| 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 | V | 56.9 | Low | 58.7 | Low | 157 Ų | 157 | 122.8 Ų | 122.8 | 95% | 0.952 | 68% | 0.684 | S | S | * | * | 0 | -40.5 | 0 | -161 | 0 | 0 | 0 | 0 | 114.2 | L3 | V1-L3 PolarHBondContact O-N 2.7Š| |||
| 2 | P | 58.5 | Low | 58.3 | Low | 104 Ų | 104 | 121.2 Ų | 121.2 | 68% | 0.675 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -75.4 | -24.6 | -172.3 | 30.1 | -33.4 | 0 | 0 | 0 | 114.2 | L4 | P2-L4 PolarHBondContact O-N 3.21Å |
| 3 | L | 56.1 | Low | 57.8 | Low | 141 Ų | 141 | 125.7 Ų | 125.7 | 74% | 0.738 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -72.3 | -24.6 | 179.5 | -108.8 | 134.9 | 0 | 0 | 0 | 114.1 | V1 | V1-L3 PolarHBondContact O-N 2.7Å |
| 4 | L | 57.9 | Low | 57.1 | Low | 127 Ų | 127 | 124 Ų | 124 | 67% | 0.665 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -78 | -31.2 | -179.6 | -128 | 118.3 | 0 | 0 | 0 | 112 | P2 L8 | P2-L4 PolarHBondContact O-N 3.21Å; L4-L8 WeakPolarHBondContact O-CD1 3.4Å; L4-L8 PolarHBondContact O-N 3.31Å |
| 5 | L | 59.7 | Low | 56.9 | Low | 116 Ų | 116 | 122.7 Ų | 122.7 | 61% | 0.607 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -72.3 | -32.8 | 178.3 | -88.4 | 147.3 | 0 | 0 | 0 | 112.6 | A9 | L5-A9 PolarHBondContact O-N 3.47Å |
| 6 | V | 63.2 | Low | 56.5 | Low | 107 Ų | 107 | 121.4 Ų | 121.4 | 65% | 0.648 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -72.4 | -34.9 | 178.1 | 178.6 | 0 | 0 | 0 | 0 | 111.5 | A9 | V6-A9 PolarHBondContact O-N 3.37Å |
| 7 | L | 60.4 | Low | 56.2 | Low | 114 Ų | 114 | 121.3 Ų | 121.3 | 60% | 0.597 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -69 | -37.8 | 176.7 | -75.7 | 162.6 | 0 | 0 | 0 | 112.1 | A9 S10 | L7-A9 VanDerWaalsContact C-N 3.33Å; L7-A9 PolarHBondContact O-N 2.93Å; L7-S10 PolarHBondContact O-N 2.94Å; L7-S10 PolarHBondContact O-OG 3.45Å |
| 8 | L | 59.9 | Low | 55.8 | Low | 115 Ų | 115 | 122.3 Ų | 122.3 | 60% | 0.602 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -69.5 | -26.6 | 176.8 | -75.5 | 160.6 | 0 | 0 | 0 | 113.5 | L4 S10 | L4-L8 WeakPolarHBondContact O-CD1 3.4Å; L4-L8 PolarHBondContact O-N 3.31Å; L8-S10 VanDerWaalsContact C-N 3.31Å |
| 9 | A | 60.1 | Low | 55.5 | Low | 86 Ų | 86 | 126.1 Ų | 126.1 | 71% | 0.711 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | -4.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | L5 V6 L7 | L5-A9 PolarHBondContact O-N 3.47Å; V6-A9 PolarHBondContact O-N 3.37Å; L7-A9 VanDerWaalsContact C-N 3.33Å; L7-A9 PolarHBondContact O-N 2.93Å |
| 10 | S | 58 | Low | 55.2 | Low | 79 Ų | 79 | 121.2 Ų | 121.2 | 55% | 0.552 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.7 | 4 | -174.5 | 69.3 | 0 | 0 | 0 | 0 | 114.6 | L7 L8 | L7-S10 PolarHBondContact O-N 2.94Å; L7-S10 PolarHBondContact O-OG 3.45Å; L8-S10 VanDerWaalsContact C-N 3.31Å |
| 11 | W | 54.7 | Low | 54.4 | Low | 205 Ų | 205 | 121.1 Ų | 121.1 | 78% | 0.777 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -82.2 | 123.1 | 171.4 | -77.9 | -6.1 | 0 | 0 | 0 | 110.3 | L13 | W11-L13 PolarHBondContact O-N 3.21Å; W11-L13 VanDerWaalsContact O-N 3.14Å |
| 12 | P | 53.6 | Low | 54.2 | Low | 103 Ų | 103 | 118.8 Ų | 118.8 | 67% | 0.669 | 68% | 0.68 | S | S | * | * | trans | -64.1 | 119.2 | 176.6 | 26 | -31.1 | 0 | 0 | 0 | 108.6 | S14 | P12-S14 PolarHBondContact O-N 3.3Å; P12-S14 PolarHBondContact O-OG 3.46Å | ||
| 13 | L | 52.4 | Low | 53.8 | Low | 180 Ų | 180 | 122.5 Ų | 122.5 | 94% | 0.942 | 69% | 0.688 | S | S | * | * | trans | -62.4 | 83.8 | 159.7 | -82 | 142.9 | 0 | 0 | 0 | 106.9 | W11 S15 | W11-L13 PolarHBondContact O-N 3.21Å; W11-L13 VanDerWaalsContact O-N 3.14Å; L13-S15 VanDerWaalsContact C-N 3.33Å; L13-S15 PolarHBondContact O-N 3.37Å | ||
| 14 | S | 48.5 | Very low | 53.5 | Low | 102 Ų | 102 | 119.5 Ų | 119.5 | 71% | 0.713 | 68% | 0.677 | S | S | * | * | trans | -74.6 | 91.3 | -179.7 | -55.1 | 0 | 0 | 0 | 0 | 106.7 | P12 A16 | P12-S14 PolarHBondContact O-N 3.3Å; P12-S14 PolarHBondContact O-OG 3.46Å; S14-A16 PolarHBondContact O-N 3.47Å | ||
| 15 | S | 53.3 | Low | 53 | Low | 104 Ų | 104 | 120.6 Ų | 120.6 | 73% | 0.727 | 68% | 0.679 | S | S | * | * | trans | -73.6 | 108.1 | 167.3 | -179.1 | 0 | 0 | 0 | 0 | 107.2 | L13 V17 | L13-S15 VanDerWaalsContact C-N 3.33Å; L13-S15 PolarHBondContact O-N 3.37Å; S15-V17 PolarHBondContact O-N 3.36Å | ||
| 16 | A | 50.2 | Low | 52.3 | Low | 102 Ų | 102 | 120.7 Ų | 120.7 | 84% | 0.843 | 68% | 0.679 | S | S | * | * | trans | -82 | 108.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | S14 | S14-A16 PolarHBondContact O-N 3.47Š| ||
| 17 | V | 52.3 | Low | 51.4 | Low | 120 Ų | 120 | 118.9 Ų | 118.9 | 73% | 0.727 | 67% | 0.671 | S | S | * | * | trans | -95.8 | 115.8 | 171.8 | 179 | 0 | 0 | 0 | 0 | 107.1 | S15 | S15-V17 PolarHBondContact O-N 3.36Š| ||
| 18 | Y | 48 | Very low | 50.5 | Low | 140 Ų | 140 | 121.4 Ų | 121.4 | 55% | 0.549 | 69% | 0.685 | S | S | . | * | trans | -95.3 | 122.6 | 174.1 | 178 | -102 | 0 | 0 | 0 | 109.4 | G20 L22 | Y18-G20 VanDerWaalsContact CE1-C 3.45Å; Y18-G20 WeakPolarHBondContact CE1-O 3.47Å; Y18-G20 VanDerWaalsContact CZ-CA 3.43Å; Y18-L22 HydrophobicContact CD1-CD2 3.95Å; Y18-L22 HydrophobicContact CD1-CG 4.24Å; Y18-L22 HydrophobicContact CE1-CD2 3.51Å; Y18-L22 HydrophobicContact CE1-CG 3.86Å | ||
| 19 | E | 50.4 | Low | 50 | Low | 194 Ų | 194 | 119.3 Ų | 119.3 | 91% | 0.907 | 69% | 0.692 | S | S | * | * | trans | -110.5 | 13.4 | -175.7 | -134.3 | 177 | -163.6 | 0 | 0 | 112.4 | ||||
| 20 | G | 49 | Very low | 49.3 | Very low | 27 Ų | 27 | 119 Ų | 119 | 28% | 0.278 | 68% | 0.681 | S | S | . | * | S | Bend | trans | -91.1 | 160.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114 | Y18 L22 | Y18-G20 VanDerWaalsContact CE1-C 3.45Å; Y18-G20 WeakPolarHBondContact CE1-O 3.47Å; Y18-G20 VanDerWaalsContact CZ-CA 3.43Å; G20-L22 PolarHBondContact O-N 3.47Å; G20-L22 VanDerWaalsContact O-N 3.15Å |
| 21 | P | 39.8 | Very low | 48.8 | Very low | 121 Ų | 121 | 121.2 Ų | 121.2 | 79% | 0.786 | 68% | 0.681 | S | S | * | * | trans | -70.3 | 110.5 | -179.9 | 28.1 | -32.1 | 0 | 0 | 0 | 110.3 | ||||
| 22 | L | 51.5 | Low | 48.7 | Very low | 107 Ų | 107 | 113.5 Ų | 113.5 | 56% | 0.56 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 121 | 173.6 | -66.5 | 168.9 | 0 | 0 | 0 | 108.9 | Y18 G20 P24 | Y18-L22 HydrophobicContact CD1-CD2 3.95Å; Y18-L22 HydrophobicContact CD1-CG 4.24Å; Y18-L22 HydrophobicContact CE1-CD2 3.51Å; Y18-L22 HydrophobicContact CE1-CG 3.86Å; G20-L22 PolarHBondContact O-N 3.47Å; G20-L22 VanDerWaalsContact O-N 3.15Å; L22-P24 WeakPolarHBondContact O-CD 3.36Å |
| 23 | Q | 50 | Low | 48.9 | Very low | 182 Ų | 182 | 112.3 Ų | 112.3 | 85% | 0.85 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 118.5 | 169.7 | -75 | -172.8 | 4.7 | 0 | 0 | 109.4 | ||
| 24 | P | 49.7 | Very low | 49 | Very low | 78 Ų | 78 | 109.6 Ų | 109.6 | 51% | 0.506 | 62% | 0.619 | S | S | . | * | P | Polyproline II helix | trans | -90.8 | 123.2 | 176.1 | 33.6 | -31.3 | 0 | 0 | 0 | 111.3 | L22 F31 | L22-P24 WeakPolarHBondContact O-CD 3.36Å; P24-F31 HydrophobicContact CB-CD1 4.11Å; P24-F31 HydrophobicContact CB-CE1 3.32Å; P24-F31 HydrophobicContact CB-CZ 3.95Å; P24-F31 HydrophobicContact CG-CE1 4.32Å |
| 25 | E | 48.8 | Very low | 49.2 | Very low | 150 Ų | 150 | 110.7 Ų | 110.7 | 70% | 0.701 | 61% | 0.612 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -111.1 | 130.3 | 162.4 | -74.9 | -161.8 | 155.6 | 0 | 0 | 110.1 | ||
| 26 | I | 44.3 | Very low | 49.2 | Very low | 119 Ų | 119 | 109 Ų | 109 | 61% | 0.61 | 60% | 0.597 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -96.2 | 113.3 | 178.9 | -65.1 | 171.6 | 0 | 0 | 0 | 108.4 | F31 | I26-F31 HydrophobicContact CD1-CE2 4.01Å; I26-F31 HydrophobicContact CG1-CD2 4.37Å; I26-F31 HydrophobicContact CG1-CE2 4.08Å |
| 27 | S | 44.3 | Very low | 49.2 | Very low | 69 Ų | 69 | 108.8 Ų | 108.8 | 48% | 0.483 | 59% | 0.586 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.6 | 124.8 | 164 | 62.7 | 0 | 0 | 0 | 0 | 109.3 | G29 H32 | S27-G29 PolarHBondContact O-N 3.24Å; S27-H32 PolarHBondContact O-NE2 3.46Å; S27-H32 PolarHBondContact OG-CD2 2.74Å |
| 28 | N | 42.2 | Very low | 49.4 | Very low | 166 Ų | 166 | 110.3 Ų | 110.3 | 89% | 0.888 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 60.3 | 35 | 175.1 | -154.6 | 15.9 | 0 | 0 | 0 | 116.3 | T30 | N28-T30 PolarHBondContact O-N 3Š|
| 29 | G | 48.1 | Very low | 49.6 | Very low | 72 Ų | 72 | 106.8 Ų | 106.8 | 74% | 0.742 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 73.6 | 6.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | S27 | S27-G29 PolarHBondContact O-N 3.24Š|
| 30 | T | 45.9 | Very low | 49.8 | Very low | 80 Ų | 80 | 104.7 Ų | 104.7 | 49% | 0.491 | 59% | 0.592 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.5 | 142.9 | 170.7 | 36.3 | 0 | 0 | 0 | 0 | 110.7 | N28 H32 | N28-T30 PolarHBondContact O-N 3Å; T30-H32 PolarHBondContact O-CD2 3Å; T30-H32 PolarHBondContact O-N 3.48Å; T30-H32 PolarHBondContact O-NE2 3.01Å; T30-H32 PolarHBondContact OG1-CE1 3.35Å; T30-H32 PolarHBondContact OG1-NE2 3.13Å |
| 31 | F | 47.8 | Very low | 50.1 | Low | 125 Ų | 125 | 111 Ų | 111 | 55% | 0.548 | 61% | 0.608 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80.1 | 115.3 | 177.2 | -109.9 | -101.3 | 0 | 0 | 0 | 109.8 | P24 I26 H33 | P24-F31 HydrophobicContact CB-CD1 4.11Å; P24-F31 HydrophobicContact CB-CE1 3.32Å; P24-F31 HydrophobicContact CB-CZ 3.95Å; P24-F31 HydrophobicContact CG-CE1 4.32Å; I26-F31 HydrophobicContact CD1-CE2 4.01Å; I26-F31 HydrophobicContact CG1-CD2 4.37Å; I26-F31 HydrophobicContact CG1-CE2 4.08Å; F31-H33 AromaticContact CD1-CE1 3.66Å |
| 32 | H | 53.2 | Low | 50.9 | Low | 43 Ų | 43 | 112.2 Ų | 112.2 | 20% | 0.199 | 60% | 0.603 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.8 | 119.7 | 177.6 | -60.8 | -84.3 | 0 | 0 | 0 | 109 | S27 T30 F34 | S27-H32 PolarHBondContact O-NE2 3.46Å; S27-H32 PolarHBondContact OG-CD2 2.74Å; T30-H32 PolarHBondContact O-CD2 3Å; T30-H32 PolarHBondContact O-N 3.48Å; T30-H32 PolarHBondContact O-NE2 3.01Å; T30-H32 PolarHBondContact OG1-CE1 3.35Å; T30-H32 PolarHBondContact OG1-NE2 3.13Å; H32-F34 HydrophobicContact CB-CE2 4.28Å; H32-F34 HydrophobicContact CB-CZ 4.24Å |
| 33 | H | 56.2 | Low | 51.2 | Low | 78 Ų | 78 | 115.6 Ų | 115.6 | 36% | 0.361 | 62% | 0.617 | S | S | . | * | trans | -105 | 119.6 | 175.3 | -63.6 | 78.6 | 0 | 0 | 0 | 108.2 | F31 | F31-H33 AromaticContact CD1-CE1 3.66Š| ||
| 34 | F | 56.4 | Low | 51.5 | Low | 122 Ų | 122 | 113 Ų | 113 | 54% | 0.535 | 61% | 0.613 | S | S | . | * | trans | -93 | 124.7 | 176.5 | -59.2 | -79.6 | 0 | 0 | 0 | 109.2 | H32 P47 | H32-F34 HydrophobicContact CB-CE2 4.28Å; H32-F34 HydrophobicContact CB-CZ 4.24Å; F34-P47 HydrophobicContact CE1-CB 4.12Å | ||
| 35 | F | 51.5 | Low | 51.9 | Low | 126 Ų | 126 | 113.2 Ų | 113.2 | 55% | 0.553 | 61% | 0.613 | S | S | * | * | trans | -105.5 | 111.3 | 171.6 | -176.1 | -108.2 | 0 | 0 | 0 | 108.6 | P37 | F35-P37 HydrophobicContact CD1-CG 3.99Å; F35-P37 HydrophobicContact CE1-CB 4.17Å; F35-P37 HydrophobicContact CE1-CG 3.68Å | ||
| 36 | V | 54.4 | Low | 52.2 | Low | 69 Ų | 69 | 110.3 Ų | 110.3 | 42% | 0.418 | 60% | 0.602 | S | S | . | * | trans | -111.6 | 105 | 174.2 | -170.7 | 0 | 0 | 0 | 0 | 107.2 | D38 | V36-D38 PolarHBondContact O-N 2.93Š| ||
| 37 | P | 48.8 | Very low | 52.6 | Low | 96 Ų | 96 | 108.3 Ų | 108.3 | 62% | 0.623 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -62.1 | -29.6 | -174.4 | -20.3 | 29.1 | 0 | 0 | 0 | 114.1 | F35 | F35-P37 HydrophobicContact CD1-CG 3.99Å; F35-P37 HydrophobicContact CE1-CB 4.17Å; F35-P37 HydrophobicContact CE1-CG 3.68Å |
| 38 | D | 57.3 | Low | 53.2 | Low | 153 Ų | 153 | 112.5 Ų | 112.5 | 82% | 0.818 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -115.4 | -1.7 | -171.5 | -59.2 | -38 | 0 | 0 | 0 | 114.1 | V36 D40 | V36-D38 PolarHBondContact O-N 2.93Å; D38-D40 VanDerWaalsContact C-N 3.33Å; D38-D40 PolarHBondContact O-N 3.39Å |
| 39 | G | 51.7 | Low | 53.6 | Low | 65 Ų | 65 | 111.7 Ų | 111.7 | 67% | 0.67 | 60% | 0.6 | S | S | * | * | trans | 75.2 | 1.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 40 | D | 54.4 | Low | 53.8 | Low | 151 Ų | 151 | 112.4 Ų | 112.4 | 81% | 0.807 | 59% | 0.592 | S | S | * | * | trans | -99 | 123.6 | 176.3 | -123.7 | -12.8 | 0 | 0 | 0 | 110.7 | D38 | D38-D40 VanDerWaalsContact C-N 3.33Å; D38-D40 PolarHBondContact O-N 3.39Å | ||
| 41 | Y | 55.6 | Low | 54.1 | Low | 158 Ų | 158 | 113.6 Ų | 113.6 | 62% | 0.62 | 59% | 0.592 | S | S | * | * | trans | -107.1 | 111.4 | -178.1 | -171.7 | -91.8 | 0 | 0 | 0 | 110 | E43 | Y41-E43 HydrophobicContact CD1-CG 4.22Å; Y41-E43 HydrophobicContact CE1-CG 4.12Å | ||
| 42 | E | 57.4 | Low | 54.2 | Low | 147 Ų | 147 | 112.8 Ų | 112.8 | 69% | 0.687 | 59% | 0.591 | S | S | * | * | trans | -89 | 118.6 | 165.8 | -83.5 | -178 | 163.7 | 0 | 0 | 109.5 | T44 V45 | E42-T44 PolarHBondContact O-N 2.87Å; E42-V45 HydrophobicContact CB-CG2 4.48Å; E42-V45 PolarHBondContact O-N 3.33Å | ||
| 43 | E | 56.4 | Low | 54.1 | Low | 179 Ų | 179 | 117.8 Ų | 117.8 | 84% | 0.836 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | -4.1 | -177.4 | -68.5 | 180 | 164.2 | 0 | 0 | 115.1 | Y41 | Y41-E43 HydrophobicContact CD1-CG 4.22Å; Y41-E43 HydrophobicContact CE1-CG 4.12Å |
| 44 | T | 56.8 | Low | 53.7 | Low | 127 Ų | 127 | 121.4 Ų | 121.4 | 78% | 0.779 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.6 | 0.5 | -175.8 | 51.5 | 0 | 0 | 0 | 0 | 114.7 | E42 | E42-T44 PolarHBondContact O-N 2.87Š|
| 45 | V | 57.4 | Low | 53.2 | Low | 83 Ų | 83 | 124.8 Ų | 124.8 | 50% | 0.503 | 65% | 0.648 | S | S | . | * | S | Bend | trans | -94.8 | 121 | -177.7 | -175.4 | 0 | 0 | 0 | 0 | 110.7 | E42 P47 | E42-V45 HydrophobicContact CB-CG2 4.48Å; E42-V45 PolarHBondContact O-N 3.33Å; V45-P47 WeakPolarHBondContact O-CD 3.23Å |
| 46 | D | 55.3 | Low | 52.9 | Low | 89 Ų | 89 | 127.9 Ų | 127.9 | 48% | 0.476 | 66% | 0.662 | S | S | . | * | trans | -64.4 | 117.1 | -177.6 | -169.3 | 7.9 | 0 | 0 | 0 | 111.6 | E48 H49 | D46-E48 PolarHBondContact O-N 3.49Å; D46-H49 PolarHBondContact O-N 3.32Å; D46-H49 VanDerWaalsContact O-N 3.17Å; D46-H49 IonicContact OD2-CE1 3.94Å | ||
| 47 | P | 53.9 | Low | 52.6 | Low | 77 Ų | 77 | 129.8 Ų | 129.8 | 50% | 0.5 | 68% | 0.678 | S | S | . | * | G | 310 helix | trans | -63.5 | -10 | -169.2 | 20.3 | -31.7 | 0 | 0 | 0 | 115.4 | F34 V45 H49 | F34-P47 HydrophobicContact CE1-CB 4.12Å; V45-P47 WeakPolarHBondContact O-CD 3.23Å; P47-H49 VanDerWaalsContact C-N 3.3Å; P47-H49 PolarHBondContact O-N 2.9Å |
| 48 | E | 56.3 | Low | 52.2 | Low | 157 Ų | 157 | 131.3 Ų | 131.3 | 73% | 0.734 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -71.9 | -20.2 | 175.3 | -62.1 | -162.8 | 169.6 | 0 | 0 | 113.7 | D46 | D46-E48 PolarHBondContact O-N 3.49Š|
| 49 | H | 51.6 | Low | 51.9 | Low | 149 Ų | 149 | 130.7 Ų | 130.7 | 69% | 0.69 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -82.5 | -13.8 | -174.5 | -70.3 | 80.7 | 0 | 0 | 0 | 114.3 | D46 P47 | D46-H49 PolarHBondContact O-N 3.32Å; D46-H49 VanDerWaalsContact O-N 3.17Å; D46-H49 IonicContact OD2-CE1 3.94Å; P47-H49 VanDerWaalsContact C-N 3.3Å; P47-H49 PolarHBondContact O-N 2.9Å |
| 50 | C | 51.6 | Low | 51.7 | Low | 87 Ų | 87 | 133.1 Ų | 133.1 | 59% | 0.588 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -126 | 36.4 | -175.5 | -71.1 | 0 | 0 | 0 | 0 | 113.1 | ||
| 51 | Q | 52.3 | Low | 51.7 | Low | 105 Ų | 105 | 131 Ų | 131 | 49% | 0.491 | 68% | 0.678 | S | S | . | * | trans | -85.9 | 112.1 | 177.9 | -167 | 176.9 | 22.4 | 0 | 0 | 111.6 | L53 | Q51-L53 HydrophobicContact CG-CD2 4.41Å; Q51-L53 HydrophobicContact CG-CG 4.47Å | ||
| 52 | M | 49.6 | Very low | 51.7 | Low | 107 Ų | 107 | 129.3 Ų | 129.3 | 53% | 0.527 | 69% | 0.689 | S | S | . | * | trans | -88.7 | 111 | 166.4 | -70.4 | -115.1 | -67.1 | 0 | 0 | 109.8 | F54 | M52-F54 HydrophobicContact CB-CD2 4.49Å; M52-F54 HydrophobicContact CB-CE2 3.97Å; M52-F54 HydrophobicContact CB-CZ 4.47Å; M52-F54 HydrophobicContact CE-CE1 4.4Å; M52-F54 HydrophobicContact CE-CE2 4.25Å; M52-F54 HydrophobicContact CE-CZ 3.67Å; M52-F54 PolarHBondContact O-N 3.02Å | ||
| 53 | L | 51.8 | Low | 51.6 | Low | 149 Ų | 149 | 127 Ų | 127 | 78% | 0.78 | 69% | 0.694 | S | S | * | * | trans | -83.5 | 100.4 | 176.1 | -69.6 | 165.6 | 0 | 0 | 0 | 109.9 | Q51 | Q51-L53 HydrophobicContact CG-CD2 4.41Å; Q51-L53 HydrophobicContact CG-CG 4.47Å | ||
| 54 | F | 46.3 | Very low | 51.5 | Low | 153 Ų | 153 | 122.4 Ų | 122.4 | 67% | 0.671 | 69% | 0.687 | S | S | * | * | trans | -81.6 | 123.3 | 171.3 | -68.6 | -82.9 | 0 | 0 | 0 | 110.5 | M52 | M52-F54 HydrophobicContact CB-CD2 4.49Å; M52-F54 HydrophobicContact CB-CE2 3.97Å; M52-F54 HydrophobicContact CB-CZ 4.47Å; M52-F54 HydrophobicContact CE-CE1 4.4Å; M52-F54 HydrophobicContact CE-CE2 4.25Å; M52-F54 HydrophobicContact CE-CZ 3.67Å; M52-F54 PolarHBondContact O-N 3.02Å | ||
| 55 | K | 47 | Very low | 51.5 | Low | 194 Ų | 194 | 119 Ų | 119 | 84% | 0.843 | 67% | 0.672 | S | S | * | * | trans | -96.8 | 102.2 | 172.5 | -162.7 | 176.8 | -176.3 | 178.6 | 0 | 108.8 | S57 | K55-S57 PolarHBondContact O-N 3.36Å; K55-S57 VanDerWaalsContact O-N 3.15Å; K55-S57 PolarHBondContact O-OG 3.23Å; K55-S57 VanDerWaalsContact O-OG 3.13Å | ||
| 56 | F | 44.3 | Very low | 51.5 | Low | 191 Ų | 191 | 122.3 Ų | 122.3 | 84% | 0.838 | 68% | 0.682 | S | S | * | * | trans | -56.8 | 118.3 | 175 | -129.8 | -94 | 0 | 0 | 0 | 109 | ||||
| 57 | S | 48.1 | Very low | 51.6 | Low | 108 Ų | 108 | 126.4 Ų | 126.4 | 76% | 0.755 | 70% | 0.698 | S | S | * | * | trans | -117.4 | 23.4 | -174.5 | 17.1 | 0 | 0 | 0 | 0 | 113.1 | K55 | K55-S57 PolarHBondContact O-N 3.36Å; K55-S57 VanDerWaalsContact O-N 3.15Å; K55-S57 PolarHBondContact O-OG 3.23Å; K55-S57 VanDerWaalsContact O-OG 3.13Å | ||
| 58 | D | 41.7 | Very low | 52 | Low | 129 Ų | 129 | 125.6 Ų | 125.6 | 69% | 0.69 | 69% | 0.694 | S | S | * | * | trans | -114.5 | 97.6 | 167.5 | -82.7 | -33.8 | 0 | 0 | 0 | 110.2 | V60 | D58-V60 VanDerWaalsContact C-N 3.28Å; D58-V60 PolarHBondContact O-N 3Å | ||
| 59 | V | 49.8 | Very low | 52.7 | Low | 139 Ų | 139 | 122.8 Ų | 122.8 | 84% | 0.842 | 68% | 0.684 | S | S | * | * | trans | -95.7 | 59 | 168.5 | -166.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 60 | V | 47.7 | Very low | 53.8 | Low | 116 Ų | 116 | 117.4 Ų | 117.4 | 70% | 0.703 | 67% | 0.665 | S | S | * | * | trans | -100.6 | 110.2 | 165.4 | -171.3 | 0 | 0 | 0 | 0 | 106.5 | D58 C62 | D58-V60 VanDerWaalsContact C-N 3.28Å; D58-V60 PolarHBondContact O-N 3Å; V60-C62 PolarHBondContact O-N 3.4Å | ||
| 61 | P | 54.3 | Low | 55 | Low | 107 Ų | 107 | 115.7 Ų | 115.7 | 70% | 0.695 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -61 | 125.4 | 171.4 | -14 | 27.2 | 0 | 0 | 0 | 107.8 | A63 | P61-A63 PolarHBondContact O-N 2.87Š|
| 62 | C | 57.1 | Low | 56.5 | Low | 123 Ų | 123 | 115.4 Ų | 115.4 | 83% | 0.831 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 128.1 | 162.6 | -67.6 | 0 | 0 | 0 | 0 | 107.5 | V60 A64 | V60-C62 PolarHBondContact O-N 3.4Å; C62-A64 PolarHBondContact O-N 3.46Å |
| 63 | A | 53.6 | Low | 58.2 | Low | 97 Ų | 97 | 117 Ų | 117 | 80% | 0.802 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 122.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 108 | P61 A65 | P61-A63 PolarHBondContact O-N 2.87Å; A63-A65 PolarHBondContact O-N 2.84Å |
| 64 | A | 56.2 | Low | 60 | Low | 83 Ų | 83 | 114.3 Ų | 114.3 | 69% | 0.686 | 65% | 0.649 | S | S | * | * | trans | -55.8 | 110.8 | -169.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | C62 E66 | C62-A64 PolarHBondContact O-N 3.46Å; A64-E66 HydrophobicContact CB-CG 3.81Å; A64-E66 PolarHBondContact O-N 3.33Å | ||
| 65 | A | 56 | Low | 62.1 | Low | 56 Ų | 56 | 112 Ų | 112 | 46% | 0.463 | 64% | 0.644 | S | S | . | * | trans | -78.5 | 41.1 | 176 | 0 | 0 | 0 | 0 | 0 | 110 | A63 E67 S68 D69 | A63-A65 PolarHBondContact O-N 2.84Å; A65-E67 PolarHBondContact O-N 2.84Å; A65-S68 WeakPolarHBondContact CB-OG 3.43Å; A65-S68 PolarHBondContact O-N 3.48Å; A65-S68 PolarHBondContact O-OG 2.82Å; A65-D69 PolarHBondContact O-N 3.23Å | ||
| 66 | E | 57.1 | Low | 64.2 | Low | 152 Ų | 152 | 109.9 Ų | 109.9 | 71% | 0.71 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -61.6 | -28.4 | -177.2 | -62.6 | -141.4 | 149.1 | 0 | 0 | 111.5 | A64 A70 | A64-E66 HydrophobicContact CB-CG 3.81Å; A64-E66 PolarHBondContact O-N 3.33Å; E66-A70 VanDerWaalsContact O-CB 3.26Å; E66-A70 WeakPolarHBondContact O-CB 3.49Å; E66-A70 PolarHBondContact O-N 3.46Å |
| 67 | E | 58 | Low | 66.5 | Low | 176 Ų | 176 | 104.6 Ų | 104.6 | 82% | 0.822 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -71.9 | -35.2 | 176.2 | -160 | 168.7 | -156.2 | 0 | 0 | 112.2 | A65 A71 | A65-E67 PolarHBondContact O-N 2.84Å; E67-A71 PolarHBondContact O-N 3.39Å |
| 68 | S | 62.1 | Low | 68.8 | Low | 59 Ų | 59 | 103.4 Ų | 103.4 | 41% | 0.413 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -75.4 | -37.9 | 174.7 | 64.4 | 0 | 0 | 0 | 0 | 112.2 | A65 A70 A71 V72 | A65-S68 WeakPolarHBondContact CB-OG 3.43Å; A65-S68 PolarHBondContact O-N 3.48Å; A65-S68 PolarHBondContact O-OG 2.82Å; S68-A70 VanDerWaalsContact C-N 3.31Å; S68-A70 PolarHBondContact O-N 2.97Å; S68-A71 PolarHBondContact O-N 3.35Å; S68-V72 VanDerWaalsContact O-CG2 3.28Å; S68-V72 WeakPolarHBondContact O-CG2 3.48Å; S68-V72 PolarHBondContact O-N 3Å |
| 69 | D | 70.1 | Confident | 71.2 | Confident | 98 Ų | 98 | 101.2 Ų | 101.2 | 52% | 0.524 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -70.4 | -30 | 178.1 | -77.5 | 4.7 | 0 | 0 | 0 | 112.1 | A65 R73 | A65-D69 PolarHBondContact O-N 3.23Å; D69-R73 VanDerWaalsContact O-CB 3.28Å; D69-R73 WeakPolarHBondContact O-CB 3.26Å; D69-R73 PolarHBondContact O-N 3.45Å; D69-R73 PolarHBondContact O-NH2 2.94Å |
| 70 | A | 74.8 | Confident | 73.4 | Confident | 36 Ų | 36 | 100.2 Ų | 100.2 | 30% | 0.298 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -67 | -47 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | E66 S68 V72 R73 D74 | E66-A70 VanDerWaalsContact O-CB 3.26Å; E66-A70 WeakPolarHBondContact O-CB 3.49Å; E66-A70 PolarHBondContact O-N 3.46Å; S68-A70 VanDerWaalsContact C-N 3.31Å; S68-A70 PolarHBondContact O-N 2.97Å; A70-V72 PolarHBondContact O-N 3.34Å; A70-R73 PolarHBondContact O-N 3.5Å; A70-D74 PolarHBondContact O-N 3.47Å |
| 71 | A | 76.8 | Confident | 75.6 | Confident | 52 Ų | 52 | 99 Ų | 99 | 43% | 0.43 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -61.4 | -43.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | E67 S68 R73 D74 D75 | E67-A71 PolarHBondContact O-N 3.39Å; S68-A71 PolarHBondContact O-N 3.35Å; A71-R73 VanDerWaalsContact C-N 3.32Å; A71-R73 PolarHBondContact O-N 2.95Å; A71-D74 PolarHBondContact O-N 2.92Å; A71-D75 PolarHBondContact O-N 3.14Å |
| 72 | V | 84.7 | Confident | 77.6 | Confident | 98 Ų | 98 | 99.7 Ų | 99.7 | 59% | 0.594 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.7 | -37.2 | 177.8 | 172.4 | 0 | 0 | 0 | 0 | 111.7 | S68 A70 F76 | S68-V72 VanDerWaalsContact O-CG2 3.28Å; S68-V72 WeakPolarHBondContact O-CG2 3.48Å; S68-V72 PolarHBondContact O-N 3Å; A70-V72 PolarHBondContact O-N 3.34Å; V72-F76 WeakPolarHBondContact O-CB 3.38Å; V72-F76 PolarHBondContact O-N 3.21Å |
| 73 | R | 85.6 | Confident | 79.4 | Confident | 141 Ų | 141 | 96.7 Ų | 96.7 | 53% | 0.532 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -68.4 | -39.7 | 177 | 174.3 | 167.1 | 42 | -110.5 | -5.8 | 112 | D69 A70 A71 F76 I77 | D69-R73 VanDerWaalsContact O-CB 3.28Å; D69-R73 WeakPolarHBondContact O-CB 3.26Å; D69-R73 PolarHBondContact O-N 3.45Å; D69-R73 PolarHBondContact O-NH2 2.94Å; A70-R73 PolarHBondContact O-N 3.5Å; A71-R73 VanDerWaalsContact C-N 3.32Å; A71-R73 PolarHBondContact O-N 2.95Å; R73-F76 PolarHBondContact O-N 3.25Å; R73-I77 HydrophobicContact CG-CD1 4.13Å; R73-I77 VanDerWaalsContact O-CG1 3.28Å; R73-I77 WeakPolarHBondContact O-CG1 3.27Å; R73-I77 PolarHBondContact O-N 3.26Å |
| 74 | D | 89.3 | Confident | 81.4 | Confident | 93 Ų | 93 | 95.5 Ų | 95.5 | 50% | 0.497 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.8 | -43.7 | 175.5 | -74.4 | -9.8 | 0 | 0 | 0 | 111.2 | A70 A71 F76 I77 I78 | A70-D74 PolarHBondContact O-N 3.47Å; A71-D74 PolarHBondContact O-N 2.92Å; D74-F76 VanDerWaalsContact C-N 3.31Å; D74-F76 PolarHBondContact O-N 2.97Å; D74-I77 PolarHBondContact O-N 3.43Å; D74-I77 VanDerWaalsContact O-N 3.16Å; D74-I78 VanDerWaalsContact O-CG1 3.3Å; D74-I78 WeakPolarHBondContact O-CG1 3.49Å; D74-I78 PolarHBondContact O-N 3.31Å |
| 75 | D | 90.1 | Very high | 83.4 | Confident | 105 Ų | 105 | 95.4 Ų | 95.4 | 56% | 0.561 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.7 | -39.2 | 174.1 | -83.7 | -2.8 | 0 | 0 | 0 | 112.4 | A71 I78 T79 | A71-D75 PolarHBondContact O-N 3.14Å; D75-I78 PolarHBondContact O-N 2.9Å; D75-T79 WeakPolarHBondContact O-CB 3.38Å; D75-T79 PolarHBondContact O-N 2.97Å; D75-T79 PolarHBondContact O-OG1 2.9Å |
| 76 | F | 91.4 | Very high | 85.3 | Confident | 148 Ų | 148 | 94.9 Ų | 94.9 | 65% | 0.649 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.2 | -40.2 | 175.1 | -175.5 | -99.4 | 0 | 0 | 0 | 112.2 | V72 R73 D74 T79 K80 | V72-F76 WeakPolarHBondContact O-CB 3.38Å; V72-F76 PolarHBondContact O-N 3.21Å; R73-F76 PolarHBondContact O-N 3.25Å; D74-F76 VanDerWaalsContact C-N 3.31Å; D74-F76 PolarHBondContact O-N 2.97Å; F76-T79 PolarHBondContact O-N 3.47Å; F76-K80 WeakPolarHBondContact O-CB 3.47Å; F76-K80 PolarHBondContact O-N 3.02Å |
| 77 | I | 93.1 | Very high | 87.2 | Confident | 81 Ų | 81 | 90.3 Ų | 90.3 | 42% | 0.415 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.3 | -45.7 | 176.2 | -69.9 | 164.6 | 0 | 0 | 0 | 110.5 | R73 D74 K80 L81 | R73-I77 HydrophobicContact CG-CD1 4.13Å; R73-I77 VanDerWaalsContact O-CG1 3.28Å; R73-I77 WeakPolarHBondContact O-CG1 3.27Å; R73-I77 PolarHBondContact O-N 3.26Å; D74-I77 PolarHBondContact O-N 3.43Å; D74-I77 VanDerWaalsContact O-N 3.16Å; I77-K80 PolarHBondContact O-N 3.48Å; I77-L81 HydrophobicContact CG2-CD1 3.8Å; I77-L81 WeakPolarHBondContact O-CD1 3.35Å; I77-L81 WeakPolarHBondContact O-CG 3.45Å; I77-L81 PolarHBondContact O-N 3.42Å |
| 78 | I | 94.4 | Very high | 88.9 | Confident | 83 Ų | 83 | 88.2 Ų | 88.2 | 43% | 0.426 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.8 | -46.9 | 177.4 | -67.3 | 164.9 | 0 | 0 | 0 | 110.3 | D74 D75 K80 L81 Q82 | D74-I78 VanDerWaalsContact O-CG1 3.3Å; D74-I78 WeakPolarHBondContact O-CG1 3.49Å; D74-I78 PolarHBondContact O-N 3.31Å; D75-I78 PolarHBondContact O-N 2.9Å; I78-K80 VanDerWaalsContact C-N 3.33Å; I78-K80 PolarHBondContact O-N 3.38Å; I78-L81 PolarHBondContact O-N 2.98Å; I78-Q82 HydrophobicContact CG2-CG 4.39Å; I78-Q82 WeakPolarHBondContact O-CB 3.4Å; I78-Q82 VanDerWaalsContact O-CG 3.32Å; I78-Q82 WeakPolarHBondContact O-CG 3.29Å; I78-Q82 PolarHBondContact O-N 3.3Å |
| 79 | T | 93.3 | Very high | 90.6 | Very high | 83 Ų | 83 | 91.2 Ų | 91.2 | 51% | 0.509 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63 | -40.8 | 179.7 | -55.5 | 0 | 0 | 0 | 0 | 111.5 | D75 F76 Q82 A83 | D75-T79 WeakPolarHBondContact O-CB 3.38Å; D75-T79 PolarHBondContact O-N 2.97Å; D75-T79 PolarHBondContact O-OG1 2.9Å; F76-T79 PolarHBondContact O-N 3.47Å; T79-Q82 PolarHBondContact O-N 2.98Å; T79-A83 WeakPolarHBondContact O-CB 3.4Å; T79-A83 PolarHBondContact O-N 3.43Å |
| 80 | K | 95.2 | Very high | 91.8 | Very high | 118 Ų | 118 | 92.2 Ų | 92.2 | 51% | 0.513 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.6 | -47.5 | 175.1 | -179.5 | -175.9 | 171.7 | -174.6 | 0 | 111.5 | F76 I77 I78 Q82 A83 E84 | F76-K80 WeakPolarHBondContact O-CB 3.47Å; F76-K80 PolarHBondContact O-N 3.02Å; I77-K80 PolarHBondContact O-N 3.48Å; I78-K80 VanDerWaalsContact C-N 3.33Å; I78-K80 PolarHBondContact O-N 3.38Å; K80-Q82 VanDerWaalsContact C-N 3.35Å; K80-Q82 PolarHBondContact O-N 3.25Å; K80-A83 PolarHBondContact O-N 3.13Å; K80-E84 WeakPolarHBondContact CE-OE1 3.4Å; K80-E84 IonicContact NZ-OE1 2.78Å; K80-E84 WeakPolarHBondContact O-CG 3.29Å; K80-E84 PolarHBondContact O-N 2.94Å |
| 81 | L | 95.1 | Very high | 92.8 | Very high | 89 Ų | 89 | 95.5 Ų | 95.5 | 47% | 0.466 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.7 | -45.5 | 177.2 | -79.8 | 156.4 | 0 | 0 | 0 | 111.3 | I77 I78 A83 E84 D85 | I77-L81 HydrophobicContact CG2-CD1 3.8Å; I77-L81 WeakPolarHBondContact O-CD1 3.35Å; I77-L81 WeakPolarHBondContact O-CG 3.45Å; I77-L81 PolarHBondContact O-N 3.42Å; I78-L81 PolarHBondContact O-N 2.98Å; L81-A83 VanDerWaalsContact C-N 3.34Å; L81-A83 PolarHBondContact O-N 3.07Å; L81-E84 PolarHBondContact O-N 3.17Å; L81-D85 WeakPolarHBondContact O-CB 3.41Å; L81-D85 PolarHBondContact O-N 3.03Å |
| 82 | Q | 95.1 | Very high | 93.6 | Very high | 122 Ų | 122 | 94.4 Ų | 94.4 | 57% | 0.57 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.3 | -40.9 | 176 | -73.5 | 176.7 | -11.8 | 0 | 0 | 112.5 | I78 T79 K80 D85 A86 | I78-Q82 HydrophobicContact CG2-CG 4.39Å; I78-Q82 WeakPolarHBondContact O-CB 3.4Å; I78-Q82 VanDerWaalsContact O-CG 3.32Å; I78-Q82 WeakPolarHBondContact O-CG 3.29Å; I78-Q82 PolarHBondContact O-N 3.3Å; T79-Q82 PolarHBondContact O-N 2.98Å; K80-Q82 VanDerWaalsContact C-N 3.35Å; K80-Q82 PolarHBondContact O-N 3.25Å; Q82-D85 PolarHBondContact O-N 2.99Å; Q82-A86 VanDerWaalsContact O-CB 3.27Å; Q82-A86 WeakPolarHBondContact O-CB 3.39Å; Q82-A86 PolarHBondContact O-N 3.43Å |
| 83 | A | 95.6 | Very high | 94 | Very high | 61 Ų | 61 | 94.6 Ų | 94.6 | 50% | 0.504 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.1 | -41.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | T79 K80 L81 A87 | T79-A83 WeakPolarHBondContact O-CB 3.4Å; T79-A83 PolarHBondContact O-N 3.43Å; K80-A83 PolarHBondContact O-N 3.13Å; L81-A83 VanDerWaalsContact C-N 3.34Å; L81-A83 PolarHBondContact O-N 3.07Å; A83-A87 WeakPolarHBondContact O-CB 3.47Å; A83-A87 PolarHBondContact O-N 2.86Å |
| 84 | E | 96.4 | Very high | 94.2 | Very high | 71 Ų | 71 | 89.7 Ų | 89.7 | 33% | 0.332 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.7 | -41.8 | 175 | -72.4 | -176.5 | -166.4 | 0 | 0 | 112.2 | K80 L81 A87 R88 | K80-E84 WeakPolarHBondContact CE-OE1 3.4Å; K80-E84 IonicContact NZ-OE1 2.78Å; K80-E84 WeakPolarHBondContact O-CG 3.29Å; K80-E84 PolarHBondContact O-N 2.94Å; L81-E84 PolarHBondContact O-N 3.17Å; E84-A87 WeakPolarHBondContact O-CB 3.28Å; E84-A87 PolarHBondContact O-N 3.47Å; E84-R88 WeakPolarHBondContact O-CG 3.29Å; E84-R88 PolarHBondContact O-N 2.93Å; E84-R88 IonicContact OE2-CZ 3.85Å; E84-R88 IonicContact OE2-NH1 3.83Å; E84-R88 IonicContact OE2-NH2 2.7Å; E84-R88 PolarHBondContact OE2-NH2 3.27Å |
| 85 | D | 97.2 | Very high | 94.1 | Very high | 81 Ų | 81 | 92.3 Ų | 92.3 | 43% | 0.433 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.5 | -39.8 | 177.4 | -77.4 | -13.4 | 0 | 0 | 0 | 111.9 | L81 Q82 A87 R88 L89 | L81-D85 WeakPolarHBondContact O-CB 3.41Å; L81-D85 PolarHBondContact O-N 3.03Å; Q82-D85 PolarHBondContact O-N 2.99Å; D85-A87 VanDerWaalsContact C-N 3.31Å; D85-A87 PolarHBondContact O-N 2.91Å; D85-R88 PolarHBondContact O-N 2.93Å; D85-R88 IonicContact OD1-CZ 4Å; D85-R88 IonicContact OD1-NH1 2.97Å; D85-R88 PolarHBondContact OD1-NH1 3.48Å; D85-L89 WeakPolarHBondContact O-CB 3.48Å; D85-L89 WeakPolarHBondContact O-CG 3.43Å; D85-L89 PolarHBondContact O-N 3.4Å |
| 86 | A | 96.5 | Very high | 93.9 | Very high | 45 Ų | 45 | 89.8 Ų | 89.8 | 37% | 0.372 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.8 | -41.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q82 L89 L90 | Q82-A86 VanDerWaalsContact O-CB 3.27Å; Q82-A86 WeakPolarHBondContact O-CB 3.39Å; Q82-A86 PolarHBondContact O-N 3.43Å; A86-L89 PolarHBondContact O-N 3.35Å; A86-L90 WeakPolarHBondContact O-CB 3.46Å; A86-L90 VanDerWaalsContact O-CG 3.24Å; A86-L90 WeakPolarHBondContact O-CG 3.4Å; A86-L90 PolarHBondContact O-N 2.9Å |
| 87 | A | 95.7 | Very high | 93.5 | Very high | 56 Ų | 56 | 86.2 Ų | 86.2 | 46% | 0.463 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.8 | -44.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A83 E84 D85 L89 L90 E91 | A83-A87 WeakPolarHBondContact O-CB 3.47Å; A83-A87 PolarHBondContact O-N 2.86Å; E84-A87 WeakPolarHBondContact O-CB 3.28Å; E84-A87 PolarHBondContact O-N 3.47Å; D85-A87 VanDerWaalsContact C-N 3.31Å; D85-A87 PolarHBondContact O-N 2.91Å; A87-L89 PolarHBondContact O-N 2.68Å; A87-L90 PolarHBondContact O-N 3.32Å; A87-E91 WeakPolarHBondContact O-CB 3.34Å; A87-E91 PolarHBondContact O-N 3.15Å |
| 88 | R | 95.1 | Very high | 92.9 | Very high | 133 Ų | 133 | 84.6 Ų | 84.6 | 50% | 0.502 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.8 | -40.4 | 175.9 | -68.6 | 173.4 | -169.1 | 114.1 | 11 | 112.1 | E84 D85 E91 G92 | E84-R88 WeakPolarHBondContact O-CG 3.29Å; E84-R88 PolarHBondContact O-N 2.93Å; E84-R88 IonicContact OE2-CZ 3.85Å; E84-R88 IonicContact OE2-NH1 3.83Å; E84-R88 IonicContact OE2-NH2 2.7Å; E84-R88 PolarHBondContact OE2-NH2 3.27Å; D85-R88 PolarHBondContact O-N 2.93Å; D85-R88 IonicContact OD1-CZ 4Å; D85-R88 IonicContact OD1-NH1 2.97Å; D85-R88 PolarHBondContact OD1-NH1 3.48Å; R88-E91 PolarHBondContact O-N 2.9Å; R88-G92 PolarHBondContact O-N 3.44Å |
| 89 | L | 96.9 | Very high | 92.1 | Very high | 121 Ų | 121 | 87.5 Ų | 87.5 | 63% | 0.634 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -65.3 | -45.4 | 176.1 | -75.6 | 173.7 | 0 | 0 | 0 | 111.7 | D85 A86 A87 E91 G92 I93 | D85-L89 WeakPolarHBondContact O-CB 3.48Å; D85-L89 WeakPolarHBondContact O-CG 3.43Å; D85-L89 PolarHBondContact O-N 3.4Å; A86-L89 PolarHBondContact O-N 3.35Å; A87-L89 PolarHBondContact O-N 2.68Å; L89-E91 VanDerWaalsContact C-N 3.32Å; L89-E91 PolarHBondContact O-N 3.1Å; L89-G92 WeakPolarHBondContact O-CA 3.42Å; L89-G92 PolarHBondContact O-N 3.15Å; L89-G92 VanDerWaalsContact O-N 3.13Å; L89-I93 WeakPolarHBondContact O-CG1 3.36Å; L89-I93 PolarHBondContact O-N 2.9Å |
| 90 | L | 96.1 | Very high | 91.3 | Very high | 119 Ų | 119 | 89.5 Ų | 89.5 | 62% | 0.623 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.9 | -37.3 | 177.1 | -72.8 | 172.6 | 0 | 0 | 0 | 111.8 | A86 A87 I93 G94 | A86-L90 WeakPolarHBondContact O-CB 3.46Å; A86-L90 VanDerWaalsContact O-CG 3.24Å; A86-L90 WeakPolarHBondContact O-CG 3.4Å; A86-L90 PolarHBondContact O-N 2.9Å; A87-L90 PolarHBondContact O-N 3.32Å; L90-I93 PolarHBondContact O-N 2.94Å; L90-G94 PolarHBondContact O-N 3.41Å |
| 91 | E | 94.8 | Very high | 90.1 | Very high | 105 Ų | 105 | 88.5 Ų | 88.5 | 49% | 0.491 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65 | -39.9 | 171.8 | -168.7 | -167.5 | 156.1 | 0 | 0 | 111.6 | A87 R88 L89 G94 R95 | A87-E91 WeakPolarHBondContact O-CB 3.34Å; A87-E91 PolarHBondContact O-N 3.15Å; R88-E91 PolarHBondContact O-N 2.9Å; L89-E91 VanDerWaalsContact C-N 3.32Å; L89-E91 PolarHBondContact O-N 3.1Å; E91-G94 PolarHBondContact O-N 2.91Å; E91-R95 WeakPolarHBondContact O-CG 3.47Å; E91-R95 PolarHBondContact O-N 2.88Å; E91-R95 IonicContact OE1-CZ 2.65Å; E91-R95 IonicContact OE1-NH1 3.6Å; E91-R95 PolarHBondContact OE1-NH1 3Å; E91-R95 IonicContact OE1-NH2 3.37Å |
| 92 | G | 93.4 | Very high | 88.7 | Confident | 30 Ų | 30 | 89.8 Ų | 89.8 | 31% | 0.309 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.3 | -47.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | R88 L89 R95 A96 | R88-G92 PolarHBondContact O-N 3.44Å; L89-G92 WeakPolarHBondContact O-CA 3.42Å; L89-G92 PolarHBondContact O-N 3.15Å; L89-G92 VanDerWaalsContact O-N 3.13Å; G92-R95 PolarHBondContact O-N 3.44Å; G92-A96 PolarHBondContact O-N 3.15Å |
| 93 | I | 93.3 | Very high | 87.1 | Confident | 101 Ų | 101 | 85.9 Ų | 85.9 | 52% | 0.518 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.1 | -44 | 175.1 | -66.3 | 169.2 | 0 | 0 | 0 | 110.1 | L89 L90 R95 A96 V97 | L89-I93 WeakPolarHBondContact O-CG1 3.36Å; L89-I93 PolarHBondContact O-N 2.9Å; L90-I93 PolarHBondContact O-N 2.94Å; I93-R95 VanDerWaalsContact C-N 3.33Å; I93-R95 PolarHBondContact O-N 3.3Å; I93-A96 PolarHBondContact O-N 2.94Å; I93-V97 HydrophobicContact CG2-CG2 4.12Å; I93-V97 WeakPolarHBondContact O-CB 3.46Å; I93-V97 VanDerWaalsContact O-CG2 3.3Å; I93-V97 WeakPolarHBondContact O-CG2 3.38Å; I93-V97 PolarHBondContact O-N 2.74Å |
| 94 | G | 89.5 | Confident | 85.5 | Confident | 39 Ų | 39 | 89.4 Ų | 89.4 | 40% | 0.402 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58.8 | -42.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L90 E91 A98 | L90-G94 PolarHBondContact O-N 3.41Å; E91-G94 PolarHBondContact O-N 2.91Å; G94-A98 VanDerWaalsContact O-CB 3.24Å; G94-A98 WeakPolarHBondContact O-CB 3.41Å; G94-A98 PolarHBondContact O-N 2.78Å |
| 95 | R | 87.5 | Confident | 84 | Confident | 147 Ų | 147 | 91.1 Ų | 91.1 | 56% | 0.555 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.9 | -41 | 174.1 | -76.8 | -170.6 | -70.3 | -121.4 | -9.5 | 113 | E91 G92 I93 A98 H99 | E91-R95 WeakPolarHBondContact O-CG 3.47Å; E91-R95 PolarHBondContact O-N 2.88Å; E91-R95 IonicContact OE1-CZ 2.65Å; E91-R95 IonicContact OE1-NH1 3.6Å; E91-R95 PolarHBondContact OE1-NH1 3Å; E91-R95 IonicContact OE1-NH2 3.37Å; G92-R95 PolarHBondContact O-N 3.44Å; I93-R95 VanDerWaalsContact C-N 3.33Å; I93-R95 PolarHBondContact O-N 3.3Å; R95-A98 PolarHBondContact O-N 2.98Å; R95-H99 WeakPolarHBondContact O-CB 3.34Å; R95-H99 PolarHBondContact O-N 2.87Å |
| 96 | A | 86 | Confident | 82.8 | Confident | 52 Ų | 52 | 91.1 Ų | 91.1 | 43% | 0.43 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.9 | -46.7 | 178 | 0 | 0 | 0 | 0 | 0 | 111.3 | G92 I93 A98 H99 D100 | G92-A96 PolarHBondContact O-N 3.15Å; I93-A96 PolarHBondContact O-N 2.94Å; A96-A98 PolarHBondContact O-N 3.28Å; A96-H99 PolarHBondContact O-N 3.11Å; A96-D100 PolarHBondContact O-N 2.93Å |
| 97 | V | 83.9 | Confident | 81.9 | Confident | 74 Ų | 74 | 96 Ų | 96 | 45% | 0.448 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.4 | -43.6 | 175.9 | 172.6 | 0 | 0 | 0 | 0 | 111 | I93 H99 D100 L101 | I93-V97 HydrophobicContact CG2-CG2 4.12Å; I93-V97 WeakPolarHBondContact O-CB 3.46Å; I93-V97 VanDerWaalsContact O-CG2 3.3Å; I93-V97 WeakPolarHBondContact O-CG2 3.38Å; I93-V97 PolarHBondContact O-N 2.74Å; V97-H99 VanDerWaalsContact C-N 3.34Å; V97-H99 PolarHBondContact O-N 3.38Å; V97-D100 PolarHBondContact O-N 3.37Å; V97-L101 HydrophobicContact CG1-CD1 3.69Å; V97-L101 HydrophobicContact CG1-CG 4.25Å; V97-L101 WeakPolarHBondContact O-CB 3.4Å; V97-L101 VanDerWaalsContact O-CG 3.23Å; V97-L101 WeakPolarHBondContact O-CG 3.46Å; V97-L101 PolarHBondContact O-N 2.98Å |
| 98 | A | 80.2 | Confident | 81.4 | Confident | 47 Ų | 47 | 94.8 Ų | 94.8 | 39% | 0.388 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.7 | -43.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | G94 R95 A96 D100 L101 D102 | G94-A98 VanDerWaalsContact O-CB 3.24Å; G94-A98 WeakPolarHBondContact O-CB 3.41Å; G94-A98 PolarHBondContact O-N 2.78Å; R95-A98 PolarHBondContact O-N 2.98Å; A96-A98 PolarHBondContact O-N 3.28Å; A98-D100 PolarHBondContact O-N 2.91Å; A98-L101 PolarHBondContact O-N 3.39Å; A98-D102 WeakPolarHBondContact O-CB 3.34Å; A98-D102 VanDerWaalsContact O-CG 3.3Å; A98-D102 PolarHBondContact O-N 3.34Å |
| 99 | H | 77.4 | Confident | 80.9 | Confident | 143 Ų | 143 | 95.1 Ų | 95.1 | 66% | 0.662 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.3 | -37.9 | 177.6 | -175.9 | -77 | 0 | 0 | 0 | 112.7 | R95 A96 V97 | R95-H99 WeakPolarHBondContact O-CB 3.34Å; R95-H99 PolarHBondContact O-N 2.87Å; A96-H99 PolarHBondContact O-N 3.11Å; V97-H99 VanDerWaalsContact C-N 3.34Å; V97-H99 PolarHBondContact O-N 3.38Å |
| 100 | D | 76.6 | Confident | 80.5 | Confident | 126 Ų | 126 | 94.5 Ų | 94.5 | 67% | 0.674 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -69.2 | -35.9 | 176.3 | -74.6 | -12.3 | 0 | 0 | 0 | 111.8 | A96 V97 A98 | A96-D100 PolarHBondContact O-N 2.93Å; V97-D100 PolarHBondContact O-N 3.37Å; A98-D100 PolarHBondContact O-N 2.91Å |
| 101 | L | 70.4 | Confident | 80.2 | Confident | 97 Ų | 97 | 92.1 Ų | 92.1 | 51% | 0.508 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -79 | -27.9 | 177.5 | -65.4 | 176.3 | 0 | 0 | 0 | 113.3 | V97 A98 G103 E104 | V97-L101 HydrophobicContact CG1-CD1 3.69Å; V97-L101 HydrophobicContact CG1-CG 4.25Å; V97-L101 WeakPolarHBondContact O-CB 3.4Å; V97-L101 VanDerWaalsContact O-CG 3.23Å; V97-L101 WeakPolarHBondContact O-CG 3.46Å; V97-L101 PolarHBondContact O-N 2.98Å; A98-L101 PolarHBondContact O-N 3.39Å; L101-G103 PolarHBondContact O-N 3.48Å; L101-E104 WeakPolarHBondContact O-CB 3.38Å; L101-E104 PolarHBondContact O-N 3.03Å |
| 102 | D | 65.8 | Low | 80.1 | Confident | 115 Ų | 115 | 93 Ų | 93 | 62% | 0.615 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.6 | -22.4 | 172.8 | -83.4 | -21.9 | 0 | 0 | 0 | 112.2 | A98 | A98-D102 WeakPolarHBondContact O-CB 3.34Å; A98-D102 VanDerWaalsContact O-CG 3.3Å; A98-D102 PolarHBondContact O-N 3.34Å |
| 103 | G | 62.1 | Low | 80.2 | Confident | 40 Ų | 40 | 97.5 Ų | 97.5 | 41% | 0.412 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -69 | -28.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | L101 S106 Y107 | L101-G103 PolarHBondContact O-N 3.48Å; G103-S106 WeakPolarHBondContact O-CB 3.4Å; G103-S106 PolarHBondContact O-N 2.93Å; G103-Y107 PolarHBondContact O-N 3.39Å |
| 104 | E | 61.5 | Low | 80.2 | Confident | 136 Ų | 136 | 95.9 Ų | 95.9 | 64% | 0.636 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67.7 | -44.2 | -178.6 | -168.5 | 176.6 | 177.3 | 0 | 0 | 111.3 | L101 S106 Y107 G108 | L101-E104 WeakPolarHBondContact O-CB 3.38Å; L101-E104 PolarHBondContact O-N 3.03Å; E104-S106 VanDerWaalsContact C-N 3.25Å; E104-S106 PolarHBondContact O-N 3.36Å; E104-Y107 PolarHBondContact O-N 3.41Å; E104-G108 PolarHBondContact O-N 3.43Å |
| 105 | D | 63.5 | Low | 80.6 | Confident | 107 Ų | 107 | 99.4 Ų | 99.4 | 57% | 0.572 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.2 | -29.7 | 174.9 | -97 | 2.6 | 0 | 0 | 0 | 112.7 | K109 | D105-K109 WeakPolarHBondContact O-CB 3.27Å; D105-K109 VanDerWaalsContact O-CD 3.29Å; D105-K109 WeakPolarHBondContact O-CD 3.38Å; D105-K109 WeakPolarHBondContact O-CG 3.38Å; D105-K109 PolarHBondContact O-N 2.87Å |
| 106 | S | 72.8 | Confident | 81 | Confident | 80 Ų | 80 | 95.5 Ų | 95.5 | 56% | 0.559 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -75.5 | -45.4 | 177.2 | -173.5 | 0 | 0 | 0 | 0 | 111.8 | G103 E104 K109 F110 | G103-S106 WeakPolarHBondContact O-CB 3.4Å; G103-S106 PolarHBondContact O-N 2.93Å; E104-S106 VanDerWaalsContact C-N 3.25Å; E104-S106 PolarHBondContact O-N 3.36Å; S106-K109 PolarHBondContact O-N 2.91Å; S106-F110 WeakPolarHBondContact O-CB 3.31Å; S106-F110 PolarHBondContact O-N 2.92Å |
| 107 | Y | 77.8 | Confident | 81.6 | Confident | 147 Ų | 147 | 97.1 Ų | 97.1 | 58% | 0.576 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -68.6 | -40.1 | 178.9 | -171.4 | -114.8 | 0 | 0 | 0 | 111.8 | G103 E104 K109 F110 L111 | G103-Y107 PolarHBondContact O-N 3.39Å; E104-Y107 PolarHBondContact O-N 3.41Å; Y107-K109 PolarHBondContact O-N 3.28Å; Y107-F110 HydrophobicContact CD2-CD1 4.43Å; Y107-F110 HydrophobicContact CE2-CD1 4.38Å; Y107-F110 WeakPolarHBondContact O-CB 3.24Å; Y107-F110 PolarHBondContact O-N 2.98Å; Y107-L111 HydrophobicContact CD1-CD1 3.79Å; Y107-L111 HydrophobicContact CD1-CG 4.16Å; Y107-L111 HydrophobicContact CE1-CD1 3.41Å; Y107-L111 VanDerWaalsContact CE1-CD1 3.41Å; Y107-L111 HydrophobicContact CE1-CD2 4.22Å; Y107-L111 HydrophobicContact CE1-CG 3.86Å; Y107-L111 HydrophobicContact CE2-CD2 4.27Å; Y107-L111 HydrophobicContact CE2-CG 4.31Å; Y107-L111 WeakPolarHBondContact O-CG 3.29Å; Y107-L111 PolarHBondContact O-N 3.09Å |
| 108 | G | 84.3 | Confident | 82.2 | Confident | 31 Ų | 31 | 97.7 Ų | 97.7 | 32% | 0.32 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.4 | -45.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | E104 L111 L112 | E104-G108 PolarHBondContact O-N 3.43Å; G108-L111 PolarHBondContact O-N 3.47Å; G108-L112 WeakPolarHBondContact O-CG 3.29Å; G108-L112 PolarHBondContact O-N 3.06Å |
| 109 | K | 86.2 | Confident | 83 | Confident | 140 Ų | 140 | 97.4 Ų | 97.4 | 61% | 0.609 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.6 | -40.4 | 174.9 | -74.3 | 169.4 | -169.8 | 160.2 | 0 | 112.3 | D105 S106 Y107 K113 | D105-K109 WeakPolarHBondContact O-CB 3.27Å; D105-K109 VanDerWaalsContact O-CD 3.29Å; D105-K109 WeakPolarHBondContact O-CD 3.38Å; D105-K109 WeakPolarHBondContact O-CG 3.38Å; D105-K109 PolarHBondContact O-N 2.87Å; S106-K109 PolarHBondContact O-N 2.91Å; Y107-K109 PolarHBondContact O-N 3.28Å; K109-K113 WeakPolarHBondContact O-CB 3.49Å; K109-K113 PolarHBondContact O-N 2.89Å |
| 110 | F | 86.9 | Confident | 83.9 | Confident | 109 Ų | 109 | 96.7 Ų | 96.7 | 48% | 0.478 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.3 | -48.4 | 174.8 | 175.5 | -96.8 | 0 | 0 | 0 | 111.4 | S106 Y107 L112 K113 E114 | S106-F110 WeakPolarHBondContact O-CB 3.31Å; S106-F110 PolarHBondContact O-N 2.92Å; Y107-F110 HydrophobicContact CD2-CD1 4.43Å; Y107-F110 HydrophobicContact CE2-CD1 4.38Å; Y107-F110 WeakPolarHBondContact O-CB 3.24Å; Y107-F110 PolarHBondContact O-N 2.98Å; F110-L112 PolarHBondContact O-N 3.35Å; F110-K113 WeakPolarHBondContact O-CB 3.25Å; F110-K113 PolarHBondContact O-N 3.49Å; F110-K113 VanDerWaalsContact O-N 3.17Å; F110-E114 HydrophobicContact CD1-CG 4.2Å; F110-E114 HydrophobicContact CE1-CG 3.65Å; F110-E114 HydrophobicContact CE2-CG 4.05Å; F110-E114 HydrophobicContact CZ-CG 3.56Å; F110-E114 PolarHBondContact O-N 2.88Å |
| 111 | L | 90 | Very high | 84.9 | Confident | 69 Ų | 69 | 93.3 Ų | 93.3 | 36% | 0.361 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.9 | -43.6 | 177.6 | -72.8 | -178.6 | 0 | 0 | 0 | 112.5 | Y107 G108 K113 E114 I115 | Y107-L111 HydrophobicContact CD1-CD1 3.79Å; Y107-L111 HydrophobicContact CD1-CG 4.16Å; Y107-L111 HydrophobicContact CE1-CD1 3.41Å; Y107-L111 VanDerWaalsContact CE1-CD1 3.41Å; Y107-L111 HydrophobicContact CE1-CD2 4.22Å; Y107-L111 HydrophobicContact CE1-CG 3.86Å; Y107-L111 HydrophobicContact CE2-CD2 4.27Å; Y107-L111 HydrophobicContact CE2-CG 4.31Å; Y107-L111 WeakPolarHBondContact O-CG 3.29Å; Y107-L111 PolarHBondContact O-N 3.09Å; G108-L111 PolarHBondContact O-N 3.47Å; L111-K113 VanDerWaalsContact C-N 3.28Å; L111-K113 PolarHBondContact O-N 3.4Å; L111-E114 PolarHBondContact O-N 3.29Å; L111-I115 WeakPolarHBondContact O-CB 3.5Å; L111-I115 VanDerWaalsContact O-CG1 3.24Å; L111-I115 WeakPolarHBondContact O-CG1 3.29Å; L111-I115 PolarHBondContact O-N 3.43Å |
| 112 | L | 93.1 | Very high | 86.2 | Confident | 123 Ų | 123 | 95.1 Ų | 95.1 | 64% | 0.644 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.8 | -39.4 | 176.1 | -73.5 | 171.5 | 0 | 0 | 0 | 111.8 | G108 F110 S116 | G108-L112 WeakPolarHBondContact O-CG 3.29Å; G108-L112 PolarHBondContact O-N 3.06Å; F110-L112 PolarHBondContact O-N 3.35Å; L112-S116 PolarHBondContact O-N 2.93Å |
| 113 | K | 94.6 | Very high | 87.7 | Confident | 125 Ų | 125 | 92.2 Ų | 92.2 | 54% | 0.543 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.7 | -46 | 175.4 | -175.5 | -178.4 | 176.6 | -174.9 | 0 | 111.7 | K109 F110 L111 S116 Q117 | K109-K113 WeakPolarHBondContact O-CB 3.49Å; K109-K113 PolarHBondContact O-N 2.89Å; F110-K113 WeakPolarHBondContact O-CB 3.25Å; F110-K113 PolarHBondContact O-N 3.49Å; F110-K113 VanDerWaalsContact O-N 3.17Å; L111-K113 VanDerWaalsContact C-N 3.28Å; L111-K113 PolarHBondContact O-N 3.4Å; K113-S116 WeakPolarHBondContact O-CB 3.48Å; K113-S116 PolarHBondContact O-N 3.4Å; K113-Q117 WeakPolarHBondContact O-CG 3.38Å; K113-Q117 PolarHBondContact O-N 3.29Å |
| 114 | E | 94.9 | Very high | 89.4 | Confident | 66 Ų | 66 | 93.7 Ų | 93.7 | 31% | 0.308 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61 | -44.3 | 176.4 | -76.1 | -63.4 | 147 | 0 | 0 | 111.6 | F110 L111 S116 Q117 I118 | F110-E114 HydrophobicContact CD1-CG 4.2Å; F110-E114 HydrophobicContact CE1-CG 3.65Å; F110-E114 HydrophobicContact CE2-CG 4.05Å; F110-E114 HydrophobicContact CZ-CG 3.56Å; F110-E114 PolarHBondContact O-N 2.88Å; L111-E114 PolarHBondContact O-N 3.29Å; E114-S116 VanDerWaalsContact C-N 3.29Å; E114-S116 PolarHBondContact O-N 3.07Å; E114-Q117 PolarHBondContact O-N 3.25Å; E114-I118 WeakPolarHBondContact O-CB 3.36Å; E114-I118 VanDerWaalsContact O-CG1 3.24Å; E114-I118 WeakPolarHBondContact O-CG1 3.42Å; E114-I118 PolarHBondContact O-N 2.87Å |
| 115 | I | 96.4 | Very high | 91.1 | Very high | 113 Ų | 113 | 90.7 Ų | 90.7 | 58% | 0.579 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -58.4 | -42.7 | 175.3 | -70.1 | 166.1 | 0 | 0 | 0 | 110.8 | L111 G119 | L111-I115 WeakPolarHBondContact O-CB 3.5Å; L111-I115 VanDerWaalsContact O-CG1 3.24Å; L111-I115 WeakPolarHBondContact O-CG1 3.29Å; L111-I115 PolarHBondContact O-N 3.43Å; I115-G119 PolarHBondContact O-N 2.96Å |
| 116 | S | 97.4 | Very high | 92.7 | Very high | 65 Ų | 65 | 90.3 Ų | 90.3 | 46% | 0.455 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.2 | -46.6 | 175.9 | -167.9 | 0 | 0 | 0 | 0 | 111.9 | L112 K113 E114 I118 G119 E120 | L112-S116 PolarHBondContact O-N 2.93Å; K113-S116 WeakPolarHBondContact O-CB 3.48Å; K113-S116 PolarHBondContact O-N 3.4Å; E114-S116 VanDerWaalsContact C-N 3.29Å; E114-S116 PolarHBondContact O-N 3.07Å; S116-I118 PolarHBondContact O-N 3.3Å; S116-G119 PolarHBondContact O-N 2.98Å; S116-E120 WeakPolarHBondContact O-CG 3.28Å; S116-E120 PolarHBondContact O-N 2.76Å |
| 117 | Q | 97 | Very high | 93.9 | Very high | 87 Ų | 87 | 93.5 Ų | 93.5 | 41% | 0.407 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.5 | -42.1 | 179.9 | -72.4 | -178.9 | -3.6 | 0 | 0 | 112.1 | K113 E114 E120 A121 | K113-Q117 WeakPolarHBondContact O-CG 3.38Å; K113-Q117 PolarHBondContact O-N 3.29Å; E114-Q117 PolarHBondContact O-N 3.25Å; Q117-E120 PolarHBondContact O-N 2.9Å; Q117-A121 WeakPolarHBondContact O-CB 3.4Å; Q117-A121 PolarHBondContact O-N 3.01Å |
| 118 | I | 96.9 | Very high | 94.9 | Very high | 86 Ų | 86 | 89.1 Ų | 89.1 | 44% | 0.441 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.8 | -46.4 | 174.4 | -69.5 | 168.2 | 0 | 0 | 0 | 109.9 | E114 S116 E120 A121 F122 | E114-I118 WeakPolarHBondContact O-CB 3.36Å; E114-I118 VanDerWaalsContact O-CG1 3.24Å; E114-I118 WeakPolarHBondContact O-CG1 3.42Å; E114-I118 PolarHBondContact O-N 2.87Å; S116-I118 PolarHBondContact O-N 3.3Å; I118-E120 VanDerWaalsContact C-N 3.35Å; I118-E120 PolarHBondContact O-N 2.68Å; I118-A121 PolarHBondContact O-N 3.41Å; I118-F122 HydrophobicContact CG2-CD2 3.53Å; I118-F122 HydrophobicContact CG2-CE2 3.46Å; I118-F122 VanDerWaalsContact CG2-CE2 3.46Å; I118-F122 VanDerWaalsContact O-CD2 3.24Å; I118-F122 WeakPolarHBondContact O-CD2 3.43Å; I118-F122 PolarHBondContact O-N 3.36Å |
| 119 | G | 97.6 | Very high | 95.5 | Very high | 40 Ų | 40 | 92.5 Ų | 92.5 | 41% | 0.412 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.3 | -42.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | I115 S116 F122 S123 | I115-G119 PolarHBondContact O-N 2.96Å; S116-G119 PolarHBondContact O-N 2.98Å; G119-F122 PolarHBondContact O-N 3.39Å; G119-S123 WeakPolarHBondContact O-CB 3.25Å; G119-S123 PolarHBondContact O-N 2.93Å |
| 120 | E | 97.3 | Very high | 96.1 | Very high | 128 Ų | 128 | 90.1 Ų | 90.1 | 60% | 0.598 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.5 | -42.9 | 174.9 | -74.3 | 173.5 | -161.5 | 0 | 0 | 112.1 | S116 Q117 I118 S123 S124 | S116-E120 WeakPolarHBondContact O-CG 3.28Å; S116-E120 PolarHBondContact O-N 2.76Å; Q117-E120 PolarHBondContact O-N 2.9Å; I118-E120 VanDerWaalsContact C-N 3.35Å; I118-E120 PolarHBondContact O-N 2.68Å; E120-S123 PolarHBondContact O-N 3.49Å; E120-S124 WeakPolarHBondContact O-CB 3.48Å; E120-S124 PolarHBondContact O-N 3.47Å |
| 121 | A | 96.9 | Very high | 96.6 | Very high | 55 Ų | 55 | 89.9 Ų | 89.9 | 46% | 0.455 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.9 | -46.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q117 I118 S124 V125 | Q117-A121 WeakPolarHBondContact O-CB 3.4Å; Q117-A121 PolarHBondContact O-N 3.01Å; I118-A121 PolarHBondContact O-N 3.41Å; A121-S124 WeakPolarHBondContact O-CB 3.42Å; A121-S124 PolarHBondContact O-N 3.34Å; A121-V125 WeakPolarHBondContact O-CG2 3.37Å; A121-V125 PolarHBondContact O-N 3.41Å |
| 122 | F | 97.4 | Very high | 96.9 | Very high | 135 Ų | 135 | 91.8 Ų | 91.8 | 59% | 0.592 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.9 | -42.7 | 176.5 | -83.1 | -71.3 | 0 | 0 | 0 | 112.1 | I118 G119 S124 V125 D126 | I118-F122 HydrophobicContact CG2-CD2 3.53Å; I118-F122 HydrophobicContact CG2-CE2 3.46Å; I118-F122 VanDerWaalsContact CG2-CE2 3.46Å; I118-F122 VanDerWaalsContact O-CD2 3.24Å; I118-F122 WeakPolarHBondContact O-CD2 3.43Å; I118-F122 PolarHBondContact O-N 3.36Å; G119-F122 PolarHBondContact O-N 3.39Å; F122-S124 VanDerWaalsContact C-N 3.28Å; F122-S124 PolarHBondContact O-N 2.91Å; F122-V125 PolarHBondContact O-N 3.15Å; F122-V125 VanDerWaalsContact O-N 3.17Å; F122-D126 PolarHBondContact O-N 3.46Å |
| 123 | S | 97.3 | Very high | 97.1 | Very high | 55 Ų | 55 | 90.9 Ų | 90.9 | 39% | 0.385 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60 | -37.7 | 175.8 | -171.9 | 0 | 0 | 0 | 0 | 112.7 | G119 E120 K127 | G119-S123 WeakPolarHBondContact O-CB 3.25Å; G119-S123 PolarHBondContact O-N 2.93Å; E120-S123 PolarHBondContact O-N 3.49Å; S123-K127 WeakPolarHBondContact O-CG 3.33Å; S123-K127 PolarHBondContact O-N 3.3Å |
| 124 | S | 97.1 | Very high | 97.3 | Very high | 70 Ų | 70 | 89.1 Ų | 89.1 | 49% | 0.49 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.4 | -41.9 | 175.5 | -174.3 | 0 | 0 | 0 | 0 | 112.4 | E120 A121 F122 K127 S128 | E120-S124 WeakPolarHBondContact O-CB 3.48Å; E120-S124 PolarHBondContact O-N 3.47Å; A121-S124 WeakPolarHBondContact O-CB 3.42Å; A121-S124 PolarHBondContact O-N 3.34Å; F122-S124 VanDerWaalsContact C-N 3.28Å; F122-S124 PolarHBondContact O-N 2.91Å; S124-K127 PolarHBondContact O-N 2.84Å; S124-S128 PolarHBondContact O-N 3.46Å; S124-S128 PolarHBondContact O-OG 3.34Å |
| 125 | V | 97.6 | Very high | 97.4 | Very high | 74 Ų | 74 | 91.2 Ų | 91.2 | 45% | 0.448 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.2 | -44.4 | 176.6 | 171 | 0 | 0 | 0 | 0 | 111 | A121 F122 K127 S128 L129 | A121-V125 WeakPolarHBondContact O-CG2 3.37Å; A121-V125 PolarHBondContact O-N 3.41Å; F122-V125 PolarHBondContact O-N 3.15Å; F122-V125 VanDerWaalsContact O-N 3.17Å; V125-K127 VanDerWaalsContact C-N 3.34Å; V125-K127 PolarHBondContact O-N 2.82Å; V125-S128 WeakPolarHBondContact O-CB 3.49Å; V125-S128 PolarHBondContact O-N 3.37Å; V125-S128 VanDerWaalsContact O-N 3.14Å; V125-L129 HydrophobicContact CG1-CD1 4.07Å; V125-L129 HydrophobicContact CG1-CG 4.41Å; V125-L129 PolarHBondContact O-N 3.47Å |
| 126 | D | 97.8 | Very high | 97.5 | Very high | 98 Ų | 98 | 92.3 Ų | 92.3 | 52% | 0.524 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.5 | -44.1 | 177.7 | -75.2 | -19.7 | 0 | 0 | 0 | 111.6 | F122 S128 L129 V130 | F122-D126 PolarHBondContact O-N 3.46Å; D126-S128 VanDerWaalsContact C-N 3.33Å; D126-S128 PolarHBondContact O-N 3.34Å; D126-L129 PolarHBondContact O-N 3.4Å; D126-V130 WeakPolarHBondContact O-CG2 3.33Å; D126-V130 PolarHBondContact O-N 3.27Å |
| 127 | K | 97.5 | Very high | 97.5 | Very high | 147 Ų | 147 | 94.7 Ų | 94.7 | 64% | 0.639 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.3 | -44.3 | 174.8 | -71.7 | 171.2 | -173.4 | 172.7 | 0 | 111.8 | S123 S124 V125 L129 V130 E131 | S123-K127 WeakPolarHBondContact O-CG 3.33Å; S123-K127 PolarHBondContact O-N 3.3Å; S124-K127 PolarHBondContact O-N 2.84Å; V125-K127 VanDerWaalsContact C-N 3.34Å; V125-K127 PolarHBondContact O-N 2.82Å; K127-L129 VanDerWaalsContact C-N 3.34Å; K127-V130 PolarHBondContact O-N 3.32Å; K127-E131 PolarHBondContact O-N 3.12Å |
| 128 | S | 97.8 | Very high | 97.4 | Very high | 56 Ų | 56 | 96.3 Ų | 96.3 | 39% | 0.392 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.6 | -37.8 | 179.6 | -57.5 | 0 | 0 | 0 | 0 | 111.9 | S124 V125 D126 E131 L132 | S124-S128 PolarHBondContact O-N 3.46Å; S124-S128 PolarHBondContact O-OG 3.34Å; V125-S128 WeakPolarHBondContact O-CB 3.49Å; V125-S128 PolarHBondContact O-N 3.37Å; V125-S128 VanDerWaalsContact O-N 3.14Å; D126-S128 VanDerWaalsContact C-N 3.33Å; D126-S128 PolarHBondContact O-N 3.34Å; S128-E131 PolarHBondContact O-N 2.89Å; S128-L132 WeakPolarHBondContact O-CB 3.39Å; S128-L132 WeakPolarHBondContact O-CG 3.45Å; S128-L132 PolarHBondContact O-N 3.01Å |
| 129 | L | 98.1 | Very high | 97.4 | Very high | 101 Ų | 101 | 95.4 Ų | 95.4 | 53% | 0.529 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.4 | -43.9 | 175.8 | -82.9 | 173.1 | 0 | 0 | 0 | 112 | V125 D126 K127 E131 L132 E133 | V125-L129 HydrophobicContact CG1-CD1 4.07Å; V125-L129 HydrophobicContact CG1-CG 4.41Å; V125-L129 PolarHBondContact O-N 3.47Å; D126-L129 PolarHBondContact O-N 3.4Å; K127-L129 VanDerWaalsContact C-N 3.34Å; L129-E131 VanDerWaalsContact C-N 3.34Å; L129-E131 PolarHBondContact O-N 3.02Å; L129-L132 PolarHBondContact O-N 3.49Å; L129-E133 PolarHBondContact O-N 2.88Å |
| 130 | V | 97.7 | Very high | 97.4 | Very high | 90 Ų | 90 | 98.4 Ų | 98.4 | 55% | 0.545 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.2 | -43.3 | 175.9 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | D126 K127 L132 E133 V134 | D126-V130 WeakPolarHBondContact O-CG2 3.33Å; D126-V130 PolarHBondContact O-N 3.27Å; K127-V130 PolarHBondContact O-N 3.32Å; V130-L132 VanDerWaalsContact C-N 3.34Å; V130-L132 PolarHBondContact O-N 2.92Å; V130-E133 PolarHBondContact O-N 2.95Å; V130-V134 WeakPolarHBondContact O-CG2 3.29Å; V130-V134 PolarHBondContact O-N 3.14Å; V130-V134 VanDerWaalsContact O-N 3.12Å |
| 131 | E | 97.6 | Very high | 97.3 | Very high | 105 Ų | 105 | 99.2 Ų | 99.2 | 49% | 0.491 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.1 | -41 | 176.3 | -170.7 | -176.6 | 162.3 | 0 | 0 | 111.9 | K127 S128 L129 V134 K135 | K127-E131 PolarHBondContact O-N 3.12Å; S128-E131 PolarHBondContact O-N 2.89Å; L129-E131 VanDerWaalsContact C-N 3.34Å; L129-E131 PolarHBondContact O-N 3.02Å; E131-V134 PolarHBondContact O-N 3.04Å; E131-K135 HydrophobicContact CG-CD 4.48Å; E131-K135 WeakPolarHBondContact O-CG 3.49Å; E131-K135 PolarHBondContact O-N 3.17Å; E131-K135 WeakPolarHBondContact OE1-CE 3.28Å; E131-K135 IonicContact OE1-NZ 2.68Å; E131-K135 PolarHBondContact OE1-NZ 3.21Å |
| 132 | L | 97.9 | Very high | 97.2 | Very high | 109 Ų | 109 | 99.1 Ų | 99.1 | 57% | 0.571 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65 | -40.2 | 176.4 | -81.5 | 165.5 | 0 | 0 | 0 | 112.2 | S128 L129 V130 V134 K135 F136 | S128-L132 WeakPolarHBondContact O-CB 3.39Å; S128-L132 WeakPolarHBondContact O-CG 3.45Å; S128-L132 PolarHBondContact O-N 3.01Å; L129-L132 PolarHBondContact O-N 3.49Å; V130-L132 VanDerWaalsContact C-N 3.34Å; V130-L132 PolarHBondContact O-N 2.92Å; L132-V134 VanDerWaalsContact C-N 3.32Å; L132-V134 PolarHBondContact O-N 3.03Å; L132-K135 PolarHBondContact O-N 3.32Å; L132-F136 VanDerWaalsContact O-CB 3.29Å; L132-F136 WeakPolarHBondContact O-CB 3.3Å; L132-F136 PolarHBondContact O-N 3.44Å |
| 133 | E | 97.3 | Very high | 97.1 | Very high | 103 Ų | 103 | 98.6 Ų | 98.6 | 48% | 0.481 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.8 | -43.6 | 175.6 | -171.3 | -171.4 | 162.6 | 0 | 0 | 111.1 | L129 V130 F136 K137 | L129-E133 PolarHBondContact O-N 2.88Å; V130-E133 PolarHBondContact O-N 2.95Å; E133-F136 PolarHBondContact O-N 3.32Å; E133-K137 WeakPolarHBondContact O-CG 3.37Å; E133-K137 PolarHBondContact O-N 2.84Å; E133-K137 WeakPolarHBondContact OE1-CE 3.38Å; E133-K137 IonicContact OE1-NZ 3.96Å; E133-K137 PolarHBondContact OE1-NZ 3.45Å |
| 134 | V | 97.9 | Very high | 96.9 | Very high | 89 Ų | 89 | 100.6 Ų | 100.6 | 54% | 0.539 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.7 | -47.4 | 176.5 | 172.8 | 0 | 0 | 0 | 0 | 110.8 | V130 E131 L132 F136 K137 Q138 | V130-V134 WeakPolarHBondContact O-CG2 3.29Å; V130-V134 PolarHBondContact O-N 3.14Å; V130-V134 VanDerWaalsContact O-N 3.12Å; E131-V134 PolarHBondContact O-N 3.04Å; L132-V134 VanDerWaalsContact C-N 3.32Å; L132-V134 PolarHBondContact O-N 3.03Å; V134-F136 VanDerWaalsContact C-N 3.31Å; V134-F136 PolarHBondContact O-N 3.41Å; V134-K137 PolarHBondContact O-N 3.44Å; V134-Q138 WeakPolarHBondContact O-CB 3.4Å; V134-Q138 PolarHBondContact O-N 3.48Å |
| 135 | K | 98.1 | Very high | 96.7 | Very high | 109 Ų | 109 | 104.5 Ų | 104.5 | 47% | 0.474 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.1 | -36.9 | 177.7 | -74.7 | 180 | -176.6 | 168.8 | 0 | 112.4 | E131 L132 Q138 S139 | E131-K135 HydrophobicContact CG-CD 4.48Å; E131-K135 WeakPolarHBondContact O-CG 3.49Å; E131-K135 PolarHBondContact O-N 3.17Å; E131-K135 WeakPolarHBondContact OE1-CE 3.28Å; E131-K135 IonicContact OE1-NZ 2.68Å; E131-K135 PolarHBondContact OE1-NZ 3.21Å; L132-K135 PolarHBondContact O-N 3.32Å; K135-Q138 PolarHBondContact O-N 2.96Å; K135-S139 VanDerWaalsContact O-CB 3.28Å; K135-S139 WeakPolarHBondContact O-CB 3.38Å; K135-S139 PolarHBondContact O-N 2.91Å |
| 136 | F | 97.6 | Very high | 96.6 | Very high | 136 Ų | 136 | 106.5 Ų | 106.5 | 60% | 0.596 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.9 | -47.1 | 176.9 | -178.4 | -97.1 | 0 | 0 | 0 | 111.4 | L132 E133 V134 Q138 S139 Q140 | L132-F136 VanDerWaalsContact O-CB 3.29Å; L132-F136 WeakPolarHBondContact O-CB 3.3Å; L132-F136 PolarHBondContact O-N 3.44Å; E133-F136 PolarHBondContact O-N 3.32Å; V134-F136 VanDerWaalsContact C-N 3.31Å; V134-F136 PolarHBondContact O-N 3.41Å; F136-Q138 PolarHBondContact O-N 2.99Å; F136-S139 PolarHBondContact O-N 2.94Å; F136-Q140 WeakPolarHBondContact O-CB 3.43Å; F136-Q140 PolarHBondContact O-N 3.21Å |
| 137 | K | 96.9 | Very high | 96.3 | Very high | 115 Ų | 115 | 107.8 Ų | 107.8 | 50% | 0.5 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62 | -43.7 | 175.5 | -73 | 180 | -175 | 166 | 0 | 111.9 | E133 V134 Q140 E141 | E133-K137 WeakPolarHBondContact O-CG 3.37Å; E133-K137 PolarHBondContact O-N 2.84Å; E133-K137 WeakPolarHBondContact OE1-CE 3.38Å; E133-K137 IonicContact OE1-NZ 3.96Å; E133-K137 PolarHBondContact OE1-NZ 3.45Å; V134-K137 PolarHBondContact O-N 3.44Å; K137-Q140 PolarHBondContact O-N 2.65Å; K137-E141 PolarHBondContact O-N 2.99Å |
| 138 | Q | 96.3 | Very high | 96.1 | Very high | 121 Ų | 121 | 107.9 Ų | 107.9 | 57% | 0.565 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.2 | -45.1 | 176.2 | -174.4 | 178.8 | 11.3 | 0 | 0 | 111.4 | V134 K135 F136 Q140 E141 T142 | V134-Q138 WeakPolarHBondContact O-CB 3.4Å; V134-Q138 PolarHBondContact O-N 3.48Å; K135-Q138 PolarHBondContact O-N 2.96Å; F136-Q138 PolarHBondContact O-N 2.99Å; Q138-Q140 VanDerWaalsContact C-N 3.33Å; Q138-Q140 PolarHBondContact O-N 3.25Å; Q138-E141 PolarHBondContact O-N 2.91Å; Q138-T142 WeakPolarHBondContact O-CG2 3.34Å; Q138-T142 PolarHBondContact O-N 3.43Å; Q138-T142 PolarHBondContact O-OG1 3.38Å |
| 139 | S | 96.4 | Very high | 95.9 | Very high | 67 Ų | 67 | 110.8 Ų | 110.8 | 47% | 0.469 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.2 | -42 | 178 | -170.2 | 0 | 0 | 0 | 0 | 111.8 | K135 F136 T142 E143 | K135-S139 VanDerWaalsContact O-CB 3.28Å; K135-S139 WeakPolarHBondContact O-CB 3.38Å; K135-S139 PolarHBondContact O-N 2.91Å; F136-S139 PolarHBondContact O-N 2.94Å; S139-T142 VanDerWaalsContact CA-OG1 3.3Å; S139-T142 WeakPolarHBondContact CA-OG1 3.16Å; S139-T142 PolarHBondContact O-N 3.48Å; S139-T142 PolarHBondContact O-OG1 2.91Å; S139-E143 WeakPolarHBondContact O-CB 3.24Å; S139-E143 PolarHBondContact O-N 3.22Å |
| 140 | Q | 96.2 | Very high | 95.6 | Very high | 104 Ų | 104 | 111.4 Ų | 111.4 | 49% | 0.486 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.1 | -42.7 | 177.2 | -179.4 | 174.5 | 86.5 | 0 | 0 | 111.7 | F136 K137 Q138 T142 E143 L144 | F136-Q140 WeakPolarHBondContact O-CB 3.43Å; F136-Q140 PolarHBondContact O-N 3.21Å; K137-Q140 PolarHBondContact O-N 2.65Å; Q138-Q140 VanDerWaalsContact C-N 3.33Å; Q138-Q140 PolarHBondContact O-N 3.25Å; Q140-T142 VanDerWaalsContact C-N 3.35Å; Q140-E143 PolarHBondContact O-N 3.39Å; Q140-L144 HydrophobicContact CG-CD1 4.4Å; Q140-L144 WeakPolarHBondContact O-CG 3.38Å; Q140-L144 PolarHBondContact O-N 3.28Å |
| 141 | E | 95.3 | Very high | 95.5 | Very high | 144 Ų | 144 | 112.1 Ų | 112.1 | 67% | 0.673 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.6 | -40.1 | 176.5 | -170.9 | -179.4 | 172.8 | 0 | 0 | 111.7 | K137 Q138 R145 | K137-E141 PolarHBondContact O-N 2.99Å; Q138-E141 PolarHBondContact O-N 2.91Å; E141-R145 WeakPolarHBondContact O-CB 3.49Å; E141-R145 PolarHBondContact O-N 3.41Å |
| 142 | T | 95.6 | Very high | 95.2 | Very high | 54 Ų | 54 | 109.2 Ų | 109.2 | 33% | 0.331 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.5 | -41.8 | 175.9 | 51.4 | 0 | 0 | 0 | 0 | 112.3 | Q138 S139 Q140 R145 E146 | Q138-T142 WeakPolarHBondContact O-CG2 3.34Å; Q138-T142 PolarHBondContact O-N 3.43Å; Q138-T142 PolarHBondContact O-OG1 3.38Å; S139-T142 VanDerWaalsContact CA-OG1 3.3Å; S139-T142 WeakPolarHBondContact CA-OG1 3.16Å; S139-T142 PolarHBondContact O-N 3.48Å; S139-T142 PolarHBondContact O-OG1 2.91Å; Q140-T142 VanDerWaalsContact C-N 3.35Å; T142-R145 PolarHBondContact O-N 3.05Å; T142-E146 WeakPolarHBondContact O-CB 3.49Å; T142-E146 WeakPolarHBondContact O-CG 3.24Å; T142-E146 PolarHBondContact O-N 2.89Å |
| 143 | E | 94.4 | Very high | 95.1 | Very high | 123 Ų | 123 | 111 Ų | 111 | 58% | 0.575 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.8 | -46.3 | 179.2 | -174.7 | 176 | -172.5 | 0 | 0 | 111.2 | S139 Q140 R145 E146 E147 | S139-E143 WeakPolarHBondContact O-CB 3.24Å; S139-E143 PolarHBondContact O-N 3.22Å; Q140-E143 PolarHBondContact O-N 3.39Å; E143-R145 VanDerWaalsContact C-N 3.33Å; E143-R145 PolarHBondContact O-N 2.87Å; E143-E146 PolarHBondContact O-N 2.87Å; E143-E147 PolarHBondContact O-N 2.95Å |
| 144 | L | 93.7 | Very high | 95 | Very high | 98 Ų | 98 | 109.9 Ų | 109.9 | 51% | 0.513 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.1 | -43.4 | 175.6 | -70.7 | 172.5 | 0 | 0 | 0 | 111.9 | Q140 E146 E147 E148 | Q140-L144 HydrophobicContact CG-CD1 4.4Å; Q140-L144 WeakPolarHBondContact O-CG 3.38Å; Q140-L144 PolarHBondContact O-N 3.28Å; L144-E146 VanDerWaalsContact C-N 3.33Å; L144-E146 PolarHBondContact O-N 3.35Å; L144-E147 PolarHBondContact O-N 3.23Å; L144-E148 WeakPolarHBondContact O-CG 3.41Å; L144-E148 PolarHBondContact O-N 3.45Å |
| 145 | R | 94 | Very high | 94.9 | Very high | 152 Ų | 152 | 110 Ų | 110 | 57% | 0.574 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.3 | -38.8 | 178.9 | -164.5 | -178.4 | 79.4 | 168 | 3 | 111.9 | E141 T142 E143 Q149 | E141-R145 WeakPolarHBondContact O-CB 3.49Å; E141-R145 PolarHBondContact O-N 3.41Å; T142-R145 PolarHBondContact O-N 3.05Å; E143-R145 VanDerWaalsContact C-N 3.33Å; E143-R145 PolarHBondContact O-N 2.87Å; R145-Q149 WeakPolarHBondContact O-CB 3.34Å; R145-Q149 VanDerWaalsContact O-CG 3.25Å; R145-Q149 WeakPolarHBondContact O-CG 3.4Å; R145-Q149 PolarHBondContact O-N 3.18Å; R145-Q149 VanDerWaalsContact O-N 3.09Å |
| 146 | E | 93.9 | Very high | 94.7 | Very high | 115 Ų | 115 | 111.3 Ų | 111.3 | 54% | 0.537 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68.4 | -42.7 | 176.7 | -74.9 | 178.6 | -171.8 | 0 | 0 | 111.5 | T142 E143 L144 E148 Q149 L150 | T142-E146 WeakPolarHBondContact O-CB 3.49Å; T142-E146 WeakPolarHBondContact O-CG 3.24Å; T142-E146 PolarHBondContact O-N 2.89Å; E143-E146 PolarHBondContact O-N 2.87Å; L144-E146 VanDerWaalsContact C-N 3.33Å; L144-E146 PolarHBondContact O-N 3.35Å; E146-E148 PolarHBondContact O-N 2.95Å; E146-Q149 PolarHBondContact O-N 3.36Å; E146-L150 WeakPolarHBondContact O-CB 3.47Å; E146-L150 VanDerWaalsContact O-CG 3.28Å; E146-L150 WeakPolarHBondContact O-CG 3.46Å; E146-L150 PolarHBondContact O-N 3.17Å |
| 147 | E | 92.6 | Very high | 94.6 | Very high | 125 Ų | 125 | 109 Ų | 109 | 58% | 0.584 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -59 | -46.3 | 173.5 | -84.4 | -155.4 | 139.3 | 0 | 0 | 112.1 | E143 L144 Q149 L150 N151 | E143-E147 PolarHBondContact O-N 2.95Å; L144-E147 PolarHBondContact O-N 3.23Å; E147-Q149 VanDerWaalsContact C-N 3.33Å; E147-Q149 PolarHBondContact O-N 2.85Å; E147-L150 PolarHBondContact O-N 2.94Å; E147-N151 VanDerWaalsContact O-CB 3.29Å; E147-N151 WeakPolarHBondContact O-CB 3.38Å; E147-N151 PolarHBondContact O-N 3.04Å |
| 148 | E | 92.8 | Very high | 94.6 | Very high | 149 Ų | 149 | 107.8 Ų | 107.8 | 70% | 0.696 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60.7 | -42.2 | 177.5 | -76.1 | -175 | 167.1 | 0 | 0 | 111.9 | L144 E146 G152 | L144-E148 WeakPolarHBondContact O-CG 3.41Å; L144-E148 PolarHBondContact O-N 3.45Å; E146-E148 PolarHBondContact O-N 2.95Å; E148-G152 PolarHBondContact O-N 3.37Å |
| 149 | Q | 93.6 | Very high | 94.6 | Very high | 117 Ų | 117 | 104.8 Ų | 104.8 | 55% | 0.547 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.2 | -44 | 177.5 | -75.1 | 178.6 | 11.9 | 0 | 0 | 112.2 | R145 E146 E147 G152 Y153 | R145-Q149 WeakPolarHBondContact O-CB 3.34Å; R145-Q149 VanDerWaalsContact O-CG 3.25Å; R145-Q149 WeakPolarHBondContact O-CG 3.4Å; R145-Q149 PolarHBondContact O-N 3.18Å; R145-Q149 VanDerWaalsContact O-N 3.09Å; E146-Q149 PolarHBondContact O-N 3.36Å; E147-Q149 VanDerWaalsContact C-N 3.33Å; E147-Q149 PolarHBondContact O-N 2.85Å; Q149-G152 PolarHBondContact O-N 3.33Å; Q149-Y153 WeakPolarHBondContact O-CB 3.45Å; Q149-Y153 PolarHBondContact O-N 2.95Å |
| 150 | L | 93 | Very high | 94.6 | Very high | 114 Ų | 114 | 106 Ų | 106 | 60% | 0.597 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.7 | -44.4 | 177.4 | -73.9 | 170.8 | 0 | 0 | 0 | 111.1 | E146 E147 G152 Y153 V154 | E146-L150 WeakPolarHBondContact O-CB 3.47Å; E146-L150 VanDerWaalsContact O-CG 3.28Å; E146-L150 WeakPolarHBondContact O-CG 3.46Å; E146-L150 PolarHBondContact O-N 3.17Å; E147-L150 PolarHBondContact O-N 2.94Å; L150-G152 PolarHBondContact O-N 3.32Å; L150-Y153 PolarHBondContact O-N 2.97Å; L150-V154 WeakPolarHBondContact O-CB 3.42Å; L150-V154 VanDerWaalsContact O-CG2 3.29Å; L150-V154 WeakPolarHBondContact O-CG2 3.24Å; L150-V154 PolarHBondContact O-N 3.23Å |
| 151 | N | 94.1 | Very high | 94.7 | Very high | 106 Ų | 106 | 105.4 Ų | 105.4 | 57% | 0.567 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60.1 | -46.8 | 176.3 | -172.1 | 21.9 | 0 | 0 | 0 | 111.1 | E147 Y153 V154 V155 | E147-N151 VanDerWaalsContact O-CB 3.29Å; E147-N151 WeakPolarHBondContact O-CB 3.38Å; E147-N151 PolarHBondContact O-N 3.04Å; N151-Y153 PolarHBondContact O-N 3.45Å; N151-V154 PolarHBondContact O-N 3.33Å; N151-V155 WeakPolarHBondContact O-CB 3.42Å; N151-V155 VanDerWaalsContact O-CG2 3.24Å; N151-V155 WeakPolarHBondContact O-CG2 3.44Å; N151-V155 PolarHBondContact O-N 3.46Å |
| 152 | G | 92.8 | Very high | 94.8 | Very high | 44 Ų | 44 | 105.1 Ų | 105.1 | 45% | 0.454 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.5 | -43.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | E148 Q149 L150 K156 | E148-G152 PolarHBondContact O-N 3.37Å; Q149-G152 PolarHBondContact O-N 3.33Å; L150-G152 PolarHBondContact O-N 3.32Å; G152-K156 VanDerWaalsContact O-CB 3.29Å; G152-K156 WeakPolarHBondContact O-CB 3.38Å; G152-K156 PolarHBondContact O-N 3.45Å |
| 153 | Y | 94.7 | Very high | 94.9 | Very high | 146 Ų | 146 | 104.2 Ų | 104.2 | 57% | 0.573 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.8 | -48 | 177.6 | 179.8 | -97.2 | 0 | 0 | 0 | 112.1 | Q149 L150 N151 K156 Q157 | Q149-Y153 WeakPolarHBondContact O-CB 3.45Å; Q149-Y153 PolarHBondContact O-N 2.95Å; L150-Y153 PolarHBondContact O-N 2.97Å; N151-Y153 PolarHBondContact O-N 3.45Å; Y153-K156 PolarHBondContact O-N 2.96Å; Y153-Q157 WeakPolarHBondContact O-CB 3.34Å; Y153-Q157 PolarHBondContact O-N 2.93Å |
| 154 | V | 95 | Very high | 95.1 | Very high | 79 Ų | 79 | 100.8 Ų | 100.8 | 48% | 0.479 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.7 | -46.7 | -180 | 172 | 0 | 0 | 0 | 0 | 110.9 | L150 N151 K156 Q157 V158 | L150-V154 WeakPolarHBondContact O-CB 3.42Å; L150-V154 VanDerWaalsContact O-CG2 3.29Å; L150-V154 WeakPolarHBondContact O-CG2 3.24Å; L150-V154 PolarHBondContact O-N 3.23Å; N151-V154 PolarHBondContact O-N 3.33Å; V154-K156 VanDerWaalsContact C-N 3.31Å; V154-K156 PolarHBondContact O-N 3.28Å; V154-Q157 PolarHBondContact O-N 3.17Å; V154-V158 HydrophobicContact CG1-CG2 4.36Å; V154-V158 WeakPolarHBondContact O-CB 3.29Å; V154-V158 VanDerWaalsContact O-CG2 3.31Å; V154-V158 WeakPolarHBondContact O-CG2 3.4Å; V154-V158 PolarHBondContact O-N 2.97Å |
| 155 | V | 95.3 | Very high | 95.2 | Very high | 91 Ų | 91 | 101.1 Ų | 101.1 | 55% | 0.552 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.1 | -43.6 | 178.3 | 170.1 | 0 | 0 | 0 | 0 | 110.9 | N151 S159 | N151-V155 WeakPolarHBondContact O-CB 3.42Å; N151-V155 VanDerWaalsContact O-CG2 3.24Å; N151-V155 WeakPolarHBondContact O-CG2 3.44Å; N151-V155 PolarHBondContact O-N 3.46Å; V155-S159 WeakPolarHBondContact O-CB 3.2Å; V155-S159 PolarHBondContact O-N 3.3Å |
| 156 | K | 95.4 | Very high | 95.4 | Very high | 137 Ų | 137 | 101 Ų | 101 | 60% | 0.596 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.2 | -49.7 | 176.4 | -176.1 | -179.4 | 177 | -176.9 | 0 | 111.3 | G152 Y153 V154 V158 S159 D160 | G152-K156 VanDerWaalsContact O-CB 3.29Å; G152-K156 WeakPolarHBondContact O-CB 3.38Å; G152-K156 PolarHBondContact O-N 3.45Å; Y153-K156 PolarHBondContact O-N 2.96Å; V154-K156 VanDerWaalsContact C-N 3.31Å; V154-K156 PolarHBondContact O-N 3.28Å; K156-V158 VanDerWaalsContact C-N 3.34Å; K156-V158 PolarHBondContact O-N 2.83Å; K156-S159 WeakPolarHBondContact O-CB 3.47Å; K156-S159 PolarHBondContact O-N 3.48Å; K156-S159 VanDerWaalsContact O-N 3.11Å; K156-D160 VanDerWaalsContact O-CG 3.24Å; K156-D160 PolarHBondContact O-N 3.5Å |
| 157 | Q | 94.9 | Very high | 95.6 | Very high | 89 Ų | 89 | 101.6 Ų | 101.6 | 42% | 0.416 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.4 | -41.6 | -178.9 | -169.9 | 178.3 | -0.1 | 0 | 0 | 112 | Y153 V154 S159 D160 I161 | Y153-Q157 WeakPolarHBondContact O-CB 3.34Å; Y153-Q157 PolarHBondContact O-N 2.93Å; V154-Q157 PolarHBondContact O-N 3.17Å; Q157-S159 VanDerWaalsContact C-N 3.35Å; Q157-D160 PolarHBondContact O-N 2.9Å; Q157-I161 HydrophobicContact CG-CD1 4.08Å; Q157-I161 WeakPolarHBondContact O-CB 3.47Å; Q157-I161 VanDerWaalsContact O-CG1 3.25Å; Q157-I161 WeakPolarHBondContact O-CG1 3.45Å; Q157-I161 PolarHBondContact O-N 3.49Å |
| 158 | V | 96.4 | Very high | 95.8 | Very high | 89 Ų | 89 | 99.8 Ų | 99.8 | 54% | 0.539 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.1 | -40.9 | 174.9 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | V154 K156 R162 | V154-V158 HydrophobicContact CG1-CG2 4.36Å; V154-V158 WeakPolarHBondContact O-CB 3.29Å; V154-V158 VanDerWaalsContact O-CG2 3.31Å; V154-V158 WeakPolarHBondContact O-CG2 3.4Å; V154-V158 PolarHBondContact O-N 2.97Å; K156-V158 VanDerWaalsContact C-N 3.34Å; K156-V158 PolarHBondContact O-N 2.83Å; V158-R162 WeakPolarHBondContact O-CB 3.21Å; V158-R162 PolarHBondContact O-N 2.85Å |
| 159 | S | 96.5 | Very high | 96.1 | Very high | 58 Ų | 58 | 95.8 Ų | 95.8 | 41% | 0.406 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.6 | -44.7 | 175 | -178.5 | 0 | 0 | 0 | 0 | 111.8 | V155 K156 Q157 R162 G163 | V155-S159 WeakPolarHBondContact O-CB 3.2Å; V155-S159 PolarHBondContact O-N 3.3Å; K156-S159 WeakPolarHBondContact O-CB 3.47Å; K156-S159 PolarHBondContact O-N 3.48Å; K156-S159 VanDerWaalsContact O-N 3.11Å; Q157-S159 VanDerWaalsContact C-N 3.35Å; S159-R162 PolarHBondContact O-N 3.4Å; S159-G163 PolarHBondContact O-N 2.99Å |
| 160 | D | 97.3 | Very high | 96.2 | Very high | 92 Ų | 92 | 95.2 Ų | 95.2 | 49% | 0.492 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.1 | -45.7 | 179.7 | -66.7 | -15.7 | 0 | 0 | 0 | 111 | K156 Q157 R162 G163 A164 | K156-D160 VanDerWaalsContact O-CG 3.24Å; K156-D160 PolarHBondContact O-N 3.5Å; Q157-D160 PolarHBondContact O-N 2.9Å; D160-R162 VanDerWaalsContact C-N 3.34Å; D160-R162 PolarHBondContact O-N 3.19Å; D160-G163 PolarHBondContact O-N 3.44Å; D160-G163 VanDerWaalsContact O-N 3.15Å; D160-A164 PolarHBondContact O-N 3.37Å |
| 161 | I | 97.3 | Very high | 96.5 | Very high | 91 Ų | 91 | 94.2 Ų | 94.2 | 47% | 0.467 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.8 | -44.5 | 174.6 | -69 | 165.5 | 0 | 0 | 0 | 110.7 | Q157 G163 A164 L165 | Q157-I161 HydrophobicContact CG-CD1 4.08Å; Q157-I161 WeakPolarHBondContact O-CB 3.47Å; Q157-I161 VanDerWaalsContact O-CG1 3.25Å; Q157-I161 WeakPolarHBondContact O-CG1 3.45Å; Q157-I161 PolarHBondContact O-N 3.49Å; I161-G163 VanDerWaalsContact C-N 3.29Å; I161-G163 PolarHBondContact O-N 2.81Å; I161-A164 PolarHBondContact O-N 3.46Å; I161-L165 HydrophobicContact CG2-CD1 4.01Å; I161-L165 HydrophobicContact CG2-CG 4.42Å; I161-L165 WeakPolarHBondContact O-CB 3.23Å; I161-L165 WeakPolarHBondContact O-CG 3.41Å; I161-L165 PolarHBondContact O-N 3.31Å |
| 162 | R | 97.4 | Very high | 96.6 | Very high | 138 Ų | 138 | 91.6 Ų | 91.6 | 52% | 0.521 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.3 | -37.9 | 177.1 | -170.8 | -177.8 | 73.7 | -179.8 | 0.6 | 111.6 | V158 S159 D160 R166 | V158-R162 WeakPolarHBondContact O-CB 3.21Å; V158-R162 PolarHBondContact O-N 2.85Å; S159-R162 PolarHBondContact O-N 3.4Å; D160-R162 VanDerWaalsContact C-N 3.34Å; D160-R162 PolarHBondContact O-N 3.19Å; R162-R166 PolarHBondContact O-N 2.97Å; R162-R166 VanDerWaalsContact O-N 3.1Å |
| 163 | G | 97.8 | Very high | 96.8 | Very high | 36 Ų | 36 | 94.4 Ų | 94.4 | 37% | 0.371 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.5 | -52.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S159 D160 I161 L165 R166 E167 | S159-G163 PolarHBondContact O-N 2.99Å; D160-G163 PolarHBondContact O-N 3.44Å; D160-G163 VanDerWaalsContact O-N 3.15Å; I161-G163 VanDerWaalsContact C-N 3.29Å; I161-G163 PolarHBondContact O-N 2.81Å; G163-L165 VanDerWaalsContact C-N 3.32Å; G163-L165 PolarHBondContact O-N 2.92Å; G163-R166 WeakPolarHBondContact O-CB 3.3Å; G163-R166 PolarHBondContact O-N 2.87Å; G163-R166 VanDerWaalsContact O-N 3.15Å; G163-E167 PolarHBondContact O-N 3.38Å |
| 164 | A | 97.7 | Very high | 96.9 | Very high | 50 Ų | 50 | 88.9 Ų | 88.9 | 41% | 0.413 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.5 | -37.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | D160 I161 E167 T168 | D160-A164 PolarHBondContact O-N 3.37Å; I161-A164 PolarHBondContact O-N 3.46Å; A164-E167 PolarHBondContact O-N 2.9Å; A164-T168 WeakPolarHBondContact O-CB 3.48Å; A164-T168 PolarHBondContact O-N 2.94Å; A164-T168 PolarHBondContact O-OG1 3.48Å |
| 165 | L | 97.7 | Very high | 97 | Very high | 105 Ų | 105 | 89.9 Ų | 89.9 | 55% | 0.55 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.3 | -39.3 | 175.2 | -78.6 | 172.3 | 0 | 0 | 0 | 112.4 | I161 G163 T169 | I161-L165 HydrophobicContact CG2-CD1 4.01Å; I161-L165 HydrophobicContact CG2-CG 4.42Å; I161-L165 WeakPolarHBondContact O-CB 3.23Å; I161-L165 WeakPolarHBondContact O-CG 3.41Å; I161-L165 PolarHBondContact O-N 3.31Å; G163-L165 VanDerWaalsContact C-N 3.32Å; G163-L165 PolarHBondContact O-N 2.92Å; L165-T169 WeakPolarHBondContact O-CB 3.41Å; L165-T169 PolarHBondContact O-N 3.44Å; L165-T169 PolarHBondContact O-OG1 3.36Å |
| 166 | R | 97.7 | Very high | 97.1 | Very high | 151 Ų | 151 | 93.8 Ų | 93.8 | 57% | 0.57 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.5 | -49.2 | 173.7 | -79.9 | -176.9 | 176.1 | 149.3 | -2.4 | 111.1 | R162 G163 T168 T169 D170 | R162-R166 PolarHBondContact O-N 2.97Å; R162-R166 VanDerWaalsContact O-N 3.1Å; G163-R166 WeakPolarHBondContact O-CB 3.3Å; G163-R166 PolarHBondContact O-N 2.87Å; G163-R166 VanDerWaalsContact O-N 3.15Å; R166-T168 VanDerWaalsContact C-N 3.3Å; R166-T168 PolarHBondContact O-N 2.85Å; R166-T169 CarbonylContact O-C 3.6Å; R166-T169 WeakPolarHBondContact O-CA 3.44Å; R166-T169 WeakPolarHBondContact O-CB 3.39Å; R166-T169 PolarHBondContact O-N 3.26Å; R166-D170 VanDerWaalsContact O-CG 3.28Å; R166-D170 PolarHBondContact O-N 3.13Å |
| 167 | E | 97.6 | Very high | 97.1 | Very high | 126 Ų | 126 | 91.7 Ų | 91.7 | 59% | 0.589 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -57.9 | -44 | 177.3 | -174.8 | 178.3 | -177.3 | 0 | 0 | 111.7 | G163 A164 T169 D170 I171 | G163-E167 PolarHBondContact O-N 3.38Å; A164-E167 PolarHBondContact O-N 2.9Å; E167-T169 VanDerWaalsContact C-N 3.3Å; E167-T169 PolarHBondContact O-N 2.9Å; E167-D170 PolarHBondContact O-N 3.45Å; E167-I171 HydrophobicContact CG-CD1 4.03Å; E167-I171 VanDerWaalsContact O-CG1 3.27Å; E167-I171 WeakPolarHBondContact O-CG1 3.24Å; E167-I171 PolarHBondContact O-N 2.97Å |
| 168 | T | 97.6 | Very high | 97.3 | Very high | 87 Ų | 87 | 95.8 Ų | 95.8 | 53% | 0.534 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.5 | -40 | 175.5 | -57 | 0 | 0 | 0 | 0 | 111.6 | A164 R166 S172 | A164-T168 WeakPolarHBondContact O-CB 3.48Å; A164-T168 PolarHBondContact O-N 2.94Å; A164-T168 PolarHBondContact O-OG1 3.48Å; R166-T168 VanDerWaalsContact C-N 3.3Å; R166-T168 PolarHBondContact O-N 2.85Å; T168-S172 WeakPolarHBondContact O-CB 3.38Å; T168-S172 PolarHBondContact O-N 2.91Å |
| 169 | T | 97.6 | Very high | 97.3 | Very high | 66 Ų | 66 | 97.6 Ų | 97.6 | 41% | 0.405 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.3 | -46.2 | 176.8 | -57.5 | 0 | 0 | 0 | 0 | 110.8 | L165 R166 E167 I171 S172 Q173 | L165-T169 WeakPolarHBondContact O-CB 3.41Å; L165-T169 PolarHBondContact O-N 3.44Å; L165-T169 PolarHBondContact O-OG1 3.36Å; R166-T169 CarbonylContact O-C 3.6Å; R166-T169 WeakPolarHBondContact O-CA 3.44Å; R166-T169 WeakPolarHBondContact O-CB 3.39Å; R166-T169 PolarHBondContact O-N 3.26Å; E167-T169 VanDerWaalsContact C-N 3.3Å; E167-T169 PolarHBondContact O-N 2.9Å; T169-I171 PolarHBondContact O-N 3.36Å; T169-S172 PolarHBondContact O-N 2.87Å; T169-S172 VanDerWaalsContact O-N 3.15Å; T169-S172 PolarHBondContact O-OG 3.46Å; T169-Q173 WeakPolarHBondContact O-CG 3.44Å; T169-Q173 PolarHBondContact O-N 3.31Å |
| 170 | D | 97.4 | Very high | 97.3 | Very high | 105 Ų | 105 | 100.5 Ų | 100.5 | 56% | 0.561 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62 | -43.8 | 179 | -64.8 | -17.2 | 0 | 0 | 0 | 111.1 | R166 E167 S172 Q173 G174 | R166-D170 VanDerWaalsContact O-CG 3.28Å; R166-D170 PolarHBondContact O-N 3.13Å; E167-D170 PolarHBondContact O-N 3.45Å; D170-S172 PolarHBondContact O-N 3.27Å; D170-Q173 PolarHBondContact O-N 2.9Å; D170-G174 PolarHBondContact O-N 3.33Å |
| 171 | I | 97.4 | Very high | 97.3 | Very high | 93 Ų | 93 | 101.1 Ų | 101.1 | 48% | 0.477 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61 | -44.8 | 173.7 | -67.5 | 166.4 | 0 | 0 | 0 | 110.7 | E167 T169 Q173 G174 L175 | E167-I171 HydrophobicContact CG-CD1 4.03Å; E167-I171 VanDerWaalsContact O-CG1 3.27Å; E167-I171 WeakPolarHBondContact O-CG1 3.24Å; E167-I171 PolarHBondContact O-N 2.97Å; T169-I171 PolarHBondContact O-N 3.36Å; I171-Q173 VanDerWaalsContact C-N 3.32Å; I171-Q173 PolarHBondContact O-N 2.98Å; I171-G174 PolarHBondContact O-N 2.99Å; I171-L175 HydrophobicContact CG2-CD1 4Å; I171-L175 HydrophobicContact CG2-CG 4.38Å; I171-L175 WeakPolarHBondContact O-CG 3.38Å; I171-L175 PolarHBondContact O-N 2.93Å |
| 172 | S | 97.3 | Very high | 97.3 | Very high | 50 Ų | 50 | 101.7 Ų | 101.7 | 35% | 0.35 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.5 | -37.2 | -179.2 | 79 | 0 | 0 | 0 | 0 | 112.7 | T168 T169 D170 R176 | T168-S172 WeakPolarHBondContact O-CB 3.38Å; T168-S172 PolarHBondContact O-N 2.91Å; T169-S172 PolarHBondContact O-N 2.87Å; T169-S172 VanDerWaalsContact O-N 3.15Å; T169-S172 PolarHBondContact O-OG 3.46Å; D170-S172 PolarHBondContact O-N 3.27Å; S172-R176 PolarHBondContact O-N 3.34Å; S172-R176 VanDerWaalsContact O-N 3.07Å |
| 173 | Q | 96.9 | Very high | 97.3 | Very high | 104 Ų | 104 | 97.6 Ų | 97.6 | 49% | 0.486 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.1 | -48.9 | 174.3 | -72.6 | 179.8 | 3.7 | 0 | 0 | 110.5 | T169 D170 I171 L175 R176 D177 | T169-Q173 WeakPolarHBondContact O-CG 3.44Å; T169-Q173 PolarHBondContact O-N 3.31Å; D170-Q173 PolarHBondContact O-N 2.9Å; I171-Q173 VanDerWaalsContact C-N 3.32Å; I171-Q173 PolarHBondContact O-N 2.98Å; Q173-L175 VanDerWaalsContact C-N 3.26Å; Q173-L175 PolarHBondContact O-N 3.48Å; Q173-R176 WeakPolarHBondContact O-CA 3.24Å; Q173-R176 WeakPolarHBondContact O-CB 3.47Å; Q173-R176 PolarHBondContact O-N 2.7Å; Q173-D177 PolarHBondContact O-N 3.46Å |
| 174 | G | 96.8 | Very high | 97.2 | Very high | 29 Ų | 29 | 100.8 Ų | 100.8 | 30% | 0.299 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.9 | -34.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | D170 I171 R178 | D170-G174 PolarHBondContact O-N 3.33Å; I171-G174 PolarHBondContact O-N 2.99Å; G174-R178 VanDerWaalsContact O-CG 3.28Å; G174-R178 WeakPolarHBondContact O-CG 3.46Å; G174-R178 PolarHBondContact O-N 3.39Å |
| 175 | L | 96.9 | Very high | 97.2 | Very high | 101 Ų | 101 | 103 Ų | 103 | 53% | 0.529 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.6 | -38.2 | 172.9 | -74.8 | 173 | 0 | 0 | 0 | 112.4 | I171 Q173 R178 H179 | I171-L175 HydrophobicContact CG2-CD1 4Å; I171-L175 HydrophobicContact CG2-CG 4.38Å; I171-L175 WeakPolarHBondContact O-CG 3.38Å; I171-L175 PolarHBondContact O-N 2.93Å; Q173-L175 VanDerWaalsContact C-N 3.26Å; Q173-L175 PolarHBondContact O-N 3.48Å; L175-R178 PolarHBondContact O-N 3.41Å; L175-H179 WeakPolarHBondContact O-CB 3.48Å; L175-H179 PolarHBondContact O-N 3.43Å |
| 176 | R | 97 | Very high | 97.1 | Very high | 172 Ų | 172 | 103.7 Ų | 103.7 | 65% | 0.649 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.2 | -45.6 | 176.4 | -170.4 | -178.6 | -63.4 | 179.2 | 0.9 | 111.1 | S172 Q173 R178 H179 E180 | S172-R176 PolarHBondContact O-N 3.34Å; S172-R176 VanDerWaalsContact O-N 3.07Å; Q173-R176 WeakPolarHBondContact O-CA 3.24Å; Q173-R176 WeakPolarHBondContact O-CB 3.47Å; Q173-R176 PolarHBondContact O-N 2.7Å; R176-R178 VanDerWaalsContact C-N 3.33Å; R176-R178 PolarHBondContact O-N 2.89Å; R176-H179 WeakPolarHBondContact O-CB 3.44Å; R176-H179 PolarHBondContact O-N 2.74Å; R176-H179 VanDerWaalsContact O-N 3.13Å; R176-E180 PolarHBondContact O-N 2.95Å |
| 177 | D | 97.1 | Very high | 97 | Very high | 94 Ų | 94 | 105.6 Ų | 105.6 | 50% | 0.503 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.3 | -43.2 | 177.8 | -63.6 | -11 | 0 | 0 | 0 | 111.2 | Q173 H179 E180 L181 | Q173-D177 PolarHBondContact O-N 3.46Å; D177-H179 VanDerWaalsContact C-N 3.33Å; D177-H179 PolarHBondContact O-N 2.9Å; D177-E180 PolarHBondContact O-N 3.45Å; D177-L181 WeakPolarHBondContact O-CG 3.48Å; D177-L181 PolarHBondContact O-N 3.49Å |
| 178 | R | 97.1 | Very high | 96.9 | Very high | 175 Ų | 175 | 102.4 Ų | 102.4 | 66% | 0.66 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.2 | -38.9 | 174.9 | -72.4 | 175 | -175.9 | -176.9 | 3.6 | 112.2 | G174 L175 R176 L181 L182 | G174-R178 VanDerWaalsContact O-CG 3.28Å; G174-R178 WeakPolarHBondContact O-CG 3.46Å; G174-R178 PolarHBondContact O-N 3.39Å; L175-R178 PolarHBondContact O-N 3.41Å; R176-R178 VanDerWaalsContact C-N 3.33Å; R176-R178 PolarHBondContact O-N 2.89Å; R178-L181 PolarHBondContact O-N 2.78Å; R178-L182 WeakPolarHBondContact O-CG 3.27Å; R178-L182 PolarHBondContact O-N 2.9Å |
| 179 | H | 97.3 | Very high | 96.9 | Very high | 126 Ų | 126 | 102.7 Ų | 102.7 | 58% | 0.583 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.4 | -44.7 | 176.1 | -174.3 | 75.3 | 0 | 0 | 0 | 111.4 | L175 R176 D177 L181 L182 S183 | L175-H179 WeakPolarHBondContact O-CB 3.48Å; L175-H179 PolarHBondContact O-N 3.43Å; R176-H179 WeakPolarHBondContact O-CB 3.44Å; R176-H179 PolarHBondContact O-N 2.74Å; R176-H179 VanDerWaalsContact O-N 3.13Å; D177-H179 VanDerWaalsContact C-N 3.33Å; D177-H179 PolarHBondContact O-N 2.9Å; H179-L181 PolarHBondContact O-N 3.15Å; H179-L182 PolarHBondContact O-N 3.3Å; H179-S183 PolarHBondContact O-N 3.26Å; H179-S183 PolarHBondContact O-OG 2.97Å; H179-S183 VanDerWaalsContact O-OG 3.14Å |
| 180 | E | 96.8 | Very high | 96.8 | Very high | 119 Ų | 119 | 101.4 Ų | 101.4 | 56% | 0.556 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.7 | -43.7 | 176.9 | -172.3 | 172.5 | -179 | 0 | 0 | 111.8 | R176 D177 L182 S183 L184 | R176-E180 PolarHBondContact O-N 2.95Å; D177-E180 PolarHBondContact O-N 3.45Å; E180-L182 PolarHBondContact O-N 2.97Å; E180-S183 PolarHBondContact O-N 3.02Å; E180-L184 WeakPolarHBondContact O-CG 3.32Å; E180-L184 PolarHBondContact O-N 2.91Å |
| 181 | L | 97.4 | Very high | 96.7 | Very high | 106 Ų | 106 | 99.6 Ų | 99.6 | 56% | 0.555 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -59.5 | -45.2 | 173.9 | -73.4 | 172.8 | 0 | 0 | 0 | 112.3 | D177 R178 H179 L184 I185 | D177-L181 WeakPolarHBondContact O-CG 3.48Å; D177-L181 PolarHBondContact O-N 3.49Å; R178-L181 PolarHBondContact O-N 2.78Å; H179-L181 PolarHBondContact O-N 3.15Å; L181-L184 PolarHBondContact O-N 3.32Å; L181-I185 VanDerWaalsContact O-CG1 3.29Å; L181-I185 WeakPolarHBondContact O-CG1 3.35Å; L181-I185 PolarHBondContact O-N 3.18Å |
| 182 | L | 97 | Very high | 96.6 | Very high | 102 Ų | 102 | 102.2 Ų | 102.2 | 53% | 0.534 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.7 | -43.8 | 176 | -75.7 | 171 | 0 | 0 | 0 | 111.6 | R178 H179 E180 L184 I185 I186 | R178-L182 WeakPolarHBondContact O-CG 3.27Å; R178-L182 PolarHBondContact O-N 2.9Å; H179-L182 PolarHBondContact O-N 3.3Å; E180-L182 PolarHBondContact O-N 2.97Å; L182-L184 VanDerWaalsContact C-N 3.32Å; L182-L184 PolarHBondContact O-N 2.98Å; L182-I185 PolarHBondContact O-N 3.16Å; L182-I186 VanDerWaalsContact O-CG1 3.29Å; L182-I186 WeakPolarHBondContact O-CG1 3.33Å; L182-I186 PolarHBondContact O-N 2.98Å |
| 183 | S | 96.9 | Very high | 96.4 | Very high | 53 Ų | 53 | 105.4 Ų | 105.4 | 37% | 0.371 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.8 | -41.7 | 176.2 | -63.1 | 0 | 0 | 0 | 0 | 112.1 | H179 E180 I186 R187 | H179-S183 PolarHBondContact O-N 3.26Å; H179-S183 PolarHBondContact O-OG 2.97Å; H179-S183 VanDerWaalsContact O-OG 3.14Å; E180-S183 PolarHBondContact O-N 3.02Å; S183-I186 PolarHBondContact O-N 3.47Å; S183-R187 WeakPolarHBondContact O-CB 3.39Å; S183-R187 PolarHBondContact O-N 3.49Å |
| 184 | L | 96.5 | Very high | 96.2 | Very high | 103 Ų | 103 | 103.8 Ų | 103.8 | 54% | 0.539 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.9 | -43.7 | 175.2 | -72.1 | 171.8 | 0 | 0 | 0 | 112.1 | E180 L181 L182 R187 S188 | E180-L184 WeakPolarHBondContact O-CG 3.32Å; E180-L184 PolarHBondContact O-N 2.91Å; L181-L184 PolarHBondContact O-N 3.32Å; L182-L184 VanDerWaalsContact C-N 3.32Å; L182-L184 PolarHBondContact O-N 2.98Å; L184-R187 PolarHBondContact O-N 3.43Å; L184-S188 VanDerWaalsContact O-CB 3.29Å; L184-S188 WeakPolarHBondContact O-CB 3.44Å; L184-S188 PolarHBondContact O-N 3.26Å |
| 185 | I | 96.6 | Very high | 96 | Very high | 95 Ų | 95 | 110.4 Ų | 110.4 | 49% | 0.487 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.3 | -47.5 | 176.7 | -69.1 | 166 | 0 | 0 | 0 | 110.5 | L181 L182 R187 S188 H189 | L181-I185 VanDerWaalsContact O-CG1 3.29Å; L181-I185 WeakPolarHBondContact O-CG1 3.35Å; L181-I185 PolarHBondContact O-N 3.18Å; L182-I185 PolarHBondContact O-N 3.16Å; I185-R187 PolarHBondContact O-N 3.2Å; I185-S188 PolarHBondContact O-N 3.26Å; I185-H189 WeakPolarHBondContact O-CB 3.38Å; I185-H189 PolarHBondContact O-N 3.18Å |
| 186 | I | 96.6 | Very high | 95.7 | Very high | 120 Ų | 120 | 110.9 Ų | 110.9 | 62% | 0.615 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -60.2 | -47 | 178.6 | -69.1 | 166.1 | 0 | 0 | 0 | 110.4 | L182 S183 H189 G190 | L182-I186 VanDerWaalsContact O-CG1 3.29Å; L182-I186 WeakPolarHBondContact O-CG1 3.33Å; L182-I186 PolarHBondContact O-N 2.98Å; S183-I186 PolarHBondContact O-N 3.47Å; I186-H189 PolarHBondContact O-N 3.07Å; I186-G190 PolarHBondContact O-N 3.33Å |
| 187 | R | 95.6 | Very high | 95.5 | Very high | 192 Ų | 192 | 109.4 Ų | 109.4 | 73% | 0.725 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.3 | -46 | 178.4 | -169.4 | 179.6 | 178.6 | 89.3 | -0.5 | 111.3 | S183 L184 I185 G190 T191 | S183-R187 WeakPolarHBondContact O-CB 3.39Å; S183-R187 PolarHBondContact O-N 3.49Å; L184-R187 PolarHBondContact O-N 3.43Å; I185-R187 PolarHBondContact O-N 3.2Å; R187-G190 PolarHBondContact O-N 2.99Å; R187-T191 WeakPolarHBondContact O-CG2 3.47Å; R187-T191 PolarHBondContact O-N 3.33Å |
| 188 | S | 96.1 | Very high | 95.1 | Very high | 58 Ų | 58 | 108.1 Ų | 108.1 | 41% | 0.406 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.1 | -52.2 | 176.5 | 177 | 0 | 0 | 0 | 0 | 111.6 | L184 I185 G190 T191 R192 | L184-S188 VanDerWaalsContact O-CB 3.29Å; L184-S188 WeakPolarHBondContact O-CB 3.44Å; L184-S188 PolarHBondContact O-N 3.26Å; I185-S188 PolarHBondContact O-N 3.26Å; S188-G190 VanDerWaalsContact C-N 3.33Å; S188-G190 PolarHBondContact O-N 3.46Å; S188-T191 PolarHBondContact O-N 2.94Å; S188-T191 PolarHBondContact O-OG1 2.97Å; S188-R192 WeakPolarHBondContact O-CG 3.3Å; S188-R192 PolarHBondContact O-N 3.15Å |
| 189 | H | 96.3 | Very high | 94.7 | Very high | 93 Ų | 93 | 105.6 Ų | 105.6 | 43% | 0.431 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.5 | -40.9 | 176.6 | -96.1 | -88 | 0 | 0 | 0 | 112.6 | I185 I186 T191 R192 L193 | I185-H189 WeakPolarHBondContact O-CB 3.38Å; I185-H189 PolarHBondContact O-N 3.18Å; I186-H189 PolarHBondContact O-N 3.07Å; H189-T191 PolarHBondContact O-N 3.02Å; H189-R192 PolarHBondContact O-N 3.29Å; H189-L193 WeakPolarHBondContact O-CB 3.35Å; H189-L193 PolarHBondContact O-N 3.5Å |
| 190 | G | 95.7 | Very high | 94.2 | Very high | 39 Ų | 39 | 107.5 Ų | 107.5 | 40% | 0.402 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.2 | -44.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | I186 R187 S188 S194 | I186-G190 PolarHBondContact O-N 3.33Å; R187-G190 PolarHBondContact O-N 2.99Å; S188-G190 VanDerWaalsContact C-N 3.33Å; S188-G190 PolarHBondContact O-N 3.46Å; G190-S194 VanDerWaalsContact O-CB 3.27Å; G190-S194 WeakPolarHBondContact O-CB 3.48Å; G190-S194 PolarHBondContact O-N 2.93Å |
| 191 | T | 94.9 | Very high | 93.6 | Very high | 68 Ų | 68 | 107 Ų | 107 | 42% | 0.417 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.8 | -40 | 175.4 | 63 | 0 | 0 | 0 | 0 | 112.4 | R187 S188 H189 S194 R195 | R187-T191 WeakPolarHBondContact O-CG2 3.47Å; R187-T191 PolarHBondContact O-N 3.33Å; S188-T191 PolarHBondContact O-N 2.94Å; S188-T191 PolarHBondContact O-OG1 2.97Å; H189-T191 PolarHBondContact O-N 3.02Å; T191-S194 PolarHBondContact O-N 3Å; T191-R195 WeakPolarHBondContact O-CG 3.07Å; T191-R195 PolarHBondContact O-N 3.37Å |
| 192 | R | 95.1 | Very high | 92.5 | Very high | 148 Ų | 148 | 106.7 Ų | 106.7 | 56% | 0.558 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.6 | -48.2 | 177.1 | -70.3 | 174 | 68.9 | -169.3 | 3.5 | 111.9 | S188 H189 S194 R195 L196 | S188-R192 WeakPolarHBondContact O-CG 3.3Å; S188-R192 PolarHBondContact O-N 3.15Å; H189-R192 PolarHBondContact O-N 3.29Å; R192-S194 VanDerWaalsContact C-N 3.33Å; R192-S194 PolarHBondContact O-N 2.77Å; R192-R195 PolarHBondContact O-N 3.24Å; R192-L196 WeakPolarHBondContact O-CB 3.46Å; R192-L196 PolarHBondContact O-N 3.21Å |
| 193 | L | 94.7 | Very high | 91 | Very high | 116 Ų | 116 | 106.3 Ų | 106.3 | 61% | 0.607 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.8 | -40.5 | 176.1 | -86.5 | 157.1 | 0 | 0 | 0 | 111.9 | H189 L196 K197 | H189-L193 WeakPolarHBondContact O-CB 3.35Å; H189-L193 PolarHBondContact O-N 3.5Å; L193-L196 PolarHBondContact O-N 2.89Å; L193-K197 WeakPolarHBondContact O-CB 3.19Å; L193-K197 PolarHBondContact O-N 3.14Å |
| 194 | S | 92.7 | Very high | 89.1 | Confident | 71 Ų | 71 | 105.9 Ų | 105.9 | 50% | 0.497 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.3 | -44.3 | 177.3 | -165.3 | 0 | 0 | 0 | 0 | 111.6 | G190 T191 R192 L196 K197 T198 | G190-S194 VanDerWaalsContact O-CB 3.27Å; G190-S194 WeakPolarHBondContact O-CB 3.48Å; G190-S194 PolarHBondContact O-N 2.93Å; T191-S194 PolarHBondContact O-N 3Å; R192-S194 VanDerWaalsContact C-N 3.33Å; R192-S194 PolarHBondContact O-N 2.77Å; S194-L196 PolarHBondContact O-N 3.45Å; S194-K197 PolarHBondContact O-N 3.36Å; S194-T198 WeakPolarHBondContact O-CG2 3.48Å; S194-T198 PolarHBondContact O-N 2.84Å; S194-T198 PolarHBondContact O-OG1 3.18Å |
| 195 | R | 91.3 | Very high | 87.2 | Confident | 167 Ų | 167 | 105.1 Ų | 105.1 | 63% | 0.63 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -57.3 | -48.9 | 172 | -78.5 | 179.9 | 173.8 | 146.4 | -1.5 | 112 | T191 R192 K197 T198 E199 | T191-R195 WeakPolarHBondContact O-CG 3.07Å; T191-R195 PolarHBondContact O-N 3.37Å; R192-R195 PolarHBondContact O-N 3.24Å; R195-K197 VanDerWaalsContact C-N 3.32Å; R195-K197 PolarHBondContact O-N 3.47Å; R195-T198 WeakPolarHBondContact CA-OG1 3.28Å; R195-T198 PolarHBondContact O-N 3.47Å; R195-T198 VanDerWaalsContact O-N 3.13Å; R195-T198 PolarHBondContact O-OG1 3.39Å; R195-E199 WeakPolarHBondContact O-CG 3.37Å; R195-E199 PolarHBondContact O-N 3.07Å |
| 196 | L | 91.8 | Very high | 85.2 | Confident | 111 Ų | 111 | 110.7 Ų | 110.7 | 58% | 0.581 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -61.7 | -40.2 | -179.5 | -138.8 | 142.6 | 0 | 0 | 0 | 111.7 | R192 L193 S194 F200 | R192-L196 WeakPolarHBondContact O-CB 3.46Å; R192-L196 PolarHBondContact O-N 3.21Å; L193-L196 PolarHBondContact O-N 2.89Å; S194-L196 PolarHBondContact O-N 3.45Å; L196-F200 WeakPolarHBondContact O-CB 3.28Å; L196-F200 PolarHBondContact O-N 3.17Å |
| 197 | K | 91.2 | Very high | 83.2 | Confident | 141 Ų | 141 | 115.7 Ų | 115.7 | 61% | 0.613 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -62.1 | -46.2 | 172.6 | 178.2 | -178.4 | 175 | -179.2 | 0 | 111.8 | L193 S194 R195 F200 L201 | L193-K197 WeakPolarHBondContact O-CB 3.19Å; L193-K197 PolarHBondContact O-N 3.14Å; S194-K197 PolarHBondContact O-N 3.36Å; R195-K197 VanDerWaalsContact C-N 3.32Å; R195-K197 PolarHBondContact O-N 3.47Å; K197-F200 PolarHBondContact O-N 2.98Å; K197-L201 HydrophobicContact CG-CD1 3.87Å; K197-L201 HydrophobicContact CG-CG 4.47Å; K197-L201 WeakPolarHBondContact O-CB 3.26Å; K197-L201 WeakPolarHBondContact O-CG 3.43Å; K197-L201 PolarHBondContact O-N 2.81Å |
| 198 | T | 89.8 | Confident | 81 | Confident | 67 Ų | 67 | 111.5 Ų | 111.5 | 41% | 0.411 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -64.6 | -39.7 | 179.2 | 50.1 | 0 | 0 | 0 | 0 | 112.3 | S194 R195 N202 | S194-T198 WeakPolarHBondContact O-CG2 3.48Å; S194-T198 PolarHBondContact O-N 2.84Å; S194-T198 PolarHBondContact O-OG1 3.18Å; R195-T198 WeakPolarHBondContact CA-OG1 3.28Å; R195-T198 PolarHBondContact O-N 3.47Å; R195-T198 VanDerWaalsContact O-N 3.13Å; R195-T198 PolarHBondContact O-OG1 3.39Å; T198-N202 VanDerWaalsContact O-CB 3.26Å; T198-N202 WeakPolarHBondContact O-CB 3.28Å; T198-N202 PolarHBondContact O-N 3.06Å; T198-N202 PolarHBondContact O-ND2 3.49Å |
| 199 | E | 87.7 | Confident | 78.5 | Confident | 122 Ų | 122 | 115.4 Ų | 115.4 | 57% | 0.57 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -62 | -46.3 | 174.2 | -74.2 | 172 | -170.2 | 0 | 0 | 111.1 | R195 L201 N202 V203 | R195-E199 WeakPolarHBondContact O-CG 3.37Å; R195-E199 PolarHBondContact O-N 3.07Å; E199-L201 PolarHBondContact O-N 3.13Å; E199-N202 PolarHBondContact O-N 3.15Å; E199-V203 WeakPolarHBondContact O-CB 3.47Å; E199-V203 VanDerWaalsContact O-CG2 3.23Å; E199-V203 WeakPolarHBondContact O-CG2 3.09Å; E199-V203 PolarHBondContact O-N 3.45Å |
| 200 | F | 87.8 | Confident | 77.6 | Confident | 167 Ų | 167 | 116.5 Ų | 116.5 | 73% | 0.732 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -62.7 | -43.6 | 179.7 | -153.4 | -85.1 | 0 | 0 | 0 | 112.6 | L196 K197 G204 | L196-F200 WeakPolarHBondContact O-CB 3.28Å; L196-F200 PolarHBondContact O-N 3.17Å; K197-F200 PolarHBondContact O-N 2.98Å; F200-G204 PolarHBondContact O-N 3.46Å |
| 201 | L | 83.7 | Confident | 76.6 | Confident | 107 Ų | 107 | 120.6 Ų | 120.6 | 56% | 0.56 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -68.8 | -38.6 | 178 | -69.8 | 171.9 | 0 | 0 | 0 | 112.3 | K197 E199 G204 S205 | K197-L201 HydrophobicContact CG-CD1 3.87Å; K197-L201 HydrophobicContact CG-CG 4.47Å; K197-L201 WeakPolarHBondContact O-CB 3.26Å; K197-L201 WeakPolarHBondContact O-CG 3.43Å; K197-L201 PolarHBondContact O-N 2.81Å; E199-L201 PolarHBondContact O-N 3.13Å; L201-G204 PolarHBondContact O-N 3.37Å; L201-S205 PolarHBondContact O-N 3.48Å |
| 202 | N | 75.1 | Confident | 75.6 | Confident | 101 Ų | 101 | 123.5 Ų | 123.5 | 54% | 0.54 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -71.5 | -36.8 | 178.4 | -73.2 | -18.2 | 0 | 0 | 0 | 112.4 | T198 E199 G204 S205 Y206 | T198-N202 VanDerWaalsContact O-CB 3.26Å; T198-N202 WeakPolarHBondContact O-CB 3.28Å; T198-N202 PolarHBondContact O-N 3.06Å; T198-N202 PolarHBondContact O-ND2 3.49Å; E199-N202 PolarHBondContact O-N 3.15Å; N202-G204 VanDerWaalsContact C-N 3.31Å; N202-G204 PolarHBondContact O-N 3.46Å; N202-S205 PolarHBondContact O-N 3.31Å; N202-Y206 WeakPolarHBondContact O-CD2 3.5Å; N202-Y206 PolarHBondContact O-N 3.44Å |
| 203 | V | 64.1 | Low | 74.5 | Confident | 93 Ų | 93 | 122.1 Ų | 122.1 | 56% | 0.564 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -66.9 | -32.8 | 175.1 | 171.7 | 0 | 0 | 0 | 0 | 111.8 | E199 S205 Y206 | E199-V203 WeakPolarHBondContact O-CB 3.47Å; E199-V203 VanDerWaalsContact O-CG2 3.23Å; E199-V203 WeakPolarHBondContact O-CG2 3.09Å; E199-V203 PolarHBondContact O-N 3.45Å; V203-S205 VanDerWaalsContact C-N 3.34Å; V203-Y206 PolarHBondContact O-N 3.37Å |
| 204 | G | 58.9 | Low | 73.2 | Confident | 44 Ų | 44 | 122.4 Ų | 122.4 | 45% | 0.454 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -64.2 | -36.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | F200 L201 N202 Y206 R207 | F200-G204 PolarHBondContact O-N 3.46Å; L201-G204 PolarHBondContact O-N 3.37Å; N202-G204 VanDerWaalsContact C-N 3.31Å; N202-G204 PolarHBondContact O-N 3.46Å; G204-Y206 VanDerWaalsContact C-N 3.34Å; G204-Y206 PolarHBondContact O-N 3.43Å; G204-R207 PolarHBondContact O-N 3.49Å |
| 205 | S | 56.5 | Low | 71.9 | Confident | 87 Ų | 87 | 125.9 Ų | 125.9 | 61% | 0.608 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -73.2 | -21.4 | 179.4 | -163.1 | 0 | 0 | 0 | 0 | 114.1 | L201 N202 V203 | L201-S205 PolarHBondContact O-N 3.48Å; N202-S205 PolarHBondContact O-N 3.31Å; V203-S205 VanDerWaalsContact C-N 3.34Å |
| 206 | Y | 54.6 | Low | 70.5 | Confident | 212 Ų | 212 | 122.9 Ų | 122.9 | 83% | 0.831 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | -4.1 | 175.1 | -85 | -81.5 | 0 | 0 | 0 | 113.8 | N202 V203 G204 | N202-Y206 WeakPolarHBondContact O-CD2 3.5Å; N202-Y206 PolarHBondContact O-N 3.44Å; V203-Y206 PolarHBondContact O-N 3.37Å; G204-Y206 VanDerWaalsContact C-N 3.34Å; G204-Y206 PolarHBondContact O-N 3.43Å |
| 207 | R | 52.8 | Low | 68.9 | Low | 226 Ų | 226 | 123.8 Ų | 123.8 | 85% | 0.853 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -104.3 | 1.8 | 177.9 | -96.4 | -175.9 | 177.9 | -170.3 | 0.2 | 114.5 | G204 | G204-R207 PolarHBondContact O-N 3.49Š|
| 208 | S | 50.4 | Low | 67 | Low | 104 Ų | 104 | 122.4 Ų | 122.4 | 73% | 0.727 | 69% | 0.69 | S | S | * | * | trans | -115.4 | 27 | 178.9 | 64 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 209 | G | 43.2 | Very low | 65 | Low | 139 Ų | 139 | 127.5 Ų | 127.5 | 100% | 1.433 | 72% | 0.716 | S | S | * | * | trans | -119.6 | 0 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.6 |
Retrieved 209 of 209 residues in 93.1 ms
(Link to these results)