| 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 | 38.3 | Very low | 36.3 | Very low | 238 Ų | 238 | 159.9 Ų | 159.9 | 100% | 1.172 | 85% | 0.845 | S | S | * | * | 0 | 80.7 | 0 | -169.3 | -176.2 | -105.9 | 0 | 0 | 107.5 | |||||
| 2 | I | 34.8 | Very low | 35.9 | Very low | 167 Ų | 167 | 160.8 Ų | 160.8 | 86% | 0.856 | 85% | 0.849 | S | S | * | * | trans | -145.4 | 117.3 | 162.1 | -61 | -175.7 | 0 | 0 | 0 | 104.3 | ||||
| 3 | D | 37.2 | Very low | 35.8 | Very low | 146 Ų | 146 | 156.5 Ų | 156.5 | 78% | 0.781 | 84% | 0.838 | S | S | * | * | trans | -61.3 | 138.5 | -172.3 | -72.1 | -52.4 | 0 | 0 | 0 | 112.6 | F5 | D3-F5 PolarHBondContact O-N 3.01Å; D3-F5 VanDerWaalsContact O-N 3.09Å | ||
| 4 | L | 36.8 | Very low | 36 | Very low | 165 Ų | 165 | 160.1 Ų | 160.1 | 86% | 0.864 | 84% | 0.843 | S | S | * | * | trans | -59.8 | 104 | 162.3 | -73.4 | 155.7 | 0 | 0 | 0 | 107.9 | V6 | L4-V6 PolarHBondContact O-N 3.05Š| ||
| 5 | F | 39.8 | Very low | 35.8 | Very low | 204 Ų | 204 | 154.9 Ų | 154.9 | 90% | 0.895 | 84% | 0.843 | S | S | * | * | trans | -69.4 | 100.7 | 167.2 | -131.2 | -96.1 | 0 | 0 | 0 | 107.7 | D3 S7 | D3-F5 PolarHBondContact O-N 3.01Å; D3-F5 VanDerWaalsContact O-N 3.09Å; F5-S7 PolarHBondContact O-N 3.27Å | ||
| 6 | V | 34.4 | Very low | 36.1 | Very low | 121 Ų | 121 | 156.3 Ų | 156.3 | 73% | 0.733 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 119.3 | 175.6 | 172.4 | 0 | 0 | 0 | 0 | 108.6 | L4 | L4-V6 PolarHBondContact O-N 3.05Š|
| 7 | S | 35.1 | Very low | 36.3 | Very low | 96 Ų | 96 | 157.4 Ų | 157.4 | 67% | 0.671 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 142.1 | 171.4 | -70.6 | 0 | 0 | 0 | 0 | 111.8 | F5 S9 | F5-S7 PolarHBondContact O-N 3.27Å; S7-S9 PolarHBondContact O-N 3.39Å; S7-S9 VanDerWaalsContact O-N 3.15Å |
| 8 | P | 40.1 | Very low | 36.4 | Very low | 118 Ų | 118 | 154.9 Ų | 154.9 | 77% | 0.766 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 120.2 | 172.1 | -18.7 | 30.6 | 0 | 0 | 0 | 110.2 | F10 | P8-F10 PolarHBondContact O-N 3.46Š|
| 9 | S | 33.1 | Very low | 36.9 | Very low | 113 Ų | 113 | 151.7 Ų | 151.7 | 79% | 0.79 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 117 | 172.1 | -55.9 | 0 | 0 | 0 | 0 | 109.6 | S7 Q11 | S7-S9 PolarHBondContact O-N 3.39Å; S7-S9 VanDerWaalsContact O-N 3.15Å; S9-Q11 PolarHBondContact O-N 3.5Å |
| 10 | F | 36.1 | Very low | 37.4 | Very low | 210 Ų | 210 | 149.2 Ų | 149.2 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | trans | -64.2 | 104.4 | 166.9 | -91 | -98.5 | 0 | 0 | 0 | 108.5 | P8 L12 | P8-F10 PolarHBondContact O-N 3.46Å; F10-L12 PolarHBondContact O-N 3.02Å | ||
| 11 | Q | 33.9 | Very low | 37.9 | Very low | 181 Ų | 181 | 145.4 Ų | 145.4 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | trans | -76.5 | 116.1 | 172 | -143 | 166 | 1.9 | 0 | 0 | 108 | S9 C13 | S9-Q11 PolarHBondContact O-N 3.5Å; Q11-C13 VanDerWaalsContact C-N 3.3Å; Q11-C13 PolarHBondContact O-N 3.15Å | ||
| 12 | L | 30.9 | Very low | 38.2 | Very low | 171 Ų | 171 | 138.4 Ų | 138.4 | 90% | 0.895 | 77% | 0.768 | S | S | * | * | trans | -66.6 | 82.5 | -178.8 | -155.7 | 88.5 | 0 | 0 | 0 | 109.7 | F10 K14 | F10-L12 PolarHBondContact O-N 3.02Å; L12-K14 PolarHBondContact O-N 2.65Å | ||
| 13 | C | 34.5 | Very low | 38.7 | Very low | 104 Ų | 104 | 134.8 Ų | 134.8 | 70% | 0.703 | 75% | 0.753 | S | S | * | * | trans | -72.5 | 111.3 | 170.4 | -81.2 | 0 | 0 | 0 | 0 | 108.9 | Q11 G15 | Q11-C13 VanDerWaalsContact C-N 3.3Å; Q11-C13 PolarHBondContact O-N 3.15Å; C13-G15 PolarHBondContact O-N 3.41Å; C13-G15 VanDerWaalsContact O-N 3.11Å | ||
| 14 | K | 38.9 | Very low | 39 | Very low | 208 Ų | 208 | 137.5 Ų | 137.5 | 90% | 0.904 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -46 | 113.6 | 176.6 | -71.1 | 174.8 | 173.3 | 176.9 | 0 | 111.5 | L12 K16 | L12-K14 PolarHBondContact O-N 2.65Å; K14-K16 PolarHBondContact O-N 3.12Å |
| 15 | G | 33.7 | Very low | 39.3 | Very low | 82 Ų | 82 | 136.1 Ų | 136.1 | 85% | 0.845 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 80.1 | 9.9 | 143.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | C13 | C13-G15 PolarHBondContact O-N 3.41Å; C13-G15 VanDerWaalsContact O-N 3.11Å |
| 16 | K | 40.2 | Very low | 39.7 | Very low | 177 Ų | 177 | 130.2 Ų | 130.2 | 77% | 0.77 | 73% | 0.73 | S | S | * | * | trans | -133.3 | 122.9 | 165.4 | -71.5 | -171.7 | -179.7 | -177.9 | 0 | 110.6 | K14 C18 | K14-K16 PolarHBondContact O-N 3.12Å; K16-C18 VanDerWaalsContact C-N 3.34Å; K16-C18 PolarHBondContact O-N 3.14Å | ||
| 17 | L | 38.8 | Very low | 40.1 | Very low | 175 Ų | 175 | 130.2 Ų | 130.2 | 92% | 0.916 | 73% | 0.726 | S | S | * | * | trans | -61.3 | 91.7 | 175.7 | -154.7 | 83.9 | 0 | 0 | 0 | 108.2 | D19 | L17-D19 PolarHBondContact O-N 2.97Å; L17-D19 VanDerWaalsContact O-N 3.12Å | ||
| 18 | C | 39.2 | Very low | 40.5 | Very low | 113 Ų | 113 | 129.4 Ų | 129.4 | 76% | 0.764 | 72% | 0.72 | S | S | * | * | trans | -77.5 | 96.4 | 173.9 | -74.5 | 0 | 0 | 0 | 0 | 108.4 | K16 P20 | K16-C18 VanDerWaalsContact C-N 3.34Å; K16-C18 PolarHBondContact O-N 3.14Å; C18-P20 WeakPolarHBondContact O-CD 3.44Å | ||
| 19 | D | 44.9 | Very low | 40.6 | Very low | 93 Ų | 93 | 134.3 Ų | 134.3 | 50% | 0.497 | 72% | 0.723 | S | S | . | * | trans | -66.3 | 116.8 | 172.3 | -154.5 | -38.6 | 0 | 0 | 0 | 109.3 | L17 S21 V22 | L17-D19 PolarHBondContact O-N 2.97Å; L17-D19 VanDerWaalsContact O-N 3.12Å; D19-S21 VanDerWaalsContact CG-OG 3.29Å; D19-S21 PolarHBondContact O-N 3.39Å; D19-S21 PolarHBondContact OD1-OG 2.98Å; D19-V22 HydrophobicContact CB-CG2 4.39Å; D19-V22 PolarHBondContact O-N 3.35Å | ||
| 20 | P | 48.2 | Very low | 41 | Very low | 102 Ų | 102 | 136.3 Ų | 136.3 | 66% | 0.662 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | -14 | -175.6 | 22 | -30.4 | 0 | 0 | 0 | 113.4 | C18 V22 T23 | C18-P20 WeakPolarHBondContact O-CD 3.44Å; P20-V22 VanDerWaalsContact C-N 3.31Å; P20-V22 PolarHBondContact O-N 2.97Å; P20-T23 PolarHBondContact O-OG1 3.22Å; P20-T23 VanDerWaalsContact O-OG1 3.07Å |
| 21 | S | 46.3 | Very low | 41 | Very low | 70 Ų | 70 | 134.8 Ų | 134.8 | 49% | 0.49 | 72% | 0.716 | S | S | . | * | H | α-helix | trans | -67.1 | -24.9 | 176.1 | 58.5 | 0 | 0 | 0 | 0 | 114.2 | D19 | D19-S21 VanDerWaalsContact CG-OG 3.29Å; D19-S21 PolarHBondContact O-N 3.39Å; D19-S21 PolarHBondContact OD1-OG 2.98Å |
| 22 | V | 44.7 | Very low | 41.1 | Very low | 91 Ų | 91 | 133.6 Ų | 133.6 | 55% | 0.552 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -79.7 | -25.3 | -175.2 | -176.1 | 0 | 0 | 0 | 0 | 112.5 | D19 P20 W24 L25 | D19-V22 HydrophobicContact CB-CG2 4.39Å; D19-V22 PolarHBondContact O-N 3.35Å; P20-V22 VanDerWaalsContact C-N 3.31Å; P20-V22 PolarHBondContact O-N 2.97Å; V22-W24 VanDerWaalsContact C-N 3.33Å; V22-W24 PolarHBondContact O-N 3.44Å; V22-L25 PolarHBondContact O-N 3.45Å |
| 23 | T | 47 | Very low | 41.6 | Very low | 91 Ų | 91 | 131 Ų | 131 | 56% | 0.558 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -72.5 | -25.7 | 178.9 | 60.3 | 0 | 0 | 0 | 0 | 113.5 | P20 S26 N27 | P20-T23 PolarHBondContact O-OG1 3.22Å; P20-T23 VanDerWaalsContact O-OG1 3.07Å; T23-S26 PolarHBondContact O-N 3.09Å; T23-N27 PolarHBondContact O-N 2.95Å |
| 24 | W | 42.8 | Very low | 41.5 | Very low | 203 Ų | 203 | 137.3 Ų | 137.3 | 77% | 0.769 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -69.4 | -32.7 | 177.8 | -108.7 | 80.9 | 0 | 0 | 0 | 112.9 | V22 S28 | V22-W24 VanDerWaalsContact C-N 3.33Å; V22-W24 PolarHBondContact O-N 3.44Å; W24-S28 PolarHBondContact O-N 3.09Å; W24-S28 PolarHBondContact O-OG 3.48Å |
| 25 | L | 43.5 | Very low | 41.8 | Very low | 136 Ų | 136 | 137.2 Ų | 137.2 | 71% | 0.712 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -73.1 | -33 | 176.3 | -88 | 151 | 0 | 0 | 0 | 112.4 | V22 | V22-L25 PolarHBondContact O-N 3.45Å |
| 26 | S | 48 | Very low | 41.8 | Very low | 80 Ų | 80 | 141.7 Ų | 141.7 | 56% | 0.559 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -72.6 | -34.3 | 176.7 | -60.4 | 0 | 0 | 0 | 0 | 113 | T23 | T23-S26 PolarHBondContact O-N 3.09Å |
| 27 | N | 42.2 | Very low | 41.6 | Very low | 121 Ų | 121 | 144.5 Ų | 144.5 | 65% | 0.647 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -76.8 | -25.7 | 178.8 | -91.5 | -10.1 | 0 | 0 | 0 | 113.9 | T23 R29 Q30 | T23-N27 PolarHBondContact O-N 2.95Å; N27-R29 VanDerWaalsContact C-N 3.28Å; N27-R29 PolarHBondContact O-N 3.14Å; N27-Q30 PolarHBondContact O-N 2.66Å |
| 28 | S | 44.4 | Very low | 41.6 | Very low | 79 Ų | 79 | 142 Ų | 142 | 55% | 0.552 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -72.7 | -19.3 | 178.5 | -63.8 | 0 | 0 | 0 | 0 | 113.4 | W24 | W24-S28 PolarHBondContact O-N 3.09Å; W24-S28 PolarHBondContact O-OG 3.48Å |
| 29 | R | 41.1 | Very low | 41.6 | Very low | 221 Ų | 221 | 146.1 Ų | 146.1 | 83% | 0.834 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -12.9 | 177.9 | -100 | -175.7 | 179 | -134.6 | 0.9 | 114.7 | N27 | N27-R29 VanDerWaalsContact C-N 3.28Å; N27-R29 PolarHBondContact O-N 3.14Å |
| 30 | Q | 41.6 | Very low | 41.3 | Very low | 154 Ų | 154 | 147.9 Ų | 147.9 | 72% | 0.72 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.9 | -1.2 | -176.7 | -71.4 | -169.5 | -1.5 | 0 | 0 | 115.2 | N27 | N27-Q30 PolarHBondContact O-N 2.66Š|
| 31 | Q | 35.8 | Very low | 41.1 | Very low | 178 Ų | 178 | 147.8 Ų | 147.8 | 83% | 0.832 | 74% | 0.742 | S | S | * | * | trans | -100.6 | 23.6 | 175.2 | -67.5 | -161.8 | 9.3 | 0 | 0 | 114.6 | V33 | Q31-V33 PolarHBondContact O-N 2.87Å; Q31-V33 VanDerWaalsContact O-N 3.09Å | ||
| 32 | I | 36.4 | Very low | 40.5 | Very low | 156 Ų | 156 | 147.9 Ų | 147.9 | 80% | 0.8 | 75% | 0.753 | S | S | * | * | trans | -83.1 | 64 | 157.3 | -53.8 | 175 | 0 | 0 | 0 | 107.4 | ||||
| 33 | V | 40.4 | Very low | 39.9 | Very low | 118 Ų | 118 | 152 Ų | 152 | 72% | 0.715 | 77% | 0.771 | S | S | * | * | trans | -105.9 | 102.5 | 169.1 | 178.5 | 0 | 0 | 0 | 0 | 107.4 | Q31 K35 | Q31-V33 PolarHBondContact O-N 2.87Å; Q31-V33 VanDerWaalsContact O-N 3.09Å; V33-K35 PolarHBondContact O-N 2.86Å; V33-K35 VanDerWaalsContact O-N 3.12Å | ||
| 34 | R | 34.3 | Very low | 39.6 | Very low | 235 Ų | 235 | 151.8 Ų | 151.8 | 89% | 0.887 | 78% | 0.779 | S | S | * | * | trans | -4 | 95.7 | 160.8 | -62.8 | -180 | 173.6 | 106.9 | -0.4 | 114.2 | ||||
| 35 | K | 43.9 | Very low | 39.5 | Very low | 206 Ų | 206 | 150.7 Ų | 150.7 | 90% | 0.896 | 78% | 0.784 | S | S | * | * | trans | -90.9 | 101.2 | 158.2 | -159.2 | 172 | -174.4 | 178 | 0 | 107.2 | V33 R37 | V33-K35 PolarHBondContact O-N 2.86Å; V33-K35 VanDerWaalsContact O-N 3.12Å; K35-R37 PolarHBondContact O-N 2.81Å | ||
| 36 | E | 33.2 | Very low | 39.7 | Very low | 176 Ų | 176 | 150.4 Ų | 150.4 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 132.5 | 176.2 | -67.9 | -164.9 | 148.1 | 0 | 0 | 110.8 | P38 | E36-P38 WeakPolarHBondContact O-CD 3.44Š|
| 37 | R | 36.3 | Very low | 39.5 | Very low | 237 Ų | 237 | 155.1 Ų | 155.1 | 89% | 0.894 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 124.5 | 169.1 | -98.3 | -172.1 | -179 | -177.1 | 1 | 109 | K35 K39 | K35-R37 PolarHBondContact O-N 2.81Å; R37-K39 PolarHBondContact O-N 2.82Å |
| 38 | P | 40 | Very low | 39.5 | Very low | 122 Ų | 122 | 156.9 Ų | 156.9 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 134.7 | 162.8 | -15.6 | 29.4 | 0 | 0 | 0 | 109.8 | E36 | E36-P38 WeakPolarHBondContact O-CD 3.44Š|
| 39 | K | 38.3 | Very low | 39.9 | Very low | 200 Ų | 200 | 158.8 Ų | 158.8 | 87% | 0.87 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 134.9 | 174.1 | -74.6 | 173.9 | 177.7 | 172 | 0 | 110.1 | R37 A41 | R37-K39 PolarHBondContact O-N 2.82Å; K39-A41 PolarHBondContact O-N 3.16Å |
| 40 | P | 39.9 | Very low | 40.2 | Very low | 129 Ų | 129 | 156.9 Ų | 156.9 | 84% | 0.838 | 82% | 0.822 | S | S | * | * | trans | -71.4 | 116 | 172.4 | 28.1 | -31.2 | 0 | 0 | 0 | 109.5 | ||||
| 41 | A | 42.5 | Very low | 40.4 | Very low | 101 Ų | 101 | 155.3 Ų | 155.3 | 84% | 0.835 | 82% | 0.822 | S | S | * | * | trans | -74.2 | 122 | 165.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | K39 | K39-A41 PolarHBondContact O-N 3.16Š| ||
| 42 | G | 34.2 | Very low | 40.8 | Very low | 71 Ų | 71 | 154.6 Ų | 154.6 | 73% | 0.732 | 82% | 0.821 | S | S | * | * | trans | 51.4 | 98 | 146.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | A44 | G42-A44 PolarHBondContact O-N 3.12Š| ||
| 43 | L | 33 | Very low | 41.2 | Very low | 178 Ų | 178 | 154.5 Ų | 154.5 | 93% | 0.932 | 82% | 0.822 | S | S | * | * | trans | -49.1 | 103.4 | 155.3 | -71.6 | 156.9 | 0 | 0 | 0 | 110.5 | ||||
| 44 | A | 40.6 | Very low | 41.6 | Very low | 87 Ų | 87 | 154.4 Ų | 154.4 | 72% | 0.719 | 82% | 0.822 | S | S | * | * | trans | -87.2 | 108.2 | 157.1 | 0 | 0 | 0 | 0 | 0 | 106.8 | G42 V46 | G42-A44 PolarHBondContact O-N 3.12Å; A44-V46 PolarHBondContact O-N 3.3Å | ||
| 45 | M | 38.7 | Very low | 41.9 | Very low | 180 Ų | 180 | 147.8 Ų | 147.8 | 89% | 0.887 | 82% | 0.817 | S | S | * | * | trans | -59.7 | 99.2 | 166.8 | -60.8 | -81.2 | -71.7 | 0 | 0 | 107 | ||||
| 46 | V | 47.7 | Very low | 41.8 | Very low | 130 Ų | 130 | 145.4 Ų | 145.4 | 79% | 0.788 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -97.5 | 116.5 | 165.7 | 177.1 | 0 | 0 | 0 | 0 | 105.4 | A44 | A44-V46 PolarHBondContact O-N 3.3Š|
| 47 | E | 44 | Very low | 42.3 | Very low | 179 Ų | 179 | 142.2 Ų | 142.2 | 84% | 0.836 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -48.6 | 135.6 | -177.6 | -66.1 | 169.5 | 148.6 | 0 | 0 | 111.7 | P49 | E47-P49 WeakPolarHBondContact O-CD 3.12Š|
| 48 | D | 43 | Very low | 42.6 | Very low | 157 Ų | 157 | 139.7 Ų | 139.7 | 84% | 0.84 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 121.9 | 172.2 | -72 | -47.7 | 0 | 0 | 0 | 109.3 | E50 | D48-E50 PolarHBondContact O-N 3.37Š|
| 49 | P | 52.3 | Low | 43.2 | Very low | 120 Ų | 120 | 139.8 Ų | 139.8 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 130.6 | 173.2 | 25.2 | -30.7 | 0 | 0 | 0 | 109.9 | E47 V51 | E47-P49 WeakPolarHBondContact O-CD 3.12Å; P49-V51 PolarHBondContact O-N 3.38Å |
| 50 | E | 47.7 | Very low | 43.7 | Very low | 181 Ų | 181 | 139.2 Ų | 139.2 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | trans | -44.2 | 129.5 | 178.6 | -67.6 | 179.6 | 149.6 | 0 | 0 | 112.3 | D48 M52 | D48-E50 PolarHBondContact O-N 3.37Å; E50-M52 PolarHBondContact O-N 2.8Å | ||
| 51 | V | 46 | Very low | 43.7 | Very low | 121 Ų | 121 | 138.8 Ų | 138.8 | 73% | 0.733 | 81% | 0.807 | S | S | * | * | trans | -59.3 | 104.6 | 173.3 | -174.4 | 0 | 0 | 0 | 0 | 107.9 | P49 D53 | P49-V51 PolarHBondContact O-N 3.38Å; V51-D53 PolarHBondContact O-N 3.27Å; V51-D53 VanDerWaalsContact O-N 3.15Å | ||
| 52 | M | 44.7 | Very low | 43.6 | Very low | 163 Ų | 163 | 141.7 Ų | 141.7 | 80% | 0.803 | 81% | 0.805 | S | S | * | * | trans | -71.3 | 104.5 | 164 | -71.9 | -104.5 | 86.4 | 0 | 0 | 107.2 | E50 V54 | E50-M52 PolarHBondContact O-N 2.8Å; M52-V54 PolarHBondContact O-N 3Å | ||
| 53 | D | 43.6 | Very low | 43.8 | Very low | 154 Ų | 154 | 142.8 Ų | 142.8 | 82% | 0.824 | 81% | 0.808 | S | S | * | * | trans | -61.4 | 81.8 | 168 | -73.5 | -38.9 | 0 | 0 | 0 | 109.7 | V51 A55 | V51-D53 PolarHBondContact O-N 3.27Å; V51-D53 VanDerWaalsContact O-N 3.15Å; D53-A55 PolarHBondContact O-N 3.44Å; D53-A55 VanDerWaalsContact O-N 3.14Å | ||
| 54 | V | 48.9 | Very low | 44.1 | Very low | 116 Ų | 116 | 139.2 Ų | 139.2 | 70% | 0.703 | 80% | 0.796 | S | S | * | * | trans | -79.2 | 95.4 | 165.3 | -179.6 | 0 | 0 | 0 | 0 | 106.3 | M52 L56 | M52-V54 PolarHBondContact O-N 3Å; V54-L56 VanDerWaalsContact C-N 3.34Å; V54-L56 PolarHBondContact O-N 3.23Å | ||
| 55 | A | 40.7 | Very low | 44.3 | Very low | 95 Ų | 95 | 143.9 Ų | 143.9 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | trans | -53.3 | 96.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | D53 | D53-A55 PolarHBondContact O-N 3.44Å; D53-A55 VanDerWaalsContact O-N 3.14Å | ||
| 56 | L | 41.5 | Very low | 44.5 | Very low | 156 Ų | 156 | 144.3 Ų | 144.3 | 82% | 0.817 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -78 | 122.7 | 169.6 | -109.3 | 142.6 | 0 | 0 | 0 | 107.4 | V54 | V54-L56 VanDerWaalsContact C-N 3.34Å; V54-L56 PolarHBondContact O-N 3.23Å |
| 57 | P | 43.9 | Very low | 44.2 | Very low | 110 Ų | 110 | 143.3 Ų | 143.3 | 71% | 0.714 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 140.6 | -171.6 | 24.5 | -32.2 | 0 | 0 | 0 | 111.5 | P59 | P57-P59 WeakPolarHBondContact O-CD 3.41Š|
| 58 | E | 44.2 | Very low | 44.2 | Very low | 183 Ų | 183 | 141.5 Ų | 141.5 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 120.8 | 173.2 | -63.8 | -174.7 | 154 | 0 | 0 | 109.7 | E60 | E58-E60 PolarHBondContact O-N 2.96Å; E58-E60 VanDerWaalsContact O-N 3.16Å |
| 59 | P | 52.4 | Low | 44.1 | Very low | 125 Ų | 125 | 137 Ų | 137 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | trans | -70.7 | 113.2 | 167.5 | 26.9 | -29.4 | 0 | 0 | 0 | 108.3 | P57 S61 | P57-P59 WeakPolarHBondContact O-CD 3.41Å; P59-S61 PolarHBondContact O-N 3.24Å | ||
| 60 | E | 47.3 | Very low | 43.7 | Very low | 187 Ų | 187 | 138.8 Ų | 138.8 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | trans | -44 | 130.3 | 169.1 | -61.4 | 176.9 | 165.5 | 0 | 0 | 110.4 | E58 M62 | E58-E60 PolarHBondContact O-N 2.96Å; E58-E60 VanDerWaalsContact O-N 3.16Å; E60-M62 PolarHBondContact O-N 3.5Å | ||
| 61 | S | 40.2 | Very low | 43.4 | Very low | 120 Ų | 120 | 139 Ų | 139 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | trans | -59.8 | 92.9 | 177.1 | 54.6 | 0 | 0 | 0 | 0 | 110.9 | P59 A63 | P59-S61 PolarHBondContact O-N 3.24Å; S61-A63 PolarHBondContact O-N 3.44Å; S61-A63 VanDerWaalsContact O-N 3.13Å | ||
| 62 | M | 42 | Very low | 43.4 | Very low | 162 Ų | 162 | 141.2 Ų | 141.2 | 80% | 0.798 | 79% | 0.794 | S | S | * | * | trans | -72.8 | 100.3 | 157 | -95.4 | -165.5 | 75.8 | 0 | 0 | 107.7 | E60 C64 | E60-M62 PolarHBondContact O-N 3.5Å; M62-C64 VanDerWaalsContact C-N 3.28Å; M62-C64 PolarHBondContact O-N 2.87Å | ||
| 63 | A | 38.2 | Very low | 43.6 | Very low | 95 Ų | 95 | 138.7 Ų | 138.7 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | -58.1 | 95.4 | 157.1 | 0 | 0 | 0 | 0 | 0 | 108 | S61 | S61-A63 PolarHBondContact O-N 3.44Å; S61-A63 VanDerWaalsContact O-N 3.13Å | ||
| 64 | C | 37.8 | Very low | 43.9 | Very low | 102 Ų | 102 | 135.9 Ų | 135.9 | 69% | 0.689 | 78% | 0.78 | S | S | * | * | trans | -89.2 | 119.4 | 162.1 | -72.4 | 0 | 0 | 0 | 0 | 107 | M62 | M62-C64 VanDerWaalsContact C-N 3.28Å; M62-C64 PolarHBondContact O-N 2.87Å | ||
| 65 | E | 45.4 | Very low | 44 | Very low | 185 Ų | 185 | 134.6 Ų | 134.6 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | trans | -54.6 | 140.3 | -174.3 | -61.5 | 179.1 | 140.3 | 0 | 0 | 112.5 | S67 | E65-S67 VanDerWaalsContact C-N 3.31Å; E65-S67 PolarHBondContact O-N 3.44Å | ||
| 66 | E | 42.7 | Very low | 45 | Very low | 190 Ų | 190 | 135 Ų | 135 | 89% | 0.888 | 76% | 0.762 | S | S | * | * | trans | -59.3 | 85 | 167.7 | -173.4 | 174.8 | -162.1 | 0 | 0 | 109.6 | D68 | E66-D68 PolarHBondContact O-N 3.18Š| ||
| 67 | S | 41 | Very low | 45.7 | Very low | 109 Ų | 109 | 131.2 Ų | 131.2 | 76% | 0.762 | 75% | 0.745 | S | S | * | * | trans | -90 | 95 | 160 | 57.9 | 0 | 0 | 0 | 0 | 108 | E65 G69 | E65-S67 VanDerWaalsContact C-N 3.31Å; E65-S67 PolarHBondContact O-N 3.44Å; S67-G69 PolarHBondContact O-N 2.91Å | ||
| 68 | D | 45.2 | Very low | 46.4 | Very low | 140 Ų | 140 | 131.5 Ų | 131.5 | 75% | 0.749 | 74% | 0.737 | S | S | * | * | trans | -64.6 | 69.5 | 168.3 | -157 | 12.7 | 0 | 0 | 0 | 109.3 | E66 | E66-D68 PolarHBondContact O-N 3.18Š| ||
| 69 | G | 39.5 | Very low | 48 | Very low | 62 Ų | 62 | 125.5 Ų | 125.5 | 64% | 0.639 | 71% | 0.713 | S | S | * | * | trans | -105.1 | 77.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | S67 E71 | S67-G69 PolarHBondContact O-N 2.91Å; G69-E71 PolarHBondContact O-N 2.85Å | ||
| 70 | L | 44.6 | Very low | 49 | Very low | 159 Ų | 159 | 123.9 Ų | 123.9 | 83% | 0.832 | 70% | 0.697 | S | S | * | * | trans | -63.9 | 78.5 | 164.9 | -71.3 | 166.9 | 0 | 0 | 0 | 108.3 | E72 | L70-E72 VanDerWaalsContact C-N 3.35Å; L70-E72 PolarHBondContact O-N 3.41Å; L70-E72 VanDerWaalsContact O-N 3.08Å | ||
| 71 | E | 41.6 | Very low | 50.5 | Low | 185 Ų | 185 | 120.4 Ų | 120.4 | 86% | 0.864 | 68% | 0.684 | S | S | * | * | trans | -69.2 | 100.6 | 162 | -165.6 | 171.7 | -167.8 | 0 | 0 | 106 | G69 | G69-E71 PolarHBondContact O-N 2.85Š| ||
| 72 | E | 47 | Very low | 52.4 | Low | 168 Ų | 168 | 120.5 Ų | 120.5 | 79% | 0.785 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 131.8 | 172.8 | -158.5 | 171.1 | -165.1 | 0 | 0 | 108.4 | L70 | L70-E72 VanDerWaalsContact C-N 3.35Å; L70-E72 PolarHBondContact O-N 3.41Å; L70-E72 VanDerWaalsContact O-N 3.08Å |
| 73 | P | 48.8 | Very low | 54.1 | Low | 109 Ų | 109 | 117.5 Ų | 117.5 | 71% | 0.708 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 128.3 | -176.6 | 23.8 | -33.1 | 0 | 0 | 0 | 108.5 | D75 | P73-D75 PolarHBondContact O-N 2.83Š|
| 74 | P | 49.3 | Very low | 56.2 | Low | 95 Ų | 95 | 117.3 Ų | 117.3 | 62% | 0.617 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -55 | 133.5 | -177.8 | 22.4 | -32.7 | 0 | 0 | 0 | 108.7 | V76 | P74-V76 PolarHBondContact O-N 2.98Š|
| 75 | D | 50.6 | Low | 58.2 | Low | 90 Ų | 90 | 117.3 Ų | 117.3 | 48% | 0.481 | 64% | 0.636 | S | S | . | * | trans | -51.6 | 114.7 | 178.4 | -172 | -15.5 | 0 | 0 | 0 | 108.5 | P73 T77 E78 T79 | P73-D75 PolarHBondContact O-N 2.83Å; D75-T77 PolarHBondContact O-N 3.4Å; D75-T77 WeakPolarHBondContact OD1-CB 3.47Å; D75-T77 PolarHBondContact OD1-N 3.49Å; D75-T77 PolarHBondContact OD1-OG1 3.39Å; D75-T77 PolarHBondContact OD2-OG1 2.93Å; D75-T77 VanDerWaalsContact OD2-OG1 3.08Å; D75-E78 HydrophobicContact CB-CG 4.3Å; D75-E78 PolarHBondContact O-N 2.76Å; D75-T79 PolarHBondContact O-N 3.03Å | ||
| 76 | V | 60.8 | Low | 59.8 | Low | 103 Ų | 103 | 110.6 Ų | 110.6 | 62% | 0.624 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -60.1 | -20.7 | -176.4 | -177.3 | 0 | 0 | 0 | 0 | 110.2 | P74 T79 I80 | P74-V76 PolarHBondContact O-N 2.98Å; V76-T79 PolarHBondContact O-N 3.29Å; V76-I80 HydrophobicContact CG1-CD1 4.41Å; V76-I80 VanDerWaalsContact O-CG1 3.32Å; V76-I80 WeakPolarHBondContact O-CG1 3.49Å; V76-I80 PolarHBondContact O-N 2.83Å |
| 77 | T | 57.9 | Low | 61.6 | Low | 77 Ų | 77 | 105.7 Ų | 105.7 | 47% | 0.472 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -68.4 | -41.2 | 173.7 | 64.2 | 0 | 0 | 0 | 0 | 112.7 | D75 T79 I80 D81 | D75-T77 PolarHBondContact O-N 3.4Å; D75-T77 WeakPolarHBondContact OD1-CB 3.47Å; D75-T77 PolarHBondContact OD1-N 3.49Å; D75-T77 PolarHBondContact OD1-OG1 3.39Å; D75-T77 PolarHBondContact OD2-OG1 2.93Å; D75-T77 VanDerWaalsContact OD2-OG1 3.08Å; T77-T79 PolarHBondContact O-N 3.26Å; T77-I80 PolarHBondContact O-N 3.16Å; T77-I80 VanDerWaalsContact O-N 3.14Å; T77-D81 PolarHBondContact O-N 2.86Å |
| 78 | E | 58.5 | Low | 63.3 | Low | 115 Ų | 115 | 102.4 Ų | 102.4 | 54% | 0.537 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63 | -33.9 | 173.8 | -67.6 | -171 | 169.3 | 0 | 0 | 111.4 | D75 Q82 | D75-E78 HydrophobicContact CB-CG 4.3Å; D75-E78 PolarHBondContact O-N 2.76Å; E78-Q82 WeakPolarHBondContact O-CB 3.37Å; E78-Q82 WeakPolarHBondContact O-CG 3.4Å; E78-Q82 PolarHBondContact O-N 3.11Å |
| 79 | T | 76.7 | Confident | 64.7 | Low | 58 Ų | 58 | 102 Ų | 102 | 36% | 0.356 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -68.3 | -39.4 | 176.2 | -46.1 | 0 | 0 | 0 | 0 | 111.2 | D75 V76 T77 I83 | D75-T79 PolarHBondContact O-N 3.03Å; V76-T79 PolarHBondContact O-N 3.29Å; T77-T79 PolarHBondContact O-N 3.26Å; T79-I83 HydrophobicContact CG2-CD1 3.96Å; T79-I83 WeakPolarHBondContact O-CB 3.45Å; T79-I83 WeakPolarHBondContact O-CD1 3.43Å; T79-I83 WeakPolarHBondContact O-CG1 3.24Å; T79-I83 PolarHBondContact O-N 3.14Å |
| 80 | I | 73.6 | Confident | 66.4 | Low | 91 Ų | 91 | 104.6 Ų | 104.6 | 47% | 0.467 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.8 | -45.9 | 176.6 | -68.5 | 163.8 | 0 | 0 | 0 | 110.4 | V76 T77 Q82 I83 V84 | V76-I80 HydrophobicContact CG1-CD1 4.41Å; V76-I80 VanDerWaalsContact O-CG1 3.32Å; V76-I80 WeakPolarHBondContact O-CG1 3.49Å; V76-I80 PolarHBondContact O-N 2.83Å; T77-I80 PolarHBondContact O-N 3.16Å; T77-I80 VanDerWaalsContact O-N 3.14Å; I80-Q82 VanDerWaalsContact C-N 3.33Å; I80-Q82 PolarHBondContact O-N 3.23Å; I80-I83 PolarHBondContact O-N 3.36Å; I80-V84 HydrophobicContact CG2-CG2 4.21Å; I80-V84 WeakPolarHBondContact O-CB 3.31Å; I80-V84 VanDerWaalsContact O-CG2 3.29Å; I80-V84 WeakPolarHBondContact O-CG2 3.34Å; I80-V84 PolarHBondContact O-N 3.28Å |
| 81 | D | 78.4 | Confident | 67.9 | Low | 113 Ų | 113 | 105.7 Ų | 105.7 | 60% | 0.604 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -63.7 | -40.5 | 179.5 | -74.9 | -19.9 | 0 | 0 | 0 | 111.2 | T77 V84 E85 | T77-D81 PolarHBondContact O-N 2.86Å; D81-V84 PolarHBondContact O-N 2.84Å; D81-E85 VanDerWaalsContact O-CB 3.24Å; D81-E85 WeakPolarHBondContact O-CB 3.43Å; D81-E85 PolarHBondContact O-N 3.02Å |
| 82 | Q | 79.8 | Confident | 69.3 | Low | 123 Ų | 123 | 103.2 Ų | 103.2 | 58% | 0.575 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.6 | -41 | 172.7 | -73.3 | 174.2 | 43.5 | 0 | 0 | 112.5 | E78 I80 E85 A86 | E78-Q82 WeakPolarHBondContact O-CB 3.37Å; E78-Q82 WeakPolarHBondContact O-CG 3.4Å; E78-Q82 PolarHBondContact O-N 3.11Å; I80-Q82 VanDerWaalsContact C-N 3.33Å; I80-Q82 PolarHBondContact O-N 3.23Å; Q82-E85 PolarHBondContact O-N 3.42Å; Q82-A86 WeakPolarHBondContact O-CB 3.43Å; Q82-A86 PolarHBondContact O-N 3.05Å |
| 83 | I | 79.1 | Confident | 70.4 | Confident | 99 Ų | 99 | 99.4 Ų | 99.4 | 51% | 0.508 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.9 | -43 | 176.6 | -70.2 | 164 | 0 | 0 | 0 | 110.8 | T79 I80 A86 T87 | T79-I83 HydrophobicContact CG2-CD1 3.96Å; T79-I83 WeakPolarHBondContact O-CB 3.45Å; T79-I83 WeakPolarHBondContact O-CD1 3.43Å; T79-I83 WeakPolarHBondContact O-CG1 3.24Å; T79-I83 PolarHBondContact O-N 3.14Å; I80-I83 PolarHBondContact O-N 3.36Å; I83-A86 PolarHBondContact O-N 2.93Å; I83-T87 VanDerWaalsContact O-CB 3.25Å; I83-T87 WeakPolarHBondContact O-CB 3.3Å; I83-T87 PolarHBondContact O-N 3.2Å; I83-T87 PolarHBondContact O-OG1 3.29Å |
| 84 | V | 80.9 | Confident | 71.1 | Confident | 91 Ų | 91 | 96 Ų | 96 | 55% | 0.552 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.2 | -43.9 | 177.4 | 170.9 | 0 | 0 | 0 | 0 | 110 | I80 D81 T87 A88 | I80-V84 HydrophobicContact CG2-CG2 4.21Å; I80-V84 WeakPolarHBondContact O-CB 3.31Å; I80-V84 VanDerWaalsContact O-CG2 3.29Å; I80-V84 WeakPolarHBondContact O-CG2 3.34Å; I80-V84 PolarHBondContact O-N 3.28Å; D81-V84 PolarHBondContact O-N 2.84Å; V84-T87 PolarHBondContact O-N 3.16Å; V84-A88 VanDerWaalsContact O-CB 3.25Å; V84-A88 WeakPolarHBondContact O-CB 3.44Å; V84-A88 PolarHBondContact O-N 3Å |
| 85 | E | 81.3 | Confident | 71.6 | Confident | 102 Ų | 102 | 94.3 Ų | 94.3 | 48% | 0.477 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69.8 | -38.4 | 178.8 | -154.8 | -172.5 | -164.6 | 0 | 0 | 112.1 | D81 Q82 A88 R89 | D81-E85 VanDerWaalsContact O-CB 3.24Å; D81-E85 WeakPolarHBondContact O-CB 3.43Å; D81-E85 PolarHBondContact O-N 3.02Å; Q82-E85 PolarHBondContact O-N 3.42Å; E85-A88 PolarHBondContact O-N 3.09Å; E85-R89 VanDerWaalsContact CD-CZ 3.44Å; E85-R89 WeakPolarHBondContact O-CB 3.35Å; E85-R89 WeakPolarHBondContact O-CG 3.5Å; E85-R89 PolarHBondContact O-N 3.15Å; E85-R89 IonicContact OE1-CZ 3.86Å; E85-R89 IonicContact OE1-NH1 3.61Å; E85-R89 IonicContact OE1-NH2 3.36Å; E85-R89 PolarHBondContact OE1-NH2 3.45Å; E85-R89 IonicContact OE2-CZ 2.66Å; E85-R89 IonicContact OE2-NH1 3.35Å; E85-R89 PolarHBondContact OE2-NH1 3.49Å; E85-R89 IonicContact OE2-NH2 3.8Å; E85-R89 PolarHBondContact OE2-NH2 3.25Å |
| 86 | A | 77.7 | Confident | 72.1 | Confident | 44 Ų | 44 | 97.1 Ų | 97.1 | 36% | 0.364 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.7 | -44.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q82 I83 A88 R89 D90 | Q82-A86 WeakPolarHBondContact O-CB 3.43Å; Q82-A86 PolarHBondContact O-N 3.05Å; I83-A86 PolarHBondContact O-N 2.93Å; A86-A88 VanDerWaalsContact C-N 3.32Å; A86-A88 PolarHBondContact O-N 3.31Å; A86-R89 PolarHBondContact O-N 3.08Å; A86-D90 WeakPolarHBondContact O-CB 3.25Å; A86-D90 PolarHBondContact O-N 3.1Å |
| 87 | T | 80.6 | Confident | 71.8 | Confident | 86 Ų | 86 | 100.2 Ų | 100.2 | 53% | 0.528 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.1 | -37.7 | 176.4 | -54.6 | 0 | 0 | 0 | 0 | 111.3 | I83 V84 Y91 | I83-T87 VanDerWaalsContact O-CB 3.25Å; I83-T87 WeakPolarHBondContact O-CB 3.3Å; I83-T87 PolarHBondContact O-N 3.2Å; I83-T87 PolarHBondContact O-OG1 3.29Å; V84-T87 PolarHBondContact O-N 3.16Å; T87-Y91 WeakPolarHBondContact O-CB 3.42Å; T87-Y91 PolarHBondContact O-N 2.8Å |
| 88 | A | 76.8 | Confident | 71.6 | Confident | 40 Ų | 40 | 103.6 Ų | 103.6 | 33% | 0.331 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.4 | -44.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | V84 E85 A86 Y91 F92 | V84-A88 VanDerWaalsContact O-CB 3.25Å; V84-A88 WeakPolarHBondContact O-CB 3.44Å; V84-A88 PolarHBondContact O-N 3Å; E85-A88 PolarHBondContact O-N 3.09Å; A86-A88 VanDerWaalsContact C-N 3.32Å; A86-A88 PolarHBondContact O-N 3.31Å; A88-Y91 PolarHBondContact O-N 3.06Å; A88-F92 WeakPolarHBondContact O-CB 3.47Å; A88-F92 WeakPolarHBondContact O-CD2 3.24Å; A88-F92 PolarHBondContact O-N 2.94Å |
| 89 | R | 74.6 | Confident | 71.3 | Confident | 133 Ų | 133 | 100.8 Ų | 100.8 | 50% | 0.502 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.2 | -48.3 | 173.9 | -79.2 | -177.1 | -172.5 | 102.8 | 6 | 111.3 | E85 A86 Y91 F92 D93 | E85-R89 VanDerWaalsContact CD-CZ 3.44Å; E85-R89 WeakPolarHBondContact O-CB 3.35Å; E85-R89 WeakPolarHBondContact O-CG 3.5Å; E85-R89 PolarHBondContact O-N 3.15Å; E85-R89 IonicContact OE1-CZ 3.86Å; E85-R89 IonicContact OE1-NH1 3.61Å; E85-R89 IonicContact OE1-NH2 3.36Å; E85-R89 PolarHBondContact OE1-NH2 3.45Å; E85-R89 IonicContact OE2-CZ 2.66Å; E85-R89 IonicContact OE2-NH1 3.35Å; E85-R89 PolarHBondContact OE2-NH1 3.49Å; E85-R89 IonicContact OE2-NH2 3.8Å; E85-R89 PolarHBondContact OE2-NH2 3.25Å; A86-R89 PolarHBondContact O-N 3.08Å; R89-Y91 VanDerWaalsContact C-N 3.29Å; R89-Y91 PolarHBondContact O-N 3.07Å; R89-F92 CarbonylContact O-C 3.55Å; R89-F92 PolarHBondContact O-N 3.42Å; R89-F92 VanDerWaalsContact O-N 3.1Å; R89-D93 PolarHBondContact O-N 3.14Å |
| 90 | D | 76.7 | Confident | 70.4 | Confident | 115 Ų | 115 | 102.6 Ų | 102.6 | 62% | 0.615 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -60.6 | -38.9 | 176.6 | -78.5 | -6.4 | 0 | 0 | 0 | 111.8 | A86 A94 | A86-D90 WeakPolarHBondContact O-CB 3.25Å; A86-D90 PolarHBondContact O-N 3.1Å; D90-A94 WeakPolarHBondContact O-CB 3.38Å; D90-A94 PolarHBondContact O-N 3.4Å |
| 91 | Y | 74.8 | Confident | 70.1 | Confident | 182 Ų | 182 | 103.8 Ų | 103.8 | 71% | 0.714 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.4 | -41.9 | 173.8 | -174.3 | -95.8 | 0 | 0 | 0 | 112.2 | T87 A88 R89 S95 | T87-Y91 WeakPolarHBondContact O-CB 3.42Å; T87-Y91 PolarHBondContact O-N 2.8Å; A88-Y91 PolarHBondContact O-N 3.06Å; R89-Y91 VanDerWaalsContact C-N 3.29Å; R89-Y91 PolarHBondContact O-N 3.07Å; Y91-S95 WeakPolarHBondContact O-CB 3.4Å; Y91-S95 PolarHBondContact O-N 2.88Å; Y91-S95 VanDerWaalsContact O-N 3.09Å |
| 92 | F | 70.8 | Confident | 69.7 | Low | 134 Ų | 134 | 102.4 Ų | 102.4 | 59% | 0.588 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -68.9 | -38.9 | 176.7 | -86.5 | -71.3 | 0 | 0 | 0 | 112.3 | A88 R89 S95 K96 | A88-F92 WeakPolarHBondContact O-CB 3.47Å; A88-F92 WeakPolarHBondContact O-CD2 3.24Å; A88-F92 PolarHBondContact O-N 2.94Å; R89-F92 CarbonylContact O-C 3.55Å; R89-F92 PolarHBondContact O-N 3.42Å; R89-F92 VanDerWaalsContact O-N 3.1Å; F92-S95 WeakPolarHBondContact O-CB 3.4Å; F92-S95 PolarHBondContact O-N 3.41Å; F92-S95 PolarHBondContact O-OG 3.18Å; F92-K96 PolarHBondContact O-N 2.99Å |
| 93 | D | 69.6 | Low | 69.2 | Low | 87 Ų | 87 | 99.2 Ų | 99.2 | 47% | 0.465 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -74.1 | -39.1 | 177.4 | -84.8 | -14.5 | 0 | 0 | 0 | 111.9 | R89 S95 K96 E97 | R89-D93 PolarHBondContact O-N 3.14Å; D93-S95 PolarHBondContact O-N 3.02Å; D93-S95 VanDerWaalsContact O-N 3.13Å; D93-K96 WeakPolarHBondContact O-CA 3.34Å; D93-K96 PolarHBondContact O-N 3.41Å; D93-K96 IonicContact OD1-NZ 2.86Å; D93-E97 PolarHBondContact O-N 3.06Å |
| 94 | A | 64.4 | Low | 69.4 | Low | 38 Ų | 38 | 103.6 Ų | 103.6 | 31% | 0.314 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62 | -21 | 169 | 0 | 0 | 0 | 0 | 0 | 112.8 | D90 K98 | D90-A94 WeakPolarHBondContact O-CB 3.38Å; D90-A94 PolarHBondContact O-N 3.4Å; A94-K98 VanDerWaalsContact O-CD 3.32Å; A94-K98 WeakPolarHBondContact O-CD 3.4Å; A94-K98 WeakPolarHBondContact O-CE 3Å; A94-K98 PolarHBondContact O-NZ 3.21Å |
| 95 | S | 60.1 | Low | 69.5 | Low | 60 Ų | 60 | 109.9 Ų | 109.9 | 42% | 0.42 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -81.5 | -30.7 | 170.8 | 86.6 | 0 | 0 | 0 | 0 | 112.8 | Y91 F92 D93 K98 | Y91-S95 WeakPolarHBondContact O-CB 3.4Å; Y91-S95 PolarHBondContact O-N 2.88Å; Y91-S95 VanDerWaalsContact O-N 3.09Å; F92-S95 WeakPolarHBondContact O-CB 3.4Å; F92-S95 PolarHBondContact O-N 3.41Å; F92-S95 PolarHBondContact O-OG 3.18Å; D93-S95 PolarHBondContact O-N 3.02Å; D93-S95 VanDerWaalsContact O-N 3.13Å; S95-K98 CarbonylContact O-C 3.49Å |
| 96 | K | 60.8 | Low | 69.7 | Low | 148 Ų | 148 | 108.8 Ų | 108.8 | 64% | 0.643 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -76 | -33.2 | 174.3 | -73.6 | -177.5 | -174.3 | 164 | 0 | 113.3 | F92 D93 K98 S99 | F92-K96 PolarHBondContact O-N 2.99Å; D93-K96 WeakPolarHBondContact O-CA 3.34Å; D93-K96 PolarHBondContact O-N 3.41Å; D93-K96 IonicContact OD1-NZ 2.86Å; K96-K98 PolarHBondContact O-N 3.44Å; K96-S99 WeakPolarHBondContact O-CA 3.14Å; K96-S99 WeakPolarHBondContact O-CB 3.42Å; K96-S99 PolarHBondContact O-N 3.23Å |
| 97 | E | 53.9 | Low | 69.9 | Low | 168 Ų | 168 | 111.2 Ų | 111.2 | 79% | 0.785 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -64.6 | -27.9 | 173.4 | -72.2 | -164.3 | 161.9 | 0 | 0 | 112 | D93 S99 | D93-E97 PolarHBondContact O-N 3.06Å; E97-S99 PolarHBondContact O-N 2.92Å |
| 98 | K | 53.4 | Low | 70 | Confident | 148 Ų | 148 | 111.8 Ų | 111.8 | 64% | 0.643 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | 46.5 | 166 | -62.9 | 152.7 | -163.4 | 156.3 | 0 | 110.1 | A94 S95 K96 | A94-K98 VanDerWaalsContact O-CD 3.32Å; A94-K98 WeakPolarHBondContact O-CD 3.4Å; A94-K98 WeakPolarHBondContact O-CE 3Å; A94-K98 PolarHBondContact O-NZ 3.21Å; S95-K98 CarbonylContact O-C 3.49Å; K96-K98 PolarHBondContact O-N 3.44Å |
| 99 | S | 53.4 | Low | 70.2 | Confident | 57 Ų | 57 | 112 Ų | 112 | 40% | 0.399 | 55% | 0.548 | S | S | . | . | trans | -47.6 | 130 | 172.3 | 156.5 | 0 | 0 | 0 | 0 | 108.9 | K96 E97 N101 S102 | K96-S99 WeakPolarHBondContact O-CA 3.14Å; K96-S99 WeakPolarHBondContact O-CB 3.42Å; K96-S99 PolarHBondContact O-N 3.23Å; E97-S99 PolarHBondContact O-N 2.92Å; S99-N101 PolarHBondContact O-N 3.12Å; S99-S102 WeakPolarHBondContact O-CB 3.24Å; S99-S102 PolarHBondContact O-N 2.89Å; S99-S102 PolarHBondContact O-OG 3.29Å | ||
| 100 | P | 58 | Low | 70.8 | Confident | 95 Ų | 95 | 109.3 Ų | 109.3 | 62% | 0.617 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -9.9 | -173.5 | 18.5 | -30.1 | 0 | 0 | 0 | 114 | R108 | P100-R108 WeakPolarHBondContact O-CD 3.38Š|
| 101 | N | 66.2 | Low | 71.3 | Confident | 117 Ų | 117 | 105.9 Ų | 105.9 | 63% | 0.626 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -22.2 | 174.3 | -157.4 | 28.1 | 0 | 0 | 0 | 114.3 | S99 L103 R108 | S99-N101 PolarHBondContact O-N 3.12Å; N101-L103 PolarHBondContact O-N 2.81Å; N101-R108 PolarHBondContact O-NH2 3.36Å; N101-R108 PolarHBondContact OD1-NH1 2.86Å |
| 102 | S | 70.3 | Confident | 71.8 | Confident | 84 Ų | 84 | 105.6 Ų | 105.6 | 59% | 0.587 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -71.3 | -19.2 | 176.2 | 67.6 | 0 | 0 | 0 | 0 | 113.1 | S99 | S99-S102 WeakPolarHBondContact O-CB 3.24Å; S99-S102 PolarHBondContact O-N 2.89Å; S99-S102 PolarHBondContact O-OG 3.29Å |
| 103 | L | 70.5 | Confident | 72.3 | Confident | 55 Ų | 55 | 106.7 Ų | 106.7 | 29% | 0.288 | 54% | 0.535 | S | S | . | . | S | Bend | trans | -73.7 | 134.8 | -178 | -67.2 | 174.1 | 0 | 0 | 0 | 111.3 | N101 Q107 R108 | N101-L103 PolarHBondContact O-N 2.81Å; L103-Q107 HydrophobicContact CB-CB 4.09Å; L103-Q107 HydrophobicContact CD2-CB 4.18Å; L103-R108 HydrophobicContact CB-CG 3.91Å; L103-R108 VanDerWaalsContact O-CZ 3.24Å; L103-R108 PolarHBondContact O-NE 3.17Å; L103-R108 PolarHBondContact O-NH2 3.46Å |
| 104 | R | 81.8 | Confident | 73 | Confident | 191 Ų | 191 | 104.7 Ų | 104.7 | 72% | 0.721 | 53% | 0.53 | S | S | * | . | trans | -56.1 | 149.5 | 171 | -73.2 | -177.9 | 151 | 121.7 | -3.6 | 109.8 | S106 Q107 R108 | R104-S106 PolarHBondContact O-N 3.22Å; R104-Q107 WeakPolarHBondContact O-CB 3.48Å; R104-Q107 PolarHBondContact O-N 3.13Å; R104-R108 PolarHBondContact O-N 2.87Å | ||
| 105 | R | 84 | Confident | 73.9 | Confident | 223 Ų | 223 | 109.2 Ų | 109.2 | 84% | 0.842 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -49.2 | -37.6 | -178.7 | -179.6 | 179.9 | -84.5 | -105.1 | 2.7 | 112.7 | A109 | R105-A109 PolarHBondContact O-N 3.2Å; R105-A109 VanDerWaalsContact O-N 3.1Å |
| 106 | S | 85.9 | Confident | 74.7 | Confident | 80 Ų | 80 | 112.6 Ų | 112.6 | 56% | 0.559 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -66.7 | -43 | 176.2 | 54.1 | 0 | 0 | 0 | 0 | 113.4 | R104 A109 S110 | R104-S106 PolarHBondContact O-N 3.22Å; S106-A109 PolarHBondContact O-N 2.94Å; S106-S110 PolarHBondContact O-N 3.34Å; S106-S110 PolarHBondContact O-OG 3.11Å |
| 107 | Q | 82.1 | Confident | 75.6 | Confident | 95 Ų | 95 | 113.2 Ų | 113.2 | 44% | 0.444 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65.4 | -39.4 | 176.6 | -69.9 | 169.3 | -34.8 | 0 | 0 | 111.3 | L103 R104 A109 S110 A111 | L103-Q107 HydrophobicContact CB-CB 4.09Å; L103-Q107 HydrophobicContact CD2-CB 4.18Å; R104-Q107 WeakPolarHBondContact O-CB 3.48Å; R104-Q107 PolarHBondContact O-N 3.13Å; Q107-A109 PolarHBondContact O-N 3.48Å; Q107-S110 PolarHBondContact O-N 2.95Å; Q107-A111 WeakPolarHBondContact O-CB 3.34Å; Q107-A111 PolarHBondContact O-N 3.07Å |
| 108 | R | 82.3 | Confident | 76.7 | Confident | 98 Ų | 98 | 110.7 Ų | 110.7 | 37% | 0.37 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -60.2 | -43.6 | 172.4 | -85.8 | -176.3 | -90.8 | -150.9 | -10.8 | 112.5 | P100 N101 L103 R104 A111 R112 | P100-R108 WeakPolarHBondContact O-CD 3.38Å; N101-R108 PolarHBondContact O-NH2 3.36Å; N101-R108 PolarHBondContact OD1-NH1 2.86Å; L103-R108 HydrophobicContact CB-CG 3.91Å; L103-R108 VanDerWaalsContact O-CZ 3.24Å; L103-R108 PolarHBondContact O-NE 3.17Å; L103-R108 PolarHBondContact O-NH2 3.46Å; R104-R108 PolarHBondContact O-N 2.87Å; R108-A111 PolarHBondContact O-N 3.24Å; R108-R112 PolarHBondContact O-N 3.44Å |
| 109 | A | 81.4 | Confident | 77.7 | Confident | 44 Ų | 44 | 113.4 Ų | 113.4 | 36% | 0.364 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.5 | -43.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | R105 S106 Q107 R112 R113 | R105-A109 PolarHBondContact O-N 3.2Å; R105-A109 VanDerWaalsContact O-N 3.1Å; S106-A109 PolarHBondContact O-N 2.94Å; Q107-A109 PolarHBondContact O-N 3.48Å; A109-R112 PolarHBondContact O-N 3.35Å; A109-R113 WeakPolarHBondContact O-CB 3.31Å; A109-R113 WeakPolarHBondContact O-CG 3.38Å; A109-R113 PolarHBondContact O-N 2.91Å |
| 110 | S | 87.3 | Confident | 78.1 | Confident | 76 Ų | 76 | 112.1 Ų | 112.1 | 53% | 0.531 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.6 | -41.9 | 175.2 | -66.8 | 0 | 0 | 0 | 0 | 112.4 | S106 Q107 R113 A114 | S106-S110 PolarHBondContact O-N 3.34Å; S106-S110 PolarHBondContact O-OG 3.11Å; Q107-S110 PolarHBondContact O-N 2.95Å; S110-R113 PolarHBondContact O-N 3.01Å; S110-A114 WeakPolarHBondContact O-CB 3.47Å; S110-A114 PolarHBondContact O-N 3.38Å |
| 111 | A | 86.7 | Confident | 78.2 | Confident | 43 Ų | 43 | 114 Ų | 114 | 36% | 0.355 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64 | -43.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | Q107 R108 A114 Q115 | Q107-A111 WeakPolarHBondContact O-CB 3.34Å; Q107-A111 PolarHBondContact O-N 3.07Å; R108-A111 PolarHBondContact O-N 3.24Å; A111-A114 PolarHBondContact O-N 3.45Å; A111-Q115 WeakPolarHBondContact O-CG 3.4Å; A111-Q115 PolarHBondContact O-N 2.97Å |
| 112 | R | 84 | Confident | 77.7 | Confident | 176 Ų | 176 | 114.2 Ų | 114.2 | 66% | 0.664 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.9 | -45.2 | 173.7 | -82.7 | -167.8 | 175.9 | -175.9 | -1.3 | 112.2 | R108 A109 A114 Q115 E116 | R108-R112 PolarHBondContact O-N 3.44Å; A109-R112 PolarHBondContact O-N 3.35Å; R112-A114 VanDerWaalsContact C-N 3.29Å; R112-A114 PolarHBondContact O-N 3.37Å; R112-Q115 PolarHBondContact O-N 3.33Å; R112-E116 WeakPolarHBondContact O-CB 3.48Å; R112-E116 WeakPolarHBondContact O-CG 3.46Å; R112-E116 PolarHBondContact O-N 2.87Å |
| 113 | R | 83.1 | Confident | 77.4 | Confident | 157 Ų | 157 | 116.3 Ų | 116.3 | 59% | 0.592 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63 | -35.8 | 175.8 | -73.9 | 177.4 | 177.8 | 176.7 | -1.5 | 112.3 | A109 S110 R117 | A109-R113 WeakPolarHBondContact O-CB 3.31Å; A109-R113 WeakPolarHBondContact O-CG 3.38Å; A109-R113 PolarHBondContact O-N 2.91Å; S110-R113 PolarHBondContact O-N 3.01Å; R113-R117 WeakPolarHBondContact O-CG 3.49Å; R113-R117 PolarHBondContact O-N 3.18Å |
| 114 | A | 83.6 | Confident | 76.8 | Confident | 45 Ų | 45 | 119 Ų | 119 | 37% | 0.372 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -68 | -43.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | S110 A111 R112 E116 R117 M118 | S110-A114 WeakPolarHBondContact O-CB 3.47Å; S110-A114 PolarHBondContact O-N 3.38Å; A111-A114 PolarHBondContact O-N 3.45Å; R112-A114 VanDerWaalsContact C-N 3.29Å; R112-A114 PolarHBondContact O-N 3.37Å; A114-E116 VanDerWaalsContact C-N 3.35Å; A114-E116 PolarHBondContact O-N 3.04Å; A114-R117 PolarHBondContact O-N 3.37Å; A114-M118 WeakPolarHBondContact O-CG 3.48Å; A114-M118 PolarHBondContact O-N 3.38Å |
| 115 | Q | 82.3 | Confident | 75.8 | Confident | 133 Ų | 133 | 114.2 Ų | 114.2 | 62% | 0.621 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.2 | -39.4 | 173.2 | -76 | -180 | -28.6 | 0 | 0 | 112.4 | A111 R112 R119 | A111-Q115 WeakPolarHBondContact O-CG 3.4Å; A111-Q115 PolarHBondContact O-N 2.97Å; R112-Q115 PolarHBondContact O-N 3.33Å; Q115-R119 WeakPolarHBondContact O-CB 3.25Å; Q115-R119 PolarHBondContact O-N 2.87Å |
| 116 | E | 77.7 | Confident | 74.4 | Confident | 132 Ų | 132 | 109.6 Ų | 109.6 | 62% | 0.617 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65.4 | -40.5 | 175.1 | -78 | 169.5 | -177.2 | 0 | 0 | 112.1 | R112 A114 R119 G120 | R112-E116 WeakPolarHBondContact O-CB 3.48Å; R112-E116 WeakPolarHBondContact O-CG 3.46Å; R112-E116 PolarHBondContact O-N 2.87Å; A114-E116 VanDerWaalsContact C-N 3.35Å; A114-E116 PolarHBondContact O-N 3.04Å; E116-R119 PolarHBondContact O-N 2.92Å; E116-G120 PolarHBondContact O-N 3.18Å |
| 117 | R | 79.1 | Confident | 73.1 | Confident | 160 Ų | 160 | 111.1 Ų | 111.1 | 60% | 0.604 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.1 | -50.7 | 174.2 | -75.1 | -175.9 | -173.6 | 107.8 | -3.3 | 111.9 | R113 A114 R119 G120 E121 | R113-R117 WeakPolarHBondContact O-CG 3.49Å; R113-R117 PolarHBondContact O-N 3.18Å; A114-R117 PolarHBondContact O-N 3.37Å; R117-R119 VanDerWaalsContact C-N 3.33Å; R117-R119 PolarHBondContact O-N 3.05Å; R117-G120 PolarHBondContact O-N 3.13Å; R117-E121 WeakPolarHBondContact O-CG 3.44Å; R117-E121 PolarHBondContact O-N 2.9Å |
| 118 | M | 77 | Confident | 71.8 | Confident | 115 Ų | 115 | 108.9 Ų | 108.9 | 57% | 0.567 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -58.5 | -46.4 | 176.8 | -73.4 | 172.2 | 42.2 | 0 | 0 | 111.1 | A114 G120 E121 F122 | A114-M118 WeakPolarHBondContact O-CG 3.48Å; A114-M118 PolarHBondContact O-N 3.38Å; M118-G120 PolarHBondContact O-N 3Å; M118-E121 PolarHBondContact O-N 3.44Å; M118-F122 WeakPolarHBondContact O-CD2 3.39Å; M118-F122 PolarHBondContact O-N 2.86Å |
| 119 | R | 75 | Confident | 70.4 | Confident | 205 Ų | 205 | 110.2 Ų | 110.2 | 77% | 0.774 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -69.5 | -32.5 | -178.2 | -167.8 | 175.1 | 179.1 | 172 | 0.5 | 113 | Q115 E116 R117 K123 | Q115-R119 WeakPolarHBondContact O-CB 3.25Å; Q115-R119 PolarHBondContact O-N 2.87Å; E116-R119 PolarHBondContact O-N 2.92Å; R117-R119 VanDerWaalsContact C-N 3.33Å; R117-R119 PolarHBondContact O-N 3.05Å; R119-K123 WeakPolarHBondContact O-CB 3.2Å; R119-K123 PolarHBondContact O-N 3.47Å; R119-K123 VanDerWaalsContact O-N 3.11Å |
| 120 | G | 62.1 | Low | 68.9 | Low | 30 Ų | 30 | 111.7 Ų | 111.7 | 31% | 0.309 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -65.6 | -48.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | E116 R117 M118 F122 K123 D124 | E116-G120 PolarHBondContact O-N 3.18Å; R117-G120 PolarHBondContact O-N 3.13Å; M118-G120 PolarHBondContact O-N 3Å; G120-F122 VanDerWaalsContact C-N 3.3Å; G120-F122 PolarHBondContact O-N 3.38Å; G120-K123 PolarHBondContact O-N 2.92Å; G120-D124 PolarHBondContact O-N 3.41Å |
| 121 | E | 59.9 | Low | 67.1 | Low | 134 Ų | 134 | 113.3 Ų | 113.3 | 63% | 0.626 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -59.6 | -39.4 | 177.6 | -71.2 | 168.2 | -161.9 | 0 | 0 | 112.1 | R117 M118 M125 | R117-E121 WeakPolarHBondContact O-CG 3.44Å; R117-E121 PolarHBondContact O-N 2.9Å; M118-E121 PolarHBondContact O-N 3.44Å; E121-M125 VanDerWaalsContact O-CB 3.31Å; E121-M125 WeakPolarHBondContact O-CB 3.41Å; E121-M125 PolarHBondContact O-N 3.47Å |
| 122 | F | 55.3 | Low | 65.1 | Low | 123 Ų | 123 | 116.3 Ų | 116.3 | 54% | 0.539 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -69.8 | -32.3 | 174.3 | -80.5 | -69.7 | 0 | 0 | 0 | 113.6 | M118 G120 M125 L126 | M118-F122 WeakPolarHBondContact O-CD2 3.39Å; M118-F122 PolarHBondContact O-N 2.86Å; G120-F122 VanDerWaalsContact C-N 3.3Å; G120-F122 PolarHBondContact O-N 3.38Å; F122-M125 HydrophobicContact CD1-CE 3.46Å; F122-M125 VanDerWaalsContact CD1-CE 3.46Å; F122-M125 HydrophobicContact CE1-CE 3.66Å; F122-L126 WeakPolarHBondContact O-CB 3.39Å; F122-L126 PolarHBondContact O-N 2.91Å |
| 123 | K | 65.1 | Low | 62.9 | Low | 128 Ų | 128 | 113.9 Ų | 113.9 | 56% | 0.557 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -73.1 | -42.5 | 179.1 | -175.9 | 156.7 | 179.1 | 176.3 | 0 | 111.3 | R119 G120 M125 L126 E127 | R119-K123 WeakPolarHBondContact O-CB 3.2Å; R119-K123 PolarHBondContact O-N 3.47Å; R119-K123 VanDerWaalsContact O-N 3.11Å; G120-K123 PolarHBondContact O-N 2.92Å; K123-M125 VanDerWaalsContact C-N 3.31Å; K123-M125 PolarHBondContact O-N 2.95Å; K123-L126 PolarHBondContact O-N 2.95Å; K123-E127 WeakPolarHBondContact CE-OE1 3.36Å; K123-E127 WeakPolarHBondContact O-CG 3.43Å; K123-E127 PolarHBondContact O-N 3.44Å |
| 124 | D | 57.9 | Low | 60.6 | Low | 110 Ų | 110 | 113 Ų | 113 | 59% | 0.588 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -66.1 | -35.3 | 175.5 | -66 | -12.1 | 0 | 0 | 0 | 111.2 | G120 E127 A128 | G120-D124 PolarHBondContact O-N 3.41Å; D124-E127 PolarHBondContact O-N 2.93Å; D124-A128 VanDerWaalsContact O-CB 3.26Å; D124-A128 WeakPolarHBondContact O-CB 3.49Å; D124-A128 PolarHBondContact O-N 3.5Å |
| 125 | M | 59.9 | Low | 58 | Low | 91 Ų | 91 | 114.4 Ų | 114.4 | 45% | 0.448 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -68.3 | -40.2 | 174.1 | -171.3 | 171.6 | 61 | 0 | 0 | 112.6 | E121 F122 K123 E127 A128 E129 | E121-M125 VanDerWaalsContact O-CB 3.31Å; E121-M125 WeakPolarHBondContact O-CB 3.41Å; E121-M125 PolarHBondContact O-N 3.47Å; F122-M125 HydrophobicContact CD1-CE 3.46Å; F122-M125 VanDerWaalsContact CD1-CE 3.46Å; F122-M125 HydrophobicContact CE1-CE 3.66Å; K123-M125 VanDerWaalsContact C-N 3.31Å; K123-M125 PolarHBondContact O-N 2.95Å; M125-E127 VanDerWaalsContact C-N 3.33Å; M125-E127 PolarHBondContact O-N 2.84Å; M125-A128 PolarHBondContact O-N 3.27Å; M125-E129 WeakPolarHBondContact O-CG 3.3Å; M125-E129 PolarHBondContact O-N 3.38Å |
| 126 | L | 55.6 | Low | 55.5 | Low | 126 Ų | 126 | 117.2 Ų | 117.2 | 66% | 0.66 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -66 | -34.2 | 174.7 | -110.7 | 147 | 0 | 0 | 0 | 112.5 | F122 K123 A130 | F122-L126 WeakPolarHBondContact O-CB 3.39Å; F122-L126 PolarHBondContact O-N 2.91Å; K123-L126 PolarHBondContact O-N 2.95Å; L126-A130 PolarHBondContact O-N 3.14Å |
| 127 | E | 56.7 | Low | 53.2 | Low | 113 Ų | 113 | 119.9 Ų | 119.9 | 53% | 0.528 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -76.1 | -32.5 | 174.9 | -70 | 179.3 | -164.6 | 0 | 0 | 112.1 | K123 D124 M125 T131 | K123-E127 WeakPolarHBondContact CE-OE1 3.36Å; K123-E127 WeakPolarHBondContact O-CG 3.43Å; K123-E127 PolarHBondContact O-N 3.44Å; D124-E127 PolarHBondContact O-N 2.93Å; M125-E127 VanDerWaalsContact C-N 3.33Å; M125-E127 PolarHBondContact O-N 2.84Å; E127-T131 PolarHBondContact O-OG1 3.36Å |
| 128 | A | 55.5 | Low | 50.9 | Low | 47 Ų | 47 | 123.6 Ų | 123.6 | 39% | 0.388 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -69 | -41.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | D124 M125 A130 T131 T132 | D124-A128 VanDerWaalsContact O-CB 3.26Å; D124-A128 WeakPolarHBondContact O-CB 3.49Å; D124-A128 PolarHBondContact O-N 3.5Å; M125-A128 PolarHBondContact O-N 3.27Å; A128-A130 VanDerWaalsContact C-N 3.27Å; A128-A130 PolarHBondContact O-N 3.4Å; A128-T131 PolarHBondContact O-N 2.93Å; A128-T131 VanDerWaalsContact O-N 3.15Å; A128-T131 PolarHBondContact O-OG1 3.47Å; A128-T132 PolarHBondContact O-N 3.45Å; A128-T132 PolarHBondContact O-OG1 3.18Å |
| 129 | E | 52.6 | Low | 48.9 | Very low | 126 Ų | 126 | 124.1 Ų | 124.1 | 59% | 0.589 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -66.2 | -28.7 | 177.1 | -74.7 | -174.2 | 174.8 | 0 | 0 | 112.8 | M125 T131 | M125-E129 WeakPolarHBondContact O-CG 3.3Å; M125-E129 PolarHBondContact O-N 3.38Å; E129-T131 VanDerWaalsContact C-N 3.26Å; E129-T131 PolarHBondContact O-N 3.47Å |
| 130 | A | 50.6 | Low | 46.8 | Very low | 76 Ų | 76 | 123.3 Ų | 123.3 | 63% | 0.628 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -69.7 | -20.1 | 175 | 0 | 0 | 0 | 0 | 0 | 113.6 | L126 A128 | L126-A130 PolarHBondContact O-N 3.14Å; A128-A130 VanDerWaalsContact C-N 3.27Å; A128-A130 PolarHBondContact O-N 3.4Å |
| 131 | T | 49.5 | Very low | 45.5 | Very low | 109 Ų | 109 | 129 Ų | 129 | 67% | 0.669 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -106.9 | -14.5 | -176.3 | 46.1 | 0 | 0 | 0 | 0 | 114.8 | E127 A128 E129 | E127-T131 PolarHBondContact O-OG1 3.36Å; A128-T131 PolarHBondContact O-N 2.93Å; A128-T131 VanDerWaalsContact O-N 3.15Å; A128-T131 PolarHBondContact O-OG1 3.47Å; E129-T131 VanDerWaalsContact C-N 3.26Å; E129-T131 PolarHBondContact O-N 3.47Å |
| 132 | T | 45.4 | Very low | 44.8 | Very low | 107 Ų | 107 | 130.3 Ų | 130.3 | 66% | 0.656 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | 8.6 | -176.1 | 51.8 | 0 | 0 | 0 | 0 | 116 | A128 V134 | A128-T132 PolarHBondContact O-N 3.45Å; A128-T132 PolarHBondContact O-OG1 3.18Å; T132-V134 PolarHBondContact O-N 3.33Å |
| 133 | T | 37.8 | Very low | 43.8 | Very low | 124 Ų | 124 | 131.6 Ų | 131.6 | 76% | 0.761 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | 3.6 | 175.3 | 49.8 | 0 | 0 | 0 | 0 | 114.7 | ||
| 134 | V | 33.8 | Very low | 42.6 | Very low | 138 Ų | 138 | 131 Ų | 131 | 84% | 0.836 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -119.2 | 83.5 | 174.2 | -171.7 | 0 | 0 | 0 | 0 | 110 | T132 | T132-V134 PolarHBondContact O-N 3.33Š|
| 135 | G | 29.7 | Very low | 41.5 | Very low | 75 Ų | 75 | 134.8 Ų | 134.8 | 77% | 0.773 | 74% | 0.736 | S | S | * | * | trans | -175 | 24.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | K137 | G135-K137 PolarHBondContact O-N 2.89Š| ||
| 136 | M | 29.4 | Very low | 40.7 | Very low | 193 Ų | 193 | 137 Ų | 137 | 95% | 0.951 | 76% | 0.755 | S | S | * | * | trans | -85.5 | 96.7 | 176.9 | -159.3 | 96.1 | 133.4 | 0 | 0 | 109.9 | ||||
| 137 | K | 30.3 | Very low | 39.8 | Very low | 188 Ų | 188 | 135.9 Ų | 135.9 | 82% | 0.817 | 76% | 0.763 | S | S | * | * | trans | -157.5 | 97 | 159.2 | -129.4 | 173.2 | -179 | 176.6 | 0 | 113.5 | G135 | G135-K137 PolarHBondContact O-N 2.89Š| ||
| 138 | R | 30.5 | Very low | 39.1 | Very low | 238 Ų | 238 | 136 Ų | 136 | 90% | 0.898 | 78% | 0.777 | S | S | * | * | 38.4 | 118.7 | 129 | -57.4 | 179.1 | 177.8 | 176.2 | -1.3 | 118.7 | |||||
| 139 | S | 34.3 | Very low | 38.2 | Very low | 126 Ų | 126 | 142.7 Ų | 142.7 | 88% | 0.881 | 80% | 0.8 | S | S | * | * | -149.7 | 119.3 | 127.8 | 56.5 | 0 | 0 | 0 | 0 | 110 | |||||
| 140 | K | 30.2 | Very low | 37.7 | Very low | 188 Ų | 188 | 144.2 Ų | 144.2 | 82% | 0.817 | 81% | 0.812 | S | S | * | * | trans | -95.2 | 133.2 | 168.8 | 161 | -176.9 | 174.3 | 168.9 | 0 | 105.6 | ||||
| 141 | D | 35.4 | Very low | 37 | Very low | 149 Ų | 149 | 146.7 Ų | 146.7 | 80% | 0.797 | 81% | 0.814 | S | S | * | * | trans | 159.2 | 115.8 | 148.8 | -80.7 | -15.3 | 0 | 0 | 0 | 108.8 | ||||
| 142 | D | 46 | Very low | 36.4 | Very low | 161 Ų | 161 | 146 Ų | 146 | 86% | 0.861 | 81% | 0.814 | S | S | * | * | trans | -162.9 | 111.3 | 137 | -149.8 | 3.8 | 0 | 0 | 0 | 110.1 | ||||
| 143 | D | 34.3 | Very low | 36 | Very low | 151 Ų | 151 | 149.4 Ų | 149.4 | 81% | 0.807 | 82% | 0.822 | S | S | * | * | trans | -88.5 | 139.5 | 166.1 | -79.1 | -47 | 0 | 0 | 0 | 108.1 | ||||
| 144 | S | 38.5 | Very low | 36.2 | Very low | 114 Ų | 114 | 155.3 Ų | 155.3 | 80% | 0.797 | 83% | 0.831 | S | S | * | * | 163.3 | 137.5 | 125.1 | 50.8 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 145 | E | 35.8 | Very low | 36.4 | Very low | 190 Ų | 190 | 156.1 Ų | 156.1 | 89% | 0.888 | 83% | 0.829 | S | S | * | * | trans | -69.4 | 139.1 | 173.6 | -55.4 | 173.9 | 152.5 | 0 | 0 | 111.2 | ||||
| 146 | T | 42.6 | Very low | 36.8 | Very low | 138 Ų | 138 | 158.5 Ų | 158.5 | 85% | 0.847 | 83% | 0.833 | S | S | * | * | trans | -136.6 | 90.6 | 158.2 | 26.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 147 | A | 37.5 | Very low | 37.2 | Very low | 102 Ų | 102 | 154 Ų | 154 | 84% | 0.843 | 83% | 0.826 | S | S | * | * | trans | -65.4 | 128.4 | 153.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 148 | S | 40.9 | Very low | 37.3 | Very low | 115 Ų | 115 | 153 Ų | 153 | 80% | 0.804 | 83% | 0.825 | S | S | * | * | trans | -134.4 | 108.2 | 156.4 | 52.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 149 | E | 36.8 | Very low | 37.3 | Very low | 188 Ų | 188 | 148.6 Ų | 148.6 | 88% | 0.879 | 81% | 0.813 | S | S | * | * | trans | -85.9 | 114.9 | 167.4 | -170 | 179.5 | -159.1 | 0 | 0 | 106.5 | ||||
| 150 | L | 42.2 | Very low | 37.7 | Very low | 159 Ų | 159 | 148.2 Ų | 148.2 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | trans | -147.9 | 95.9 | 162 | -75.5 | 178.7 | 0 | 0 | 0 | 105.5 | ||||
| 151 | D | 35.7 | Very low | 38.5 | Very low | 128 Ų | 128 | 148.5 Ų | 148.5 | 68% | 0.684 | 81% | 0.81 | S | S | * | * | 68.8 | 111.5 | 83 | -167.9 | 9.2 | 0 | 0 | 0 | 112.8 | |||||
| 152 | S | 38.1 | Very low | 39.3 | Very low | 94 Ų | 94 | 151 Ų | 151 | 66% | 0.657 | 81% | 0.813 | S | S | * | * | 149.2 | 87.9 | 126 | -80.2 | 0 | 0 | 0 | 0 | 111.6 | R154 | S152-R154 PolarHBondContact O-N 2.85Š| |||
| 153 | E | 37.2 | Very low | 39.7 | Very low | 179 Ų | 179 | 148.6 Ų | 148.6 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | 20.8 | 98.3 | 119.8 | -53.6 | -159.9 | 154 | 0 | 0 | 116.1 | |||||
| 154 | R | 42.2 | Very low | 40.8 | Very low | 248 Ų | 248 | 152 Ų | 152 | 94% | 0.936 | 79% | 0.794 | S | S | * | * | trans | -110.6 | 101.5 | 152.2 | -112.7 | -175.5 | -179.5 | -165.1 | 0.9 | 109 | S152 | S152-R154 PolarHBondContact O-N 2.85Š| ||
| 155 | L | 36.4 | Very low | 41.7 | Very low | 155 Ų | 155 | 149 Ų | 149 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | trans | -37.5 | 133 | 161.9 | -63 | 156.6 | 0 | 0 | 0 | 112.5 | ||||
| 156 | C | 37.8 | Very low | 42.9 | Very low | 124 Ų | 124 | 142.9 Ų | 142.9 | 84% | 0.838 | 75% | 0.754 | S | S | * | * | 172.9 | 114.9 | 115.5 | -91.3 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 157 | A | 38.2 | Very low | 43.7 | Very low | 98 Ų | 98 | 139.7 Ų | 139.7 | 81% | 0.81 | 73% | 0.732 | S | S | * | * | trans | 67.8 | 99.9 | 136 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 158 | E | 32.9 | Very low | 44.9 | Very low | 169 Ų | 169 | 143 Ų | 143 | 79% | 0.79 | 74% | 0.736 | S | S | * | * | 37.8 | 121.6 | 125.4 | -100.7 | -169.1 | 147.9 | 0 | 0 | 122.4 | |||||
| 159 | H | 31.1 | Very low | 46.1 | Very low | 144 Ų | 144 | 141.7 Ų | 141.7 | 67% | 0.667 | 72% | 0.723 | S | S | * | * | trans | 81.6 | 140.8 | 147 | -76.4 | -63.5 | 0 | 0 | 0 | 120.9 | ||||
| 160 | P | 41.5 | Very low | 47.5 | Very low | 119 Ų | 119 | 142.6 Ų | 142.6 | 77% | 0.773 | 72% | 0.72 | S | S | * | * | cis | -120.3 | 166.8 | 21.4 | 33.5 | -15.3 | 0 | 0 | 0 | 116.3 | K162 | P160-K162 PolarHBondContact O-N 3.33Š| ||
| 161 | K | 47.5 | Very low | 48.6 | Very low | 194 Ų | 194 | 138.2 Ų | 138.2 | 84% | 0.843 | 70% | 0.697 | S | S | * | * | trans | -24.9 | 112.2 | 179.4 | -77.2 | 162.8 | 171.9 | 172.7 | 0 | 114.2 | R163 | K161-R163 PolarHBondContact O-N 2.99Š| ||
| 162 | K | 51.5 | Low | 50.2 | Low | 202 Ų | 202 | 136.5 Ų | 136.5 | 88% | 0.878 | 69% | 0.688 | S | S | * | * | trans | -59 | 111.2 | 162.5 | -65 | -179 | -179.9 | -179.9 | 0 | 107.5 | P160 R164 | P160-K162 PolarHBondContact O-N 3.33Å; K162-R164 PolarHBondContact O-N 3.15Å | ||
| 163 | R | 54.5 | Low | 51.7 | Low | 109 Ų | 109 | 137.9 Ų | 137.9 | 41% | 0.411 | 69% | 0.694 | S | S | . | * | P | Polyproline II helix | trans | -51.5 | 120.6 | 168.9 | -83.8 | 163.2 | 58.4 | 111.9 | -15 | 107.7 | K161 E182 G186 V188 | K161-R163 PolarHBondContact O-N 2.99Å; R163-E182 IonicContact CZ-OE1 2.88Å; R163-E182 VanDerWaalsContact NH1-CD 3.27Å; R163-E182 IonicContact NH1-OE1 3.84Å; R163-E182 PolarHBondContact NH1-OE1 3Å; R163-E182 IonicContact NH2-OE1 2.99Å; R163-G186 VanDerWaalsContact CZ-O 3.25Å; R163-G186 PolarHBondContact NH1-O 3.22Å; R163-V188 HydrophobicContact CB-CG2 4Å; R163-V188 VanDerWaalsContact CZ-CG2 3.43Å |
| 164 | R | 57.2 | Low | 53.4 | Low | 223 Ų | 223 | 132.6 Ų | 132.6 | 84% | 0.842 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 135 | 171 | -69 | -178.6 | 179 | 171.2 | -1.7 | 107.5 | K162 | K162-R164 PolarHBondContact O-N 3.15Š|
| 165 | S | 57.7 | Low | 54.6 | Low | 50 Ų | 50 | 124.2 Ų | 124.2 | 35% | 0.35 | 66% | 0.661 | S | S | . | * | B | Isolated β-bridge | trans | -63.7 | 142.2 | 163.6 | 48.9 | 0 | 0 | 0 | 0 | 108.7 | N167 V188 | S165-N167 PolarHBondContact OG-O 3.21Å; S165-V188 WeakPolarHBondContact CA-O 3.39Å |
| 166 | A | 61.3 | Low | 55.9 | Low | 62 Ų | 62 | 121.5 Ų | 121.5 | 51% | 0.512 | 66% | 0.655 | S | S | . | * | S | Bend | trans | -65.4 | -34.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | V187 V188 V189 | A166-V187 HydrophobicContact CB-CG1 3.68Å; A166-V188 PolarHBondContact N-O 3.26Å; A166-V188 VanDerWaalsContact N-O 3.08Å; A166-V189 HydrophobicContact CB-CG2 4.33Å |
| 167 | N | 60 | Low | 57 | Low | 72 Ų | 72 | 122 Ų | 122 | 39% | 0.385 | 65% | 0.645 | S | S | . | * | S | Bend | trans | -107.4 | 125.2 | -177.4 | -65.8 | -21.2 | 0 | 0 | 0 | 109.6 | S165 V169 | S165-N167 PolarHBondContact OG-O 3.21Å; N167-V169 HydrophobicContact CB-CG2 3.9Å; N167-V169 PolarHBondContact O-N 3.42Å |
| 168 | D | 61.6 | Low | 58.3 | Low | 171 Ų | 171 | 121.8 Ų | 121.8 | 91% | 0.914 | 63% | 0.626 | S | S | * | * | trans | -82.1 | 50.7 | 174.5 | -159.3 | 18.5 | 0 | 0 | 0 | 110.4 | ||||
| 169 | V | 66.7 | Low | 59.7 | Low | 87 Ų | 87 | 115.4 Ų | 115.4 | 53% | 0.527 | 60% | 0.603 | S | S | . | * | P | Polyproline II helix | trans | -87.9 | 123.4 | -178.6 | 174.3 | 0 | 0 | 0 | 0 | 108.7 | N167 L171 | N167-V169 HydrophobicContact CB-CG2 3.9Å; N167-V169 PolarHBondContact O-N 3.42Å; V169-L171 PolarHBondContact O-N 3.37Å |
| 170 | Y | 65.4 | Low | 61.6 | Low | 207 Ų | 207 | 113.2 Ų | 113.2 | 81% | 0.812 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 117.3 | 174.6 | -174.2 | -95.8 | 0 | 0 | 0 | 110 | ||
| 171 | L | 65.9 | Low | 62.9 | Low | 67 Ų | 67 | 110.9 Ų | 110.9 | 35% | 0.351 | 57% | 0.573 | S | S | . | * | P | Polyproline II helix | trans | -82.7 | 126.3 | 175.7 | -61.5 | 175.9 | 0 | 0 | 0 | 109.9 | V169 P173 F178 F190 | V169-L171 PolarHBondContact O-N 3.37Å; L171-P173 WeakPolarHBondContact O-CD 3.48Å; L171-F178 HydrophobicContact CD1-CE2 4.48Å; L171-F178 HydrophobicContact CD2-CB 4.38Å; L171-F178 HydrophobicContact CD2-CD1 4.5Å; L171-F178 HydrophobicContact CD2-CG 4.24Å; L171-F190 HydrophobicContact CD1-CE1 3.59Å; L171-F190 HydrophobicContact CD1-CZ 3.74Å; L171-F190 HydrophobicContact CD2-CD1 3.88Å; L171-F190 HydrophobicContact CD2-CE1 3.76Å; L171-F190 HydrophobicContact CD2-CG 4.46Å; L171-F190 HydrophobicContact CD2-CZ 4.22Å; L171-F190 HydrophobicContact CG-CE1 4.11Å; L171-F190 HydrophobicContact CG-CZ 4.19Å |
| 172 | D | 69.7 | Low | 64.1 | Low | 93 Ų | 93 | 107.7 Ų | 107.7 | 50% | 0.497 | 56% | 0.562 | S | S | . | * | P | Polyproline II helix | trans | -74.6 | 119.8 | 166.7 | 177.7 | 12.8 | 0 | 0 | 0 | 109.8 | G174 N175 | D172-G174 PolarHBondContact O-N 2.85Å; D172-G174 PolarHBondContact OD1-N 3.36Å; D172-N175 HydrophobicContact CB-CB 4Å; D172-N175 PolarHBondContact O-N 2.91Å |
| 173 | P | 69.7 | Low | 64.8 | Low | 123 Ų | 123 | 101.6 Ų | 101.6 | 80% | 0.799 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -22.4 | 174.9 | -20.3 | 31.9 | 0 | 0 | 0 | 114 | L171 N175 | L171-P173 WeakPolarHBondContact O-CD 3.48Å; P173-N175 VanDerWaalsContact C-N 3.32Å |
| 174 | G | 73.5 | Confident | 65.6 | Low | 67 Ų | 67 | 103.7 Ų | 103.7 | 69% | 0.691 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -13.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114 | D172 | D172-G174 PolarHBondContact O-N 2.85Å; D172-G174 PolarHBondContact OD1-N 3.36Å |
| 175 | N | 66 | Low | 66.5 | Low | 73 Ų | 73 | 100.3 Ų | 100.3 | 39% | 0.39 | 56% | 0.562 | S | S | . | * | trans | -97.6 | 109.5 | -178.6 | -171.3 | -5 | 0 | 0 | 0 | 110.6 | D172 P173 H177 | D172-N175 HydrophobicContact CB-CB 4Å; D172-N175 PolarHBondContact O-N 2.91Å; P173-N175 VanDerWaalsContact C-N 3.32Å; N175-H177 VanDerWaalsContact C-N 3.25Å; N175-H177 PolarHBondContact O-N 3.38Å; N175-H177 WeakPolarHBondContact OD1-CB 3.28Å; N175-H177 PolarHBondContact OD1-N 2.92Å | ||
| 176 | S | 63.7 | Low | 67 | Low | 98 Ų | 98 | 99 Ų | 99 | 69% | 0.685 | 56% | 0.556 | S | S | * | * | trans | -80.2 | -1.7 | 176.2 | 53 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 177 | H | 60.5 | Low | 67.5 | Low | 134 Ų | 134 | 98.5 Ų | 98.5 | 62% | 0.62 | 55% | 0.547 | S | S | * | . | trans | -104.3 | 56.5 | -169.6 | -57.6 | -77.5 | 0 | 0 | 0 | 112.4 | N175 | N175-H177 VanDerWaalsContact C-N 3.25Å; N175-H177 PolarHBondContact O-N 3.38Å; N175-H177 WeakPolarHBondContact OD1-CB 3.28Å; N175-H177 PolarHBondContact OD1-N 2.92Å | ||
| 178 | F | 65.6 | Low | 67.7 | Low | 93 Ų | 93 | 96.1 Ų | 96.1 | 41% | 0.408 | 53% | 0.534 | S | S | . | . | trans | -119 | 128.7 | 165.7 | 64.4 | -89.6 | 0 | 0 | 0 | 109.9 | L171 I180 F190 | L171-F178 HydrophobicContact CD1-CE2 4.48Å; L171-F178 HydrophobicContact CD2-CB 4.38Å; L171-F178 HydrophobicContact CD2-CD1 4.5Å; L171-F178 HydrophobicContact CD2-CG 4.24Å; F178-I180 HydrophobicContact CD2-CD1 4.1Å; F178-I180 HydrophobicContact CD2-CG1 3.99Å; F178-I180 HydrophobicContact CE2-CD1 3.73Å; F178-I180 HydrophobicContact CE2-CG1 4.15Å; F178-F190 HydrophobicContact CD2-CD1 4.4Å; F178-F190 HydrophobicContact CD2-CE1 4.35Å | ||
| 179 | A | 63.2 | Low | 68.1 | Low | 36 Ų | 36 | 89.3 Ų | 89.3 | 30% | 0.298 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 135.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | L191 | A179-L191 HydrophobicContact CB-CB 4.12Å; A179-L191 HydrophobicContact CB-CD1 4.06Å; A179-L191 HydrophobicContact CB-CG 4.43Å; A179-L191 PolarHBondContact O-N 3.44Å |
| 180 | I | 70 | Confident | 68.2 | Low | 98 Ų | 98 | 86.8 Ų | 86.8 | 50% | 0.503 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 119.8 | 177.1 | -69 | 169 | 0 | 0 | 0 | 107.9 | F178 V188 F190 | F178-I180 HydrophobicContact CD2-CD1 4.1Å; F178-I180 HydrophobicContact CD2-CG1 3.99Å; F178-I180 HydrophobicContact CE2-CD1 3.73Å; F178-I180 HydrophobicContact CE2-CG1 4.15Å; I180-V188 HydrophobicContact CG2-CG1 3.34Å; I180-F190 HydrophobicContact CD1-CE1 4.34Å; I180-F190 HydrophobicContact CG1-CD1 4.19Å; I180-F190 HydrophobicContact CG1-CE1 4.05Å |
| 181 | Q | 69 | Low | 68.2 | Low | 69 Ų | 69 | 78.2 Ų | 78.2 | 32% | 0.322 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 139.5 | 170.6 | -171.2 | 162.6 | 11.1 | 0 | 0 | 110.3 | V189 L191 S199 | Q181-V189 PolarHBondContact N-O 3.32Å; Q181-V189 PolarHBondContact O-N 2.96Å; Q181-L191 HydrophobicContact CB-CD1 4.12Å; Q181-L191 HydrophobicContact CB-CD2 4.28Å; Q181-L191 HydrophobicContact CB-CG 4.23Å; Q181-S199 PolarHBondContact OE1-OG 2.99Å |
| 182 | E | 72.5 | Confident | 68.1 | Low | 128 Ų | 128 | 79.1 Ų | 79.1 | 60% | 0.598 | 46% | 0.461 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 119.3 | 169.2 | 175.5 | 168.6 | -152.6 | 0 | 0 | 109 | R163 V187 | R163-E182 IonicContact CZ-OE1 2.88Å; R163-E182 VanDerWaalsContact NH1-CD 3.27Å; R163-E182 IonicContact NH1-OE1 3.84Å; R163-E182 PolarHBondContact NH1-OE1 3Å; R163-E182 IonicContact NH2-OE1 2.99Å; E182-V187 WeakPolarHBondContact CA-O 3.39Å |
| 183 | D | 67.4 | Low | 67.9 | Low | 74 Ų | 74 | 80.6 Ų | 80.6 | 40% | 0.396 | 47% | 0.469 | S | S | . | . | trans | -72.8 | 162.6 | 170 | -76.3 | -23.2 | 0 | 0 | 0 | 111.1 | D185 G186 V187 V189 | D183-D185 PolarHBondContact O-N 3.07Å; D183-D185 VanDerWaalsContact O-N 3.09Å; D183-G186 PolarHBondContact O-N 3.32Å; D183-V187 HydrophobicContact CB-CB 4.32Å; D183-V187 PolarHBondContact N-O 2.98Å; D183-V189 VanDerWaalsContact OD2-CG2 3.24Å; D183-V189 WeakPolarHBondContact OD2-CG2 3.49Å | ||
| 184 | V | 71.2 | Confident | 67.3 | Low | 152 Ų | 152 | 81.6 Ų | 81.6 | 92% | 0.921 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -27.6 | -179.1 | -155.9 | 0 | 0 | 0 | 0 | 112.5 | G186 | V184-G186 VanDerWaalsContact C-N 3.29Å; V184-G186 PolarHBondContact O-N 3.21Å |
| 185 | D | 75.6 | Confident | 66.7 | Low | 153 Ų | 153 | 80 Ų | 80 | 82% | 0.818 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | 6.5 | 177.9 | -62.9 | -38.6 | 0 | 0 | 0 | 113.6 | D183 V187 | D183-D185 PolarHBondContact O-N 3.07Å; D183-D185 VanDerWaalsContact O-N 3.09Å; D185-V187 VanDerWaalsContact C-N 3.35Å; D185-V187 HydrophobicContact CB-CG2 4.42Å |
| 186 | G | 68.2 | Low | 66.3 | Low | 23 Ų | 23 | 81.3 Ų | 81.3 | 24% | 0.237 | 45% | 0.45 | C | S | . | . | S | Bend | trans | 74.9 | 23.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | R163 D183 V184 | R163-G186 VanDerWaalsContact CZ-O 3.25Å; R163-G186 PolarHBondContact NH1-O 3.22Å; D183-G186 PolarHBondContact O-N 3.32Å; V184-G186 VanDerWaalsContact C-N 3.29Å; V184-G186 PolarHBondContact O-N 3.21Å |
| 187 | V | 71.8 | Confident | 65.8 | Low | 51 Ų | 51 | 81.7 Ų | 81.7 | 31% | 0.309 | 45% | 0.448 | S | S | . | . | trans | -87.9 | 136.9 | 174.6 | -179.8 | 0 | 0 | 0 | 0 | 109.4 | A166 E182 D183 D185 V189 | A166-V187 HydrophobicContact CB-CG1 3.68Å; E182-V187 WeakPolarHBondContact CA-O 3.39Å; D183-V187 HydrophobicContact CB-CB 4.32Å; D183-V187 PolarHBondContact N-O 2.98Å; D185-V187 VanDerWaalsContact C-N 3.35Å; D185-V187 HydrophobicContact CB-CG2 4.42Å; V187-V189 HydrophobicContact CG1-CG2 4.41Å | ||
| 188 | V | 65.5 | Low | 65.7 | Low | 21 Ų | 21 | 80.3 Ų | 80.3 | 13% | 0.127 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 117.7 | 175.4 | -170.5 | 0 | 0 | 0 | 0 | 107.9 | R163 S165 A166 I180 | R163-V188 HydrophobicContact CB-CG2 4Å; R163-V188 VanDerWaalsContact CZ-CG2 3.43Å; S165-V188 WeakPolarHBondContact CA-O 3.39Å; A166-V188 PolarHBondContact N-O 3.26Å; A166-V188 VanDerWaalsContact N-O 3.08Å; I180-V188 HydrophobicContact CG2-CG1 3.34Å |
| 189 | V | 69.6 | Low | 65.8 | Low | 29 Ų | 29 | 77.5 Ų | 77.5 | 18% | 0.176 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 129.9 | 173.4 | -174.9 | 0 | 0 | 0 | 0 | 109.2 | A166 Q181 D183 V187 L191 | A166-V189 HydrophobicContact CB-CG2 4.33Å; Q181-V189 PolarHBondContact N-O 3.32Å; Q181-V189 PolarHBondContact O-N 2.96Å; D183-V189 VanDerWaalsContact OD2-CG2 3.24Å; D183-V189 WeakPolarHBondContact OD2-CG2 3.49Å; V187-V189 HydrophobicContact CG1-CG2 4.41Å; V189-L191 HydrophobicContact CG1-CD2 4.49Å |
| 190 | F | 68.5 | Low | 66.2 | Low | 34 Ų | 34 | 80 Ų | 80 | 15% | 0.149 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 119.8 | 167.8 | -66.9 | -70.2 | 0 | 0 | 0 | 108.4 | L171 F178 I180 | L171-F190 HydrophobicContact CD1-CE1 3.59Å; L171-F190 HydrophobicContact CD1-CZ 3.74Å; L171-F190 HydrophobicContact CD2-CD1 3.88Å; L171-F190 HydrophobicContact CD2-CE1 3.76Å; L171-F190 HydrophobicContact CD2-CG 4.46Å; L171-F190 HydrophobicContact CD2-CZ 4.22Å; L171-F190 HydrophobicContact CG-CE1 4.11Å; L171-F190 HydrophobicContact CG-CZ 4.19Å; F178-F190 HydrophobicContact CD2-CD1 4.4Å; F178-F190 HydrophobicContact CD2-CE1 4.35Å; I180-F190 HydrophobicContact CD1-CE1 4.34Å; I180-F190 HydrophobicContact CG1-CD1 4.19Å; I180-F190 HydrophobicContact CG1-CE1 4.05Å |
| 191 | L | 64.6 | Low | 66.6 | Low | 26 Ų | 26 | 82.1 Ų | 82.1 | 14% | 0.136 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 117.7 | 171.9 | -56.4 | -177.1 | 0 | 0 | 0 | 107.5 | A179 Q181 V189 | A179-L191 HydrophobicContact CB-CB 4.12Å; A179-L191 HydrophobicContact CB-CD1 4.06Å; A179-L191 HydrophobicContact CB-CG 4.43Å; A179-L191 PolarHBondContact O-N 3.44Å; Q181-L191 HydrophobicContact CB-CD1 4.12Å; Q181-L191 HydrophobicContact CB-CD2 4.28Å; Q181-L191 HydrophobicContact CB-CG 4.23Å; V189-L191 HydrophobicContact CG1-CD2 4.49Å |
| 192 | S | 64 | Low | 67.3 | Low | 87 Ų | 87 | 82.3 Ų | 82.3 | 61% | 0.608 | 47% | 0.469 | S | S | * | . | P | Polyproline II helix | trans | -64.3 | 160.7 | 167.4 | -57.7 | 0 | 0 | 0 | 0 | 110.4 | D194 S195 | S192-D194 PolarHBondContact O-N 3.32Å; S192-D194 VanDerWaalsContact O-N 3.1Å; S192-S195 WeakPolarHBondContact O-CA 3.26Å; S192-S195 VanDerWaalsContact O-CB 3.24Å; S192-S195 WeakPolarHBondContact O-CB 3.43Å; S192-S195 PolarHBondContact O-N 3.41Å |
| 193 | D | 65 | Low | 67.8 | Low | 123 Ų | 123 | 82.3 Ų | 82.3 | 66% | 0.658 | 47% | 0.473 | S | S | * | . | G | 310 helix | trans | -46.8 | -40.4 | -180 | -162.4 | 5.6 | 0 | 0 | 0 | 112.9 | S195 | D193-S195 VanDerWaalsContact C-N 3.26Å; D193-S195 PolarHBondContact O-N 3.35Å |
| 194 | D | 58.4 | Low | 68.7 | Low | 145 Ų | 145 | 82.2 Ų | 82.2 | 78% | 0.775 | 47% | 0.47 | S | S | * | . | G | 310 helix | trans | -72.2 | -14.9 | 178.9 | -58.6 | -36.3 | 0 | 0 | 0 | 114.4 | S192 | S192-D194 PolarHBondContact O-N 3.32Å; S192-D194 VanDerWaalsContact O-N 3.1Å |
| 195 | S | 60.8 | Low | 69.4 | Low | 33 Ų | 33 | 77.7 Ų | 77.7 | 23% | 0.231 | 44% | 0.44 | C | S | . | . | G | 310 helix | trans | -86.5 | -10.9 | -173.3 | -172.5 | 0 | 0 | 0 | 0 | 113.6 | S192 D193 V197 S198 S199 | S192-S195 WeakPolarHBondContact O-CA 3.26Å; S192-S195 VanDerWaalsContact O-CB 3.24Å; S192-S195 WeakPolarHBondContact O-CB 3.43Å; S192-S195 PolarHBondContact O-N 3.41Å; D193-S195 VanDerWaalsContact C-N 3.26Å; D193-S195 PolarHBondContact O-N 3.35Å; S195-V197 PolarHBondContact O-N 2.94Å; S195-S198 PolarHBondContact O-N 2.79Å; S195-S198 VanDerWaalsContact O-N 3.11Å; S195-S199 PolarHBondContact O-N 2.8Å |
| 196 | E | 56.7 | Low | 70.1 | Confident | 101 Ų | 101 | 74.3 Ų | 74.3 | 47% | 0.472 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -56.5 | -37.4 | 178.8 | -64.9 | -168.2 | 170.8 | 0 | 0 | 111.4 | F200 | E196-F200 WeakPolarHBondContact O-CD2 3.43Å; E196-F200 WeakPolarHBondContact O-CE2 3.4Å |
| 197 | V | 54.2 | Low | 71.1 | Confident | 105 Ų | 105 | 78.4 Ų | 78.4 | 64% | 0.636 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -75.9 | -30.1 | -179.8 | -159.2 | 0 | 0 | 0 | 0 | 112.6 | S195 | S195-V197 PolarHBondContact O-N 2.94Å |
| 198 | S | 58.8 | Low | 72 | Confident | 105 Ų | 105 | 79.2 Ų | 79.2 | 73% | 0.734 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -86.7 | -15 | -178.6 | -63.1 | 0 | 0 | 0 | 0 | 113.6 | S195 | S195-S198 PolarHBondContact O-N 2.79Å; S195-S198 VanDerWaalsContact O-N 3.11Å |
| 199 | S | 67.2 | Low | 73.2 | Confident | 35 Ų | 35 | 85.4 Ų | 85.4 | 25% | 0.245 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -78.6 | -20 | 178.4 | -174.7 | 0 | 0 | 0 | 0 | 113 | Q181 S195 K201 | Q181-S199 PolarHBondContact OE1-OG 2.99Å; S195-S199 PolarHBondContact O-N 2.8Å; S199-K201 PolarHBondContact O-N 2.69Å |
| 200 | F | 71.8 | Confident | 74.2 | Confident | 88 Ų | 88 | 89.4 Ų | 89.4 | 39% | 0.386 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -68.3 | 129.8 | -178 | -65.8 | -62.1 | 0 | 0 | 0 | 112.3 | E196 E204 L205 I208 | E196-F200 WeakPolarHBondContact O-CD2 3.43Å; E196-F200 WeakPolarHBondContact O-CE2 3.4Å; F200-E204 WeakPolarHBondContact CA-OE2 3.46Å; F200-E204 HydrophobicContact CB-CB 4.31Å; F200-E204 HydrophobicContact CD1-CB 4.22Å; F200-L205 HydrophobicContact CB-CD1 4.41Å; F200-L205 HydrophobicContact CB-CD2 3.65Å; F200-L205 HydrophobicContact CB-CG 3.64Å; F200-L205 HydrophobicContact CD2-CD2 3.98Å; F200-L205 HydrophobicContact CG-CD2 4.11Å; F200-I208 HydrophobicContact CD1-CD1 3.95Å; F200-I208 HydrophobicContact CD2-CD1 4.21Å; F200-I208 HydrophobicContact CE1-CD1 3.91Å; F200-I208 HydrophobicContact CE2-CD1 4.17Å; F200-I208 HydrophobicContact CG-CD1 4.11Å; F200-I208 HydrophobicContact CZ-CD1 4.03Å |
| 201 | K | 78.4 | Confident | 75.2 | Confident | 142 Ų | 142 | 92 Ų | 92 | 62% | 0.617 | 49% | 0.487 | S | S | * | . | trans | -65.9 | 154.3 | 169 | -63.8 | 174.6 | -177.8 | 170.9 | 0 | 109.8 | S199 D203 E204 L205 | S199-K201 PolarHBondContact O-N 2.69Å; K201-D203 PolarHBondContact O-N 3.18Å; K201-D203 VanDerWaalsContact O-N 3.14Å; K201-E204 HydrophobicContact CB-CG 4.21Å; K201-E204 PolarHBondContact N-OE2 3.35Å; K201-E204 WeakPolarHBondContact O-CA 3.37Å; K201-E204 WeakPolarHBondContact O-CB 3.36Å; K201-E204 PolarHBondContact O-N 3.12Å; K201-L205 PolarHBondContact O-N 2.97Å | ||
| 202 | A | 82.3 | Confident | 76.3 | Confident | 74 Ų | 74 | 96.2 Ų | 96.2 | 61% | 0.612 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -52.7 | -38.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L205 E206 | A202-L205 PolarHBondContact O-N 2.86Å; A202-E206 PolarHBondContact O-N 3.38Å |
| 203 | D | 84.6 | Confident | 77.5 | Confident | 128 Ų | 128 | 96.5 Ų | 96.5 | 68% | 0.684 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -67.2 | -37.4 | 177.5 | -58.4 | -19.6 | 0 | 0 | 0 | 112.3 | K201 E206 M207 | K201-D203 PolarHBondContact O-N 3.18Å; K201-D203 VanDerWaalsContact O-N 3.14Å; D203-E206 PolarHBondContact O-N 2.88Å; D203-M207 PolarHBondContact O-N 2.87Å |
| 204 | E | 86.5 | Confident | 78.7 | Confident | 72 Ų | 72 | 97.4 Ų | 97.4 | 34% | 0.336 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.3 | -43.3 | 177.1 | -64.7 | 168.9 | 164.1 | 0 | 0 | 110.3 | F200 K201 E206 M207 I208 | F200-E204 WeakPolarHBondContact CA-OE2 3.46Å; F200-E204 HydrophobicContact CB-CB 4.31Å; F200-E204 HydrophobicContact CD1-CB 4.22Å; K201-E204 HydrophobicContact CB-CG 4.21Å; K201-E204 PolarHBondContact N-OE2 3.35Å; K201-E204 WeakPolarHBondContact O-CA 3.37Å; K201-E204 WeakPolarHBondContact O-CB 3.36Å; K201-E204 PolarHBondContact O-N 3.12Å; E204-E206 VanDerWaalsContact C-N 3.33Å; E204-E206 PolarHBondContact O-N 3.48Å; E204-M207 WeakPolarHBondContact O-CB 3.39Å; E204-M207 PolarHBondContact O-N 3.47Å; E204-I208 VanDerWaalsContact O-CG1 3.25Å; E204-I208 WeakPolarHBondContact O-CG1 3.26Å; E204-I208 PolarHBondContact O-N 3.34Å |
| 205 | L | 85 | Confident | 80 | Confident | 56 Ų | 56 | 93.9 Ų | 93.9 | 29% | 0.293 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.1 | -40.4 | 173.4 | -71.3 | 174.7 | 0 | 0 | 0 | 112 | F200 K201 A202 I208 R209 | F200-L205 HydrophobicContact CB-CD1 4.41Å; F200-L205 HydrophobicContact CB-CD2 3.65Å; F200-L205 HydrophobicContact CB-CG 3.64Å; F200-L205 HydrophobicContact CD2-CD2 3.98Å; F200-L205 HydrophobicContact CG-CD2 4.11Å; K201-L205 PolarHBondContact O-N 2.97Å; A202-L205 PolarHBondContact O-N 2.86Å; L205-I208 PolarHBondContact O-N 2.85Å; L205-R209 WeakPolarHBondContact O-CB 3.33Å; L205-R209 WeakPolarHBondContact O-CG 3.47Å; L205-R209 PolarHBondContact O-N 3.25Å |
| 206 | E | 89.3 | Confident | 81.1 | Confident | 82 Ų | 82 | 98.5 Ų | 98.5 | 38% | 0.383 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.8 | -42.2 | 175.1 | -167.9 | -173.5 | 154.2 | 0 | 0 | 111.9 | A202 D203 E204 R209 K210 | A202-E206 PolarHBondContact O-N 3.38Å; D203-E206 PolarHBondContact O-N 2.88Å; E204-E206 VanDerWaalsContact C-N 3.33Å; E204-E206 PolarHBondContact O-N 3.48Å; E206-R209 PolarHBondContact O-N 2.93Å; E206-K210 WeakPolarHBondContact O-CG 3.32Å; E206-K210 PolarHBondContact O-N 2.83Å; E206-K210 WeakPolarHBondContact OE1-CE 3.3Å; E206-K210 IonicContact OE1-NZ 2.65Å; E206-K210 PolarHBondContact OE1-NZ 3.2Å |
| 207 | M | 90.3 | Very high | 82.2 | Confident | 109 Ų | 109 | 98.5 Ų | 98.5 | 54% | 0.537 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.1 | -45.4 | 174.6 | -177.7 | 179 | 65.6 | 0 | 0 | 111.7 | D203 E204 R209 K210 L211 | D203-M207 PolarHBondContact O-N 2.87Å; E204-M207 WeakPolarHBondContact O-CB 3.39Å; E204-M207 PolarHBondContact O-N 3.47Å; M207-R209 VanDerWaalsContact C-N 3.32Å; M207-R209 PolarHBondContact O-N 3.08Å; M207-K210 PolarHBondContact O-N 3.04Å; M207-L211 HydrophobicContact CG-CD1 4.18Å; M207-L211 WeakPolarHBondContact O-CG 3.41Å; M207-L211 PolarHBondContact O-N 3.09Å |
| 208 | I | 89.6 | Confident | 83.4 | Confident | 68 Ų | 68 | 101.3 Ų | 101.3 | 35% | 0.349 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.8 | -44.3 | 176.6 | -68.9 | 163.9 | 0 | 0 | 0 | 110.1 | F200 E204 L205 K210 L211 H212 | F200-I208 HydrophobicContact CD1-CD1 3.95Å; F200-I208 HydrophobicContact CD2-CD1 4.21Å; F200-I208 HydrophobicContact CE1-CD1 3.91Å; F200-I208 HydrophobicContact CE2-CD1 4.17Å; F200-I208 HydrophobicContact CG-CD1 4.11Å; F200-I208 HydrophobicContact CZ-CD1 4.03Å; E204-I208 VanDerWaalsContact O-CG1 3.25Å; E204-I208 WeakPolarHBondContact O-CG1 3.26Å; E204-I208 PolarHBondContact O-N 3.34Å; L205-I208 PolarHBondContact O-N 2.85Å; I208-K210 PolarHBondContact O-N 2.83Å; I208-L211 PolarHBondContact O-N 2.93Å; I208-H212 VanDerWaalsContact O-CB 3.3Å; I208-H212 WeakPolarHBondContact O-CB 3.5Å; I208-H212 PolarHBondContact O-N 3.39Å |
| 209 | R | 90.7 | Very high | 84.5 | Confident | 152 Ų | 152 | 101.3 Ų | 101.3 | 57% | 0.574 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.3 | -44.8 | 175 | -75.7 | -173.4 | -66.1 | -119.9 | 0.5 | 112.1 | L205 E206 M207 L211 H212 T213 | L205-R209 WeakPolarHBondContact O-CB 3.33Å; L205-R209 WeakPolarHBondContact O-CG 3.47Å; L205-R209 PolarHBondContact O-N 3.25Å; E206-R209 PolarHBondContact O-N 2.93Å; M207-R209 VanDerWaalsContact C-N 3.32Å; M207-R209 PolarHBondContact O-N 3.08Å; R209-L211 VanDerWaalsContact C-N 3.34Å; R209-L211 PolarHBondContact O-N 2.85Å; R209-H212 PolarHBondContact O-N 2.81Å; R209-T213 WeakPolarHBondContact O-CG2 3.43Å; R209-T213 PolarHBondContact O-N 3.25Å; R209-T213 PolarHBondContact O-OG1 3.43Å |
| 210 | K | 91.2 | Very high | 85.3 | Confident | 113 Ų | 113 | 101.4 Ų | 101.4 | 49% | 0.491 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.5 | -36.1 | 177 | -73.7 | 174.3 | -176.3 | 166.2 | 0 | 112.6 | E206 M207 I208 T213 K214 | E206-K210 WeakPolarHBondContact O-CG 3.32Å; E206-K210 PolarHBondContact O-N 2.83Å; E206-K210 WeakPolarHBondContact OE1-CE 3.3Å; E206-K210 IonicContact OE1-NZ 2.65Å; E206-K210 PolarHBondContact OE1-NZ 3.2Å; M207-K210 PolarHBondContact O-N 3.04Å; I208-K210 PolarHBondContact O-N 2.83Å; K210-T213 PolarHBondContact O-OG1 3.36Å; K210-K214 VanDerWaalsContact O-CG 3.24Å; K210-K214 WeakPolarHBondContact O-CG 3.48Å; K210-K214 PolarHBondContact O-N 2.82Å |
| 211 | L | 89.8 | Confident | 86.2 | Confident | 88 Ų | 88 | 101 Ų | 101 | 46% | 0.461 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -71.8 | -43.4 | 175.5 | -72.9 | 172.8 | 0 | 0 | 0 | 110.9 | M207 I208 R209 T213 K214 C215 | M207-L211 HydrophobicContact CG-CD1 4.18Å; M207-L211 WeakPolarHBondContact O-CG 3.41Å; M207-L211 PolarHBondContact O-N 3.09Å; I208-L211 PolarHBondContact O-N 2.93Å; R209-L211 VanDerWaalsContact C-N 3.34Å; R209-L211 PolarHBondContact O-N 2.85Å; L211-T213 PolarHBondContact O-N 3.26Å; L211-K214 CarbonylContact O-C 3.59Å; L211-K214 WeakPolarHBondContact O-CB 3.41Å; L211-K214 PolarHBondContact O-N 3.47Å; L211-K214 VanDerWaalsContact O-N 3.12Å; L211-C215 WeakPolarHBondContact O-CB 3.34Å; L211-C215 PolarHBondContact O-N 2.84Å; L211-C215 PolarHBondContact O-SG 3.44Å |
| 212 | H | 88.4 | Confident | 86.7 | Confident | 115 Ų | 115 | 102.7 Ų | 102.7 | 53% | 0.532 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.4 | -44.7 | 176.6 | 178.1 | -98.3 | 0 | 0 | 0 | 111.8 | I208 R209 K214 C215 K216 | I208-H212 VanDerWaalsContact O-CB 3.3Å; I208-H212 WeakPolarHBondContact O-CB 3.5Å; I208-H212 PolarHBondContact O-N 3.39Å; R209-H212 PolarHBondContact O-N 2.81Å; H212-K214 VanDerWaalsContact C-N 3.28Å; H212-K214 PolarHBondContact O-N 2.79Å; H212-C215 PolarHBondContact O-N 3.5Å; H212-C215 VanDerWaalsContact O-N 3.16Å; H212-K216 WeakPolarHBondContact O-CB 3.2Å; H212-K216 PolarHBondContact O-N 2.81Å |
| 213 | T | 88.8 | Confident | 87.1 | Confident | 93 Ų | 93 | 105 Ų | 105 | 57% | 0.571 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.9 | -33 | 175.7 | 53.6 | 0 | 0 | 0 | 0 | 113 | R209 K210 L211 P217 | R209-T213 WeakPolarHBondContact O-CG2 3.43Å; R209-T213 PolarHBondContact O-N 3.25Å; R209-T213 PolarHBondContact O-OG1 3.43Å; K210-T213 PolarHBondContact O-OG1 3.36Å; L211-T213 PolarHBondContact O-N 3.26Å; T213-P217 WeakPolarHBondContact O-CD 3.16Å |
| 214 | K | 89.4 | Confident | 87.6 | Confident | 142 Ų | 142 | 103.3 Ų | 103.3 | 62% | 0.617 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -72.1 | -33.1 | 172.8 | -72.2 | 174.2 | -178.6 | -173.3 | 0 | 113.1 | K210 L211 H212 P217 F218 | K210-K214 VanDerWaalsContact O-CG 3.24Å; K210-K214 WeakPolarHBondContact O-CG 3.48Å; K210-K214 PolarHBondContact O-N 2.82Å; L211-K214 CarbonylContact O-C 3.59Å; L211-K214 WeakPolarHBondContact O-CB 3.41Å; L211-K214 PolarHBondContact O-N 3.47Å; L211-K214 VanDerWaalsContact O-N 3.12Å; H212-K214 VanDerWaalsContact C-N 3.28Å; H212-K214 PolarHBondContact O-N 2.79Å; K214-P217 WeakPolarHBondContact O-CD 3.2Å; K214-P217 WeakPolarHBondContact O-CG 3.48Å; K214-F218 WeakPolarHBondContact O-CD2 3.49Å; K214-F218 VanDerWaalsContact O-CE2 3.31Å; K214-F218 WeakPolarHBondContact O-CE2 3.47Å |
| 215 | C | 86.7 | Confident | 87.9 | Confident | 71 Ų | 71 | 105.1 Ų | 105.1 | 48% | 0.48 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -82.6 | -30.9 | -179 | -69.4 | 0 | 0 | 0 | 0 | 113.2 | L211 H212 P217 F218 | L211-C215 WeakPolarHBondContact O-CB 3.34Å; L211-C215 PolarHBondContact O-N 2.84Å; L211-C215 PolarHBondContact O-SG 3.44Å; H212-C215 PolarHBondContact O-N 3.5Å; H212-C215 VanDerWaalsContact O-N 3.16Å; C215-P217 VanDerWaalsContact C-CD 3.41Å; C215-F218 WeakPolarHBondContact O-CA 3.47Å; C215-F218 WeakPolarHBondContact O-CB 3.49Å; C215-F218 PolarHBondContact O-N 3.19Å |
| 216 | K | 84.1 | Confident | 88.4 | Confident | 129 Ų | 129 | 109.1 Ų | 109.1 | 56% | 0.561 | 53% | 0.531 | S | S | * | . | G | 310 helix | trans | -47.2 | -41.6 | 179.6 | -167.9 | 174.8 | -176.9 | -179.2 | 0 | 115.8 | H212 F218 D219 | H212-K216 WeakPolarHBondContact O-CB 3.2Å; H212-K216 PolarHBondContact O-N 2.81Å; K216-F218 PolarHBondContact O-N 2.91Å; K216-D219 WeakPolarHBondContact O-CB 3.43Å; K216-D219 PolarHBondContact O-N 3.42Å; K216-D219 VanDerWaalsContact O-N 3.16Å |
| 217 | P | 79.6 | Confident | 88.7 | Confident | 101 Ų | 101 | 111.9 Ų | 111.9 | 66% | 0.656 | 54% | 0.544 | S | S | * | . | G | 310 helix | trans | -67.6 | -16.2 | 176 | 26.5 | -36.4 | 0 | 0 | 0 | 114.1 | T213 K214 C215 | T213-P217 WeakPolarHBondContact O-CD 3.16Å; K214-P217 WeakPolarHBondContact O-CD 3.2Å; K214-P217 WeakPolarHBondContact O-CG 3.48Å; C215-P217 VanDerWaalsContact C-CD 3.41Å |
| 218 | F | 78.8 | Confident | 89 | Confident | 164 Ų | 164 | 113.3 Ų | 113.3 | 72% | 0.719 | 54% | 0.544 | S | S | * | . | G | 310 helix | trans | -95.8 | 7.4 | 175.4 | -53.2 | -77.4 | 0 | 0 | 0 | 112.7 | K214 C215 K216 L220 | K214-F218 WeakPolarHBondContact O-CD2 3.49Å; K214-F218 VanDerWaalsContact O-CE2 3.31Å; K214-F218 WeakPolarHBondContact O-CE2 3.47Å; C215-F218 WeakPolarHBondContact O-CA 3.47Å; C215-F218 WeakPolarHBondContact O-CB 3.49Å; C215-F218 PolarHBondContact O-N 3.19Å; K216-F218 PolarHBondContact O-N 2.91Å; F218-L220 PolarHBondContact O-N 3.46Å |
| 219 | D | 81.8 | Confident | 89.3 | Confident | 105 Ų | 105 | 114.9 Ų | 114.9 | 56% | 0.561 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 129.1 | 175.2 | -75.5 | -22.6 | 0 | 0 | 0 | 109.4 | K216 | K216-D219 WeakPolarHBondContact O-CB 3.43Å; K216-D219 PolarHBondContact O-N 3.42Å; K216-D219 VanDerWaalsContact O-N 3.16Å |
| 220 | L | 84.6 | Confident | 89.6 | Confident | 38 Ų | 38 | 112.2 Ų | 112.2 | 20% | 0.199 | 55% | 0.548 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 140.6 | -177.7 | -83.6 | 86.1 | 0 | 0 | 0 | 111 | F218 Q224 Q225 R228 | F218-L220 PolarHBondContact O-N 3.46Å; L220-Q224 HydrophobicContact CB-CB 4.15Å; L220-Q224 HydrophobicContact CD2-CB 3.66Å; L220-Q224 HydrophobicContact CG-CB 4.2Å; L220-Q225 HydrophobicContact CB-CG 3.72Å; L220-Q225 PolarHBondContact O-NE2 3.08Å; L220-R228 VanDerWaalsContact CD1-NH1 3.32Å; L220-R228 HydrophobicContact CD2-CG 4.27Å |
| 221 | T | 89.2 | Confident | 90 | Very high | 78 Ų | 78 | 111.7 Ų | 111.7 | 48% | 0.479 | 55% | 0.549 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 154.4 | 168 | 67.3 | 0 | 0 | 0 | 0 | 110.3 | D223 Q224 Q225 | T221-D223 PolarHBondContact O-N 3.14Å; T221-D223 VanDerWaalsContact O-N 3.17Å; T221-Q224 PolarHBondContact O-N 3.39Å; T221-Q224 VanDerWaalsContact O-N 3.07Å; T221-Q224 VanDerWaalsContact OG1-CG 3.31Å; T221-Q224 WeakPolarHBondContact OG1-CG 3.13Å; T221-Q224 PolarHBondContact OG1-N 2.99Å; T221-Q225 WeakPolarHBondContact O-CG 3.36Å; T221-Q225 PolarHBondContact O-N 2.98Å |
| 222 | K | 90.4 | Very high | 90.3 | Very high | 178 Ų | 178 | 111.1 Ų | 111.1 | 77% | 0.774 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -54.2 | -37.2 | 179.6 | -67.8 | -178.6 | 178.8 | 178.2 | 0 | 112 | Q225 K226 | K222-Q225 PolarHBondContact O-N 2.98Å; K222-K226 PolarHBondContact O-N 2.69Å |
| 223 | D | 91.2 | Very high | 90.8 | Very high | 123 Ų | 123 | 109.8 Ų | 109.8 | 66% | 0.658 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -68.7 | -41.7 | 178.4 | -61 | -38.3 | 0 | 0 | 0 | 112.5 | T221 Q225 K226 Q227 | T221-D223 PolarHBondContact O-N 3.14Å; T221-D223 VanDerWaalsContact O-N 3.17Å; D223-Q225 VanDerWaalsContact C-N 3.31Å; D223-Q225 PolarHBondContact O-N 3.06Å; D223-K226 PolarHBondContact O-N 3.33Å; D223-Q227 WeakPolarHBondContact O-CB 3.32Å; D223-Q227 PolarHBondContact O-N 3.39Å |
| 224 | Q | 93.5 | Very high | 91.2 | Very high | 92 Ų | 92 | 110.5 Ų | 110.5 | 43% | 0.43 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.5 | -37.1 | 174.5 | -69.8 | 174 | -10.5 | 0 | 0 | 111.7 | L220 T221 Q227 R228 | L220-Q224 HydrophobicContact CB-CB 4.15Å; L220-Q224 HydrophobicContact CD2-CB 3.66Å; L220-Q224 HydrophobicContact CG-CB 4.2Å; T221-Q224 PolarHBondContact O-N 3.39Å; T221-Q224 VanDerWaalsContact O-N 3.07Å; T221-Q224 VanDerWaalsContact OG1-CG 3.31Å; T221-Q224 WeakPolarHBondContact OG1-CG 3.13Å; T221-Q224 PolarHBondContact OG1-N 2.99Å; Q224-Q227 PolarHBondContact O-N 3.04Å; Q224-R228 WeakPolarHBondContact O-CB 3.12Å; Q224-R228 WeakPolarHBondContact O-CG 3.45Å; Q224-R228 PolarHBondContact O-N 3.49Å |
| 225 | Q | 94 | Very high | 91.6 | Very high | 111 Ų | 111 | 108.2 Ų | 108.2 | 52% | 0.519 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63 | -44.9 | 173.9 | -66.2 | 179.8 | 8.2 | 0 | 0 | 111.2 | L220 T221 K222 D223 R228 L229 | L220-Q225 HydrophobicContact CB-CG 3.72Å; L220-Q225 PolarHBondContact O-NE2 3.08Å; T221-Q225 WeakPolarHBondContact O-CG 3.36Å; T221-Q225 PolarHBondContact O-N 2.98Å; K222-Q225 PolarHBondContact O-N 2.98Å; D223-Q225 VanDerWaalsContact C-N 3.31Å; D223-Q225 PolarHBondContact O-N 3.06Å; Q225-R228 PolarHBondContact O-N 3.4Å; Q225-L229 WeakPolarHBondContact O-CB 3.2Å; Q225-L229 PolarHBondContact O-N 3.36Å |
| 226 | K | 95.2 | Very high | 92.1 | Very high | 140 Ų | 140 | 111 Ų | 111 | 61% | 0.609 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -60.5 | -46.1 | 175.5 | -172.7 | -179.6 | 178.8 | -176.1 | 0 | 111.4 | K222 D223 R228 L229 I230 | K222-K226 PolarHBondContact O-N 2.69Å; D223-K226 PolarHBondContact O-N 3.33Å; K226-R228 PolarHBondContact O-N 3.07Å; K226-L229 WeakPolarHBondContact O-CB 3.42Å; K226-L229 PolarHBondContact O-N 2.86Å; K226-I230 HydrophobicContact CG-CD1 4.22Å; K226-I230 WeakPolarHBondContact O-CG1 3.35Å; K226-I230 PolarHBondContact O-N 3.45Å |
| 227 | Q | 95.9 | Very high | 92.7 | Very high | 140 Ų | 140 | 106.7 Ų | 106.7 | 65% | 0.654 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.2 | -42.9 | 177.5 | -170.2 | 179.1 | 13.1 | 0 | 0 | 112 | D223 Q224 L229 I230 M231 | D223-Q227 WeakPolarHBondContact O-CB 3.32Å; D223-Q227 PolarHBondContact O-N 3.39Å; Q224-Q227 PolarHBondContact O-N 3.04Å; Q227-L229 VanDerWaalsContact C-N 3.33Å; Q227-L229 PolarHBondContact O-N 3.3Å; Q227-I230 PolarHBondContact O-N 3.03Å; Q227-M231 PolarHBondContact O-N 2.92Å |
| 228 | R | 96.3 | Very high | 93.5 | Very high | 139 Ų | 139 | 106.5 Ų | 106.5 | 53% | 0.525 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.4 | -41.4 | 174 | -77.7 | -169.9 | -176.6 | 174.7 | 7.2 | 111.9 | L220 Q224 Q225 K226 M231 I232 | L220-R228 VanDerWaalsContact CD1-NH1 3.32Å; L220-R228 HydrophobicContact CD2-CG 4.27Å; Q224-R228 WeakPolarHBondContact O-CB 3.12Å; Q224-R228 WeakPolarHBondContact O-CG 3.45Å; Q224-R228 PolarHBondContact O-N 3.49Å; Q225-R228 PolarHBondContact O-N 3.4Å; K226-R228 PolarHBondContact O-N 3.07Å; R228-M231 PolarHBondContact O-N 3.33Å; R228-I232 WeakPolarHBondContact O-CB 3.25Å; R228-I232 WeakPolarHBondContact O-CD1 3.32Å; R228-I232 WeakPolarHBondContact O-CG1 3.46Å; R228-I232 PolarHBondContact O-N 3.36Å |
| 229 | L | 96.4 | Very high | 94.4 | Very high | 100 Ų | 100 | 103.5 Ų | 103.5 | 52% | 0.524 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.8 | -43.2 | 178.8 | -172.1 | 69.5 | 0 | 0 | 0 | 111.7 | Q225 K226 Q227 I232 N233 | Q225-L229 WeakPolarHBondContact O-CB 3.2Å; Q225-L229 PolarHBondContact O-N 3.36Å; K226-L229 WeakPolarHBondContact O-CB 3.42Å; K226-L229 PolarHBondContact O-N 2.86Å; Q227-L229 VanDerWaalsContact C-N 3.33Å; Q227-L229 PolarHBondContact O-N 3.3Å; L229-I232 PolarHBondContact O-N 3.23Å; L229-N233 WeakPolarHBondContact O-CB 3.43Å; L229-N233 VanDerWaalsContact O-CG 3.31Å; L229-N233 PolarHBondContact O-N 2.84Å; L229-N233 PolarHBondContact O-ND2 3.45Å |
| 230 | I | 97.3 | Very high | 95.1 | Very high | 97 Ų | 97 | 106.8 Ų | 106.8 | 50% | 0.497 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.2 | -50.1 | 175.1 | -67.2 | 165.5 | 0 | 0 | 0 | 110 | K226 Q227 I232 N233 E234 | K226-I230 HydrophobicContact CG-CD1 4.22Å; K226-I230 WeakPolarHBondContact O-CG1 3.35Å; K226-I230 PolarHBondContact O-N 3.45Å; Q227-I230 PolarHBondContact O-N 3.03Å; I230-I232 VanDerWaalsContact C-N 3.33Å; I230-I232 PolarHBondContact O-N 2.83Å; I230-N233 PolarHBondContact O-N 3.28Å; I230-N233 VanDerWaalsContact O-N 3.13Å; I230-E234 PolarHBondContact O-N 3.38Å |
| 231 | M | 98.1 | Very high | 95.7 | Very high | 102 Ų | 102 | 109.6 Ų | 109.6 | 50% | 0.502 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.2 | -40.9 | 178.1 | -175.2 | 179.7 | 67.7 | 0 | 0 | 112.3 | Q227 R228 N233 E234 L235 | Q227-M231 PolarHBondContact O-N 2.92Å; R228-M231 PolarHBondContact O-N 3.33Å; M231-N233 VanDerWaalsContact C-N 3.35Å; M231-N233 PolarHBondContact O-N 3.18Å; M231-E234 PolarHBondContact O-N 3.01Å; M231-L235 HydrophobicContact CG-CD1 4.09Å; M231-L235 WeakPolarHBondContact O-CB 3.3Å; M231-L235 VanDerWaalsContact O-CG 3.25Å; M231-L235 WeakPolarHBondContact O-CG 3.3Å; M231-L235 PolarHBondContact O-N 2.84Å |
| 232 | I | 97.6 | Very high | 96.1 | Very high | 75 Ų | 75 | 110.6 Ų | 110.6 | 39% | 0.385 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.1 | -43.9 | 175.6 | -72.9 | 164.8 | 0 | 0 | 0 | 110.7 | R228 L229 I230 L235 K236 | R228-I232 WeakPolarHBondContact O-CB 3.25Å; R228-I232 WeakPolarHBondContact O-CD1 3.32Å; R228-I232 WeakPolarHBondContact O-CG1 3.46Å; R228-I232 PolarHBondContact O-N 3.36Å; L229-I232 PolarHBondContact O-N 3.23Å; I230-I232 VanDerWaalsContact C-N 3.33Å; I230-I232 PolarHBondContact O-N 2.83Å; I232-L235 PolarHBondContact O-N 2.89Å; I232-K236 HydrophobicContact CG2-CD 4.05Å; I232-K236 HydrophobicContact CG2-CG 4.47Å; I232-K236 WeakPolarHBondContact O-CB 3.25Å; I232-K236 VanDerWaalsContact O-CG 3.28Å; I232-K236 WeakPolarHBondContact O-CG 3.29Å; I232-K236 PolarHBondContact O-N 2.96Å |
| 233 | N | 97.5 | Very high | 96.3 | Very high | 87 Ų | 87 | 107 Ų | 107 | 47% | 0.465 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.8 | -40.2 | 180 | -73.2 | -18.4 | 0 | 0 | 0 | 111.9 | L229 I230 M231 K236 A237 | L229-N233 WeakPolarHBondContact O-CB 3.43Å; L229-N233 VanDerWaalsContact O-CG 3.31Å; L229-N233 PolarHBondContact O-N 2.84Å; L229-N233 PolarHBondContact O-ND2 3.45Å; I230-N233 PolarHBondContact O-N 3.28Å; I230-N233 VanDerWaalsContact O-N 3.13Å; M231-N233 VanDerWaalsContact C-N 3.35Å; M231-N233 PolarHBondContact O-N 3.18Å; N233-K236 PolarHBondContact O-N 2.9Å; N233-A237 WeakPolarHBondContact O-CB 3.48Å; N233-A237 PolarHBondContact O-N 3.04Å |
| 234 | E | 98 | Very high | 96.5 | Very high | 108 Ų | 108 | 103.4 Ų | 103.4 | 51% | 0.505 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62 | -49.4 | 174.3 | -170.6 | -175.2 | 169.3 | 0 | 0 | 111.3 | I230 M231 K236 A237 Q238 | I230-E234 PolarHBondContact O-N 3.38Å; M231-E234 PolarHBondContact O-N 3.01Å; E234-K236 VanDerWaalsContact C-N 3.32Å; E234-K236 PolarHBondContact O-N 3.35Å; E234-A237 WeakPolarHBondContact O-CB 3.49Å; E234-A237 PolarHBondContact O-N 2.95Å; E234-Q238 WeakPolarHBondContact O-CG 3.37Å; E234-Q238 PolarHBondContact O-N 3.43Å; E234-Q238 PolarHBondContact OE1-NE2 3.1Å |
| 235 | L | 98.2 | Very high | 96.7 | Very high | 95 Ų | 95 | 105.9 Ų | 105.9 | 50% | 0.497 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.4 | -39.1 | 177.2 | -71.8 | 172.3 | 0 | 0 | 0 | 112.1 | M231 I232 A237 Q238 L239 | M231-L235 HydrophobicContact CG-CD1 4.09Å; M231-L235 WeakPolarHBondContact O-CB 3.3Å; M231-L235 VanDerWaalsContact O-CG 3.25Å; M231-L235 WeakPolarHBondContact O-CG 3.3Å; M231-L235 PolarHBondContact O-N 2.84Å; I232-L235 PolarHBondContact O-N 2.89Å; L235-A237 VanDerWaalsContact C-N 3.33Å; L235-Q238 PolarHBondContact O-N 3.41Å; L235-L239 VanDerWaalsContact O-CB 3.3Å; L235-L239 WeakPolarHBondContact O-CB 3.43Å; L235-L239 PolarHBondContact O-N 3.31Å |
| 236 | K | 97.1 | Very high | 96.8 | Very high | 128 Ų | 128 | 106.2 Ų | 106.2 | 56% | 0.557 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.7 | -38.1 | 173.1 | -77.5 | 176.7 | 177.9 | 179.8 | 0 | 112 | I232 N233 E234 R240 | I232-K236 HydrophobicContact CG2-CD 4.05Å; I232-K236 HydrophobicContact CG2-CG 4.47Å; I232-K236 WeakPolarHBondContact O-CB 3.25Å; I232-K236 VanDerWaalsContact O-CG 3.28Å; I232-K236 WeakPolarHBondContact O-CG 3.29Å; I232-K236 PolarHBondContact O-N 2.96Å; N233-K236 PolarHBondContact O-N 2.9Å; E234-K236 VanDerWaalsContact C-N 3.32Å; E234-K236 PolarHBondContact O-N 3.35Å; K236-R240 WeakPolarHBondContact O-CG 3.24Å; K236-R240 PolarHBondContact O-N 2.93Å |
| 237 | A | 96.5 | Very high | 96.8 | Very high | 39 Ų | 39 | 104 Ų | 104 | 32% | 0.322 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.3 | -46.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | N233 E234 L235 L239 R240 V241 | N233-A237 WeakPolarHBondContact O-CB 3.48Å; N233-A237 PolarHBondContact O-N 3.04Å; E234-A237 WeakPolarHBondContact O-CB 3.49Å; E234-A237 PolarHBondContact O-N 2.95Å; L235-A237 VanDerWaalsContact C-N 3.33Å; A237-L239 VanDerWaalsContact C-N 3.34Å; A237-L239 PolarHBondContact O-N 2.88Å; A237-R240 PolarHBondContact O-N 3.01Å; A237-V241 PolarHBondContact O-N 3.05Å; A237-V241 VanDerWaalsContact O-N 3.15Å |
| 238 | Q | 96.2 | Very high | 96.7 | Very high | 98 Ų | 98 | 102.2 Ų | 102.2 | 46% | 0.458 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.4 | -42.2 | 175.5 | -68.6 | 179.2 | 15.9 | 0 | 0 | 111.8 | E234 L235 R240 V241 E242 | E234-Q238 WeakPolarHBondContact O-CG 3.37Å; E234-Q238 PolarHBondContact O-N 3.43Å; E234-Q238 PolarHBondContact OE1-NE2 3.1Å; L235-Q238 PolarHBondContact O-N 3.41Å; Q238-R240 VanDerWaalsContact C-N 3.33Å; Q238-R240 PolarHBondContact O-N 3.13Å; Q238-V241 PolarHBondContact O-N 2.76Å; Q238-V241 VanDerWaalsContact O-N 3.14Å; Q238-E242 PolarHBondContact O-N 3.36Å |
| 239 | L | 97.8 | Very high | 96.6 | Very high | 100 Ų | 100 | 100.8 Ų | 100.8 | 52% | 0.524 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -57.5 | -45.4 | 175.5 | -176.9 | 67.3 | 0 | 0 | 0 | 111.3 | L235 A237 V241 E242 E243 | L235-L239 VanDerWaalsContact O-CB 3.3Å; L235-L239 WeakPolarHBondContact O-CB 3.43Å; L235-L239 PolarHBondContact O-N 3.31Å; A237-L239 VanDerWaalsContact C-N 3.34Å; A237-L239 PolarHBondContact O-N 2.88Å; L239-V241 VanDerWaalsContact C-N 3.31Å; L239-V241 PolarHBondContact O-N 2.99Å; L239-E242 PolarHBondContact O-N 2.86Å; L239-E243 HydrophobicContact CD1-CG 4.43Å; L239-E243 HydrophobicContact CG-CG 4.37Å; L239-E243 WeakPolarHBondContact O-CB 3.24Å; L239-E243 VanDerWaalsContact O-CG 3.26Å; L239-E243 WeakPolarHBondContact O-CG 3.31Å; L239-E243 PolarHBondContact O-N 2.81Å |
| 240 | R | 96.5 | Very high | 96.5 | Very high | 174 Ų | 174 | 102.8 Ų | 102.8 | 66% | 0.657 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.4 | -37.7 | 176.9 | -72.7 | -171.5 | -65.9 | 167.8 | -0 | 112.7 | K236 A237 Q238 A244 | K236-R240 WeakPolarHBondContact O-CG 3.24Å; K236-R240 PolarHBondContact O-N 2.93Å; A237-R240 PolarHBondContact O-N 3.01Å; Q238-R240 VanDerWaalsContact C-N 3.33Å; Q238-R240 PolarHBondContact O-N 3.13Å; R240-A244 WeakPolarHBondContact O-CB 3.28Å; R240-A244 PolarHBondContact O-N 2.82Å |
| 241 | V | 96.8 | Very high | 96.1 | Very high | 97 Ų | 97 | 103.6 Ų | 103.6 | 59% | 0.588 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.7 | -45.4 | 176.8 | 174.2 | 0 | 0 | 0 | 0 | 110.9 | A237 Q238 L239 A244 R245 | A237-V241 PolarHBondContact O-N 3.05Å; A237-V241 VanDerWaalsContact O-N 3.15Å; Q238-V241 PolarHBondContact O-N 2.76Å; Q238-V241 VanDerWaalsContact O-N 3.14Å; L239-V241 VanDerWaalsContact C-N 3.31Å; L239-V241 PolarHBondContact O-N 2.99Å; V241-A244 PolarHBondContact O-N 2.6Å; V241-R245 WeakPolarHBondContact O-CB 3.42Å; V241-R245 PolarHBondContact O-N 3.28Å |
| 242 | E | 97.1 | Very high | 95.8 | Very high | 100 Ų | 100 | 103.6 Ų | 103.6 | 47% | 0.467 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.2 | -37.3 | 178.3 | -76.1 | -61.1 | 141.9 | 0 | 0 | 112.4 | Q238 L239 R245 L246 | Q238-E242 PolarHBondContact O-N 3.36Å; L239-E242 PolarHBondContact O-N 2.86Å; E242-R245 PolarHBondContact O-N 3.1Å; E242-R245 IonicContact OE1-NH1 3.63Å; E242-R245 PolarHBondContact OE1-NH1 2.98Å; E242-L246 WeakPolarHBondContact O-CB 3.45Å; E242-L246 PolarHBondContact O-N 2.85Å |
| 243 | E | 96.2 | Very high | 95.4 | Very high | 102 Ų | 102 | 107.9 Ų | 107.9 | 48% | 0.477 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.8 | -46.3 | 171.3 | -75.1 | 175.6 | 160.8 | 0 | 0 | 111.4 | L239 R245 L246 I247 | L239-E243 HydrophobicContact CD1-CG 4.43Å; L239-E243 HydrophobicContact CG-CG 4.37Å; L239-E243 WeakPolarHBondContact O-CB 3.24Å; L239-E243 VanDerWaalsContact O-CG 3.26Å; L239-E243 WeakPolarHBondContact O-CG 3.31Å; L239-E243 PolarHBondContact O-N 2.81Å; E243-R245 VanDerWaalsContact C-N 3.35Å; E243-R245 PolarHBondContact O-N 3.5Å; E243-L246 PolarHBondContact O-N 3.33Å; E243-I247 WeakPolarHBondContact O-CD1 3.48Å; E243-I247 VanDerWaalsContact O-CG1 3.26Å; E243-I247 WeakPolarHBondContact O-CG1 3.43Å; E243-I247 PolarHBondContact O-N 3.05Å |
| 244 | A | 95.5 | Very high | 94.8 | Very high | 48 Ų | 48 | 107.7 Ų | 107.7 | 40% | 0.397 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.4 | -43.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | R240 V241 I247 I248 | R240-A244 WeakPolarHBondContact O-CB 3.28Å; R240-A244 PolarHBondContact O-N 2.82Å; V241-A244 PolarHBondContact O-N 2.6Å; A244-I247 PolarHBondContact O-N 2.94Å; A244-I248 WeakPolarHBondContact O-CG1 3.37Å; A244-I248 PolarHBondContact O-N 2.82Å; A244-I248 VanDerWaalsContact O-N 3.07Å |
| 245 | R | 96 | Very high | 94.2 | Very high | 144 Ų | 144 | 105.9 Ų | 105.9 | 54% | 0.543 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61 | -45.2 | 176 | -173.7 | -176.7 | -174.3 | 169.7 | 4.6 | 111.8 | V241 E242 E243 I247 I248 M249 | V241-R245 WeakPolarHBondContact O-CB 3.42Å; V241-R245 PolarHBondContact O-N 3.28Å; E242-R245 PolarHBondContact O-N 3.1Å; E242-R245 IonicContact OE1-NH1 3.63Å; E242-R245 PolarHBondContact OE1-NH1 2.98Å; E243-R245 VanDerWaalsContact C-N 3.35Å; E243-R245 PolarHBondContact O-N 3.5Å; R245-I247 VanDerWaalsContact C-N 3.32Å; R245-I247 PolarHBondContact O-N 3.42Å; R245-I248 PolarHBondContact O-N 3.03Å; R245-M249 HydrophobicContact CG-SD 4.36Å; R245-M249 WeakPolarHBondContact O-CG 3.24Å; R245-M249 PolarHBondContact O-N 2.96Å |
| 246 | L | 96 | Very high | 93.5 | Very high | 117 Ų | 117 | 108.2 Ų | 108.2 | 61% | 0.613 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.1 | -39.7 | 178.6 | -174.8 | 63.7 | 0 | 0 | 0 | 111.5 | E242 E243 M249 K250 | E242-L246 WeakPolarHBondContact O-CB 3.45Å; E242-L246 PolarHBondContact O-N 2.85Å; E243-L246 PolarHBondContact O-N 3.33Å; L246-M249 PolarHBondContact O-N 3.45Å; L246-K250 VanDerWaalsContact O-CB 3.3Å; L246-K250 WeakPolarHBondContact O-CB 3.4Å; L246-K250 PolarHBondContact O-N 2.79Å |
| 247 | I | 95.6 | Very high | 92.7 | Very high | 95 Ų | 95 | 107.9 Ų | 107.9 | 49% | 0.487 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.3 | -46.3 | 174.7 | -69.4 | 163.8 | 0 | 0 | 0 | 110.5 | E243 A244 R245 K250 K251 | E243-I247 WeakPolarHBondContact O-CD1 3.48Å; E243-I247 VanDerWaalsContact O-CG1 3.26Å; E243-I247 WeakPolarHBondContact O-CG1 3.43Å; E243-I247 PolarHBondContact O-N 3.05Å; A244-I247 PolarHBondContact O-N 2.94Å; R245-I247 VanDerWaalsContact C-N 3.32Å; R245-I247 PolarHBondContact O-N 3.42Å; I247-K250 PolarHBondContact O-N 3.35Å; I247-K251 HydrophobicContact CG2-CD 4.29Å; I247-K251 WeakPolarHBondContact O-CG 3.4Å; I247-K251 PolarHBondContact O-N 2.72Å |
| 248 | I | 94.1 | Very high | 91.4 | Very high | 102 Ų | 102 | 108.4 Ų | 108.4 | 52% | 0.523 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62 | -47.3 | 178 | -66 | 166 | 0 | 0 | 0 | 110.5 | A244 R245 K250 K251 M252 | A244-I248 WeakPolarHBondContact O-CG1 3.37Å; A244-I248 PolarHBondContact O-N 2.82Å; A244-I248 VanDerWaalsContact O-N 3.07Å; R245-I248 PolarHBondContact O-N 3.03Å; I248-K250 VanDerWaalsContact C-N 3.34Å; I248-K250 PolarHBondContact O-N 3.47Å; I248-K251 WeakPolarHBondContact O-CB 3.5Å; I248-K251 PolarHBondContact O-N 2.86Å; I248-M252 HydrophobicContact CG2-CG 4.44Å; I248-M252 HydrophobicContact CG2-SD 4.21Å; I248-M252 WeakPolarHBondContact O-CG 3.33Å; I248-M252 PolarHBondContact O-N 3.36Å |
| 249 | M | 93.8 | Very high | 89.7 | Confident | 108 Ų | 108 | 107.2 Ų | 107.2 | 53% | 0.532 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.7 | -41.1 | 178.1 | -72.6 | -178.9 | 64.4 | 0 | 0 | 112.3 | R245 L246 K251 M252 R253 | R245-M249 HydrophobicContact CG-SD 4.36Å; R245-M249 WeakPolarHBondContact O-CG 3.24Å; R245-M249 PolarHBondContact O-N 2.96Å; L246-M249 PolarHBondContact O-N 3.45Å; M249-K251 VanDerWaalsContact C-N 3.34Å; M249-M252 PolarHBondContact O-N 3.38Å; M249-R253 WeakPolarHBondContact O-CB 3.18Å; M249-R253 PolarHBondContact O-N 2.85Å |
| 250 | K | 93.9 | Very high | 88 | Confident | 143 Ų | 143 | 108.2 Ų | 108.2 | 62% | 0.622 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.4 | -42.9 | 175.3 | -173 | 176 | -178.9 | 178.5 | 0 | 110.9 | L246 I247 I248 R253 L254 | L246-K250 VanDerWaalsContact O-CB 3.3Å; L246-K250 WeakPolarHBondContact O-CB 3.4Å; L246-K250 PolarHBondContact O-N 2.79Å; I247-K250 PolarHBondContact O-N 3.35Å; I248-K250 VanDerWaalsContact C-N 3.34Å; I248-K250 PolarHBondContact O-N 3.47Å; K250-R253 PolarHBondContact O-N 3.09Å; K250-L254 HydrophobicContact CG-CD1 4.34Å; K250-L254 WeakPolarHBondContact O-CG 3.35Å; K250-L254 PolarHBondContact O-N 3.35Å |
| 251 | K | 90 | Very high | 86.3 | Confident | 114 Ų | 114 | 104.3 Ų | 104.3 | 50% | 0.496 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.9 | -45.3 | 175.1 | -74.2 | -179.5 | 178.2 | -174 | 0 | 112 | I247 I248 M249 R253 L254 S255 | I247-K251 HydrophobicContact CG2-CD 4.29Å; I247-K251 WeakPolarHBondContact O-CG 3.4Å; I247-K251 PolarHBondContact O-N 2.72Å; I248-K251 WeakPolarHBondContact O-CB 3.5Å; I248-K251 PolarHBondContact O-N 2.86Å; M249-K251 VanDerWaalsContact C-N 3.34Å; K251-R253 VanDerWaalsContact C-N 3.3Å; K251-R253 PolarHBondContact O-N 2.84Å; K251-L254 PolarHBondContact O-N 2.87Å; K251-S255 PolarHBondContact O-N 3.32Å; K251-S255 PolarHBondContact O-OG 2.74Å |
| 252 | M | 91.2 | Very high | 84.4 | Confident | 101 Ų | 101 | 103.5 Ų | 103.5 | 50% | 0.498 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.4 | -39.8 | 175.5 | -72.9 | 179 | 64.9 | 0 | 0 | 112.2 | I248 M249 S255 Q256 | I248-M252 HydrophobicContact CG2-CG 4.44Å; I248-M252 HydrophobicContact CG2-SD 4.21Å; I248-M252 WeakPolarHBondContact O-CG 3.33Å; I248-M252 PolarHBondContact O-N 3.36Å; M249-M252 PolarHBondContact O-N 3.38Å; M252-S255 PolarHBondContact O-OG 3.49Å; M252-Q256 WeakPolarHBondContact O-CB 3.35Å; M252-Q256 WeakPolarHBondContact O-CG 3.17Å; M252-Q256 PolarHBondContact O-N 2.93Å; M252-Q256 VanDerWaalsContact O-N 3.12Å |
| 253 | R | 89.6 | Confident | 82.3 | Confident | 166 Ų | 166 | 99.6 Ų | 99.6 | 63% | 0.626 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.8 | -42.1 | 176.9 | -174.7 | 176.4 | 177.9 | 168.3 | 1.9 | 111.7 | M249 K250 K251 Q256 Q257 | M249-R253 WeakPolarHBondContact O-CB 3.18Å; M249-R253 PolarHBondContact O-N 2.85Å; K250-R253 PolarHBondContact O-N 3.09Å; K251-R253 VanDerWaalsContact C-N 3.3Å; K251-R253 PolarHBondContact O-N 2.84Å; R253-Q256 PolarHBondContact O-N 2.79Å; R253-Q257 HydrophobicContact CG-CG 4.46Å; R253-Q257 WeakPolarHBondContact O-CB 3.45Å; R253-Q257 WeakPolarHBondContact O-CG 3.31Å; R253-Q257 PolarHBondContact O-N 3.37Å |
| 254 | L | 85.2 | Confident | 80.5 | Confident | 83 Ų | 83 | 99.1 Ų | 99.1 | 44% | 0.435 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.8 | -41.5 | 177.2 | -71 | 173.2 | 0 | 0 | 0 | 111.6 | K250 K251 Q256 Q257 L258 | K250-L254 HydrophobicContact CG-CD1 4.34Å; K250-L254 WeakPolarHBondContact O-CG 3.35Å; K250-L254 PolarHBondContact O-N 3.35Å; K251-L254 PolarHBondContact O-N 2.87Å; L254-Q256 PolarHBondContact O-N 2.9Å; L254-Q257 PolarHBondContact O-N 3.48Å; L254-L258 WeakPolarHBondContact O-CB 3.31Å; L254-L258 WeakPolarHBondContact O-CD1 3.48Å; L254-L258 WeakPolarHBondContact O-CG 3.49Å; L254-L258 PolarHBondContact O-N 2.74Å |
| 255 | S | 85.3 | Confident | 78.7 | Confident | 70 Ų | 70 | 101.2 Ų | 101.2 | 49% | 0.49 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.1 | -28.9 | 176 | 66.8 | 0 | 0 | 0 | 0 | 112.9 | K251 M252 | K251-S255 PolarHBondContact O-N 3.32Å; K251-S255 PolarHBondContact O-OG 2.74Å; M252-S255 PolarHBondContact O-OG 3.49Å |
| 256 | Q | 84.1 | Confident | 76.9 | Confident | 144 Ų | 144 | 97.8 Ų | 97.8 | 67% | 0.673 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -78.2 | -30.9 | 173.6 | -71.4 | 170.7 | 21.6 | 0 | 0 | 113.6 | M252 R253 L254 | M252-Q256 WeakPolarHBondContact O-CB 3.35Å; M252-Q256 WeakPolarHBondContact O-CG 3.17Å; M252-Q256 PolarHBondContact O-N 2.93Å; M252-Q256 VanDerWaalsContact O-N 3.12Å; R253-Q256 PolarHBondContact O-N 2.79Å; L254-Q256 PolarHBondContact O-N 2.9Å |
| 257 | Q | 80.2 | Confident | 75.1 | Confident | 120 Ų | 120 | 97.7 Ų | 97.7 | 56% | 0.561 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -84.7 | -26.2 | -179.5 | -74.2 | -178.6 | -10.1 | 0 | 0 | 113.1 | R253 L254 | R253-Q257 HydrophobicContact CG-CG 4.46Å; R253-Q257 WeakPolarHBondContact O-CB 3.45Å; R253-Q257 WeakPolarHBondContact O-CG 3.31Å; R253-Q257 PolarHBondContact O-N 3.37Å; L254-Q257 PolarHBondContact O-N 3.48Å |
| 258 | L | 68.9 | Low | 73.3 | Confident | 50 Ų | 50 | 99.9 Ų | 99.9 | 26% | 0.262 | 52% | 0.52 | S | S | . | . | S | Bend | trans | -73.5 | 127.6 | 176.9 | -71.3 | 166.4 | 0 | 0 | 0 | 109.1 | L254 V260 I262 A263 V266 | L254-L258 WeakPolarHBondContact O-CB 3.31Å; L254-L258 WeakPolarHBondContact O-CD1 3.48Å; L254-L258 WeakPolarHBondContact O-CG 3.49Å; L254-L258 PolarHBondContact O-N 2.74Å; L258-V260 PolarHBondContact O-N 2.69Å; L258-I262 HydrophobicContact CD2-CB 4.06Å; L258-I262 HydrophobicContact CD2-CG2 3.75Å; L258-A263 HydrophobicContact CB-CB 4.12Å; L258-A263 HydrophobicContact CD1-CB 4.48Å; L258-V266 HydrophobicContact CD1-CG2 4.2Å |
| 259 | P | 60.5 | Low | 71.7 | Confident | 74 Ų | 74 | 98.9 Ų | 98.9 | 48% | 0.481 | 52% | 0.516 | S | S | . | . | trans | -57 | 142.6 | 164.8 | 24.6 | -30.1 | 0 | 0 | 0 | 108.2 | S261 I262 A263 | P259-S261 PolarHBondContact O-N 3.35Å; P259-I262 HydrophobicContact CG-CD1 3.74Å; P259-I262 HydrophobicContact CG-CG1 4.07Å; P259-I262 PolarHBondContact O-N 2.85Å; P259-A263 PolarHBondContact O-N 2.84Å | ||
| 260 | V | 62.6 | Low | 69.9 | Low | 121 Ų | 121 | 100.9 Ų | 100.9 | 73% | 0.733 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -45.7 | -32.5 | -173.5 | 178.7 | 0 | 0 | 0 | 0 | 112.5 | L258 I262 | L258-V260 PolarHBondContact O-N 2.69Å; V260-I262 VanDerWaalsContact C-N 3.34Å; V260-I262 PolarHBondContact O-N 3.4Å |
| 261 | S | 59.8 | Low | 68.1 | Low | 91 Ų | 91 | 95.6 Ų | 95.6 | 64% | 0.636 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -67.2 | -20 | 177.8 | 58 | 0 | 0 | 0 | 0 | 116.6 | P259 | P259-S261 PolarHBondContact O-N 3.35Å |
| 262 | I | 58 | Low | 66.7 | Low | 81 Ų | 81 | 95.9 Ų | 95.9 | 42% | 0.415 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -105.7 | -27 | -178.4 | -52.7 | 175.2 | 0 | 0 | 0 | 111.4 | L258 P259 V260 D264 V265 V266 | L258-I262 HydrophobicContact CD2-CB 4.06Å; L258-I262 HydrophobicContact CD2-CG2 3.75Å; P259-I262 HydrophobicContact CG-CD1 3.74Å; P259-I262 HydrophobicContact CG-CG1 4.07Å; P259-I262 PolarHBondContact O-N 2.85Å; V260-I262 VanDerWaalsContact C-N 3.34Å; V260-I262 PolarHBondContact O-N 3.4Å; I262-D264 VanDerWaalsContact C-N 3.26Å; I262-D264 PolarHBondContact O-N 3.31Å; I262-V265 PolarHBondContact O-N 2.84Å; I262-V266 PolarHBondContact O-N 3.25Å |
| 263 | A | 52.8 | Low | 65.3 | Low | 17 Ų | 17 | 97.1 Ų | 97.1 | 14% | 0.14 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -60.2 | -37.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L258 P259 V265 V266 N267 | L258-A263 HydrophobicContact CB-CB 4.12Å; L258-A263 HydrophobicContact CD1-CB 4.48Å; P259-A263 PolarHBondContact O-N 2.84Å; A263-V265 PolarHBondContact O-N 3.27Å; A263-V266 PolarHBondContact O-N 2.88Å; A263-N267 PolarHBondContact O-N 3.01Å; A263-N267 VanDerWaalsContact O-N 3.07Å |
| 264 | D | 57 | Low | 64.1 | Low | 93 Ų | 93 | 92 Ų | 92 | 50% | 0.497 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.9 | -40.2 | 176.5 | -64.2 | -23.4 | 0 | 0 | 0 | 111.7 | I262 V266 N267 M268 | I262-D264 VanDerWaalsContact C-N 3.26Å; I262-D264 PolarHBondContact O-N 3.31Å; D264-V266 PolarHBondContact O-N 3.49Å; D264-N267 PolarHBondContact O-N 3.4Å; D264-M268 WeakPolarHBondContact O-CB 3.3Å; D264-M268 VanDerWaalsContact O-CG 3.24Å; D264-M268 WeakPolarHBondContact O-CG 3.19Å; D264-M268 PolarHBondContact O-N 3.47Å |
| 265 | V | 58.6 | Low | 63.2 | Low | 91 Ų | 91 | 95.3 Ų | 95.3 | 55% | 0.552 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.1 | -38.8 | 179.3 | -177.2 | 0 | 0 | 0 | 0 | 111.8 | I262 A263 N269 | I262-V265 PolarHBondContact O-N 2.84Å; A263-V265 PolarHBondContact O-N 3.27Å; V265-N269 VanDerWaalsContact O-CB 3.3Å; V265-N269 WeakPolarHBondContact O-CB 3.34Å; V265-N269 PolarHBondContact O-N 3.44Å |
| 266 | V | 58.5 | Low | 62 | Low | 72 Ų | 72 | 96.7 Ų | 96.7 | 44% | 0.436 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -70.2 | -40.6 | 177.2 | 178.3 | 0 | 0 | 0 | 0 | 111.3 | L258 I262 A263 D264 W270 | L258-V266 HydrophobicContact CD1-CG2 4.2Å; I262-V266 PolarHBondContact O-N 3.25Å; A263-V266 PolarHBondContact O-N 2.88Å; D264-V266 PolarHBondContact O-N 3.49Å; V266-W270 WeakPolarHBondContact O-CB 3.42Å; V266-W270 PolarHBondContact O-N 2.87Å |
| 267 | N | 57.9 | Low | 60.7 | Low | 116 Ų | 116 | 92.2 Ų | 92.2 | 62% | 0.62 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -67.5 | -40.4 | 175.9 | -85.8 | -22.5 | 0 | 0 | 0 | 112.3 | A263 D264 W270 G271 | A263-N267 PolarHBondContact O-N 3.01Å; A263-N267 VanDerWaalsContact O-N 3.07Å; D264-N267 PolarHBondContact O-N 3.4Å; N267-W270 PolarHBondContact O-N 3Å; N267-G271 PolarHBondContact O-N 3.38Å |
| 268 | M | 56.8 | Low | 59.5 | Low | 140 Ų | 140 | 91.5 Ų | 91.5 | 69% | 0.69 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.8 | -46.9 | 175.3 | -72.2 | -175.3 | 90.2 | 0 | 0 | 111.1 | D264 W270 G271 E272 | D264-M268 WeakPolarHBondContact O-CB 3.3Å; D264-M268 VanDerWaalsContact O-CG 3.24Å; D264-M268 WeakPolarHBondContact O-CG 3.19Å; D264-M268 PolarHBondContact O-N 3.47Å; M268-W270 VanDerWaalsContact C-N 3.31Å; M268-W270 PolarHBondContact O-N 3.18Å; M268-G271 PolarHBondContact O-N 3.19Å; M268-E272 WeakPolarHBondContact O-CB 3.14Å; M268-E272 PolarHBondContact O-N 3.42Å |
| 269 | N | 61.6 | Low | 58.9 | Low | 81 Ų | 81 | 92.4 Ų | 92.4 | 43% | 0.433 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.1 | -32.8 | 180 | -162.3 | -8.3 | 0 | 0 | 0 | 112.2 | V265 K273 | V265-N269 VanDerWaalsContact O-CB 3.3Å; V265-N269 WeakPolarHBondContact O-CB 3.34Å; V265-N269 PolarHBondContact O-N 3.44Å; N269-K273 VanDerWaalsContact O-CB 3.31Å; N269-K273 WeakPolarHBondContact O-CB 3.34Å; N269-K273 VanDerWaalsContact O-CG 3.24Å; N269-K273 WeakPolarHBondContact O-CG 3.18Å; N269-K273 PolarHBondContact O-N 3.48Å; N269-K273 WeakPolarHBondContact OD1-CE 3.49Å |
| 270 | W | 54.8 | Low | 58.6 | Low | 151 Ų | 151 | 94.6 Ų | 94.6 | 57% | 0.572 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -73.6 | -44.7 | 173.1 | -115.7 | 87.7 | 0 | 0 | 0 | 112.9 | V266 N267 M268 E272 K273 V274 | V266-W270 WeakPolarHBondContact O-CB 3.42Å; V266-W270 PolarHBondContact O-N 2.87Å; N267-W270 PolarHBondContact O-N 3Å; M268-W270 VanDerWaalsContact C-N 3.31Å; M268-W270 PolarHBondContact O-N 3.18Å; W270-E272 PolarHBondContact O-N 3.03Å; W270-K273 PolarHBondContact O-N 3.3Å; W270-V274 HydrophobicContact CE3-CG2 3.55Å; W270-V274 HydrophobicContact CZ3-CG2 3.7Å; W270-V274 WeakPolarHBondContact O-CB 3.36Å; W270-V274 VanDerWaalsContact O-CG2 3.3Å; W270-V274 WeakPolarHBondContact O-CG2 3.42Å; W270-V274 PolarHBondContact O-N 3.47Å |
| 271 | G | 57 | Low | 57.8 | Low | 32 Ų | 32 | 94.1 Ų | 94.1 | 33% | 0.33 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60 | -37.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | N267 M268 K275 | N267-G271 PolarHBondContact O-N 3.38Å; M268-G271 PolarHBondContact O-N 3.19Å; G271-K275 WeakPolarHBondContact O-CB 3.48Å; G271-K275 WeakPolarHBondContact O-CG 3.38Å; G271-K275 PolarHBondContact O-N 3.2Å |
| 272 | E | 60.8 | Low | 57.2 | Low | 119 Ų | 119 | 92.4 Ų | 92.4 | 56% | 0.556 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -73.5 | -39.4 | 176.4 | -154.3 | 165.5 | -148.9 | 0 | 0 | 112.1 | M268 W270 K275 N276 | M268-E272 WeakPolarHBondContact O-CB 3.14Å; M268-E272 PolarHBondContact O-N 3.42Å; W270-E272 PolarHBondContact O-N 3.03Å; E272-K275 PolarHBondContact O-N 3.26Å; E272-N276 WeakPolarHBondContact O-CB 3.5Å; E272-N276 PolarHBondContact O-N 3.48Å |
| 273 | K | 62 | Low | 56.7 | Low | 128 Ų | 128 | 93.1 Ų | 93.1 | 56% | 0.557 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.3 | -40.3 | 170.5 | -80.4 | 177.1 | -178.5 | -176 | 0 | 112.9 | N269 W270 N276 A277 | N269-K273 VanDerWaalsContact O-CB 3.31Å; N269-K273 WeakPolarHBondContact O-CB 3.34Å; N269-K273 VanDerWaalsContact O-CG 3.24Å; N269-K273 WeakPolarHBondContact O-CG 3.18Å; N269-K273 PolarHBondContact O-N 3.48Å; N269-K273 WeakPolarHBondContact OD1-CE 3.49Å; W270-K273 PolarHBondContact O-N 3.3Å; K273-N276 PolarHBondContact O-N 2.63Å; K273-A277 VanDerWaalsContact O-CB 3.28Å; K273-A277 WeakPolarHBondContact O-CB 3.26Å; K273-A277 PolarHBondContact O-N 2.91Å |
| 274 | V | 63.4 | Low | 56 | Low | 58 Ų | 58 | 96.4 Ų | 96.4 | 35% | 0.352 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.7 | -42.8 | 175.2 | 171.2 | 0 | 0 | 0 | 0 | 110.2 | W270 N276 A277 I278 | W270-V274 HydrophobicContact CE3-CG2 3.55Å; W270-V274 HydrophobicContact CZ3-CG2 3.7Å; W270-V274 WeakPolarHBondContact O-CB 3.36Å; W270-V274 VanDerWaalsContact O-CG2 3.3Å; W270-V274 WeakPolarHBondContact O-CG2 3.42Å; W270-V274 PolarHBondContact O-N 3.47Å; V274-N276 PolarHBondContact O-N 3.29Å; V274-A277 PolarHBondContact O-N 2.87Å; V274-I278 HydrophobicContact CG1-CD1 3.52Å; V274-I278 HydrophobicContact CG1-CG1 4.21Å; V274-I278 VanDerWaalsContact O-CB 3.31Å; V274-I278 WeakPolarHBondContact O-CB 3.09Å; V274-I278 WeakPolarHBondContact O-CG1 3.45Å; V274-I278 PolarHBondContact O-N 3.1Å |
| 275 | K | 66.4 | Low | 55.1 | Low | 153 Ų | 153 | 98.7 Ų | 98.7 | 67% | 0.665 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.5 | -40.7 | 173.1 | -76 | 171.8 | -175.6 | -177.7 | 0 | 112.2 | G271 E272 I278 S279 | G271-K275 WeakPolarHBondContact O-CB 3.48Å; G271-K275 WeakPolarHBondContact O-CG 3.38Å; G271-K275 PolarHBondContact O-N 3.2Å; E272-K275 PolarHBondContact O-N 3.26Å; K275-I278 PolarHBondContact O-N 2.85Å; K275-S279 WeakPolarHBondContact O-CA 3.44Å; K275-S279 WeakPolarHBondContact O-CB 3.36Å; K275-S279 PolarHBondContact O-N 3.06Å |
| 276 | N | 61.1 | Low | 54.5 | Low | 98 Ų | 98 | 99.1 Ų | 99.1 | 52% | 0.524 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -68.5 | -41.3 | 176.2 | -77.7 | -8.8 | 0 | 0 | 0 | 111.8 | E272 K273 V274 S279 L280 | E272-N276 WeakPolarHBondContact O-CB 3.5Å; E272-N276 PolarHBondContact O-N 3.48Å; K273-N276 PolarHBondContact O-N 2.63Å; V274-N276 PolarHBondContact O-N 3.29Å; N276-S279 PolarHBondContact O-N 3.39Å; N276-L280 WeakPolarHBondContact O-CB 3.49Å; N276-L280 WeakPolarHBondContact O-CD1 3.41Å; N276-L280 WeakPolarHBondContact O-CG 3.2Å; N276-L280 PolarHBondContact O-N 3.22Å |
| 277 | A | 55.4 | Low | 53.6 | Low | 50 Ų | 50 | 100.6 Ų | 100.6 | 41% | 0.413 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.5 | -39.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | K273 V274 N281 | K273-A277 VanDerWaalsContact O-CB 3.28Å; K273-A277 WeakPolarHBondContact O-CB 3.26Å; K273-A277 PolarHBondContact O-N 2.91Å; V274-A277 PolarHBondContact O-N 2.87Å; A277-N281 VanDerWaalsContact O-CB 3.3Å; A277-N281 WeakPolarHBondContact O-CB 3.21Å; A277-N281 PolarHBondContact O-N 3.17Å |
| 278 | I | 55.6 | Low | 52.8 | Low | 106 Ų | 106 | 98.7 Ų | 98.7 | 54% | 0.544 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -69.7 | -37 | 173.5 | -67.1 | 169.2 | 0 | 0 | 0 | 110.5 | V274 K275 N281 S282 | V274-I278 HydrophobicContact CG1-CD1 3.52Å; V274-I278 HydrophobicContact CG1-CG1 4.21Å; V274-I278 VanDerWaalsContact O-CB 3.31Å; V274-I278 WeakPolarHBondContact O-CB 3.09Å; V274-I278 WeakPolarHBondContact O-CG1 3.45Å; V274-I278 PolarHBondContact O-N 3.1Å; K275-I278 PolarHBondContact O-N 2.85Å; I278-N281 CarbonylContact O-C 3.51Å; I278-N281 PolarHBondContact O-N 2.95Å; I278-S282 WeakPolarHBondContact O-CA 3.29Å; I278-S282 VanDerWaalsContact O-CB 3.26Å; I278-S282 WeakPolarHBondContact O-CB 3.08Å; I278-S282 PolarHBondContact O-N 3.12Å |
| 279 | S | 57.3 | Low | 52.5 | Low | 68 Ų | 68 | 94.7 Ų | 94.7 | 48% | 0.476 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.4 | -47 | 176.9 | 177.2 | 0 | 0 | 0 | 0 | 111 | K275 N276 N281 S282 T283 | K275-S279 WeakPolarHBondContact O-CA 3.44Å; K275-S279 WeakPolarHBondContact O-CB 3.36Å; K275-S279 PolarHBondContact O-N 3.06Å; N276-S279 PolarHBondContact O-N 3.39Å; S279-N281 VanDerWaalsContact C-N 3.34Å; S279-N281 PolarHBondContact O-N 3.18Å; S279-S282 PolarHBondContact O-N 2.95Å; S279-S282 VanDerWaalsContact O-N 3.12Å; S279-S282 PolarHBondContact O-OG 3.33Å; S279-T283 PolarHBondContact O-N 3.01Å; S279-T283 PolarHBondContact O-OG1 2.92Å |
| 280 | L | 52.6 | Low | 51.9 | Low | 121 Ų | 121 | 96.3 Ų | 96.3 | 63% | 0.634 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.4 | -39.7 | 174.5 | -75.9 | 159 | 0 | 0 | 0 | 111.7 | N276 T283 | N276-L280 WeakPolarHBondContact O-CB 3.49Å; N276-L280 WeakPolarHBondContact O-CD1 3.41Å; N276-L280 WeakPolarHBondContact O-CG 3.2Å; N276-L280 PolarHBondContact O-N 3.22Å; L280-T283 PolarHBondContact O-OG1 3.47Å |
| 281 | N | 46.2 | Very low | 51.8 | Low | 111 Ų | 111 | 95 Ų | 95 | 59% | 0.594 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -74 | -26.6 | 173.9 | -77.3 | -14.6 | 0 | 0 | 0 | 112.7 | A277 I278 S279 T283 C284 F285 | A277-N281 VanDerWaalsContact O-CB 3.3Å; A277-N281 WeakPolarHBondContact O-CB 3.21Å; A277-N281 PolarHBondContact O-N 3.17Å; I278-N281 CarbonylContact O-C 3.51Å; I278-N281 PolarHBondContact O-N 2.95Å; S279-N281 VanDerWaalsContact C-N 3.34Å; S279-N281 PolarHBondContact O-N 3.18Å; N281-T283 VanDerWaalsContact C-N 3.34Å; N281-C284 CarbonylContact O-C 3.55Å; N281-C284 WeakPolarHBondContact O-CA 3.45Å; N281-C284 WeakPolarHBondContact O-CB 3.43Å; N281-C284 PolarHBondContact O-N 3.03Å; N281-C284 VanDerWaalsContact O-N 3.09Å; N281-F285 VanDerWaalsContact O-CB 3.31Å; N281-F285 WeakPolarHBondContact O-CB 3.41Å; N281-F285 PolarHBondContact O-N 3.11Å |
| 282 | S | 47.8 | Very low | 51.3 | Low | 54 Ų | 54 | 96.2 Ų | 96.2 | 38% | 0.378 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -70.1 | -33.3 | 177.4 | 84.1 | 0 | 0 | 0 | 0 | 111.2 | I278 S279 C284 F285 V286 | I278-S282 WeakPolarHBondContact O-CA 3.29Å; I278-S282 VanDerWaalsContact O-CB 3.26Å; I278-S282 WeakPolarHBondContact O-CB 3.08Å; I278-S282 PolarHBondContact O-N 3.12Å; S279-S282 PolarHBondContact O-N 2.95Å; S279-S282 VanDerWaalsContact O-N 3.12Å; S279-S282 PolarHBondContact O-OG 3.33Å; S282-C284 PolarHBondContact O-N 3.5Å; S282-F285 PolarHBondContact O-N 3.49Å; S282-V286 WeakPolarHBondContact O-CG2 3.31Å; S282-V286 PolarHBondContact O-N 3.47Å |
| 283 | T | 47.3 | Very low | 50.4 | Low | 97 Ų | 97 | 91.5 Ų | 91.5 | 60% | 0.595 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.2 | -29.4 | 169.2 | 24.8 | 0 | 0 | 0 | 0 | 112.6 | S279 L280 N281 | S279-T283 PolarHBondContact O-N 3.01Å; S279-T283 PolarHBondContact O-OG1 2.92Å; L280-T283 PolarHBondContact O-OG1 3.47Å; N281-T283 VanDerWaalsContact C-N 3.34Å |
| 284 | C | 38.4 | Very low | 49.9 | Very low | 86 Ų | 86 | 92.2 Ų | 92.2 | 58% | 0.581 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -83.3 | -33.3 | 171.1 | -62.4 | 0 | 0 | 0 | 0 | 112.7 | N281 S282 C287 S288 | N281-C284 CarbonylContact O-C 3.55Å; N281-C284 WeakPolarHBondContact O-CA 3.45Å; N281-C284 WeakPolarHBondContact O-CB 3.43Å; N281-C284 PolarHBondContact O-N 3.03Å; N281-C284 VanDerWaalsContact O-N 3.09Å; S282-C284 PolarHBondContact O-N 3.5Å; C284-C287 PolarHBondContact O-N 3.37Å; C284-S288 PolarHBondContact O-N 3.31Å |
| 285 | F | 38.2 | Very low | 48.9 | Very low | 141 Ų | 141 | 97.5 Ų | 97.5 | 62% | 0.618 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -73 | -32.7 | -176.9 | -154.3 | -101.7 | 0 | 0 | 0 | 111.8 | N281 S282 C287 S288 T289 | N281-F285 VanDerWaalsContact O-CB 3.31Å; N281-F285 WeakPolarHBondContact O-CB 3.41Å; N281-F285 PolarHBondContact O-N 3.11Å; S282-F285 PolarHBondContact O-N 3.49Å; F285-C287 PolarHBondContact O-N 2.9Å; F285-S288 PolarHBondContact O-N 3.34Å; F285-S288 VanDerWaalsContact O-N 3.1Å; F285-T289 WeakPolarHBondContact CD1-OG1 3.07Å; F285-T289 VanDerWaalsContact CE1-OG1 3.29Å; F285-T289 WeakPolarHBondContact CE1-OG1 3.44Å; F285-T289 WeakPolarHBondContact O-CB 3.26Å; F285-T289 PolarHBondContact O-N 3.06Å; F285-T289 PolarHBondContact O-OG1 3.08Å |
| 286 | V | 45.1 | Very low | 48.1 | Very low | 99 Ų | 99 | 94 Ų | 94 | 60% | 0.6 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62.5 | -29.2 | 173.5 | 175.1 | 0 | 0 | 0 | 0 | 111.3 | S282 | S282-V286 WeakPolarHBondContact O-CG2 3.31Å; S282-V286 PolarHBondContact O-N 3.47Å |
| 287 | C | 40.6 | Very low | 47.7 | Very low | 103 Ų | 103 | 94.5 Ų | 94.5 | 70% | 0.696 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -73 | -34.7 | 172.3 | -78.3 | 0 | 0 | 0 | 0 | 113.4 | C284 F285 | C284-C287 PolarHBondContact O-N 3.37Å; F285-C287 PolarHBondContact O-N 2.9Å |
| 288 | S | 41.4 | Very low | 47.4 | Very low | 77 Ų | 77 | 96.7 Ų | 96.7 | 54% | 0.538 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -81.3 | -30.3 | 177.5 | -78 | 0 | 0 | 0 | 0 | 114 | C284 F285 V290 V291 S292 | C284-S288 PolarHBondContact O-N 3.31Å; F285-S288 PolarHBondContact O-N 3.34Å; F285-S288 VanDerWaalsContact O-N 3.1Å; S288-V290 VanDerWaalsContact C-N 3.35Å; S288-V290 PolarHBondContact O-N 3.45Å; S288-V291 PolarHBondContact O-N 2.86Å; S288-S292 PolarHBondContact O-N 3.13Å; S288-S292 PolarHBondContact O-OG 3.4Å |
| 289 | T | 48.9 | Very low | 47.1 | Very low | 56 Ų | 56 | 95.7 Ų | 95.7 | 34% | 0.344 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -75.4 | -21.8 | -171.9 | -42.4 | 0 | 0 | 0 | 0 | 113.3 | F285 V291 S292 G293 | F285-T289 WeakPolarHBondContact CD1-OG1 3.07Å; F285-T289 VanDerWaalsContact CE1-OG1 3.29Å; F285-T289 WeakPolarHBondContact CE1-OG1 3.44Å; F285-T289 WeakPolarHBondContact O-CB 3.26Å; F285-T289 PolarHBondContact O-N 3.06Å; F285-T289 PolarHBondContact O-OG1 3.08Å; T289-V291 PolarHBondContact O-N 3.46Å; T289-S292 PolarHBondContact O-N 3.09Å; T289-G293 PolarHBondContact O-N 3.31Å |
| 290 | V | 50.6 | Low | 46.6 | Very low | 114 Ų | 114 | 99.8 Ų | 99.8 | 69% | 0.691 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66.2 | -28.7 | 172.7 | -179.4 | 0 | 0 | 0 | 0 | 111 | S288 | S288-V290 VanDerWaalsContact C-N 3.35Å; S288-V290 PolarHBondContact O-N 3.45Å |
| 291 | V | 51.1 | Low | 46.2 | Very low | 123 Ų | 123 | 99.4 Ų | 99.4 | 75% | 0.745 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -85.3 | -31.7 | -179.7 | -175 | 0 | 0 | 0 | 0 | 112 | S288 T289 | S288-V291 PolarHBondContact O-N 2.86Å; T289-V291 PolarHBondContact O-N 3.46Å |
| 292 | S | 48.1 | Very low | 46.6 | Very low | 58 Ų | 58 | 98.3 Ų | 98.3 | 41% | 0.406 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -94 | -19.2 | -179.8 | 56.6 | 0 | 0 | 0 | 0 | 115 | S288 T289 L294 F295 T296 | S288-S292 PolarHBondContact O-N 3.13Å; S288-S292 PolarHBondContact O-OG 3.4Å; T289-S292 PolarHBondContact O-N 3.09Å; S292-L294 PolarHBondContact O-N 3.5Å; S292-F295 PolarHBondContact O-N 3.43Å; S292-T296 PolarHBondContact O-N 3.14Å |
| 293 | G | 41.3 | Very low | 46.5 | Very low | 21 Ų | 21 | 102.7 Ų | 102.7 | 22% | 0.216 | 58% | 0.577 | C | S | . | * | H | α-helix | trans | -62 | -25.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | T289 F295 T296 I297 | T289-G293 PolarHBondContact O-N 3.31Å; G293-F295 VanDerWaalsContact C-N 3.31Å; G293-T296 PolarHBondContact O-OG1 3.36Å; G293-I297 WeakPolarHBondContact O-CG1 3.44Å |
| 294 | L | 50.3 | Low | 46.4 | Very low | 143 Ų | 143 | 105.1 Ų | 105.1 | 75% | 0.749 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -74.1 | -20.2 | 174.1 | -79.9 | 161.1 | 0 | 0 | 0 | 113.1 | S292 | S292-L294 PolarHBondContact O-N 3.5Å |
| 295 | F | 44.1 | Very low | 46.8 | Very low | 169 Ų | 169 | 108.2 Ų | 108.2 | 74% | 0.741 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -88.9 | -30.2 | -179.5 | -146 | -101.4 | 0 | 0 | 0 | 112.3 | S292 G293 | S292-F295 PolarHBondContact O-N 3.43Å; G293-F295 VanDerWaalsContact C-N 3.31Å |
| 296 | T | 49.3 | Very low | 47 | Very low | 79 Ų | 79 | 108.1 Ų | 108.1 | 49% | 0.485 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -83.8 | -22.2 | -176.4 | 44.4 | 0 | 0 | 0 | 0 | 115 | S292 G293 T298 T299 F300 | S292-T296 PolarHBondContact O-N 3.14Å; G293-T296 PolarHBondContact O-OG1 3.36Å; T296-T298 PolarHBondContact O-N 3.02Å; T296-T299 PolarHBondContact O-N 3.36Å; T296-T299 PolarHBondContact O-OG1 3.16Å; T296-T299 VanDerWaalsContact O-OG1 3.06Å; T296-F300 PolarHBondContact O-N 3.28Å; T296-F300 VanDerWaalsContact O-N 3.14Å |
| 297 | I | 52.2 | Low | 47.3 | Very low | 109 Ų | 109 | 107.4 Ų | 107.4 | 56% | 0.559 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -67.3 | -29.3 | 177.6 | -67.1 | 169 | 0 | 0 | 0 | 110.9 | G293 N301 | G293-I297 WeakPolarHBondContact O-CG1 3.44Å; I297-N301 PolarHBondContact O-ND2 3Å |
| 298 | T | 48.4 | Very low | 47.6 | Very low | 95 Ų | 95 | 106.8 Ų | 106.8 | 58% | 0.583 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -72.5 | -39 | 177.6 | -20.3 | 0 | 0 | 0 | 0 | 111.6 | T296 | T296-T298 PolarHBondContact O-N 3.02Å |
| 299 | T | 49.6 | Very low | 48.1 | Very low | 85 Ų | 85 | 108 Ų | 108 | 52% | 0.521 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -74.7 | -33.5 | 179.9 | 54.8 | 0 | 0 | 0 | 0 | 112.7 | T296 N301 V302 F303 | T296-T299 PolarHBondContact O-N 3.36Å; T296-T299 PolarHBondContact O-OG1 3.16Å; T296-T299 VanDerWaalsContact O-OG1 3.06Å; T299-N301 VanDerWaalsContact C-N 3.34Å; T299-N301 PolarHBondContact O-N 3.35Å; T299-V302 PolarHBondContact O-N 3.15Å; T299-F303 PolarHBondContact O-N 3.29Å; T299-F303 VanDerWaalsContact O-N 3.09Å |
| 300 | F | 46.4 | Very low | 48.1 | Very low | 155 Ų | 155 | 111 Ų | 111 | 68% | 0.68 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -66.4 | -34.7 | 178.5 | -144.6 | -92.6 | 0 | 0 | 0 | 112.8 | T296 F303 Y304 | T296-F300 PolarHBondContact O-N 3.28Å; T296-F300 VanDerWaalsContact O-N 3.14Å; F300-F303 PolarHBondContact O-N 3.2Å; F300-Y304 HydrophobicContact CE1-CD2 4.37Å; F300-Y304 PolarHBondContact O-N 3.33Å; F300-Y304 VanDerWaalsContact O-N 3.08Å |
| 301 | N | 45.7 | Very low | 47.8 | Very low | 112 Ų | 112 | 110.9 Ų | 110.9 | 60% | 0.599 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -70.2 | -35.3 | 175.8 | -81.3 | -62.8 | 0 | 0 | 0 | 112.8 | I297 T299 F305 | I297-N301 PolarHBondContact O-ND2 3Å; T299-N301 VanDerWaalsContact C-N 3.34Å; T299-N301 PolarHBondContact O-N 3.35Å; N301-F305 PolarHBondContact O-N 3.36Å |
| 302 | V | 53.9 | Low | 47.7 | Very low | 89 Ų | 89 | 111.2 Ų | 111.2 | 54% | 0.539 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -68.6 | -39.7 | 176 | 178.6 | 0 | 0 | 0 | 0 | 110.8 | T299 F305 F306 | T299-V302 PolarHBondContact O-N 3.15Å; V302-F305 PolarHBondContact O-N 3.38Å; V302-F306 PolarHBondContact O-N 3.36Å |
| 303 | F | 45.8 | Very low | 47.6 | Very low | 146 Ų | 146 | 116 Ų | 116 | 64% | 0.64 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -70 | -38.4 | -179.5 | -147.2 | -101.9 | 0 | 0 | 0 | 112.6 | T299 F300 F305 F306 I307 | T299-F303 PolarHBondContact O-N 3.29Å; T299-F303 VanDerWaalsContact O-N 3.09Å; F300-F303 PolarHBondContact O-N 3.2Å; F303-F305 VanDerWaalsContact C-N 3.31Å; F303-F305 PolarHBondContact O-N 3.36Å; F303-F306 PolarHBondContact O-N 3.36Å; F303-I307 HydrophobicContact CD1-CD1 3.71Å; F303-I307 HydrophobicContact CD1-CG1 4.35Å; F303-I307 HydrophobicContact CE1-CD1 3.72Å; F303-I307 HydrophobicContact CE1-CG1 4.39Å; F303-I307 PolarHBondContact O-N 3.44Å; F303-I307 VanDerWaalsContact O-N 3.13Å |
| 304 | Y | 45.8 | Very low | 47.5 | Very low | 147 Ų | 147 | 123.2 Ų | 123.2 | 58% | 0.576 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -69.7 | -29.3 | 176.9 | -140.3 | -89.2 | 0 | 0 | 0 | 112.6 | F300 N308 | F300-Y304 HydrophobicContact CE1-CD2 4.37Å; F300-Y304 PolarHBondContact O-N 3.33Å; F300-Y304 VanDerWaalsContact O-N 3.08Å; Y304-N308 PolarHBondContact O-N 3.39Å |
| 305 | F | 46.4 | Very low | 47 | Very low | 151 Ų | 151 | 127.3 Ų | 127.3 | 66% | 0.662 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -69.6 | -36.6 | 173.7 | -144.6 | -89.4 | 0 | 0 | 0 | 111.8 | N301 V302 F303 L309 | N301-F305 PolarHBondContact O-N 3.36Å; V302-F305 PolarHBondContact O-N 3.38Å; F303-F305 VanDerWaalsContact C-N 3.31Å; F303-F305 PolarHBondContact O-N 3.36Å; F305-L309 HydrophobicContact CD1-CD1 3.88Å; F305-L309 HydrophobicContact CE1-CD1 4Å; F305-L309 PolarHBondContact O-N 3.44Å |
| 306 | F | 41.8 | Very low | 46.6 | Very low | 140 Ų | 140 | 126.3 Ų | 126.3 | 61% | 0.614 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -71.5 | -38 | 177.8 | -105.2 | -87.4 | 0 | 0 | 0 | 113.6 | V302 F303 N310 | V302-F306 PolarHBondContact O-N 3.36Å; F303-F306 PolarHBondContact O-N 3.36Å; F306-N310 PolarHBondContact O-N 3.37Å |
| 307 | I | 52.4 | Low | 46.5 | Very low | 83 Ų | 83 | 134.3 Ų | 134.3 | 43% | 0.426 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -69.8 | -36.4 | 179.6 | -67.2 | 176.2 | 0 | 0 | 0 | 111.7 | F303 N310 N311 | F303-I307 HydrophobicContact CD1-CD1 3.71Å; F303-I307 HydrophobicContact CD1-CG1 4.35Å; F303-I307 HydrophobicContact CE1-CD1 3.72Å; F303-I307 HydrophobicContact CE1-CG1 4.39Å; F303-I307 PolarHBondContact O-N 3.44Å; F303-I307 VanDerWaalsContact O-N 3.13Å; I307-N310 PolarHBondContact O-N 3.29Å; I307-N311 PolarHBondContact O-N 3.21Å |
| 308 | N | 46.5 | Very low | 46.2 | Very low | 91 Ų | 91 | 135.6 Ų | 135.6 | 49% | 0.487 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -71.1 | -31.4 | 179.1 | -86.9 | -35 | 0 | 0 | 0 | 113.2 | Y304 | Y304-N308 PolarHBondContact O-N 3.39Å |
| 309 | L | 50.6 | Low | 46.1 | Very low | 102 Ų | 102 | 137.7 Ų | 137.7 | 53% | 0.534 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -70.1 | -32.8 | 175.3 | -82.6 | 159.9 | 0 | 0 | 0 | 112.9 | F305 | F305-L309 HydrophobicContact CD1-CD1 3.88Å; F305-L309 HydrophobicContact CE1-CD1 4Å; F305-L309 PolarHBondContact O-N 3.44Å |
| 310 | N | 49.2 | Very low | 45.9 | Very low | 119 Ų | 119 | 140.7 Ų | 140.7 | 64% | 0.636 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -78.2 | -21.9 | 179.7 | -89.7 | -9.3 | 0 | 0 | 0 | 114 | F306 I307 | F306-N310 PolarHBondContact O-N 3.37Å; I307-N310 PolarHBondContact O-N 3.29Å |
| 311 | N | 45.5 | Very low | 45.9 | Very low | 112 Ų | 112 | 139.8 Ų | 139.8 | 60% | 0.599 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -82 | -25.3 | 177.6 | -89.4 | -29.4 | 0 | 0 | 0 | 113.8 | I307 | I307-N311 PolarHBondContact O-N 3.21Å |
| 312 | D | 48.9 | Very low | 45.9 | Very low | 129 Ų | 129 | 141.6 Ų | 141.6 | 69% | 0.69 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -78.2 | -22.4 | 178.6 | -90.1 | -23.2 | 0 | 0 | 0 | 113.3 | H314 | D312-H314 VanDerWaalsContact C-N 3.29Å; D312-H314 PolarHBondContact O-N 3.23Å |
| 313 | H | 45.2 | Very low | 45.3 | Very low | 159 Ų | 159 | 145.1 Ų | 145.1 | 74% | 0.736 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | -14.6 | 178.7 | -102.5 | -69.8 | 0 | 0 | 0 | 114.6 | ||
| 314 | H | 40.3 | Very low | 45.3 | Very low | 173 Ų | 173 | 145 Ų | 145 | 80% | 0.801 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | 11.5 | -176 | -110.6 | -65.4 | 0 | 0 | 0 | 115.2 | D312 | D312-H314 VanDerWaalsContact C-N 3.29Å; D312-H314 PolarHBondContact O-N 3.23Å |
| 315 | R | 38.4 | Very low | 45.3 | Very low | 228 Ų | 228 | 144.8 Ų | 144.8 | 86% | 0.86 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -114.7 | 8.5 | 177.6 | -104.1 | -174.7 | 171.4 | -170.3 | -1.9 | 116.1 | ||
| 316 | I | 37.3 | Very low | 45.2 | Very low | 149 Ų | 149 | 144.3 Ų | 144.3 | 76% | 0.764 | 70% | 0.703 | S | S | * | * | trans | -127.1 | 77.4 | 175.2 | -50 | 176.8 | 0 | 0 | 0 | 109.3 | ||||
| 317 | L | 46 | Very low | 45.5 | Very low | 247 Ų | 247 | 144.7 Ų | 144.7 | 100% | 1.293 | 71% | 0.711 | S | S | * | * | trans | -163.4 | 0 | 154.1 | -98.5 | 166.8 | 0 | 0 | 0 | 107.4 |
Retrieved 317 of 317 residues in 201.9 ms
(Link to these results)