 116 Ų | 116 | 125.5 Ų | 125.5 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | trans | -119.6 | 140.9 | 164.1 | 55.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 635 | S | 35 | Very low | 32.9 | Very low | 97 Ų | 97 | 128.3 Ų | 128.3 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | trans | 174.6 | 114.4 | 153.7 | 51.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 636 | H | 31.4 | Very low | 32.9 | Very low | 186 Ų | 186 | 123.8 Ų | 123.8 | 86% | 0.861 | 78% | 0.777 | S | S | * | * | trans | -177 | 150.3 | 133.2 | 44.4 | -96.3 | 0 | 0 | 0 | 109.6 | ||||
| 637 | F | 33.4 | Very low | 32.9 | Very low | 186 Ų | 186 | 124.8 Ų | 124.8 | 82% | 0.816 | 78% | 0.777 | S | S | * | * | cis | 177.6 | 163.9 | -39.8 | -125.3 | -73.9 | 0 | 0 | 0 | 104.6 | ||||
| 638 | S | 32.3 | Very low | 33.1 | Very low | 108 Ų | 108 | 125.2 Ų | 125.2 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | trans | 77.9 | 118.2 | 160.9 | -53.4 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 639 | S | 32.7 | Very low | 34.1 | Very low | 115 Ų | 115 | 123.5 Ų | 123.5 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | -89.7 | -166.8 | 149.3 | -35.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 640 | P | 50.3 | Low | 34.8 | Very low | 120 Ų | 120 | 125.6 Ų | 125.6 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | cis | -153.4 | -175.5 | 37 | 45 | -22.6 | 0 | 0 | 0 | 119.3 | ||||
| 641 | A | 31.3 | Very low | 34.7 | Very low | 105 Ų | 105 | 125 Ų | 125 | 87% | 0.868 | 79% | 0.789 | S | S | * | * | trans | 77.2 | 150.4 | 144.8 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 642 | G | 30.3 | Very low | 34.6 | Very low | 77 Ų | 77 | 118.6 Ų | 118.6 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | trans | 118.9 | 118.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 643 | S | 31.4 | Very low | 34.4 | Very low | 99 Ų | 99 | 117.5 Ų | 117.5 | 69% | 0.692 | 80% | 0.798 | S | S | * | * | cis | 174.1 | 103.2 | -38.9 | -179.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 644 | S | 31.6 | Very low | 34.4 | Very low | 101 Ų | 101 | 116.1 Ų | 116.1 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | trans | 74.7 | 164.2 | 152.9 | -48.7 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 645 | R | 33 | Very low | 34.4 | Very low | 225 Ų | 225 | 113.9 Ų | 113.9 | 85% | 0.849 | 80% | 0.797 | S | S | * | * | trans | 78.3 | 119.6 | 162.8 | -48.8 | 168.2 | -138.9 | -128.1 | -0.3 | 114.8 | ||||
| 646 | S | 30.9 | Very low | 34.3 | Very low | 108 Ų | 108 | 115.7 Ų | 115.7 | 76% | 0.755 | 80% | 0.804 | S | S | * | * | cis | 97.2 | 114.3 | 17.9 | -53.8 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 647 | S | 32.1 | Very low | 34.5 | Very low | 124 Ų | 124 | 112.7 Ų | 112.7 | 87% | 0.867 | 80% | 0.799 | S | S | * | * | trans | 61.3 | 148.5 | 158.5 | 34.6 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 648 | A | 33.8 | Very low | 34.5 | Very low | 89 Ų | 89 | 111.3 Ų | 111.3 | 74% | 0.736 | 80% | 0.8 | S | S | * | * | cis | -159.1 | -176.3 | -8.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 649 | P | 52 | Low | 34.9 | Very low | 112 Ų | 112 | 112 Ų | 112 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | trans | -83.2 | 155.5 | -169.4 | 36.3 | -35.5 | 0 | 0 | 0 | 113.8 | ||||
| 650 | P | 46.4 | Very low | 35 | Very low | 132 Ų | 132 | 109.9 Ų | 109.9 | 86% | 0.857 | 80% | 0.798 | S | S | * | * | -91 | -172.6 | 80.8 | -25.3 | 38.7 | 0 | 0 | 0 | 115.6 | |||||
| 651 | G | 31.9 | Very low | 35 | Very low | 79 Ų | 79 | 115.4 Ų | 115.4 | 81% | 0.814 | 80% | 0.804 | S | S | * | * | cis | -174 | -147.2 | 11.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 652 | G | 30.8 | Very low | 35.4 | Very low | 87 Ų | 87 | 119.2 Ų | 119.2 | 90% | 0.897 | 80% | 0.804 | S | S | * | * | trans | -151.4 | 166.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 653 | G | 29.6 | Very low | 36.4 | Very low | 83 Ų | 83 | 124.4 Ų | 124.4 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | trans | 135.1 | 116.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 654 | G | 31.4 | Very low | 37.2 | Very low | 89 Ų | 89 | 125.1 Ų | 125.1 | 92% | 0.918 | 81% | 0.807 | S | S | * | * | trans | -87.4 | 165.4 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 655 | G | 30.9 | Very low | 38.1 | Very low | 69 Ų | 69 | 129.1 Ų | 129.1 | 71% | 0.711 | 81% | 0.814 | S | S | * | * | trans | 178.5 | 36 | -176.3 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 656 | T | 32.6 | Very low | 38.9 | Very low | 135 Ų | 135 | 124.9 Ų | 124.9 | 83% | 0.828 | 81% | 0.813 | S | S | * | * | trans | 66.8 | 161.3 | 158.8 | 66.3 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 657 | V | 35 | Very low | 40.7 | Very low | 124 Ų | 124 | 128.1 Ų | 128.1 | 75% | 0.752 | 81% | 0.814 | S | S | * | * | trans | 52.9 | 88.5 | 161.1 | -65.7 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 658 | N | 34.9 | Very low | 42.6 | Very low | 156 Ų | 156 | 132.5 Ų | 132.5 | 83% | 0.834 | 82% | 0.817 | S | S | * | * | -171.1 | 136.6 | 106.7 | -107.6 | -59.5 | 0 | 0 | 0 | 113.1 | G660 | N658-G660 PolarHBondContact O-N 3.33Å; N658-G660 VanDerWaalsContact O-N 3.1Å | |||
| 659 | P | 40.4 | Very low | 44.5 | Very low | 122 Ų | 122 | 132.5 Ų | 132.5 | 79% | 0.792 | 80% | 0.804 | S | S | * | * | trans | -84 | 84.3 | -177.6 | 33.2 | -34.2 | 0 | 0 | 0 | 113 | R661 | P659-R661 PolarHBondContact O-N 3.21Š| ||
| 660 | G | 35.4 | Very low | 45.8 | Very low | 71 Ų | 71 | 129.6 Ų | 129.6 | 73% | 0.732 | 79% | 0.789 | S | S | * | * | trans | -59.1 | 120.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | N658 E662 | N658-G660 PolarHBondContact O-N 3.33Å; N658-G660 VanDerWaalsContact O-N 3.1Å; G660-E662 VanDerWaalsContact C-N 3.34Å; G660-E662 PolarHBondContact O-N 3.07Å | ||
| 661 | R | 50.2 | Low | 47.2 | Very low | 236 Ų | 236 | 128.3 Ų | 128.3 | 89% | 0.891 | 78% | 0.781 | S | S | * | * | trans | -73.2 | 67.9 | -165.7 | -165.4 | -171.8 | -168.4 | -171.6 | 7.3 | 114.6 | P659 | P659-R661 PolarHBondContact O-N 3.21Š| ||
| 662 | E | 39.6 | Very low | 49 | Very low | 186 Ų | 186 | 132 Ų | 132 | 87% | 0.869 | 78% | 0.778 | S | S | * | * | trans | -62.2 | 135 | 169.9 | -75.9 | -144 | 129.1 | 0 | 0 | 112.1 | G660 | G660-E662 VanDerWaalsContact C-N 3.34Å; G660-E662 PolarHBondContact O-N 3.07Å | ||
| 663 | K | 50.3 | Low | 51.1 | Low | 185 Ų | 185 | 133 Ų | 133 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | trans | -92.4 | 114.7 | 171.1 | -67.1 | 172.6 | -176.2 | 171.1 | 0 | 108.1 | Q665 | K663-Q665 PolarHBondContact O-N 3.46Š| ||
| 664 | P | 48.8 | Very low | 53.5 | Low | 115 Ų | 115 | 131.2 Ų | 131.2 | 75% | 0.747 | 74% | 0.738 | S | S | * | * | trans | -62.4 | 135.1 | -179.7 | 25.3 | -33.8 | 0 | 0 | 0 | 110.7 | V666 | P664-V666 PolarHBondContact O-N 3.06Š| ||
| 665 | Q | 51.1 | Low | 55.9 | Low | 184 Ų | 184 | 135 Ų | 135 | 86% | 0.86 | 73% | 0.729 | S | S | * | * | trans | -59.1 | 114 | -179.2 | -67.5 | -175.7 | 0.4 | 0 | 0 | 110.9 | K663 K667 | K663-Q665 PolarHBondContact O-N 3.46Å; Q665-K667 PolarHBondContact O-N 3.37Å | ||
| 666 | V | 49.4 | Very low | 58.3 | Low | 137 Ų | 137 | 136.1 Ų | 136.1 | 83% | 0.83 | 72% | 0.722 | S | S | * | * | trans | -71.4 | 91.5 | 178.7 | -176.5 | 0 | 0 | 0 | 0 | 109.5 | P664 K668 | P664-V666 PolarHBondContact O-N 3.06Å; V666-K668 PolarHBondContact O-N 3.46Å | ||
| 667 | K | 68.7 | Low | 60.6 | Low | 176 Ų | 176 | 134 Ų | 134 | 77% | 0.765 | 71% | 0.705 | S | S | * | * | trans | -54.6 | 129.2 | 168.4 | -64.2 | -179.9 | -178.5 | 177.9 | 0 | 108.2 | Q665 I669 | Q665-K667 PolarHBondContact O-N 3.37Å; K667-I669 PolarHBondContact O-N 2.95Å | ||
| 668 | K | 70.8 | Confident | 62.8 | Low | 215 Ų | 215 | 135.1 Ų | 135.1 | 94% | 0.935 | 70% | 0.7 | S | S | * | * | trans | -72.1 | 88.4 | -176.7 | -67.3 | -176.3 | 179.3 | -178.9 | 0 | 110.5 | V666 | V666-K668 PolarHBondContact O-N 3.46Š| ||
| 669 | I | 74.9 | Confident | 64.7 | Low | 90 Ų | 90 | 130.1 Ų | 130.1 | 46% | 0.462 | 68% | 0.68 | S | S | . | * | trans | -72.9 | 132 | 178.6 | -64.5 | 165.1 | 0 | 0 | 0 | 109.4 | K667 M673 A674 I677 | K667-I669 PolarHBondContact O-N 2.95Å; I669-M673 HydrophobicContact CG2-CB 3.54Å; I669-A674 HydrophobicContact CG2-CB 4.09Å; I669-I677 HydrophobicContact CD1-CD1 4.11Å; I669-I677 HydrophobicContact CG2-CD1 4.31Å | ||
| 670 | A | 78.3 | Confident | 66.4 | Low | 50 Ų | 50 | 130.8 Ų | 130.8 | 41% | 0.413 | 67% | 0.671 | S | S | . | * | trans | -64.3 | 147.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | M672 M673 A674 | A670-M672 VanDerWaalsContact C-N 3.26Å; A670-M672 PolarHBondContact O-N 3.06Å; A670-M672 VanDerWaalsContact O-N 3.07Å; A670-M673 PolarHBondContact O-N 3.39Å; A670-A674 PolarHBondContact O-N 3.47Å | ||
| 671 | P | 75.8 | Confident | 68.5 | Low | 105 Ų | 105 | 135 Ų | 135 | 68% | 0.682 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -54.1 | -36.3 | -171.6 | -29.5 | 35.7 | 0 | 0 | 0 | 115.4 | A674 K675 | P671-A674 PolarHBondContact O-N 3.42Å; P671-K675 PolarHBondContact O-N 3.03Å; P671-K675 VanDerWaalsContact O-N 3.08Å |
| 672 | M | 70.1 | Confident | 69.4 | Low | 156 Ų | 156 | 128.9 Ų | 128.9 | 77% | 0.768 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -59 | -50.7 | 173.3 | -71.2 | -84.3 | -81.4 | 0 | 0 | 112.1 | A670 A674 K675 T676 | A670-M672 VanDerWaalsContact C-N 3.26Å; A670-M672 PolarHBondContact O-N 3.06Å; A670-M672 VanDerWaalsContact O-N 3.07Å; M672-A674 VanDerWaalsContact C-N 3.34Å; M672-A674 PolarHBondContact O-N 2.88Å; M672-K675 PolarHBondContact O-N 3.07Å; M672-T676 PolarHBondContact O-N 3.14Å; M672-T676 VanDerWaalsContact O-N 3.12Å |
| 673 | M | 74.8 | Confident | 70.7 | Confident | 109 Ų | 109 | 129.8 Ų | 129.8 | 54% | 0.537 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -69.9 | -30.2 | 179.1 | -69.5 | -159.7 | -64.2 | 0 | 0 | 112.4 | I669 A670 T676 I677 | I669-M673 HydrophobicContact CG2-CB 3.54Å; A670-M673 PolarHBondContact O-N 3.39Å; M673-T676 WeakPolarHBondContact CA-OG1 3.35Å; M673-T676 PolarHBondContact O-N 3.18Å; M673-T676 PolarHBondContact O-OG1 3.48Å; M673-I677 WeakPolarHBondContact O-CB 3.39Å; M673-I677 WeakPolarHBondContact O-CD1 3.47Å; M673-I677 WeakPolarHBondContact O-CG1 3.37Å; M673-I677 PolarHBondContact O-N 3.05Å |
| 674 | A | 80.8 | Confident | 71.4 | Confident | 45 Ų | 45 | 128 Ų | 128 | 37% | 0.372 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -64.9 | -40.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | I669 A670 P671 M672 K678 | I669-A674 HydrophobicContact CG2-CB 4.09Å; A670-A674 PolarHBondContact O-N 3.47Å; P671-A674 PolarHBondContact O-N 3.42Å; M672-A674 VanDerWaalsContact C-N 3.34Å; M672-A674 PolarHBondContact O-N 2.88Å; A674-K678 WeakPolarHBondContact O-CB 3.45Å; A674-K678 PolarHBondContact O-N 3.43Å |
| 675 | K | 81.4 | Confident | 71.8 | Confident | 169 Ų | 169 | 127.1 Ų | 127.1 | 74% | 0.735 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -64.6 | -45.7 | 174.5 | -74 | -172.9 | 175.2 | -173.1 | 0 | 112.3 | P671 M672 K678 A679 | P671-K675 PolarHBondContact O-N 3.03Å; P671-K675 VanDerWaalsContact O-N 3.08Å; M672-K675 PolarHBondContact O-N 3.07Å; K675-K678 PolarHBondContact O-N 3.39Å; K675-A679 WeakPolarHBondContact O-CB 3.22Å; K675-A679 PolarHBondContact O-N 3.04Å |
| 676 | T | 81.1 | Confident | 72.2 | Confident | 92 Ų | 92 | 129.4 Ų | 129.4 | 56% | 0.564 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -67.5 | -40.2 | 179.4 | 54.3 | 0 | 0 | 0 | 0 | 112.7 | M672 M673 A679 F680 | M672-T676 PolarHBondContact O-N 3.14Å; M672-T676 VanDerWaalsContact O-N 3.12Å; M673-T676 WeakPolarHBondContact CA-OG1 3.35Å; M673-T676 PolarHBondContact O-N 3.18Å; M673-T676 PolarHBondContact O-OG1 3.48Å; T676-A679 PolarHBondContact O-N 3.21Å; T676-F680 WeakPolarHBondContact O-CB 3.38Å; T676-F680 PolarHBondContact O-N 3.4Å |
| 677 | I | 79.9 | Confident | 72 | Confident | 91 Ų | 91 | 137.7 Ų | 137.7 | 47% | 0.467 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -63.9 | -41.9 | 175.2 | -68.6 | 166.8 | 0 | 0 | 0 | 111.1 | I669 M673 F680 K681 | I669-I677 HydrophobicContact CD1-CD1 4.11Å; I669-I677 HydrophobicContact CG2-CD1 4.31Å; M673-I677 WeakPolarHBondContact O-CB 3.39Å; M673-I677 WeakPolarHBondContact O-CD1 3.47Å; M673-I677 WeakPolarHBondContact O-CG1 3.37Å; M673-I677 PolarHBondContact O-N 3.05Å; I677-F680 PolarHBondContact O-N 3.37Å; I677-K681 WeakPolarHBondContact O-CB 3.22Å; I677-K681 PolarHBondContact O-N 3.48Å |
| 678 | K | 81.3 | Confident | 72.1 | Confident | 148 Ų | 148 | 135.8 Ų | 135.8 | 64% | 0.643 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -63.2 | -43 | 174.9 | -170.1 | 176.6 | -178.7 | -177.2 | 0 | 111.6 | A674 K675 K681 N682 | A674-K678 WeakPolarHBondContact O-CB 3.45Å; A674-K678 PolarHBondContact O-N 3.43Å; K675-K678 PolarHBondContact O-N 3.39Å; K678-K681 PolarHBondContact O-N 3.21Å; K678-N682 PolarHBondContact O-N 2.81Å |
| 679 | A | 76.2 | Confident | 72.2 | Confident | 51 Ų | 51 | 131.6 Ų | 131.6 | 42% | 0.421 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -64.2 | -39.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | K675 T676 R683 | K675-A679 WeakPolarHBondContact O-CB 3.22Å; K675-A679 PolarHBondContact O-N 3.04Å; T676-A679 PolarHBondContact O-N 3.21Å; A679-R683 WeakPolarHBondContact O-CG 3.09Å; A679-R683 PolarHBondContact O-N 3.3Å |
| 680 | F | 76.4 | Confident | 72.1 | Confident | 135 Ų | 135 | 133.9 Ų | 133.9 | 59% | 0.592 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -66.7 | -47.2 | 176.2 | -164.9 | -92.2 | 0 | 0 | 0 | 111.3 | T676 I677 N682 R683 F684 | T676-F680 WeakPolarHBondContact O-CB 3.38Å; T676-F680 PolarHBondContact O-N 3.4Å; I677-F680 PolarHBondContact O-N 3.37Å; F680-N682 VanDerWaalsContact C-N 3.33Å; F680-N682 PolarHBondContact O-N 2.93Å; F680-R683 PolarHBondContact O-N 3.4Å; F680-F684 HydrophobicContact CD1-CD2 4.03Å; F680-F684 HydrophobicContact CD1-CE2 4.16Å; F680-F684 AromaticContact CE1-CD2 3.74Å; F680-F684 HydrophobicContact CE1-CD2 3.74Å; F680-F684 AromaticContact CE1-CE2 3.53Å; F680-F684 HydrophobicContact CE1-CE2 3.53Å; F680-F684 HydrophobicContact CE1-CZ 4.44Å; F680-F684 AromaticContact CE2-CE2 3.94Å; F680-F684 HydrophobicContact CE2-CE2 3.94Å; F680-F684 HydrophobicContact CZ-CD2 4.11Å; F680-F684 AromaticContact CZ-CE2 3.42Å; F680-F684 HydrophobicContact CZ-CE2 3.42Å; F680-F684 VanDerWaalsContact CZ-CE2 3.42Å; F680-F684 HydrophobicContact CZ-CZ 4.15Å; F680-F684 PolarHBondContact O-N 3.3Å |
| 681 | K | 78.6 | Confident | 71.7 | Confident | 160 Ų | 160 | 138.9 Ų | 138.9 | 70% | 0.696 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -64.3 | -34.9 | -178.6 | -162.7 | 166 | -175.5 | 174.6 | 0 | 112.8 | I677 K678 R683 S685 | I677-K681 WeakPolarHBondContact O-CB 3.22Å; I677-K681 PolarHBondContact O-N 3.48Å; K678-K681 PolarHBondContact O-N 3.21Å; K681-R683 VanDerWaalsContact C-N 3.31Å; K681-R683 PolarHBondContact O-N 2.85Å; K681-S685 PolarHBondContact O-N 3.1Å |
| 682 | N | 69 | Low | 71.4 | Confident | 107 Ų | 107 | 141 Ų | 141 | 57% | 0.572 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -66.4 | -27 | 173.3 | -85.6 | 18.4 | 0 | 0 | 0 | 113.8 | K678 F680 | K678-N682 PolarHBondContact O-N 2.81Å; F680-N682 VanDerWaalsContact C-N 3.33Å; F680-N682 PolarHBondContact O-N 2.93Å |
| 683 | R | 66.4 | Low | 71.5 | Confident | 205 Ų | 205 | 140 Ų | 140 | 77% | 0.774 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -76.1 | -32.3 | 179 | -71.8 | 178.2 | -176.2 | -165 | 0.3 | 113.1 | A679 F680 K681 | A679-R683 WeakPolarHBondContact O-CG 3.09Å; A679-R683 PolarHBondContact O-N 3.3Å; F680-R683 PolarHBondContact O-N 3.4Å; K681-R683 VanDerWaalsContact C-N 3.31Å; K681-R683 PolarHBondContact O-N 2.85Å |
| 684 | F | 65.4 | Low | 71.3 | Confident | 148 Ų | 148 | 142.2 Ų | 142.2 | 65% | 0.649 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -87.3 | -10.7 | 179 | -78.5 | -88.1 | 0 | 0 | 0 | 114.1 | F680 R686 | F680-F684 HydrophobicContact CD1-CD2 4.03Å; F680-F684 HydrophobicContact CD1-CE2 4.16Å; F680-F684 AromaticContact CE1-CD2 3.74Å; F680-F684 HydrophobicContact CE1-CD2 3.74Å; F680-F684 AromaticContact CE1-CE2 3.53Å; F680-F684 HydrophobicContact CE1-CE2 3.53Å; F680-F684 HydrophobicContact CE1-CZ 4.44Å; F680-F684 AromaticContact CE2-CE2 3.94Å; F680-F684 HydrophobicContact CE2-CE2 3.94Å; F680-F684 HydrophobicContact CZ-CD2 4.11Å; F680-F684 AromaticContact CZ-CE2 3.42Å; F680-F684 HydrophobicContact CZ-CE2 3.42Å; F680-F684 VanDerWaalsContact CZ-CE2 3.42Å; F680-F684 HydrophobicContact CZ-CZ 4.15Å; F680-F684 PolarHBondContact O-N 3.3Å; F684-R686 VanDerWaalsContact C-N 3.29Å; F684-R686 PolarHBondContact O-N 3.44Å |
| 685 | S | 57.8 | Low | 70.6 | Confident | 96 Ų | 96 | 149.7 Ų | 149.7 | 67% | 0.671 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -89.4 | 20.6 | 178.7 | -166.6 | 0 | 0 | 0 | 0 | 114.1 | K681 | K681-S685 PolarHBondContact O-N 3.1Š|
| 686 | R | 58.2 | Low | 69.7 | Low | 233 Ų | 233 | 148.1 Ų | 148.1 | 88% | 0.879 | 68% | 0.675 | S | S | * | * | trans | -133.6 | 39.4 | 178.3 | -71.7 | -166.7 | 174.1 | -160.1 | 0.2 | 112.3 | F684 | F684-R686 VanDerWaalsContact C-N 3.29Å; F684-R686 PolarHBondContact O-N 3.44Å | ||
| 687 | R | 45.8 | Very low | 68.6 | Low | 311 Ų | 311 | 153.2 Ų | 153.2 | 100% | 1.174 | 69% | 0.685 | S | S | * | * | trans | -135.2 | 0 | 161.4 | -81.6 | -170.1 | 172.2 | -166.4 | -3.2 | 107.7 |
Retrieved 687 of 687 residues in 316.5 ms
(Link to these results)