| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 45.6 | Very low | 49 | Very low | 239 Ų | 239 | 163.3 Ų | 163.3 | 100% | 1.177 | 82% | 0.816 | S | S | * | * | 0 | 103.1 | 0 | -162.7 | 148.1 | 146.7 | 0 | 0 | 105 | |||||
| 2 | V | 42.3 | Very low | 49.5 | Very low | 136 Ų | 136 | 160.3 Ų | 160.3 | 82% | 0.824 | 81% | 0.813 | S | S | * | * | -150.1 | 135.6 | 81.6 | -148.4 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 3 | M | 42.1 | Very low | 50.2 | Low | 170 Ų | 170 | 155.6 Ų | 155.6 | 84% | 0.837 | 80% | 0.804 | S | S | * | * | trans | -83.3 | 131.9 | 174.6 | -63.6 | 170.5 | 78.4 | 0 | 0 | 108.6 | ||||
| 4 | S | 45.8 | Very low | 50.4 | Low | 106 Ų | 106 | 153.6 Ų | 153.6 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | trans | -89.6 | 120.9 | 167 | -55.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 5 | D | 47.5 | Very low | 51.1 | Low | 127 Ų | 127 | 153.3 Ų | 153.3 | 68% | 0.679 | 79% | 0.792 | S | S | * | * | trans | -133.4 | 129.6 | 161.3 | -93.7 | -44.4 | 0 | 0 | 0 | 113.5 | ||||
| 6 | R | 51.8 | Low | 51 | Low | 196 Ų | 196 | 153.8 Ų | 153.8 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | trans | -54.1 | 136 | -177.6 | -78.2 | 156 | -73.9 | -96.2 | -12.9 | 111.8 | ||||
| 7 | F | 49.3 | Very low | 51.9 | Low | 213 Ų | 213 | 150.7 Ų | 150.7 | 93% | 0.934 | 78% | 0.783 | S | S | * | * | 49.5 | 95.4 | 83 | -169.3 | -95.3 | 0 | 0 | 0 | 111.9 | |||||
| 8 | G | 49.5 | Very low | 51.9 | Low | 58 Ų | 58 | 148.7 Ų | 148.7 | 60% | 0.598 | 78% | 0.784 | S | S | * | * | trans | 168.2 | 96.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 9 | Q | 52.4 | Low | 51.7 | Low | 169 Ų | 169 | 146.6 Ų | 146.6 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | trans | 68.8 | 118.3 | 142.7 | -61 | 168.6 | 41.5 | 0 | 0 | 117.5 | ||||
| 10 | R | 56.8 | Low | 51.8 | Low | 246 Ų | 246 | 148 Ų | 148 | 93% | 0.928 | 79% | 0.789 | S | S | * | * | -147.7 | 113.8 | 104.7 | -63.1 | -163 | 174.5 | 72.5 | 2.8 | 108.9 | |||||
| 11 | D | 55.9 | Low | 51.7 | Low | 136 Ų | 136 | 150.3 Ų | 150.3 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | -64.2 | 149.7 | 160.2 | -61 | -56.1 | 0 | 0 | 0 | 109.7 | ||||
| 12 | T | 54.9 | Low | 52.1 | Low | 128 Ų | 128 | 145.3 Ų | 145.3 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | 161.8 | 123.9 | 125 | 40.8 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 13 | S | 58 | Low | 52.3 | Low | 99 Ų | 99 | 145.2 Ų | 145.2 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | trans | 35.6 | 133 | 140.7 | 63 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 14 | I | 54.2 | Low | 52.6 | Low | 128 Ų | 128 | 141.2 Ų | 141.2 | 66% | 0.656 | 77% | 0.766 | S | S | * | * | -157.2 | 130.4 | 72.5 | -77.8 | 147.5 | 0 | 0 | 0 | 109.4 | M16 | I14-M16 HydrophobicContact CG2-CE 3.52Å; I14-M16 HydrophobicContact CG2-CG 4.26Å; I14-M16 HydrophobicContact CG2-SD 3.9Å; I14-M16 PolarHBondContact O-N 3.38Å | |||
| 15 | L | 60.1 | Low | 53 | Low | 148 Ų | 148 | 145.1 Ų | 145.1 | 78% | 0.775 | 77% | 0.773 | S | S | * | * | trans | -63.8 | 111.5 | 165.8 | -152.6 | 82 | 0 | 0 | 0 | 108.4 | T17 | L15-T17 HydrophobicContact CD2-CG2 3.51Å; L15-T17 HydrophobicContact CG-CG2 3.82Å | ||
| 16 | M | 50.3 | Low | 53.2 | Low | 162 Ų | 162 | 147.4 Ų | 147.4 | 80% | 0.798 | 78% | 0.78 | S | S | * | * | trans | -101.2 | 89.2 | 160 | -66.1 | -55.7 | -177.7 | 0 | 0 | 107.7 | I14 | I14-M16 HydrophobicContact CG2-CE 3.52Å; I14-M16 HydrophobicContact CG2-CG 4.26Å; I14-M16 HydrophobicContact CG2-SD 3.9Å; I14-M16 PolarHBondContact O-N 3.38Å | ||
| 17 | T | 66.6 | Low | 52.8 | Low | 101 Ų | 101 | 146.7 Ų | 146.7 | 62% | 0.62 | 79% | 0.785 | S | S | * | * | trans | -72 | 159.3 | 156.8 | 61.9 | 0 | 0 | 0 | 0 | 108.2 | L15 | L15-T17 HydrophobicContact CD2-CG2 3.51Å; L15-T17 HydrophobicContact CG-CG2 3.82Å | ||
| 18 | S | 50.2 | Low | 52.8 | Low | 115 Ų | 115 | 144.1 Ų | 144.1 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | 84.9 | 122.3 | -171.4 | 82.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 19 | S | 49.4 | Very low | 52.8 | Low | 109 Ų | 109 | 149.1 Ų | 149.1 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | cis | -153.5 | 135.7 | 11.2 | -137.3 | 0 | 0 | 0 | 0 | 107.1 | K21 | S19-K21 VanDerWaalsContact C-N 3.3Å; S19-K21 PolarHBondContact O-N 3.36Å | ||
| 20 | L | 53.9 | Low | 52.7 | Low | 173 Ų | 173 | 149 Ų | 149 | 91% | 0.906 | 79% | 0.793 | S | S | * | * | trans | -58 | 100.5 | 162 | -78.2 | 163.5 | 0 | 0 | 0 | 106.6 | N22 | L20-N22 PolarHBondContact O-N 3.36Š| ||
| 21 | K | 49.3 | Very low | 52.6 | Low | 198 Ų | 198 | 147.9 Ų | 147.9 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | trans | -73 | 116.8 | 172.5 | -165.7 | 163.2 | -179.1 | -169.5 | 0 | 106.7 | S19 | S19-K21 VanDerWaalsContact C-N 3.3Å; S19-K21 PolarHBondContact O-N 3.36Å | ||
| 22 | N | 54.1 | Low | 52.6 | Low | 133 Ų | 133 | 148.1 Ų | 148.1 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | trans | -49.6 | 130.9 | 175.8 | -72.2 | -34.9 | 0 | 0 | 0 | 110.1 | L20 A24 | L20-N22 PolarHBondContact O-N 3.36Å; N22-A24 PolarHBondContact O-N 3.41Å | ||
| 23 | P | 47 | Very low | 52.4 | Low | 135 Ų | 135 | 146.8 Ų | 146.8 | 88% | 0.877 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | 19.1 | 176.8 | 31.3 | -34.9 | 0 | 0 | 0 | 113.5 | ||
| 24 | A | 48.1 | Very low | 52.3 | Low | 86 Ų | 86 | 149.9 Ų | 149.9 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | -2.2 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | N22 | N22-A24 PolarHBondContact O-N 3.41Š|
| 25 | E | 54.2 | Low | 52.2 | Low | 188 Ų | 188 | 153.1 Ų | 153.1 | 88% | 0.879 | 79% | 0.794 | S | S | * | * | trans | -133.8 | 78.9 | -178.9 | -66.1 | -172.2 | -175.9 | 0 | 0 | 110.9 | ||||
| 26 | Q | 50.6 | Low | 51.9 | Low | 175 Ų | 175 | 150.8 Ų | 150.8 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -135.7 | 105.8 | 156.2 | -81.9 | -177.1 | -13.9 | 0 | 0 | 106.8 | ||||
| 27 | Q | 44.4 | Very low | 52.1 | Low | 181 Ų | 181 | 144.7 Ų | 144.7 | 85% | 0.846 | 76% | 0.761 | S | S | * | * | trans | 161.2 | 82 | 135.6 | -85.4 | 158.9 | 35.3 | 0 | 0 | 108.9 | ||||
| 28 | D | 47.8 | Very low | 51.4 | Low | 159 Ų | 159 | 146.7 Ų | 146.7 | 85% | 0.85 | 76% | 0.763 | S | S | * | * | trans | -143 | 60 | 152.7 | -83.4 | -40.6 | 0 | 0 | 0 | 107 | ||||
| 29 | E | 50.9 | Low | 51.5 | Low | 163 Ų | 163 | 147 Ų | 147 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | trans | -131.7 | 46.3 | 168.7 | -75.2 | -64.4 | 176.1 | 0 | 0 | 110.3 | R31 | E29-R31 PolarHBondContact O-N 2.94Š| ||
| 30 | D | 50.2 | Low | 51.8 | Low | 166 Ų | 166 | 146.1 Ų | 146.1 | 89% | 0.888 | 74% | 0.738 | S | S | * | * | trans | -90 | 49.4 | 164.5 | -78.8 | -21.3 | 0 | 0 | 0 | 110.8 | ||||
| 31 | R | 53.8 | Low | 51.8 | Low | 223 Ų | 223 | 145.1 Ų | 145.1 | 84% | 0.842 | 72% | 0.723 | S | S | * | * | trans | -131.6 | 66.3 | 162.7 | -77.1 | -165.6 | 176.3 | -177.3 | 1.6 | 110.7 | E29 P33 | E29-R31 PolarHBondContact O-N 2.94Å; R31-P33 VanDerWaalsContact O-CD 3.28Å; R31-P33 WeakPolarHBondContact O-CD 3.41Å | ||
| 32 | I | 56.1 | Low | 52.1 | Low | 140 Ų | 140 | 139.2 Ų | 139.2 | 72% | 0.718 | 71% | 0.706 | S | S | * | * | trans | -68.8 | 117 | 149.3 | -57.7 | -167.6 | 0 | 0 | 0 | 106.5 | L34 | I32-L34 PolarHBondContact O-N 3.36Š| ||
| 33 | P | 52.3 | Low | 52.2 | Low | 101 Ų | 101 | 138.5 Ų | 138.5 | 66% | 0.656 | 70% | 0.699 | S | S | * | * | trans | -65.5 | 104.6 | 171.4 | -11.5 | 27.5 | 0 | 0 | 0 | 107.6 | R31 R35 | R31-P33 VanDerWaalsContact O-CD 3.28Å; R31-P33 WeakPolarHBondContact O-CD 3.41Å; P33-R35 PolarHBondContact O-N 2.92Å | ||
| 34 | L | 54.9 | Low | 52.9 | Low | 164 Ų | 164 | 138.9 Ų | 138.9 | 86% | 0.859 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | 34.3 | -176.9 | -155.2 | 77.1 | 0 | 0 | 0 | 112.8 | I32 | I32-L34 PolarHBondContact O-N 3.36Š|
| 35 | R | 52.8 | Low | 53.5 | Low | 195 Ų | 195 | 140.9 Ų | 140.9 | 74% | 0.736 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.5 | -24.7 | -172.9 | -144 | 172.4 | -173.1 | -94.3 | 1 | 113.8 | P33 | P33-R35 PolarHBondContact O-N 2.92Š|
| 36 | D | 53.4 | Low | 53.9 | Low | 100 Ų | 100 | 133.8 Ų | 133.8 | 54% | 0.535 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -87.6 | -19.3 | -176 | -67 | -8.5 | 0 | 0 | 0 | 113.7 | E38 L40 | D36-E38 VanDerWaalsContact C-N 3.33Å; D36-E38 PolarHBondContact O-N 3.29Å; D36-L40 WeakPolarHBondContact O-CB 3.25Å; D36-L40 VanDerWaalsContact O-CG 3.24Å; D36-L40 WeakPolarHBondContact O-CG 3.36Å; D36-L40 PolarHBondContact O-N 3.26Å; D36-L40 VanDerWaalsContact O-N 3.13Å |
| 37 | G | 53.8 | Low | 54.7 | Low | 34 Ų | 34 | 130.2 Ų | 130.2 | 35% | 0.351 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -70.3 | -28.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | R41 | G37-R41 WeakPolarHBondContact O-CB 3.46Å; G37-R41 WeakPolarHBondContact O-CD 3.36Å; G37-R41 WeakPolarHBondContact O-CG 3.38Å; G37-R41 PolarHBondContact O-N 3.01Å |
| 38 | E | 52.3 | Low | 56.1 | Low | 142 Ų | 142 | 124.2 Ų | 124.2 | 66% | 0.664 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -80.4 | -38.8 | 178.8 | -64.3 | -89.5 | 125.5 | 0 | 0 | 110.9 | D36 R41 S42 | D36-E38 VanDerWaalsContact C-N 3.33Å; D36-E38 PolarHBondContact O-N 3.29Å; E38-R41 PolarHBondContact O-N 3.18Å; E38-S42 VanDerWaalsContact O-CB 3.31Å; E38-S42 WeakPolarHBondContact O-CB 3.45Å; E38-S42 PolarHBondContact O-N 3.22Å; E38-S42 PolarHBondContact O-OG 3.47Å |
| 39 | E | 52.3 | Low | 57.4 | Low | 123 Ų | 123 | 121.7 Ų | 121.7 | 58% | 0.575 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -72.4 | -45.5 | -177.9 | -157.1 | 159.9 | -155.5 | 0 | 0 | 111 | R41 S42 E43 | E39-R41 VanDerWaalsContact C-N 3.28Å; E39-R41 PolarHBondContact O-N 3.44Å; E39-S42 PolarHBondContact O-N 3.46Å; E39-E43 WeakPolarHBondContact O-CB 3.35Å; E39-E43 PolarHBondContact O-N 3.02Å |
| 40 | L | 55.2 | Low | 58.4 | Low | 89 Ų | 89 | 120.7 Ų | 120.7 | 47% | 0.466 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -65.6 | -28.8 | 173.3 | -65.6 | 173.9 | 0 | 0 | 0 | 113.1 | D36 R44 | D36-L40 WeakPolarHBondContact O-CB 3.25Å; D36-L40 VanDerWaalsContact O-CG 3.24Å; D36-L40 WeakPolarHBondContact O-CG 3.36Å; D36-L40 PolarHBondContact O-N 3.26Å; D36-L40 VanDerWaalsContact O-N 3.13Å; L40-R44 VanDerWaalsContact O-CG 3.3Å; L40-R44 WeakPolarHBondContact O-CG 3.5Å; L40-R44 PolarHBondContact O-N 2.98Å; L40-R44 PolarHBondContact O-NE 3.09Å; L40-R44 PolarHBondContact O-NH1 3.35Å |
| 41 | R | 53.8 | Low | 60 | Low | 152 Ų | 152 | 116.6 Ų | 116.6 | 57% | 0.574 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -73.7 | -42 | 172.8 | -82.4 | -179.4 | 165.3 | 103.3 | -2.2 | 111.1 | G37 E38 E39 R44 H45 | G37-R41 WeakPolarHBondContact O-CB 3.46Å; G37-R41 WeakPolarHBondContact O-CD 3.36Å; G37-R41 WeakPolarHBondContact O-CG 3.38Å; G37-R41 PolarHBondContact O-N 3.01Å; E38-R41 PolarHBondContact O-N 3.18Å; E39-R41 VanDerWaalsContact C-N 3.28Å; E39-R41 PolarHBondContact O-N 3.44Å; R41-R44 VanDerWaalsContact CG-NH2 3.34Å; R41-R44 PolarHBondContact O-N 2.96Å; R41-H45 WeakPolarHBondContact O-CB 3.44Å; R41-H45 PolarHBondContact O-CD2 3.48Å; R41-H45 PolarHBondContact O-N 2.91Å |
| 42 | S | 56.7 | Low | 61.5 | Low | 74 Ų | 74 | 110 Ų | 110 | 52% | 0.517 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66.8 | -39.6 | 179.1 | -60.9 | 0 | 0 | 0 | 0 | 112.3 | E38 E39 H45 A46 | E38-S42 VanDerWaalsContact O-CB 3.31Å; E38-S42 WeakPolarHBondContact O-CB 3.45Å; E38-S42 PolarHBondContact O-N 3.22Å; E38-S42 PolarHBondContact O-OG 3.47Å; E39-S42 PolarHBondContact O-N 3.46Å; S42-H45 WeakPolarHBondContact O-CB 3.46Å; S42-H45 PolarHBondContact O-N 2.95Å; S42-A46 PolarHBondContact O-N 3.34Å |
| 43 | E | 56.1 | Low | 63.1 | Low | 119 Ų | 119 | 105.8 Ų | 105.8 | 56% | 0.556 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65 | -45.7 | 175.9 | -166.3 | 172.3 | -159.1 | 0 | 0 | 111.6 | E39 H45 A46 D47 | E39-E43 WeakPolarHBondContact O-CB 3.35Å; E39-E43 PolarHBondContact O-N 3.02Å; E43-H45 VanDerWaalsContact C-N 3.26Å; E43-H45 PolarHBondContact O-N 3.36Å; E43-A46 PolarHBondContact O-N 2.91Å; E43-D47 PolarHBondContact O-N 3.48Å |
| 44 | R | 60.6 | Low | 64.9 | Low | 143 Ų | 143 | 108.3 Ų | 108.3 | 54% | 0.54 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.7 | -33.2 | 171.3 | -74.6 | -171.5 | -62.7 | -92.8 | 0.7 | 113 | L40 R41 A48 | L40-R44 VanDerWaalsContact O-CG 3.3Å; L40-R44 WeakPolarHBondContact O-CG 3.5Å; L40-R44 PolarHBondContact O-N 2.98Å; L40-R44 PolarHBondContact O-NE 3.09Å; L40-R44 PolarHBondContact O-NH1 3.35Å; R41-R44 VanDerWaalsContact CG-NH2 3.34Å; R41-R44 PolarHBondContact O-N 2.96Å; R44-A48 WeakPolarHBondContact O-CB 3.37Å; R44-A48 PolarHBondContact O-N 3.35Å |
| 45 | H | 62.3 | Low | 66.7 | Low | 127 Ų | 127 | 109.4 Ų | 109.4 | 59% | 0.588 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -70.1 | -44.1 | 177.2 | -90.4 | -65.9 | 0 | 0 | 0 | 111.9 | R41 S42 E43 A48 I49 | R41-H45 WeakPolarHBondContact O-CB 3.44Å; R41-H45 PolarHBondContact O-CD2 3.48Å; R41-H45 PolarHBondContact O-N 2.91Å; S42-H45 WeakPolarHBondContact O-CB 3.46Å; S42-H45 PolarHBondContact O-N 2.95Å; E43-H45 VanDerWaalsContact C-N 3.26Å; E43-H45 PolarHBondContact O-N 3.36Å; H45-A48 PolarHBondContact O-N 3.03Å; H45-I49 WeakPolarHBondContact O-CD1 3.26Å; H45-I49 WeakPolarHBondContact O-CG1 3.48Å; H45-I49 PolarHBondContact O-N 2.98Å |
| 46 | A | 61.9 | Low | 68.7 | Low | 40 Ų | 40 | 106.4 Ų | 106.4 | 33% | 0.331 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.6 | -49.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | S42 E43 A48 I49 F50 | S42-A46 PolarHBondContact O-N 3.34Å; E43-A46 PolarHBondContact O-N 2.91Å; A46-A48 VanDerWaalsContact C-N 3.33Å; A46-A48 PolarHBondContact O-N 2.95Å; A46-I49 PolarHBondContact O-N 3.23Å; A46-I49 VanDerWaalsContact O-N 3.14Å; A46-F50 WeakPolarHBondContact O-CD2 3.28Å; A46-F50 PolarHBondContact O-N 3.44Å |
| 47 | D | 67.4 | Low | 70.6 | Confident | 99 Ų | 99 | 105.1 Ų | 105.1 | 53% | 0.529 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.6 | -38.8 | 178.6 | -81.2 | -7.8 | 0 | 0 | 0 | 112.4 | E43 I49 T51 | E43-D47 PolarHBondContact O-N 3.48Å; D47-I49 VanDerWaalsContact C-N 3.35Å; D47-I49 PolarHBondContact O-N 3.07Å; D47-T51 WeakPolarHBondContact O-CB 3.35Å; D47-T51 PolarHBondContact O-N 2.83Å; D47-T51 PolarHBondContact O-OG1 2.61Å |
| 48 | A | 74.1 | Confident | 72.6 | Confident | 55 Ų | 55 | 107 Ų | 107 | 46% | 0.455 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66 | -36.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | R44 H45 A46 N52 | R44-A48 WeakPolarHBondContact O-CB 3.37Å; R44-A48 PolarHBondContact O-N 3.35Å; H45-A48 PolarHBondContact O-N 3.03Å; A46-A48 VanDerWaalsContact C-N 3.33Å; A46-A48 PolarHBondContact O-N 2.95Å; A48-N52 WeakPolarHBondContact O-CB 3.36Å; A48-N52 PolarHBondContact O-N 3.32Å |
| 49 | I | 74.6 | Confident | 74.7 | Confident | 106 Ų | 106 | 101.9 Ų | 101.9 | 54% | 0.544 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68 | -51.2 | 178.2 | -71.2 | 164.8 | 0 | 0 | 0 | 110.5 | H45 A46 D47 S53 | H45-I49 WeakPolarHBondContact O-CD1 3.26Å; H45-I49 WeakPolarHBondContact O-CG1 3.48Å; H45-I49 PolarHBondContact O-N 2.98Å; A46-I49 PolarHBondContact O-N 3.23Å; A46-I49 VanDerWaalsContact O-N 3.14Å; D47-I49 VanDerWaalsContact C-N 3.35Å; D47-I49 PolarHBondContact O-N 3.07Å; I49-S53 VanDerWaalsContact O-CB 3.29Å; I49-S53 WeakPolarHBondContact O-CB 3.1Å; I49-S53 PolarHBondContact O-N 3.48Å; I49-S53 PolarHBondContact O-OG 3Å |
| 50 | F | 73.1 | Confident | 76.8 | Confident | 143 Ų | 143 | 102.8 Ų | 102.8 | 63% | 0.627 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -68.7 | -40 | -179.4 | -67.8 | -64.5 | 0 | 0 | 0 | 111.7 | A46 S53 Y54 | A46-F50 WeakPolarHBondContact O-CD2 3.28Å; A46-F50 PolarHBondContact O-N 3.44Å; F50-S53 WeakPolarHBondContact CA-OG 3.23Å; F50-S53 PolarHBondContact O-OG 3.11Å; F50-Y54 WeakPolarHBondContact O-CB 3.44Å; F50-Y54 PolarHBondContact O-N 2.83Å |
| 51 | T | 82.9 | Confident | 78.7 | Confident | 79 Ų | 79 | 102.1 Ų | 102.1 | 49% | 0.485 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.5 | -44.1 | 176.7 | -60 | 0 | 0 | 0 | 0 | 112 | D47 R55 | D47-T51 WeakPolarHBondContact O-CB 3.35Å; D47-T51 PolarHBondContact O-N 2.83Å; D47-T51 PolarHBondContact O-OG1 2.61Å; T51-R55 WeakPolarHBondContact O-CB 3.31Å; T51-R55 WeakPolarHBondContact O-CG 3.46Å; T51-R55 PolarHBondContact O-N 3.12Å |
| 52 | N | 84.9 | Confident | 80.7 | Confident | 86 Ų | 86 | 98.2 Ų | 98.2 | 46% | 0.46 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -69 | -48.4 | 179.9 | -174.5 | -13.5 | 0 | 0 | 0 | 111.7 | A48 Y54 R55 K56 | A48-N52 WeakPolarHBondContact O-CB 3.36Å; A48-N52 PolarHBondContact O-N 3.32Å; N52-Y54 PolarHBondContact O-N 3.1Å; N52-R55 PolarHBondContact O-N 2.85Å; N52-K56 WeakPolarHBondContact O-CG 3.38Å; N52-K56 PolarHBondContact O-N 2.98Å; N52-K56 WeakPolarHBondContact OD1-CE 3.34Å |
| 53 | S | 88.9 | Confident | 82.5 | Confident | 50 Ų | 50 | 96.9 Ų | 96.9 | 35% | 0.35 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.9 | -42.5 | 178 | 57.8 | 0 | 0 | 0 | 0 | 112 | I49 F50 K56 V57 | I49-S53 VanDerWaalsContact O-CB 3.29Å; I49-S53 WeakPolarHBondContact O-CB 3.1Å; I49-S53 PolarHBondContact O-N 3.48Å; I49-S53 PolarHBondContact O-OG 3Å; F50-S53 WeakPolarHBondContact CA-OG 3.23Å; F50-S53 PolarHBondContact O-OG 3.11Å; S53-K56 WeakPolarHBondContact O-CB 3.49Å; S53-K56 PolarHBondContact O-N 3.43Å; S53-V57 WeakPolarHBondContact O-CG2 3.33Å; S53-V57 PolarHBondContact O-N 2.94Å |
| 54 | Y | 90.9 | Very high | 84.2 | Confident | 154 Ų | 154 | 97.4 Ų | 97.4 | 60% | 0.604 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.4 | -47.6 | 175.6 | -178.5 | -114.3 | 0 | 0 | 0 | 111.9 | F50 N52 K56 V57 L58 | F50-Y54 WeakPolarHBondContact O-CB 3.44Å; F50-Y54 PolarHBondContact O-N 2.83Å; N52-Y54 PolarHBondContact O-N 3.1Å; Y54-K56 VanDerWaalsContact C-N 3.3Å; Y54-K56 PolarHBondContact O-N 2.91Å; Y54-V57 PolarHBondContact O-N 3.33Å; Y54-L58 HydrophobicContact CD1-CD1 3.92Å; Y54-L58 HydrophobicContact CD1-CG 4.48Å; Y54-L58 HydrophobicContact CE1-CD1 3.37Å; Y54-L58 HydrophobicContact CE1-CG 4.14Å; Y54-L58 HydrophobicContact CE2-CD1 4.25Å; Y54-L58 HydrophobicContact CE2-CD2 4.37Å; Y54-L58 HydrophobicContact CE2-CG 4.17Å; Y54-L58 WeakPolarHBondContact O-CG 3.21Å; Y54-L58 PolarHBondContact O-N 3.31Å |
| 55 | R | 92.8 | Very high | 85.5 | Confident | 188 Ų | 188 | 96.9 Ų | 96.9 | 71% | 0.709 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.3 | -36.8 | 176.3 | -71.3 | 176.7 | 103.9 | -174.1 | 6.3 | 112.5 | T51 N52 G59 | T51-R55 WeakPolarHBondContact O-CB 3.31Å; T51-R55 WeakPolarHBondContact O-CG 3.46Å; T51-R55 PolarHBondContact O-N 3.12Å; N52-R55 PolarHBondContact O-N 2.85Å; R55-G59 PolarHBondContact O-N 3.17Å |
| 56 | K | 94.2 | Very high | 86.8 | Confident | 131 Ų | 131 | 97 Ų | 97 | 57% | 0.57 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.2 | -48.1 | 174.6 | -75.6 | 173.5 | 173.3 | 174.9 | 0 | 112 | N52 S53 Y54 G59 Q60 | N52-K56 WeakPolarHBondContact O-CG 3.38Å; N52-K56 PolarHBondContact O-N 2.98Å; N52-K56 WeakPolarHBondContact OD1-CE 3.34Å; S53-K56 WeakPolarHBondContact O-CB 3.49Å; S53-K56 PolarHBondContact O-N 3.43Å; Y54-K56 VanDerWaalsContact C-N 3.3Å; Y54-K56 PolarHBondContact O-N 2.91Å; K56-G59 PolarHBondContact O-N 3.17Å; K56-Q60 WeakPolarHBondContact O-CG 3.4Å; K56-Q60 PolarHBondContact O-N 2.83Å |
| 57 | V | 94.9 | Very high | 88.3 | Confident | 74 Ų | 74 | 99.7 Ų | 99.7 | 45% | 0.448 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.3 | -44.7 | 177.8 | 173.2 | 0 | 0 | 0 | 0 | 110.5 | S53 Y54 G59 Q60 I61 | S53-V57 WeakPolarHBondContact O-CG2 3.33Å; S53-V57 PolarHBondContact O-N 2.94Å; Y54-V57 PolarHBondContact O-N 3.33Å; V57-G59 VanDerWaalsContact C-N 3.3Å; V57-G59 PolarHBondContact O-N 2.81Å; V57-Q60 WeakPolarHBondContact O-CB 3.45Å; V57-Q60 PolarHBondContact O-N 3.07Å; V57-Q60 VanDerWaalsContact O-N 3.14Å; V57-I61 HydrophobicContact CG1-CD1 3.82Å; V57-I61 HydrophobicContact CG1-CG1 4.41Å; V57-I61 WeakPolarHBondContact O-CG1 3.5Å; V57-I61 PolarHBondContact O-N 2.92Å |
| 58 | L | 95.4 | Very high | 89 | Confident | 73 Ų | 73 | 98 Ų | 98 | 38% | 0.382 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.7 | -38.3 | 174.3 | -73.2 | -175.7 | 0 | 0 | 0 | 112.6 | Y54 Q60 I61 S62 | Y54-L58 HydrophobicContact CD1-CD1 3.92Å; Y54-L58 HydrophobicContact CD1-CG 4.48Å; Y54-L58 HydrophobicContact CE1-CD1 3.37Å; Y54-L58 HydrophobicContact CE1-CG 4.14Å; Y54-L58 HydrophobicContact CE2-CD1 4.25Å; Y54-L58 HydrophobicContact CE2-CD2 4.37Å; Y54-L58 HydrophobicContact CE2-CG 4.17Å; Y54-L58 WeakPolarHBondContact O-CG 3.21Å; Y54-L58 PolarHBondContact O-N 3.31Å; L58-Q60 VanDerWaalsContact C-N 3.35Å; L58-I61 PolarHBondContact O-N 2.91Å; L58-S62 WeakPolarHBondContact O-CB 3.18Å; L58-S62 PolarHBondContact O-N 2.95Å; L58-S62 PolarHBondContact O-OG 2.85Å |
| 59 | G | 96.4 | Very high | 89.5 | Confident | 35 Ų | 35 | 99.1 Ų | 99.1 | 36% | 0.361 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.6 | -40.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | R55 K56 V57 S62 A63 | R55-G59 PolarHBondContact O-N 3.17Å; K56-G59 PolarHBondContact O-N 3.17Å; V57-G59 VanDerWaalsContact C-N 3.3Å; V57-G59 PolarHBondContact O-N 2.81Å; G59-S62 PolarHBondContact O-OG 3.49Å; G59-A63 VanDerWaalsContact O-CB 3.27Å; G59-A63 WeakPolarHBondContact O-CB 3.18Å; G59-A63 PolarHBondContact O-N 3.29Å |
| 60 | Q | 95.8 | Very high | 90.1 | Very high | 142 Ų | 142 | 97.9 Ų | 97.9 | 66% | 0.664 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -67 | -43.6 | 174.4 | -69.3 | 177.7 | -16.3 | 0 | 0 | 111.8 | K56 V57 L58 R64 | K56-Q60 WeakPolarHBondContact O-CG 3.4Å; K56-Q60 PolarHBondContact O-N 2.83Å; V57-Q60 WeakPolarHBondContact O-CB 3.45Å; V57-Q60 PolarHBondContact O-N 3.07Å; V57-Q60 VanDerWaalsContact O-N 3.14Å; L58-Q60 VanDerWaalsContact C-N 3.35Å; Q60-R64 VanDerWaalsContact O-CB 3.3Å; Q60-R64 WeakPolarHBondContact O-CB 3.38Å; Q60-R64 PolarHBondContact O-N 3.48Å |
| 61 | I | 94.4 | Very high | 90.6 | Very high | 75 Ų | 75 | 96.6 Ų | 96.6 | 39% | 0.385 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.3 | -45.7 | 177.9 | -67.9 | 167.9 | 0 | 0 | 0 | 110.5 | V57 L58 R64 K65 | V57-I61 HydrophobicContact CG1-CD1 3.82Å; V57-I61 HydrophobicContact CG1-CG1 4.41Å; V57-I61 WeakPolarHBondContact O-CG1 3.5Å; V57-I61 PolarHBondContact O-N 2.92Å; L58-I61 PolarHBondContact O-N 2.91Å; I61-R64 PolarHBondContact O-N 3.39Å; I61-K65 HydrophobicContact CG2-CD 4.16Å; I61-K65 WeakPolarHBondContact O-CB 3.45Å; I61-K65 WeakPolarHBondContact O-CG 3.21Å; I61-K65 PolarHBondContact O-N 2.97Å |
| 62 | S | 95.4 | Very high | 89.8 | Confident | 69 Ų | 69 | 93.6 Ų | 93.6 | 48% | 0.483 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -67 | -43.5 | -179.4 | 68.2 | 0 | 0 | 0 | 0 | 111.8 | L58 G59 R64 K65 F66 | L58-S62 WeakPolarHBondContact O-CB 3.18Å; L58-S62 PolarHBondContact O-N 2.95Å; L58-S62 PolarHBondContact O-OG 2.85Å; G59-S62 PolarHBondContact O-OG 3.49Å; S62-R64 VanDerWaalsContact C-N 3.35Å; S62-R64 PolarHBondContact O-N 2.95Å; S62-K65 PolarHBondContact O-N 2.93Å; S62-F66 VanDerWaalsContact O-CB 3.3Å; S62-F66 WeakPolarHBondContact O-CB 3.43Å; S62-F66 PolarHBondContact O-N 3.42Å |
| 63 | A | 95.4 | Very high | 88.7 | Confident | 47 Ų | 47 | 98.1 Ų | 98.1 | 39% | 0.388 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.2 | -44.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | G59 F66 L67 | G59-A63 VanDerWaalsContact O-CB 3.27Å; G59-A63 WeakPolarHBondContact O-CB 3.18Å; G59-A63 PolarHBondContact O-N 3.29Å; A63-F66 PolarHBondContact O-N 3.38Å; A63-L67 WeakPolarHBondContact O-CB 3.49Å; A63-L67 WeakPolarHBondContact O-CG 3.49Å; A63-L67 PolarHBondContact O-N 2.98Å |
| 64 | R | 91 | Very high | 87.2 | Confident | 130 Ų | 130 | 106 Ų | 106 | 49% | 0.491 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.1 | -48.1 | 175.7 | -176.9 | 176.1 | 175.7 | 179.1 | -2.1 | 111.5 | Q60 I61 S62 F66 L67 Q68 | Q60-R64 VanDerWaalsContact O-CB 3.3Å; Q60-R64 WeakPolarHBondContact O-CB 3.38Å; Q60-R64 PolarHBondContact O-N 3.48Å; I61-R64 PolarHBondContact O-N 3.39Å; S62-R64 VanDerWaalsContact C-N 3.35Å; S62-R64 PolarHBondContact O-N 2.95Å; R64-F66 VanDerWaalsContact C-N 3.35Å; R64-F66 PolarHBondContact O-N 2.77Å; R64-L67 PolarHBondContact O-N 3.43Å; R64-Q68 WeakPolarHBondContact O-CB 3.24Å; R64-Q68 WeakPolarHBondContact O-CG 3.45Å; R64-Q68 PolarHBondContact O-N 3.37Å |
| 65 | K | 88 | Confident | 85.5 | Confident | 132 Ų | 132 | 102.9 Ų | 102.9 | 57% | 0.574 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.6 | -39.6 | 177.2 | -77 | -179.7 | 170.5 | -176.6 | 0 | 112.5 | I61 S62 Q68 T69 | I61-K65 HydrophobicContact CG2-CD 4.16Å; I61-K65 WeakPolarHBondContact O-CB 3.45Å; I61-K65 WeakPolarHBondContact O-CG 3.21Å; I61-K65 PolarHBondContact O-N 2.97Å; S62-K65 PolarHBondContact O-N 2.93Å; K65-Q68 WeakPolarHBondContact O-CB 3.3Å; K65-Q68 PolarHBondContact O-N 3.29Å; K65-T69 WeakPolarHBondContact O-CB 3.3Å; K65-T69 PolarHBondContact O-N 3.21Å; K65-T69 PolarHBondContact O-OG1 3.38Å |
| 66 | F | 91.4 | Very high | 83.8 | Confident | 128 Ų | 128 | 97.7 Ų | 97.7 | 56% | 0.561 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.6 | -48.6 | 177.4 | 175.4 | -106.5 | 0 | 0 | 0 | 111.8 | S62 A63 R64 Q68 T69 I70 | S62-F66 VanDerWaalsContact O-CB 3.3Å; S62-F66 WeakPolarHBondContact O-CB 3.43Å; S62-F66 PolarHBondContact O-N 3.42Å; A63-F66 PolarHBondContact O-N 3.38Å; R64-F66 VanDerWaalsContact C-N 3.35Å; R64-F66 PolarHBondContact O-N 2.77Å; F66-Q68 VanDerWaalsContact C-N 3.34Å; F66-Q68 PolarHBondContact O-N 2.84Å; F66-T69 WeakPolarHBondContact O-CB 3.33Å; F66-T69 PolarHBondContact O-N 3.02Å; F66-T69 VanDerWaalsContact O-N 3.12Å; F66-I70 HydrophobicContact CD1-CD1 4.09Å; F66-I70 HydrophobicContact CD2-CD1 4.15Å; F66-I70 HydrophobicContact CE1-CD1 3.45Å; F66-I70 VanDerWaalsContact CE1-CD1 3.45Å; F66-I70 HydrophobicContact CE2-CD1 3.52Å; F66-I70 HydrophobicContact CE2-CG1 4.31Å; F66-I70 HydrophobicContact CG-CD1 4.43Å; F66-I70 HydrophobicContact CZ-CD1 3.15Å; F66-I70 HydrophobicContact CZ-CG1 4.34Å; F66-I70 PolarHBondContact O-N 2.74Å |
| 67 | L | 91.4 | Very high | 82.2 | Confident | 98 Ų | 98 | 98 Ų | 98 | 51% | 0.513 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.1 | -44.6 | 174.6 | -71 | 170.4 | 0 | 0 | 0 | 111.1 | A63 R64 T69 I70 M71 | A63-L67 WeakPolarHBondContact O-CB 3.49Å; A63-L67 WeakPolarHBondContact O-CG 3.49Å; A63-L67 PolarHBondContact O-N 2.98Å; R64-L67 PolarHBondContact O-N 3.43Å; L67-T69 VanDerWaalsContact C-N 3.28Å; L67-T69 PolarHBondContact O-N 3.47Å; L67-I70 PolarHBondContact O-N 3.44Å; L67-M71 HydrophobicContact CB-CE 4.24Å; L67-M71 VanDerWaalsContact O-CB 3.3Å; L67-M71 WeakPolarHBondContact O-CB 3.5Å; L67-M71 VanDerWaalsContact O-CG 3.24Å; L67-M71 WeakPolarHBondContact O-CG 3.38Å; L67-M71 PolarHBondContact O-N 2.9Å |
| 68 | Q | 83.8 | Confident | 80.5 | Confident | 64 Ų | 64 | 98.9 Ų | 98.9 | 30% | 0.299 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -57.5 | -40.8 | 173.5 | -76.6 | 172 | -26.3 | 0 | 0 | 112.2 | R64 K65 F66 G72 M83 | R64-Q68 WeakPolarHBondContact O-CB 3.24Å; R64-Q68 WeakPolarHBondContact O-CG 3.45Å; R64-Q68 PolarHBondContact O-N 3.37Å; K65-Q68 WeakPolarHBondContact O-CB 3.3Å; K65-Q68 PolarHBondContact O-N 3.29Å; F66-Q68 VanDerWaalsContact C-N 3.34Å; F66-Q68 PolarHBondContact O-N 2.84Å; Q68-G72 WeakPolarHBondContact O-CA 3.49Å; Q68-G72 PolarHBondContact O-N 2.93Å; Q68-M83 VanDerWaalsContact NE2-CE 3.34Å |
| 69 | T | 84.1 | Confident | 79 | Confident | 78 Ų | 78 | 98 Ų | 98 | 48% | 0.479 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.6 | -43.5 | 179 | -58.7 | 0 | 0 | 0 | 0 | 111.4 | K65 F66 L67 K73 | K65-T69 WeakPolarHBondContact O-CB 3.3Å; K65-T69 PolarHBondContact O-N 3.21Å; K65-T69 PolarHBondContact O-OG1 3.38Å; F66-T69 WeakPolarHBondContact O-CB 3.33Å; F66-T69 PolarHBondContact O-N 3.02Å; F66-T69 VanDerWaalsContact O-N 3.12Å; L67-T69 VanDerWaalsContact C-N 3.28Å; L67-T69 PolarHBondContact O-N 3.47Å; T69-K73 HydrophobicContact CG2-CD 4.5Å; T69-K73 VanDerWaalsContact O-CB 3.31Å; T69-K73 WeakPolarHBondContact O-CB 3.48Å; T69-K73 VanDerWaalsContact O-CG 3.23Å; T69-K73 WeakPolarHBondContact O-CG 3.33Å; T69-K73 PolarHBondContact O-N 3.14Å |
| 70 | I | 87.6 | Confident | 77.4 | Confident | 80 Ų | 80 | 102.8 Ų | 102.8 | 41% | 0.41 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -72.8 | -39.4 | -179.6 | -67.7 | 178.3 | 0 | 0 | 0 | 111.6 | F66 L67 | F66-I70 HydrophobicContact CD1-CD1 4.09Å; F66-I70 HydrophobicContact CD2-CD1 4.15Å; F66-I70 HydrophobicContact CE1-CD1 3.45Å; F66-I70 VanDerWaalsContact CE1-CD1 3.45Å; F66-I70 HydrophobicContact CE2-CD1 3.52Å; F66-I70 HydrophobicContact CE2-CG1 4.31Å; F66-I70 HydrophobicContact CG-CD1 4.43Å; F66-I70 HydrophobicContact CZ-CD1 3.15Å; F66-I70 HydrophobicContact CZ-CG1 4.34Å; F66-I70 PolarHBondContact O-N 2.74Å; L67-I70 PolarHBondContact O-N 3.44Å |
| 71 | M | 82.9 | Confident | 76 | Confident | 115 Ų | 115 | 98.5 Ų | 98.5 | 57% | 0.567 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -69.8 | -41.4 | 175 | -67 | -170.9 | -59.8 | 0 | 0 | 111.4 | L67 R74 | L67-M71 HydrophobicContact CB-CE 4.24Å; L67-M71 VanDerWaalsContact O-CB 3.3Å; L67-M71 WeakPolarHBondContact O-CB 3.5Å; L67-M71 VanDerWaalsContact O-CG 3.24Å; L67-M71 WeakPolarHBondContact O-CG 3.38Å; L67-M71 PolarHBondContact O-N 2.9Å; M71-R74 WeakPolarHBondContact O-CB 3.39Å; M71-R74 PolarHBondContact O-N 2.91Å |
| 72 | G | 66.3 | Low | 74.6 | Confident | 17 Ų | 17 | 100.9 Ų | 100.9 | 18% | 0.175 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -71.2 | -30.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q68 R74 L75 G76 | Q68-G72 WeakPolarHBondContact O-CA 3.49Å; Q68-G72 PolarHBondContact O-N 2.93Å; G72-R74 PolarHBondContact O-N 2.94Å; G72-L75 CarbonylContact O-C 3.35Å; G72-L75 PolarHBondContact O-N 3.42Å; G72-G76 PolarHBondContact O-N 2.85Å |
| 73 | K | 60.7 | Low | 73.4 | Confident | 180 Ų | 180 | 101.3 Ų | 101.3 | 78% | 0.783 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -16.3 | 169.3 | -86.7 | -179.8 | 168 | -168.1 | 0 | 113.7 | T69 | T69-K73 HydrophobicContact CG2-CD 4.5Å; T69-K73 VanDerWaalsContact O-CB 3.31Å; T69-K73 WeakPolarHBondContact O-CB 3.48Å; T69-K73 VanDerWaalsContact O-CG 3.23Å; T69-K73 WeakPolarHBondContact O-CG 3.33Å; T69-K73 PolarHBondContact O-N 3.14Å |
| 74 | R | 58.5 | Low | 72.3 | Confident | 217 Ų | 217 | 105.7 Ų | 105.7 | 82% | 0.819 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | -15 | 174.3 | -59.6 | -172.6 | 177.4 | -159.5 | -1.4 | 113.8 | M71 G72 | M71-R74 WeakPolarHBondContact O-CB 3.39Å; M71-R74 PolarHBondContact O-N 2.91Å; G72-R74 PolarHBondContact O-N 2.94Å |
| 75 | L | 55.3 | Low | 71.3 | Confident | 88 Ų | 88 | 106.4 Ų | 106.4 | 46% | 0.461 | 53% | 0.525 | S | S | . | . | trans | -144.8 | 59.8 | -165.5 | -66.9 | 162.7 | 0 | 0 | 0 | 110.4 | G72 D77 E78 | G72-L75 CarbonylContact O-C 3.35Å; G72-L75 PolarHBondContact O-N 3.42Å; L75-D77 PolarHBondContact O-N 2.79Å; L75-E78 HydrophobicContact CB-CB 3.93Å; L75-E78 WeakPolarHBondContact CD2-OE2 3.47Å; L75-E78 PolarHBondContact O-N 3.35Å | ||
| 76 | G | 56.8 | Low | 70.6 | Confident | 78 Ų | 78 | 104.1 Ų | 104.1 | 80% | 0.804 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 1.8 | -169.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | G72 | G72-G76 PolarHBondContact O-N 2.85Š|
| 77 | D | 59.9 | Low | 69.7 | Low | 139 Ų | 139 | 101.2 Ų | 101.2 | 74% | 0.743 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.4 | -15.3 | 176.9 | -153.6 | 15.6 | 0 | 0 | 0 | 112.7 | L75 | L75-D77 PolarHBondContact O-N 2.79Š|
| 78 | E | 60.2 | Low | 69.1 | Low | 91 Ų | 91 | 100.4 Ų | 100.4 | 43% | 0.425 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -88.1 | -20.4 | -175.5 | -160.4 | 167.1 | 179.8 | 0 | 0 | 112.9 | L75 S81 Y82 | L75-E78 HydrophobicContact CB-CB 3.93Å; L75-E78 WeakPolarHBondContact CD2-OE2 3.47Å; L75-E78 PolarHBondContact O-N 3.35Å; E78-S81 WeakPolarHBondContact CA-OG 3.49Å; E78-S81 PolarHBondContact O-N 3.29Å; E78-S81 PolarHBondContact O-OG 3.44Å; E78-Y82 HydrophobicContact CG-CD2 4.46Å; E78-Y82 WeakPolarHBondContact O-CB 3.32Å; E78-Y82 PolarHBondContact O-N 3.48Å |
| 79 | S | 63.3 | Low | 69 | Low | 55 Ų | 55 | 102.2 Ų | 102.2 | 39% | 0.385 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69.5 | -38.1 | 176.7 | 62.8 | 0 | 0 | 0 | 0 | 112.7 | Y82 M83 | S79-Y82 PolarHBondContact O-N 3.46Å; S79-M83 WeakPolarHBondContact O-CG 3.3Å; S79-M83 PolarHBondContact O-N 2.92Å |
| 80 | E | 63.9 | Low | 68.7 | Low | 135 Ų | 135 | 106.5 Ų | 106.5 | 63% | 0.631 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.3 | -42.9 | 174.5 | -82.4 | -63.7 | 155.6 | 0 | 0 | 110.9 | Y82 M83 K84 | E80-Y82 VanDerWaalsContact C-N 3.29Å; E80-Y82 PolarHBondContact O-N 2.94Å; E80-M83 PolarHBondContact O-N 2.97Å; E80-K84 WeakPolarHBondContact O-CB 3.44Å; E80-K84 PolarHBondContact O-N 3Å |
| 81 | S | 64.8 | Low | 68.4 | Low | 52 Ų | 52 | 107 Ų | 107 | 36% | 0.364 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66 | -30.9 | 175.9 | 75.7 | 0 | 0 | 0 | 0 | 112.6 | E78 R85 | E78-S81 WeakPolarHBondContact CA-OG 3.49Å; E78-S81 PolarHBondContact O-N 3.29Å; E78-S81 PolarHBondContact O-OG 3.44Å; S81-R85 WeakPolarHBondContact O-CB 3.45Å; S81-R85 PolarHBondContact O-N 3.12Å |
| 82 | Y | 66.2 | Low | 68.5 | Low | 125 Ų | 125 | 103.3 Ų | 103.3 | 49% | 0.49 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69.9 | -44.3 | 171.9 | -116.4 | -91.2 | 0 | 0 | 0 | 113.1 | E78 S79 E80 K84 R85 Q86 | E78-Y82 HydrophobicContact CG-CD2 4.46Å; E78-Y82 WeakPolarHBondContact O-CB 3.32Å; E78-Y82 PolarHBondContact O-N 3.48Å; S79-Y82 PolarHBondContact O-N 3.46Å; E80-Y82 VanDerWaalsContact C-N 3.29Å; E80-Y82 PolarHBondContact O-N 2.94Å; Y82-K84 VanDerWaalsContact C-N 3.35Å; Y82-R85 PolarHBondContact O-N 2.88Å; Y82-Q86 WeakPolarHBondContact O-CB 3.47Å; Y82-Q86 WeakPolarHBondContact O-CG 3.27Å; Y82-Q86 PolarHBondContact O-N 2.97Å |
| 83 | M | 70.8 | Confident | 69.4 | Low | 79 Ų | 79 | 106.2 Ų | 106.2 | 39% | 0.389 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.4 | -40.5 | 176 | -70.5 | -71.5 | 93.1 | 0 | 0 | 111.3 | Q68 S79 E80 Q86 S87 | Q68-M83 VanDerWaalsContact NE2-CE 3.34Å; S79-M83 WeakPolarHBondContact O-CG 3.3Å; S79-M83 PolarHBondContact O-N 2.92Å; E80-M83 PolarHBondContact O-N 2.97Å; M83-Q86 PolarHBondContact O-N 3.33Å; M83-S87 WeakPolarHBondContact O-CB 3.46Å; M83-S87 PolarHBondContact O-N 2.89Å |
| 84 | K | 71.2 | Confident | 70.4 | Confident | 138 Ų | 138 | 102.8 Ų | 102.8 | 60% | 0.6 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.7 | -49.3 | 173.5 | -174.3 | 161.9 | 179.2 | 174.9 | 0 | 111.8 | E80 Y82 Q86 S87 D88 | E80-K84 WeakPolarHBondContact O-CB 3.44Å; E80-K84 PolarHBondContact O-N 3Å; Y82-K84 VanDerWaalsContact C-N 3.35Å; K84-Q86 VanDerWaalsContact C-N 3.3Å; K84-Q86 PolarHBondContact O-N 2.83Å; K84-S87 WeakPolarHBondContact O-CA 3.03Å; K84-S87 WeakPolarHBondContact O-CB 3.47Å; K84-S87 PolarHBondContact O-N 3.47Å; K84-D88 PolarHBondContact O-N 3.14Å |
| 85 | R | 70.8 | Confident | 71.7 | Confident | 146 Ų | 146 | 97.9 Ų | 97.9 | 55% | 0.551 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -58.7 | -40.5 | 175.5 | -171.6 | -174 | -62.8 | -179.3 | 2.3 | 112 | S81 Y82 I89 | S81-R85 WeakPolarHBondContact O-CB 3.45Å; S81-R85 PolarHBondContact O-N 3.12Å; Y82-R85 PolarHBondContact O-N 2.88Å; R85-I89 HydrophobicContact CG-CD1 4.06Å; R85-I89 WeakPolarHBondContact O-CD1 3.31Å; R85-I89 WeakPolarHBondContact O-CG1 3.23Å; R85-I89 PolarHBondContact O-N 2.72Å; R85-I89 VanDerWaalsContact O-N 3.12Å |
| 86 | Q | 71.9 | Confident | 73.3 | Confident | 83 Ų | 83 | 99.6 Ų | 99.6 | 39% | 0.388 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.7 | -40.1 | 175.2 | -78.3 | -166.9 | -40.2 | 0 | 0 | 112.4 | Y82 M83 K84 Y90 | Y82-Q86 WeakPolarHBondContact O-CB 3.47Å; Y82-Q86 WeakPolarHBondContact O-CG 3.27Å; Y82-Q86 PolarHBondContact O-N 2.97Å; M83-Q86 PolarHBondContact O-N 3.33Å; K84-Q86 VanDerWaalsContact C-N 3.3Å; K84-Q86 PolarHBondContact O-N 2.83Å; Q86-Y90 PolarHBondContact O-N 3.06Å |
| 87 | S | 73.1 | Confident | 74.9 | Confident | 67 Ų | 67 | 98.1 Ų | 98.1 | 47% | 0.469 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.9 | -47.2 | 174.2 | -176.9 | 0 | 0 | 0 | 0 | 111.7 | M83 K84 I89 Y90 E91 | M83-S87 WeakPolarHBondContact O-CB 3.46Å; M83-S87 PolarHBondContact O-N 2.89Å; K84-S87 WeakPolarHBondContact O-CA 3.03Å; K84-S87 WeakPolarHBondContact O-CB 3.47Å; K84-S87 PolarHBondContact O-N 3.47Å; S87-I89 VanDerWaalsContact C-N 3.28Å; S87-I89 PolarHBondContact O-N 2.91Å; S87-Y90 PolarHBondContact O-N 3.33Å; S87-E91 WeakPolarHBondContact O-CB 3.4Å; S87-E91 PolarHBondContact O-N 3.26Å |
| 88 | D | 79.6 | Confident | 76 | Confident | 81 Ų | 81 | 95 Ų | 95 | 43% | 0.433 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.9 | -38.1 | -178.8 | -61.4 | -21.2 | 0 | 0 | 0 | 111.3 | K84 G92 | K84-D88 PolarHBondContact O-N 3.14Å; D88-G92 PolarHBondContact O-N 3.36Å |
| 89 | I | 80.2 | Confident | 77.2 | Confident | 103 Ų | 103 | 94.6 Ų | 94.6 | 53% | 0.528 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67.6 | -43.6 | 176.3 | -68.4 | 164.6 | 0 | 0 | 0 | 111.4 | R85 S87 T93 | R85-I89 HydrophobicContact CG-CD1 4.06Å; R85-I89 WeakPolarHBondContact O-CD1 3.31Å; R85-I89 WeakPolarHBondContact O-CG1 3.23Å; R85-I89 PolarHBondContact O-N 2.72Å; R85-I89 VanDerWaalsContact O-N 3.12Å; S87-I89 VanDerWaalsContact C-N 3.28Å; S87-I89 PolarHBondContact O-N 2.91Å; I89-T93 WeakPolarHBondContact O-CB 3.29Å; I89-T93 WeakPolarHBondContact O-CG2 3.37Å; I89-T93 PolarHBondContact O-N 2.96Å; I89-T93 VanDerWaalsContact O-N 3.1Å; I89-T93 PolarHBondContact O-OG1 2.99Å |
| 90 | Y | 78.4 | Confident | 78.3 | Confident | 168 Ų | 168 | 95 Ų | 95 | 66% | 0.659 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -65.9 | -42.9 | 176.9 | -179.6 | -94.4 | 0 | 0 | 0 | 111.5 | Q86 S87 T93 F94 | Q86-Y90 PolarHBondContact O-N 3.06Å; S87-Y90 PolarHBondContact O-N 3.33Å; Y90-T93 PolarHBondContact O-OG1 3.23Å; Y90-T93 VanDerWaalsContact O-OG1 3.11Å; Y90-F94 VanDerWaalsContact O-CB 3.23Å; Y90-F94 WeakPolarHBondContact O-CB 3.44Å; Y90-F94 PolarHBondContact O-N 2.96Å |
| 91 | E | 81 | Confident | 79.4 | Confident | 90 Ų | 90 | 93 Ų | 93 | 42% | 0.421 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.7 | -44.2 | 178.1 | -170.1 | -175 | -178.8 | 0 | 0 | 111.6 | S87 K95 | S87-E91 WeakPolarHBondContact O-CB 3.4Å; S87-E91 PolarHBondContact O-N 3.26Å; E91-K95 HydrophobicContact CG-CD 4.1Å; E91-K95 HydrophobicContact CG-CG 4.47Å; E91-K95 VanDerWaalsContact O-CB 3.31Å; E91-K95 WeakPolarHBondContact O-CB 3.38Å; E91-K95 VanDerWaalsContact O-CG 3.28Å; E91-K95 WeakPolarHBondContact O-CG 3.14Å; E91-K95 PolarHBondContact O-N 3.18Å; E91-K95 WeakPolarHBondContact OE1-CE 3.03Å; E91-K95 IonicContact OE1-NZ 2.61Å; E91-K95 PolarHBondContact OE1-NZ 3.03Å |
| 92 | G | 85.8 | Confident | 80.3 | Confident | 38 Ų | 38 | 96.7 Ų | 96.7 | 39% | 0.392 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.7 | -49.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | D88 K95 E96 | D88-G92 PolarHBondContact O-N 3.36Å; G92-K95 PolarHBondContact O-N 2.89Å; G92-E96 WeakPolarHBondContact O-CB 3.2Å; G92-E96 PolarHBondContact O-N 3.21Å |
| 93 | T | 85.6 | Confident | 80.8 | Confident | 78 Ų | 78 | 93.4 Ų | 93.4 | 48% | 0.479 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66 | -40.4 | 179.9 | 51.7 | 0 | 0 | 0 | 0 | 112.5 | I89 Y90 E96 A97 | I89-T93 WeakPolarHBondContact O-CB 3.29Å; I89-T93 WeakPolarHBondContact O-CG2 3.37Å; I89-T93 PolarHBondContact O-N 2.96Å; I89-T93 VanDerWaalsContact O-N 3.1Å; I89-T93 PolarHBondContact O-OG1 2.99Å; Y90-T93 PolarHBondContact O-OG1 3.23Å; Y90-T93 VanDerWaalsContact O-OG1 3.11Å; T93-E96 PolarHBondContact O-N 3.31Å; T93-A97 WeakPolarHBondContact O-CB 3.42Å; T93-A97 PolarHBondContact O-N 3.38Å |
| 94 | F | 80.9 | Confident | 81.2 | Confident | 108 Ų | 108 | 93.9 Ų | 93.9 | 47% | 0.474 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.1 | -42.7 | 177.3 | 178.7 | -105.8 | 0 | 0 | 0 | 112 | Y90 E96 A97 L98 | Y90-F94 VanDerWaalsContact O-CB 3.23Å; Y90-F94 WeakPolarHBondContact O-CB 3.44Å; Y90-F94 PolarHBondContact O-N 2.96Å; F94-E96 VanDerWaalsContact C-N 3.34Å; F94-E96 PolarHBondContact O-N 2.93Å; F94-A97 PolarHBondContact O-N 2.99Å; F94-L98 HydrophobicContact CD1-CD1 3.92Å; F94-L98 HydrophobicContact CD1-CG 4.45Å; F94-L98 HydrophobicContact CE1-CD1 3.38Å; F94-L98 HydrophobicContact CE1-CG 4.08Å; F94-L98 HydrophobicContact CE2-CD1 4.48Å; F94-L98 HydrophobicContact CE2-CD2 4.4Å; F94-L98 HydrophobicContact CE2-CG 4.35Å; F94-L98 HydrophobicContact CZ-CD1 3.7Å; F94-L98 HydrophobicContact CZ-CD2 4.11Å; F94-L98 HydrophobicContact CZ-CG 4.02Å; F94-L98 WeakPolarHBondContact O-CG 3.19Å; F94-L98 PolarHBondContact O-N 3.47Å |
| 95 | K | 85.5 | Confident | 81.2 | Confident | 113 Ų | 113 | 93.2 Ų | 93.2 | 49% | 0.491 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.9 | -40.9 | 175 | -77.6 | -178.2 | 180 | 175.6 | 0 | 112.1 | E91 G92 L98 T99 | E91-K95 HydrophobicContact CG-CD 4.1Å; E91-K95 HydrophobicContact CG-CG 4.47Å; E91-K95 VanDerWaalsContact O-CB 3.31Å; E91-K95 WeakPolarHBondContact O-CB 3.38Å; E91-K95 VanDerWaalsContact O-CG 3.28Å; E91-K95 WeakPolarHBondContact O-CG 3.14Å; E91-K95 PolarHBondContact O-N 3.18Å; E91-K95 WeakPolarHBondContact OE1-CE 3.03Å; E91-K95 IonicContact OE1-NZ 2.61Å; E91-K95 PolarHBondContact OE1-NZ 3.03Å; G92-K95 PolarHBondContact O-N 2.89Å; K95-L98 PolarHBondContact O-N 3.49Å; K95-T99 WeakPolarHBondContact O-CG2 3.42Å; K95-T99 PolarHBondContact O-N 2.87Å; K95-T99 VanDerWaalsContact O-N 3.07Å; K95-T99 PolarHBondContact O-OG1 3.14Å |
| 96 | E | 89.2 | Confident | 81 | Confident | 125 Ų | 125 | 96 Ų | 96 | 58% | 0.584 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.1 | -39.9 | 176 | -175.9 | 178.2 | -170 | 0 | 0 | 112.6 | G92 T93 F94 L98 T99 S100 | G92-E96 WeakPolarHBondContact O-CB 3.2Å; G92-E96 PolarHBondContact O-N 3.21Å; T93-E96 PolarHBondContact O-N 3.31Å; F94-E96 VanDerWaalsContact C-N 3.34Å; F94-E96 PolarHBondContact O-N 2.93Å; E96-L98 VanDerWaalsContact C-N 3.34Å; E96-T99 WeakPolarHBondContact CA-OG1 3.04Å; E96-T99 PolarHBondContact O-N 3Å; E96-T99 PolarHBondContact O-OG1 3.04Å; E96-S100 WeakPolarHBondContact O-CB 3.13Å; E96-S100 PolarHBondContact O-N 2.98Å; E96-S100 PolarHBondContact O-OG 3.03Å |
| 97 | A | 90.6 | Very high | 80.3 | Confident | 47 Ų | 47 | 100.1 Ų | 100.1 | 39% | 0.388 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.8 | -41.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | T93 F94 S100 I101 | T93-A97 WeakPolarHBondContact O-CB 3.42Å; T93-A97 PolarHBondContact O-N 3.38Å; F94-A97 PolarHBondContact O-N 2.99Å; A97-S100 WeakPolarHBondContact O-CB 3.31Å; A97-S100 PolarHBondContact O-N 2.87Å; A97-I101 WeakPolarHBondContact O-CD1 3.45Å; A97-I101 VanDerWaalsContact O-CG1 3.26Å; A97-I101 WeakPolarHBondContact O-CG1 3.37Å; A97-I101 PolarHBondContact O-N 2.74Å |
| 98 | L | 83.5 | Confident | 79.6 | Confident | 74 Ų | 74 | 105.6 Ų | 105.6 | 39% | 0.387 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.2 | -43 | 177.8 | -72.5 | 179.1 | 0 | 0 | 0 | 112.7 | F94 K95 E96 S100 I101 Q102 | F94-L98 HydrophobicContact CD1-CD1 3.92Å; F94-L98 HydrophobicContact CD1-CG 4.45Å; F94-L98 HydrophobicContact CE1-CD1 3.38Å; F94-L98 HydrophobicContact CE1-CG 4.08Å; F94-L98 HydrophobicContact CE2-CD1 4.48Å; F94-L98 HydrophobicContact CE2-CD2 4.4Å; F94-L98 HydrophobicContact CE2-CG 4.35Å; F94-L98 HydrophobicContact CZ-CD1 3.7Å; F94-L98 HydrophobicContact CZ-CD2 4.11Å; F94-L98 HydrophobicContact CZ-CG 4.02Å; F94-L98 WeakPolarHBondContact O-CG 3.19Å; F94-L98 PolarHBondContact O-N 3.47Å; K95-L98 PolarHBondContact O-N 3.49Å; E96-L98 VanDerWaalsContact C-N 3.34Å; L98-S100 VanDerWaalsContact C-N 3.32Å; L98-I101 PolarHBondContact O-N 2.69Å; L98-Q102 WeakPolarHBondContact O-CG 3.34Å; L98-Q102 PolarHBondContact O-N 3.18Å |
| 99 | T | 84.6 | Confident | 78.6 | Confident | 82 Ų | 82 | 104.6 Ų | 104.6 | 50% | 0.503 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -68.5 | -34.2 | 177.2 | 53.4 | 0 | 0 | 0 | 0 | 111.5 | K95 E96 Q102 S103 | K95-T99 WeakPolarHBondContact O-CG2 3.42Å; K95-T99 PolarHBondContact O-N 2.87Å; K95-T99 VanDerWaalsContact O-N 3.07Å; K95-T99 PolarHBondContact O-OG1 3.14Å; E96-T99 WeakPolarHBondContact CA-OG1 3.04Å; E96-T99 PolarHBondContact O-N 3Å; E96-T99 PolarHBondContact O-OG1 3.04Å; T99-Q102 PolarHBondContact O-N 2.89Å; T99-S103 WeakPolarHBondContact O-CB 3.12Å; T99-S103 PolarHBondContact O-N 3.33Å; T99-S103 PolarHBondContact O-OG 3.5Å |
| 100 | S | 86.2 | Confident | 77.5 | Confident | 62 Ų | 62 | 107.1 Ų | 107.1 | 43% | 0.434 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.2 | -44.5 | 172.6 | -62.4 | 0 | 0 | 0 | 0 | 111.8 | E96 A97 L98 S103 D104 | E96-S100 WeakPolarHBondContact O-CB 3.13Å; E96-S100 PolarHBondContact O-N 2.98Å; E96-S100 PolarHBondContact O-OG 3.03Å; A97-S100 WeakPolarHBondContact O-CB 3.31Å; A97-S100 PolarHBondContact O-N 2.87Å; L98-S100 VanDerWaalsContact C-N 3.32Å; S100-S103 PolarHBondContact O-N 3.42Å; S100-S103 PolarHBondContact O-OG 3.33Å; S100-D104 WeakPolarHBondContact O-CB 3.42Å; S100-D104 PolarHBondContact O-N 3.2Å |
| 101 | I | 88.4 | Confident | 76.3 | Confident | 93 Ų | 93 | 109.9 Ų | 109.9 | 48% | 0.477 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.3 | -43.2 | 177.4 | -68.7 | 162.9 | 0 | 0 | 0 | 111.4 | A97 L98 Q105 | A97-I101 WeakPolarHBondContact O-CD1 3.45Å; A97-I101 VanDerWaalsContact O-CG1 3.26Å; A97-I101 WeakPolarHBondContact O-CG1 3.37Å; A97-I101 PolarHBondContact O-N 2.74Å; L98-I101 PolarHBondContact O-N 2.69Å; I101-Q105 WeakPolarHBondContact O-CG 3.3Å; I101-Q105 PolarHBondContact O-N 3.06Å |
| 102 | Q | 82.9 | Confident | 75 | Confident | 130 Ų | 130 | 108.8 Ų | 108.8 | 61% | 0.607 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -67.3 | -39.7 | 179.7 | -73.5 | 179.4 | -12.7 | 0 | 0 | 112.4 | L98 T99 Q105 R106 | L98-Q102 WeakPolarHBondContact O-CG 3.34Å; L98-Q102 PolarHBondContact O-N 3.18Å; T99-Q102 PolarHBondContact O-N 2.89Å; Q102-Q105 PolarHBondContact O-N 2.96Å; Q102-R106 WeakPolarHBondContact O-CG 3.15Å; Q102-R106 PolarHBondContact O-N 2.83Å |
| 103 | S | 76.3 | Confident | 73.5 | Confident | 57 Ų | 57 | 114.4 Ų | 114.4 | 40% | 0.399 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -70.3 | -38.9 | 177.6 | 59.6 | 0 | 0 | 0 | 0 | 112.2 | T99 S100 Q105 R106 Y107 | T99-S103 WeakPolarHBondContact O-CB 3.12Å; T99-S103 PolarHBondContact O-N 3.33Å; T99-S103 PolarHBondContact O-OG 3.5Å; S100-S103 PolarHBondContact O-N 3.42Å; S100-S103 PolarHBondContact O-OG 3.33Å; S103-Q105 VanDerWaalsContact C-N 3.28Å; S103-Q105 PolarHBondContact O-N 3.32Å; S103-R106 WeakPolarHBondContact O-CB 3.42Å; S103-R106 PolarHBondContact O-N 3.46Å; S103-R106 VanDerWaalsContact O-N 3.09Å; S103-Y107 VanDerWaalsContact O-CD2 3.25Å; S103-Y107 WeakPolarHBondContact O-CD2 3.24Å; S103-Y107 PolarHBondContact O-N 3.13Å |
| 104 | D | 80.4 | Confident | 72.2 | Confident | 89 Ų | 89 | 116.3 Ų | 116.3 | 48% | 0.476 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -59.4 | -39.2 | 173.8 | -171.3 | 63.6 | 0 | 0 | 0 | 112 | S100 R106 Y107 R108 | S100-D104 WeakPolarHBondContact O-CB 3.42Å; S100-D104 PolarHBondContact O-N 3.2Å; D104-R106 VanDerWaalsContact C-N 3.34Å; D104-R106 PolarHBondContact O-N 3.43Å; D104-Y107 PolarHBondContact O-N 3.26Å; D104-R108 WeakPolarHBondContact O-CB 3.28Å; D104-R108 PolarHBondContact O-N 3.35Å; D104-R108 IonicContact OD2-NH2 3.78Å |
| 105 | Q | 69.8 | Low | 71.2 | Confident | 124 Ų | 124 | 119.3 Ų | 119.3 | 58% | 0.579 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -64.7 | -35.2 | 175.2 | -72.2 | 178.2 | 32.5 | 0 | 0 | 113 | I101 Q102 S103 R108 G109 | I101-Q105 WeakPolarHBondContact O-CG 3.3Å; I101-Q105 PolarHBondContact O-N 3.06Å; Q102-Q105 PolarHBondContact O-N 2.96Å; S103-Q105 VanDerWaalsContact C-N 3.28Å; S103-Q105 PolarHBondContact O-N 3.32Å; Q105-R108 PolarHBondContact O-N 2.92Å; Q105-G109 PolarHBondContact O-N 3.35Å |
| 106 | R | 66.4 | Low | 70 | Confident | 203 Ų | 203 | 125.4 Ų | 125.4 | 77% | 0.766 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -62.8 | -44.2 | 174.5 | -66.5 | -84.7 | -154 | 166.5 | 6.4 | 111.1 | Q102 S103 D104 G109 | Q102-R106 WeakPolarHBondContact O-CG 3.15Å; Q102-R106 PolarHBondContact O-N 2.83Å; S103-R106 WeakPolarHBondContact O-CB 3.42Å; S103-R106 PolarHBondContact O-N 3.46Å; S103-R106 VanDerWaalsContact O-N 3.09Å; D104-R106 VanDerWaalsContact C-N 3.34Å; D104-R106 PolarHBondContact O-N 3.43Å; R106-G109 PolarHBondContact O-N 3.04Å |
| 107 | Y | 57.4 | Low | 68.7 | Low | 171 Ų | 171 | 125.3 Ų | 125.3 | 67% | 0.671 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -70.4 | -31.8 | 177.1 | -75.1 | -73.2 | 0 | 0 | 0 | 113 | S103 D104 | S103-Y107 VanDerWaalsContact O-CD2 3.25Å; S103-Y107 WeakPolarHBondContact O-CD2 3.24Å; S103-Y107 PolarHBondContact O-N 3.13Å; D104-Y107 PolarHBondContact O-N 3.26Å |
| 108 | R | 59.3 | Low | 67.1 | Low | 181 Ų | 181 | 135 Ų | 135 | 68% | 0.683 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -69.3 | -37.3 | 174 | -169.6 | -176.7 | -66.5 | -113 | 0.7 | 112.3 | D104 Q105 E110 R111 | D104-R108 WeakPolarHBondContact O-CB 3.28Å; D104-R108 PolarHBondContact O-N 3.35Å; D104-R108 IonicContact OD2-NH2 3.78Å; Q105-R108 PolarHBondContact O-N 2.92Å; R108-E110 VanDerWaalsContact C-N 3.27Å; R108-E110 PolarHBondContact O-N 3.28Å; R108-R111 PolarHBondContact O-N 2.85Å |
| 109 | G | 59.2 | Low | 66.2 | Low | 60 Ų | 60 | 140.4 Ų | 140.4 | 62% | 0.619 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -64.9 | -25.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q105 R106 | Q105-G109 PolarHBondContact O-N 3.35Å; R106-G109 PolarHBondContact O-N 3.04Å |
| 110 | E | 56.6 | Low | 65.3 | Low | 157 Ų | 157 | 143.4 Ų | 143.4 | 73% | 0.734 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -89.1 | -14.3 | 179.7 | -66.4 | -168 | 166.6 | 0 | 0 | 113.9 | R108 G112 | R108-E110 VanDerWaalsContact C-N 3.27Å; R108-E110 PolarHBondContact O-N 3.28Å; E110-G112 VanDerWaalsContact C-N 3.33Å |
| 111 | R | 51.8 | Low | 64.2 | Low | 226 Ų | 226 | 147.6 Ų | 147.6 | 85% | 0.853 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | 3 | 174 | -70.3 | -168.1 | -179.6 | -168.4 | 2 | 114.5 | R108 | R108-R111 PolarHBondContact O-N 2.85Š|
| 112 | G | 54.2 | Low | 62.9 | Low | 66 Ų | 66 | 150.7 Ų | 150.7 | 68% | 0.68 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | -4.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | E110 | E110-G112 VanDerWaalsContact C-N 3.33Š|
| 113 | N | 54.7 | Low | 61.7 | Low | 157 Ų | 157 | 151.9 Ų | 151.9 | 84% | 0.84 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -116.1 | 15.6 | -169 | -107.2 | -17.1 | 0 | 0 | 0 | 115.9 | ||
| 114 | V | 59.2 | Low | 60.8 | Low | 118 Ų | 118 | 157.8 Ų | 157.8 | 72% | 0.715 | 78% | 0.777 | S | S | * | * | trans | -120.2 | 79.8 | 179.3 | -166.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 115 | M | 59.2 | Low | 59.5 | Low | 171 Ų | 171 | 162.4 Ų | 162.4 | 84% | 0.842 | 80% | 0.797 | S | S | * | * | trans | 171.4 | 100.1 | 142.3 | -107 | 42 | 156.6 | 0 | 0 | 110 | ||||
| 116 | R | 60.6 | Low | 58.7 | Low | 240 Ų | 240 | 165.1 Ų | 165.1 | 91% | 0.906 | 81% | 0.812 | S | S | * | * | trans | -122.4 | 111.5 | 153.5 | -110.8 | -175.8 | 178.8 | -116.9 | 2.5 | 106.7 | R118 | R116-R118 PolarHBondContact O-N 3.28Š| ||
| 117 | P | 62 | Low | 58.2 | Low | 124 Ų | 124 | 162.2 Ų | 162.2 | 81% | 0.805 | 82% | 0.816 | S | S | * | * | trans | -70.9 | 124.9 | 169.6 | 15 | -4.7 | 0 | 0 | 0 | 107.6 | ||||
| 118 | R | 55.7 | Low | 58.2 | Low | 250 Ų | 250 | 161.5 Ų | 161.5 | 94% | 0.943 | 83% | 0.828 | S | S | * | * | trans | -77.8 | 118.9 | 168.3 | -59.7 | -175.7 | 73.2 | 107.1 | 1.3 | 106.5 | R116 | R116-R118 PolarHBondContact O-N 3.28Š| ||
| 119 | S | 66.3 | Low | 58.1 | Low | 188 Ų | 188 | 159.7 Ų | 159.7 | 100% | 1.315 | 84% | 0.841 | S | S | * | * | trans | -118.7 | 0 | 164 | -171.6 | 0 | 0 | 0 | 0 | 109.2 |
Retrieved 119 of 119 residues in 65.5 ms
(Link to these results)