| 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 | 40.5 | Very low | 45.4 | Very low | 237 Ų | 237 | 165.6 Ų | 165.6 | 100% | 1.167 | 85% | 0.851 | S | S | * | * | 0 | 136.8 | 0 | -77.9 | -61.3 | 165.2 | 0 | 0 | 109 | |||||
| 2 | P | 49 | Very low | 44.8 | Very low | 117 Ų | 117 | 161.6 Ų | 161.6 | 76% | 0.76 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 165.3 | -158 | 34.8 | -36.5 | 0 | 0 | 0 | 114.7 | ||
| 3 | K | 41.8 | Very low | 44.3 | Very low | 199 Ų | 199 | 153.7 Ų | 153.7 | 87% | 0.865 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 142.2 | 174.8 | -61.8 | 173.5 | -179.3 | 175.3 | 0 | 110.1 | ||
| 4 | K | 49.2 | Very low | 44.2 | Very low | 200 Ų | 200 | 156.9 Ų | 156.9 | 87% | 0.87 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -99.6 | 125.4 | 167.4 | -75.7 | -175 | 175.2 | -178 | 0 | 109.3 | ||
| 5 | D | 41.4 | Very low | 44.4 | Very low | 159 Ų | 159 | 155.5 Ų | 155.5 | 85% | 0.85 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 141.4 | 173 | -59.2 | -56.8 | 0 | 0 | 0 | 110.9 | ||
| 6 | V | 53 | Low | 44.8 | Very low | 132 Ų | 132 | 156.4 Ų | 156.4 | 80% | 0.8 | 82% | 0.818 | S | S | * | * | trans | -126.8 | 110.2 | 172.8 | 179.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 7 | Q | 42.5 | Very low | 45.2 | Very low | 179 Ų | 179 | 154.1 Ų | 154.1 | 84% | 0.836 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -70 | 129.7 | 174.9 | -69.1 | -85.3 | 8 | 0 | 0 | 110.4 | ||
| 8 | P | 47.7 | Very low | 45.7 | Very low | 114 Ų | 114 | 150.9 Ų | 150.9 | 74% | 0.74 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 130.6 | 171.2 | 31.5 | -30.5 | 0 | 0 | 0 | 111.9 | ||
| 9 | L | 41.3 | Very low | 46.2 | Very low | 159 Ų | 159 | 152.5 Ų | 152.5 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 132.6 | -178 | -178.8 | 65.3 | 0 | 0 | 0 | 113.9 | K11 | L9-K11 PolarHBondContact O-N 3.4Š|
| 10 | V | 43.7 | Very low | 46.6 | Very low | 131 Ų | 131 | 147.6 Ų | 147.6 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 124.1 | 177.7 | -170.8 | 0 | 0 | 0 | 0 | 110.7 | ||
| 11 | K | 49.6 | Very low | 46.9 | Very low | 195 Ų | 195 | 146 Ų | 146 | 85% | 0.848 | 76% | 0.764 | S | S | * | * | trans | -108.6 | 115.3 | 161.4 | -75.7 | -174.9 | 175.2 | -178.2 | 0 | 109 | L9 | L9-K11 PolarHBondContact O-N 3.4Š| ||
| 12 | S | 38.4 | Very low | 47.6 | Very low | 117 Ų | 117 | 136.8 Ų | 136.8 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | trans | -72.4 | 160.1 | 173.6 | 49.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 13 | G | 38.3 | Very low | 47.9 | Very low | 59 Ų | 59 | 135 Ų | 135 | 61% | 0.608 | 71% | 0.709 | S | S | * | * | trans | 118.9 | 27 | 161 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 14 | Y | 42.6 | Very low | 48.4 | Very low | 199 Ų | 199 | 131.6 Ų | 131.6 | 78% | 0.78 | 70% | 0.697 | S | S | * | * | trans | -145.1 | 26.2 | 170.3 | -73.3 | -67 | 0 | 0 | 0 | 114.9 | ||||
| 15 | N | 47.1 | Very low | 48.6 | Very low | 136 Ų | 136 | 125 Ų | 125 | 73% | 0.727 | 68% | 0.681 | S | S | * | * | trans | -109.2 | 5 | -168.4 | -77.9 | -23.9 | 0 | 0 | 0 | 116.4 | ||||
| 16 | E | 51.4 | Low | 49 | Very low | 170 Ų | 170 | 121.8 Ų | 121.8 | 79% | 0.794 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -91 | -40.9 | 176.3 | -77.6 | 167.7 | 147.4 | 0 | 0 | 112.2 | V18 R19 A20 | E16-V18 VanDerWaalsContact C-N 3.31Å; E16-V18 PolarHBondContact O-N 3.31Å; E16-R19 PolarHBondContact O-N 3.12Å; E16-R19 VanDerWaalsContact O-N 3.07Å; E16-A20 PolarHBondContact O-N 3.2Å |
| 17 | D | 51.7 | Low | 48.8 | Very low | 117 Ų | 117 | 121.2 Ų | 121.2 | 63% | 0.626 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -63.7 | -35.1 | 176.5 | -60 | -37.3 | 0 | 0 | 0 | 112.9 | R19 N21 | D17-R19 VanDerWaalsContact C-N 3.33Å; D17-N21 WeakPolarHBondContact O-CB 3.39Å; D17-N21 PolarHBondContact O-N 3.35Å; D17-N21 PolarHBondContact O-ND2 3.47Å |
| 18 | V | 53.8 | Low | 49.1 | Very low | 96 Ų | 96 | 121 Ų | 121 | 58% | 0.582 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -69.2 | -34.7 | 175.7 | -174.9 | 0 | 0 | 0 | 0 | 110.6 | E16 A22 | E16-V18 VanDerWaalsContact C-N 3.31Å; E16-V18 PolarHBondContact O-N 3.31Å; V18-A22 VanDerWaalsContact O-CB 3.24Å; V18-A22 WeakPolarHBondContact O-CB 3.35Å; V18-A22 PolarHBondContact O-N 3.01Å |
| 19 | R | 54.4 | Low | 49.1 | Very low | 182 Ų | 182 | 122.8 Ų | 122.8 | 69% | 0.687 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -74.9 | -40 | 178 | -163.3 | 176.6 | -174.3 | 178.6 | 1.2 | 111.7 | E16 D17 A22 I23 | E16-R19 PolarHBondContact O-N 3.12Å; E16-R19 VanDerWaalsContact O-N 3.07Å; D17-R19 VanDerWaalsContact C-N 3.33Å; R19-A22 PolarHBondContact O-N 3.34Å; R19-I23 HydrophobicContact CG-CD1 4.09Å; R19-I23 VanDerWaalsContact O-CG1 3.28Å; R19-I23 WeakPolarHBondContact O-CG1 3.45Å; R19-I23 PolarHBondContact O-N 3.43Å |
| 20 | A | 54.3 | Low | 49.4 | Very low | 53 Ų | 53 | 120.6 Ų | 120.6 | 44% | 0.438 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -61.1 | -46.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | E16 A22 I23 M24 | E16-A20 PolarHBondContact O-N 3.2Å; A20-A22 VanDerWaalsContact C-N 3.32Å; A20-A22 PolarHBondContact O-N 3.21Å; A20-I23 PolarHBondContact O-N 2.92Å; A20-M24 WeakPolarHBondContact O-CG 3.43Å; A20-M24 PolarHBondContact O-N 3.31Å |
| 21 | N | 53.3 | Low | 49.4 | Very low | 114 Ų | 114 | 125.7 Ų | 125.7 | 61% | 0.61 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -64.5 | -34.7 | 174.4 | -77.4 | -67.3 | 0 | 0 | 0 | 112.7 | D17 A25 | D17-N21 WeakPolarHBondContact O-CB 3.39Å; D17-N21 PolarHBondContact O-N 3.35Å; D17-N21 PolarHBondContact O-ND2 3.47Å; N21-A25 WeakPolarHBondContact O-CB 3.29Å; N21-A25 PolarHBondContact O-N 3.01Å |
| 22 | A | 54.5 | Low | 49 | Very low | 44 Ų | 44 | 121 Ų | 121 | 36% | 0.364 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -72.9 | -28.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | V18 R19 A20 N26 | V18-A22 VanDerWaalsContact O-CB 3.24Å; V18-A22 WeakPolarHBondContact O-CB 3.35Å; V18-A22 PolarHBondContact O-N 3.01Å; R19-A22 PolarHBondContact O-N 3.34Å; A20-A22 VanDerWaalsContact C-N 3.32Å; A20-A22 PolarHBondContact O-N 3.21Å; A22-N26 WeakPolarHBondContact O-CB 3.47Å; A22-N26 PolarHBondContact O-N 3.41Å; A22-N26 PolarHBondContact O-ND2 3.41Å |
| 23 | I | 55.4 | Low | 49.1 | Very low | 81 Ų | 81 | 124.3 Ų | 124.3 | 42% | 0.415 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -73.3 | -50 | 174.6 | -70.7 | 163.9 | 0 | 0 | 0 | 109.5 | R19 A20 A25 N26 E27 | R19-I23 HydrophobicContact CG-CD1 4.09Å; R19-I23 VanDerWaalsContact O-CG1 3.28Å; R19-I23 WeakPolarHBondContact O-CG1 3.45Å; R19-I23 PolarHBondContact O-N 3.43Å; A20-I23 PolarHBondContact O-N 2.92Å; I23-A25 VanDerWaalsContact C-N 3.28Å; I23-A25 PolarHBondContact O-N 2.84Å; I23-N26 PolarHBondContact O-N 3.45Å; I23-E27 HydrophobicContact CG2-CG 4.42Å; I23-E27 PolarHBondContact O-N 3.27Å |
| 24 | M | 53.8 | Low | 49.3 | Very low | 126 Ų | 126 | 130.7 Ų | 130.7 | 62% | 0.621 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -57.8 | -38.9 | 175.1 | -64.4 | -63.2 | -66.9 | 0 | 0 | 112.4 | A20 N26 E28 | A20-M24 WeakPolarHBondContact O-CG 3.43Å; A20-M24 PolarHBondContact O-N 3.31Å; M24-N26 VanDerWaalsContact C-N 3.27Å; M24-N26 PolarHBondContact O-N 3.12Å; M24-E28 PolarHBondContact O-N 2.93Å |
| 25 | A | 52.5 | Low | 49.2 | Very low | 63 Ų | 63 | 126.5 Ų | 126.5 | 52% | 0.521 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -73.8 | -11.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | N21 I23 | N21-A25 WeakPolarHBondContact O-CB 3.29Å; N21-A25 PolarHBondContact O-N 3.01Å; I23-A25 VanDerWaalsContact C-N 3.28Å; I23-A25 PolarHBondContact O-N 2.84Å |
| 26 | N | 49.1 | Very low | 48.9 | Very low | 90 Ų | 90 | 128.2 Ų | 128.2 | 48% | 0.481 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -103.5 | -23.6 | 174.4 | -76.6 | -46.8 | 0 | 0 | 0 | 112.6 | A22 I23 M24 K29 | A22-N26 WeakPolarHBondContact O-CB 3.47Å; A22-N26 PolarHBondContact O-N 3.41Å; A22-N26 PolarHBondContact O-ND2 3.41Å; I23-N26 PolarHBondContact O-N 3.45Å; M24-N26 VanDerWaalsContact C-N 3.27Å; M24-N26 PolarHBondContact O-N 3.12Å; N26-K29 WeakPolarHBondContact O-CB 3.17Å; N26-K29 PolarHBondContact O-N 2.91Å; N26-K29 VanDerWaalsContact O-N 3.14Å |
| 27 | E | 49.4 | Very low | 48.8 | Very low | 120 Ų | 120 | 127.1 Ų | 127.1 | 56% | 0.561 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -76.4 | -27.4 | 174.6 | -72.2 | 178.9 | 175.5 | 0 | 0 | 113.1 | I23 K29 T30 | I23-E27 HydrophobicContact CG2-CG 4.42Å; I23-E27 PolarHBondContact O-N 3.27Å; E27-K29 PolarHBondContact O-N 3.31Å; E27-T30 PolarHBondContact O-OG1 3.19Å |
| 28 | E | 49.8 | Very low | 48.6 | Very low | 175 Ų | 175 | 126 Ų | 126 | 82% | 0.818 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -11.1 | 164.9 | -75.2 | -166.8 | 143.8 | 0 | 0 | 113.1 | M24 | M24-E28 PolarHBondContact O-N 2.93Š|
| 29 | K | 46.3 | Very low | 48 | Very low | 152 Ų | 152 | 131.1 Ų | 131.1 | 66% | 0.661 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | -10.7 | -172.6 | -155.8 | 176.8 | 176.2 | -173.3 | 0 | 114.2 | N26 E27 | N26-K29 WeakPolarHBondContact O-CB 3.17Å; N26-K29 PolarHBondContact O-N 2.91Å; N26-K29 VanDerWaalsContact O-N 3.14Å; E27-K29 PolarHBondContact O-N 3.31Å |
| 30 | T | 47.5 | Very low | 47.7 | Very low | 113 Ų | 113 | 127.9 Ų | 127.9 | 69% | 0.693 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -109.4 | 8.1 | -174.7 | 51.1 | 0 | 0 | 0 | 0 | 114.2 | E27 | E27-T30 PolarHBondContact O-OG1 3.19Š|
| 31 | R | 45.1 | Very low | 47 | Very low | 238 Ų | 238 | 137.3 Ų | 137.3 | 90% | 0.898 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -115 | 14.3 | 179.2 | -147.3 | -176.9 | -176.8 | -170.1 | 1.6 | 115.1 | ||
| 32 | S | 41.2 | Very low | 46.9 | Very low | 97 Ų | 97 | 135.5 Ų | 135.5 | 68% | 0.678 | 69% | 0.69 | S | S | * | * | trans | -121.9 | 33 | 177.6 | 71.9 | 0 | 0 | 0 | 0 | 113.1 | F34 | S32-F34 PolarHBondContact O-N 3.11Š| ||
| 33 | E | 39.3 | Very low | 46.3 | Very low | 186 Ų | 186 | 141.4 Ų | 141.4 | 87% | 0.869 | 70% | 0.703 | S | S | * | * | trans | -80.8 | 57.6 | 177.7 | -162.3 | 163.5 | -128.2 | 0 | 0 | 111.2 | ||||
| 34 | F | 42.7 | Very low | 46.5 | Very low | 192 Ų | 192 | 148.5 Ų | 148.5 | 84% | 0.842 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -159 | 123.2 | 166.1 | -129.4 | -90.7 | 0 | 0 | 0 | 110.2 | S32 | S32-F34 PolarHBondContact O-N 3.11Š|
| 35 | S | 40.4 | Very low | 46.2 | Very low | 111 Ų | 111 | 151.9 Ų | 151.9 | 78% | 0.776 | 73% | 0.73 | S | S | * | * | trans | 83 | 101.3 | 179.2 | -36 | 0 | 0 | 0 | 0 | 116.9 | E37 | S35-E37 PolarHBondContact O-N 3.06Š| ||
| 36 | D | 41.6 | Very low | 46.9 | Very low | 173 Ų | 173 | 154.6 Ų | 154.6 | 93% | 0.925 | 74% | 0.74 | S | S | * | * | trans | -61.8 | 116 | 159.5 | -70.3 | -68.4 | 0 | 0 | 0 | 111.3 | ||||
| 37 | E | 48.6 | Very low | 47.8 | Very low | 146 Ų | 146 | 152.5 Ų | 152.5 | 68% | 0.682 | 73% | 0.731 | S | S | * | * | trans | -131 | 139.9 | 160.2 | -107.1 | -145.4 | 143.3 | 0 | 0 | 112.2 | S35 | S35-E37 PolarHBondContact O-N 3.06Š| ||
| 38 | P | 47.1 | Very low | 48.8 | Very low | 93 Ų | 93 | 150.7 Ų | 150.7 | 60% | 0.604 | 73% | 0.73 | S | S | * | * | trans | -78.8 | 159.6 | -168 | 31.2 | -35.7 | 0 | 0 | 0 | 114.1 | Y40 | P38-Y40 HydrophobicContact CG-CD2 4.43Å; P38-Y40 HydrophobicContact CG-CE2 4.14Å; P38-Y40 WeakPolarHBondContact O-CD2 3.28Å; P38-Y40 PolarHBondContact O-N 3.35Å | ||
| 39 | K | 42.8 | Very low | 49.5 | Very low | 204 Ų | 204 | 148.7 Ų | 148.7 | 89% | 0.887 | 73% | 0.725 | S | S | * | * | trans | -68.1 | 88 | -172.3 | -66 | 158.2 | -178.5 | 164.1 | 0 | 113.9 | R41 | K39-R41 VanDerWaalsContact C-N 3.29Å; K39-R41 PolarHBondContact O-N 3.31Å | ||
| 40 | Y | 46.8 | Very low | 50.5 | Low | 114 Ų | 114 | 149 Ų | 149 | 45% | 0.447 | 73% | 0.733 | S | S | . | * | trans | -76.7 | 58.7 | 175.5 | -92.1 | -112.4 | 0 | 0 | 0 | 114.7 | P38 G42 R43 | P38-Y40 HydrophobicContact CG-CD2 4.43Å; P38-Y40 HydrophobicContact CG-CE2 4.14Å; P38-Y40 WeakPolarHBondContact O-CD2 3.28Å; P38-Y40 PolarHBondContact O-N 3.35Å; Y40-G42 PolarHBondContact O-N 2.87Å; Y40-G42 VanDerWaalsContact O-N 3.15Å; Y40-R43 HydrophobicContact CD1-CB 4.27Å; Y40-R43 PolarHBondContact OH-NH2 2.92Å | ||
| 41 | R | 40.7 | Very low | 51.5 | Low | 251 Ų | 251 | 145.3 Ų | 145.3 | 95% | 0.947 | 72% | 0.718 | S | S | * | * | trans | -76.8 | 98.3 | 168.7 | -70.3 | -169.1 | -177.8 | -168.2 | 2 | 110.9 | K39 | K39-R41 VanDerWaalsContact C-N 3.29Å; K39-R41 PolarHBondContact O-N 3.31Å | ||
| 42 | G | 50.4 | Low | 53.1 | Low | 77 Ų | 77 | 136.7 Ų | 136.7 | 79% | 0.794 | 69% | 0.687 | S | S | * | * | S | Bend | trans | 123.8 | -4.5 | 159.7 | 0 | 0 | 0 | 0 | 0 | 118 | Y40 | Y40-G42 PolarHBondContact O-N 2.87Å; Y40-G42 VanDerWaalsContact O-N 3.15Å |
| 43 | R | 41.5 | Very low | 55.3 | Low | 168 Ų | 168 | 136.1 Ų | 136.1 | 63% | 0.634 | 68% | 0.676 | S | S | * | * | trans | -85.2 | 120.2 | 166.4 | -70.7 | -160.5 | -85.8 | -104.5 | 12.7 | 109.3 | Y40 W45 | Y40-R43 HydrophobicContact CD1-CB 4.27Å; Y40-R43 PolarHBondContact OH-NH2 2.92Å; R43-W45 PolarHBondContact O-N 3.44Å; R43-W45 VanDerWaalsContact O-N 3.1Å | ||
| 44 | R | 59.7 | Low | 57.6 | Low | 230 Ų | 230 | 132.9 Ų | 132.9 | 87% | 0.868 | 66% | 0.661 | S | S | * | * | trans | -61.1 | 112.1 | 167.4 | 174.4 | -175.5 | -70.9 | -134.6 | -1.7 | 106.7 | T46 | R44-T46 PolarHBondContact O-N 3.17Š| ||
| 45 | W | 48.3 | Very low | 59.6 | Low | 197 Ų | 197 | 129 Ų | 129 | 75% | 0.746 | 65% | 0.645 | S | S | * | * | trans | -56.3 | 110.8 | 173 | -70.2 | 78.3 | 0 | 0 | 0 | 108.6 | R43 T47 | R43-W45 PolarHBondContact O-N 3.44Å; R43-W45 VanDerWaalsContact O-N 3.1Å; W45-T47 PolarHBondContact O-N 2.91Å | ||
| 46 | T | 65.8 | Low | 61.8 | Low | 120 Ų | 120 | 126.6 Ų | 126.6 | 74% | 0.736 | 62% | 0.62 | S | S | * | * | trans | -74.8 | 114.8 | 166.3 | 41.5 | 0 | 0 | 0 | 0 | 106.5 | R44 P48 | R44-T46 PolarHBondContact O-N 3.17Å; T46-P48 VanDerWaalsContact O-CD 3.27Å; T46-P48 WeakPolarHBondContact O-CD 3.29Å; T46-P48 VanDerWaalsContact O-N 3.08Å | ||
| 47 | T | 69.3 | Low | 64 | Low | 45 Ų | 45 | 123.9 Ų | 123.9 | 28% | 0.276 | 60% | 0.597 | S | S | . | * | trans | -49.8 | 117.4 | 169.2 | -53.1 | 0 | 0 | 0 | 0 | 108.3 | W45 G51 K52 Y56 | W45-T47 PolarHBondContact O-N 2.91Å; T47-G51 WeakPolarHBondContact CG2-O 3.45Å; T47-K52 HydrophobicContact CG2-CG 3.83Å; T47-K52 VanDerWaalsContact O-CE 3.28Å; T47-K52 WeakPolarHBondContact O-CE 3.34Å; T47-Y56 HydrophobicContact CG2-CD2 4.15Å; T47-Y56 HydrophobicContact CG2-CE2 4.24Å; T47-Y56 WeakPolarHBondContact OG1-CE2 3.35Å | ||
| 48 | P | 69.7 | Low | 65.9 | Low | 83 Ų | 83 | 119 Ų | 119 | 54% | 0.539 | 57% | 0.574 | S | S | . | * | trans | -56.4 | 150.8 | 176.5 | -24.8 | 35.7 | 0 | 0 | 0 | 110.2 | T46 N50 G51 | T46-P48 VanDerWaalsContact O-CD 3.27Å; T46-P48 WeakPolarHBondContact O-CD 3.29Å; T46-P48 VanDerWaalsContact O-N 3.08Å; P48-N50 WeakPolarHBondContact CB-OD1 3.39Å; P48-N50 PolarHBondContact O-N 3.14Å; P48-G51 PolarHBondContact O-N 2.79Å | ||
| 49 | D | 65.1 | Low | 67.8 | Low | 133 Ų | 133 | 120.3 Ų | 120.3 | 71% | 0.711 | 57% | 0.57 | S | S | * | * | G | 310 helix | trans | -61.2 | -29.4 | -173.5 | -77.5 | -52.3 | 0 | 0 | 0 | 113.3 | G51 K52 | D49-G51 PolarHBondContact O-N 3.33Å; D49-K52 VanDerWaalsContact OD1-CE 3.3Å; D49-K52 WeakPolarHBondContact OD1-CE 3.34Å; D49-K52 IonicContact OD1-NZ 3.65Å; D49-K52 PolarHBondContact OD1-NZ 3.45Å |
| 50 | N | 67.7 | Low | 70.1 | Confident | 157 Ų | 157 | 115.3 Ų | 115.3 | 84% | 0.84 | 55% | 0.546 | S | S | * | . | G | 310 helix | trans | -72.5 | -9.1 | 173.6 | 68.1 | -1.8 | 0 | 0 | 0 | 114.7 | P48 | P48-N50 WeakPolarHBondContact CB-OD1 3.39Å; P48-N50 PolarHBondContact O-N 3.14Å |
| 51 | G | 68.1 | Low | 72.2 | Confident | 37 Ų | 37 | 116.3 Ų | 116.3 | 38% | 0.381 | 55% | 0.549 | S | S | . | . | G | 310 helix | trans | -112.4 | 12.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | T47 P48 D49 D53 | T47-G51 WeakPolarHBondContact CG2-O 3.45Å; P48-G51 PolarHBondContact O-N 2.79Å; D49-G51 PolarHBondContact O-N 3.33Å; G51-D53 PolarHBondContact O-N 2.95Å |
| 52 | K | 78.5 | Confident | 74.6 | Confident | 57 Ų | 57 | 111.4 Ų | 111.4 | 25% | 0.248 | 53% | 0.53 | C | S | . | . | trans | -89.8 | 77.1 | 178.3 | -65.9 | 179.4 | -176.8 | 168.6 | 0 | 110.8 | T47 D49 Y56 W57 | T47-K52 HydrophobicContact CG2-CG 3.83Å; T47-K52 VanDerWaalsContact O-CE 3.28Å; T47-K52 WeakPolarHBondContact O-CE 3.34Å; D49-K52 VanDerWaalsContact OD1-CE 3.3Å; D49-K52 WeakPolarHBondContact OD1-CE 3.34Å; D49-K52 IonicContact OD1-NZ 3.65Å; D49-K52 PolarHBondContact OD1-NZ 3.45Å; K52-Y56 HydrophobicContact CB-CD1 3.91Å; K52-Y56 HydrophobicContact CB-CE1 4.33Å; K52-Y56 HydrophobicContact CD-CD1 4.38Å; K52-Y56 HydrophobicContact CD-CE1 3.95Å; K52-Y56 HydrophobicContact CG-CD1 3.85Å; K52-Y56 HydrophobicContact CG-CE1 3.82Å; K52-Y56 HydrophobicContact CG-CG 4.46Å; K52-W57 HydrophobicContact CB-CZ2 4.08Å; K52-W57 HydrophobicContact CD-CH2 4.11Å; K52-W57 HydrophobicContact CD-CZ2 3.66Å; K52-W57 HydrophobicContact CG-CZ2 4.46Å; K52-W57 PolarHBondContact O-NE1 3.32Å | ||
| 53 | D | 87.6 | Confident | 76.6 | Confident | 84 Ų | 84 | 112.5 Ų | 112.5 | 45% | 0.449 | 52% | 0.518 | S | S | . | . | trans | -65 | 164.3 | 173 | 64.8 | -17.5 | 0 | 0 | 0 | 112.9 | G51 H55 Y56 W57 | G51-D53 PolarHBondContact O-N 2.95Å; D53-H55 PolarHBondContact O-N 3.2Å; D53-H55 IonicContact OD2-ND1 2.69Å; D53-Y56 WeakPolarHBondContact O-CB 3.4Å; D53-Y56 PolarHBondContact O-N 2.9Å; D53-Y56 WeakPolarHBondContact OD1-CA 3.31Å; D53-Y56 WeakPolarHBondContact OD1-CB 3.24Å; D53-Y56 PolarHBondContact OD1-N 3.42Å; D53-W57 VanDerWaalsContact O-CD1 3.25Å; D53-W57 PolarHBondContact O-N 2.84Å; D53-W57 VanDerWaalsContact O-N 3.09Å | ||
| 54 | E | 87 | Confident | 79 | Confident | 118 Ų | 118 | 108.4 Ų | 108.4 | 55% | 0.551 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -58.4 | -32.4 | 176.5 | -178.9 | 56 | -150.8 | 0 | 0 | 111.4 | W57 E58 R61 | E54-W57 PolarHBondContact O-N 3.38Å; E54-E58 WeakPolarHBondContact O-CB 3.19Å; E54-E58 PolarHBondContact O-N 3.45Å; E54-R61 IonicContact OE1-CZ 3.99Å; E54-R61 IonicContact OE1-NH1 3.48Å; E54-R61 IonicContact OE1-NH2 2.73Å; E54-R61 PolarHBondContact OE1-NH2 3.44Å |
| 55 | H | 84.8 | Confident | 80.4 | Confident | 110 Ų | 110 | 102 Ų | 102 | 51% | 0.509 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68.5 | -34.1 | 175.9 | 162.5 | -116.1 | 0 | 0 | 0 | 113.1 | D53 K59 | D53-H55 PolarHBondContact O-N 3.2Å; D53-H55 IonicContact OD2-ND1 2.69Å; H55-K59 PolarHBondContact CE1-NZ 3.11Å; H55-K59 VanDerWaalsContact CE1-NZ 3.29Å; H55-K59 PolarHBondContact NE2-NZ 2.85Å; H55-K59 WeakPolarHBondContact O-CB 3.25Å; H55-K59 PolarHBondContact O-N 3.17Å |
| 56 | Y | 86.6 | Confident | 82.3 | Confident | 61 Ų | 61 | 95 Ų | 95 | 24% | 0.239 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -61.6 | -47.5 | 166.2 | 171.5 | -90 | 0 | 0 | 0 | 111.1 | T47 K52 D53 K59 R60 | T47-Y56 HydrophobicContact CG2-CD2 4.15Å; T47-Y56 HydrophobicContact CG2-CE2 4.24Å; T47-Y56 WeakPolarHBondContact OG1-CE2 3.35Å; K52-Y56 HydrophobicContact CB-CD1 3.91Å; K52-Y56 HydrophobicContact CB-CE1 4.33Å; K52-Y56 HydrophobicContact CD-CD1 4.38Å; K52-Y56 HydrophobicContact CD-CE1 3.95Å; K52-Y56 HydrophobicContact CG-CD1 3.85Å; K52-Y56 HydrophobicContact CG-CE1 3.82Å; K52-Y56 HydrophobicContact CG-CG 4.46Å; D53-Y56 WeakPolarHBondContact O-CB 3.4Å; D53-Y56 PolarHBondContact O-N 2.9Å; D53-Y56 WeakPolarHBondContact OD1-CA 3.31Å; D53-Y56 WeakPolarHBondContact OD1-CB 3.24Å; D53-Y56 PolarHBondContact OD1-N 3.42Å; Y56-K59 PolarHBondContact O-N 2.88Å; Y56-R60 VanDerWaalsContact O-CB 3.3Å; Y56-R60 WeakPolarHBondContact O-CB 3.45Å; Y56-R60 PolarHBondContact O-N 3.33Å |
| 57 | W | 87.1 | Confident | 83.5 | Confident | 116 Ų | 116 | 91 Ų | 91 | 44% | 0.439 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.1 | -43.8 | -179.4 | -72 | 117 | 0 | 0 | 0 | 112.4 | K52 D53 E54 R60 R61 | K52-W57 HydrophobicContact CB-CZ2 4.08Å; K52-W57 HydrophobicContact CD-CH2 4.11Å; K52-W57 HydrophobicContact CD-CZ2 3.66Å; K52-W57 HydrophobicContact CG-CZ2 4.46Å; K52-W57 PolarHBondContact O-NE1 3.32Å; D53-W57 VanDerWaalsContact O-CD1 3.25Å; D53-W57 PolarHBondContact O-N 2.84Å; D53-W57 VanDerWaalsContact O-N 3.09Å; E54-W57 PolarHBondContact O-N 3.38Å; W57-R60 CarbonylContact O-C 3.57Å; W57-R60 WeakPolarHBondContact O-CB 3.22Å; W57-R60 PolarHBondContact O-N 2.88Å; W57-R61 VanDerWaalsContact O-CB 3.31Å; W57-R61 WeakPolarHBondContact O-CB 3.38Å; W57-R61 PolarHBondContact O-N 3.39Å |
| 58 | E | 90.1 | Very high | 84.6 | Confident | 45 Ų | 45 | 96.2 Ų | 96.2 | 21% | 0.21 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -66.3 | -38.9 | 176.3 | 177.5 | 58.4 | -172.5 | 0 | 0 | 112 | E54 R60 R61 R62 | E54-E58 WeakPolarHBondContact O-CB 3.19Å; E54-E58 PolarHBondContact O-N 3.45Å; E58-R60 VanDerWaalsContact C-N 3.33Å; E58-R60 PolarHBondContact O-N 2.74Å; E58-R61 WeakPolarHBondContact O-CB 3.42Å; E58-R61 PolarHBondContact O-N 3.24Å; E58-R61 WeakPolarHBondContact OE2-CD 3.3Å; E58-R61 IonicContact OE2-CZ 3.76Å; E58-R61 IonicContact OE2-NE 2.71Å; E58-R61 IonicContact OE2-NH1 3.38Å; E58-R61 PolarHBondContact OE2-NH1 2.61Å; E58-R62 WeakPolarHBondContact O-CB 3.45Å; E58-R62 WeakPolarHBondContact O-CG 3.32Å; E58-R62 PolarHBondContact O-N 2.86Å; E58-R62 IonicContact OE1-CZ 3.42Å; E58-R62 IonicContact OE1-NE 2.67Å; E58-R62 PolarHBondContact OE1-NE 3.2Å; E58-R62 IonicContact OE1-NH2 3.34Å; E58-R62 PolarHBondContact OE1-NH2 3.43Å |
| 59 | K | 85.6 | Confident | 85.3 | Confident | 120 Ų | 120 | 98.5 Ų | 98.5 | 52% | 0.522 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.2 | -38.7 | 171.7 | -172.9 | 179.6 | -64.4 | 166.5 | 0 | 111.8 | H55 Y56 N63 | H55-K59 PolarHBondContact CE1-NZ 3.11Å; H55-K59 VanDerWaalsContact CE1-NZ 3.29Å; H55-K59 PolarHBondContact NE2-NZ 2.85Å; H55-K59 WeakPolarHBondContact O-CB 3.25Å; H55-K59 PolarHBondContact O-N 3.17Å; Y56-K59 PolarHBondContact O-N 2.88Å; K59-N63 WeakPolarHBondContact O-CB 3.34Å; K59-N63 PolarHBondContact O-N 2.97Å |
| 60 | R | 91.1 | Very high | 86.5 | Confident | 98 Ų | 98 | 94.8 Ų | 94.8 | 37% | 0.37 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -67 | -40.4 | 175.5 | -171.9 | 75.4 | -166.4 | 80.9 | 9.7 | 111.4 | Y56 W57 E58 N63 N64 | Y56-R60 VanDerWaalsContact O-CB 3.3Å; Y56-R60 WeakPolarHBondContact O-CB 3.45Å; Y56-R60 PolarHBondContact O-N 3.33Å; W57-R60 CarbonylContact O-C 3.57Å; W57-R60 WeakPolarHBondContact O-CB 3.22Å; W57-R60 PolarHBondContact O-N 2.88Å; E58-R60 VanDerWaalsContact C-N 3.33Å; E58-R60 PolarHBondContact O-N 2.74Å; R60-N63 PolarHBondContact O-N 2.96Å; R60-N64 VanDerWaalsContact CZ-OD1 3.32Å; R60-N64 PolarHBondContact NH1-OD1 3.38Å; R60-N64 PolarHBondContact NH2-OD1 3.02Å; R60-N64 VanDerWaalsContact NH2-OD1 3.13Å; R60-N64 PolarHBondContact O-N 2.9Å |
| 61 | R | 91.4 | Very high | 87.5 | Confident | 136 Ų | 136 | 96 Ų | 96 | 51% | 0.513 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60.7 | -56.3 | 175.4 | -160.1 | -178.1 | -61.8 | 147.3 | -2.4 | 110.2 | E54 W57 E58 N63 N64 E65 | E54-R61 IonicContact OE1-CZ 3.99Å; E54-R61 IonicContact OE1-NH1 3.48Å; E54-R61 IonicContact OE1-NH2 2.73Å; E54-R61 PolarHBondContact OE1-NH2 3.44Å; W57-R61 VanDerWaalsContact O-CB 3.31Å; W57-R61 WeakPolarHBondContact O-CB 3.38Å; W57-R61 PolarHBondContact O-N 3.39Å; E58-R61 WeakPolarHBondContact O-CB 3.42Å; E58-R61 PolarHBondContact O-N 3.24Å; E58-R61 WeakPolarHBondContact OE2-CD 3.3Å; E58-R61 IonicContact OE2-CZ 3.76Å; E58-R61 IonicContact OE2-NE 2.71Å; E58-R61 IonicContact OE2-NH1 3.38Å; E58-R61 PolarHBondContact OE2-NH1 2.61Å; R61-N63 VanDerWaalsContact C-N 3.33Å; R61-N63 PolarHBondContact O-N 3.07Å; R61-N64 PolarHBondContact O-N 2.93Å; R61-E65 WeakPolarHBondContact O-CB 3.45Å; R61-E65 PolarHBondContact O-N 2.88Å |
| 62 | R | 90.2 | Very high | 88.6 | Confident | 148 Ų | 148 | 97.8 Ų | 97.8 | 56% | 0.558 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -57.9 | -39.2 | 175.1 | -68.9 | 175.2 | -169.1 | 157.1 | 5.3 | 113.1 | E58 E65 A66 | E58-R62 WeakPolarHBondContact O-CB 3.45Å; E58-R62 WeakPolarHBondContact O-CG 3.32Å; E58-R62 PolarHBondContact O-N 2.86Å; E58-R62 IonicContact OE1-CZ 3.42Å; E58-R62 IonicContact OE1-NE 2.67Å; E58-R62 PolarHBondContact OE1-NE 3.2Å; E58-R62 IonicContact OE1-NH2 3.34Å; E58-R62 PolarHBondContact OE1-NH2 3.43Å; R62-E65 PolarHBondContact O-N 3.35Å; R62-A66 VanDerWaalsContact O-CB 3.25Å; R62-A66 WeakPolarHBondContact O-CB 3.41Å; R62-A66 PolarHBondContact O-N 2.93Å |
| 63 | N | 93.4 | Very high | 89.2 | Confident | 99 Ų | 99 | 103.7 Ų | 103.7 | 53% | 0.529 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -69.4 | -39.7 | 177.4 | -176.9 | -106.1 | 0 | 0 | 0 | 112.9 | K59 R60 R61 E65 A67 | K59-N63 WeakPolarHBondContact O-CB 3.34Å; K59-N63 PolarHBondContact O-N 2.97Å; R60-N63 PolarHBondContact O-N 2.96Å; R61-N63 VanDerWaalsContact C-N 3.33Å; R61-N63 PolarHBondContact O-N 3.07Å; N63-E65 VanDerWaalsContact C-N 3.35Å; N63-A67 VanDerWaalsContact O-CB 3.25Å; N63-A67 WeakPolarHBondContact O-CB 3.41Å; N63-A67 PolarHBondContact O-N 3.16Å |
| 64 | N | 91.9 | Very high | 89.2 | Confident | 82 Ų | 82 | 105 Ų | 105 | 44% | 0.439 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.2 | -43.4 | 172.1 | -83.2 | -21.4 | 0 | 0 | 0 | 111.4 | R60 R61 A67 K68 | R60-N64 VanDerWaalsContact CZ-OD1 3.32Å; R60-N64 PolarHBondContact NH1-OD1 3.38Å; R60-N64 PolarHBondContact NH2-OD1 3.02Å; R60-N64 VanDerWaalsContact NH2-OD1 3.13Å; R60-N64 PolarHBondContact O-N 2.9Å; R61-N64 PolarHBondContact O-N 2.93Å; N64-A67 PolarHBondContact O-N 2.94Å; N64-K68 PolarHBondContact O-N 3.43Å |
| 65 | E | 88.8 | Confident | 89.4 | Confident | 95 Ų | 95 | 107 Ų | 107 | 44% | 0.444 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.6 | -45 | 179.1 | -162.8 | -158.1 | -161.2 | 0 | 0 | 111.7 | R61 R62 N63 A67 K68 R69 | R61-E65 WeakPolarHBondContact O-CB 3.45Å; R61-E65 PolarHBondContact O-N 2.88Å; R62-E65 PolarHBondContact O-N 3.35Å; N63-E65 VanDerWaalsContact C-N 3.35Å; E65-A67 VanDerWaalsContact C-N 3.32Å; E65-A67 PolarHBondContact O-N 3.38Å; E65-K68 PolarHBondContact O-N 2.87Å; E65-R69 VanDerWaalsContact CD-CZ 3.42Å; E65-R69 PolarHBondContact O-N 3.08Å; E65-R69 IonicContact OE1-CZ 3.03Å; E65-R69 IonicContact OE1-NH1 3.09Å; E65-R69 PolarHBondContact OE1-NH1 2.92Å; E65-R69 IonicContact OE1-NH2 2.71Å; E65-R69 PolarHBondContact OE1-NH2 2.94Å; E65-R69 IonicContact OE2-CZ 2.66Å; E65-R69 IonicContact OE2-NH1 3.62Å; E65-R69 PolarHBondContact OE2-NH1 3.41Å; E65-R69 IonicContact OE2-NH2 3.54Å; E65-R69 PolarHBondContact OE2-NH2 3.01Å |
| 66 | A | 88.2 | Confident | 89.4 | Confident | 50 Ų | 50 | 106.5 Ų | 106.5 | 41% | 0.413 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.1 | -37.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | R62 S70 | R62-A66 VanDerWaalsContact O-CB 3.25Å; R62-A66 WeakPolarHBondContact O-CB 3.41Å; R62-A66 PolarHBondContact O-N 2.93Å; A66-S70 VanDerWaalsContact O-CB 3.24Å; A66-S70 WeakPolarHBondContact O-CB 3.49Å; A66-S70 PolarHBondContact O-N 3.31Å |
| 67 | A | 92.2 | Very high | 89.6 | Confident | 37 Ų | 37 | 108 Ų | 108 | 31% | 0.306 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67.3 | -38.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | N63 N64 E65 S70 R71 | N63-A67 VanDerWaalsContact O-CB 3.25Å; N63-A67 WeakPolarHBondContact O-CB 3.41Å; N63-A67 PolarHBondContact O-N 3.16Å; N64-A67 PolarHBondContact O-N 2.94Å; E65-A67 VanDerWaalsContact C-N 3.32Å; E65-A67 PolarHBondContact O-N 3.38Å; A67-S70 PolarHBondContact O-N 3.4Å; A67-R71 WeakPolarHBondContact O-CG 3.46Å; A67-R71 PolarHBondContact O-N 2.96Å |
| 68 | K | 91.5 | Very high | 89.7 | Confident | 154 Ų | 154 | 104.4 Ų | 104.4 | 67% | 0.67 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -62.3 | -52.4 | 172.3 | -169.2 | 178.9 | 179.8 | -176.9 | 0 | 110.2 | N64 E65 S70 R71 E72 | N64-K68 PolarHBondContact O-N 3.43Å; E65-K68 PolarHBondContact O-N 2.87Å; K68-S70 VanDerWaalsContact C-N 3.29Å; K68-S70 PolarHBondContact O-N 3.16Å; K68-R71 WeakPolarHBondContact O-CB 3.31Å; K68-R71 PolarHBondContact O-N 2.96Å; K68-R71 VanDerWaalsContact O-N 3.08Å; K68-E72 PolarHBondContact O-N 3.29Å |
| 69 | R | 84.8 | Confident | 89.4 | Confident | 131 Ų | 131 | 106.5 Ų | 106.5 | 49% | 0.494 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -57.1 | -37.7 | 175.1 | -69.3 | -169.1 | -174.3 | 96.7 | 2.5 | 113.2 | E65 E72 R73 | E65-R69 VanDerWaalsContact CD-CZ 3.42Å; E65-R69 PolarHBondContact O-N 3.08Å; E65-R69 IonicContact OE1-CZ 3.03Å; E65-R69 IonicContact OE1-NH1 3.09Å; E65-R69 PolarHBondContact OE1-NH1 2.92Å; E65-R69 IonicContact OE1-NH2 2.71Å; E65-R69 PolarHBondContact OE1-NH2 2.94Å; E65-R69 IonicContact OE2-CZ 2.66Å; E65-R69 IonicContact OE2-NH1 3.62Å; E65-R69 PolarHBondContact OE2-NH1 3.41Å; E65-R69 IonicContact OE2-NH2 3.54Å; E65-R69 PolarHBondContact OE2-NH2 3.01Å; R69-E72 PolarHBondContact O-N 2.91Å; R69-R73 VanDerWaalsContact O-CB 3.3Å; R69-R73 WeakPolarHBondContact O-CB 3.5Å; R69-R73 PolarHBondContact O-N 3.49Å |
| 70 | S | 90.1 | Very high | 89.4 | Confident | 56 Ų | 56 | 103.5 Ų | 103.5 | 39% | 0.392 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -73.6 | -26.5 | 177.6 | -177.3 | 0 | 0 | 0 | 0 | 113.6 | A66 A67 K68 R74 | A66-S70 VanDerWaalsContact O-CB 3.24Å; A66-S70 WeakPolarHBondContact O-CB 3.49Å; A66-S70 PolarHBondContact O-N 3.31Å; A67-S70 PolarHBondContact O-N 3.4Å; K68-S70 VanDerWaalsContact C-N 3.29Å; K68-S70 PolarHBondContact O-N 3.16Å; S70-R74 PolarHBondContact O-NH1 3.43Å |
| 71 | R | 88.4 | Confident | 89.1 | Confident | 183 Ų | 183 | 101.3 Ų | 101.3 | 69% | 0.691 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -73 | -48.6 | 168.9 | -73.7 | 171.6 | -179.8 | -174.3 | -0.7 | 110.1 | A67 K68 R74 R75 | A67-R71 WeakPolarHBondContact O-CG 3.46Å; A67-R71 PolarHBondContact O-N 2.96Å; K68-R71 WeakPolarHBondContact O-CB 3.31Å; K68-R71 PolarHBondContact O-N 2.96Å; K68-R71 VanDerWaalsContact O-N 3.08Å; R71-R74 WeakPolarHBondContact O-CB 3.41Å; R71-R74 PolarHBondContact O-N 2.86Å; R71-R74 VanDerWaalsContact O-N 3.11Å; R71-R75 PolarHBondContact O-N 3.2Å |
| 72 | E | 90.8 | Very high | 88.8 | Confident | 74 Ų | 74 | 100 Ų | 100 | 35% | 0.346 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.7 | -46.5 | -177.6 | -152.6 | 56.7 | -121.6 | 0 | 0 | 112.5 | K68 R69 R74 R75 L76 | K68-E72 PolarHBondContact O-N 3.29Å; R69-E72 PolarHBondContact O-N 2.91Å; E72-R74 PolarHBondContact O-N 2.88Å; E72-R74 VanDerWaalsContact O-N 3.15Å; E72-R75 WeakPolarHBondContact O-CB 3.38Å; E72-R75 PolarHBondContact O-N 3.45Å; E72-R75 VanDerWaalsContact O-N 3.08Å; E72-R75 WeakPolarHBondContact OE1-CD 3.06Å; E72-R75 IonicContact OE1-NH1 3.1Å; E72-L76 HydrophobicContact CG-CD1 4.37Å; E72-L76 WeakPolarHBondContact O-CG 3.22Å; E72-L76 PolarHBondContact O-N 3.07Å |
| 73 | R | 91.1 | Very high | 88.6 | Confident | 180 Ų | 180 | 95.5 Ų | 95.5 | 68% | 0.679 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -57.8 | -32.1 | 174.8 | -176.4 | 175.5 | -64 | 128.7 | 2.1 | 112.9 | R69 N77 | R69-R73 VanDerWaalsContact O-CB 3.3Å; R69-R73 WeakPolarHBondContact O-CB 3.5Å; R69-R73 PolarHBondContact O-N 3.49Å; R73-N77 VanDerWaalsContact O-CB 3.23Å; R73-N77 WeakPolarHBondContact O-CB 3.4Å; R73-N77 PolarHBondContact O-N 3.38Å; R73-N77 VanDerWaalsContact O-N 3.1Å |
| 74 | R | 89.2 | Confident | 88.4 | Confident | 113 Ų | 113 | 94.6 Ų | 94.6 | 43% | 0.426 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -73.7 | -46.1 | 175.4 | -173.4 | -177.1 | -57.4 | 83.7 | 12.5 | 110.9 | S70 R71 E72 L76 N77 D78 | S70-R74 PolarHBondContact O-NH1 3.43Å; R71-R74 WeakPolarHBondContact O-CB 3.41Å; R71-R74 PolarHBondContact O-N 2.86Å; R71-R74 VanDerWaalsContact O-N 3.11Å; E72-R74 PolarHBondContact O-N 2.88Å; E72-R74 VanDerWaalsContact O-N 3.15Å; R74-L76 PolarHBondContact O-N 3.31Å; R74-N77 PolarHBondContact O-N 3.49Å; R74-N77 VanDerWaalsContact O-N 3.15Å; R74-D78 WeakPolarHBondContact CG-OD2 3.48Å; R74-D78 PolarHBondContact O-N 2.91Å |
| 75 | R | 89.9 | Confident | 88.2 | Confident | 158 Ų | 158 | 95.1 Ų | 95.1 | 60% | 0.596 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -55.6 | -51 | 175.7 | -171.7 | -173.6 | -177 | -170.4 | -1.3 | 111.3 | R71 E72 N77 D78 M79 | R71-R75 PolarHBondContact O-N 3.2Å; E72-R75 WeakPolarHBondContact O-CB 3.38Å; E72-R75 PolarHBondContact O-N 3.45Å; E72-R75 VanDerWaalsContact O-N 3.08Å; E72-R75 WeakPolarHBondContact OE1-CD 3.06Å; E72-R75 IonicContact OE1-NH1 3.1Å; R75-N77 VanDerWaalsContact C-N 3.31Å; R75-N77 PolarHBondContact O-N 2.81Å; R75-D78 PolarHBondContact O-N 3.13Å; R75-M79 HydrophobicContact CG-SD 4.11Å; R75-M79 WeakPolarHBondContact O-CB 3.3Å; R75-M79 WeakPolarHBondContact O-CG 3.42Å; R75-M79 PolarHBondContact O-N 3.07Å |
| 76 | L | 85.9 | Confident | 88.1 | Confident | 101 Ų | 101 | 94 Ų | 94 | 53% | 0.529 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -61.6 | -36.6 | 176.7 | -67.2 | 173.2 | 0 | 0 | 0 | 112.7 | E72 R74 A80 | E72-L76 HydrophobicContact CG-CD1 4.37Å; E72-L76 WeakPolarHBondContact O-CG 3.22Å; E72-L76 PolarHBondContact O-N 3.07Å; R74-L76 PolarHBondContact O-N 3.31Å; L76-A80 VanDerWaalsContact O-CB 3.25Å; L76-A80 WeakPolarHBondContact O-CB 3.5Å; L76-A80 PolarHBondContact O-N 3.25Å |
| 77 | N | 89.7 | Confident | 88.2 | Confident | 92 Ų | 92 | 96.1 Ų | 96.1 | 49% | 0.492 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -71.1 | -43.1 | 176.5 | 178.8 | -127.4 | 0 | 0 | 0 | 112.4 | R73 R74 R75 A80 T81 | R73-N77 VanDerWaalsContact O-CB 3.23Å; R73-N77 WeakPolarHBondContact O-CB 3.4Å; R73-N77 PolarHBondContact O-N 3.38Å; R73-N77 VanDerWaalsContact O-N 3.1Å; R74-N77 PolarHBondContact O-N 3.49Å; R74-N77 VanDerWaalsContact O-N 3.15Å; R75-N77 VanDerWaalsContact C-N 3.31Å; R75-N77 PolarHBondContact O-N 2.81Å; N77-A80 PolarHBondContact O-N 2.94Å; N77-T81 WeakPolarHBondContact O-CG2 3.26Å; N77-T81 PolarHBondContact O-N 3.5Å; N77-T81 PolarHBondContact O-OG1 3.34Å |
| 78 | D | 88.9 | Confident | 88.2 | Confident | 40 Ų | 40 | 97.7 Ų | 97.7 | 21% | 0.214 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -62.8 | -46.6 | 175.7 | -72.4 | -47.7 | 0 | 0 | 0 | 110.1 | R74 R75 A80 T81 E82 R375 | R74-D78 WeakPolarHBondContact CG-OD2 3.48Å; R74-D78 PolarHBondContact O-N 2.91Å; R75-D78 PolarHBondContact O-N 3.13Å; D78-A80 PolarHBondContact O-N 2.72Å; D78-T81 WeakPolarHBondContact CA-OG1 3.41Å; D78-T81 PolarHBondContact O-N 3.16Å; D78-T81 VanDerWaalsContact O-N 3.11Å; D78-T81 PolarHBondContact O-OG1 2.73Å; D78-E82 WeakPolarHBondContact O-CG 3.34Å; D78-E82 PolarHBondContact O-N 3.23Å; D78-R375 IonicContact OD1-CZ 3.02Å; D78-R375 IonicContact OD1-NH1 2.69Å; D78-R375 PolarHBondContact OD1-NH1 2.86Å; D78-R375 IonicContact OD1-NH2 2.73Å; D78-R375 PolarHBondContact OD1-NH2 2.88Å |
| 79 | M | 84 | Confident | 88.2 | Confident | 89 Ų | 89 | 93.1 Ų | 93.1 | 44% | 0.438 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -57.5 | -44 | 172.9 | -72.6 | 175.6 | 68.6 | 0 | 0 | 113.1 | R75 T81 E82 A83 | R75-M79 HydrophobicContact CG-SD 4.11Å; R75-M79 WeakPolarHBondContact O-CB 3.3Å; R75-M79 WeakPolarHBondContact O-CG 3.42Å; R75-M79 PolarHBondContact O-N 3.07Å; M79-T81 VanDerWaalsContact C-N 3.31Å; M79-T81 PolarHBondContact O-N 3.3Å; M79-E82 PolarHBondContact O-N 3.16Å; M79-A83 WeakPolarHBondContact O-CB 3.41Å; M79-A83 PolarHBondContact O-N 2.91Å |
| 80 | A | 85.8 | Confident | 88.5 | Confident | 58 Ų | 58 | 92.9 Ų | 92.9 | 48% | 0.479 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -65.9 | -33.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | L76 N77 D78 K84 | L76-A80 VanDerWaalsContact O-CB 3.25Å; L76-A80 WeakPolarHBondContact O-CB 3.5Å; L76-A80 PolarHBondContact O-N 3.25Å; N77-A80 PolarHBondContact O-N 2.94Å; D78-A80 PolarHBondContact O-N 2.72Å; A80-K84 PolarHBondContact O-N 3.02Å; A80-K84 VanDerWaalsContact O-N 3.12Å |
| 81 | T | 85 | Confident | 88.7 | Confident | 52 Ų | 52 | 94 Ų | 94 | 32% | 0.319 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -72 | -33.1 | 172.4 | 57.3 | 0 | 0 | 0 | 0 | 112.9 | N77 D78 M79 L85 | N77-T81 WeakPolarHBondContact O-CG2 3.26Å; N77-T81 PolarHBondContact O-N 3.5Å; N77-T81 PolarHBondContact O-OG1 3.34Å; D78-T81 WeakPolarHBondContact CA-OG1 3.41Å; D78-T81 PolarHBondContact O-N 3.16Å; D78-T81 VanDerWaalsContact O-N 3.11Å; D78-T81 PolarHBondContact O-OG1 2.73Å; M79-T81 VanDerWaalsContact C-N 3.31Å; M79-T81 PolarHBondContact O-N 3.3Å; T81-L85 WeakPolarHBondContact O-CB 3.46Å; T81-L85 WeakPolarHBondContact O-CD1 3.35Å; T81-L85 WeakPolarHBondContact O-CG 3.14Å; T81-L85 PolarHBondContact O-N 2.75Å; T81-L85 VanDerWaalsContact O-N 3.09Å |
| 82 | E | 86.2 | Confident | 88.9 | Confident | 107 Ų | 107 | 88.1 Ų | 88.1 | 50% | 0.5 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -67.5 | -47.4 | 173.9 | -73.5 | 163.1 | -175 | 0 | 0 | 110.5 | D78 M79 K84 L85 L86 | D78-E82 WeakPolarHBondContact O-CG 3.34Å; D78-E82 PolarHBondContact O-N 3.23Å; M79-E82 PolarHBondContact O-N 3.16Å; E82-K84 PolarHBondContact O-N 3.31Å; E82-L85 WeakPolarHBondContact O-CB 3.42Å; E82-L85 PolarHBondContact O-N 3.36Å; E82-L85 VanDerWaalsContact O-N 3.08Å; E82-L86 WeakPolarHBondContact O-CG 3.47Å; E82-L86 PolarHBondContact O-N 3.21Å |
| 83 | A | 85.7 | Confident | 89 | Confident | 55 Ų | 55 | 87.7 Ų | 87.7 | 46% | 0.455 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -56.8 | -47.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | M79 L85 L86 E87 | M79-A83 WeakPolarHBondContact O-CB 3.41Å; M79-A83 PolarHBondContact O-N 2.91Å; A83-L85 VanDerWaalsContact C-N 3.28Å; A83-L85 PolarHBondContact O-N 3.41Å; A83-L86 WeakPolarHBondContact O-CB 3.48Å; A83-L86 PolarHBondContact O-N 3.46Å; A83-E87 PolarHBondContact O-N 2.89Å |
| 84 | K | 89 | Confident | 89.2 | Confident | 80 Ų | 80 | 84.2 Ų | 84.2 | 35% | 0.348 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -69.2 | -25.5 | 177.2 | -170.9 | 53.1 | 179.7 | 164.8 | 0 | 112.9 | A80 E82 E87 L88 E91 | A80-K84 PolarHBondContact O-N 3.02Å; A80-K84 VanDerWaalsContact O-N 3.12Å; E82-K84 PolarHBondContact O-N 3.31Å; K84-E87 HydrophobicContact CD-CB 4.29Å; K84-E87 HydrophobicContact CD-CG 4.46Å; K84-E87 WeakPolarHBondContact CD-OE2 3.44Å; K84-E87 IonicContact NZ-OE1 3.19Å; K84-E87 PolarHBondContact NZ-OE1 2.99Å; K84-E87 IonicContact NZ-OE2 3.53Å; K84-E87 PolarHBondContact NZ-OE2 2.94Å; K84-L88 HydrophobicContact CD-CD1 4.31Å; K84-L88 HydrophobicContact CD-CG 4.02Å; K84-L88 HydrophobicContact CG-CD1 4Å; K84-L88 HydrophobicContact CG-CG 4.24Å; K84-L88 VanDerWaalsContact O-CB 3.27Å; K84-L88 WeakPolarHBondContact O-CB 3.28Å; K84-L88 WeakPolarHBondContact O-CD1 3.32Å; K84-L88 WeakPolarHBondContact O-CG 3.47Å; K84-L88 PolarHBondContact O-N 3.45Å; K84-E91 IonicContact NZ-OE1 2.68Å; K84-E91 PolarHBondContact NZ-OE1 3.49Å |
| 85 | L | 86.8 | Confident | 89.4 | Confident | 93 Ų | 93 | 83 Ų | 83 | 49% | 0.487 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -70.5 | -36.1 | 171.8 | -77.5 | 167.8 | 0 | 0 | 0 | 112 | T81 E82 A83 S89 | T81-L85 WeakPolarHBondContact O-CB 3.46Å; T81-L85 WeakPolarHBondContact O-CD1 3.35Å; T81-L85 WeakPolarHBondContact O-CG 3.14Å; T81-L85 PolarHBondContact O-N 2.75Å; T81-L85 VanDerWaalsContact O-N 3.09Å; E82-L85 WeakPolarHBondContact O-CB 3.42Å; E82-L85 PolarHBondContact O-N 3.36Å; E82-L85 VanDerWaalsContact O-N 3.08Å; A83-L85 VanDerWaalsContact C-N 3.28Å; A83-L85 PolarHBondContact O-N 3.41Å; L85-S89 VanDerWaalsContact O-CB 3.32Å; L85-S89 WeakPolarHBondContact O-CB 3.32Å; L85-S89 PolarHBondContact O-N 3.01Å; L85-S89 PolarHBondContact O-OG 3.22Å |
| 86 | L | 88 | Confident | 89.5 | Confident | 72 Ų | 72 | 81.6 Ų | 81.6 | 38% | 0.377 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -65.7 | -54.9 | 173.8 | -66.3 | 174 | 0 | 0 | 0 | 111 | E82 A83 L88 S89 E90 F231 | E82-L86 WeakPolarHBondContact O-CG 3.47Å; E82-L86 PolarHBondContact O-N 3.21Å; A83-L86 WeakPolarHBondContact O-CB 3.48Å; A83-L86 PolarHBondContact O-N 3.46Å; L86-L88 PolarHBondContact O-N 3.24Å; L86-S89 CarbonylContact O-C 3.55Å; L86-S89 WeakPolarHBondContact O-CA 3.35Å; L86-S89 WeakPolarHBondContact O-CB 3.26Å; L86-S89 PolarHBondContact O-N 3.37Å; L86-S89 PolarHBondContact O-OG 2.98Å; L86-E90 PolarHBondContact O-N 3.41Å; L86-F231 HydrophobicContact CD2-CD2 4.31Å; L86-F231 HydrophobicContact CD2-CE1 4.37Å; L86-F231 HydrophobicContact CD2-CE2 3.32Å; L86-F231 HydrophobicContact CD2-CZ 3.36Å |
| 87 | E | 89.7 | Confident | 89.8 | Confident | 94 Ų | 94 | 80.7 Ų | 80.7 | 44% | 0.439 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -52.4 | -50 | 177.2 | -171.9 | -166.3 | 157.5 | 0 | 0 | 111.5 | A83 K84 S89 E90 E91 | A83-E87 PolarHBondContact O-N 2.89Å; K84-E87 HydrophobicContact CD-CB 4.29Å; K84-E87 HydrophobicContact CD-CG 4.46Å; K84-E87 WeakPolarHBondContact CD-OE2 3.44Å; K84-E87 IonicContact NZ-OE1 3.19Å; K84-E87 PolarHBondContact NZ-OE1 2.99Å; K84-E87 IonicContact NZ-OE2 3.53Å; K84-E87 PolarHBondContact NZ-OE2 2.94Å; E87-S89 VanDerWaalsContact C-N 3.26Å; E87-S89 PolarHBondContact O-N 3.15Å; E87-E90 PolarHBondContact O-N 2.98Å; E87-E91 WeakPolarHBondContact O-CG 3.27Å; E87-E91 PolarHBondContact O-N 2.82Å |
| 88 | L | 90.9 | Very high | 89.9 | Confident | 70 Ų | 70 | 81.1 Ų | 81.1 | 37% | 0.366 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64.8 | -26.4 | 175.8 | -72.4 | 172.3 | 0 | 0 | 0 | 113.4 | K84 L86 N92 | K84-L88 HydrophobicContact CD-CD1 4.31Å; K84-L88 HydrophobicContact CD-CG 4.02Å; K84-L88 HydrophobicContact CG-CD1 4Å; K84-L88 HydrophobicContact CG-CG 4.24Å; K84-L88 VanDerWaalsContact O-CB 3.27Å; K84-L88 WeakPolarHBondContact O-CB 3.28Å; K84-L88 WeakPolarHBondContact O-CD1 3.32Å; K84-L88 WeakPolarHBondContact O-CG 3.47Å; K84-L88 PolarHBondContact O-N 3.45Å; L86-L88 PolarHBondContact O-N 3.24Å; L88-N92 WeakPolarHBondContact O-CB 3.21Å; L88-N92 PolarHBondContact O-N 3.23Å; L88-N92 VanDerWaalsContact O-N 3.08Å |
| 89 | S | 91.6 | Very high | 89.9 | Confident | 58 Ų | 58 | 82.3 Ų | 82.3 | 41% | 0.406 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -77.4 | -34.3 | 176.2 | 76.3 | 0 | 0 | 0 | 0 | 112.4 | L85 L86 E87 C93 | L85-S89 VanDerWaalsContact O-CB 3.32Å; L85-S89 WeakPolarHBondContact O-CB 3.32Å; L85-S89 PolarHBondContact O-N 3.01Å; L85-S89 PolarHBondContact O-OG 3.22Å; L86-S89 CarbonylContact O-C 3.55Å; L86-S89 WeakPolarHBondContact O-CA 3.35Å; L86-S89 WeakPolarHBondContact O-CB 3.26Å; L86-S89 PolarHBondContact O-N 3.37Å; L86-S89 PolarHBondContact O-OG 2.98Å; E87-S89 VanDerWaalsContact C-N 3.26Å; E87-S89 PolarHBondContact O-N 3.15Å; S89-C93 WeakPolarHBondContact O-CB 3.49Å; S89-C93 PolarHBondContact O-N 2.64Å |
| 90 | E | 92.7 | Very high | 90.1 | Very high | 126 Ų | 126 | 82.5 Ų | 82.5 | 59% | 0.589 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -68.9 | -50.5 | 172.7 | -69.2 | 173.1 | -171.7 | 0 | 0 | 110.7 | L86 E87 N92 C93 L94 | L86-E90 PolarHBondContact O-N 3.41Å; E87-E90 PolarHBondContact O-N 2.98Å; E90-N92 VanDerWaalsContact C-N 3.27Å; E90-N92 PolarHBondContact O-N 3.31Å; E90-C93 WeakPolarHBondContact O-CA 3.38Å; E90-C93 WeakPolarHBondContact O-CB 3.43Å; E90-C93 PolarHBondContact O-N 3.11Å; E90-L94 WeakPolarHBondContact O-CG 3.09Å; E90-L94 PolarHBondContact O-N 3.28Å |
| 91 | E | 94.4 | Very high | 90.2 | Very high | 78 Ų | 78 | 82.9 Ų | 82.9 | 36% | 0.364 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -51.3 | -46.6 | 171.2 | -72 | 173.5 | -141.6 | 0 | 0 | 111 | K84 E87 C93 L94 L95 | K84-E91 IonicContact NZ-OE1 2.68Å; K84-E91 PolarHBondContact NZ-OE1 3.49Å; E87-E91 WeakPolarHBondContact O-CG 3.27Å; E87-E91 PolarHBondContact O-N 2.82Å; E91-C93 VanDerWaalsContact C-N 3.31Å; E91-C93 PolarHBondContact O-N 3.07Å; E91-L94 PolarHBondContact O-N 2.87Å; E91-L95 WeakPolarHBondContact O-CB 3.27Å; E91-L95 VanDerWaalsContact O-CG 3.29Å; E91-L95 WeakPolarHBondContact O-CG 3.38Å; E91-L95 PolarHBondContact O-N 3.29Å |
| 92 | N | 92.6 | Very high | 90.1 | Very high | 60 Ų | 60 | 86 Ų | 86 | 32% | 0.321 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -68.1 | -29.4 | 179.9 | -162 | -96.2 | 0 | 0 | 0 | 113.1 | L88 E90 K96 | L88-N92 WeakPolarHBondContact O-CB 3.21Å; L88-N92 PolarHBondContact O-N 3.23Å; L88-N92 VanDerWaalsContact O-N 3.08Å; E90-N92 VanDerWaalsContact C-N 3.27Å; E90-N92 PolarHBondContact O-N 3.31Å; N92-K96 WeakPolarHBondContact O-CB 3.32Å; N92-K96 WeakPolarHBondContact O-CD 3.29Å; N92-K96 VanDerWaalsContact O-CG 3.22Å; N92-K96 WeakPolarHBondContact O-CG 3.38Å; N92-K96 PolarHBondContact O-N 3.08Å; N92-K96 VanDerWaalsContact O-N 3.16Å; N92-K96 WeakPolarHBondContact OD1-CE 3.37Å; N92-K96 PolarHBondContact OD1-NZ 2.92Å |
| 93 | C | 93.1 | Very high | 90 | Very high | 66 Ų | 66 | 87.9 Ų | 87.9 | 45% | 0.446 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -70.7 | -47.5 | 173.5 | -169.6 | 0 | 0 | 0 | 0 | 111 | S89 E90 E91 K96 N97 | S89-C93 WeakPolarHBondContact O-CB 3.49Å; S89-C93 PolarHBondContact O-N 2.64Å; E90-C93 WeakPolarHBondContact O-CA 3.38Å; E90-C93 WeakPolarHBondContact O-CB 3.43Å; E90-C93 PolarHBondContact O-N 3.11Å; E91-C93 VanDerWaalsContact C-N 3.31Å; E91-C93 PolarHBondContact O-N 3.07Å; C93-K96 WeakPolarHBondContact O-CB 3.42Å; C93-K96 PolarHBondContact O-N 2.91Å; C93-N97 VanDerWaalsContact O-CG 3.24Å; C93-N97 PolarHBondContact O-N 3.18Å; C93-N97 PolarHBondContact O-ND2 3.26Å |
| 94 | L | 94.8 | Very high | 89.8 | Confident | 107 Ų | 107 | 92.3 Ų | 92.3 | 56% | 0.56 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -58.7 | -50.2 | 176.2 | -66.9 | 174.3 | 0 | 0 | 0 | 111.4 | E90 E91 K96 N97 E98 | E90-L94 WeakPolarHBondContact O-CG 3.09Å; E90-L94 PolarHBondContact O-N 3.28Å; E91-L94 PolarHBondContact O-N 2.87Å; L94-K96 VanDerWaalsContact C-N 3.29Å; L94-K96 PolarHBondContact O-N 3.23Å; L94-N97 WeakPolarHBondContact O-CB 3.15Å; L94-N97 PolarHBondContact O-N 3.26Å; L94-N97 VanDerWaalsContact O-N 3.08Å; L94-E98 WeakPolarHBondContact O-CG 3.49Å; L94-E98 PolarHBondContact O-N 3.37Å |
| 95 | L | 93.6 | Very high | 89.5 | Confident | 87 Ų | 87 | 94 Ų | 94 | 46% | 0.455 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.6 | -34.2 | 177.6 | -69.8 | 170.6 | 0 | 0 | 0 | 113 | E91 L99 | E91-L95 WeakPolarHBondContact O-CB 3.27Å; E91-L95 VanDerWaalsContact O-CG 3.29Å; E91-L95 WeakPolarHBondContact O-CG 3.38Å; E91-L95 PolarHBondContact O-N 3.29Å; L95-L99 WeakPolarHBondContact O-CB 3.35Å; L95-L99 VanDerWaalsContact O-CG 3.26Å; L95-L99 WeakPolarHBondContact O-CG 3.46Å; L95-L99 PolarHBondContact O-N 3.06Å |
| 96 | K | 92.2 | Very high | 88.7 | Confident | 128 Ų | 128 | 93.8 Ų | 93.8 | 56% | 0.557 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -66.8 | -43.1 | 172.8 | -82.3 | 167.1 | 176.2 | 155.2 | 0 | 111.8 | N92 C93 L94 L99 E100 | N92-K96 WeakPolarHBondContact O-CB 3.32Å; N92-K96 WeakPolarHBondContact O-CD 3.29Å; N92-K96 VanDerWaalsContact O-CG 3.22Å; N92-K96 WeakPolarHBondContact O-CG 3.38Å; N92-K96 PolarHBondContact O-N 3.08Å; N92-K96 VanDerWaalsContact O-N 3.16Å; N92-K96 WeakPolarHBondContact OD1-CE 3.37Å; N92-K96 PolarHBondContact OD1-NZ 2.92Å; C93-K96 WeakPolarHBondContact O-CB 3.42Å; C93-K96 PolarHBondContact O-N 2.91Å; L94-K96 VanDerWaalsContact C-N 3.29Å; L94-K96 PolarHBondContact O-N 3.23Å; K96-L99 PolarHBondContact O-N 2.94Å; K96-E100 WeakPolarHBondContact O-CB 3.49Å; K96-E100 PolarHBondContact O-N 3.25Å |
| 97 | N | 91.1 | Very high | 87.4 | Confident | 83 Ų | 83 | 96.1 Ų | 96.1 | 44% | 0.444 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.2 | -44.2 | 177.3 | -66.1 | -22.6 | 0 | 0 | 0 | 110.9 | C93 L94 E100 T101 | C93-N97 VanDerWaalsContact O-CG 3.24Å; C93-N97 PolarHBondContact O-N 3.18Å; C93-N97 PolarHBondContact O-ND2 3.26Å; L94-N97 WeakPolarHBondContact O-CB 3.15Å; L94-N97 PolarHBondContact O-N 3.26Å; L94-N97 VanDerWaalsContact O-N 3.08Å; N97-E100 CarbonylContact O-C 3.59Å; N97-E100 PolarHBondContact O-N 2.98Å; N97-E100 VanDerWaalsContact O-N 3.16Å; N97-T101 WeakPolarHBondContact O-CG2 3.44Å; N97-T101 PolarHBondContact O-N 2.86Å |
| 98 | E | 91.6 | Very high | 86 | Confident | 100 Ų | 100 | 100.9 Ų | 100.9 | 47% | 0.467 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.6 | -47.3 | 173.6 | -72.6 | 175.1 | -168.7 | 0 | 0 | 112 | L94 E100 T101 F102 | L94-E98 WeakPolarHBondContact O-CG 3.49Å; L94-E98 PolarHBondContact O-N 3.37Å; E98-E100 PolarHBondContact O-N 3.49Å; E98-T101 PolarHBondContact O-N 3.08Å; E98-T101 PolarHBondContact O-OG1 3.31Å; E98-F102 HydrophobicContact CB-CE2 4.31Å; E98-F102 WeakPolarHBondContact O-CD2 3.39Å; E98-F102 PolarHBondContact O-N 3.46Å |
| 99 | L | 89 | Confident | 84.2 | Confident | 65 Ų | 65 | 101.3 Ų | 101.3 | 34% | 0.34 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.7 | -34.8 | 174.4 | -75.2 | 171.6 | 0 | 0 | 0 | 112.3 | L95 K96 R103 | L95-L99 WeakPolarHBondContact O-CB 3.35Å; L95-L99 VanDerWaalsContact O-CG 3.26Å; L95-L99 WeakPolarHBondContact O-CG 3.46Å; L95-L99 PolarHBondContact O-N 3.06Å; K96-L99 PolarHBondContact O-N 2.94Å; L99-R103 WeakPolarHBondContact O-CB 3.49Å; L99-R103 VanDerWaalsContact O-CG 3.22Å; L99-R103 WeakPolarHBondContact O-CG 3.29Å; L99-R103 PolarHBondContact O-N 2.76Å |
| 100 | E | 88.3 | Confident | 82.4 | Confident | 93 Ų | 93 | 105.2 Ų | 105.2 | 44% | 0.435 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -71.9 | -37.5 | 175.5 | -161.8 | -177 | 141.8 | 0 | 0 | 112.5 | K96 N97 E98 R103 K104 | K96-E100 WeakPolarHBondContact O-CB 3.49Å; K96-E100 PolarHBondContact O-N 3.25Å; N97-E100 CarbonylContact O-C 3.59Å; N97-E100 PolarHBondContact O-N 2.98Å; N97-E100 VanDerWaalsContact O-N 3.16Å; E98-E100 PolarHBondContact O-N 3.49Å; E100-R103 PolarHBondContact O-N 3.33Å; E100-K104 HydrophobicContact CG-CD 4.5Å; E100-K104 VanDerWaalsContact O-CG 3.32Å; E100-K104 WeakPolarHBondContact O-CG 3.48Å; E100-K104 PolarHBondContact O-N 3.08Å; E100-K104 WeakPolarHBondContact OE1-CE 3.33Å; E100-K104 IonicContact OE1-NZ 2.61Å; E100-K104 PolarHBondContact OE1-NZ 3.21Å |
| 101 | T | 87 | Confident | 80.6 | Confident | 67 Ų | 67 | 106 Ų | 106 | 41% | 0.411 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.3 | -43.5 | 172.9 | 61.5 | 0 | 0 | 0 | 0 | 111 | N97 E98 R103 K104 I105 | N97-T101 WeakPolarHBondContact O-CG2 3.44Å; N97-T101 PolarHBondContact O-N 2.86Å; E98-T101 PolarHBondContact O-N 3.08Å; E98-T101 PolarHBondContact O-OG1 3.31Å; T101-R103 PolarHBondContact O-N 3.12Å; T101-K104 PolarHBondContact O-N 2.95Å; T101-K104 VanDerWaalsContact O-N 3.11Å; T101-I105 WeakPolarHBondContact O-CB 3.34Å; T101-I105 VanDerWaalsContact O-CG1 3.25Å; T101-I105 WeakPolarHBondContact O-CG1 3.16Å; T101-I105 PolarHBondContact O-N 3.25Å |
| 102 | F | 84.2 | Confident | 78.7 | Confident | 116 Ų | 116 | 108.2 Ų | 108.2 | 51% | 0.509 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.6 | -40.9 | 174.4 | -69.5 | -54.7 | 0 | 0 | 0 | 112.3 | E98 K104 I105 L106 | E98-F102 HydrophobicContact CB-CE2 4.31Å; E98-F102 WeakPolarHBondContact O-CD2 3.39Å; E98-F102 PolarHBondContact O-N 3.46Å; F102-K104 VanDerWaalsContact C-N 3.27Å; F102-K104 PolarHBondContact O-N 3.35Å; F102-I105 PolarHBondContact O-N 3.41Å; F102-L106 VanDerWaalsContact O-CB 3.29Å; F102-L106 WeakPolarHBondContact O-CB 3.22Å; F102-L106 VanDerWaalsContact O-CG 3.28Å; F102-L106 WeakPolarHBondContact O-CG 3.43Å; F102-L106 PolarHBondContact O-N 3.35Å |
| 103 | R | 82.8 | Confident | 76.7 | Confident | 148 Ų | 148 | 108.8 Ų | 108.8 | 56% | 0.558 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63.3 | -28.1 | 173.4 | -77.6 | 172.5 | -176 | 157.4 | 5.2 | 114 | L99 E100 T101 | L99-R103 WeakPolarHBondContact O-CB 3.49Å; L99-R103 VanDerWaalsContact O-CG 3.22Å; L99-R103 WeakPolarHBondContact O-CG 3.29Å; L99-R103 PolarHBondContact O-N 2.76Å; E100-R103 PolarHBondContact O-N 3.33Å; T101-R103 PolarHBondContact O-N 3.12Å |
| 104 | K | 83 | Confident | 74.7 | Confident | 147 Ų | 147 | 111.7 Ų | 111.7 | 64% | 0.639 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -82 | -35.3 | 175.2 | -72.7 | 167.8 | -177 | 168.5 | 0 | 112.6 | E100 T101 F102 | E100-K104 HydrophobicContact CG-CD 4.5Å; E100-K104 VanDerWaalsContact O-CG 3.32Å; E100-K104 WeakPolarHBondContact O-CG 3.48Å; E100-K104 PolarHBondContact O-N 3.08Å; E100-K104 WeakPolarHBondContact OE1-CE 3.33Å; E100-K104 IonicContact OE1-NZ 2.61Å; E100-K104 PolarHBondContact OE1-NZ 3.21Å; T101-K104 PolarHBondContact O-N 2.95Å; T101-K104 VanDerWaalsContact O-N 3.11Å; F102-K104 VanDerWaalsContact C-N 3.27Å; F102-K104 PolarHBondContact O-N 3.35Å |
| 105 | I | 82.5 | Confident | 72.8 | Confident | 115 Ų | 115 | 110.1 Ų | 110.1 | 59% | 0.59 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -78.8 | -34.9 | -178.2 | -67.5 | 164.3 | 0 | 0 | 0 | 111.7 | T101 F102 P107 | T101-I105 WeakPolarHBondContact O-CB 3.34Å; T101-I105 VanDerWaalsContact O-CG1 3.25Å; T101-I105 WeakPolarHBondContact O-CG1 3.16Å; T101-I105 PolarHBondContact O-N 3.25Å; F102-I105 PolarHBondContact O-N 3.41Å; I105-P107 WeakPolarHBondContact O-CD 3.32Å |
| 106 | L | 70.6 | Confident | 71 | Confident | 89 Ų | 89 | 110.3 Ų | 110.3 | 47% | 0.466 | 57% | 0.572 | S | S | . | * | trans | -87.5 | 104.6 | -178.1 | -64.4 | 176.5 | 0 | 0 | 0 | 111.3 | F102 F108 | F102-L106 VanDerWaalsContact O-CB 3.29Å; F102-L106 WeakPolarHBondContact O-CB 3.22Å; F102-L106 VanDerWaalsContact O-CG 3.28Å; F102-L106 WeakPolarHBondContact O-CG 3.43Å; F102-L106 PolarHBondContact O-N 3.35Å; L106-F108 PolarHBondContact O-N 3.33Å | ||
| 107 | P | 60 | Low | 69.1 | Low | 122 Ų | 122 | 107.7 Ų | 107.7 | 79% | 0.792 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | 15.7 | -166.7 | -15.8 | 33.7 | 0 | 0 | 0 | 115.5 | I105 | I105-P107 WeakPolarHBondContact O-CD 3.32Š|
| 108 | F | 59.2 | Low | 67.4 | Low | 193 Ų | 193 | 111.1 Ų | 111.1 | 85% | 0.846 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -147.4 | 6.4 | -165.9 | -121.2 | -87.9 | 0 | 0 | 0 | 117.4 | L106 | L106-F108 PolarHBondContact O-N 3.33Š|
| 109 | T | 54.3 | Low | 65.9 | Low | 80 Ų | 80 | 110.9 Ų | 110.9 | 49% | 0.491 | 60% | 0.601 | S | S | . | * | trans | -104 | 19.4 | -179.4 | 52 | 0 | 0 | 0 | 0 | 114.8 | H111 | T109-H111 VanDerWaalsContact C-N 3.29Å; T109-H111 PolarHBondContact O-N 3.18Å | ||
| 110 | N | 52.9 | Low | 64.2 | Low | 139 Ų | 139 | 111.3 Ų | 111.3 | 74% | 0.743 | 61% | 0.614 | S | S | * | * | trans | -90.4 | 58.3 | 164.4 | -71.2 | -39.9 | 0 | 0 | 0 | 111 | T112 | N110-T112 PolarHBondContact O-N 2.82Š| ||
| 111 | H | 55 | Low | 62.7 | Low | 143 Ų | 143 | 112.8 Ų | 112.8 | 66% | 0.662 | 63% | 0.632 | S | S | * | * | trans | -74.4 | 115.3 | 165.7 | 56.3 | -94.7 | 0 | 0 | 0 | 109.1 | T109 | T109-H111 VanDerWaalsContact C-N 3.29Å; T109-H111 PolarHBondContact O-N 3.18Å | ||
| 112 | T | 55.4 | Low | 60.9 | Low | 125 Ų | 125 | 114.4 Ų | 114.4 | 77% | 0.767 | 65% | 0.652 | S | S | * | * | trans | -46.3 | 153.7 | 165.6 | 39.6 | 0 | 0 | 0 | 0 | 111.7 | N110 L114 | N110-T112 PolarHBondContact O-N 2.82Å; T112-L114 PolarHBondContact O-N 2.91Å | ||
| 113 | P | 50.3 | Low | 59.4 | Low | 72 Ų | 72 | 112.8 Ų | 112.8 | 47% | 0.468 | 66% | 0.66 | S | S | . | * | trans | -66.4 | 136.2 | -149.5 | -20.5 | 31.3 | 0 | 0 | 0 | 113.6 | A115 T116 A117 | P113-A115 HydrophobicContact CB-CB 3.88Å; P113-A115 PolarHBondContact O-N 3.32Å; P113-A115 VanDerWaalsContact O-N 3.12Å; P113-T116 WeakPolarHBondContact O-CB 3.35Å; P113-T116 PolarHBondContact O-N 3.28Å; P113-A117 PolarHBondContact O-N 3.44Å | ||
| 114 | L | 51.5 | Low | 58 | Low | 127 Ų | 127 | 111.6 Ų | 111.6 | 67% | 0.665 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -55.1 | -24.3 | 158.4 | -99.2 | 164.7 | 0 | 0 | 0 | 111.7 | T112 T116 A117 L118 | T112-L114 PolarHBondContact O-N 2.91Å; L114-T116 VanDerWaalsContact C-N 3.28Å; L114-T116 PolarHBondContact O-N 2.93Å; L114-A117 PolarHBondContact O-N 3.36Å; L114-L118 WeakPolarHBondContact O-CG 3.41Å; L114-L118 PolarHBondContact O-N 3.01Å |
| 115 | A | 54.3 | Low | 56.6 | Low | 74 Ų | 74 | 110.7 Ų | 110.7 | 61% | 0.612 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -65 | -24.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | P113 S119 | P113-A115 HydrophobicContact CB-CB 3.88Å; P113-A115 PolarHBondContact O-N 3.32Å; P113-A115 VanDerWaalsContact O-N 3.12Å; A115-S119 WeakPolarHBondContact O-CB 3.48Å |
| 116 | T | 55 | Low | 55.1 | Low | 90 Ų | 90 | 111.6 Ų | 111.6 | 55% | 0.552 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -84.7 | -36.3 | 175.5 | -53.4 | 0 | 0 | 0 | 0 | 111.2 | P113 L114 L118 S119 A120 | P113-T116 WeakPolarHBondContact O-CB 3.35Å; P113-T116 PolarHBondContact O-N 3.28Å; L114-T116 VanDerWaalsContact C-N 3.28Å; L114-T116 PolarHBondContact O-N 2.93Å; T116-L118 PolarHBondContact O-N 3.48Å; T116-S119 PolarHBondContact O-N 2.82Å; T116-A120 PolarHBondContact O-N 3.19Å |
| 117 | A | 52.4 | Low | 54.2 | Low | 74 Ų | 74 | 113.5 Ų | 113.5 | 61% | 0.612 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -63 | -29.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | P113 L114 S119 | P113-A117 PolarHBondContact O-N 3.44Å; L114-A117 PolarHBondContact O-N 3.36Å; A117-S119 VanDerWaalsContact C-N 3.33Å |
| 118 | L | 56.8 | Low | 53.8 | Low | 155 Ų | 155 | 118.9 Ų | 118.9 | 81% | 0.812 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | 1.3 | 173.3 | -65.7 | 172.5 | 0 | 0 | 0 | 114.2 | L114 T116 | L114-L118 WeakPolarHBondContact O-CG 3.41Å; L114-L118 PolarHBondContact O-N 3.01Å; T116-L118 PolarHBondContact O-N 3.48Å |
| 119 | S | 59.5 | Low | 52.9 | Low | 94 Ų | 94 | 117.4 Ų | 117.4 | 66% | 0.657 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.6 | 7.8 | -178.8 | -161.3 | 0 | 0 | 0 | 0 | 113.1 | A115 T116 A117 | A115-S119 WeakPolarHBondContact O-CB 3.48Å; T116-S119 PolarHBondContact O-N 2.82Å; A117-S119 VanDerWaalsContact C-N 3.33Å |
| 120 | A | 52.2 | Low | 52.9 | Low | 74 Ų | 74 | 120 Ų | 120 | 61% | 0.612 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 132 | 176 | 0 | 0 | 0 | 0 | 0 | 110.8 | T116 | T116-A120 PolarHBondContact O-N 3.19Š|
| 121 | P | 58.5 | Low | 52.6 | Low | 125 Ų | 125 | 124.9 Ų | 124.9 | 81% | 0.812 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 135.8 | -176.2 | 28 | -34.5 | 0 | 0 | 0 | 111.5 | A123 | P121-A123 PolarHBondContact O-N 2.94Š|
| 122 | A | 47.9 | Very low | 52.5 | Low | 100 Ų | 100 | 123.9 Ų | 123.9 | 83% | 0.826 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 120.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 123 | A | 53.4 | Low | 52.2 | Low | 82 Ų | 82 | 125.3 Ų | 125.3 | 68% | 0.678 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 143.4 | 157.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | P121 T125 | P121-A123 PolarHBondContact O-N 2.94Å; A123-T125 PolarHBondContact O-N 3.02Å; A123-T125 VanDerWaalsContact O-N 3.12Å |
| 124 | P | 54.1 | Low | 51.7 | Low | 124 Ų | 124 | 130.4 Ų | 130.4 | 81% | 0.805 | 76% | 0.764 | S | S | * | * | trans | -83.9 | 93.8 | -165.2 | 32.4 | -35.8 | 0 | 0 | 0 | 113.1 | V126 | P124-V126 PolarHBondContact O-N 3.44Š| ||
| 125 | T | 53.9 | Low | 51.5 | Low | 128 Ų | 128 | 130 Ų | 130 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | -80.4 | 111.8 | 166.3 | -56.7 | 0 | 0 | 0 | 0 | 110.5 | A123 V127 | A123-T125 PolarHBondContact O-N 3.02Å; A123-T125 VanDerWaalsContact O-N 3.12Å; T125-V127 HydrophobicContact CG2-CG2 4.31Å; T125-V127 PolarHBondContact O-N 3.49Å | ||
| 126 | V | 50.2 | Low | 50.8 | Low | 133 Ų | 133 | 137 Ų | 137 | 81% | 0.806 | 78% | 0.778 | S | S | * | * | trans | -69.1 | 107.1 | 178.1 | 178.9 | 0 | 0 | 0 | 0 | 110.7 | P124 | P124-V126 PolarHBondContact O-N 3.44Š| ||
| 127 | V | 51.1 | Low | 50.2 | Low | 130 Ų | 130 | 140.6 Ų | 140.6 | 79% | 0.788 | 79% | 0.792 | S | S | * | * | trans | -131.5 | 139.9 | 164 | -175 | 0 | 0 | 0 | 0 | 109.6 | T125 | T125-V127 HydrophobicContact CG2-CG2 4.31Å; T125-V127 PolarHBondContact O-N 3.49Å | ||
| 128 | R | 51.7 | Low | 49.5 | Very low | 235 Ų | 235 | 143.6 Ų | 143.6 | 89% | 0.887 | 80% | 0.798 | S | S | * | * | trans | -79.7 | 152.1 | -160.8 | -67.8 | 172.4 | 172.8 | 144.8 | -3.2 | 114 | T130 | R128-T130 PolarHBondContact O-N 2.92Š| ||
| 129 | N | 41.4 | Very low | 48.8 | Very low | 162 Ų | 162 | 141 Ų | 141 | 87% | 0.866 | 79% | 0.792 | S | S | * | * | trans | -48.9 | 119 | 177.7 | -75 | -29.3 | 0 | 0 | 0 | 115 | ||||
| 130 | T | 52.7 | Low | 48.1 | Very low | 134 Ų | 134 | 146.8 Ų | 146.8 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | trans | -135.9 | 130.5 | 134.1 | 49.9 | 0 | 0 | 0 | 0 | 108.8 | R128 | R128-T130 PolarHBondContact O-N 2.92Š| ||
| 131 | R | 47.6 | Very low | 47.9 | Very low | 241 Ų | 241 | 148.8 Ų | 148.8 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | trans | -84.1 | 136 | 179.8 | -70.6 | 175.2 | 170 | 178 | -4.3 | 110.6 | ||||
| 132 | P | 52.8 | Low | 47 | Very low | 123 Ų | 123 | 154.6 Ų | 154.6 | 80% | 0.799 | 81% | 0.814 | S | S | * | * | trans | -112.6 | 146.9 | 144.4 | 18.7 | -1.5 | 0 | 0 | 0 | 111.1 | ||||
| 133 | L | 49.1 | Very low | 46.8 | Very low | 154 Ų | 154 | 157.3 Ų | 157.3 | 81% | 0.806 | 81% | 0.809 | S | S | * | * | trans | -78.2 | 133.4 | -174 | -66.2 | 164.9 | 0 | 0 | 0 | 111.8 | T135 | L133-T135 PolarHBondContact O-N 2.95Š| ||
| 134 | L | 39.6 | Very low | 46.1 | Very low | 180 Ų | 180 | 160.4 Ų | 160.4 | 94% | 0.942 | 82% | 0.815 | S | S | * | * | trans | -78.3 | 85 | 175.2 | -114.4 | 169.5 | 0 | 0 | 0 | 111.1 | R136 | L134-R136 PolarHBondContact O-N 3.22Š| ||
| 135 | T | 48 | Very low | 45.6 | Very low | 118 Ų | 118 | 162.9 Ų | 162.9 | 72% | 0.724 | 82% | 0.82 | S | S | * | * | trans | -90.9 | 90.3 | 171.1 | 45 | 0 | 0 | 0 | 0 | 112.1 | L133 I137 | L133-T135 PolarHBondContact O-N 2.95Å; T135-I137 PolarHBondContact O-N 3.27Å | ||
| 136 | R | 38.3 | Very low | 45.3 | Very low | 221 Ų | 221 | 161.1 Ų | 161.1 | 83% | 0.834 | 82% | 0.818 | S | S | * | * | trans | 31 | 76.9 | 139.8 | -160 | -176.3 | -154.6 | 178.6 | 6.4 | 116.7 | L134 N138 | L134-R136 PolarHBondContact O-N 3.22Å; R136-N138 VanDerWaalsContact C-N 3.33Å; R136-N138 PolarHBondContact O-N 3.46Å | ||
| 137 | I | 42.9 | Very low | 45.2 | Very low | 165 Ų | 165 | 160.7 Ų | 160.7 | 85% | 0.846 | 82% | 0.819 | S | S | * | * | trans | -75.1 | 87.5 | 169.7 | -57 | 174 | 0 | 0 | 0 | 108.9 | T135 | T135-I137 PolarHBondContact O-N 3.27Š| ||
| 138 | N | 37.6 | Very low | 44.7 | Very low | 137 Ų | 137 | 164.7 Ų | 164.7 | 73% | 0.733 | 82% | 0.821 | S | S | * | * | trans | -137.2 | 68.7 | 171.4 | -111.6 | -13.6 | 0 | 0 | 0 | 108.5 | R136 | R136-N138 VanDerWaalsContact C-N 3.33Å; R136-N138 PolarHBondContact O-N 3.46Å | ||
| 139 | S | 42.8 | Very low | 44.6 | Very low | 100 Ų | 100 | 157.9 Ų | 157.9 | 70% | 0.699 | 81% | 0.807 | S | S | * | * | trans | -153.9 | 89.2 | 178.9 | 55.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 140 | Y | 43.4 | Very low | 44.7 | Very low | 217 Ų | 217 | 154.7 Ų | 154.7 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | trans | -68.2 | 140.8 | 162.8 | -68.7 | -81.4 | 0 | 0 | 0 | 109.2 | R142 | Y140-R142 PolarHBondContact O-N 2.68Š| ||
| 141 | P | 49 | Very low | 44.1 | Very low | 115 Ų | 115 | 154.4 Ų | 154.4 | 75% | 0.747 | 80% | 0.797 | S | S | * | * | trans | -60.3 | 122.2 | -177.8 | -23.3 | 33.7 | 0 | 0 | 0 | 111.8 | E143 | P141-E143 PolarHBondContact O-N 2.98Š| ||
| 142 | R | 39.5 | Very low | 43.6 | Very low | 248 Ų | 248 | 151.6 Ų | 151.6 | 94% | 0.936 | 79% | 0.791 | S | S | * | * | trans | -93.8 | 71.3 | 177.1 | -167.8 | -164.2 | -168 | -93.4 | 3.2 | 110.2 | Y140 | Y140-R142 PolarHBondContact O-N 2.68Š| ||
| 143 | E | 44.4 | Very low | 42.9 | Very low | 156 Ų | 156 | 158.3 Ų | 158.3 | 73% | 0.729 | 80% | 0.801 | S | S | * | * | trans | -108.3 | 124 | 176.9 | -66.5 | -164.4 | -162.1 | 0 | 0 | 112.7 | P141 | P141-E143 PolarHBondContact O-N 2.98Š| ||
| 144 | N | 39 | Very low | 42.2 | Very low | 148 Ų | 148 | 155.4 Ų | 155.4 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | trans | 53.8 | 65.5 | 153.7 | -60.3 | -44.9 | 0 | 0 | 0 | 118.6 | ||||
| 145 | L | 42.4 | Very low | 41.9 | Very low | 175 Ų | 175 | 152.7 Ų | 152.7 | 92% | 0.916 | 79% | 0.788 | S | S | * | * | trans | -112 | 111.2 | 146.8 | -70.4 | 177.8 | 0 | 0 | 0 | 109.6 | ||||
| 146 | A | 48.5 | Very low | 41.3 | Very low | 91 Ų | 91 | 158.3 Ų | 158.3 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 151.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y148 | A146-Y148 PolarHBondContact O-N 3.18Š|
| 147 | P | 46.4 | Very low | 41 | Very low | 125 Ų | 125 | 159.8 Ų | 159.8 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 123.1 | 179.3 | -16 | 29.9 | 0 | 0 | 0 | 110.8 | ||
| 148 | Y | 42.4 | Very low | 40.7 | Very low | 213 Ų | 213 | 158.1 Ų | 158.1 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 124.8 | 172.3 | -137.8 | -89 | 0 | 0 | 0 | 108.9 | A146 A150 | A146-Y148 PolarHBondContact O-N 3.18Å; Y148-A150 PolarHBondContact O-N 3Å |
| 149 | P | 48.4 | Very low | 40.4 | Very low | 93 Ų | 93 | 157.5 Ų | 157.5 | 60% | 0.604 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 121.3 | -176 | 26.1 | -33.2 | 0 | 0 | 0 | 110.4 | N151 | P149-N151 PolarHBondContact O-N 3.34Š|
| 150 | A | 42.8 | Very low | 40 | Very low | 94 Ų | 94 | 157.3 Ų | 157.3 | 78% | 0.777 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -74.9 | 16.5 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y148 | Y148-A150 PolarHBondContact O-N 3Š|
| 151 | N | 40.9 | Very low | 39.8 | Very low | 128 Ų | 128 | 153.1 Ų | 153.1 | 68% | 0.684 | 80% | 0.804 | S | S | * | * | trans | -130.6 | 60.8 | -157.5 | -58.4 | 11.5 | 0 | 0 | 0 | 112.8 | P149 | P149-N151 PolarHBondContact O-N 3.34Š| ||
| 152 | F | 37.3 | Very low | 39.4 | Very low | 182 Ų | 182 | 153.8 Ų | 153.8 | 80% | 0.798 | 81% | 0.805 | S | S | * | * | trans | -131.7 | 31.8 | 177.1 | -106.9 | -84.5 | 0 | 0 | 0 | 115.3 | ||||
| 153 | W | 38.6 | Very low | 39.3 | Very low | 264 Ų | 264 | 146.2 Ų | 146.2 | 100% | 1 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -108.1 | 33.2 | 170.9 | -72.8 | 72.7 | 0 | 0 | 0 | 112.5 | ||
| 154 | S | 34.7 | Very low | 39.3 | Very low | 93 Ų | 93 | 143.4 Ų | 143.4 | 65% | 0.65 | 79% | 0.791 | S | S | * | * | trans | -153.5 | 106.4 | 175.5 | 56 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 155 | C | 32.1 | Very low | 39.7 | Very low | 123 Ų | 123 | 143.9 Ų | 143.9 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | trans | 171.9 | 89.7 | 154.3 | -96.2 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 156 | R | 35.3 | Very low | 39.6 | Very low | 237 Ų | 237 | 143.2 Ų | 143.2 | 89% | 0.894 | 79% | 0.785 | S | S | * | * | 38.7 | 122.2 | 92.3 | -73.4 | -166.9 | -168.8 | -106.3 | 1.5 | 113.6 | T158 | R156-T158 PolarHBondContact O-N 3.06Š| |||
| 157 | R | 32.7 | Very low | 39.3 | Very low | 251 Ų | 251 | 147.9 Ų | 147.9 | 95% | 0.947 | 79% | 0.785 | S | S | * | * | trans | -54.9 | 111.5 | 167.3 | -72.4 | 172.9 | -86.9 | -111.9 | -0.8 | 110.7 | ||||
| 158 | T | 37.2 | Very low | 39.7 | Very low | 131 Ų | 131 | 145.5 Ų | 145.5 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | trans | -137.8 | 143.2 | 146.1 | 48.6 | 0 | 0 | 0 | 0 | 107.9 | R156 | R156-T158 PolarHBondContact O-N 3.06Š| ||
| 159 | S | 31.7 | Very low | 40.1 | Very low | 124 Ų | 124 | 138.1 Ų | 138.1 | 87% | 0.867 | 75% | 0.751 | S | S | * | * | trans | -77.9 | 118 | -178.5 | 44.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 160 | S | 34.1 | Very low | 40.3 | Very low | 95 Ų | 95 | 141.1 Ų | 141.1 | 66% | 0.664 | 76% | 0.755 | S | S | * | * | trans | -159.6 | 130.9 | 163.9 | -172.9 | 0 | 0 | 0 | 0 | 111.2 | V162 | S160-V162 PolarHBondContact O-N 3.19Š| ||
| 161 | P | 39.1 | Very low | 40.6 | Very low | 130 Ų | 130 | 139.5 Ų | 139.5 | 84% | 0.844 | 74% | 0.741 | S | S | * | * | trans | -98.9 | 73.2 | -175.9 | 37.9 | -33.1 | 0 | 0 | 0 | 112.6 | ||||
| 162 | V | 40.2 | Very low | 41.3 | Very low | 128 Ų | 128 | 136.2 Ų | 136.2 | 78% | 0.776 | 73% | 0.732 | S | S | * | * | trans | -138.4 | 90.5 | 177.8 | -172.2 | 0 | 0 | 0 | 0 | 112.4 | S160 | S160-V162 PolarHBondContact O-N 3.19Š| ||
| 163 | A | 37.8 | Very low | 42.2 | Very low | 89 Ų | 89 | 133.9 Ų | 133.9 | 74% | 0.736 | 72% | 0.723 | S | S | * | * | trans | 156.6 | 125.3 | 153.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 164 | P | 44 | Very low | 42.8 | Very low | 97 Ų | 97 | 126.3 Ų | 126.3 | 63% | 0.63 | 70% | 0.702 | S | S | * | * | -150.3 | 104.4 | 89.5 | 35.1 | -15.3 | 0 | 0 | 0 | 114.5 | |||||
| 165 | Q | 46.3 | Very low | 43.6 | Very low | 159 Ų | 159 | 123.4 Ų | 123.4 | 74% | 0.743 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -101.2 | -8.2 | 178.1 | -69.7 | -70.5 | 18.1 | 0 | 0 | 115.5 | T168 | Q165-T168 PolarHBondContact O-OG1 2.68Å; Q165-T168 VanDerWaalsContact O-OG1 3.12Å |
| 166 | L | 41.5 | Very low | 44.8 | Very low | 161 Ų | 161 | 122.4 Ų | 122.4 | 84% | 0.843 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.6 | -16.1 | -174.3 | -74.9 | 169.3 | 0 | 0 | 0 | 115.1 | ||
| 167 | Y | 41.8 | Very low | 45.7 | Very low | 189 Ų | 189 | 117 Ų | 117 | 74% | 0.741 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | -17.4 | 175.5 | -82.5 | -87.5 | 0 | 0 | 0 | 113.2 | ||
| 168 | T | 54.9 | Low | 46.6 | Very low | 74 Ų | 74 | 112 Ų | 112 | 45% | 0.454 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -73.9 | -41.7 | -179 | 49 | 0 | 0 | 0 | 0 | 112.3 | Q165 K170 A171 A172 | Q165-T168 PolarHBondContact O-OG1 2.68Å; Q165-T168 VanDerWaalsContact O-OG1 3.12Å; T168-K170 PolarHBondContact O-N 3.02Å; T168-A171 PolarHBondContact O-N 3.04Å; T168-A172 WeakPolarHBondContact O-CB 3.21Å; T168-A172 PolarHBondContact O-N 3.38Å |
| 169 | A | 52 | Low | 46.9 | Very low | 58 Ų | 58 | 109.2 Ų | 109.2 | 48% | 0.479 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -62 | -42.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q173 | A169-Q173 WeakPolarHBondContact O-CG 3.44Å; A169-Q173 PolarHBondContact O-N 2.87Å |
| 170 | K | 51 | Low | 47.5 | Very low | 157 Ų | 157 | 111.3 Ų | 111.3 | 68% | 0.683 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -72.3 | -32.9 | 175.8 | -83.9 | -174.2 | 173 | -178.8 | 0 | 113 | T168 L174 | T168-K170 PolarHBondContact O-N 3.02Å; K170-L174 WeakPolarHBondContact O-CG 3.45Å; K170-L174 PolarHBondContact O-N 2.9Å; K170-L174 VanDerWaalsContact O-N 3.16Å |
| 171 | A | 50.6 | Low | 48 | Very low | 59 Ų | 59 | 111.6 Ų | 111.6 | 49% | 0.488 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -66.4 | -42.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | T168 L174 A175 | T168-A171 PolarHBondContact O-N 3.04Å; A171-L174 PolarHBondContact O-N 3.46Å; A171-A175 WeakPolarHBondContact O-CB 3.46Å; A171-A175 PolarHBondContact O-N 2.91Å |
| 172 | A | 54.9 | Low | 48.2 | Very low | 60 Ų | 60 | 113.6 Ų | 113.6 | 50% | 0.496 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -64.5 | -42 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | T168 L174 A175 S176 | T168-A172 WeakPolarHBondContact O-CB 3.21Å; T168-A172 PolarHBondContact O-N 3.38Å; A172-L174 VanDerWaalsContact C-N 3.31Å; A172-L174 PolarHBondContact O-N 3.35Å; A172-A175 PolarHBondContact O-N 3.43Å; A172-S176 PolarHBondContact O-N 2.86Å |
| 173 | Q | 55.8 | Low | 48.6 | Very low | 133 Ų | 133 | 113.1 Ų | 113.1 | 62% | 0.621 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -63.1 | -34.7 | 175 | -77.3 | 179.4 | -15.1 | 0 | 0 | 113 | A169 I177 | A169-Q173 WeakPolarHBondContact O-CG 3.44Å; A169-Q173 PolarHBondContact O-N 2.87Å; Q173-I177 WeakPolarHBondContact O-CG1 3.17Å |
| 174 | L | 50.5 | Low | 49.1 | Very low | 105 Ų | 105 | 115.1 Ų | 115.1 | 55% | 0.55 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -76.3 | -37.7 | 175 | -69.5 | 171.9 | 0 | 0 | 0 | 112.3 | K170 A171 A172 S176 I177 F178 | K170-L174 WeakPolarHBondContact O-CG 3.45Å; K170-L174 PolarHBondContact O-N 2.9Å; K170-L174 VanDerWaalsContact O-N 3.16Å; A171-L174 PolarHBondContact O-N 3.46Å; A172-L174 VanDerWaalsContact C-N 3.31Å; A172-L174 PolarHBondContact O-N 3.35Å; L174-S176 VanDerWaalsContact C-N 3.29Å; L174-S176 PolarHBondContact O-N 3.44Å; L174-I177 PolarHBondContact O-N 2.96Å; L174-I177 VanDerWaalsContact O-N 3.11Å; L174-F178 PolarHBondContact O-N 2.96Å |
| 175 | A | 53.4 | Low | 49 | Very low | 31 Ų | 31 | 116.3 Ų | 116.3 | 26% | 0.256 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -60.3 | -39.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A171 A172 I177 F178 G179 | A171-A175 WeakPolarHBondContact O-CB 3.46Å; A171-A175 PolarHBondContact O-N 2.91Å; A172-A175 PolarHBondContact O-N 3.43Å; A175-I177 PolarHBondContact O-N 3.35Å; A175-F178 PolarHBondContact O-N 3.19Å; A175-G179 PolarHBondContact O-N 3.25Å |
| 176 | S | 55.7 | Low | 48.6 | Very low | 103 Ų | 103 | 119.7 Ų | 119.7 | 72% | 0.72 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -61.4 | -20.6 | 174.5 | -177.1 | 0 | 0 | 0 | 0 | 114.6 | A172 L174 | A172-S176 PolarHBondContact O-N 2.86Å; L174-S176 VanDerWaalsContact C-N 3.29Å; L174-S176 PolarHBondContact O-N 3.44Å |
| 177 | I | 54.1 | Low | 48.4 | Very low | 123 Ų | 123 | 117.2 Ų | 117.2 | 63% | 0.631 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -90.7 | -25.1 | -179.1 | -68.1 | 167.9 | 0 | 0 | 0 | 111.5 | Q173 L174 A175 | Q173-I177 WeakPolarHBondContact O-CG1 3.17Å; L174-I177 PolarHBondContact O-N 2.96Å; L174-I177 VanDerWaalsContact O-N 3.11Å; A175-I177 PolarHBondContact O-N 3.35Å |
| 178 | F | 52.9 | Low | 48.1 | Very low | 145 Ų | 145 | 113 Ų | 113 | 64% | 0.636 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -113.1 | 8.6 | -173.8 | -72.9 | -80 | 0 | 0 | 0 | 114.5 | L174 A175 Y180 | L174-F178 PolarHBondContact O-N 2.96Å; A175-F178 PolarHBondContact O-N 3.19Å; F178-Y180 HydrophobicContact CB-CD2 3.77Å; F178-Y180 HydrophobicContact CB-CE2 4.1Å; F178-Y180 VanDerWaalsContact O-CD2 3.29Å; F178-Y180 WeakPolarHBondContact O-CD2 3.27Å; F178-Y180 PolarHBondContact O-N 3.17Å; F178-Y180 VanDerWaalsContact O-N 3.17Å |
| 179 | G | 43.5 | Very low | 47.1 | Very low | 74 Ų | 74 | 114.5 Ų | 114.5 | 76% | 0.763 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 70.8 | 7.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | A175 A181 | A175-G179 PolarHBondContact O-N 3.25Å; G179-A181 PolarHBondContact O-N 3.42Å |
| 180 | Y | 43.2 | Very low | 46.3 | Very low | 167 Ų | 167 | 116.9 Ų | 116.9 | 66% | 0.655 | 71% | 0.707 | S | S | * | * | trans | -85.6 | 101.5 | -179.4 | -70.8 | -72 | 0 | 0 | 0 | 111.8 | F178 F182 | F178-Y180 HydrophobicContact CB-CD2 3.77Å; F178-Y180 HydrophobicContact CB-CE2 4.1Å; F178-Y180 VanDerWaalsContact O-CD2 3.29Å; F178-Y180 WeakPolarHBondContact O-CD2 3.27Å; F178-Y180 PolarHBondContact O-N 3.17Å; F178-Y180 VanDerWaalsContact O-N 3.17Å; Y180-F182 PolarHBondContact O-N 3.47Å | ||
| 181 | A | 45.5 | Very low | 45.5 | Very low | 101 Ų | 101 | 113.3 Ų | 113.3 | 84% | 0.835 | 71% | 0.707 | S | S | * | * | trans | -73.1 | 104.2 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | G179 | G179-A181 PolarHBondContact O-N 3.42Š| ||
| 182 | F | 43.6 | Very low | 44.7 | Very low | 172 Ų | 172 | 116.8 Ų | 116.8 | 75% | 0.754 | 73% | 0.726 | S | S | * | * | trans | -85.2 | 128.9 | 165.9 | -92.7 | -86.8 | 0 | 0 | 0 | 110.1 | Y180 T184 | Y180-F182 PolarHBondContact O-N 3.47Å; F182-T184 PolarHBondContact O-N 3.11Å | ||
| 183 | P | 47.6 | Very low | 43.7 | Very low | 119 Ų | 119 | 117.5 Ų | 117.5 | 77% | 0.773 | 74% | 0.739 | S | S | * | * | trans | -69 | 114.2 | 174.7 | 28 | -32.9 | 0 | 0 | 0 | 109.6 | P185 | P183-P185 VanDerWaalsContact O-CD 3.27Å; P183-P185 WeakPolarHBondContact O-CD 3.39Å | ||
| 184 | T | 49.1 | Very low | 42.8 | Very low | 131 Ų | 131 | 118.1 Ų | 118.1 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | trans | -74.7 | 114.9 | 176.7 | 45.1 | 0 | 0 | 0 | 0 | 111.1 | F182 Y186 | F182-T184 PolarHBondContact O-N 3.11Å; T184-Y186 PolarHBondContact O-N 3.2Å | ||
| 185 | P | 41.7 | Very low | 42.2 | Very low | 121 Ų | 121 | 121.1 Ų | 121.1 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | trans | -98.4 | 62.2 | -176.5 | 38.1 | -30.1 | 0 | 0 | 0 | 111.1 | P183 | P183-P185 VanDerWaalsContact O-CD 3.27Å; P183-P185 WeakPolarHBondContact O-CD 3.39Å | ||
| 186 | Y | 37.8 | Very low | 41.8 | Very low | 231 Ų | 231 | 125.2 Ų | 125.2 | 91% | 0.906 | 78% | 0.78 | S | S | * | * | trans | -161.4 | 76.7 | 175.7 | -127.7 | -80.8 | 0 | 0 | 0 | 113.6 | T184 | T184-Y186 PolarHBondContact O-N 3.2Š| ||
| 187 | A | 37 | Very low | 41.1 | Very low | 108 Ų | 108 | 128.2 Ų | 128.2 | 89% | 0.893 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -153.6 | -29.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 188 | A | 35.9 | Very low | 40.3 | Very low | 101 Ų | 101 | 130.6 Ų | 130.6 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -122.2 | 2.8 | -158.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||
| 189 | A | 34.2 | Very low | 39.6 | Very low | 106 Ų | 106 | 127.4 Ų | 127.4 | 88% | 0.876 | 79% | 0.79 | S | S | * | * | trans | -108 | 42.7 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 190 | A | 34.6 | Very low | 39.4 | Very low | 108 Ų | 108 | 131.2 Ų | 131.2 | 89% | 0.893 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -100.8 | 2.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 191 | A | 34.5 | Very low | 39.1 | Very low | 82 Ų | 82 | 130.6 Ų | 130.6 | 68% | 0.678 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -139.9 | 146.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 192 | C | 34.5 | Very low | 39 | Very low | 132 Ų | 132 | 136.6 Ų | 136.6 | 89% | 0.892 | 80% | 0.797 | S | S | * | * | trans | 56.4 | 95 | 179 | -58.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 193 | G | 32.1 | Very low | 38.8 | Very low | 74 Ų | 74 | 136.9 Ų | 136.9 | 76% | 0.763 | 80% | 0.8 | S | S | * | * | trans | -75.2 | 138.5 | 160.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 194 | D | 38.7 | Very low | 38.4 | Very low | 147 Ų | 147 | 134.9 Ų | 134.9 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | trans | -151.8 | 139.7 | 154.8 | -106.8 | -36.8 | 0 | 0 | 0 | 112.2 | I196 | D194-I196 PolarHBondContact O-N 3.14Š| ||
| 195 | N | 37.4 | Very low | 38.1 | Very low | 168 Ų | 168 | 136.7 Ų | 136.7 | 90% | 0.898 | 80% | 0.799 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | 58.6 | -162.5 | -72.1 | -74.8 | 0 | 0 | 0 | 113.6 | ||
| 196 | I | 45.1 | Very low | 38.3 | Very low | 117 Ų | 117 | 136.4 Ų | 136.4 | 60% | 0.6 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.5 | -29.5 | -169.7 | -59.4 | -178.3 | 0 | 0 | 0 | 114.4 | D194 S199 | D194-I196 PolarHBondContact O-N 3.14Å; I196-S199 PolarHBondContact O-OG 3.2Å |
| 197 | M | 39.5 | Very low | 39 | Very low | 165 Ų | 165 | 127 Ų | 127 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -8.6 | -171.7 | -89.9 | -73.2 | 175.3 | 0 | 0 | 117.1 | ||
| 198 | M | 37.3 | Very low | 40.1 | Very low | 173 Ų | 173 | 124.6 Ų | 124.6 | 85% | 0.852 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | 0.9 | -175.7 | -77.2 | -71.9 | -92 | 0 | 0 | 115.2 | ||
| 199 | S | 39.7 | Very low | 41 | Very low | 78 Ų | 78 | 124.5 Ų | 124.5 | 55% | 0.545 | 74% | 0.735 | S | S | . | * | S | Bend | trans | -93.7 | -24.8 | -177.2 | 56.4 | 0 | 0 | 0 | 0 | 114.4 | I196 | I196-S199 PolarHBondContact O-OG 3.2Š|
| 200 | Q | 38.9 | Very low | 42.2 | Very low | 154 Ų | 154 | 126.8 Ų | 126.8 | 72% | 0.72 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -87.7 | -17.9 | -173.6 | -65.5 | -176.8 | -3.3 | 0 | 0 | 114.2 | R202 | Q200-R202 PolarHBondContact O-N 3.48Š|
| 201 | L | 37.1 | Very low | 43.8 | Very low | 154 Ų | 154 | 124.3 Ų | 124.3 | 81% | 0.806 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | 28.1 | 178.2 | -108.6 | 154.1 | 0 | 0 | 0 | 114.4 | ||
| 202 | R | 42.5 | Very low | 45 | Very low | 228 Ų | 228 | 124.6 Ų | 124.6 | 86% | 0.86 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.5 | -1.9 | 174.5 | -75 | -163.8 | -177 | -147.3 | 5.2 | 114.9 | Q200 | Q200-R202 PolarHBondContact O-N 3.48Š|
| 203 | Q | 40.1 | Very low | 46.3 | Very low | 178 Ų | 178 | 124.2 Ų | 124.2 | 83% | 0.832 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -111.8 | -6.8 | -170.5 | -63.8 | -174 | 2 | 0 | 0 | 115.1 | N205 | Q203-N205 PolarHBondContact O-N 2.74Š|
| 204 | A | 39.2 | Very low | 47.9 | Very low | 76 Ų | 76 | 125 Ų | 125 | 63% | 0.628 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -84.3 | 113.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | V206 | A204-V206 HydrophobicContact CB-CG2 4.39Å; A204-V206 PolarHBondContact O-N 3.24Å |
| 205 | N | 43.1 | Very low | 48.7 | Very low | 170 Ų | 170 | 123.6 Ų | 123.6 | 91% | 0.909 | 65% | 0.648 | S | S | * | * | trans | -74.5 | 62.3 | -176.8 | -170.3 | 23.4 | 0 | 0 | 0 | 112.6 | Q203 | Q203-N205 PolarHBondContact O-N 2.74Š| ||
| 206 | V | 46.4 | Very low | 49.7 | Very low | 114 Ų | 114 | 120.9 Ų | 120.9 | 69% | 0.691 | 63% | 0.632 | S | S | * | * | trans | -97 | 108.3 | 175.3 | -171.1 | 0 | 0 | 0 | 0 | 108.1 | A204 S208 | A204-V206 HydrophobicContact CB-CG2 4.39Å; A204-V206 PolarHBondContact O-N 3.24Å; V206-S208 PolarHBondContact O-N 2.69Å | ||
| 207 | G | 51.9 | Low | 50.2 | Low | 35 Ų | 35 | 117.4 Ų | 117.4 | 36% | 0.361 | 62% | 0.621 | S | S | . | * | trans | -50.4 | 136.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 208 | S | 60.1 | Low | 50.9 | Low | 56 Ų | 56 | 116 Ų | 116 | 39% | 0.392 | 61% | 0.607 | S | S | . | * | trans | -50.9 | 155.5 | -172.9 | 75.1 | 0 | 0 | 0 | 0 | 112 | V206 K210 T211 I212 | V206-S208 PolarHBondContact O-N 2.69Å; S208-K210 CarbonylContact O-C 3.58Å; S208-K210 PolarHBondContact O-N 3.2Å; S208-K210 WeakPolarHBondContact OG-CB 3.38Å; S208-K210 PolarHBondContact OG-N 2.86Å; S208-T211 PolarHBondContact N-OG1 3.42Å; S208-T211 WeakPolarHBondContact O-CA 3.42Å; S208-T211 VanDerWaalsContact O-CB 3.28Å; S208-T211 WeakPolarHBondContact O-CB 3.23Å; S208-T211 PolarHBondContact O-N 2.87Å; S208-T211 PolarHBondContact O-OG1 3.5Å; S208-T211 PolarHBondContact OG-N 3.08Å; S208-T211 PolarHBondContact OG-OG1 3.37Å; S208-I212 PolarHBondContact O-N 3.09Å; S208-I212 VanDerWaalsContact O-N 3.07Å | ||
| 209 | P | 54.4 | Low | 51.5 | Low | 100 Ų | 100 | 111.4 Ų | 111.4 | 65% | 0.649 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -53.2 | -26.2 | 175.6 | -28.5 | 35.6 | 0 | 0 | 0 | 113.5 | M213 | P209-M213 WeakPolarHBondContact O-CB 3.29Å; P209-M213 VanDerWaalsContact O-CE 3.24Å; P209-M213 WeakPolarHBondContact O-CE 3.43Å; P209-M213 VanDerWaalsContact O-CG 3.32Å; P209-M213 WeakPolarHBondContact O-CG 3.46Å; P209-M213 PolarHBondContact O-N 3.22Å; P209-M213 VanDerWaalsContact O-N 3.07Å |
| 210 | K | 60.2 | Low | 51.9 | Low | 153 Ų | 153 | 112.6 Ų | 112.6 | 67% | 0.665 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -67.1 | -43.8 | 171.7 | -169.4 | -177 | 176.9 | -168.9 | 0 | 112.2 | S208 M213 E214 | S208-K210 CarbonylContact O-C 3.58Å; S208-K210 PolarHBondContact O-N 3.2Å; S208-K210 WeakPolarHBondContact OG-CB 3.38Å; S208-K210 PolarHBondContact OG-N 2.86Å; K210-M213 PolarHBondContact O-N 2.88Å; K210-E214 VanDerWaalsContact O-CB 3.32Å; K210-E214 WeakPolarHBondContact O-CB 3.42Å; K210-E214 PolarHBondContact O-N 2.84Å |
| 211 | T | 67.2 | Low | 52.3 | Low | 56 Ų | 56 | 112.1 Ų | 112.1 | 34% | 0.344 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -63.9 | -45.1 | 176.6 | -42.1 | 0 | 0 | 0 | 0 | 111.4 | S208 E214 H215 | S208-T211 PolarHBondContact N-OG1 3.42Å; S208-T211 WeakPolarHBondContact O-CA 3.42Å; S208-T211 VanDerWaalsContact O-CB 3.28Å; S208-T211 WeakPolarHBondContact O-CB 3.23Å; S208-T211 PolarHBondContact O-N 2.87Å; S208-T211 PolarHBondContact O-OG1 3.5Å; S208-T211 PolarHBondContact OG-N 3.08Å; S208-T211 PolarHBondContact OG-OG1 3.37Å; T211-E214 PolarHBondContact O-N 2.85Å; T211-E214 VanDerWaalsContact O-N 3.13Å; T211-H215 PolarHBondContact O-CD2 3.34Å; T211-H215 VanDerWaalsContact O-CD2 3.26Å; T211-H215 PolarHBondContact O-N 3.32Å |
| 212 | I | 60.5 | Low | 52.4 | Low | 89 Ų | 89 | 114.4 Ų | 114.4 | 46% | 0.456 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -62.8 | -45.8 | 176.3 | -62 | 172.8 | 0 | 0 | 0 | 110.6 | S208 E214 H215 L216 | S208-I212 PolarHBondContact O-N 3.09Å; S208-I212 VanDerWaalsContact O-N 3.07Å; I212-E214 PolarHBondContact O-N 3.12Å; I212-H215 PolarHBondContact O-N 3.24Å; I212-L216 HydrophobicContact CG2-CD1 4.16Å; I212-L216 WeakPolarHBondContact O-CG 3.41Å; I212-L216 PolarHBondContact O-N 3.48Å |
| 213 | M | 62 | Low | 52.5 | Low | 124 Ų | 124 | 108.8 Ų | 108.8 | 61% | 0.611 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -61.9 | -30.3 | 173.5 | -77 | -173.1 | -71.9 | 0 | 0 | 113.3 | P209 K210 A217 | P209-M213 WeakPolarHBondContact O-CB 3.29Å; P209-M213 VanDerWaalsContact O-CE 3.24Å; P209-M213 WeakPolarHBondContact O-CE 3.43Å; P209-M213 VanDerWaalsContact O-CG 3.32Å; P209-M213 WeakPolarHBondContact O-CG 3.46Å; P209-M213 PolarHBondContact O-N 3.22Å; P209-M213 VanDerWaalsContact O-N 3.07Å; K210-M213 PolarHBondContact O-N 2.88Å; M213-A217 VanDerWaalsContact O-CB 3.28Å; M213-A217 WeakPolarHBondContact O-CB 3.48Å; M213-A217 PolarHBondContact O-N 2.95Å |
| 214 | E | 65 | Low | 52.2 | Low | 89 Ų | 89 | 103.7 Ų | 103.7 | 42% | 0.416 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -76.7 | -36.2 | 178.9 | -160.2 | 175.4 | 153 | 0 | 0 | 112.3 | K210 T211 I212 A217 R218 | K210-E214 VanDerWaalsContact O-CB 3.32Å; K210-E214 WeakPolarHBondContact O-CB 3.42Å; K210-E214 PolarHBondContact O-N 2.84Å; T211-E214 PolarHBondContact O-N 2.85Å; T211-E214 VanDerWaalsContact O-N 3.13Å; I212-E214 PolarHBondContact O-N 3.12Å; E214-A217 PolarHBondContact O-N 3.07Å; E214-R218 WeakPolarHBondContact O-CG 3.43Å; E214-R218 PolarHBondContact O-N 3.19Å; E214-R218 VanDerWaalsContact O-N 3.07Å; E214-R218 IonicContact OE1-CZ 2.78Å; E214-R218 IonicContact OE1-NH2 3.63Å; E214-R218 PolarHBondContact OE1-NH2 2.91Å |
| 215 | H | 56 | Low | 52.2 | Low | 119 Ų | 119 | 106.2 Ų | 106.2 | 55% | 0.551 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66 | -43.8 | 170.1 | -81.4 | -117.7 | 0 | 0 | 0 | 111.6 | T211 I212 A217 R218 A219 | T211-H215 PolarHBondContact O-CD2 3.34Å; T211-H215 VanDerWaalsContact O-CD2 3.26Å; T211-H215 PolarHBondContact O-N 3.32Å; I212-H215 PolarHBondContact O-N 3.24Å; H215-A217 VanDerWaalsContact C-N 3.34Å; H215-A217 PolarHBondContact O-N 2.85Å; H215-R218 PolarHBondContact O-N 3.13Å; H215-A219 PolarHBondContact O-N 3.33Å; H215-A219 VanDerWaalsContact O-N 3.1Å |
| 216 | L | 57.5 | Low | 52.2 | Low | 110 Ų | 110 | 107.8 Ų | 107.8 | 58% | 0.576 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -62.7 | -38.1 | 173.8 | -71.2 | 173.8 | 0 | 0 | 0 | 112.2 | I212 A219 T220 | I212-L216 HydrophobicContact CG2-CD1 4.16Å; I212-L216 WeakPolarHBondContact O-CG 3.41Å; I212-L216 PolarHBondContact O-N 3.48Å; L216-A219 PolarHBondContact O-N 3.32Å; L216-T220 PolarHBondContact O-N 3.16Å |
| 217 | A | 56.5 | Low | 52 | Low | 44 Ų | 44 | 109.4 Ų | 109.4 | 36% | 0.364 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63.7 | -45.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | M213 E214 H215 A219 T220 E221 | M213-A217 VanDerWaalsContact O-CB 3.28Å; M213-A217 WeakPolarHBondContact O-CB 3.48Å; M213-A217 PolarHBondContact O-N 2.95Å; E214-A217 PolarHBondContact O-N 3.07Å; H215-A217 VanDerWaalsContact C-N 3.34Å; H215-A217 PolarHBondContact O-N 2.85Å; A217-A219 VanDerWaalsContact C-N 3.29Å; A217-A219 PolarHBondContact O-N 3.08Å; A217-T220 PolarHBondContact O-N 3.42Å; A217-T220 PolarHBondContact O-OG1 3.23Å; A217-E221 PolarHBondContact O-N 3Å |
| 218 | R | 53.8 | Low | 51.6 | Low | 135 Ų | 135 | 113 Ų | 113 | 51% | 0.509 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -63 | -33.9 | 177.3 | -68.7 | 175.5 | -158.9 | 165.7 | 5.7 | 112.5 | E214 H215 T220 E221 | E214-R218 WeakPolarHBondContact O-CG 3.43Å; E214-R218 PolarHBondContact O-N 3.19Å; E214-R218 VanDerWaalsContact O-N 3.07Å; E214-R218 IonicContact OE1-CZ 2.78Å; E214-R218 IonicContact OE1-NH2 3.63Å; E214-R218 PolarHBondContact OE1-NH2 2.91Å; H215-R218 PolarHBondContact O-N 3.13Å; R218-T220 PolarHBondContact O-N 3.32Å; R218-E221 PolarHBondContact O-N 3.04Å |
| 219 | A | 49.3 | Very low | 50.9 | Low | 77 Ų | 77 | 116.3 Ų | 116.3 | 64% | 0.636 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -64.3 | -23.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | H215 L216 A217 | H215-A219 PolarHBondContact O-N 3.33Å; H215-A219 VanDerWaalsContact O-N 3.1Å; L216-A219 PolarHBondContact O-N 3.32Å; A217-A219 VanDerWaalsContact C-N 3.29Å; A217-A219 PolarHBondContact O-N 3.08Å |
| 220 | T | 47.4 | Very low | 50.3 | Low | 103 Ų | 103 | 118.9 Ų | 118.9 | 63% | 0.632 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | -1.8 | 176.2 | 62.8 | 0 | 0 | 0 | 0 | 114.8 | L216 A217 R218 | L216-T220 PolarHBondContact O-N 3.16Å; A217-T220 PolarHBondContact O-N 3.42Å; A217-T220 PolarHBondContact O-OG1 3.23Å; R218-T220 PolarHBondContact O-N 3.32Å |
| 221 | E | 47.7 | Very low | 49.5 | Very low | 145 Ų | 145 | 119 Ų | 119 | 68% | 0.678 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -90.1 | -3.5 | -179.1 | -76.5 | -177.5 | 159.4 | 0 | 0 | 113.9 | A217 R218 | A217-E221 PolarHBondContact O-N 3Å; R218-E221 PolarHBondContact O-N 3.04Å |
| 222 | Y | 38.8 | Very low | 48.2 | Very low | 201 Ų | 201 | 119.9 Ų | 119.9 | 79% | 0.788 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -113.6 | 106.9 | 166.8 | -82.1 | -90 | 0 | 0 | 0 | 110.3 | C224 | Y222-C224 PolarHBondContact O-N 2.89Š|
| 223 | P | 44.8 | Very low | 47.3 | Very low | 110 Ų | 110 | 121.3 Ų | 121.3 | 71% | 0.714 | 64% | 0.638 | S | S | * | * | trans | -67.3 | 122.2 | 174.8 | -17 | 30.7 | 0 | 0 | 0 | 110.5 | ||||
| 224 | C | 33.7 | Very low | 46.6 | Very low | 71 Ų | 71 | 119.7 Ų | 119.7 | 48% | 0.48 | 64% | 0.636 | S | S | . | * | trans | -61 | 129.9 | 169.5 | -74.6 | 0 | 0 | 0 | 0 | 109.5 | Y222 W226 | Y222-C224 PolarHBondContact O-N 2.89Å; C224-W226 PolarHBondContact O-N 3.23Å | ||
| 225 | P | 39.7 | Very low | 46.2 | Very low | 129 Ų | 129 | 121.6 Ų | 121.6 | 84% | 0.838 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | -1.3 | -167.4 | -28.6 | 36.3 | 0 | 0 | 0 | 118.5 | ||
| 226 | W | 42.9 | Very low | 46.8 | Very low | 203 Ų | 203 | 118.5 Ų | 118.5 | 77% | 0.769 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.8 | -2.3 | -169.9 | 53.6 | -95.5 | 0 | 0 | 0 | 115.2 | C224 V228 | C224-W226 PolarHBondContact O-N 3.23Å; W226-V228 VanDerWaalsContact C-N 3.27Å; W226-V228 PolarHBondContact O-N 3.43Å |
| 227 | E | 43.4 | Very low | 47.3 | Very low | 148 Ų | 148 | 117.7 Ų | 117.7 | 69% | 0.692 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | 7 | -171.5 | -130.4 | 176.4 | -167.9 | 0 | 0 | 115.3 | ||
| 228 | V | 43.7 | Very low | 47.9 | Very low | 111 Ų | 111 | 121.2 Ų | 121.2 | 67% | 0.673 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -14.4 | -164.6 | -178.4 | 0 | 0 | 0 | 0 | 114.7 | W226 | W226-V228 VanDerWaalsContact C-N 3.27Å; W226-V228 PolarHBondContact O-N 3.43Å |
| 229 | D | 43.5 | Very low | 48.9 | Very low | 125 Ų | 125 | 121 Ų | 121 | 67% | 0.668 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -121.9 | -2.2 | -164.6 | -78.4 | -43.9 | 0 | 0 | 0 | 117.4 | K237 | D229-K237 IonicContact OD1-NZ 2.6Å; D229-K237 PolarHBondContact OD1-NZ 3.26Å |
| 230 | L | 43.9 | Very low | 50.2 | Low | 155 Ų | 155 | 122.6 Ų | 122.6 | 81% | 0.812 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -94.6 | -10.6 | -168.7 | -135.6 | 69.9 | 0 | 0 | 0 | 117.2 | ||
| 231 | F | 42.1 | Very low | 51.7 | Low | 156 Ų | 156 | 125.4 Ų | 125.4 | 68% | 0.684 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -131.6 | 100.7 | 178.6 | -85.1 | -90 | 0 | 0 | 0 | 114.9 | L86 Q233 | L86-F231 HydrophobicContact CD2-CD2 4.31Å; L86-F231 HydrophobicContact CD2-CE1 4.37Å; L86-F231 HydrophobicContact CD2-CE2 3.32Å; L86-F231 HydrophobicContact CD2-CZ 3.36Å; F231-Q233 PolarHBondContact O-N 3.47Å |
| 232 | G | 40.1 | Very low | 53 | Low | 74 Ų | 74 | 125.1 Ų | 125.1 | 76% | 0.763 | 64% | 0.636 | S | S | * | * | S | Bend | trans | 80.8 | 2 | 138.9 | 0 | 0 | 0 | 0 | 0 | 120 | T234 | G232-T234 VanDerWaalsContact C-N 3.28Å; G232-T234 PolarHBondContact O-N 2.84Å |
| 233 | Q | 42.3 | Very low | 55 | Low | 118 Ų | 118 | 120.5 Ų | 120.5 | 55% | 0.551 | 62% | 0.62 | S | S | * | * | trans | -88.3 | 49.7 | 169.7 | -71.4 | -166.7 | 28.2 | 0 | 0 | 113.1 | F231 S236 K237 | F231-Q233 PolarHBondContact O-N 3.47Å; Q233-S236 PolarHBondContact OE1-OG 3.48Å; Q233-K237 HydrophobicContact CB-CD 4.31Å; Q233-K237 HydrophobicContact CB-CG 4.22Å; Q233-K237 WeakPolarHBondContact O-CB 3.46Å; Q233-K237 WeakPolarHBondContact O-CG 3.36Å | ||
| 234 | T | 47.8 | Very low | 56.7 | Low | 91 Ų | 91 | 119.9 Ų | 119.9 | 56% | 0.558 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -70.2 | -51 | 170.9 | 47.7 | 0 | 0 | 0 | 0 | 110.4 | G232 Q238 | G232-T234 VanDerWaalsContact C-N 3.28Å; G232-T234 PolarHBondContact O-N 2.84Å; T234-Q238 VanDerWaalsContact O-CB 3.27Å; T234-Q238 WeakPolarHBondContact O-CB 3.4Å; T234-Q238 WeakPolarHBondContact O-CG 3.43Å; T234-Q238 PolarHBondContact O-N 3.08Å |
| 235 | D | 56 | Low | 58.8 | Low | 128 Ų | 128 | 120.9 Ų | 120.9 | 68% | 0.684 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -75.3 | -37.4 | -166.6 | -59.3 | 2.4 | 0 | 0 | 0 | 112.4 | Y239 | D235-Y239 VanDerWaalsContact O-CB 3.22Å; D235-Y239 WeakPolarHBondContact O-CB 3.1Å; D235-Y239 PolarHBondContact O-N 2.73Å |
| 236 | S | 69 | Low | 60.5 | Low | 54 Ų | 54 | 120.9 Ų | 120.9 | 38% | 0.378 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -72 | -42.2 | 177.7 | 61.9 | 0 | 0 | 0 | 0 | 112.6 | Q233 Y239 L240 | Q233-S236 PolarHBondContact OE1-OG 3.48Å; S236-Y239 PolarHBondContact O-N 2.69Å; S236-L240 WeakPolarHBondContact O-CD1 2.94Å; S236-L240 PolarHBondContact O-N 2.74Å |
| 237 | K | 68.2 | Low | 62.1 | Low | 94 Ų | 94 | 119.4 Ų | 119.4 | 41% | 0.409 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -67.1 | -40.6 | 176.1 | -71.1 | -178.6 | 178.6 | 176 | 0 | 110.7 | D229 Q233 R241 | D229-K237 IonicContact OD1-NZ 2.6Å; D229-K237 PolarHBondContact OD1-NZ 3.26Å; Q233-K237 HydrophobicContact CB-CD 4.31Å; Q233-K237 HydrophobicContact CB-CG 4.22Å; Q233-K237 WeakPolarHBondContact O-CB 3.46Å; Q233-K237 WeakPolarHBondContact O-CG 3.36Å; K237-R241 WeakPolarHBondContact O-CB 3.39Å; K237-R241 PolarHBondContact O-N 2.9Å |
| 238 | Q | 68.9 | Low | 63.3 | Low | 118 Ų | 118 | 119.4 Ų | 119.4 | 55% | 0.551 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -64.2 | -45.6 | 174.2 | -69.5 | -76 | 10.1 | 0 | 0 | 111.9 | T234 L240 R241 Q242 | T234-Q238 VanDerWaalsContact O-CB 3.27Å; T234-Q238 WeakPolarHBondContact O-CB 3.4Å; T234-Q238 WeakPolarHBondContact O-CG 3.43Å; T234-Q238 PolarHBondContact O-N 3.08Å; Q238-L240 PolarHBondContact O-N 3.33Å; Q238-R241 PolarHBondContact O-N 3.11Å; Q238-Q242 WeakPolarHBondContact O-CB 3.43Å; Q238-Q242 PolarHBondContact O-N 3.41Å |
| 239 | Y | 74.9 | Confident | 64.2 | Low | 130 Ų | 130 | 118.1 Ų | 118.1 | 51% | 0.51 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -60.5 | -42.8 | 177 | 179.8 | -99.8 | 0 | 0 | 0 | 112.8 | D235 S236 Q242 K243 | D235-Y239 VanDerWaalsContact O-CB 3.22Å; D235-Y239 WeakPolarHBondContact O-CB 3.1Å; D235-Y239 PolarHBondContact O-N 2.73Å; S236-Y239 PolarHBondContact O-N 2.69Å; Y239-Q242 PolarHBondContact O-N 3.32Å; Y239-K243 HydrophobicContact CE1-CD 3.93Å; Y239-K243 PolarHBondContact O-N 2.96Å; Y239-K243 VanDerWaalsContact OH-CE 3.32Å; Y239-K243 WeakPolarHBondContact OH-CE 3.44Å; Y239-K243 PolarHBondContact OH-NZ 2.93Å |
| 240 | L | 75.8 | Confident | 64.6 | Low | 111 Ų | 111 | 122.3 Ų | 122.3 | 58% | 0.581 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -65.5 | -40.7 | 174 | -99.2 | 113.2 | 0 | 0 | 0 | 112.3 | S236 Q238 K243 L244 | S236-L240 WeakPolarHBondContact O-CD1 2.94Å; S236-L240 PolarHBondContact O-N 2.74Å; Q238-L240 PolarHBondContact O-N 3.33Å; L240-K243 PolarHBondContact O-N 3.37Å; L240-L244 WeakPolarHBondContact O-CB 3.45Å; L240-L244 PolarHBondContact O-N 2.93Å |
| 241 | R | 78.4 | Confident | 64.7 | Low | 162 Ų | 162 | 118.5 Ų | 118.5 | 61% | 0.611 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -63.8 | -41.8 | 176.5 | -169.4 | 178.4 | -174.8 | -140.5 | 1.6 | 111.5 | K237 Q238 L244 L245 | K237-R241 WeakPolarHBondContact O-CB 3.39Å; K237-R241 PolarHBondContact O-N 2.9Å; Q238-R241 PolarHBondContact O-N 3.11Å; R241-L244 PolarHBondContact O-N 3.4Å; R241-L245 HydrophobicContact CG-CD1 4.22Å; R241-L245 WeakPolarHBondContact O-CB 3.4Å; R241-L245 WeakPolarHBondContact O-CG 3.48Å; R241-L245 PolarHBondContact O-N 3.19Å |
| 242 | Q | 76.1 | Confident | 64.8 | Low | 138 Ų | 138 | 117.1 Ų | 117.1 | 65% | 0.645 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -63.5 | -43.4 | 175.7 | -167.8 | 173.2 | 17.9 | 0 | 0 | 111.3 | Q238 Y239 L244 L245 E246 | Q238-Q242 WeakPolarHBondContact O-CB 3.43Å; Q238-Q242 PolarHBondContact O-N 3.41Å; Y239-Q242 PolarHBondContact O-N 3.32Å; Q242-L244 VanDerWaalsContact C-N 3.33Å; Q242-L244 PolarHBondContact O-N 2.83Å; Q242-L245 PolarHBondContact O-N 3.45Å; Q242-E246 VanDerWaalsContact O-CB 3.29Å; Q242-E246 WeakPolarHBondContact O-CB 3.25Å; Q242-E246 PolarHBondContact O-N 2.83Å |
| 243 | K | 80.9 | Confident | 65.1 | Low | 104 Ų | 104 | 119.9 Ų | 119.9 | 45% | 0.452 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -67.2 | -28 | 174.2 | -98 | -172.6 | 166.8 | 172.7 | 0 | 114.9 | Y239 L240 K247 | Y239-K243 HydrophobicContact CE1-CD 3.93Å; Y239-K243 PolarHBondContact O-N 2.96Å; Y239-K243 VanDerWaalsContact OH-CE 3.32Å; Y239-K243 WeakPolarHBondContact OH-CE 3.44Å; Y239-K243 PolarHBondContact OH-NZ 2.93Å; L240-K243 PolarHBondContact O-N 3.37Å; K243-K247 PolarHBondContact O-N 3.15Å |
| 244 | L | 79.5 | Confident | 65.1 | Low | 97 Ų | 97 | 123.7 Ų | 123.7 | 51% | 0.508 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -72.9 | -43.8 | 172 | -88.5 | 157.5 | 0 | 0 | 0 | 111.1 | L240 R241 Q242 K247 Q248 | L240-L244 WeakPolarHBondContact O-CB 3.45Å; L240-L244 PolarHBondContact O-N 2.93Å; R241-L244 PolarHBondContact O-N 3.4Å; Q242-L244 VanDerWaalsContact C-N 3.33Å; Q242-L244 PolarHBondContact O-N 2.83Å; L244-K247 WeakPolarHBondContact O-CB 3.44Å; L244-K247 PolarHBondContact O-N 3.42Å; L244-Q248 WeakPolarHBondContact O-CG 3.44Å; L244-Q248 PolarHBondContact O-N 3.42Å |
| 245 | L | 77.6 | Confident | 65 | Low | 92 Ų | 92 | 122.9 Ų | 122.9 | 48% | 0.482 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -62.3 | -41.9 | 173.1 | -73.5 | 165.8 | 0 | 0 | 0 | 111.7 | R241 Q242 K247 Q248 A249 | R241-L245 HydrophobicContact CG-CD1 4.22Å; R241-L245 WeakPolarHBondContact O-CB 3.4Å; R241-L245 WeakPolarHBondContact O-CG 3.48Å; R241-L245 PolarHBondContact O-N 3.19Å; Q242-L245 PolarHBondContact O-N 3.45Å; L245-K247 VanDerWaalsContact C-N 3.26Å; L245-K247 PolarHBondContact O-N 3.04Å; L245-Q248 CarbonylContact O-C 3.57Å; L245-Q248 PolarHBondContact O-N 3.36Å; L245-Q248 VanDerWaalsContact O-N 3.08Å; L245-A249 WeakPolarHBondContact O-CB 3.43Å; L245-A249 PolarHBondContact O-N 2.93Å |
| 246 | E | 76.6 | Confident | 64.2 | Low | 129 Ų | 129 | 124.8 Ų | 124.8 | 60% | 0.603 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -65.2 | -28.3 | 175.9 | -170.3 | 179.4 | -139.5 | 0 | 0 | 112.7 | Q242 | Q242-E246 VanDerWaalsContact O-CB 3.29Å; Q242-E246 WeakPolarHBondContact O-CB 3.25Å; Q242-E246 PolarHBondContact O-N 2.83Å |
| 247 | K | 75.5 | Confident | 62.9 | Low | 173 Ų | 173 | 125.7 Ų | 125.7 | 75% | 0.752 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -76.7 | -31.5 | 169.3 | -88.5 | -169.9 | 169.1 | -167.1 | 0 | 113.8 | K243 L244 L245 | K243-K247 PolarHBondContact O-N 3.15Å; L244-K247 WeakPolarHBondContact O-CB 3.44Å; L244-K247 PolarHBondContact O-N 3.42Å; L245-K247 VanDerWaalsContact C-N 3.26Å; L245-K247 PolarHBondContact O-N 3.04Å |
| 248 | Q | 69.2 | Low | 61.4 | Low | 147 Ų | 147 | 126.2 Ų | 126.2 | 69% | 0.687 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -87.5 | -22.7 | -179.8 | -73.2 | 178 | -27.3 | 0 | 0 | 113.1 | L244 L245 R250 | L244-Q248 WeakPolarHBondContact O-CG 3.44Å; L244-Q248 PolarHBondContact O-N 3.42Å; L245-Q248 CarbonylContact O-C 3.57Å; L245-Q248 PolarHBondContact O-N 3.36Å; L245-Q248 VanDerWaalsContact O-N 3.08Å; Q248-R250 VanDerWaalsContact C-N 3.26Å; Q248-R250 PolarHBondContact O-N 2.76Å |
| 249 | A | 61.8 | Low | 59.9 | Low | 85 Ų | 85 | 128.3 Ų | 128.3 | 70% | 0.702 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -80.4 | -2.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | L245 S251 | L245-A249 WeakPolarHBondContact O-CB 3.43Å; L245-A249 PolarHBondContact O-N 2.93Å; A249-S251 PolarHBondContact O-N 2.94Å |
| 250 | R | 52 | Low | 58.3 | Low | 213 Ų | 213 | 131.5 Ų | 131.5 | 80% | 0.804 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -81.3 | 96.3 | 161.6 | -70.2 | -172.1 | 179.8 | -139.2 | -5.3 | 108.1 | Q248 | Q248-R250 VanDerWaalsContact C-N 3.26Å; Q248-R250 PolarHBondContact O-N 2.76Å |
| 251 | S | 45.2 | Very low | 56.4 | Low | 75 Ų | 75 | 131.8 Ų | 131.8 | 52% | 0.524 | 70% | 0.703 | S | S | . | * | trans | -61.6 | 149.5 | 171.1 | 58.4 | 0 | 0 | 0 | 0 | 110.9 | A249 D253 | A249-S251 PolarHBondContact O-N 2.94Å; S251-D253 VanDerWaalsContact C-N 3.33Å; S251-D253 VanDerWaalsContact CB-OD2 3.27Å; S251-D253 WeakPolarHBondContact CB-OD2 3.44Å; S251-D253 PolarHBondContact O-N 3.29Å; S251-D253 VanDerWaalsContact O-N 3.12Å; S251-D253 PolarHBondContact OG-OD2 3.03Å | ||
| 252 | P | 44.7 | Very low | 54.5 | Low | 127 Ų | 127 | 130.3 Ų | 130.3 | 83% | 0.825 | 71% | 0.712 | S | S | * | * | trans | -87.2 | 68.4 | -178.3 | 36.2 | -35.2 | 0 | 0 | 0 | 111.5 | ||||
| 253 | D | 46.2 | Very low | 52.8 | Low | 132 Ų | 132 | 128.6 Ų | 128.6 | 71% | 0.706 | 71% | 0.714 | S | S | * | * | trans | -101.2 | 47.4 | -179.4 | -66.9 | -61.2 | 0 | 0 | 0 | 113.5 | S251 | S251-D253 VanDerWaalsContact C-N 3.33Å; S251-D253 VanDerWaalsContact CB-OD2 3.27Å; S251-D253 WeakPolarHBondContact CB-OD2 3.44Å; S251-D253 PolarHBondContact O-N 3.29Å; S251-D253 VanDerWaalsContact O-N 3.12Å; S251-D253 PolarHBondContact OG-OD2 3.03Å | ||
| 254 | E | 43.8 | Very low | 50.8 | Low | 197 Ų | 197 | 130 Ų | 130 | 92% | 0.921 | 73% | 0.732 | S | S | * | * | trans | -134.7 | 75.5 | 156.8 | -78.2 | -164.5 | 161.3 | 0 | 0 | 109.4 | ||||
| 255 | A | 43.9 | Very low | 48.9 | Very low | 74 Ų | 74 | 130.8 Ų | 130.8 | 61% | 0.612 | 74% | 0.743 | S | S | * | * | trans | -86.1 | 154.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 256 | N | 40.7 | Very low | 46.7 | Very low | 168 Ų | 168 | 129.4 Ų | 129.4 | 90% | 0.898 | 75% | 0.751 | S | S | * | * | trans | 80.2 | 82.8 | 162.8 | -45.6 | -44.1 | 0 | 0 | 0 | 117.5 | ||||
| 257 | G | 40.6 | Very low | 44.8 | Very low | 74 Ų | 74 | 135.2 Ų | 135.2 | 76% | 0.763 | 77% | 0.768 | S | S | * | * | trans | -158.9 | 116.9 | 163.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 258 | A | 37.3 | Very low | 43 | Very low | 105 Ų | 105 | 131.5 Ų | 131.5 | 87% | 0.868 | 76% | 0.764 | S | S | * | * | trans | 62.7 | 74.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 259 | I | 36.9 | Very low | 41.2 | Very low | 161 Ų | 161 | 131.6 Ų | 131.6 | 83% | 0.826 | 77% | 0.769 | S | S | * | * | trans | -68.2 | 126.4 | 148.7 | -64.3 | 171.9 | 0 | 0 | 0 | 108.3 | V261 | I259-V261 HydrophobicContact CG2-CG2 3.98Š| ||
| 260 | K | 41.1 | Very low | 40.1 | Very low | 197 Ų | 197 | 135.1 Ų | 135.1 | 86% | 0.857 | 78% | 0.775 | S | S | * | * | trans | -141.4 | 92.3 | 159.8 | -153.3 | 172.5 | -171.6 | 178.5 | 0 | 111.2 | ||||
| 261 | V | 37.6 | Very low | 39.2 | Very low | 117 Ų | 117 | 131.8 Ų | 131.8 | 71% | 0.709 | 77% | 0.773 | S | S | * | * | trans | -76 | 126.9 | 174.2 | 178.7 | 0 | 0 | 0 | 0 | 109.3 | I259 | I259-V261 HydrophobicContact CG2-CG2 3.98Š| ||
| 262 | V | 38.5 | Very low | 38.8 | Very low | 132 Ų | 132 | 134.5 Ų | 134.5 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | trans | -138.6 | 124.3 | 156.1 | 179.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 263 | S | 39.2 | Very low | 38.5 | Very low | 101 Ų | 101 | 135 Ų | 135 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | trans | -75.7 | 150.9 | -173 | -50.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 264 | T | 38.7 | Very low | 38.1 | Very low | 135 Ų | 135 | 135.2 Ų | 135.2 | 83% | 0.828 | 77% | 0.772 | S | S | * | * | trans | -79.1 | 156 | 161.8 | 43.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 265 | P | 40 | Very low | 37.7 | Very low | 113 Ų | 113 | 133.5 Ų | 133.5 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | trans | -126.3 | 173.1 | 136 | 24 | -6.9 | 0 | 0 | 0 | 111.7 | ||||
| 266 | G | 31.8 | Very low | 37.5 | Very low | 63 Ų | 63 | 134.5 Ų | 134.5 | 65% | 0.649 | 77% | 0.766 | S | S | * | * | trans | -64.2 | -165.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 267 | W | 36.4 | Very low | 37.3 | Very low | 250 Ų | 250 | 133.6 Ų | 133.6 | 95% | 0.947 | 76% | 0.761 | S | S | * | * | -147.8 | 177.8 | 51.7 | -80.8 | 24.7 | 0 | 0 | 0 | 111.9 | |||||
| 268 | S | 37.5 | Very low | 37.3 | Very low | 96 Ų | 96 | 136 Ų | 136 | 67% | 0.671 | 76% | 0.76 | S | S | * | * | trans | -95.2 | 158.5 | -173.2 | 46.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 269 | N | 31.7 | Very low | 37.3 | Very low | 148 Ų | 148 | 137.1 Ų | 137.1 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | trans | 63.7 | 123.5 | 152.4 | -61.3 | -20 | 0 | 0 | 0 | 120.8 | ||||
| 270 | L | 37.6 | Very low | 37.1 | Very low | 159 Ų | 159 | 133.6 Ų | 133.6 | 83% | 0.832 | 75% | 0.751 | S | S | * | * | trans | 153.4 | 101.3 | 130.4 | -80.7 | 162.4 | 0 | 0 | 0 | 107.6 | ||||
| 271 | N | 34.1 | Very low | 36.9 | Very low | 143 Ų | 143 | 133.5 Ų | 133.5 | 77% | 0.765 | 75% | 0.754 | S | S | * | * | 67.4 | 141.3 | 81.6 | -126.9 | 10.2 | 0 | 0 | 0 | 115 | |||||
| 272 | I | 36.5 | Very low | 36.9 | Very low | 133 Ų | 133 | 132 Ų | 132 | 68% | 0.682 | 75% | 0.753 | S | S | * | * | trans | 94.3 | 121 | 151.4 | -67.5 | 165.4 | 0 | 0 | 0 | 120.5 | ||||
| 273 | I | 38.1 | Very low | 37.1 | Very low | 138 Ų | 138 | 132.6 Ų | 132.6 | 71% | 0.708 | 75% | 0.752 | S | S | * | * | trans | 94.2 | 107.7 | 151.6 | -73.1 | 164.9 | 0 | 0 | 0 | 123.1 | ||||
| 274 | Q | 37.9 | Very low | 37.2 | Very low | 136 Ų | 136 | 135.1 Ų | 135.1 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | trans | 41.4 | 140.5 | 132.1 | -58.7 | 175.9 | -96.5 | 0 | 0 | 125.4 | ||||
| 275 | E | 35.9 | Very low | 37.2 | Very low | 160 Ų | 160 | 132.2 Ų | 132.2 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | 53 | 144.4 | 129.4 | -66.3 | 156.2 | -137.3 | 0 | 0 | 120.6 | |||||
| 276 | S | 40.1 | Very low | 37.1 | Very low | 96 Ų | 96 | 135 Ų | 135 | 67% | 0.671 | 76% | 0.763 | S | S | * | * | cis | -172.7 | 160.1 | 14 | 37 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 277 | L | 36.8 | Very low | 37.8 | Very low | 149 Ų | 149 | 136.6 Ų | 136.6 | 78% | 0.78 | 76% | 0.761 | S | S | * | * | trans | 65.6 | 141.9 | 144.5 | -94 | 83.8 | 0 | 0 | 0 | 124.9 | ||||
| 278 | T | 39.4 | Very low | 38 | Very low | 123 Ų | 123 | 131.1 Ų | 131.1 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | trans | 70.6 | 159 | 149.4 | 61.6 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 279 | T | 36.8 | Very low | 38 | Very low | 129 Ų | 129 | 132.2 Ų | 132.2 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | cis | -161.5 | 157.3 | -31 | -85.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 280 | A | 32.8 | Very low | 38.3 | Very low | 87 Ų | 87 | 129.2 Ų | 129.2 | 72% | 0.719 | 75% | 0.754 | S | S | * | * | trans | -75 | 157.5 | -172.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 281 | H | 37.1 | Very low | 38.3 | Very low | 195 Ų | 195 | 128.1 Ų | 128.1 | 90% | 0.903 | 75% | 0.749 | S | S | * | * | trans | -142.7 | 143.6 | 155.2 | -101.9 | -79.4 | 0 | 0 | 0 | 110.8 | ||||
| 282 | A | 37 | Very low | 38.4 | Very low | 85 Ų | 85 | 128 Ų | 128 | 70% | 0.702 | 75% | 0.748 | S | S | * | * | trans | -118.4 | 160.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 283 | N | 42.7 | Very low | 38.5 | Very low | 145 Ų | 145 | 130.6 Ų | 130.6 | 78% | 0.775 | 76% | 0.757 | S | S | * | * | trans | -171.4 | 111.8 | 152.8 | -94.8 | -30.3 | 0 | 0 | 0 | 113.9 | ||||
| 284 | N | 42.8 | Very low | 38.5 | Very low | 155 Ų | 155 | 131.2 Ų | 131.2 | 83% | 0.829 | 76% | 0.761 | S | S | * | * | 43.5 | 135.9 | 126.7 | -50.5 | -27.3 | 0 | 0 | 0 | 123.5 | |||||
| 285 | G | 38.1 | Very low | 38.6 | Very low | 74 Ų | 74 | 131.4 Ų | 131.4 | 76% | 0.763 | 77% | 0.771 | S | S | * | * | trans | 155.6 | 123 | 155.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 286 | L | 37.2 | Very low | 38.7 | Very low | 171 Ų | 171 | 127.8 Ų | 127.8 | 90% | 0.895 | 77% | 0.769 | S | S | * | * | trans | -139.5 | -172.2 | -171.6 | -141.4 | 84 | 0 | 0 | 0 | 111.2 | ||||
| 287 | P | 47.6 | Very low | 38.7 | Very low | 96 Ų | 96 | 129.9 Ų | 129.9 | 62% | 0.623 | 77% | 0.772 | S | S | * | * | -128.8 | -143.4 | -103.2 | 46.4 | -28.8 | 0 | 0 | 0 | 115.2 | |||||
| 288 | T | 40.1 | Very low | 38.9 | Very low | 135 Ų | 135 | 129.7 Ų | 129.7 | 83% | 0.828 | 77% | 0.771 | S | S | * | * | trans | 89.9 | 150.6 | 172.1 | 76.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 289 | S | 37.6 | Very low | 39 | Very low | 119 Ų | 119 | 129.2 Ų | 129.2 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | cis | -151.6 | -177.2 | 4.8 | -156 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 290 | S | 38.5 | Very low | 39 | Very low | 86 Ų | 86 | 130.9 Ų | 130.9 | 60% | 0.601 | 77% | 0.773 | S | S | * | * | trans | -109.5 | 154.7 | -171.5 | 55.9 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 291 | N | 36.2 | Very low | 39.2 | Very low | 136 Ų | 136 | 134.2 Ų | 134.2 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | 164.8 | 134.7 | 123.8 | -88.1 | -45.3 | 0 | 0 | 0 | 117.6 | |||||
| 292 | L | 36.6 | Very low | 39.1 | Very low | 140 Ų | 140 | 128.5 Ų | 128.5 | 73% | 0.733 | 77% | 0.772 | S | S | * | * | trans | 48.7 | 130.7 | 135.8 | -59.3 | 168 | 0 | 0 | 0 | 124.2 | ||||
| 293 | H | 39.9 | Very low | 39 | Very low | 188 Ų | 188 | 132.6 Ų | 132.6 | 87% | 0.87 | 78% | 0.777 | S | S | * | * | -161.4 | 150.5 | 129 | -111.5 | 70.2 | 0 | 0 | 0 | 113.5 | |||||
| 294 | N | 36.6 | Very low | 38.8 | Very low | 151 Ų | 151 | 137 Ų | 137 | 81% | 0.807 | 78% | 0.782 | S | S | * | * | trans | -126.8 | 142.5 | -178.5 | -82.5 | -21.4 | 0 | 0 | 0 | 111.4 | ||||
| 295 | V | 40.4 | Very low | 38.4 | Very low | 139 Ų | 139 | 136.7 Ų | 136.7 | 84% | 0.842 | 78% | 0.781 | S | S | * | * | trans | -159 | 113.7 | 155.8 | -175.8 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 296 | A | 39.2 | Very low | 38.3 | Very low | 84 Ų | 84 | 138 Ų | 138 | 69% | 0.694 | 78% | 0.779 | S | S | * | * | 65.5 | 144.5 | 94.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 297 | D | 39.6 | Very low | 38.3 | Very low | 140 Ų | 140 | 136 Ų | 136 | 75% | 0.749 | 77% | 0.774 | S | S | * | * | cis | -167.1 | 175 | -1.7 | -137.3 | -32.7 | 0 | 0 | 0 | 115.6 | ||||
| 298 | I | 40.8 | Very low | 38.1 | Very low | 146 Ų | 146 | 140 Ų | 140 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | trans | 70.3 | 134.7 | 153.5 | -63.6 | 162 | 0 | 0 | 0 | 122.3 | ||||
| 299 | P | 40.5 | Very low | 38 | Very low | 112 Ų | 112 | 140.7 Ų | 140.7 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | -120.5 | 176.4 | -179 | 44.4 | -34.7 | 0 | 0 | 0 | 116.6 | ||||
| 300 | L | 38.2 | Very low | 38.1 | Very low | 164 Ų | 164 | 142.6 Ų | 142.6 | 86% | 0.859 | 78% | 0.783 | S | S | * | * | trans | -168.8 | 172.6 | 147.5 | -108.5 | 165.2 | 0 | 0 | 0 | 114.6 | ||||
| 301 | N | 36.1 | Very low | 38 | Very low | 158 Ų | 158 | 143.2 Ų | 143.2 | 85% | 0.845 | 79% | 0.787 | S | S | * | * | trans | -90.3 | 163.4 | -160.5 | -56.6 | -48.6 | 0 | 0 | 0 | 116.6 | ||||
| 302 | G | 35.9 | Very low | 38.1 | Very low | 74 Ų | 74 | 142.3 Ų | 142.3 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | trans | 139.1 | 106.9 | 140.7 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 303 | E | 34.1 | Very low | 38.3 | Very low | 172 Ų | 172 | 141.4 Ų | 141.4 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | 2.4 | 124.9 | 154.8 | -52.2 | 179.6 | 143.7 | 0 | 0 | 121.1 | ||||
| 304 | R | 37.8 | Very low | 38.2 | Very low | 236 Ų | 236 | 144.3 Ų | 144.3 | 89% | 0.891 | 80% | 0.795 | S | S | * | * | -179.9 | 171.2 | 111.6 | -100.7 | 166.5 | -108.8 | -167.3 | -7.1 | 114.2 | |||||
| 305 | N | 35.3 | Very low | 38.4 | Very low | 149 Ų | 149 | 142.4 Ų | 142.4 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | -79.7 | 166 | -169 | -68.7 | -30.2 | 0 | 0 | 0 | 115.1 | ||||
| 306 | S | 36.1 | Very low | 38.4 | Very low | 102 Ų | 102 | 141.5 Ų | 141.5 | 71% | 0.713 | 79% | 0.793 | S | S | * | * | trans | 75.6 | 132.5 | 149.5 | 44.3 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 307 | T | 36.5 | Very low | 38.5 | Very low | 129 Ų | 129 | 143.1 Ų | 143.1 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | trans | 74.9 | 141.5 | 149.9 | 44 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 308 | E | 44.3 | Very low | 38.6 | Very low | 180 Ų | 180 | 140.4 Ų | 140.4 | 84% | 0.841 | 79% | 0.791 | S | S | * | * | trans | 83.3 | 120.6 | 166.4 | -44.7 | -151.7 | 154.9 | 0 | 0 | 118.6 | ||||
| 309 | D | 37.9 | Very low | 38.3 | Very low | 149 Ų | 149 | 139 Ų | 139 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | 17.1 | 135.3 | 151.1 | -62.4 | -32.9 | 0 | 0 | 0 | 121.3 | ||||
| 310 | L | 39.7 | Very low | 38.3 | Very low | 160 Ų | 160 | 138.6 Ų | 138.6 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | -169.4 | 120 | 110.6 | -97.4 | 171.3 | 0 | 0 | 0 | 111.9 | |||||
| 311 | S | 37.3 | Very low | 38.4 | Very low | 98 Ų | 98 | 136.8 Ų | 136.8 | 69% | 0.685 | 78% | 0.781 | S | S | * | * | trans | 29.7 | 149.3 | 139.9 | 65.2 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 312 | S | 38.3 | Very low | 38.6 | Very low | 117 Ų | 117 | 136.8 Ų | 136.8 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | 73.4 | 132.7 | 165 | -102.1 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 313 | V | 39.2 | Very low | 38.6 | Very low | 122 Ų | 122 | 139.2 Ų | 139.2 | 74% | 0.739 | 78% | 0.779 | S | S | * | * | cis | -133.6 | 128 | 9.2 | -177.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 314 | R | 37.9 | Very low | 38.8 | Very low | 248 Ų | 248 | 133.8 Ų | 133.8 | 94% | 0.936 | 77% | 0.77 | S | S | * | * | trans | -134.6 | 76.9 | -179.6 | -142 | 178.6 | -175 | -132.5 | 0.2 | 111.7 | S316 | R314-S316 PolarHBondContact O-N 3.17Å; R314-S316 VanDerWaalsContact O-N 3.08Å | ||
| 315 | S | 41.4 | Very low | 38.7 | Very low | 112 Ų | 112 | 134.4 Ų | 134.4 | 78% | 0.783 | 77% | 0.772 | S | S | * | * | trans | -63.4 | 109.4 | 171.6 | -55.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 316 | S | 40.1 | Very low | 39.3 | Very low | 119 Ų | 119 | 132.8 Ų | 132.8 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | -62.5 | 134 | 169.3 | 40.7 | 0 | 0 | 0 | 0 | 110.6 | R314 | R314-S316 PolarHBondContact O-N 3.17Å; R314-S316 VanDerWaalsContact O-N 3.08Å | ||
| 317 | S | 41.1 | Very low | 39.9 | Very low | 119 Ų | 119 | 134.9 Ų | 134.9 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | trans | -136.7 | 112.3 | 161.9 | -178.3 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 318 | S | 41.5 | Very low | 40 | Very low | 82 Ų | 82 | 133.7 Ų | 133.7 | 57% | 0.573 | 77% | 0.774 | S | S | * | * | trans | -62.6 | 147.6 | -173.2 | -175.4 | 0 | 0 | 0 | 0 | 111.8 | D320 | S318-D320 VanDerWaalsContact C-N 3.31Å; S318-D320 WeakPolarHBondContact CB-OD2 3.38Å; S318-D320 PolarHBondContact O-N 3.24Å; S318-D320 PolarHBondContact OG-OD2 3.12Å | ||
| 319 | C | 35.8 | Very low | 40.3 | Very low | 116 Ų | 116 | 132.8 Ų | 132.8 | 78% | 0.784 | 77% | 0.767 | S | S | * | * | trans | -84.9 | 71.6 | 169.2 | 53 | 0 | 0 | 0 | 0 | 110.7 | T321 | C319-T321 PolarHBondContact O-N 3.33Š| ||
| 320 | D | 39.6 | Very low | 40.4 | Very low | 105 Ų | 105 | 133.7 Ų | 133.7 | 56% | 0.561 | 77% | 0.772 | S | S | * | * | trans | -76.1 | 116.2 | 175.4 | -72.3 | -53.6 | 0 | 0 | 0 | 111.7 | S318 H322 | S318-D320 VanDerWaalsContact C-N 3.31Å; S318-D320 WeakPolarHBondContact CB-OD2 3.38Å; S318-D320 PolarHBondContact O-N 3.24Å; S318-D320 PolarHBondContact OG-OD2 3.12Å; D320-H322 VanDerWaalsContact C-N 3.34Å; D320-H322 WeakPolarHBondContact CB-NE2 3.36Å; D320-H322 PolarHBondContact O-N 3.42Å | ||
| 321 | T | 39.5 | Very low | 40.6 | Very low | 125 Ų | 125 | 130 Ų | 130 | 77% | 0.767 | 77% | 0.765 | S | S | * | * | trans | -85.1 | 77.2 | -176.6 | -55.7 | 0 | 0 | 0 | 0 | 109.5 | C319 C323 | C319-T321 PolarHBondContact O-N 3.33Å; T321-C323 PolarHBondContact O-N 3.47Å | ||
| 322 | H | 40.8 | Very low | 40.9 | Very low | 158 Ų | 158 | 134.1 Ų | 134.1 | 73% | 0.731 | 78% | 0.776 | S | S | * | * | trans | -79.9 | 103.5 | 176.4 | -59.7 | -49.4 | 0 | 0 | 0 | 111.2 | D320 G324 | D320-H322 VanDerWaalsContact C-N 3.34Å; D320-H322 WeakPolarHBondContact CB-NE2 3.36Å; D320-H322 PolarHBondContact O-N 3.42Å; H322-G324 PolarHBondContact O-N 2.8Å | ||
| 323 | C | 36.6 | Very low | 41.6 | Very low | 125 Ų | 125 | 135.9 Ų | 135.9 | 85% | 0.845 | 78% | 0.775 | S | S | * | * | trans | -67.8 | 65 | 164.9 | -60 | 0 | 0 | 0 | 0 | 110.7 | T321 R325 | T321-C323 PolarHBondContact O-N 3.47Å; C323-R325 PolarHBondContact O-N 2.75Å | ||
| 324 | G | 37.9 | Very low | 42 | Very low | 59 Ų | 59 | 139 Ų | 139 | 61% | 0.608 | 78% | 0.778 | S | S | * | * | trans | -78.6 | 96.3 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | H322 S326 | H322-G324 PolarHBondContact O-N 2.8Å; G324-S326 PolarHBondContact O-N 2.78Å | ||
| 325 | R | 35.9 | Very low | 42.1 | Very low | 248 Ų | 248 | 139.5 Ų | 139.5 | 94% | 0.936 | 78% | 0.781 | S | S | * | * | trans | -68.8 | 73.8 | 172.1 | -170.4 | -174.3 | -170.1 | -152.3 | 3.8 | 111.3 | C323 Q327 | C323-R325 PolarHBondContact O-N 2.75Å; R325-Q327 PolarHBondContact O-N 2.95Å | ||
| 326 | S | 47.5 | Very low | 42.6 | Very low | 116 Ų | 116 | 139.3 Ų | 139.3 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | trans | -75.4 | 119.4 | 176.4 | -69 | 0 | 0 | 0 | 0 | 111.2 | G324 | G324-S326 PolarHBondContact O-N 2.78Š| ||
| 327 | Q | 48.2 | Very low | 43.2 | Very low | 146 Ų | 146 | 138.3 Ų | 138.3 | 68% | 0.682 | 77% | 0.765 | S | S | * | * | trans | -55.3 | 139.1 | -173.4 | -64.3 | 163.4 | -17.5 | 0 | 0 | 113 | R325 K329 | R325-Q327 PolarHBondContact O-N 2.95Å; Q327-K329 HydrophobicContact CB-CG 4.3Å; Q327-K329 PolarHBondContact O-N 3.47Å | ||
| 328 | A | 39 | Very low | 44.1 | Very low | 103 Ų | 103 | 138.9 Ų | 138.9 | 85% | 0.851 | 77% | 0.765 | S | S | * | * | trans | -64.1 | 100 | 163 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 329 | K | 50.3 | Low | 45 | Very low | 161 Ų | 161 | 140.4 Ų | 140.4 | 70% | 0.7 | 77% | 0.771 | S | S | * | * | trans | -103.3 | 120.7 | 169.3 | -64.7 | -173.6 | -178.6 | -176.7 | 0 | 107.7 | Q327 A331 | Q327-K329 HydrophobicContact CB-CG 4.3Å; Q327-K329 PolarHBondContact O-N 3.47Å; K329-A331 VanDerWaalsContact C-N 3.34Å; K329-A331 PolarHBondContact O-N 3.39Å | ||
| 330 | N | 39.8 | Very low | 45.8 | Very low | 168 Ų | 168 | 143 Ų | 143 | 90% | 0.898 | 77% | 0.772 | S | S | * | * | trans | -63.8 | 89.7 | -179.6 | -67.8 | -38.4 | 0 | 0 | 0 | 110.6 | M332 | N330-M332 PolarHBondContact O-N 2.86Š| ||
| 331 | A | 45.5 | Very low | 46.2 | Very low | 83 Ų | 83 | 148.5 Ų | 148.5 | 69% | 0.686 | 79% | 0.785 | S | S | * | * | trans | -84.8 | 93.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | K329 L333 | K329-A331 VanDerWaalsContact C-N 3.34Å; K329-A331 PolarHBondContact O-N 3.39Å; A331-L333 VanDerWaalsContact C-N 3.29Å; A331-L333 PolarHBondContact O-N 3.08Å | ||
| 332 | M | 42.5 | Very low | 46.8 | Very low | 185 Ų | 185 | 149.5 Ų | 149.5 | 91% | 0.911 | 79% | 0.785 | S | S | * | * | trans | -63.2 | 91.2 | 171.5 | -174.5 | 164.4 | 68.4 | 0 | 0 | 108.6 | N330 K334 | N330-M332 PolarHBondContact O-N 2.86Å; M332-K334 PolarHBondContact O-N 2.96Å | ||
| 333 | L | 53.6 | Low | 47.3 | Very low | 153 Ų | 153 | 147 Ų | 147 | 80% | 0.801 | 78% | 0.781 | S | S | * | * | trans | -65.4 | 101.2 | -178.8 | -83.4 | 163.9 | 0 | 0 | 0 | 109.2 | A331 W335 | A331-L333 VanDerWaalsContact C-N 3.29Å; A331-L333 PolarHBondContact O-N 3.08Å; L333-W335 PolarHBondContact O-N 3.1Å | ||
| 334 | K | 48.2 | Very low | 48.3 | Very low | 187 Ų | 187 | 151.7 Ų | 151.7 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | trans | -46.7 | 119 | 169.8 | -172.3 | 175.5 | -176.9 | 178.7 | 0 | 108.8 | M332 S336 | M332-K334 PolarHBondContact O-N 2.96Å; K334-S336 PolarHBondContact O-N 3.15Å | ||
| 335 | W | 39.7 | Very low | 49.3 | Very low | 260 Ų | 260 | 155.8 Ų | 155.8 | 99% | 0.985 | 79% | 0.785 | S | S | * | * | trans | -66.3 | 97.5 | 176.8 | -71.6 | 77.1 | 0 | 0 | 0 | 108.9 | L333 | L333-W335 PolarHBondContact O-N 3.1Š| ||
| 336 | S | 51.8 | Low | 50.8 | Low | 107 Ų | 107 | 147.7 Ų | 147.7 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | trans | -79.5 | 134.4 | 173.2 | -68 | 0 | 0 | 0 | 0 | 110.5 | K334 | K334-S336 PolarHBondContact O-N 3.15Š| ||
| 337 | D | 52.8 | Low | 52.3 | Low | 99 Ų | 99 | 146.6 Ų | 146.6 | 53% | 0.529 | 75% | 0.752 | S | S | . | * | trans | -12.7 | 119.5 | 172.8 | -161.8 | -28.9 | 0 | 0 | 0 | 117.8 | T339 | D337-T339 PolarHBondContact O-N 2.94Å; D337-T339 VanDerWaalsContact O-N 3.1Å; D337-T339 WeakPolarHBondContact OD1-CB 3.44Å; D337-T339 WeakPolarHBondContact OD1-CG2 3.33Å; D337-T339 PolarHBondContact OD1-N 2.86Å; D337-T339 PolarHBondContact OD1-OG1 2.67Å; D337-T339 PolarHBondContact OD2-OG1 3.4Å | ||
| 338 | P | 60.1 | Low | 53.9 | Low | 131 Ų | 131 | 146.4 Ų | 146.4 | 85% | 0.851 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | -10.4 | 174.7 | -21.6 | 33.4 | 0 | 0 | 0 | 115.9 | ||
| 339 | T | 60.7 | Low | 56 | Low | 114 Ų | 114 | 151.1 Ų | 151.1 | 70% | 0.699 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -16.5 | -173.4 | 64.6 | 0 | 0 | 0 | 0 | 114.4 | D337 R341 | D337-T339 PolarHBondContact O-N 2.94Å; D337-T339 VanDerWaalsContact O-N 3.1Å; D337-T339 WeakPolarHBondContact OD1-CB 3.44Å; D337-T339 WeakPolarHBondContact OD1-CG2 3.33Å; D337-T339 PolarHBondContact OD1-N 2.86Å; D337-T339 PolarHBondContact OD1-OG1 2.67Å; D337-T339 PolarHBondContact OD2-OG1 3.4Å; T339-R341 PolarHBondContact O-N 3.01Å; T339-R341 VanDerWaalsContact O-N 3.15Å |
| 340 | Q | 52.5 | Low | 57.7 | Low | 170 Ų | 170 | 147.3 Ų | 147.3 | 79% | 0.794 | 73% | 0.734 | S | S | * | * | trans | -81.8 | 92.7 | 166.5 | -69.5 | -155.5 | 0.4 | 0 | 0 | 110.5 | D342 | Q340-D342 VanDerWaalsContact C-N 3.27Å; Q340-D342 PolarHBondContact O-N 3.23Å | ||
| 341 | R | 46.5 | Very low | 59.8 | Low | 221 Ų | 221 | 141.6 Ų | 141.6 | 83% | 0.834 | 71% | 0.71 | S | S | * | * | trans | -63.4 | 93 | 162.4 | -93.5 | -170.3 | -82.4 | -165.7 | -5.1 | 108.7 | T339 V343 | T339-R341 PolarHBondContact O-N 3.01Å; T339-R341 VanDerWaalsContact O-N 3.15Å; R341-V343 PolarHBondContact O-N 3.39Å | ||
| 342 | D | 53.6 | Low | 61.8 | Low | 145 Ų | 145 | 139.7 Ų | 139.7 | 78% | 0.775 | 69% | 0.686 | S | S | * | * | trans | -53.6 | 105.3 | 176 | -162.3 | 14.9 | 0 | 0 | 0 | 109 | Q340 W344 | Q340-D342 VanDerWaalsContact C-N 3.27Å; Q340-D342 PolarHBondContact O-N 3.23Å; D342-W344 PolarHBondContact O-N 2.85Å | ||
| 343 | V | 51.3 | Low | 64.1 | Low | 106 Ų | 106 | 138.6 Ų | 138.6 | 64% | 0.642 | 67% | 0.672 | S | S | * | * | trans | -67 | 110 | -176.3 | 173.1 | 0 | 0 | 0 | 0 | 105.8 | R341 Q345 | R341-V343 PolarHBondContact O-N 3.39Å; V343-Q345 PolarHBondContact O-N 3.41Å | ||
| 344 | W | 56 | Low | 65.8 | Low | 224 Ų | 224 | 137.4 Ų | 137.4 | 85% | 0.848 | 66% | 0.657 | S | S | * | * | trans | -57.1 | 82.2 | 179.5 | -89.6 | 79.5 | 0 | 0 | 0 | 111.5 | D342 P346 | D342-W344 PolarHBondContact O-N 2.85Å; W344-P346 VanDerWaalsContact O-CD 3.26Å; W344-P346 WeakPolarHBondContact O-CD 3.4Å | ||
| 345 | Q | 59.5 | Low | 68 | Low | 145 Ų | 145 | 135.8 Ų | 135.8 | 68% | 0.678 | 65% | 0.646 | S | S | * | * | trans | -68.9 | 117.8 | 169.4 | -69.3 | -63.4 | -1.9 | 0 | 0 | 106.7 | V343 T347 | V343-Q345 PolarHBondContact O-N 3.41Å; Q345-T347 PolarHBondContact O-N 3.48Å | ||
| 346 | P | 67.5 | Low | 70.5 | Confident | 78 Ų | 78 | 130.6 Ų | 130.6 | 51% | 0.506 | 63% | 0.626 | S | S | . | * | trans | -65.1 | 98.1 | 177.4 | -18.5 | 33.1 | 0 | 0 | 0 | 108.7 | W344 Y350 | W344-P346 VanDerWaalsContact O-CD 3.26Å; W344-P346 WeakPolarHBondContact O-CD 3.4Å; P346-Y350 HydrophobicContact CB-CD1 3.89Å; P346-Y350 HydrophobicContact CB-CE1 4.27Å | ||
| 347 | T | 79.1 | Confident | 72.6 | Confident | 92 Ų | 92 | 130.3 Ų | 130.3 | 56% | 0.564 | 62% | 0.616 | S | S | * | * | trans | -52.6 | 145.7 | 173.1 | 56.7 | 0 | 0 | 0 | 0 | 109.8 | Q345 R349 Y350 A351 | Q345-T347 PolarHBondContact O-N 3.48Å; T347-R349 PolarHBondContact O-N 3.32Å; T347-Y350 CarbonylContact O-C 3.59Å; T347-Y350 WeakPolarHBondContact O-CA 3.46Å; T347-Y350 WeakPolarHBondContact O-CB 3.5Å; T347-Y350 PolarHBondContact O-N 2.9Å; T347-Y350 WeakPolarHBondContact OG1-CB 3.46Å; T347-Y350 PolarHBondContact OG1-N 3.24Å; T347-A351 PolarHBondContact O-N 3.31Å | ||
| 348 | D | 82.5 | Confident | 74.7 | Confident | 143 Ų | 143 | 129.9 Ų | 129.9 | 77% | 0.765 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -54.6 | -35.3 | -179.2 | -66 | -40.7 | 0 | 0 | 0 | 112 | Y350 A351 E352 | D348-Y350 VanDerWaalsContact C-N 3.31Å; D348-Y350 PolarHBondContact O-N 2.96Å; D348-A351 PolarHBondContact O-N 3.17Å; D348-E352 WeakPolarHBondContact O-CB 3.3Å; D348-E352 PolarHBondContact O-N 3.32Å |
| 349 | R | 83.1 | Confident | 76.2 | Confident | 201 Ų | 201 | 127.3 Ų | 127.3 | 76% | 0.758 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -60.6 | -35.2 | 173.2 | -165.8 | -179.8 | -171.5 | -164.3 | 5.6 | 113.3 | T347 R353 | T347-R349 PolarHBondContact O-N 3.32Å; R349-R353 VanDerWaalsContact O-CB 3.32Å; R349-R353 WeakPolarHBondContact O-CB 3.22Å; R349-R353 PolarHBondContact O-N 3.37Å |
| 350 | Y | 85.2 | Confident | 77.6 | Confident | 82 Ų | 82 | 124.3 Ų | 124.3 | 32% | 0.322 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -78.2 | -43.1 | 174 | 172.3 | -91.1 | 0 | 0 | 0 | 112 | P346 T347 D348 E352 R353 R354 | P346-Y350 HydrophobicContact CB-CD1 3.89Å; P346-Y350 HydrophobicContact CB-CE1 4.27Å; T347-Y350 CarbonylContact O-C 3.59Å; T347-Y350 WeakPolarHBondContact O-CA 3.46Å; T347-Y350 WeakPolarHBondContact O-CB 3.5Å; T347-Y350 PolarHBondContact O-N 2.9Å; T347-Y350 WeakPolarHBondContact OG1-CB 3.46Å; T347-Y350 PolarHBondContact OG1-N 3.24Å; D348-Y350 VanDerWaalsContact C-N 3.31Å; D348-Y350 PolarHBondContact O-N 2.96Å; Y350-E352 VanDerWaalsContact C-N 3.3Å; Y350-E352 PolarHBondContact O-N 2.74Å; Y350-R353 PolarHBondContact O-N 3.4Å; Y350-R354 HydrophobicContact CD1-CG 4.14Å; Y350-R354 HydrophobicContact CD2-CG 4.49Å; Y350-R354 HydrophobicContact CE1-CG 3.79Å; Y350-R354 HydrophobicContact CE2-CG 4.15Å; Y350-R354 WeakPolarHBondContact O-CB 3.26Å; Y350-R354 WeakPolarHBondContact O-CG 3.42Å; Y350-R354 PolarHBondContact O-N 3.1Å; Y350-R354 PolarHBondContact OH-NE 3.07Å; Y350-R354 VanDerWaalsContact OH-NE 3.13Å; Y350-R354 PolarHBondContact OH-NH2 3.47Å |
| 351 | A | 83.2 | Confident | 79.6 | Confident | 47 Ų | 47 | 117.9 Ų | 117.9 | 39% | 0.388 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -56.6 | -46.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | T347 D348 R354 R355 | T347-A351 PolarHBondContact O-N 3.31Å; D348-A351 PolarHBondContact O-N 3.17Å; A351-R354 WeakPolarHBondContact O-CB 3.23Å; A351-R354 PolarHBondContact O-N 3.35Å; A351-R355 PolarHBondContact O-N 3.44Å |
| 352 | E | 88.6 | Confident | 81.9 | Confident | 43 Ų | 43 | 114.9 Ų | 114.9 | 20% | 0.201 | 55% | 0.547 | C | S | . | . | H | α-helix | trans | -66.8 | -40 | 177.5 | 178 | 57.1 | -167.6 | 0 | 0 | 112.8 | D348 Y350 R354 R355 R356 | D348-E352 WeakPolarHBondContact O-CB 3.3Å; D348-E352 PolarHBondContact O-N 3.32Å; Y350-E352 VanDerWaalsContact C-N 3.3Å; Y350-E352 PolarHBondContact O-N 2.74Å; E352-R354 VanDerWaalsContact C-N 3.31Å; E352-R354 PolarHBondContact O-N 3Å; E352-R355 WeakPolarHBondContact O-CB 3.27Å; E352-R355 PolarHBondContact O-N 2.9Å; E352-R355 IonicContact OE1-CZ 2.96Å; E352-R355 IonicContact OE1-NE 3.6Å; E352-R355 IonicContact OE1-NH2 2.93Å; E352-R355 PolarHBondContact OE1-NH2 3.25Å; E352-R355 IonicContact OE2-CZ 2.8Å; E352-R355 IonicContact OE2-NE 2.95Å; E352-R355 PolarHBondContact OE2-NE 3.2Å; E352-R355 IonicContact OE2-NH2 2.75Å; E352-R355 PolarHBondContact OE2-NH2 3.15Å; E352-R356 VanDerWaalsContact CG-CZ 3.43Å; E352-R356 WeakPolarHBondContact O-CG 3.48Å; E352-R356 PolarHBondContact O-N 2.9Å; E352-R356 IonicContact OE1-CZ 3.72Å; E352-R356 IonicContact OE1-NE 2.76Å; E352-R356 PolarHBondContact OE1-NE 3.11Å; E352-R356 IonicContact OE1-NH2 3.36Å; E352-R356 PolarHBondContact OE1-NH2 3.38Å |
| 353 | R | 90.1 | Very high | 83.4 | Confident | 162 Ų | 162 | 115.6 Ų | 115.6 | 61% | 0.611 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -61.3 | -40.2 | 172.6 | -173.4 | -173.2 | -63.7 | -111.4 | 5.5 | 111.4 | R349 Y350 N357 | R349-R353 VanDerWaalsContact O-CB 3.32Å; R349-R353 WeakPolarHBondContact O-CB 3.22Å; R349-R353 PolarHBondContact O-N 3.37Å; Y350-R353 PolarHBondContact O-N 3.4Å; R353-N357 WeakPolarHBondContact O-CB 3.36Å; R353-N357 PolarHBondContact O-N 3.27Å |
| 354 | R | 90.4 | Very high | 85.2 | Confident | 129 Ų | 129 | 114 Ų | 114 | 49% | 0.487 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.6 | -40.2 | 175.1 | -73.6 | -65 | -166.7 | 132.6 | -1.6 | 111.8 | Y350 A351 E352 N357 N358 | Y350-R354 HydrophobicContact CD1-CG 4.14Å; Y350-R354 HydrophobicContact CD2-CG 4.49Å; Y350-R354 HydrophobicContact CE1-CG 3.79Å; Y350-R354 HydrophobicContact CE2-CG 4.15Å; Y350-R354 WeakPolarHBondContact O-CB 3.26Å; Y350-R354 WeakPolarHBondContact O-CG 3.42Å; Y350-R354 PolarHBondContact O-N 3.1Å; Y350-R354 PolarHBondContact OH-NE 3.07Å; Y350-R354 VanDerWaalsContact OH-NE 3.13Å; Y350-R354 PolarHBondContact OH-NH2 3.47Å; A351-R354 WeakPolarHBondContact O-CB 3.23Å; A351-R354 PolarHBondContact O-N 3.35Å; E352-R354 VanDerWaalsContact C-N 3.31Å; E352-R354 PolarHBondContact O-N 3Å; R354-N357 PolarHBondContact O-N 2.84Å; R354-N358 WeakPolarHBondContact O-CB 3.23Å; R354-N358 VanDerWaalsContact O-CG 3.24Å; R354-N358 PolarHBondContact O-N 3.43Å; R354-N358 PolarHBondContact O-ND2 3.36Å |
| 355 | R | 93 | Very high | 86.8 | Confident | 152 Ų | 152 | 111.5 Ų | 111.5 | 57% | 0.574 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -54.9 | -56.6 | 173.3 | -172.1 | 176.9 | 72.7 | 145.4 | 2.6 | 110.6 | A351 E352 N357 N358 E359 | A351-R355 PolarHBondContact O-N 3.44Å; E352-R355 WeakPolarHBondContact O-CB 3.27Å; E352-R355 PolarHBondContact O-N 2.9Å; E352-R355 IonicContact OE1-CZ 2.96Å; E352-R355 IonicContact OE1-NE 3.6Å; E352-R355 IonicContact OE1-NH2 2.93Å; E352-R355 PolarHBondContact OE1-NH2 3.25Å; E352-R355 IonicContact OE2-CZ 2.8Å; E352-R355 IonicContact OE2-NE 2.95Å; E352-R355 PolarHBondContact OE2-NE 3.2Å; E352-R355 IonicContact OE2-NH2 2.75Å; E352-R355 PolarHBondContact OE2-NH2 3.15Å; R355-N357 PolarHBondContact O-N 2.98Å; R355-N358 PolarHBondContact O-N 3.32Å; R355-E359 WeakPolarHBondContact O-CB 3.32Å; R355-E359 PolarHBondContact O-N 3.42Å |
| 356 | R | 93.2 | Very high | 88.2 | Confident | 152 Ų | 152 | 107 Ų | 107 | 57% | 0.574 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61 | -39.9 | 179.7 | -65.2 | 178.1 | -162.4 | 150.4 | 1.8 | 113.1 | E352 E359 A360 | E352-R356 VanDerWaalsContact CG-CZ 3.43Å; E352-R356 WeakPolarHBondContact O-CG 3.48Å; E352-R356 PolarHBondContact O-N 2.9Å; E352-R356 IonicContact OE1-CZ 3.72Å; E352-R356 IonicContact OE1-NE 2.76Å; E352-R356 PolarHBondContact OE1-NE 3.11Å; E352-R356 IonicContact OE1-NH2 3.36Å; E352-R356 PolarHBondContact OE1-NH2 3.38Å; R356-E359 PolarHBondContact O-N 2.85Å; R356-A360 VanDerWaalsContact O-CB 3.3Å; R356-A360 WeakPolarHBondContact O-CB 3.47Å; R356-A360 PolarHBondContact O-N 3.5Å |
| 357 | N | 96.2 | Very high | 89.3 | Confident | 101 Ų | 101 | 108.7 Ų | 108.7 | 54% | 0.54 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.7 | -40.5 | 177.5 | -175.1 | -105.7 | 0 | 0 | 0 | 112.4 | R353 R354 R355 E359 A360 A361 | R353-N357 WeakPolarHBondContact O-CB 3.36Å; R353-N357 PolarHBondContact O-N 3.27Å; R354-N357 PolarHBondContact O-N 2.84Å; R355-N357 PolarHBondContact O-N 2.98Å; N357-E359 VanDerWaalsContact C-N 3.33Å; N357-A360 PolarHBondContact O-N 3.4Å; N357-A361 VanDerWaalsContact O-CB 3.26Å; N357-A361 WeakPolarHBondContact O-CB 3.22Å; N357-A361 PolarHBondContact O-N 3.04Å |
| 358 | N | 95.9 | Very high | 89.8 | Confident | 90 Ų | 90 | 110.8 Ų | 110.8 | 48% | 0.481 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.8 | -39.8 | 174.4 | -73.8 | -20.2 | 0 | 0 | 0 | 111.6 | R354 R355 A361 K362 | R354-N358 WeakPolarHBondContact O-CB 3.23Å; R354-N358 VanDerWaalsContact O-CG 3.24Å; R354-N358 PolarHBondContact O-N 3.43Å; R354-N358 PolarHBondContact O-ND2 3.36Å; R355-N358 PolarHBondContact O-N 3.32Å; N358-A361 PolarHBondContact O-N 3.38Å; N358-K362 WeakPolarHBondContact O-CG 3.47Å; N358-K362 PolarHBondContact O-N 2.87Å |
| 359 | E | 91.8 | Very high | 90.1 | Very high | 76 Ų | 76 | 111.1 Ų | 111.1 | 36% | 0.355 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.5 | -46.4 | 176.5 | -161.4 | -169.8 | 151.6 | 0 | 0 | 111.9 | R355 R356 N357 A361 K362 R363 | R355-E359 WeakPolarHBondContact O-CB 3.32Å; R355-E359 PolarHBondContact O-N 3.42Å; R356-E359 PolarHBondContact O-N 2.85Å; N357-E359 VanDerWaalsContact C-N 3.33Å; E359-A361 VanDerWaalsContact C-N 3.31Å; E359-A361 PolarHBondContact O-N 3.23Å; E359-K362 WeakPolarHBondContact O-CB 3.48Å; E359-K362 PolarHBondContact O-N 2.93Å; E359-R363 VanDerWaalsContact CD-NH1 3.33Å; E359-R363 PolarHBondContact O-N 2.91Å; E359-R363 IonicContact OE1-CZ 2.69Å; E359-R363 IonicContact OE1-NH1 3.13Å; E359-R363 PolarHBondContact OE1-NH1 2.95Å; E359-R363 IonicContact OE1-NH2 3.34Å; E359-R363 PolarHBondContact OE1-NH2 3.34Å |
| 360 | A | 91 | Very high | 90.4 | Very high | 52 Ų | 52 | 103.8 Ų | 103.8 | 43% | 0.43 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61 | -38.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112 | R356 N357 R363 C364 | R356-A360 VanDerWaalsContact O-CB 3.3Å; R356-A360 WeakPolarHBondContact O-CB 3.47Å; R356-A360 PolarHBondContact O-N 3.5Å; N357-A360 PolarHBondContact O-N 3.4Å; A360-R363 PolarHBondContact O-N 3.34Å; A360-C364 VanDerWaalsContact O-CB 3.22Å; A360-C364 WeakPolarHBondContact O-CB 3.43Å; A360-C364 PolarHBondContact O-N 3.26Å |
| 361 | A | 94.3 | Very high | 90.4 | Very high | 35 Ų | 35 | 103.7 Ų | 103.7 | 29% | 0.289 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.1 | -37.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | N357 N358 E359 R365 | N357-A361 VanDerWaalsContact O-CB 3.26Å; N357-A361 WeakPolarHBondContact O-CB 3.22Å; N357-A361 PolarHBondContact O-N 3.04Å; N358-A361 PolarHBondContact O-N 3.38Å; E359-A361 VanDerWaalsContact C-N 3.31Å; E359-A361 PolarHBondContact O-N 3.23Å; A361-R365 WeakPolarHBondContact O-CB 3.42Å; A361-R365 VanDerWaalsContact O-CG 3.23Å; A361-R365 WeakPolarHBondContact O-CG 3.44Å; A361-R365 PolarHBondContact O-N 3.13Å |
| 362 | K | 93.7 | Very high | 90.6 | Very high | 158 Ų | 158 | 108.3 Ų | 108.3 | 69% | 0.687 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.4 | -50.5 | 170.7 | -75.7 | 175.4 | 178.7 | -176.3 | 0 | 110.7 | N358 E359 R365 A366 | N358-K362 WeakPolarHBondContact O-CG 3.47Å; N358-K362 PolarHBondContact O-N 2.87Å; E359-K362 WeakPolarHBondContact O-CB 3.48Å; E359-K362 PolarHBondContact O-N 2.93Å; K362-R365 PolarHBondContact O-N 2.98Å; K362-A366 PolarHBondContact O-N 2.96Å |
| 363 | R | 86.7 | Confident | 90.2 | Very high | 159 Ų | 159 | 111.5 Ų | 111.5 | 60% | 0.6 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.2 | -45.3 | 177.2 | -71.4 | -166.7 | -179.5 | 93.9 | 10.7 | 112.6 | E359 A360 R365 A366 N367 | E359-R363 VanDerWaalsContact CD-NH1 3.33Å; E359-R363 PolarHBondContact O-N 2.91Å; E359-R363 IonicContact OE1-CZ 2.69Å; E359-R363 IonicContact OE1-NH1 3.13Å; E359-R363 PolarHBondContact OE1-NH1 2.95Å; E359-R363 IonicContact OE1-NH2 3.34Å; E359-R363 PolarHBondContact OE1-NH2 3.34Å; A360-R363 PolarHBondContact O-N 3.34Å; R363-R365 VanDerWaalsContact C-N 3.35Å; R363-R365 PolarHBondContact O-N 3.06Å; R363-A366 PolarHBondContact O-N 3.23Å; R363-A366 VanDerWaalsContact O-N 3.15Å; R363-N367 WeakPolarHBondContact O-CB 3.37Å; R363-N367 PolarHBondContact O-N 3.07Å |
| 364 | C | 88.7 | Confident | 90 | Very high | 74 Ų | 74 | 107.3 Ų | 107.3 | 50% | 0.5 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.5 | -42.5 | 176.5 | 177.1 | 0 | 0 | 0 | 0 | 112.2 | A360 R368 | A360-C364 VanDerWaalsContact O-CB 3.22Å; A360-C364 WeakPolarHBondContact O-CB 3.43Å; A360-C364 PolarHBondContact O-N 3.26Å; C364-R368 WeakPolarHBondContact O-CB 3.46Å; C364-R368 PolarHBondContact O-N 2.91Å |
| 365 | R | 89.5 | Confident | 89.8 | Confident | 170 Ų | 170 | 105.4 Ų | 105.4 | 64% | 0.642 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66 | -38.8 | 174.1 | -71.6 | 171.1 | -176 | -168.4 | 1.8 | 112.3 | A361 K362 R363 R369 | A361-R365 WeakPolarHBondContact O-CB 3.42Å; A361-R365 VanDerWaalsContact O-CG 3.23Å; A361-R365 WeakPolarHBondContact O-CG 3.44Å; A361-R365 PolarHBondContact O-N 3.13Å; K362-R365 PolarHBondContact O-N 2.98Å; R363-R365 VanDerWaalsContact C-N 3.35Å; R363-R365 PolarHBondContact O-N 3.06Å; R365-R369 WeakPolarHBondContact O-CG 3.3Å; R365-R369 PolarHBondContact O-N 3.28Å |
| 366 | A | 89.4 | Confident | 89.7 | Confident | 50 Ų | 50 | 105.3 Ų | 105.3 | 41% | 0.413 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.1 | -50.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | K362 R363 R368 R369 A370 | K362-A366 PolarHBondContact O-N 2.96Å; R363-A366 PolarHBondContact O-N 3.23Å; R363-A366 VanDerWaalsContact O-N 3.15Å; A366-R368 VanDerWaalsContact C-N 3.32Å; A366-R368 PolarHBondContact O-N 2.92Å; A366-R369 PolarHBondContact O-N 3.44Å; A366-A370 PolarHBondContact O-N 3.07Å |
| 367 | N | 89.7 | Confident | 89.5 | Confident | 115 Ų | 115 | 104.8 Ų | 104.8 | 62% | 0.615 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -56 | -45.2 | 175.6 | 177.2 | -61.4 | 0 | 0 | 0 | 111.1 | R363 R369 A370 L371 | R363-N367 WeakPolarHBondContact O-CB 3.37Å; R363-N367 PolarHBondContact O-N 3.07Å; N367-R369 VanDerWaalsContact C-N 3.33Å; N367-R369 PolarHBondContact O-N 3.48Å; N367-A370 PolarHBondContact O-N 2.75Å; N367-L371 WeakPolarHBondContact O-CB 3.36Å; N367-L371 PolarHBondContact O-N 2.91Å |
| 368 | R | 89.3 | Confident | 89.2 | Confident | 135 Ų | 135 | 104.9 Ų | 104.9 | 51% | 0.509 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -57.7 | -41.2 | 175.2 | -178 | -179.7 | -64.9 | -166.4 | -0.3 | 113 | C364 A366 Y372 | C364-R368 WeakPolarHBondContact O-CB 3.46Å; C364-R368 PolarHBondContact O-N 2.91Å; A366-R368 VanDerWaalsContact C-N 3.32Å; A366-R368 PolarHBondContact O-N 2.92Å; R368-Y372 HydrophobicContact CG-CD2 3.83Å; R368-Y372 HydrophobicContact CG-CE2 3.44Å; R368-Y372 VanDerWaalsContact CG-CE2 3.44Å; R368-Y372 WeakPolarHBondContact O-CD2 3.24Å; R368-Y372 PolarHBondContact O-N 3.07Å; R368-Y372 VanDerWaalsContact O-N 3.13Å |
| 369 | R | 89.3 | Confident | 88.9 | Confident | 150 Ų | 150 | 104 Ų | 104 | 57% | 0.566 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65.9 | -48.9 | 176 | -70.1 | -177.8 | -163.2 | 115.7 | -9.4 | 111.1 | R365 A366 N367 L371 Y372 E373 | R365-R369 WeakPolarHBondContact O-CG 3.3Å; R365-R369 PolarHBondContact O-N 3.28Å; A366-R369 PolarHBondContact O-N 3.44Å; N367-R369 VanDerWaalsContact C-N 3.33Å; N367-R369 PolarHBondContact O-N 3.48Å; R369-L371 VanDerWaalsContact C-N 3.29Å; R369-L371 PolarHBondContact O-N 2.77Å; R369-Y372 PolarHBondContact O-N 3.08Å; R369-Y372 VanDerWaalsContact O-N 3.08Å; R369-E373 WeakPolarHBondContact O-CG 3.32Å; R369-E373 PolarHBondContact O-N 3.47Å |
| 370 | A | 88.6 | Confident | 88.9 | Confident | 48 Ų | 48 | 103 Ų | 103 | 40% | 0.397 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -57.5 | -40.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A366 N367 E373 S374 | A366-A370 PolarHBondContact O-N 3.07Å; N367-A370 PolarHBondContact O-N 2.75Å; A370-E373 PolarHBondContact O-N 3.3Å; A370-S374 WeakPolarHBondContact O-CB 3.28Å; A370-S374 PolarHBondContact O-N 3.36Å; A370-S374 PolarHBondContact O-OG 3.29Å |
| 371 | L | 84.8 | Confident | 88.9 | Confident | 80 Ų | 80 | 104.4 Ų | 104.4 | 42% | 0.419 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.4 | -43.5 | 174.9 | -176.7 | 64.4 | 0 | 0 | 0 | 112.1 | N367 R369 S374 R375 | N367-L371 WeakPolarHBondContact O-CB 3.36Å; N367-L371 PolarHBondContact O-N 2.91Å; R369-L371 VanDerWaalsContact C-N 3.29Å; R369-L371 PolarHBondContact O-N 2.77Å; L371-S374 PolarHBondContact O-N 3.45Å; L371-R375 HydrophobicContact CD1-CG 4.5Å; L371-R375 WeakPolarHBondContact O-CB 3.4Å; L371-R375 WeakPolarHBondContact O-CG 3.28Å; L371-R375 PolarHBondContact O-N 2.89Å |
| 372 | Y | 87.3 | Confident | 88.6 | Confident | 143 Ų | 143 | 104.9 Ų | 104.9 | 56% | 0.561 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -65.6 | -40.8 | 175.2 | -74.9 | -52.5 | 0 | 0 | 0 | 112.4 | R368 R369 R375 Y376 | R368-Y372 HydrophobicContact CG-CD2 3.83Å; R368-Y372 HydrophobicContact CG-CE2 3.44Å; R368-Y372 VanDerWaalsContact CG-CE2 3.44Å; R368-Y372 WeakPolarHBondContact O-CD2 3.24Å; R368-Y372 PolarHBondContact O-N 3.07Å; R368-Y372 VanDerWaalsContact O-N 3.13Å; R369-Y372 PolarHBondContact O-N 3.08Å; R369-Y372 VanDerWaalsContact O-N 3.08Å; Y372-R375 PolarHBondContact O-N 3.44Å; Y372-Y376 VanDerWaalsContact O-CB 3.23Å; Y372-Y376 WeakPolarHBondContact O-CB 3.36Å; Y372-Y376 PolarHBondContact O-N 2.82Å |
| 373 | E | 82.1 | Confident | 88.5 | Confident | 110 Ų | 110 | 103 Ų | 103 | 51% | 0.514 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.3 | -42.3 | 175.6 | -72.8 | 167.6 | -151 | 0 | 0 | 111.7 | R369 A370 Y376 K377 | R369-E373 WeakPolarHBondContact O-CG 3.32Å; R369-E373 PolarHBondContact O-N 3.47Å; A370-E373 PolarHBondContact O-N 3.3Å; E373-Y376 PolarHBondContact O-N 3.13Å; E373-K377 WeakPolarHBondContact O-CB 3.32Å; E373-K377 WeakPolarHBondContact O-CG 3.24Å; E373-K377 PolarHBondContact O-N 3.15Å |
| 374 | S | 84 | Confident | 88.9 | Confident | 74 Ų | 74 | 102.9 Ų | 102.9 | 52% | 0.517 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.4 | -45.5 | 175.3 | -64.4 | 0 | 0 | 0 | 0 | 112.3 | A370 L371 Y376 K377 R378 | A370-S374 WeakPolarHBondContact O-CB 3.28Å; A370-S374 PolarHBondContact O-N 3.36Å; A370-S374 PolarHBondContact O-OG 3.29Å; L371-S374 PolarHBondContact O-N 3.45Å; S374-Y376 VanDerWaalsContact C-N 3.32Å; S374-Y376 PolarHBondContact O-N 2.85Å; S374-K377 PolarHBondContact O-N 3.19Å; S374-R378 PolarHBondContact O-N 3.42Å |
| 375 | R | 87.8 | Confident | 89.1 | Confident | 89 Ų | 89 | 102 Ų | 102 | 34% | 0.336 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -59 | -43.5 | 173.6 | -74.6 | -176.7 | -178.8 | -174 | 4.3 | 110.8 | D78 L371 Y372 R378 V379 | D78-R375 IonicContact OD1-CZ 3.02Å; D78-R375 IonicContact OD1-NH1 2.69Å; D78-R375 PolarHBondContact OD1-NH1 2.86Å; D78-R375 IonicContact OD1-NH2 2.73Å; D78-R375 PolarHBondContact OD1-NH2 2.88Å; L371-R375 HydrophobicContact CD1-CG 4.5Å; L371-R375 WeakPolarHBondContact O-CB 3.4Å; L371-R375 WeakPolarHBondContact O-CG 3.28Å; L371-R375 PolarHBondContact O-N 2.89Å; Y372-R375 PolarHBondContact O-N 3.44Å; R375-R378 PolarHBondContact O-N 3.48Å; R375-V379 WeakPolarHBondContact O-CG2 3.35Å; R375-V379 PolarHBondContact O-N 3.05Å |
| 376 | Y | 89.9 | Confident | 89.2 | Confident | 151 Ų | 151 | 97.8 Ų | 97.8 | 59% | 0.592 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -63.6 | -44.3 | 177.5 | -178.5 | -108 | 0 | 0 | 0 | 112.9 | Y372 E373 S374 R378 V379 Q380 | Y372-Y376 VanDerWaalsContact O-CB 3.23Å; Y372-Y376 WeakPolarHBondContact O-CB 3.36Å; Y372-Y376 PolarHBondContact O-N 2.82Å; E373-Y376 PolarHBondContact O-N 3.13Å; S374-Y376 VanDerWaalsContact C-N 3.32Å; S374-Y376 PolarHBondContact O-N 2.85Å; Y376-R378 PolarHBondContact O-N 2.98Å; Y376-V379 PolarHBondContact O-N 2.79Å; Y376-Q380 HydrophobicContact CE1-CG 4.43Å; Y376-Q380 VanDerWaalsContact CZ-NE2 3.31Å; Y376-Q380 PolarHBondContact O-N 2.87Å; Y376-Q380 PolarHBondContact OH-NE2 2.79Å; Y376-Q380 VanDerWaalsContact OH-NE2 3.08Å |
| 377 | K | 88.5 | Confident | 89.4 | Confident | 141 Ų | 141 | 98.3 Ų | 98.3 | 61% | 0.613 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -61.1 | -42 | 174 | -75.4 | 175.3 | -179.2 | 178.8 | 0 | 112.1 | E373 S374 Q380 Q381 | E373-K377 WeakPolarHBondContact O-CB 3.32Å; E373-K377 WeakPolarHBondContact O-CG 3.24Å; E373-K377 PolarHBondContact O-N 3.15Å; S374-K377 PolarHBondContact O-N 3.19Å; K377-Q380 PolarHBondContact O-N 3.07Å; K377-Q381 PolarHBondContact O-N 3.19Å |
| 378 | R | 90.9 | Very high | 89.8 | Confident | 103 Ų | 103 | 100.5 Ų | 100.5 | 39% | 0.389 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -66.1 | -38.9 | 177.4 | -175.9 | 57.8 | 177.1 | 150.7 | 5.5 | 112.1 | S374 R375 Y376 Q381 L382 E385 | S374-R378 PolarHBondContact O-N 3.42Å; R375-R378 PolarHBondContact O-N 3.48Å; Y376-R378 PolarHBondContact O-N 2.98Å; R378-Q381 PolarHBondContact O-N 3.43Å; R378-L382 HydrophobicContact CG-CD1 4.14Å; R378-L382 HydrophobicContact CG-CG 4.49Å; R378-L382 WeakPolarHBondContact O-CB 3.32Å; R378-L382 WeakPolarHBondContact O-CG 3.37Å; R378-L382 PolarHBondContact O-N 3.24Å; R378-E385 IonicContact NH1-OE2 2.7Å |
| 379 | V | 89.4 | Confident | 90 | Very high | 72 Ų | 72 | 97.3 Ų | 97.3 | 44% | 0.436 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -59.4 | -50.5 | 172.6 | 169.8 | 0 | 0 | 0 | 0 | 110.7 | R375 Y376 Q381 L382 E383 | R375-V379 WeakPolarHBondContact O-CG2 3.35Å; R375-V379 PolarHBondContact O-N 3.05Å; Y376-V379 PolarHBondContact O-N 2.79Å; V379-Q381 VanDerWaalsContact C-N 3.26Å; V379-Q381 PolarHBondContact O-N 2.73Å; V379-L382 PolarHBondContact O-N 3.25Å; V379-E383 HydrophobicContact CG1-CG 4.35Å; V379-E383 WeakPolarHBondContact O-CG 3.24Å; V379-E383 PolarHBondContact O-N 3.4Å |
| 380 | Q | 91.9 | Very high | 90.2 | Very high | 53 Ų | 53 | 97.3 Ų | 97.3 | 25% | 0.248 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -60 | -34.5 | 176.2 | -69.4 | -168 | 0.4 | 0 | 0 | 113.5 | Y376 K377 R384 | Y376-Q380 HydrophobicContact CE1-CG 4.43Å; Y376-Q380 VanDerWaalsContact CZ-NE2 3.31Å; Y376-Q380 PolarHBondContact O-N 2.87Å; Y376-Q380 PolarHBondContact OH-NE2 2.79Å; Y376-Q380 VanDerWaalsContact OH-NE2 3.08Å; K377-Q380 PolarHBondContact O-N 3.07Å; Q380-R384 WeakPolarHBondContact O-CG 3.43Å; Q380-R384 PolarHBondContact O-N 3.49Å; Q380-R384 PolarHBondContact O-NH1 2.72Å |
| 381 | Q | 91.6 | Very high | 90.6 | Very high | 83 Ų | 83 | 97.6 Ų | 97.6 | 39% | 0.388 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -66.3 | -49 | 175.7 | -175.7 | -172.2 | 1.9 | 0 | 0 | 110.7 | K377 R378 V379 E383 R384 E385 | K377-Q381 PolarHBondContact O-N 3.19Å; R378-Q381 PolarHBondContact O-N 3.43Å; V379-Q381 VanDerWaalsContact C-N 3.26Å; V379-Q381 PolarHBondContact O-N 2.73Å; Q381-E383 VanDerWaalsContact C-N 3.3Å; Q381-E383 PolarHBondContact O-N 2.86Å; Q381-R384 PolarHBondContact O-N 3.04Å; Q381-R384 VanDerWaalsContact O-N 3.15Å; Q381-E385 HydrophobicContact CG-CG 4.48Å; Q381-E385 VanDerWaalsContact CG-OE1 3.28Å; Q381-E385 WeakPolarHBondContact CG-OE1 3.37Å; Q381-E385 PolarHBondContact NE2-OE1 3.33Å; Q381-E385 WeakPolarHBondContact O-CG 3.28Å; Q381-E385 PolarHBondContact O-N 2.94Å |
| 382 | L | 87.8 | Confident | 91.2 | Very high | 44 Ų | 44 | 97.1 Ų | 97.1 | 23% | 0.23 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -62.1 | -36.1 | 177.3 | -73.2 | 171.5 | 0 | 0 | 0 | 112.2 | R378 V379 E385 N386 | R378-L382 HydrophobicContact CG-CD1 4.14Å; R378-L382 HydrophobicContact CG-CG 4.49Å; R378-L382 WeakPolarHBondContact O-CB 3.32Å; R378-L382 WeakPolarHBondContact O-CG 3.37Å; R378-L382 PolarHBondContact O-N 3.24Å; V379-L382 PolarHBondContact O-N 3.25Å; L382-E385 PolarHBondContact O-N 3.44Å; L382-N386 WeakPolarHBondContact O-CB 3.5Å; L382-N386 PolarHBondContact O-N 2.71Å; L382-N386 PolarHBondContact O-ND2 2.85Å |
| 383 | E | 90.9 | Very high | 91.6 | Very high | 120 Ų | 120 | 92.3 Ų | 92.3 | 56% | 0.561 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -61.2 | -43.3 | 172.9 | -74.1 | 170.1 | 165.7 | 0 | 0 | 111.9 | V379 Q381 A387 | V379-E383 HydrophobicContact CG1-CG 4.35Å; V379-E383 WeakPolarHBondContact O-CG 3.24Å; V379-E383 PolarHBondContact O-N 3.4Å; Q381-E383 VanDerWaalsContact C-N 3.3Å; Q381-E383 PolarHBondContact O-N 2.86Å; E383-A387 VanDerWaalsContact O-CB 3.32Å; E383-A387 WeakPolarHBondContact O-CB 3.25Å; E383-A387 PolarHBondContact O-N 2.83Å |
| 384 | R | 94.9 | Very high | 92.3 | Very high | 155 Ų | 155 | 90.9 Ų | 90.9 | 59% | 0.585 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -68 | -43.8 | 175.6 | -67.2 | 176.4 | -164.4 | 103.8 | 3 | 112.2 | Q380 Q381 A387 R388 | Q380-R384 WeakPolarHBondContact O-CG 3.43Å; Q380-R384 PolarHBondContact O-N 3.49Å; Q380-R384 PolarHBondContact O-NH1 2.72Å; Q381-R384 PolarHBondContact O-N 3.04Å; Q381-R384 VanDerWaalsContact O-N 3.15Å; R384-A387 PolarHBondContact O-N 2.84Å; R384-R388 PolarHBondContact O-N 3.13Å |
| 385 | E | 93.4 | Very high | 92.9 | Very high | 55 Ų | 55 | 92.5 Ų | 92.5 | 26% | 0.257 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.4 | -45.8 | 178 | -74.6 | 169.9 | -172.7 | 0 | 0 | 110.9 | R378 Q381 L382 A387 R388 I389 | R378-E385 IonicContact NH1-OE2 2.7Å; Q381-E385 HydrophobicContact CG-CG 4.48Å; Q381-E385 VanDerWaalsContact CG-OE1 3.28Å; Q381-E385 WeakPolarHBondContact CG-OE1 3.37Å; Q381-E385 PolarHBondContact NE2-OE1 3.33Å; Q381-E385 WeakPolarHBondContact O-CG 3.28Å; Q381-E385 PolarHBondContact O-N 2.94Å; L382-E385 PolarHBondContact O-N 3.44Å; E385-A387 PolarHBondContact O-N 3.19Å; E385-R388 PolarHBondContact O-N 2.99Å; E385-I389 WeakPolarHBondContact O-CG1 3.25Å; E385-I389 PolarHBondContact O-N 2.99Å |
| 386 | N | 91.3 | Very high | 93.3 | Very high | 83 Ų | 83 | 92.1 Ų | 92.1 | 44% | 0.444 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -64.7 | -36.6 | 175.7 | -73 | -20.7 | 0 | 0 | 0 | 112.5 | L382 K390 | L382-N386 WeakPolarHBondContact O-CB 3.5Å; L382-N386 PolarHBondContact O-N 2.71Å; L382-N386 PolarHBondContact O-ND2 2.85Å; N386-K390 WeakPolarHBondContact O-CB 3.49Å; N386-K390 VanDerWaalsContact O-CG 3.26Å; N386-K390 WeakPolarHBondContact O-CG 3.47Å; N386-K390 PolarHBondContact O-N 3.38Å |
| 387 | A | 94.5 | Very high | 93.6 | Very high | 60 Ų | 60 | 90 Ų | 90 | 50% | 0.496 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64 | -41.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | E383 R384 E385 A391 | E383-A387 VanDerWaalsContact O-CB 3.32Å; E383-A387 WeakPolarHBondContact O-CB 3.25Å; E383-A387 PolarHBondContact O-N 2.83Å; R384-A387 PolarHBondContact O-N 2.84Å; E385-A387 PolarHBondContact O-N 3.19Å; A387-A391 PolarHBondContact O-N 2.94Å |
| 388 | R | 97.5 | Very high | 94 | Very high | 162 Ų | 162 | 88.9 Ų | 88.9 | 61% | 0.611 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -63.8 | -49.1 | 175.1 | -170 | -171.9 | 72.4 | -161.3 | -2.6 | 111.8 | R384 E385 K390 A391 E392 | R384-R388 PolarHBondContact O-N 3.13Å; E385-R388 PolarHBondContact O-N 2.99Å; R388-K390 VanDerWaalsContact C-N 3.29Å; R388-K390 PolarHBondContact O-N 3.42Å; R388-A391 WeakPolarHBondContact O-CB 3.26Å; R388-A391 PolarHBondContact O-N 2.69Å; R388-A391 VanDerWaalsContact O-N 3.13Å; R388-E392 WeakPolarHBondContact O-CB 3.44Å; R388-E392 PolarHBondContact O-N 2.64Å |
| 389 | I | 93.2 | Very high | 94.3 | Very high | 68 Ų | 68 | 87.9 Ų | 87.9 | 35% | 0.349 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -60.4 | -40.4 | 179.6 | -68 | 164.3 | 0 | 0 | 0 | 110.7 | E385 E392 A393 | E385-I389 WeakPolarHBondContact O-CG1 3.25Å; E385-I389 PolarHBondContact O-N 2.99Å; I389-E392 PolarHBondContact O-N 2.97Å; I389-A393 VanDerWaalsContact O-CB 3.3Å; I389-A393 WeakPolarHBondContact O-CB 3.32Å; I389-A393 PolarHBondContact O-N 3.37Å |
| 390 | K | 94.1 | Very high | 94.6 | Very high | 150 Ų | 150 | 88.9 Ų | 88.9 | 65% | 0.652 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -62.9 | -42.8 | 174.3 | -75.7 | 176.7 | 179.7 | -171.9 | 0 | 112.4 | N386 R388 A393 T394 | N386-K390 WeakPolarHBondContact O-CB 3.49Å; N386-K390 VanDerWaalsContact O-CG 3.26Å; N386-K390 WeakPolarHBondContact O-CG 3.47Å; N386-K390 PolarHBondContact O-N 3.38Å; R388-K390 VanDerWaalsContact C-N 3.29Å; R388-K390 PolarHBondContact O-N 3.42Å; K390-A393 PolarHBondContact O-N 3.27Å; K390-T394 WeakPolarHBondContact O-CG2 3.19Å; K390-T394 PolarHBondContact O-N 3.1Å; K390-T394 PolarHBondContact O-OG1 3Å |
| 391 | A | 96.6 | Very high | 94.7 | Very high | 54 Ų | 54 | 91.7 Ų | 91.7 | 45% | 0.446 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.4 | -46.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A387 R388 A393 T394 Q395 | A387-A391 PolarHBondContact O-N 2.94Å; R388-A391 WeakPolarHBondContact O-CB 3.26Å; R388-A391 PolarHBondContact O-N 2.69Å; R388-A391 VanDerWaalsContact O-N 3.13Å; A391-A393 PolarHBondContact O-N 3.02Å; A391-T394 WeakPolarHBondContact CA-OG1 3.18Å; A391-T394 PolarHBondContact O-N 2.94Å; A391-T394 VanDerWaalsContact O-N 3.16Å; A391-T394 PolarHBondContact O-OG1 3.19Å; A391-Q395 PolarHBondContact O-N 3.43Å |
| 392 | E | 97.3 | Very high | 94.9 | Very high | 70 Ų | 70 | 93.7 Ų | 93.7 | 33% | 0.327 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -59.7 | -45.7 | 176.3 | -172.3 | 171.1 | -176.1 | 0 | 0 | 111.4 | R388 I389 T394 Q395 L396 | R388-E392 WeakPolarHBondContact O-CB 3.44Å; R388-E392 PolarHBondContact O-N 2.64Å; I389-E392 PolarHBondContact O-N 2.97Å; E392-T394 PolarHBondContact O-N 3.29Å; E392-Q395 PolarHBondContact O-N 2.96Å; E392-L396 HydrophobicContact CG-CD1 4.38Å; E392-L396 WeakPolarHBondContact O-CG 3.31Å; E392-L396 PolarHBondContact O-N 2.94Å |
| 393 | A | 95 | Very high | 95.2 | Very high | 42 Ų | 42 | 96.6 Ų | 96.6 | 35% | 0.347 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.1 | -38.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | I389 K390 A391 N397 | I389-A393 VanDerWaalsContact O-CB 3.3Å; I389-A393 WeakPolarHBondContact O-CB 3.32Å; I389-A393 PolarHBondContact O-N 3.37Å; K390-A393 PolarHBondContact O-N 3.27Å; A391-A393 PolarHBondContact O-N 3.02Å; A393-N397 WeakPolarHBondContact O-CB 3.4Å; A393-N397 PolarHBondContact O-N 2.88Å; A393-N397 VanDerWaalsContact O-N 3.07Å; A393-N397 PolarHBondContact O-ND2 3.4Å |
| 394 | T | 97.2 | Very high | 95.2 | Very high | 80 Ų | 80 | 98.9 Ų | 98.9 | 49% | 0.491 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.9 | -34.9 | 174.6 | 53.3 | 0 | 0 | 0 | 0 | 112.9 | K390 A391 E392 Q398 | K390-T394 WeakPolarHBondContact O-CG2 3.19Å; K390-T394 PolarHBondContact O-N 3.1Å; K390-T394 PolarHBondContact O-OG1 3Å; A391-T394 WeakPolarHBondContact CA-OG1 3.18Å; A391-T394 PolarHBondContact O-N 2.94Å; A391-T394 VanDerWaalsContact O-N 3.16Å; A391-T394 PolarHBondContact O-OG1 3.19Å; E392-T394 PolarHBondContact O-N 3.29Å; T394-Q398 VanDerWaalsContact O-CG 3.31Å; T394-Q398 WeakPolarHBondContact O-CG 3.14Å; T394-Q398 PolarHBondContact O-N 2.89Å; T394-Q398 VanDerWaalsContact O-N 3.16Å |
| 395 | Q | 97.6 | Very high | 95 | Very high | 108 Ų | 108 | 93.1 Ų | 93.1 | 51% | 0.505 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.7 | -50.5 | 175.3 | -178.9 | -176 | -24.2 | 0 | 0 | 111 | A391 E392 N397 Q398 E399 | A391-Q395 PolarHBondContact O-N 3.43Å; E392-Q395 PolarHBondContact O-N 2.96Å; Q395-N397 VanDerWaalsContact C-N 3.28Å; Q395-N397 PolarHBondContact O-N 2.86Å; Q395-Q398 WeakPolarHBondContact O-CA 3.3Å; Q395-Q398 WeakPolarHBondContact O-CB 3.38Å; Q395-Q398 PolarHBondContact O-N 2.79Å; Q395-E399 WeakPolarHBondContact CG-OE1 3.21Å; Q395-E399 PolarHBondContact NE2-OE1 3.46Å; Q395-E399 PolarHBondContact O-N 3.06Å |
| 396 | L | 96.9 | Very high | 94.8 | Very high | 81 Ų | 81 | 92.2 Ų | 92.2 | 42% | 0.424 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.3 | -37.3 | 179.1 | -69.2 | 172.1 | 0 | 0 | 0 | 112.1 | E392 E399 L400 | E392-L396 HydrophobicContact CG-CD1 4.38Å; E392-L396 WeakPolarHBondContact O-CG 3.31Å; E392-L396 PolarHBondContact O-N 2.94Å; L396-E399 PolarHBondContact O-N 3.28Å; L396-L400 WeakPolarHBondContact O-CB 3.35Å; L396-L400 VanDerWaalsContact O-CG 3.3Å; L396-L400 WeakPolarHBondContact O-CG 3.48Å; L396-L400 PolarHBondContact O-N 3.34Å |
| 397 | N | 96 | Very high | 94.7 | Very high | 105 Ų | 105 | 93.4 Ų | 93.4 | 56% | 0.561 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -64.2 | -38 | 173 | -79.7 | -53.8 | 0 | 0 | 0 | 112.7 | A393 Q395 E401 | A393-N397 WeakPolarHBondContact O-CB 3.4Å; A393-N397 PolarHBondContact O-N 2.88Å; A393-N397 VanDerWaalsContact O-N 3.07Å; A393-N397 PolarHBondContact O-ND2 3.4Å; Q395-N397 VanDerWaalsContact C-N 3.28Å; Q395-N397 PolarHBondContact O-N 2.86Å; N397-E401 WeakPolarHBondContact O-CB 3.42Å; N397-E401 PolarHBondContact O-N 3.01Å |
| 398 | Q | 96.9 | Very high | 94.3 | Very high | 119 Ų | 119 | 92.4 Ų | 92.4 | 56% | 0.556 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -66.8 | -41.1 | 174.3 | -69.8 | 168 | 25.4 | 0 | 0 | 111.8 | T394 Q395 E401 Q402 | T394-Q398 VanDerWaalsContact O-CG 3.31Å; T394-Q398 WeakPolarHBondContact O-CG 3.14Å; T394-Q398 PolarHBondContact O-N 2.89Å; T394-Q398 VanDerWaalsContact O-N 3.16Å; Q395-Q398 WeakPolarHBondContact O-CA 3.3Å; Q395-Q398 WeakPolarHBondContact O-CB 3.38Å; Q395-Q398 PolarHBondContact O-N 2.79Å; Q398-E401 PolarHBondContact O-N 2.92Å; Q398-Q402 VanDerWaalsContact O-CG 3.24Å; Q398-Q402 WeakPolarHBondContact O-CG 3.27Å; Q398-Q402 PolarHBondContact O-N 3.44Å |
| 399 | E | 96.9 | Very high | 93.5 | Very high | 81 Ų | 81 | 93.6 Ų | 93.6 | 38% | 0.379 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.3 | -43.3 | 176.5 | -70 | 176.1 | -161.5 | 0 | 0 | 111.6 | Q395 L396 E401 Q402 L403 | Q395-E399 WeakPolarHBondContact CG-OE1 3.21Å; Q395-E399 PolarHBondContact NE2-OE1 3.46Å; Q395-E399 PolarHBondContact O-N 3.06Å; L396-E399 PolarHBondContact O-N 3.28Å; E399-E401 VanDerWaalsContact C-N 3.34Å; E399-E401 PolarHBondContact O-N 3.33Å; E399-Q402 PolarHBondContact O-N 2.79Å; E399-L403 WeakPolarHBondContact O-CG 3.43Å; E399-L403 PolarHBondContact O-N 3.3Å |
| 400 | L | 95 | Very high | 93 | Very high | 94 Ų | 94 | 98.5 Ų | 98.5 | 49% | 0.492 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.3 | -41.9 | 173.5 | -75 | 174.1 | 0 | 0 | 0 | 112.2 | L396 L403 R404 | L396-L400 WeakPolarHBondContact O-CB 3.35Å; L396-L400 VanDerWaalsContact O-CG 3.3Å; L396-L400 WeakPolarHBondContact O-CG 3.48Å; L396-L400 PolarHBondContact O-N 3.34Å; L400-L403 PolarHBondContact O-N 3.46Å; L400-R404 WeakPolarHBondContact O-CB 3.3Å; L400-R404 WeakPolarHBondContact O-CG 3.33Å; L400-R404 PolarHBondContact O-N 3.43Å |
| 401 | E | 94.8 | Very high | 92 | Very high | 111 Ų | 111 | 94 Ų | 94 | 52% | 0.519 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -68.7 | -38.6 | 178.3 | -168.1 | 56.2 | -153.1 | 0 | 0 | 111.9 | N397 Q398 E399 L403 R404 A405 | N397-E401 WeakPolarHBondContact O-CB 3.42Å; N397-E401 PolarHBondContact O-N 3.01Å; Q398-E401 PolarHBondContact O-N 2.92Å; E399-E401 VanDerWaalsContact C-N 3.34Å; E399-E401 PolarHBondContact O-N 3.33Å; E401-L403 VanDerWaalsContact C-N 3.34Å; E401-L403 PolarHBondContact O-N 2.83Å; E401-R404 PolarHBondContact O-N 3.29Å; E401-A405 WeakPolarHBondContact O-CB 3.38Å; E401-A405 PolarHBondContact O-N 3.03Å |
| 402 | Q | 95 | Very high | 90.8 | Very high | 126 Ų | 126 | 95.4 Ų | 95.4 | 59% | 0.589 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -60.9 | -41.1 | 171.5 | -72 | 170.3 | 35.8 | 0 | 0 | 112.2 | Q398 E399 S406 | Q398-Q402 VanDerWaalsContact O-CG 3.24Å; Q398-Q402 WeakPolarHBondContact O-CG 3.27Å; Q398-Q402 PolarHBondContact O-N 3.44Å; E399-Q402 PolarHBondContact O-N 2.79Å; Q402-S406 VanDerWaalsContact O-CB 3.29Å; Q402-S406 WeakPolarHBondContact O-CB 3.21Å; Q402-S406 PolarHBondContact O-N 3.33Å |
| 403 | L | 93.9 | Very high | 89.2 | Confident | 104 Ų | 104 | 96.7 Ų | 96.7 | 55% | 0.545 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69.2 | -42.4 | 176.5 | -71.2 | 174 | 0 | 0 | 0 | 112 | E399 L400 E401 S406 I407 | E399-L403 WeakPolarHBondContact O-CG 3.43Å; E399-L403 PolarHBondContact O-N 3.3Å; L400-L403 PolarHBondContact O-N 3.46Å; E401-L403 VanDerWaalsContact C-N 3.34Å; E401-L403 PolarHBondContact O-N 2.83Å; L403-S406 WeakPolarHBondContact O-CB 3.38Å; L403-S406 PolarHBondContact O-N 3.21Å; L403-I407 WeakPolarHBondContact O-CG1 2.99Å; L403-I407 PolarHBondContact O-N 2.7Å |
| 404 | R | 91.2 | Very high | 87.5 | Confident | 168 Ų | 168 | 101.6 Ų | 101.6 | 63% | 0.634 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -58 | -47.7 | 172.3 | -77.2 | 174 | 170.8 | -176.5 | -3.5 | 111.4 | L400 E401 S406 I407 A408 | L400-R404 WeakPolarHBondContact O-CB 3.3Å; L400-R404 WeakPolarHBondContact O-CG 3.33Å; L400-R404 PolarHBondContact O-N 3.43Å; E401-R404 PolarHBondContact O-N 3.29Å; R404-S406 VanDerWaalsContact C-N 3.33Å; R404-S406 PolarHBondContact O-N 3.14Å; R404-I407 PolarHBondContact O-N 2.97Å; R404-A408 VanDerWaalsContact O-CB 3.31Å; R404-A408 WeakPolarHBondContact O-CB 3.42Å; R404-A408 PolarHBondContact O-N 2.6Å |
| 405 | A | 90.1 | Very high | 85.6 | Confident | 35 Ų | 35 | 103.7 Ų | 103.7 | 29% | 0.289 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64 | -35.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | E401 R409 | E401-A405 WeakPolarHBondContact O-CB 3.38Å; E401-A405 PolarHBondContact O-N 3.03Å; A405-R409 WeakPolarHBondContact O-CG 3.28Å; A405-R409 PolarHBondContact O-N 2.96Å; A405-R409 VanDerWaalsContact O-N 3.11Å |
| 406 | S | 90.4 | Very high | 83.6 | Confident | 35 Ų | 35 | 106.1 Ų | 106.1 | 25% | 0.245 | 53% | 0.529 | C | S | . | . | H | α-helix | trans | -63.9 | -48.1 | 173.7 | 177.2 | 0 | 0 | 0 | 0 | 112.1 | Q402 L403 R404 R409 K410 | Q402-S406 VanDerWaalsContact O-CB 3.29Å; Q402-S406 WeakPolarHBondContact O-CB 3.21Å; Q402-S406 PolarHBondContact O-N 3.33Å; L403-S406 WeakPolarHBondContact O-CB 3.38Å; L403-S406 PolarHBondContact O-N 3.21Å; R404-S406 VanDerWaalsContact C-N 3.33Å; R404-S406 PolarHBondContact O-N 3.14Å; S406-R409 PolarHBondContact O-N 3.44Å; S406-K410 PolarHBondContact O-N 2.66Å |
| 407 | I | 89.2 | Confident | 81.6 | Confident | 108 Ų | 108 | 109 Ų | 109 | 55% | 0.554 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.6 | -47.4 | 176 | -67.4 | 164.9 | 0 | 0 | 0 | 109.8 | L403 R404 R409 K410 V411 | L403-I407 WeakPolarHBondContact O-CG1 2.99Å; L403-I407 PolarHBondContact O-N 2.7Å; R404-I407 PolarHBondContact O-N 2.97Å; I407-R409 PolarHBondContact O-N 3.18Å; I407-K410 PolarHBondContact O-N 2.86Å; I407-V411 HydrophobicContact CG2-CG2 4.1Å; I407-V411 WeakPolarHBondContact O-CG2 3.39Å; I407-V411 PolarHBondContact O-N 3.18Å |
| 408 | A | 84.7 | Confident | 79.4 | Confident | 40 Ų | 40 | 110 Ų | 110 | 33% | 0.331 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -57.8 | -32 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | R404 R416 | R404-A408 VanDerWaalsContact O-CB 3.31Å; R404-A408 WeakPolarHBondContact O-CB 3.42Å; R404-A408 PolarHBondContact O-N 2.6Å; A408-R416 PolarHBondContact O-NH2 2.78Å |
| 409 | R | 82.5 | Confident | 77.1 | Confident | 186 Ų | 186 | 111.5 Ų | 111.5 | 70% | 0.702 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -75.7 | -28 | 172.7 | -74.1 | -174 | -61.9 | -97.7 | 2.1 | 114 | A405 S406 I407 | A405-R409 WeakPolarHBondContact O-CG 3.28Å; A405-R409 PolarHBondContact O-N 2.96Å; A405-R409 VanDerWaalsContact O-N 3.11Å; S406-R409 PolarHBondContact O-N 3.44Å; I407-R409 PolarHBondContact O-N 3.18Å |
| 410 | K | 81.5 | Confident | 74.9 | Confident | 171 Ų | 171 | 111.4 Ų | 111.4 | 74% | 0.743 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -88.2 | -24.1 | -178.7 | -73.3 | -177.8 | 177.2 | -175.8 | 0 | 113.8 | S406 I407 P412 | S406-K410 PolarHBondContact O-N 2.66Å; I407-K410 PolarHBondContact O-N 2.86Å; K410-P412 WeakPolarHBondContact O-CD 3.39Å |
| 411 | V | 73.9 | Confident | 72.8 | Confident | 56 Ų | 56 | 114.4 Ų | 114.4 | 34% | 0.339 | 59% | 0.587 | S | S | . | * | S | Bend | trans | -68 | 117.6 | 173.3 | 173.5 | 0 | 0 | 0 | 0 | 108.7 | I407 M415 R416 | I407-V411 HydrophobicContact CG2-CG2 4.1Å; I407-V411 WeakPolarHBondContact O-CG2 3.39Å; I407-V411 PolarHBondContact O-N 3.18Å; V411-M415 HydrophobicContact CG1-CB 3.98Å; V411-R416 HydrophobicContact CG1-CG 4.32Å |
| 412 | P | 70.9 | Confident | 70.7 | Confident | 83 Ų | 83 | 115 Ų | 115 | 54% | 0.539 | 59% | 0.594 | S | S | . | * | trans | -61.7 | 142.2 | 177.1 | 26.1 | -33.6 | 0 | 0 | 0 | 109.9 | K410 N414 M415 | K410-P412 WeakPolarHBondContact O-CD 3.39Å; P412-N414 PolarHBondContact O-N 2.89Å; P412-M415 HydrophobicContact CG-CG 4.22Å; P412-M415 PolarHBondContact O-N 3.09Å | ||
| 413 | S | 63.2 | Low | 68.5 | Low | 98 Ų | 98 | 115.2 Ų | 115.2 | 69% | 0.685 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -53.1 | -29.6 | -177.9 | 42.4 | 0 | 0 | 0 | 0 | 113.5 | M415 R416 | S413-M415 PolarHBondContact O-N 3.21Å; S413-M415 VanDerWaalsContact O-N 3.14Å; S413-R416 PolarHBondContact O-N 3.05Å |
| 414 | N | 60.2 | Low | 66.1 | Low | 144 Ų | 144 | 119.9 Ų | 119.9 | 77% | 0.77 | 62% | 0.615 | S | S | * | * | G | 310 helix | trans | -67.8 | -4.7 | 176.3 | -123.8 | 16.5 | 0 | 0 | 0 | 115.3 | P412 | P412-N414 PolarHBondContact O-N 2.89Š|
| 415 | M | 57.6 | Low | 64 | Low | 124 Ų | 124 | 115.6 Ų | 115.6 | 61% | 0.611 | 62% | 0.615 | S | S | * | * | G | 310 helix | trans | -110.5 | -5.4 | 174 | -74.1 | -74.9 | 135.9 | 0 | 0 | 113.3 | V411 P412 S413 N417 | V411-M415 HydrophobicContact CG1-CB 3.98Å; P412-M415 HydrophobicContact CG-CG 4.22Å; P412-M415 PolarHBondContact O-N 3.09Å; S413-M415 PolarHBondContact O-N 3.21Å; S413-M415 VanDerWaalsContact O-N 3.14Å; M415-N417 VanDerWaalsContact C-N 3.32Å; M415-N417 PolarHBondContact O-N 3.31Å |
| 416 | R | 56 | Low | 61.9 | Low | 159 Ų | 159 | 121.9 Ų | 121.9 | 60% | 0.6 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | -13.1 | -179.1 | -79.9 | -174.2 | 178.2 | -174.8 | -1.2 | 114.8 | A408 V411 S413 | A408-R416 PolarHBondContact O-NH2 2.78Å; V411-R416 HydrophobicContact CG1-CG 4.32Å; S413-R416 PolarHBondContact O-N 3.05Å |
| 417 | N | 54.4 | Low | 59.7 | Low | 143 Ų | 143 | 130.8 Ų | 130.8 | 77% | 0.765 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.3 | 1 | -172.4 | -68.1 | 5.2 | 0 | 0 | 0 | 114.2 | M415 | M415-N417 VanDerWaalsContact C-N 3.32Å; M415-N417 PolarHBondContact O-N 3.31Å |
| 418 | N | 49.7 | Very low | 57.8 | Low | 125 Ų | 125 | 131.3 Ų | 131.3 | 67% | 0.668 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -133 | 61.8 | -175.5 | -68.7 | -39.5 | 0 | 0 | 0 | 111.6 | ||
| 419 | N | 48.7 | Very low | 55.7 | Low | 150 Ų | 150 | 136.9 Ų | 136.9 | 80% | 0.802 | 70% | 0.696 | S | S | * | * | trans | -157.6 | 134.7 | 155.5 | -91.5 | -43.3 | 0 | 0 | 0 | 110 | D421 | N419-D421 PolarHBondContact O-N 2.82Š| ||
| 420 | S | 49.9 | Very low | 54 | Low | 80 Ų | 80 | 134.7 Ų | 134.7 | 56% | 0.559 | 70% | 0.698 | S | S | * | * | trans | -84.5 | 91.2 | -169.9 | 50.4 | 0 | 0 | 0 | 0 | 113.1 | D422 | S420-D422 VanDerWaalsContact C-N 3.26Å; S420-D422 PolarHBondContact O-N 3Å | ||
| 421 | D | 52.1 | Low | 52.2 | Low | 157 Ų | 157 | 133.3 Ų | 133.3 | 84% | 0.84 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -77 | -8.8 | 170.7 | -76.7 | -29.8 | 0 | 0 | 0 | 113.6 | N419 | N419-D421 PolarHBondContact O-N 2.82Š|
| 422 | D | 49.5 | Very low | 50.9 | Low | 124 Ų | 124 | 142 Ų | 142 | 66% | 0.663 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -87.5 | -2 | -178 | -94.4 | -22.3 | 0 | 0 | 0 | 115.5 | S420 | S420-D422 VanDerWaalsContact C-N 3.26Å; S420-D422 PolarHBondContact O-N 3Å |
| 423 | L | 48 | Very low | 50.1 | Low | 129 Ų | 129 | 144.5 Ų | 144.5 | 68% | 0.675 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -87.3 | -3.5 | -172.4 | -83.9 | 174.2 | 0 | 0 | 0 | 115.9 | ||
| 424 | F | 44.6 | Very low | 49.1 | Very low | 203 Ų | 203 | 146.3 Ų | 146.3 | 89% | 0.89 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -106.5 | -15.9 | 175.8 | -146.1 | -96.6 | 0 | 0 | 0 | 114 | ||
| 425 | A | 47.2 | Very low | 48.9 | Very low | 77 Ų | 77 | 148 Ų | 148 | 64% | 0.636 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -91.5 | 2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 426 | K | 46.7 | Very low | 48.2 | Very low | 168 Ų | 168 | 149.1 Ų | 149.1 | 73% | 0.73 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -119.8 | 27 | -172 | -87.5 | -177.5 | 174.2 | 173.7 | 0 | 115.3 | ||
| 427 | R | 42.8 | Very low | 47.3 | Very low | 222 Ų | 222 | 151.2 Ų | 151.2 | 84% | 0.838 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -116.2 | 22.4 | 174.8 | -69.5 | -165.4 | -175.8 | -147.5 | 1.9 | 114.5 | ||
| 428 | T | 49.5 | Very low | 46.8 | Very low | 118 Ų | 118 | 150.5 Ų | 150.5 | 72% | 0.724 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -142.3 | 43.5 | -179.1 | 61.9 | 0 | 0 | 0 | 0 | 111.6 | ||
| 429 | N | 41.7 | Very low | 46.2 | Very low | 157 Ų | 157 | 148.6 Ų | 148.6 | 84% | 0.84 | 75% | 0.751 | S | S | * | * | trans | -168.7 | 74.8 | 169 | -82.6 | -41.4 | 0 | 0 | 0 | 107.9 | ||||
| 430 | D | 46.3 | Very low | 45.8 | Very low | 140 Ų | 140 | 149 Ų | 149 | 75% | 0.749 | 75% | 0.752 | S | S | * | * | trans | -120 | 130.3 | 163.6 | -78.8 | -50.4 | 0 | 0 | 0 | 107.5 | ||||
| 431 | D | 43.6 | Very low | 45.3 | Very low | 143 Ų | 143 | 150.5 Ų | 150.5 | 77% | 0.765 | 76% | 0.758 | S | S | * | * | trans | -63.8 | 134.3 | -172 | -61.7 | -61.9 | 0 | 0 | 0 | 112.5 | ||||
| 432 | Y | 47.3 | Very low | 44.8 | Very low | 239 Ų | 239 | 153.7 Ų | 153.7 | 94% | 0.937 | 76% | 0.758 | S | S | * | * | trans | -115.8 | 86.6 | 151.3 | -89.8 | -78 | 0 | 0 | 0 | 107.9 | ||||
| 433 | D | 52.5 | Low | 44.3 | Very low | 135 Ų | 135 | 153 Ų | 153 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | trans | -62.9 | 148.6 | 177.8 | -112.7 | -38.2 | 0 | 0 | 0 | 112.3 | H435 | D433-H435 PolarHBondContact O-N 2.71Š| ||
| 434 | D | 42.2 | Very low | 44.1 | Very low | 135 Ų | 135 | 152 Ų | 152 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | trans | -78.3 | 115.6 | -177.5 | -171.5 | 10.4 | 0 | 0 | 0 | 110.6 | ||||
| 435 | H | 56.2 | Low | 44.4 | Very low | 181 Ų | 181 | 146.8 Ų | 146.8 | 84% | 0.838 | 76% | 0.756 | S | S | * | * | trans | -119 | 96.1 | 172.7 | -81.8 | 0.3 | 0 | 0 | 0 | 111.6 | D433 | D433-H435 PolarHBondContact O-N 2.71Š| ||
| 436 | E | 44 | Very low | 44.2 | Very low | 146 Ų | 146 | 149.9 Ų | 149.9 | 68% | 0.682 | 76% | 0.761 | S | S | * | * | trans | -46.2 | 133.1 | 174.8 | -86.8 | -150.9 | 107.5 | 0 | 0 | 115.7 | ||||
| 437 | R | 37.5 | Very low | 44.5 | Very low | 203 Ų | 203 | 148.7 Ų | 148.7 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | 36 | 109.3 | 119.7 | -179.3 | -155.1 | -73.2 | -98.4 | -5 | 117.2 | |||||
| 438 | T | 42.2 | Very low | 44.4 | Very low | 129 Ų | 129 | 145.8 Ų | 145.8 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | trans | 154 | 146.6 | 136.9 | 38.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 439 | S | 38.9 | Very low | 44.1 | Very low | 85 Ų | 85 | 144.9 Ų | 144.9 | 59% | 0.594 | 77% | 0.774 | S | S | * | * | cis | 173.5 | 138.4 | -14.2 | 53.8 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 440 | L | 39.9 | Very low | 43.9 | Very low | 159 Ų | 159 | 142.8 Ų | 142.8 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | trans | 67.5 | 152.8 | 166.3 | -47.5 | 164.1 | 0 | 0 | 0 | 114.8 | ||||
| 441 | T | 39.4 | Very low | 43.8 | Very low | 110 Ų | 110 | 142.5 Ų | 142.5 | 68% | 0.675 | 78% | 0.775 | S | S | * | * | cis | -164.4 | 148.4 | -15.4 | 19.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 442 | R | 40.3 | Very low | 43.6 | Very low | 225 Ų | 225 | 142.8 Ų | 142.8 | 85% | 0.849 | 78% | 0.776 | S | S | * | * | trans | 66.3 | 113.8 | 143.6 | -75.7 | 175.5 | 150 | -170.8 | -8.6 | 121.8 | ||||
| 443 | S | 39.5 | Very low | 43.5 | Very low | 108 Ų | 108 | 136 Ų | 136 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | 100.8 | 127.1 | 115.4 | -68.5 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 444 | S | 44.5 | Very low | 42.8 | Very low | 110 Ų | 110 | 139.8 Ų | 139.8 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | trans | 73.6 | 141.1 | 149.2 | -127.8 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 445 | S | 49.7 | Very low | 42.7 | Very low | 93 Ų | 93 | 139.2 Ų | 139.2 | 65% | 0.65 | 77% | 0.774 | S | S | * | * | cis | -155.3 | 144.4 | 3.3 | -14.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 446 | D | 43.6 | Very low | 42.1 | Very low | 142 Ų | 142 | 134.8 Ų | 134.8 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | trans | 18.7 | 130.5 | 140.6 | -40.5 | -34.8 | 0 | 0 | 0 | 121 | ||||
| 447 | T | 54.1 | Low | 42.1 | Very low | 142 Ų | 142 | 137.1 Ų | 137.1 | 87% | 0.871 | 78% | 0.779 | S | S | * | * | -170.7 | 139.3 | 107.2 | 18 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 448 | D | 40.4 | Very low | 42.2 | Very low | 162 Ų | 162 | 135.9 Ų | 135.9 | 87% | 0.866 | 79% | 0.785 | S | S | * | * | trans | -80.5 | 153.2 | -178.4 | -53.4 | -80 | 0 | 0 | 0 | 113.8 | ||||
| 449 | A | 42.3 | Very low | 42.4 | Very low | 99 Ų | 99 | 135.1 Ų | 135.1 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | -179.5 | 113.3 | 126 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 450 | S | 38 | Very low | 43 | Very low | 112 Ų | 112 | 135.7 Ų | 135.7 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | trans | -38.2 | 138.8 | 160.2 | 161.6 | 0 | 0 | 0 | 0 | 116 | ||||
| 451 | T | 43.7 | Very low | 43.3 | Very low | 135 Ų | 135 | 133.3 Ų | 133.3 | 83% | 0.828 | 77% | 0.768 | S | S | * | * | -169.5 | 117.3 | 119.5 | -67.1 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 452 | D | 40.1 | Very low | 44 | Very low | 148 Ų | 148 | 135.3 Ų | 135.3 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | trans | -108.2 | 168.4 | 158 | -134 | -6.4 | 0 | 0 | 0 | 106.1 | ||||
| 453 | P | 45.2 | Very low | 44.4 | Very low | 97 Ų | 97 | 133 Ų | 133 | 63% | 0.63 | 77% | 0.765 | S | S | * | * | cis | -149.2 | -165.6 | 38 | 28.7 | 0.1 | 0 | 0 | 0 | 116.1 | ||||
| 454 | Y | 38.3 | Very low | 44.7 | Very low | 214 Ų | 214 | 131.9 Ų | 131.9 | 84% | 0.839 | 76% | 0.757 | S | S | * | * | trans | 75.6 | 99.5 | 166.6 | -78.1 | -92.9 | 0 | 0 | 0 | 118.4 | ||||
| 455 | S | 38.4 | Very low | 44.8 | Very low | 124 Ų | 124 | 133.4 Ų | 133.4 | 87% | 0.867 | 75% | 0.752 | S | S | * | * | trans | -130 | 117 | 140 | -77.7 | 0 | 0 | 0 | 0 | 108.4 | E457 | S455-E457 PolarHBondContact O-N 2.97Š| ||
| 456 | A | 44.1 | Very low | 44.7 | Very low | 87 Ų | 87 | 136 Ų | 136 | 72% | 0.719 | 76% | 0.757 | S | S | * | * | trans | -83.1 | 113.8 | -176 | 0 | 0 | 0 | 0 | 0 | 110.4 | M458 | A456-M458 PolarHBondContact O-N 2.84Š| ||
| 457 | E | 43.3 | Very low | 44.9 | Very low | 195 Ų | 195 | 136 Ų | 136 | 91% | 0.911 | 76% | 0.755 | S | S | * | * | trans | -71.9 | 124.9 | 166.1 | -67.9 | -168.1 | 141.3 | 0 | 0 | 109.6 | S455 | S455-E457 PolarHBondContact O-N 2.97Š| ||
| 458 | M | 41.4 | Very low | 44.6 | Very low | 178 Ų | 178 | 133.3 Ų | 133.3 | 88% | 0.877 | 74% | 0.741 | S | S | * | * | trans | -70.2 | 128.1 | 179.5 | -83.6 | -90.9 | 142.4 | 0 | 0 | 111 | A456 S460 | A456-M458 PolarHBondContact O-N 2.84Å; M458-S460 PolarHBondContact O-N 2.84Å | ||
| 459 | D | 44.4 | Very low | 44.8 | Very low | 112 Ų | 112 | 131.1 Ų | 131.1 | 60% | 0.599 | 73% | 0.729 | S | S | * | * | trans | -65.1 | 114.9 | -177.2 | -162.9 | -22.3 | 0 | 0 | 0 | 111.1 | N461 | D459-N461 PolarHBondContact O-N 3.2Å; D459-N461 VanDerWaalsContact O-N 3.14Å; D459-N461 WeakPolarHBondContact OD1-CB 3.33Å; D459-N461 PolarHBondContact OD1-N 3.33Å; D459-N461 PolarHBondContact OD1-ND2 3.15Å | ||
| 460 | S | 52.2 | Low | 45.2 | Very low | 97 Ų | 97 | 129.7 Ų | 129.7 | 68% | 0.678 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | -5.1 | -175.2 | 53.3 | 0 | 0 | 0 | 0 | 113.8 | M458 | M458-S460 PolarHBondContact O-N 2.84Š|
| 461 | N | 46.3 | Very low | 45.6 | Very low | 110 Ų | 110 | 130.3 Ų | 130.3 | 59% | 0.588 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -72.9 | -36.2 | -179 | -72.8 | -63.4 | 0 | 0 | 0 | 114.5 | D459 K463 C464 | D459-N461 PolarHBondContact O-N 3.2Å; D459-N461 VanDerWaalsContact O-N 3.14Å; D459-N461 WeakPolarHBondContact OD1-CB 3.33Å; D459-N461 PolarHBondContact OD1-N 3.33Å; D459-N461 PolarHBondContact OD1-ND2 3.15Å; N461-K463 VanDerWaalsContact C-N 3.31Å; N461-K463 PolarHBondContact O-N 3.2Å; N461-C464 PolarHBondContact O-N 3.26Å |
| 462 | E | 54.2 | Low | 45.8 | Very low | 151 Ų | 151 | 128.4 Ų | 128.4 | 71% | 0.706 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -67.8 | -30.3 | -175.7 | -68.7 | -164.9 | 143.1 | 0 | 0 | 112.9 | C464 Q465 | E462-C464 VanDerWaalsContact C-N 3.32Å; E462-C464 PolarHBondContact O-N 3.3Å; E462-Q465 PolarHBondContact O-N 2.92Å |
| 463 | K | 49.6 | Very low | 46.2 | Very low | 176 Ų | 176 | 125.7 Ų | 125.7 | 77% | 0.765 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -70.3 | -27.1 | -179.2 | -164.5 | 169.9 | -176.6 | 176.4 | 0 | 113.2 | N461 | N461-K463 VanDerWaalsContact C-N 3.31Å; N461-K463 PolarHBondContact O-N 3.2Å |
| 464 | C | 44.7 | Very low | 46.3 | Very low | 86 Ų | 86 | 127.4 Ų | 127.4 | 58% | 0.581 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -76.4 | -27.2 | 174.8 | -75.6 | 0 | 0 | 0 | 0 | 112.6 | N461 E462 | N461-C464 PolarHBondContact O-N 3.26Å; E462-C464 VanDerWaalsContact C-N 3.32Å; E462-C464 PolarHBondContact O-N 3.3Å |
| 465 | Q | 47 | Very low | 46.4 | Very low | 141 Ų | 141 | 121.8 Ų | 121.8 | 66% | 0.659 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -78.8 | -24.3 | -171.9 | -145.4 | 150.5 | 40.4 | 0 | 0 | 113.5 | E462 N469 | E462-Q465 PolarHBondContact O-N 2.92Å; Q465-N469 PolarHBondContact O-ND2 2.93Å; Q465-N469 VanDerWaalsContact O-ND2 3.11Å |
| 466 | L | 47.3 | Very low | 46.7 | Very low | 147 Ų | 147 | 126.1 Ų | 126.1 | 77% | 0.77 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -79.8 | -25.8 | 174.8 | -73.5 | 166 | 0 | 0 | 0 | 113.7 | ||
| 467 | M | 48.1 | Very low | 46.8 | Very low | 143 Ų | 143 | 125.8 Ų | 125.8 | 70% | 0.704 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -77.6 | -36.3 | -179.2 | -70.9 | -87.5 | -76.8 | 0 | 0 | 112.8 | N469 | M467-N469 PolarHBondContact O-N 3.21Å |
| 468 | C | 47 | Very low | 46.8 | Very low | 86 Ų | 86 | 124.6 Ų | 124.6 | 58% | 0.581 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -75.5 | -23.9 | -174 | -66.8 | 0 | 0 | 0 | 0 | 114.2 | ||
| 469 | N | 45 | Very low | 47.1 | Very low | 116 Ų | 116 | 124.7 Ų | 124.7 | 62% | 0.62 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -78.3 | -18.8 | -176.6 | -72.1 | -33.5 | 0 | 0 | 0 | 114.1 | Q465 M467 | Q465-N469 PolarHBondContact O-ND2 2.93Å; Q465-N469 VanDerWaalsContact O-ND2 3.11Å; M467-N469 PolarHBondContact O-N 3.21Å |
| 470 | A | 50.2 | Low | 47.3 | Very low | 68 Ų | 68 | 127.9 Ų | 127.9 | 56% | 0.562 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -73.4 | -37.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 471 | N | 47.6 | Very low | 47.1 | Very low | 125 Ų | 125 | 131 Ų | 131 | 67% | 0.668 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -92.3 | -20.7 | -168.2 | -70.8 | -21.6 | 0 | 0 | 0 | 114.7 | S473 N474 | N471-S473 PolarHBondContact O-N 2.85Å; N471-N474 PolarHBondContact O-N 3.1Å |
| 472 | V | 48.5 | Very low | 47.4 | Very low | 95 Ų | 95 | 134.2 Ų | 134.2 | 58% | 0.576 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | -24.6 | 177.9 | 179.1 | 0 | 0 | 0 | 0 | 112 | N474 | V472-N474 VanDerWaalsContact C-N 3.32Å; V472-N474 PolarHBondContact O-N 3.27Å |
| 473 | S | 48.6 | Very low | 47.4 | Very low | 92 Ų | 92 | 131.9 Ų | 131.9 | 64% | 0.643 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -29 | -179.8 | -54.2 | 0 | 0 | 0 | 0 | 114 | N471 | N471-S473 PolarHBondContact O-N 2.85Š|
| 474 | N | 47.2 | Very low | 47.3 | Very low | 132 Ų | 132 | 129.9 Ų | 129.9 | 71% | 0.706 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | -18.3 | -167.9 | -147.9 | 14.6 | 0 | 0 | 0 | 114 | N471 V472 | N471-N474 PolarHBondContact O-N 3.1Å; V472-N474 VanDerWaalsContact C-N 3.32Å; V472-N474 PolarHBondContact O-N 3.27Å |
| 475 | C | 39.6 | Very low | 47.5 | Very low | 97 Ų | 97 | 133.6 Ų | 133.6 | 66% | 0.655 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -87.8 | -13.5 | -175.6 | -61.6 | 0 | 0 | 0 | 0 | 114.4 | S477 | C475-S477 VanDerWaalsContact C-N 3.28Å; C475-S477 PolarHBondContact O-N 2.67Å |
| 476 | R | 45 | Very low | 47.6 | Very low | 215 Ų | 215 | 133.2 Ų | 133.2 | 81% | 0.811 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -77.8 | -7.6 | -178.1 | -82.8 | -173.7 | 170.6 | 176.5 | 1.6 | 115 | ||
| 477 | S | 45.6 | Very low | 47.6 | Very low | 80 Ų | 80 | 132.5 Ų | 132.5 | 56% | 0.559 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -79.3 | -28.7 | -175.3 | -39.6 | 0 | 0 | 0 | 0 | 113.4 | C475 | C475-S477 VanDerWaalsContact C-N 3.28Å; C475-S477 PolarHBondContact O-N 2.67Å |
| 478 | F | 43.5 | Very low | 47.5 | Very low | 169 Ų | 169 | 131.9 Ų | 131.9 | 74% | 0.741 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -95.1 | -20.1 | -159.4 | -136.7 | -95.5 | 0 | 0 | 0 | 115.5 | ||
| 479 | E | 47.8 | Very low | 47.6 | Very low | 181 Ų | 181 | 134.6 Ų | 134.6 | 85% | 0.846 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -1.4 | -175.6 | -69 | -172.3 | 141.6 | 0 | 0 | 114.5 | ||
| 480 | K | 48.2 | Very low | 47.7 | Very low | 178 Ų | 178 | 135.8 Ų | 135.8 | 77% | 0.774 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | -9.9 | -177.5 | -95.9 | -173.5 | 172.7 | -173.9 | 0 | 116 | ||
| 481 | E | 49.3 | Very low | 47.6 | Very low | 163 Ų | 163 | 140.3 Ų | 140.3 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -97.9 | -5.9 | -172.9 | -65.7 | -169.8 | 148.8 | 0 | 0 | 114.8 | ||
| 482 | Q | 51.8 | Low | 47.6 | Very low | 178 Ų | 178 | 141.4 Ų | 141.4 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -100 | 1.6 | -180 | -71.6 | -165.8 | 11 | 0 | 0 | 115.7 | ||
| 483 | S | 53.1 | Low | 47.5 | Very low | 102 Ų | 102 | 144.9 Ų | 144.9 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -98.9 | 17.9 | 178.6 | 82.1 | 0 | 0 | 0 | 0 | 114.5 | ||
| 484 | V | 49.1 | Very low | 47.4 | Very low | 133 Ų | 133 | 149.3 Ų | 149.3 | 81% | 0.806 | 80% | 0.797 | S | S | * | * | trans | -136.1 | 62.5 | 177.9 | -167.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 485 | A | 48.8 | Very low | 47.4 | Very low | 164 Ų | 164 | 150.9 Ų | 150.9 | 100% | 1.355 | 81% | 0.805 | S | S | * | * | trans | -156.2 | 0 | 165 | 0 | 0 | 0 | 0 | 0 | 108.6 |
Retrieved 485 of 485 residues in 383 ms
(Link to these results)