| 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 | 41.5 | Very low | 52.7 | Low | 240 Ų | 240 | 131.7 Ų | 131.7 | 100% | 1.182 | 76% | 0.762 | S | S | * | * | 0 | 126.7 | 0 | -67.7 | -175.3 | 168.4 | 0 | 0 | 108 | |||||
| 2 | P | 47.2 | Very low | 52.5 | Low | 135 Ų | 135 | 130.6 Ų | 130.6 | 88% | 0.877 | 75% | 0.75 | S | S | * | * | trans | -80.9 | 133.8 | -175 | 31.2 | -32.7 | 0 | 0 | 0 | 111.9 | ||||
| 3 | A | 51.1 | Low | 52.3 | Low | 111 Ų | 111 | 127.3 Ų | 127.3 | 92% | 0.917 | 75% | 0.748 | S | S | * | * | trans | -81.2 | 116.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 4 | G | 53.6 | Low | 51.9 | Low | 69 Ų | 69 | 122.7 Ų | 122.7 | 71% | 0.711 | 74% | 0.741 | S | S | * | * | trans | -164 | 6.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 5 | M | 58.5 | Low | 51.6 | Low | 174 Ų | 174 | 127.5 Ų | 127.5 | 86% | 0.857 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -106.7 | 8.1 | -171.1 | -68.4 | -169.6 | 70.8 | 0 | 0 | 115.8 | ||
| 6 | F | 52.7 | Low | 51.1 | Low | 204 Ų | 204 | 127 Ų | 127 | 90% | 0.895 | 74% | 0.742 | S | S | * | * | trans | -130 | 33.9 | -178 | -65.3 | -70 | 0 | 0 | 0 | 114 | ||||
| 7 | S | 53.1 | Low | 50.7 | Low | 61 Ų | 61 | 126.7 Ų | 126.7 | 43% | 0.427 | 74% | 0.743 | S | S | . | * | trans | -76.6 | 135.5 | 162.7 | -160 | 0 | 0 | 0 | 0 | 110.3 | D9 S10 | S7-D9 PolarHBondContact O-N 3.17Å; S7-D9 PolarHBondContact OG-OD2 3.32Å; S7-S10 PolarHBondContact O-N 3.44Å | ||
| 8 | I | 58 | Low | 50.3 | Low | 126 Ų | 126 | 127.1 Ų | 127.1 | 65% | 0.646 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | -29.8 | -178.4 | -63.7 | 173.4 | 0 | 0 | 0 | 110.8 | S10 I11 | I8-S10 VanDerWaalsContact C-N 3.29Å; I8-S10 PolarHBondContact O-N 3Å; I8-I11 WeakPolarHBondContact O-CB 3.47Å; I8-I11 PolarHBondContact O-N 3.4Å; I8-I11 VanDerWaalsContact O-N 3.09Å |
| 9 | D | 57.5 | Low | 50.1 | Low | 111 Ų | 111 | 129.6 Ų | 129.6 | 59% | 0.594 | 75% | 0.752 | S | S | * | * | H | α-helix | trans | -62.7 | -32.7 | -178.3 | -48.9 | -57.3 | 0 | 0 | 0 | 113 | S7 I11 L12 A13 | S7-D9 PolarHBondContact O-N 3.17Å; S7-D9 PolarHBondContact OG-OD2 3.32Å; D9-I11 PolarHBondContact O-N 3.14Å; D9-L12 PolarHBondContact O-N 3.47Å; D9-A13 PolarHBondContact O-N 3.17Å |
| 10 | S | 50.4 | Low | 49.2 | Very low | 82 Ų | 82 | 130.7 Ų | 130.7 | 57% | 0.573 | 76% | 0.755 | S | S | * | * | H | α-helix | trans | -66.8 | -24.1 | 177 | -56.8 | 0 | 0 | 0 | 0 | 113 | S7 I8 | S7-S10 PolarHBondContact O-N 3.44Å; I8-S10 VanDerWaalsContact C-N 3.29Å; I8-S10 PolarHBondContact O-N 3Å |
| 11 | I | 55.9 | Low | 48.9 | Very low | 136 Ų | 136 | 130 Ų | 130 | 70% | 0.697 | 76% | 0.758 | S | S | * | * | H | α-helix | trans | -81.1 | -26.5 | 177.6 | -57.2 | 175.8 | 0 | 0 | 0 | 110.9 | I8 D9 | I8-I11 WeakPolarHBondContact O-CB 3.47Å; I8-I11 PolarHBondContact O-N 3.4Å; I8-I11 VanDerWaalsContact O-N 3.09Å; D9-I11 PolarHBondContact O-N 3.14Å |
| 12 | L | 50.6 | Low | 48.8 | Very low | 118 Ų | 118 | 124.5 Ų | 124.5 | 62% | 0.618 | 74% | 0.738 | S | S | * | * | H | α-helix | trans | -81.7 | -34.5 | 175.8 | -80.8 | 157 | 0 | 0 | 0 | 112.6 | D9 G14 | D9-L12 PolarHBondContact O-N 3.47Å; L12-G14 PolarHBondContact O-N 3.27Å |
| 13 | A | 50 | Low | 48.7 | Very low | 88 Ų | 88 | 126.1 Ų | 126.1 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | H | α-helix | trans | -66.1 | -22.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | D9 R15 | D9-A13 PolarHBondContact O-N 3.17Å; A13-R15 VanDerWaalsContact C-N 3.34Å; A13-R15 PolarHBondContact O-N 3.29Å |
| 14 | G | 46.7 | Very low | 48 | Very low | 63 Ų | 63 | 128.4 Ų | 128.4 | 65% | 0.649 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | 9.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | L12 | L12-G14 PolarHBondContact O-N 3.27Š|
| 15 | R | 47.6 | Very low | 47.2 | Very low | 195 Ų | 195 | 133 Ų | 133 | 74% | 0.736 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -89.9 | 124.1 | 175 | -78.2 | -173.7 | 168.3 | -166.1 | -2.9 | 110.6 | A13 T17 | A13-R15 VanDerWaalsContact C-N 3.34Å; A13-R15 PolarHBondContact O-N 3.29Å; R15-T17 PolarHBondContact O-N 2.99Å; R15-T17 VanDerWaalsContact O-N 3.09Å |
| 16 | P | 42.6 | Very low | 46.3 | Very low | 119 Ų | 119 | 136 Ų | 136 | 77% | 0.773 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 116.7 | 171.9 | 26.5 | -32.7 | 0 | 0 | 0 | 109.1 | C18 | P16-C18 PolarHBondContact O-N 3.43Š|
| 17 | T | 44.2 | Very low | 45.7 | Very low | 122 Ų | 122 | 132.6 Ų | 132.6 | 75% | 0.748 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 116.9 | 172.7 | 45.6 | 0 | 0 | 0 | 0 | 109.1 | R15 K19 | R15-T17 PolarHBondContact O-N 2.99Å; R15-T17 VanDerWaalsContact O-N 3.09Å; T17-K19 PolarHBondContact O-N 2.86Å |
| 18 | C | 44.2 | Very low | 45.5 | Very low | 133 Ų | 133 | 134.6 Ų | 134.6 | 90% | 0.899 | 74% | 0.741 | S | S | * | * | trans | -71.9 | 77.5 | 172.2 | -62.1 | 0 | 0 | 0 | 0 | 110.7 | P16 | P16-C18 PolarHBondContact O-N 3.43Š| ||
| 19 | K | 47.2 | Very low | 44.7 | Very low | 175 Ų | 175 | 134 Ų | 134 | 76% | 0.761 | 75% | 0.745 | S | S | * | * | trans | -136.8 | 98.3 | 162.9 | -69.5 | -172.2 | 178.9 | -175.9 | 0 | 107.1 | T17 | T17-K19 PolarHBondContact O-N 2.86Š| ||
| 20 | D | 31.2 | Very low | 44 | Very low | 152 Ų | 152 | 134.3 Ų | 134.3 | 81% | 0.813 | 75% | 0.751 | S | S | * | * | -179.7 | 142.2 | 111.9 | -85.5 | -19.2 | 0 | 0 | 0 | 111.4 | V22 | D20-V22 PolarHBondContact O-N 3.09Å; D20-V22 VanDerWaalsContact O-N 3.12Å | |||
| 21 | S | 43.8 | Very low | 43.6 | Very low | 117 Ų | 117 | 136.2 Ų | 136.2 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | trans | -79.5 | 89.7 | -178.7 | -63.5 | 0 | 0 | 0 | 0 | 110.5 | L23 | S21-L23 PolarHBondContact O-N 2.87Š| ||
| 22 | V | 38.3 | Very low | 42.5 | Very low | 124 Ų | 124 | 139 Ų | 139 | 75% | 0.752 | 77% | 0.766 | S | S | * | * | trans | -72.3 | 100.2 | 167.3 | -175.7 | 0 | 0 | 0 | 0 | 108.9 | D20 L24 | D20-V22 PolarHBondContact O-N 3.09Å; D20-V22 VanDerWaalsContact O-N 3.12Å; V22-L24 HydrophobicContact CG1-CG 4.2Å; V22-L24 PolarHBondContact O-N 3.44Å | ||
| 23 | L | 45.1 | Very low | 41.8 | Very low | 168 Ų | 168 | 137.5 Ų | 137.5 | 88% | 0.88 | 77% | 0.765 | S | S | * | * | trans | -67.1 | 81.1 | 167.5 | -72.8 | 174.9 | 0 | 0 | 0 | 109.9 | S21 H25 | S21-L23 PolarHBondContact O-N 2.87Å; L23-H25 PolarHBondContact O-N 2.81Å | ||
| 24 | L | 37.3 | Very low | 41.1 | Very low | 159 Ų | 159 | 140.4 Ų | 140.4 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | trans | -73.5 | 107.7 | 164.8 | -94 | 172.2 | 0 | 0 | 0 | 109.4 | V22 R26 | V22-L24 HydrophobicContact CG1-CG 4.2Å; V22-L24 PolarHBondContact O-N 3.44Å; L24-R26 PolarHBondContact O-N 3.03Å; L24-R26 VanDerWaalsContact O-N 3.17Å | ||
| 25 | H | 36.8 | Very low | 40.8 | Very low | 166 Ų | 166 | 145.7 Ų | 145.7 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | trans | -52.6 | 114.2 | 177.8 | -148.5 | 76 | 0 | 0 | 0 | 110.3 | L23 N27 | L23-H25 PolarHBondContact O-N 2.81Å; H25-N27 PolarHBondContact O-N 3.07Å; H25-N27 VanDerWaalsContact O-N 3.11Å | ||
| 26 | R | 39.1 | Very low | 40.6 | Very low | 237 Ų | 237 | 142.4 Ų | 142.4 | 89% | 0.894 | 78% | 0.783 | S | S | * | * | trans | -78.6 | 95.8 | 178.5 | -175.7 | -179.6 | 179.5 | -171.8 | -1 | 108.6 | L24 | L24-R26 PolarHBondContact O-N 3.03Å; L24-R26 VanDerWaalsContact O-N 3.17Å | ||
| 27 | N | 40.5 | Very low | 40.1 | Very low | 132 Ų | 132 | 144.4 Ų | 144.4 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 132.3 | 170.9 | -75.6 | -37.5 | 0 | 0 | 0 | 110 | H25 | H25-N27 PolarHBondContact O-N 3.07Å; H25-N27 VanDerWaalsContact O-N 3.11Å |
| 28 | P | 47.9 | Very low | 39.9 | Very low | 103 Ų | 103 | 143.4 Ų | 143.4 | 67% | 0.669 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 152.7 | 172.3 | 30.1 | -34.1 | 0 | 0 | 0 | 110.1 | V30 | P28-V30 PolarHBondContact O-N 3.4Š|
| 29 | P | 42.2 | Very low | 39.5 | Very low | 114 Ų | 114 | 144 Ų | 144 | 74% | 0.74 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 125.8 | 171.2 | 28.5 | -32.7 | 0 | 0 | 0 | 109.3 | V31 | P29-V31 PolarHBondContact O-N 2.96Š|
| 30 | V | 41.8 | Very low | 38.9 | Very low | 117 Ų | 117 | 146.1 Ų | 146.1 | 71% | 0.709 | 78% | 0.783 | S | S | * | * | trans | -66.9 | 114.8 | 171.5 | -179.8 | 0 | 0 | 0 | 0 | 107.9 | P28 F32 | P28-V30 PolarHBondContact O-N 3.4Å; V30-F32 HydrophobicContact CG1-CD2 3.79Å; V30-F32 HydrophobicContact CG1-CE2 3.58Å; V30-F32 HydrophobicContact CG1-CZ 4.36Å; V30-F32 PolarHBondContact O-N 2.99Å | ||
| 31 | V | 42.7 | Very low | 39.4 | Very low | 123 Ų | 123 | 144.3 Ų | 144.3 | 75% | 0.745 | 78% | 0.778 | S | S | * | * | trans | -83 | 102.6 | 176.9 | -163.1 | 0 | 0 | 0 | 0 | 107.9 | P29 S33 | P29-V31 PolarHBondContact O-N 2.96Å; V31-S33 PolarHBondContact O-N 3.25Å | ||
| 32 | F | 33.3 | Very low | 39.2 | Very low | 193 Ų | 193 | 143.8 Ų | 143.8 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | trans | -86.4 | 103.1 | 165 | -86.3 | -79.2 | 0 | 0 | 0 | 109.1 | V30 | V30-F32 HydrophobicContact CG1-CD2 3.79Å; V30-F32 HydrophobicContact CG1-CE2 3.58Å; V30-F32 HydrophobicContact CG1-CZ 4.36Å; V30-F32 PolarHBondContact O-N 2.99Å | ||
| 33 | S | 35.1 | Very low | 39.5 | Very low | 87 Ų | 87 | 142.9 Ų | 142.9 | 61% | 0.608 | 78% | 0.775 | S | S | * | * | trans | -79.5 | 141.9 | 167.7 | -61.5 | 0 | 0 | 0 | 0 | 110.3 | V31 | V31-S33 PolarHBondContact O-N 3.25Š| ||
| 34 | N | 36.2 | Very low | 39.4 | Very low | 150 Ų | 150 | 141.9 Ų | 141.9 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | trans | 70.2 | 104 | 164.3 | -49.8 | -12.5 | 0 | 0 | 0 | 116.6 | ||||
| 35 | L | 39.5 | Very low | 39.3 | Very low | 174 Ų | 174 | 145.9 Ų | 145.9 | 91% | 0.911 | 78% | 0.777 | S | S | * | * | -146 | 113.3 | 113.5 | -132.2 | 81.9 | 0 | 0 | 0 | 108.8 | |||||
| 36 | T | 44.1 | Very low | 39.5 | Very low | 126 Ų | 126 | 146.1 Ų | 146.1 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | trans | -74.6 | 124.6 | 155.9 | 45.7 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 37 | D | 31.3 | Very low | 39.7 | Very low | 160 Ų | 160 | 137.9 Ų | 137.9 | 86% | 0.856 | 77% | 0.773 | S | S | * | * | -161.7 | 163.9 | 124.4 | -118.5 | -44.4 | 0 | 0 | 0 | 114.2 | |||||
| 38 | S | 40 | Very low | 39.7 | Very low | 102 Ų | 102 | 139.3 Ų | 139.3 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | trans | -69.6 | 179.3 | -174.4 | -167 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 39 | I | 36.4 | Very low | 38.9 | Very low | 146 Ų | 146 | 145.5 Ų | 145.5 | 75% | 0.749 | 79% | 0.791 | S | S | * | * | trans | 92.5 | 87.9 | 169.9 | -48.6 | 158 | 0 | 0 | 0 | 114.8 | ||||
| 40 | Y | 35.3 | Very low | 38.8 | Very low | 219 Ų | 219 | 146 Ų | 146 | 86% | 0.859 | 80% | 0.797 | S | S | * | * | -156.8 | 142.3 | 109.3 | -120.3 | -88.1 | 0 | 0 | 0 | 110.5 | |||||
| 41 | T | 39.9 | Very low | 38.8 | Very low | 114 Ų | 114 | 148.8 Ų | 148.8 | 70% | 0.699 | 80% | 0.802 | S | S | * | * | trans | -76.6 | 130.8 | -164.8 | 45.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 42 | A | 39.6 | Very low | 38.4 | Very low | 106 Ų | 106 | 147.9 Ų | 147.9 | 88% | 0.876 | 81% | 0.807 | S | S | * | * | trans | -98.6 | 79.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 43 | T | 45.3 | Very low | 38.8 | Very low | 105 Ų | 105 | 144.7 Ų | 144.7 | 64% | 0.644 | 80% | 0.804 | S | S | * | * | trans | -136.5 | 147.8 | 164.9 | 45.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 44 | D | 42.8 | Very low | 39.2 | Very low | 146 Ų | 146 | 143.5 Ų | 143.5 | 78% | 0.781 | 81% | 0.805 | S | S | * | * | S | Bend | trans | 67.1 | 66.4 | 166.1 | -47.1 | -39.6 | 0 | 0 | 0 | 118.1 | ||
| 45 | Y | 34.7 | Very low | 39.6 | Very low | 244 Ų | 244 | 142.8 Ų | 142.8 | 96% | 0.957 | 81% | 0.809 | S | S | * | * | trans | -154.3 | 52.6 | 139.7 | -115.4 | -72.8 | 0 | 0 | 0 | 112.8 | ||||
| 46 | N | 42.3 | Very low | 40 | Very low | 170 Ų | 170 | 139.6 Ų | 139.6 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | trans | -112.9 | 96.6 | 165.5 | -172.8 | 36.3 | 0 | 0 | 0 | 109.8 | ||||
| 47 | G | 43.5 | Very low | 39.8 | Very low | 65 Ų | 65 | 139.2 Ų | 139.2 | 67% | 0.67 | 80% | 0.8 | S | S | * | * | trans | -178.1 | 40.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 48 | L | 38.8 | Very low | 40.3 | Very low | 161 Ų | 161 | 138.1 Ų | 138.1 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -164.2 | 45 | 166.5 | -112.4 | 171.8 | 0 | 0 | 0 | 115.2 | ||
| 49 | Y | 32.7 | Very low | 40.7 | Very low | 233 Ų | 233 | 136.5 Ų | 136.5 | 91% | 0.914 | 80% | 0.801 | S | S | * | * | trans | -150.2 | 107.7 | 153.8 | -93.4 | -69.7 | 0 | 0 | 0 | 110.4 | ||||
| 50 | S | 39.2 | Very low | 40.9 | Very low | 124 Ų | 124 | 138.2 Ų | 138.2 | 87% | 0.867 | 81% | 0.809 | S | S | * | * | trans | -68.1 | 137 | -179.9 | -57 | 0 | 0 | 0 | 0 | 112 | A52 | S50-A52 PolarHBondContact O-N 3.12Š| ||
| 51 | H | 41.7 | Very low | 41.4 | Very low | 177 Ų | 177 | 136.7 Ų | 136.7 | 82% | 0.819 | 81% | 0.809 | S | S | * | * | trans | -64.4 | 120.3 | 169.4 | -79 | -108 | 0 | 0 | 0 | 110.9 | T53 | H51-T53 HydrophobicContact CB-CG2 4.31Å; H51-T53 PolarHBondContact O-N 2.91Å | ||
| 52 | A | 34.8 | Very low | 41.5 | Very low | 103 Ų | 103 | 136 Ų | 136 | 85% | 0.851 | 82% | 0.816 | S | S | * | * | trans | -89 | 88 | 160.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | S50 G54 | S50-A52 PolarHBondContact O-N 3.12Å; A52-G54 PolarHBondContact O-N 3.44Å | ||
| 53 | T | 41.8 | Very low | 41.9 | Very low | 127 Ų | 127 | 137.4 Ų | 137.4 | 78% | 0.779 | 81% | 0.813 | S | S | * | * | trans | -76.7 | 95.1 | 174.3 | 49.1 | 0 | 0 | 0 | 0 | 110.8 | H51 | H51-T53 HydrophobicContact CB-CG2 4.31Å; H51-T53 PolarHBondContact O-N 2.91Å | ||
| 54 | G | 42.8 | Very low | 42.1 | Very low | 61 Ų | 61 | 140.8 Ų | 140.8 | 63% | 0.629 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -77 | 142.9 | 159.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | A52 S56 | A52-G54 PolarHBondContact O-N 3.44Å; G54-S56 PolarHBondContact O-N 3.32Å |
| 55 | P | 45.3 | Very low | 42.2 | Very low | 136 Ų | 136 | 137.2 Ų | 137.2 | 88% | 0.883 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 118.4 | 178.1 | 28 | -33.2 | 0 | 0 | 0 | 110.5 | ||
| 56 | S | 47.4 | Very low | 43 | Very low | 107 Ų | 107 | 131.9 Ų | 131.9 | 75% | 0.748 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 147 | 169.2 | 43.1 | 0 | 0 | 0 | 0 | 110.9 | G54 | G54-S56 PolarHBondContact O-N 3.32Š|
| 57 | P | 40.9 | Very low | 43.2 | Very low | 117 Ų | 117 | 132.5 Ų | 132.5 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -68 | 146.5 | 176.1 | 28.6 | -34.4 | 0 | 0 | 0 | 111 | G59 | P57-G59 PolarHBondContact O-N 3.38Š|
| 58 | P | 40.8 | Very low | 43.2 | Very low | 137 Ų | 137 | 137 Ų | 137 | 89% | 0.89 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -70.7 | 130 | -178.4 | 28.8 | -34.1 | 0 | 0 | 0 | 111.1 | ||
| 59 | G | 48.5 | Very low | 43.2 | Very low | 68 Ų | 68 | 131.8 Ų | 131.8 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | S | Bend | trans | 149.4 | -7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | P57 | P57-G59 PolarHBondContact O-N 3.38Š|
| 60 | M | 41.4 | Very low | 44 | Very low | 183 Ų | 183 | 131.8 Ų | 131.8 | 90% | 0.901 | 80% | 0.799 | S | S | * | * | trans | -126.1 | 114.7 | -177.5 | -72.3 | -72.3 | 137.8 | 0 | 0 | 111.9 | ||||
| 61 | Q | 44.6 | Very low | 44.2 | Very low | 186 Ų | 186 | 132.3 Ų | 132.3 | 87% | 0.869 | 79% | 0.792 | S | S | * | * | trans | -73.3 | 136.6 | 169.4 | -71.5 | -178.3 | -25.7 | 0 | 0 | 110.1 | V63 | Q61-V63 PolarHBondContact O-N 2.79Å; Q61-V63 VanDerWaalsContact O-N 3.12Å | ||
| 62 | A | 42 | Very low | 44.3 | Very low | 101 Ų | 101 | 130 Ų | 130 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | trans | -74.3 | 100.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 63 | V | 48.4 | Very low | 44.7 | Very low | 135 Ų | 135 | 134.7 Ų | 134.7 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -75.7 | 126.8 | 168.5 | -75.6 | 0 | 0 | 0 | 0 | 110.2 | Q61 G65 | Q61-V63 PolarHBondContact O-N 2.79Å; Q61-V63 VanDerWaalsContact O-N 3.12Å; V63-G65 PolarHBondContact O-N 2.8Å; V63-G65 VanDerWaalsContact O-N 3.12Å | ||
| 64 | N | 48.9 | Very low | 44.6 | Very low | 175 Ų | 175 | 139.5 Ų | 139.5 | 94% | 0.936 | 79% | 0.789 | S | S | * | * | trans | -61.6 | 111.3 | 179.8 | -73.5 | -41 | 0 | 0 | 0 | 110.9 | ||||
| 65 | G | 45.7 | Very low | 44.6 | Very low | 71 Ų | 71 | 147.4 Ų | 147.4 | 73% | 0.732 | 80% | 0.801 | S | S | * | * | trans | -125.3 | 109.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V63 R67 | V63-G65 PolarHBondContact O-N 2.8Å; V63-G65 VanDerWaalsContact O-N 3.12Å; G65-R67 PolarHBondContact O-N 3.38Å | ||
| 66 | T | 52 | Low | 44.5 | Very low | 133 Ų | 133 | 143.7 Ų | 143.7 | 82% | 0.816 | 79% | 0.787 | S | S | * | * | trans | -68.4 | 119.9 | 177.2 | -52.6 | 0 | 0 | 0 | 0 | 110.7 | I68 | T66-I68 HydrophobicContact CG2-CD1 4.44Å; T66-I68 HydrophobicContact CG2-CG1 4.26Å; T66-I68 PolarHBondContact O-N 2.72Å | ||
| 67 | R | 46.3 | Very low | 44.4 | Very low | 182 Ų | 182 | 147.5 Ų | 147.5 | 69% | 0.687 | 79% | 0.793 | S | S | * | * | trans | -83.6 | 110.9 | -177.8 | -156.6 | -164.3 | -146 | -80.3 | 7.2 | 111 | G65 N72 | G65-R67 PolarHBondContact O-N 3.38Å; R67-N72 PolarHBondContact NH1-OD1 3.24Å; R67-N72 PolarHBondContact NH2-OD1 3.43Å | ||
| 68 | I | 43.2 | Very low | 44.5 | Very low | 160 Ų | 160 | 149.3 Ų | 149.3 | 82% | 0.821 | 80% | 0.796 | S | S | * | * | trans | -128.7 | 117.7 | 170.9 | -54.7 | 179.1 | 0 | 0 | 0 | 108.7 | T66 | T66-I68 HydrophobicContact CG2-CD1 4.44Å; T66-I68 HydrophobicContact CG2-CG1 4.26Å; T66-I68 PolarHBondContact O-N 2.72Å | ||
| 69 | G | 37.8 | Very low | 44.7 | Very low | 51 Ų | 51 | 151.4 Ų | 151.4 | 53% | 0.526 | 79% | 0.793 | S | S | . | * | trans | 139.7 | 129.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 70 | Y | 49.5 | Very low | 44.2 | Very low | 233 Ų | 233 | 155.3 Ų | 155.3 | 91% | 0.914 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -84.5 | 149.4 | 166.4 | -96 | -96.5 | 0 | 0 | 0 | 110.9 | ||
| 71 | N | 43.8 | Very low | 44.2 | Very low | 136 Ų | 136 | 155.7 Ų | 155.7 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | S | Bend | trans | 75.6 | 108.5 | -163.5 | -52.9 | -81.6 | 0 | 0 | 0 | 112.4 | Y73 | N71-Y73 VanDerWaalsContact C-N 3.35Å; N71-Y73 HydrophobicContact CB-CD2 4.34Å; N71-Y73 PolarHBondContact O-N 3.07Å |
| 72 | N | 44.1 | Very low | 43.8 | Very low | 128 Ų | 128 | 149.7 Ų | 149.7 | 68% | 0.684 | 79% | 0.785 | S | S | * | * | trans | -67.6 | 83.6 | -177.7 | -74.8 | -44.1 | 0 | 0 | 0 | 112.3 | R67 | R67-N72 PolarHBondContact NH1-OD1 3.24Å; R67-N72 PolarHBondContact NH2-OD1 3.43Å | ||
| 73 | Y | 42.5 | Very low | 44.2 | Very low | 202 Ų | 202 | 150.1 Ų | 150.1 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | trans | -117.4 | 117.3 | 162.4 | -73.6 | -79.4 | 0 | 0 | 0 | 109.1 | N71 Y75 | N71-Y73 VanDerWaalsContact C-N 3.35Å; N71-Y73 HydrophobicContact CB-CD2 4.34Å; N71-Y73 PolarHBondContact O-N 3.07Å; Y73-Y75 PolarHBondContact O-N 2.85Å | ||
| 74 | Y | 41.5 | Very low | 44 | Very low | 228 Ų | 228 | 151.2 Ų | 151.2 | 89% | 0.894 | 78% | 0.781 | S | S | * | * | trans | -73.7 | 111 | 171.8 | -107.6 | -99.3 | 0 | 0 | 0 | 109.1 | ||||
| 75 | Y | 42.8 | Very low | 43.7 | Very low | 226 Ų | 226 | 146.2 Ų | 146.2 | 89% | 0.886 | 77% | 0.77 | S | S | * | * | trans | -110 | 98.8 | 153.3 | -95.7 | -85.8 | 0 | 0 | 0 | 107.6 | Y73 | Y73-Y75 PolarHBondContact O-N 2.85Š| ||
| 76 | G | 42.9 | Very low | 43.5 | Very low | 58 Ų | 58 | 148.7 Ų | 148.7 | 60% | 0.598 | 77% | 0.773 | S | S | * | * | trans | -75.4 | 122 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | L78 | G76-L78 PolarHBondContact O-N 2.65Š| ||
| 77 | Q | 45.7 | Very low | 43 | Very low | 187 Ų | 187 | 147.2 Ų | 147.2 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | trans | -73.6 | 98.3 | 169.1 | -174.7 | 154.8 | -30 | 0 | 0 | 108.5 | H79 | Q77-H79 VanDerWaalsContact C-N 3.35Å; Q77-H79 PolarHBondContact O-N 2.87Å | ||
| 78 | L | 41.6 | Very low | 43 | Very low | 155 Ų | 155 | 144.2 Ų | 144.2 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | trans | -68.8 | 90.4 | 175.9 | -76.7 | 167.7 | 0 | 0 | 0 | 109.9 | G76 L80 | G76-L78 PolarHBondContact O-N 2.65Å; L78-L80 PolarHBondContact O-N 3.34Å; L78-L80 VanDerWaalsContact O-N 3.11Å | ||
| 79 | H | 45.8 | Very low | 43.2 | Very low | 181 Ų | 181 | 142.4 Ų | 142.4 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | trans | -74.1 | 97.1 | 160.9 | -131.4 | 162.3 | 0 | 0 | 0 | 107.4 | Q77 Q81 | Q77-H79 VanDerWaalsContact C-N 3.35Å; Q77-H79 PolarHBondContact O-N 2.87Å; H79-Q81 VanDerWaalsContact C-N 3.33Å; H79-Q81 PolarHBondContact O-N 3.05Å | ||
| 80 | L | 37.2 | Very low | 43.1 | Very low | 150 Ų | 150 | 145.8 Ų | 145.8 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | -76.8 | 84.9 | -177.5 | -149 | 81 | 0 | 0 | 0 | 109.6 | L78 G82 | L78-L80 PolarHBondContact O-N 3.34Å; L78-L80 VanDerWaalsContact O-N 3.11Å; L80-G82 PolarHBondContact O-N 3.03Å | ||
| 81 | Q | 42.3 | Very low | 42.7 | Very low | 192 Ų | 192 | 139 Ų | 139 | 90% | 0.897 | 79% | 0.788 | S | S | * | * | trans | -75.1 | 82.9 | 170 | -167.5 | 161.2 | 12.1 | 0 | 0 | 108.8 | H79 | H79-Q81 VanDerWaalsContact C-N 3.33Å; H79-Q81 PolarHBondContact O-N 3.05Å | ||
| 82 | G | 36.5 | Very low | 42.4 | Very low | 59 Ų | 59 | 140 Ų | 140 | 61% | 0.608 | 79% | 0.791 | S | S | * | * | trans | -68.4 | 127 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L80 | L80-G82 PolarHBondContact O-N 3.03Š| ||
| 83 | P | 50.1 | Low | 42.6 | Very low | 110 Ų | 110 | 139.2 Ų | 139.2 | 71% | 0.714 | 79% | 0.793 | S | S | * | * | trans | -80.4 | 137.1 | 165.6 | 32.2 | -30.7 | 0 | 0 | 0 | 110.2 | ||||
| 84 | N | 43.4 | Very low | 42.8 | Very low | 159 Ų | 159 | 135.5 Ų | 135.5 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | trans | 60.4 | 72.6 | 161.4 | -51.4 | -24.8 | 0 | 0 | 0 | 116.7 | ||||
| 85 | G | 42 | Very low | 42.7 | Very low | 69 Ų | 69 | 133.3 Ų | 133.3 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | trans | -69.5 | 146.5 | 151.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 86 | P | 42.9 | Very low | 42.4 | Very low | 123 Ų | 123 | 125.9 Ų | 125.9 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | trans | -72.4 | 131 | 179.2 | 29.7 | -33.7 | 0 | 0 | 0 | 110.9 | C88 | P86-C88 PolarHBondContact O-N 2.83Š| ||
| 87 | A | 41.9 | Very low | 42.8 | Very low | 102 Ų | 102 | 128 Ų | 128 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | trans | -74.4 | 87.4 | 171 | 0 | 0 | 0 | 0 | 0 | 110.2 | C89 | A87-C89 VanDerWaalsContact C-N 3.34Å; A87-C89 PolarHBondContact O-N 3.34Å | ||
| 88 | C | 45.6 | Very low | 42.7 | Very low | 119 Ų | 119 | 127.4 Ų | 127.4 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -76.2 | 83.3 | 169.9 | 50.7 | 0 | 0 | 0 | 0 | 110.8 | P86 | P86-C88 PolarHBondContact O-N 2.83Š| ||
| 89 | C | 48 | Very low | 42.7 | Very low | 122 Ų | 122 | 128.1 Ų | 128.1 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | trans | 177.8 | 90.4 | 153.2 | -101 | 0 | 0 | 0 | 0 | 110.7 | A87 | A87-C89 VanDerWaalsContact C-N 3.34Å; A87-C89 PolarHBondContact O-N 3.34Å | ||
| 90 | S | 34.5 | Very low | 42 | Very low | 122 Ų | 122 | 125.6 Ų | 125.6 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | trans | -157.9 | 143.5 | 165 | -75.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 91 | A | 40.7 | Very low | 42.7 | Very low | 90 Ų | 90 | 124.3 Ų | 124.3 | 74% | 0.744 | 79% | 0.791 | S | S | * | * | trans | -58.9 | 165.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 92 | I | 38.5 | Very low | 42.4 | Very low | 157 Ų | 157 | 120.8 Ų | 120.8 | 81% | 0.805 | 79% | 0.786 | S | S | * | * | cis | -149.3 | -154.6 | 40.9 | -31.6 | -179.4 | 0 | 0 | 0 | 111.5 | ||||
| 93 | P | 48.6 | Very low | 42.6 | Very low | 112 Ų | 112 | 125 Ų | 125 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | -99.2 | 177.5 | -108.2 | 34.1 | -16.3 | 0 | 0 | 0 | 117.1 | |||||
| 94 | T | 46.4 | Very low | 42.4 | Very low | 125 Ų | 125 | 125.9 Ų | 125.9 | 77% | 0.767 | 80% | 0.799 | S | S | * | * | trans | -40.7 | 128.2 | 165.8 | 54.2 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 95 | L | 39.1 | Very low | 42.7 | Very low | 182 Ų | 182 | 124.6 Ų | 124.6 | 95% | 0.953 | 80% | 0.797 | S | S | * | * | trans | -179.6 | 145.2 | 130.4 | -103.2 | 150.3 | 0 | 0 | 0 | 110.6 | ||||
| 96 | G | 36 | Very low | 42.7 | Very low | 69 Ų | 69 | 124.8 Ų | 124.8 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | trans | 105.4 | 73.5 | 171 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q98 | G96-Q98 PolarHBondContact O-N 2.87Š| ||
| 97 | S | 53 | Low | 42.4 | Very low | 102 Ų | 102 | 127.3 Ų | 127.3 | 71% | 0.713 | 79% | 0.794 | S | S | * | * | trans | -63.8 | 117.2 | 160.9 | 50.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 98 | Q | 42.3 | Very low | 42.7 | Very low | 175 Ų | 175 | 130.5 Ų | 130.5 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -142.6 | 116.1 | 156.6 | -61.3 | -62 | 5.7 | 0 | 0 | 108.7 | G96 | G96-Q98 PolarHBondContact O-N 2.87Š| ||
| 99 | Q | 42 | Very low | 42.4 | Very low | 171 Ų | 171 | 128.8 Ų | 128.8 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | trans | -70.1 | 135.6 | 175.3 | -76.4 | 90.7 | -7.1 | 0 | 0 | 111.6 | ||||
| 100 | C | 31.1 | Very low | 42.5 | Very low | 128 Ų | 128 | 129.4 Ų | 129.4 | 87% | 0.865 | 79% | 0.786 | S | S | * | * | trans | -108.6 | 115.4 | 155.7 | -76.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 101 | P | 51.8 | Low | 43.3 | Very low | 123 Ų | 123 | 127.5 Ų | 127.5 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | trans | -98.2 | 107.3 | -171.6 | 34.7 | -31.4 | 0 | 0 | 0 | 113 | ||||
| 102 | C | 36.2 | Very low | 43.6 | Very low | 118 Ų | 118 | 127.6 Ų | 127.6 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | trans | -166.7 | 80.3 | 154.2 | 55.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 103 | I | 41.1 | Very low | 44.1 | Very low | 146 Ų | 146 | 126.1 Ų | 126.1 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | trans | -129 | 117.2 | 155.1 | -59.9 | 175.2 | 0 | 0 | 0 | 107.2 | T105 | I103-T105 HydrophobicContact CG2-CG2 3.86Š| ||
| 104 | P | 45.9 | Very low | 44.3 | Very low | 129 Ų | 129 | 129 Ų | 129 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | trans | -83 | 113 | 147.7 | 24.3 | -12 | 0 | 0 | 0 | 107.8 | ||||
| 105 | T | 48.8 | Very low | 44.7 | Very low | 132 Ų | 132 | 130.1 Ų | 130.1 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | -73.2 | 134.7 | 174 | 41.7 | 0 | 0 | 0 | 0 | 110.6 | I103 | I103-T105 HydrophobicContact CG2-CG2 3.86Š| ||
| 106 | G | 42 | Very low | 45.1 | Very low | 74 Ų | 74 | 125.8 Ų | 125.8 | 76% | 0.763 | 77% | 0.772 | S | S | * | * | trans | 111.3 | 99.4 | 159.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 107 | Y | 37.8 | Very low | 46.1 | Very low | 176 Ų | 176 | 128.3 Ų | 128.3 | 69% | 0.69 | 78% | 0.776 | S | S | * | * | -154 | 127.2 | 117.9 | 70.2 | -82.3 | 0 | 0 | 0 | 110.1 | S109 | Y107-S109 WeakPolarHBondContact CE2-O 3.36Å; Y107-S109 PolarHBondContact O-N 3.12Å | |||
| 108 | D | 46.8 | Very low | 46.3 | Very low | 169 Ų | 169 | 127 Ų | 127 | 90% | 0.904 | 76% | 0.763 | S | S | * | * | trans | -76.4 | 104.6 | 161.2 | -87.6 | -78.5 | 0 | 0 | 0 | 108.4 | ||||
| 109 | S | 39.5 | Very low | 47 | Very low | 83 Ų | 83 | 122.9 Ų | 122.9 | 58% | 0.58 | 75% | 0.752 | S | S | * | * | trans | -172.5 | 122.6 | 151.9 | -86.2 | 0 | 0 | 0 | 0 | 113.1 | Y107 | Y107-S109 WeakPolarHBondContact CE2-O 3.36Å; Y107-S109 PolarHBondContact O-N 3.12Å | ||
| 110 | T | 50.1 | Low | 47.7 | Very low | 134 Ų | 134 | 123.1 Ų | 123.1 | 82% | 0.822 | 75% | 0.753 | S | S | * | * | S | Bend | trans | 23.9 | 96.3 | 149.2 | 53.7 | 0 | 0 | 0 | 0 | 118.4 | ||
| 111 | G | 52.6 | Low | 48.8 | Very low | 83 Ų | 83 | 125.4 Ų | 125.4 | 86% | 0.856 | 75% | 0.751 | S | S | * | * | trans | 55 | 72.5 | 135.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 112 | S | 44.9 | Very low | 48.9 | Very low | 91 Ų | 91 | 122.8 Ų | 122.8 | 64% | 0.636 | 73% | 0.729 | S | S | * | * | trans | -111.5 | 107.9 | 160 | -77.8 | 0 | 0 | 0 | 0 | 110.4 | L114 | S112-L114 PolarHBondContact O-N 3.21Š| ||
| 113 | V | 49.9 | Very low | 49.9 | Very low | 126 Ų | 126 | 122.7 Ų | 122.7 | 76% | 0.764 | 72% | 0.718 | S | S | * | * | trans | -76.6 | 121.4 | 172.1 | 179.7 | 0 | 0 | 0 | 0 | 108.6 | I115 | V113-I115 HydrophobicContact CG1-CG1 4.38Å; V113-I115 PolarHBondContact O-N 2.98Å | ||
| 114 | L | 53.3 | Low | 50.6 | Low | 172 Ų | 172 | 120.5 Ų | 120.5 | 90% | 0.901 | 72% | 0.715 | S | S | * | * | trans | -69.9 | 90.7 | 173.8 | -66.6 | 179.2 | 0 | 0 | 0 | 110.2 | S112 S116 | S112-L114 PolarHBondContact O-N 3.21Å; L114-S116 PolarHBondContact O-N 2.86Å; L114-S116 VanDerWaalsContact O-N 3.17Å | ||
| 115 | I | 54 | Low | 51 | Low | 149 Ų | 149 | 120.1 Ų | 120.1 | 76% | 0.764 | 70% | 0.698 | S | S | * | * | trans | -75.1 | 102.4 | 172.9 | -64.6 | 167.6 | 0 | 0 | 0 | 108.2 | V113 | V113-I115 HydrophobicContact CG1-CG1 4.38Å; V113-I115 PolarHBondContact O-N 2.98Å | ||
| 116 | S | 47.4 | Very low | 51.3 | Low | 92 Ų | 92 | 120.2 Ų | 120.2 | 64% | 0.643 | 69% | 0.691 | S | S | * | * | trans | -57.9 | 140.8 | 167.4 | -174.6 | 0 | 0 | 0 | 0 | 110.2 | L114 V118 | L114-S116 PolarHBondContact O-N 2.86Å; L114-S116 VanDerWaalsContact O-N 3.17Å; S116-V118 PolarHBondContact O-N 3.49Å | ||
| 117 | P | 58.2 | Low | 52.1 | Low | 121 Ų | 121 | 121.5 Ų | 121.5 | 79% | 0.786 | 68% | 0.68 | S | S | * | * | trans | -69.1 | 96.5 | -174.1 | 27.6 | -35 | 0 | 0 | 0 | 111.7 | ||||
| 118 | V | 57.3 | Low | 53.1 | Low | 74 Ų | 74 | 117.6 Ų | 117.6 | 45% | 0.448 | 68% | 0.675 | S | S | . | * | trans | -64 | 131.3 | 173.1 | 178.3 | 0 | 0 | 0 | 0 | 109.3 | S116 H120 M122 | S116-V118 PolarHBondContact O-N 3.49Å; V118-H120 PolarHBondContact O-N 2.87Å; V118-M122 HydrophobicContact CG1-CB 3.9Å; V118-M122 HydrophobicContact CG1-CG 4.35Å; V118-M122 HydrophobicContact CG1-SD 4.2Å | ||
| 119 | P | 56.2 | Low | 53.8 | Low | 89 Ų | 89 | 113.4 Ų | 113.4 | 58% | 0.578 | 67% | 0.671 | S | S | * | * | trans | -59.4 | 133.6 | -179 | 22.2 | -33.1 | 0 | 0 | 0 | 111.6 | Q121 M122 | P119-Q121 PolarHBondContact O-N 3.32Å; P119-M122 PolarHBondContact O-N 3.02Å | ||
| 120 | H | 55.8 | Low | 55 | Low | 177 Ų | 177 | 114.4 Ų | 114.4 | 82% | 0.819 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -51 | -24.7 | -168.1 | -119.6 | 50.1 | 0 | 0 | 0 | 115.4 | V118 M122 M123 | V118-H120 PolarHBondContact O-N 2.87Å; H120-M122 VanDerWaalsContact C-N 3.33Å; H120-M122 PolarHBondContact O-N 3.45Å; H120-M123 PolarHBondContact O-N 3.07Å |
| 121 | Q | 55.3 | Low | 55.8 | Low | 176 Ų | 176 | 109.6 Ų | 109.6 | 82% | 0.822 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -70.2 | -24 | -179.5 | -62.5 | -176.3 | -5.2 | 0 | 0 | 113.6 | P119 S124 | P119-Q121 PolarHBondContact O-N 3.32Å; Q121-S124 PolarHBondContact O-OG 3.42Å |
| 122 | M | 54.2 | Low | 57 | Low | 68 Ų | 68 | 108.5 Ų | 108.5 | 34% | 0.335 | 62% | 0.622 | S | S | . | * | G | 310 helix | trans | -78 | -16.7 | 178.5 | -64.5 | -163 | 63.9 | 0 | 0 | 114.6 | V118 P119 H120 S124 Y125 | V118-M122 HydrophobicContact CG1-CB 3.9Å; V118-M122 HydrophobicContact CG1-CG 4.35Å; V118-M122 HydrophobicContact CG1-SD 4.2Å; P119-M122 PolarHBondContact O-N 3.02Å; H120-M122 VanDerWaalsContact C-N 3.33Å; H120-M122 PolarHBondContact O-N 3.45Å; M122-S124 PolarHBondContact O-N 2.83Å; M122-S124 VanDerWaalsContact O-N 3.14Å; M122-Y125 HydrophobicContact CB-CE1 4.26Å; M122-Y125 HydrophobicContact CB-CE2 4.39Å; M122-Y125 HydrophobicContact CE-CE2 3.75Å; M122-Y125 WeakPolarHBondContact CE-OH 3.48Å; M122-Y125 HydrophobicContact CG-CE1 4.4Å; M122-Y125 VanDerWaalsContact CG-OH 3.28Å; M122-Y125 WeakPolarHBondContact CG-OH 3.43Å; M122-Y125 PolarHBondContact O-N 3.34Å |
| 123 | M | 56.1 | Low | 58.3 | Low | 116 Ų | 116 | 114.8 Ų | 114.8 | 57% | 0.571 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -65.8 | -18.4 | -173.8 | -68.3 | -86.3 | 90.2 | 0 | 0 | 113.9 | H120 | H120-M123 PolarHBondContact O-N 3.07Š|
| 124 | S | 56.6 | Low | 59.7 | Low | 99 Ų | 99 | 113.3 Ų | 113.3 | 69% | 0.692 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -77.1 | -20 | -175.9 | 61.5 | 0 | 0 | 0 | 0 | 115.1 | Q121 M122 | Q121-S124 PolarHBondContact O-OG 3.42Å; M122-S124 PolarHBondContact O-N 2.83Å; M122-S124 VanDerWaalsContact O-N 3.14Å |
| 125 | Y | 54.7 | Low | 60.8 | Low | 122 Ų | 122 | 109.4 Ų | 109.4 | 48% | 0.478 | 60% | 0.601 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -118.4 | -10 | -172.2 | 53.5 | -102.3 | 0 | 0 | 0 | 115.6 | M122 | M122-Y125 HydrophobicContact CB-CE1 4.26Å; M122-Y125 HydrophobicContact CB-CE2 4.39Å; M122-Y125 HydrophobicContact CE-CE2 3.75Å; M122-Y125 WeakPolarHBondContact CE-OH 3.48Å; M122-Y125 HydrophobicContact CG-CE1 4.4Å; M122-Y125 VanDerWaalsContact CG-OH 3.28Å; M122-Y125 WeakPolarHBondContact CG-OH 3.43Å; M122-Y125 PolarHBondContact O-N 3.34Å |
| 126 | M | 55.5 | Low | 61.9 | Low | 134 Ų | 134 | 106.6 Ų | 106.6 | 66% | 0.66 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -91.3 | -1.6 | 179 | -72.3 | -64.3 | 173.9 | 0 | 0 | 114.7 | ||
| 127 | N | 57.7 | Low | 63.2 | Low | 100 Ų | 100 | 107.7 Ų | 107.7 | 54% | 0.535 | 58% | 0.582 | S | S | . | * | S | Bend | trans | -118.9 | 35.8 | -175.3 | -158.2 | 30.5 | 0 | 0 | 0 | 113.7 | T130 L131 | N127-T130 PolarHBondContact OD1-OG1 2.99Å; N127-L131 WeakPolarHBondContact O-CD1 3.17Å; N127-L131 WeakPolarHBondContact O-CD2 3.45Å; N127-L131 WeakPolarHBondContact O-CG 3.49Å |
| 128 | V | 59.4 | Low | 64.2 | Low | 95 Ų | 95 | 105.9 Ų | 105.9 | 58% | 0.576 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -106.7 | -18.6 | 171.9 | -63.5 | 0 | 0 | 0 | 0 | 114.2 | L131 | V128-L131 HydrophobicContact CB-CD1 4.38Å; V128-L131 HydrophobicContact CG1-CD1 4.33Å |
| 129 | G | 61.6 | Low | 65.1 | Low | 80 Ų | 80 | 105.3 Ų | 105.3 | 83% | 0.825 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -84.1 | -15.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 130 | T | 64.4 | Low | 65.8 | Low | 105 Ų | 105 | 105.5 Ų | 105.5 | 64% | 0.644 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -99.2 | -7.7 | -180 | 42.4 | 0 | 0 | 0 | 0 | 113.1 | N127 S132 | N127-T130 PolarHBondContact OD1-OG1 2.99Å; T130-S132 PolarHBondContact O-N 3.41Å |
| 131 | L | 66.4 | Low | 66.4 | Low | 32 Ų | 32 | 102.3 Ų | 102.3 | 17% | 0.168 | 54% | 0.54 | C | S | . | . | trans | -72.4 | 123.6 | -174.4 | -62.4 | 178.7 | 0 | 0 | 0 | 110.9 | N127 V128 E135 L136 L139 | N127-L131 WeakPolarHBondContact O-CD1 3.17Å; N127-L131 WeakPolarHBondContact O-CD2 3.45Å; N127-L131 WeakPolarHBondContact O-CG 3.49Å; V128-L131 HydrophobicContact CB-CD1 4.38Å; V128-L131 HydrophobicContact CG1-CD1 4.33Å; L131-E135 HydrophobicContact CB-CB 3.93Å; L131-E135 HydrophobicContact CD2-CB 4.03Å; L131-E135 HydrophobicContact CD2-CG 4.46Å; L131-E135 HydrophobicContact CG-CB 4.46Å; L131-L136 HydrophobicContact CB-CD1 4.32Å; L131-L136 HydrophobicContact CB-CG 3.91Å; L131-L136 HydrophobicContact CD1-CD2 4.21Å; L131-L136 HydrophobicContact CD1-CG 4.34Å; L131-L139 HydrophobicContact CD1-CD1 3.49Å; L131-L139 VanDerWaalsContact CD1-CD1 3.49Å | ||
| 132 | S | 78.1 | Confident | 67.1 | Low | 60 Ų | 60 | 98.1 Ų | 98.1 | 42% | 0.42 | 52% | 0.523 | S | S | . | . | trans | -50.9 | 152.4 | 166.6 | 170.2 | 0 | 0 | 0 | 0 | 111 | T130 T134 E135 L136 | T130-S132 PolarHBondContact O-N 3.41Å; S132-T134 WeakPolarHBondContact CB-OG1 3.41Å; S132-T134 PolarHBondContact O-N 3.17Å; S132-T134 PolarHBondContact OG-N 3.45Å; S132-T134 VanDerWaalsContact OG-N 3.17Å; S132-T134 PolarHBondContact OG-OG1 2.99Å; S132-E135 WeakPolarHBondContact O-CB 3.39Å; S132-E135 PolarHBondContact O-N 3.37Å; S132-L136 PolarHBondContact O-N 3.49Å | ||
| 133 | R | 72.3 | Confident | 67.6 | Low | 224 Ų | 224 | 99.4 Ų | 99.4 | 85% | 0.845 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -50.7 | -31 | 169.4 | -172.7 | 179.4 | 178.8 | -161.7 | 0.3 | 112.2 | Q137 | R133-Q137 VanDerWaalsContact O-CB 3.28Å; R133-Q137 WeakPolarHBondContact O-CB 3.43Å; R133-Q137 PolarHBondContact O-N 3.4Å |
| 134 | T | 78.3 | Confident | 67.6 | Low | 95 Ų | 95 | 98.1 Ų | 98.1 | 58% | 0.583 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -71.3 | -42 | 174.7 | 54.8 | 0 | 0 | 0 | 0 | 112.9 | S132 Q137 L138 | S132-T134 WeakPolarHBondContact CB-OG1 3.41Å; S132-T134 PolarHBondContact O-N 3.17Å; S132-T134 PolarHBondContact OG-N 3.45Å; S132-T134 VanDerWaalsContact OG-N 3.17Å; S132-T134 PolarHBondContact OG-OG1 2.99Å; T134-Q137 WeakPolarHBondContact O-CB 3.5Å; T134-Q137 PolarHBondContact O-N 3.49Å; T134-L138 WeakPolarHBondContact O-CB 3.28Å; T134-L138 PolarHBondContact O-N 2.81Å |
| 135 | E | 77.8 | Confident | 67.5 | Low | 90 Ų | 90 | 102.8 Ų | 102.8 | 42% | 0.421 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.4 | -43.9 | 176.6 | -71.3 | -59.3 | 117.1 | 0 | 0 | 111.4 | L131 S132 Q137 L138 L139 | L131-E135 HydrophobicContact CB-CB 3.93Å; L131-E135 HydrophobicContact CD2-CB 4.03Å; L131-E135 HydrophobicContact CD2-CG 4.46Å; L131-E135 HydrophobicContact CG-CB 4.46Å; S132-E135 WeakPolarHBondContact O-CB 3.39Å; S132-E135 PolarHBondContact O-N 3.37Å; E135-Q137 VanDerWaalsContact C-N 3.32Å; E135-Q137 PolarHBondContact O-N 2.8Å; E135-L138 PolarHBondContact O-N 2.64Å; E135-L139 WeakPolarHBondContact O-CB 3.35Å; E135-L139 PolarHBondContact O-N 2.91Å |
| 136 | L | 75.9 | Confident | 67.7 | Low | 89 Ų | 89 | 104.8 Ų | 104.8 | 47% | 0.466 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62 | -38.8 | 172.8 | -79.6 | 160.5 | 0 | 0 | 0 | 112 | L131 S132 N140 | L131-L136 HydrophobicContact CB-CD1 4.32Å; L131-L136 HydrophobicContact CB-CG 3.91Å; L131-L136 HydrophobicContact CD1-CD2 4.21Å; L131-L136 HydrophobicContact CD1-CG 4.34Å; S132-L136 PolarHBondContact O-N 3.49Å; L136-N140 VanDerWaalsContact O-CB 3.27Å; L136-N140 WeakPolarHBondContact O-CB 3.41Å; L136-N140 PolarHBondContact O-N 3.42Å |
| 137 | Q | 76.2 | Confident | 67.9 | Low | 116 Ų | 116 | 107.7 Ų | 107.7 | 54% | 0.542 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.3 | -39.9 | 175.1 | -172.8 | 63.8 | 69.2 | 0 | 0 | 111.8 | R133 T134 E135 N140 Q141 | R133-Q137 VanDerWaalsContact O-CB 3.28Å; R133-Q137 WeakPolarHBondContact O-CB 3.43Å; R133-Q137 PolarHBondContact O-N 3.4Å; T134-Q137 WeakPolarHBondContact O-CB 3.5Å; T134-Q137 PolarHBondContact O-N 3.49Å; E135-Q137 VanDerWaalsContact C-N 3.32Å; E135-Q137 PolarHBondContact O-N 2.8Å; Q137-N140 PolarHBondContact O-N 3.17Å; Q137-Q141 WeakPolarHBondContact O-CB 3.45Å; Q137-Q141 PolarHBondContact O-N 3.03Å |
| 138 | L | 78.5 | Confident | 68.7 | Low | 83 Ų | 83 | 113.1 Ų | 113.1 | 44% | 0.435 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -68.8 | -47.1 | 177.2 | -167.8 | 73.3 | 0 | 0 | 0 | 111 | T134 E135 N140 Q141 L142 | T134-L138 WeakPolarHBondContact O-CB 3.28Å; T134-L138 PolarHBondContact O-N 2.81Å; E135-L138 PolarHBondContact O-N 2.64Å; L138-N140 VanDerWaalsContact C-N 3.34Å; L138-N140 PolarHBondContact O-N 2.95Å; L138-Q141 CarbonylContact O-C 3.56Å; L138-Q141 WeakPolarHBondContact O-CA 3.34Å; L138-Q141 WeakPolarHBondContact O-CB 3.38Å; L138-Q141 PolarHBondContact O-N 2.78Å; L138-Q141 VanDerWaalsContact O-N 3.08Å; L138-L142 HydrophobicContact CG-CD1 4.3Å; L138-L142 VanDerWaalsContact O-CG 3.31Å; L138-L142 WeakPolarHBondContact O-CG 3.35Å; L138-L142 PolarHBondContact O-N 3.13Å |
| 139 | L | 76.4 | Confident | 69.5 | Low | 62 Ų | 62 | 118.8 Ų | 118.8 | 33% | 0.325 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -58.1 | -44.6 | 172 | -86.3 | 157.1 | 0 | 0 | 0 | 111 | L131 E135 Q141 L142 H143 | L131-L139 HydrophobicContact CD1-CD1 3.49Å; L131-L139 VanDerWaalsContact CD1-CD1 3.49Å; E135-L139 WeakPolarHBondContact O-CB 3.35Å; E135-L139 PolarHBondContact O-N 2.91Å; L139-Q141 VanDerWaalsContact C-N 3.28Å; L139-Q141 PolarHBondContact O-N 3.41Å; L139-L142 CarbonylContact O-C 3.49Å; L139-L142 PolarHBondContact O-N 3.25Å; L139-H143 WeakPolarHBondContact O-CB 3.39Å; L139-H143 PolarHBondContact O-N 2.9Å; L139-H143 PolarHBondContact O-ND1 3.44Å |
| 140 | N | 71.3 | Confident | 70.4 | Confident | 92 Ų | 92 | 123.6 Ų | 123.6 | 49% | 0.492 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -60.3 | -40 | 175.1 | -170.2 | -77.4 | 0 | 0 | 0 | 111.5 | L136 Q137 L138 H143 C144 | L136-N140 VanDerWaalsContact O-CB 3.27Å; L136-N140 WeakPolarHBondContact O-CB 3.41Å; L136-N140 PolarHBondContact O-N 3.42Å; Q137-N140 PolarHBondContact O-N 3.17Å; L138-N140 VanDerWaalsContact C-N 3.34Å; L138-N140 PolarHBondContact O-N 2.95Å; N140-H143 PolarHBondContact O-N 3.41Å; N140-C144 WeakPolarHBondContact O-CB 3.3Å; N140-C144 PolarHBondContact O-N 3.1Å; N140-C144 PolarHBondContact O-SG 2.97Å; N140-C144 PolarHBondContact OD1-SG 2.99Å |
| 141 | Q | 68.6 | Low | 71.6 | Confident | 110 Ų | 110 | 128.8 Ų | 128.8 | 51% | 0.514 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -66 | -37.5 | 176.2 | -157.3 | 177.2 | 104.3 | 0 | 0 | 112.5 | Q137 L138 L139 R145 | Q137-Q141 WeakPolarHBondContact O-CB 3.45Å; Q137-Q141 PolarHBondContact O-N 3.03Å; L138-Q141 CarbonylContact O-C 3.56Å; L138-Q141 WeakPolarHBondContact O-CA 3.34Å; L138-Q141 WeakPolarHBondContact O-CB 3.38Å; L138-Q141 PolarHBondContact O-N 2.78Å; L138-Q141 VanDerWaalsContact O-N 3.08Å; L139-Q141 VanDerWaalsContact C-N 3.28Å; L139-Q141 PolarHBondContact O-N 3.41Å; Q141-R145 WeakPolarHBondContact O-CG 3.37Å; Q141-R145 PolarHBondContact O-N 3.41Å |
| 142 | L | 69.8 | Low | 72.7 | Confident | 88 Ų | 88 | 129.3 Ų | 129.3 | 46% | 0.461 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -73.5 | -34.3 | 174.4 | -66.5 | 171.6 | 0 | 0 | 0 | 112.6 | L138 L139 R145 R146 | L138-L142 HydrophobicContact CG-CD1 4.3Å; L138-L142 VanDerWaalsContact O-CG 3.31Å; L138-L142 WeakPolarHBondContact O-CG 3.35Å; L138-L142 PolarHBondContact O-N 3.13Å; L139-L142 CarbonylContact O-C 3.49Å; L139-L142 PolarHBondContact O-N 3.25Å; L142-R145 CarbonylContact O-C 3.58Å; L142-R145 WeakPolarHBondContact O-CA 3.48Å; L142-R145 WeakPolarHBondContact O-CB 3.43Å; L142-R145 PolarHBondContact O-N 3.32Å; L142-R146 PolarHBondContact O-N 3.1Å; L142-R146 VanDerWaalsContact O-N 3.17Å |
| 143 | H | 63.7 | Low | 73.4 | Confident | 96 Ų | 96 | 133.7 Ų | 133.7 | 44% | 0.444 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -69.6 | -38.2 | 170.7 | -74.5 | 84.9 | 0 | 0 | 0 | 111.3 | L139 N140 R145 R146 | L139-H143 WeakPolarHBondContact O-CB 3.39Å; L139-H143 PolarHBondContact O-N 2.9Å; L139-H143 PolarHBondContact O-ND1 3.44Å; N140-H143 PolarHBondContact O-N 3.41Å; H143-R145 PolarHBondContact O-N 2.69Å; H143-R146 PolarHBondContact CD2-NH1 2.69Å; H143-R146 PolarHBondContact CE1-NH1 2.67Å; H143-R146 VanDerWaalsContact CE1-NH1 3.32Å; H143-R146 PolarHBondContact ND1-NH1 3.23Å; H143-R146 PolarHBondContact NE2-NH1 2.84Å; H143-R146 WeakPolarHBondContact O-CB 3.5Å; H143-R146 PolarHBondContact O-N 3.32Å |
| 144 | C | 55.6 | Low | 74.6 | Confident | 88 Ų | 88 | 125.1 Ų | 125.1 | 60% | 0.595 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -63.1 | -24.8 | 168.7 | -72.7 | 0 | 0 | 0 | 0 | 112.7 | N140 | N140-C144 WeakPolarHBondContact O-CB 3.3Å; N140-C144 PolarHBondContact O-N 3.1Å; N140-C144 PolarHBondContact O-SG 2.97Å; N140-C144 PolarHBondContact OD1-SG 2.99Å |
| 145 | R | 56.2 | Low | 75.5 | Confident | 198 Ų | 198 | 124.1 Ų | 124.1 | 75% | 0.747 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -9.8 | 169.9 | -77.2 | -176.4 | 173.1 | -126.3 | 1.2 | 114.3 | Q141 L142 H143 K147 | Q141-R145 WeakPolarHBondContact O-CG 3.37Å; Q141-R145 PolarHBondContact O-N 3.41Å; L142-R145 CarbonylContact O-C 3.58Å; L142-R145 WeakPolarHBondContact O-CA 3.48Å; L142-R145 WeakPolarHBondContact O-CB 3.43Å; L142-R145 PolarHBondContact O-N 3.32Å; H143-R145 PolarHBondContact O-N 2.69Å; R145-K147 VanDerWaalsContact C-N 3.28Å; R145-K147 PolarHBondContact O-N 3.34Å |
| 146 | R | 57.9 | Low | 76.5 | Confident | 164 Ų | 164 | 126.2 Ų | 126.2 | 62% | 0.619 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -70.4 | 85.8 | 170.9 | -73.5 | -175.6 | 170.1 | 88.6 | -17.8 | 110.1 | L142 H143 | L142-R146 PolarHBondContact O-N 3.1Å; L142-R146 VanDerWaalsContact O-N 3.17Å; H143-R146 PolarHBondContact CD2-NH1 2.69Å; H143-R146 PolarHBondContact CE1-NH1 2.67Å; H143-R146 VanDerWaalsContact CE1-NH1 3.32Å; H143-R146 PolarHBondContact ND1-NH1 3.23Å; H143-R146 PolarHBondContact NE2-NH1 2.84Å; H143-R146 WeakPolarHBondContact O-CB 3.5Å; H143-R146 PolarHBondContact O-N 3.32Å |
| 147 | K | 60.3 | Low | 77.5 | Confident | 195 Ų | 195 | 129.4 Ų | 129.4 | 85% | 0.848 | 59% | 0.591 | S | S | * | * | trans | 42.1 | 74.2 | 169.6 | -107.7 | 177.7 | 178.1 | 175.1 | 0 | 113.8 | R145 R149 | R145-K147 VanDerWaalsContact C-N 3.28Å; R145-K147 PolarHBondContact O-N 3.34Å; K147-R149 PolarHBondContact O-N 3.2Å | ||
| 148 | R | 74.1 | Confident | 78.5 | Confident | 214 Ų | 214 | 125.3 Ų | 125.3 | 81% | 0.808 | 57% | 0.572 | S | S | * | * | trans | -51.1 | 109.9 | 160.5 | -177.6 | 178.1 | -174.8 | 167.8 | 3.1 | 108 | H150 | R148-H150 PolarHBondContact O-N 3.13Š| ||
| 149 | R | 75.9 | Confident | 79.5 | Confident | 214 Ų | 214 | 124.3 Ų | 124.3 | 81% | 0.808 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 136.4 | -178.5 | -66.1 | -174.2 | -177.1 | -171 | 1.7 | 109.4 | K147 R151 | K147-R149 PolarHBondContact O-N 3.2Å; R149-R151 PolarHBondContact O-N 2.93Å |
| 150 | H | 81.7 | Confident | 80.5 | Confident | 180 Ų | 180 | 127.1 Ų | 127.1 | 83% | 0.833 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -55 | 125 | 178.4 | -67.7 | -85 | 0 | 0 | 0 | 110 | R148 | R148-H150 PolarHBondContact O-N 3.13Š|
| 151 | R | 87.8 | Confident | 81.8 | Confident | 214 Ų | 214 | 124.1 Ų | 124.1 | 81% | 0.808 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 128.7 | 179.9 | -175.6 | 177.2 | -177.8 | 177.7 | 1 | 108.5 | R149 | R149-R151 PolarHBondContact O-N 2.93Š|
| 152 | T | 90.5 | Very high | 83.2 | Confident | 44 Ų | 44 | 118.9 Ų | 118.9 | 27% | 0.27 | 54% | 0.542 | S | S | . | . | P | Polyproline II helix | trans | -73.7 | 128.1 | 167.1 | -58.6 | 0 | 0 | 0 | 0 | 108.4 | F154 K190 | T152-F154 HydrophobicContact CG2-CD1 3.98Å; T152-F154 HydrophobicContact CG2-CE1 3.68Å; T152-F154 HydrophobicContact CG2-CZ 4.12Å; T152-K190 WeakPolarHBondContact OG1-CD 3.34Å; T152-K190 VanDerWaalsContact OG1-CE 3.26Å; T152-K190 WeakPolarHBondContact OG1-CE 3.44Å; T152-K190 PolarHBondContact OG1-NZ 3.36Å |
| 153 | I | 93.6 | Very high | 84.6 | Confident | 151 Ų | 151 | 116.9 Ų | 116.9 | 77% | 0.774 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -96.3 | 133.7 | 163.9 | -56.2 | 175.7 | 0 | 0 | 0 | 105.1 | ||
| 154 | F | 96.3 | Very high | 86.2 | Confident | 44 Ų | 44 | 116.4 Ų | 116.4 | 19% | 0.193 | 53% | 0.531 | C | S | . | . | P | Polyproline II helix | trans | -97.3 | 146.7 | 176.9 | -57.6 | -71.6 | 0 | 0 | 0 | 108.6 | T152 Q158 L159 L186 K190 W194 | T152-F154 HydrophobicContact CG2-CD1 3.98Å; T152-F154 HydrophobicContact CG2-CE1 3.68Å; T152-F154 HydrophobicContact CG2-CZ 4.12Å; F154-Q158 HydrophobicContact CB-CB 4.27Å; F154-L159 HydrophobicContact CB-CD2 3.81Å; F154-L159 HydrophobicContact CB-CG 3.86Å; F154-L159 HydrophobicContact CD2-CD2 4.15Å; F154-L159 HydrophobicContact CG-CD2 4.27Å; F154-L186 HydrophobicContact CD1-CD1 3.68Å; F154-L186 HydrophobicContact CD1-CD2 4.2Å; F154-L186 HydrophobicContact CE1-CD1 3.67Å; F154-L186 HydrophobicContact CE1-CD2 4.2Å; F154-K190 HydrophobicContact CE1-CB 4.23Å; F154-K190 HydrophobicContact CZ-CB 4.46Å; F154-W194 AromaticContact CD2-CD1 3.91Å; F154-W194 AromaticContact CE2-CD1 3.65Å; F154-W194 HydrophobicContact CE2-CG 4.49Å; F154-W194 HydrophobicContact CZ-CB 4.39Å |
| 155 | T | 97.9 | Very high | 88.2 | Confident | 74 Ų | 74 | 113 Ų | 113 | 45% | 0.454 | 51% | 0.507 | S | S | . | . | P | Polyproline II helix | trans | -75 | 163.1 | 169.5 | 64.4 | 0 | 0 | 0 | 0 | 110.4 | E157 Q158 L159 | T155-E157 VanDerWaalsContact C-N 3.34Å; T155-E157 PolarHBondContact O-N 3.4Å; T155-Q158 WeakPolarHBondContact O-CB 3.15Å; T155-Q158 PolarHBondContact O-N 3.46Å; T155-Q158 WeakPolarHBondContact OG1-CG 3.25Å; T155-Q158 PolarHBondContact OG1-N 2.94Å; T155-L159 WeakPolarHBondContact O-CG 3.43Å; T155-L159 PolarHBondContact O-N 3.03Å |
| 156 | D | 97.5 | Very high | 90.2 | Very high | 135 Ų | 135 | 103.7 Ų | 103.7 | 72% | 0.722 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -63.7 | -39.9 | -179.2 | -67.2 | -16.9 | 0 | 0 | 0 | 111.9 | Q158 L159 E160 | D156-Q158 VanDerWaalsContact C-N 3.34Å; D156-Q158 PolarHBondContact O-N 3.04Å; D156-L159 CarbonylContact O-C 3.52Å; D156-L159 WeakPolarHBondContact O-CB 3.21Å; D156-L159 PolarHBondContact O-N 3.26Å; D156-L159 VanDerWaalsContact O-N 3.1Å; D156-E160 PolarHBondContact O-N 3.17Å |
| 157 | E | 97.6 | Very high | 92.1 | Very high | 156 Ų | 156 | 101 Ų | 101 | 73% | 0.729 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -57.5 | -43 | 171.9 | -175.7 | -170.3 | 177.7 | 0 | 0 | 112.4 | T155 L159 E160 A161 | T155-E157 VanDerWaalsContact C-N 3.34Å; T155-E157 PolarHBondContact O-N 3.4Å; E157-L159 VanDerWaalsContact C-N 3.34Å; E157-L159 PolarHBondContact O-N 3.14Å; E157-E160 PolarHBondContact O-N 3.29Å; E157-A161 PolarHBondContact O-N 3.27Å; E157-A161 VanDerWaalsContact O-N 3.07Å |
| 158 | Q | 97.8 | Very high | 93.9 | Very high | 30 Ų | 30 | 99.2 Ų | 99.2 | 14% | 0.14 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -63.7 | -41.4 | 175.1 | -71.5 | 173.9 | -17.3 | 0 | 0 | 111.2 | F154 T155 D156 L162 V184 L186 | F154-Q158 HydrophobicContact CB-CB 4.27Å; T155-Q158 WeakPolarHBondContact O-CB 3.15Å; T155-Q158 PolarHBondContact O-N 3.46Å; T155-Q158 WeakPolarHBondContact OG1-CG 3.25Å; T155-Q158 PolarHBondContact OG1-N 2.94Å; D156-Q158 VanDerWaalsContact C-N 3.34Å; D156-Q158 PolarHBondContact O-N 3.04Å; Q158-L162 VanDerWaalsContact O-CB 3.3Å; Q158-L162 WeakPolarHBondContact O-CB 3.32Å; Q158-L162 VanDerWaalsContact O-CD1 3.25Å; Q158-L162 WeakPolarHBondContact O-CD1 3.3Å; Q158-L162 WeakPolarHBondContact O-CG 3.15Å; Q158-L162 PolarHBondContact O-N 3.34Å; Q158-V184 HydrophobicContact CG-CB 4.14Å; Q158-V184 PolarHBondContact NE2-O 2.72Å; Q158-L186 HydrophobicContact CG-CD1 4.48Å |
| 159 | L | 98.3 | Very high | 95 | Very high | 61 Ų | 61 | 91.3 Ų | 91.3 | 32% | 0.319 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -67.1 | -38.9 | 178.4 | -70.1 | 174 | 0 | 0 | 0 | 112.2 | F154 T155 D156 E157 L162 E163 | F154-L159 HydrophobicContact CB-CD2 3.81Å; F154-L159 HydrophobicContact CB-CG 3.86Å; F154-L159 HydrophobicContact CD2-CD2 4.15Å; F154-L159 HydrophobicContact CG-CD2 4.27Å; T155-L159 WeakPolarHBondContact O-CG 3.43Å; T155-L159 PolarHBondContact O-N 3.03Å; D156-L159 CarbonylContact O-C 3.52Å; D156-L159 WeakPolarHBondContact O-CB 3.21Å; D156-L159 PolarHBondContact O-N 3.26Å; D156-L159 VanDerWaalsContact O-N 3.1Å; E157-L159 VanDerWaalsContact C-N 3.34Å; E157-L159 PolarHBondContact O-N 3.14Å; L159-L162 PolarHBondContact O-N 3.06Å; L159-E163 VanDerWaalsContact O-CB 3.29Å; L159-E163 WeakPolarHBondContact O-CB 3.4Å; L159-E163 PolarHBondContact O-N 3.27Å |
| 160 | E | 98.3 | Very high | 96 | Very high | 121 Ų | 121 | 83.7 Ų | 83.7 | 57% | 0.565 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -61.8 | -52.4 | 175.2 | -175.3 | -177.8 | 174.2 | 0 | 0 | 110.9 | D156 E157 L162 E163 N164 | D156-E160 PolarHBondContact O-N 3.17Å; E157-E160 PolarHBondContact O-N 3.29Å; E160-L162 VanDerWaalsContact C-N 3.29Å; E160-L162 PolarHBondContact O-N 2.95Å; E160-E163 PolarHBondContact O-N 3.37Å; E160-E163 VanDerWaalsContact O-N 3.12Å; E160-N164 WeakPolarHBondContact O-CB 3.46Å; E160-N164 VanDerWaalsContact O-CG 3.23Å; E160-N164 PolarHBondContact O-N 3Å |
| 161 | A | 97.9 | Very high | 96.8 | Very high | 30 Ų | 30 | 82.6 Ų | 82.6 | 25% | 0.248 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -62.1 | -35.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | E157 L165 L180 V184 | E157-A161 PolarHBondContact O-N 3.27Å; E157-A161 VanDerWaalsContact O-N 3.07Å; A161-L165 PolarHBondContact O-N 2.97Å; A161-L180 HydrophobicContact CB-CD1 4.09Å; A161-V184 HydrophobicContact CB-CG1 3.61Å |
| 162 | L | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -66.8 | -41.3 | 172.7 | -77.4 | 162.8 | 0 | 0 | 0 | 112.4 | Q158 L159 E160 F166 L180 L186 V191 W194 F195 | Q158-L162 VanDerWaalsContact O-CB 3.3Å; Q158-L162 WeakPolarHBondContact O-CB 3.32Å; Q158-L162 VanDerWaalsContact O-CD1 3.25Å; Q158-L162 WeakPolarHBondContact O-CD1 3.3Å; Q158-L162 WeakPolarHBondContact O-CG 3.15Å; Q158-L162 PolarHBondContact O-N 3.34Å; L159-L162 PolarHBondContact O-N 3.06Å; E160-L162 VanDerWaalsContact C-N 3.29Å; E160-L162 PolarHBondContact O-N 2.95Å; L162-F166 WeakPolarHBondContact O-CB 3.5Å; L162-F166 PolarHBondContact O-N 3.01Å; L162-L180 HydrophobicContact CD2-CD2 3.71Å; L162-L180 HydrophobicContact CG-CD2 4.29Å; L162-L186 HydrophobicContact CD1-CD1 4.48Å; L162-V191 HydrophobicContact CD2-CB 4.44Å; L162-V191 HydrophobicContact CD2-CG1 3.89Å; L162-V191 HydrophobicContact CD2-CG2 4.33Å; L162-W194 HydrophobicContact CB-CD2 3.98Å; L162-W194 HydrophobicContact CB-CE3 4.01Å; L162-W194 HydrophobicContact CB-CH2 3.82Å; L162-W194 HydrophobicContact CB-CZ2 3.74Å; L162-W194 HydrophobicContact CB-CZ3 3.94Å; L162-W194 HydrophobicContact CD1-CD2 4.01Å; L162-W194 HydrophobicContact CD1-CG 3.89Å; L162-W194 HydrophobicContact CD2-CB 4.48Å; L162-W194 HydrophobicContact CD2-CD2 4.04Å; L162-W194 HydrophobicContact CD2-CE3 3.95Å; L162-W194 HydrophobicContact CD2-CG 4.27Å; L162-W194 HydrophobicContact CG-CD2 4.25Å; L162-W194 HydrophobicContact CG-CE3 4.45Å; L162-W194 WeakPolarHBondContact O-CZ3 3.26Å; L162-F195 HydrophobicContact CD2-CD2 4.39Å; L162-F195 HydrophobicContact CD2-CE2 3.95Å |
| 163 | E | 98.4 | Very high | 97.6 | Very high | 46 Ų | 46 | 75.9 Ų | 75.9 | 22% | 0.215 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -72.8 | -39.2 | 179.8 | -170.8 | 63.1 | -155 | 0 | 0 | 112 | L159 E160 F166 Q167 W194 R198 | L159-E163 VanDerWaalsContact O-CB 3.29Å; L159-E163 WeakPolarHBondContact O-CB 3.4Å; L159-E163 PolarHBondContact O-N 3.27Å; E160-E163 PolarHBondContact O-N 3.37Å; E160-E163 VanDerWaalsContact O-N 3.12Å; E163-F166 CarbonylContact O-C 3.59Å; E163-F166 WeakPolarHBondContact O-CA 3.49Å; E163-F166 WeakPolarHBondContact O-CB 3.41Å; E163-F166 PolarHBondContact O-N 3.3Å; E163-Q167 WeakPolarHBondContact O-CG 3.47Å; E163-Q167 PolarHBondContact O-N 3.47Å; E163-Q167 PolarHBondContact OE1-NE2 3.4Å; E163-W194 WeakPolarHBondContact OE2-CH2 3.42Å; E163-R198 IonicContact OE1-CZ 3.47Å; E163-R198 IonicContact OE1-NE 3.32Å; E163-R198 PolarHBondContact OE1-NE 3.09Å; E163-R198 IonicContact OE1-NH2 2.81Å; E163-R198 PolarHBondContact OE1-NH2 3.29Å; E163-R198 IonicContact OE2-CZ 3.42Å; E163-R198 IonicContact OE2-NE 2.64Å; E163-R198 PolarHBondContact OE2-NE 3.32Å; E163-R198 IonicContact OE2-NH2 3.57Å; E163-R198 PolarHBondContact OE2-NH2 2.61Å |
| 164 | N | 98.1 | Very high | 97.8 | Very high | 85 Ų | 85 | 71.8 Ų | 71.8 | 46% | 0.455 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -58.3 | -51.3 | 175.9 | -71.3 | -14 | 0 | 0 | 0 | 110.8 | E160 F166 Q167 E168 | E160-N164 WeakPolarHBondContact O-CB 3.46Å; E160-N164 VanDerWaalsContact O-CG 3.23Å; E160-N164 PolarHBondContact O-N 3Å; N164-F166 VanDerWaalsContact C-N 3.27Å; N164-F166 PolarHBondContact O-N 3.47Å; N164-Q167 PolarHBondContact O-N 2.94Å; N164-Q167 VanDerWaalsContact O-N 3.07Å; N164-E168 PolarHBondContact O-N 3.42Å |
| 165 | L | 98.1 | Very high | 97.9 | Very high | 17 Ų | 17 | 71.3 Ų | 71.3 | 9% | 0.089 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.2 | -35 | 173.2 | -178.8 | 65.9 | 0 | 0 | 0 | 112 | A161 Q167 E168 T169 P172 T176 L180 F195 | A161-L165 PolarHBondContact O-N 2.97Å; L165-Q167 VanDerWaalsContact C-N 3.29Å; L165-Q167 PolarHBondContact O-N 3.19Å; L165-E168 PolarHBondContact O-N 3.32Å; L165-T169 HydrophobicContact CD1-CG2 3.98Å; L165-T169 HydrophobicContact CG-CG2 4.41Å; L165-T169 PolarHBondContact O-N 3.48Å; L165-T169 VanDerWaalsContact O-O 3.13Å; L165-P172 HydrophobicContact CD2-CB 4.14Å; L165-P172 HydrophobicContact CD2-CG 4.44Å; L165-T176 HydrophobicContact CD1-CG2 3.83Å; L165-T176 HydrophobicContact CD2-CG2 4.02Å; L165-L180 HydrophobicContact CB-CD2 4.24Å; L165-L180 HydrophobicContact CD2-CB 4.21Å; L165-L180 HydrophobicContact CD2-CD2 3.62Å; L165-L180 HydrophobicContact CD2-CG 4.46Å; L165-F195 HydrophobicContact CB-CZ 4.2Å; L165-F195 HydrophobicContact CD2-CE2 4.22Å; L165-F195 HydrophobicContact CD2-CZ 3.82Å; L165-F195 HydrophobicContact CG-CZ 3.94Å |
| 166 | F | 98.2 | Very high | 97.9 | Very high | 2 Ų | 2 | 70.3 Ų | 70.3 | 1% | 0.009 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.6 | -32.5 | 175.1 | -173.6 | -101.5 | 0 | 0 | 0 | 112.4 | L162 E163 N164 T169 K170 W194 F195 R198 R199 W202 | L162-F166 WeakPolarHBondContact O-CB 3.5Å; L162-F166 PolarHBondContact O-N 3.01Å; E163-F166 CarbonylContact O-C 3.59Å; E163-F166 WeakPolarHBondContact O-CA 3.49Å; E163-F166 WeakPolarHBondContact O-CB 3.41Å; E163-F166 PolarHBondContact O-N 3.3Å; N164-F166 VanDerWaalsContact C-N 3.27Å; N164-F166 PolarHBondContact O-N 3.47Å; F166-T169 CarbonylContact O-C 3.57Å; F166-K170 HydrophobicContact CD1-CD 3.91Å; F166-K170 HydrophobicContact CD2-CD 4.17Å; F166-K170 HydrophobicContact CE1-CD 3.47Å; F166-K170 VanDerWaalsContact CE1-CD 3.47Å; F166-K170 HydrophobicContact CE2-CB 4.24Å; F166-K170 HydrophobicContact CE2-CD 3.76Å; F166-K170 HydrophobicContact CG-CD 4.24Å; F166-K170 HydrophobicContact CZ-CD 3.38Å; F166-K170 VanDerWaalsContact O-CD 3.26Å; F166-K170 WeakPolarHBondContact O-CD 3.25Å; F166-K170 VanDerWaalsContact O-CE 3.32Å; F166-K170 WeakPolarHBondContact O-CE 3.41Å; F166-K170 PolarHBondContact O-NZ 2.96Å; F166-W194 HydrophobicContact CB-CH2 4.09Å; F166-W194 HydrophobicContact CB-CZ3 3.99Å; F166-W194 HydrophobicContact CD2-CZ3 4.32Å; F166-W194 HydrophobicContact CG-CH2 4.47Å; F166-W194 HydrophobicContact CG-CZ3 4.32Å; F166-F195 HydrophobicContact CB-CE1 3.97Å; F166-F195 HydrophobicContact CB-CZ 4.28Å; F166-F195 AromaticContact CD2-CD1 3.79Å; F166-F195 HydrophobicContact CD2-CD1 3.79Å; F166-F195 AromaticContact CD2-CE1 3.7Å; F166-F195 HydrophobicContact CD2-CE1 3.7Å; F166-F195 HydrophobicContact CE2-CD1 4.5Å; F166-F195 HydrophobicContact CG-CE1 4.34Å; F166-R198 HydrophobicContact CD1-CG 3.77Å; F166-R198 HydrophobicContact CD2-CB 4.27Å; F166-R198 HydrophobicContact CD2-CG 3.7Å; F166-R198 HydrophobicContact CE1-CG 3.66Å; F166-R198 HydrophobicContact CE2-CB 4.07Å; F166-R198 HydrophobicContact CE2-CG 3.6Å; F166-R198 HydrophobicContact CG-CG 3.79Å; F166-R198 HydrophobicContact CZ-CB 4.38Å; F166-R198 HydrophobicContact CZ-CG 3.58Å; F166-R199 HydrophobicContact CE2-CG 3.89Å; F166-R199 HydrophobicContact CZ-CG 4.43Å; F166-W202 HydrophobicContact CZ-CB 4.36Å |
| 167 | Q | 97.6 | Very high | 97.9 | Very high | 108 Ų | 108 | 65.7 Ų | 65.7 | 51% | 0.505 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -67.4 | -45.4 | 174.9 | -65.8 | -52.3 | -26.5 | 0 | 0 | 111.6 | E163 N164 L165 K170 | E163-Q167 WeakPolarHBondContact O-CG 3.47Å; E163-Q167 PolarHBondContact O-N 3.47Å; E163-Q167 PolarHBondContact OE1-NE2 3.4Å; N164-Q167 PolarHBondContact O-N 2.94Å; N164-Q167 VanDerWaalsContact O-N 3.07Å; L165-Q167 VanDerWaalsContact C-N 3.29Å; L165-Q167 PolarHBondContact O-N 3.19Å; Q167-K170 PolarHBondContact O-NZ 3.48Å |
| 168 | E | 97.5 | Very high | 98 | Very high | 157 Ų | 157 | 62.8 Ų | 62.8 | 73% | 0.734 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -59.5 | -56.4 | 172.7 | -64.2 | 172.3 | -166.7 | 0 | 0 | 112.3 | N164 L165 | N164-E168 PolarHBondContact O-N 3.42Å; L165-E168 PolarHBondContact O-N 3.32Å |
| 169 | T | 97.3 | Very high | 98 | Very high | 48 Ų | 48 | 66.2 Ų | 66.2 | 29% | 0.294 | 34% | 0.336 | S | S | . | . | trans | -137.4 | 126.2 | 179.8 | 178 | 0 | 0 | 0 | 0 | 113.1 | L165 F166 Y171 P172 | L165-T169 HydrophobicContact CD1-CG2 3.98Å; L165-T169 HydrophobicContact CG-CG2 4.41Å; L165-T169 PolarHBondContact O-N 3.48Å; L165-T169 VanDerWaalsContact O-O 3.13Å; F166-T169 CarbonylContact O-C 3.57Å; T169-Y171 PolarHBondContact O-N 3.46Å; T169-Y171 VanDerWaalsContact OG1-C 3.28Å; T169-Y171 PolarHBondContact OG1-N 3.33Å; T169-Y171 PolarHBondContact OG1-O 3.14Å; T169-P172 HydrophobicContact CG2-CB 3.92Å | ||
| 170 | K | 97.3 | Very high | 98 | Very high | 55 Ų | 55 | 64 Ų | 64 | 24% | 0.239 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -74.4 | -16 | 175.7 | -50.4 | -67.6 | 171.5 | -71.5 | 0 | 111.8 | F166 Q167 R199 | F166-K170 HydrophobicContact CD1-CD 3.91Å; F166-K170 HydrophobicContact CD2-CD 4.17Å; F166-K170 HydrophobicContact CE1-CD 3.47Å; F166-K170 VanDerWaalsContact CE1-CD 3.47Å; F166-K170 HydrophobicContact CE2-CB 4.24Å; F166-K170 HydrophobicContact CE2-CD 3.76Å; F166-K170 HydrophobicContact CG-CD 4.24Å; F166-K170 HydrophobicContact CZ-CD 3.38Å; F166-K170 VanDerWaalsContact O-CD 3.26Å; F166-K170 WeakPolarHBondContact O-CD 3.25Å; F166-K170 VanDerWaalsContact O-CE 3.32Å; F166-K170 WeakPolarHBondContact O-CE 3.41Å; F166-K170 PolarHBondContact O-NZ 2.96Å; Q167-K170 PolarHBondContact O-NZ 3.48Å; K170-R199 VanDerWaalsContact O-CD 3.28Å; K170-R199 WeakPolarHBondContact O-CD 3.29Å; K170-R199 PolarHBondContact O-NH1 2.86Å |
| 171 | Y | 98 | Very high | 98 | Very high | 156 Ų | 156 | 58.5 Ų | 58.5 | 61% | 0.612 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -137.5 | 75.2 | -177.5 | -65.1 | -90.5 | 0 | 0 | 0 | 110.5 | T169 R199 | T169-Y171 PolarHBondContact O-N 3.46Å; T169-Y171 VanDerWaalsContact OG1-C 3.28Å; T169-Y171 PolarHBondContact OG1-N 3.33Å; T169-Y171 PolarHBondContact OG1-O 3.14Å; Y171-R199 VanDerWaalsContact CE1-NE 3.26Å |
| 172 | P | 97.5 | Very high | 98 | Very high | 12 Ų | 12 | 65.7 Ų | 65.7 | 8% | 0.078 | 32% | 0.321 | C | S | . | . | trans | -69.5 | 143.8 | 175.1 | 30 | -36.7 | 0 | 0 | 0 | 111.6 | L165 T169 T176 R177 F195 | L165-P172 HydrophobicContact CD2-CB 4.14Å; L165-P172 HydrophobicContact CD2-CG 4.44Å; T169-P172 HydrophobicContact CG2-CB 3.92Å; P172-T176 HydrophobicContact CB-CG2 4.24Å; P172-R177 HydrophobicContact CB-CG 4.07Å; P172-R177 HydrophobicContact CG-CG 3.78Å; P172-R177 PolarHBondContact O-NE 2.79Å; P172-F195 VanDerWaalsContact CD-CD1 3.41Å; P172-F195 VanDerWaalsContact CD-CE1 3.45Å; P172-F195 HydrophobicContact CG-CD1 3.62Å; P172-F195 HydrophobicContact CG-CD2 4.17Å; P172-F195 HydrophobicContact CG-CE1 3.5Å; P172-F195 VanDerWaalsContact CG-CE1 3.5Å; P172-F195 HydrophobicContact CG-CE2 4.07Å; P172-F195 HydrophobicContact CG-CG 3.97Å; P172-F195 HydrophobicContact CG-CZ 3.76Å | ||
| 173 | D | 98.2 | Very high | 97.9 | Very high | 105 Ų | 105 | 72.6 Ų | 72.6 | 56% | 0.561 | 35% | 0.351 | S | S | * | . | trans | -68.1 | 167.9 | 173.1 | -178.9 | 47.3 | 0 | 0 | 0 | 112.1 | G175 T176 R177 | D173-G175 PolarHBondContact OD2-N 2.82Å; D173-T176 PolarHBondContact O-N 2.98Å; D173-R177 WeakPolarHBondContact O-CG 3.32Å; D173-R177 PolarHBondContact O-N 3.17Å; D173-R177 PolarHBondContact O-NE 3.3Å | ||
| 174 | V | 97.6 | Very high | 97.9 | Very high | 65 Ų | 65 | 71.1 Ų | 71.1 | 39% | 0.394 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -51.5 | -51.9 | 172.5 | -174.6 | 0 | 0 | 0 | 0 | 111 | T176 R177 E178 | V174-T176 VanDerWaalsContact C-N 3.32Å; V174-T176 PolarHBondContact O-N 3.09Å; V174-R177 WeakPolarHBondContact O-CB 3.46Å; V174-R177 PolarHBondContact O-N 2.84Å; V174-R177 VanDerWaalsContact O-N 3.09Å; V174-E178 HydrophobicContact CG1-CG 4.32Å; V174-E178 WeakPolarHBondContact O-CG 3.26Å; V174-E178 PolarHBondContact O-N 3.38Å |
| 175 | G | 98.2 | Very high | 97.8 | Very high | 35 Ų | 35 | 75.1 Ų | 75.1 | 36% | 0.361 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.2 | -39.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | D173 E178 Q179 | D173-G175 PolarHBondContact OD2-N 2.82Å; G175-E178 PolarHBondContact O-N 3.27Å; G175-Q179 PolarHBondContact O-N 3.11Å |
| 176 | T | 97.9 | Very high | 97.7 | Very high | 52 Ų | 52 | 75.8 Ų | 75.8 | 32% | 0.319 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -66.6 | -40.4 | 175.2 | -42.9 | 0 | 0 | 0 | 0 | 111.7 | L165 P172 D173 V174 Q179 L180 | L165-T176 HydrophobicContact CD1-CG2 3.83Å; L165-T176 HydrophobicContact CD2-CG2 4.02Å; P172-T176 HydrophobicContact CB-CG2 4.24Å; D173-T176 PolarHBondContact O-N 2.98Å; V174-T176 VanDerWaalsContact C-N 3.32Å; V174-T176 PolarHBondContact O-N 3.09Å; T176-Q179 PolarHBondContact O-N 3.35Å; T176-L180 PolarHBondContact O-N 3.24Å |
| 177 | R | 98.5 | Very high | 97.7 | Very high | 38 Ų | 38 | 82.8 Ų | 82.8 | 14% | 0.143 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -65 | -41.2 | 175.1 | -75.2 | -179.3 | -78.6 | 146.5 | -8.4 | 112.1 | P172 D173 V174 L180 A181 E188 V191 | P172-R177 HydrophobicContact CB-CG 4.07Å; P172-R177 HydrophobicContact CG-CG 3.78Å; P172-R177 PolarHBondContact O-NE 2.79Å; D173-R177 WeakPolarHBondContact O-CG 3.32Å; D173-R177 PolarHBondContact O-N 3.17Å; D173-R177 PolarHBondContact O-NE 3.3Å; V174-R177 WeakPolarHBondContact O-CB 3.46Å; V174-R177 PolarHBondContact O-N 2.84Å; V174-R177 VanDerWaalsContact O-N 3.09Å; R177-L180 PolarHBondContact O-N 3.41Å; R177-A181 WeakPolarHBondContact O-CB 3.45Å; R177-A181 PolarHBondContact O-N 3.48Å; R177-E188 HydrophobicContact CB-CG 4.14Å; R177-E188 WeakPolarHBondContact CB-OE1 3.5Å; R177-E188 WeakPolarHBondContact CD-OE1 3.18Å; R177-E188 IonicContact CZ-OE1 2.69Å; R177-E188 IonicContact NE-OE1 3.44Å; R177-E188 IonicContact NH1-OE1 2.69Å; R177-E188 PolarHBondContact NH1-OE1 3.38Å; R177-V191 HydrophobicContact CB-CG1 4.15Å; R177-V191 HydrophobicContact CG-CG1 3.95Å |
| 178 | E | 98.5 | Very high | 97.7 | Very high | 95 Ų | 95 | 80.1 Ų | 80.1 | 44% | 0.444 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.7 | -38.6 | 175.9 | -72.5 | -179.9 | 166.7 | 0 | 0 | 112.7 | V174 G175 R182 E188 | V174-E178 HydrophobicContact CG1-CG 4.32Å; V174-E178 WeakPolarHBondContact O-CG 3.26Å; V174-E178 PolarHBondContact O-N 3.38Å; G175-E178 PolarHBondContact O-N 3.27Å; E178-R182 WeakPolarHBondContact O-CG 3.4Å; E178-R182 PolarHBondContact O-N 3.23Å; E178-R182 PolarHBondContact O-NE 3.06Å; E178-E188 HydrophobicContact CG-CB 4.44Å; E178-E188 HydrophobicContact CG-CG 3.88Å |
| 179 | Q | 98.2 | Very high | 97.7 | Very high | 102 Ų | 102 | 76 Ų | 76 | 48% | 0.477 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.9 | -45.3 | 174.3 | -169.3 | -174.3 | 10.7 | 0 | 0 | 111.2 | G175 T176 R182 K183 | G175-Q179 PolarHBondContact O-N 3.11Å; T176-Q179 PolarHBondContact O-N 3.35Å; Q179-R182 PolarHBondContact O-N 3.43Å; Q179-K183 WeakPolarHBondContact O-CG 3.45Å; Q179-K183 PolarHBondContact O-N 3.48Å; Q179-K183 VanDerWaalsContact O-N 3.14Å |
| 180 | L | 98.2 | Very high | 97.7 | Very high | 16 Ų | 16 | 76 Ų | 76 | 8% | 0.084 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.1 | -47.8 | 175.6 | -178.2 | 64.2 | 0 | 0 | 0 | 111.2 | A161 L162 L165 T176 R177 R182 K183 V184 V191 F195 | A161-L180 HydrophobicContact CB-CD1 4.09Å; L162-L180 HydrophobicContact CD2-CD2 3.71Å; L162-L180 HydrophobicContact CG-CD2 4.29Å; L165-L180 HydrophobicContact CB-CD2 4.24Å; L165-L180 HydrophobicContact CD2-CB 4.21Å; L165-L180 HydrophobicContact CD2-CD2 3.62Å; L165-L180 HydrophobicContact CD2-CG 4.46Å; T176-L180 PolarHBondContact O-N 3.24Å; R177-L180 PolarHBondContact O-N 3.41Å; L180-R182 VanDerWaalsContact C-N 3.26Å; L180-R182 PolarHBondContact O-N 3Å; L180-K183 WeakPolarHBondContact O-CA 3.45Å; L180-K183 WeakPolarHBondContact O-CB 3.44Å; L180-K183 PolarHBondContact O-N 3.44Å; L180-V184 HydrophobicContact CD1-CG1 3.77Å; L180-V184 HydrophobicContact CG-CG1 4.35Å; L180-V184 WeakPolarHBondContact O-CG2 3.42Å; L180-V184 PolarHBondContact O-N 2.86Å; L180-V191 HydrophobicContact CD2-CG1 4.19Å; L180-F195 HydrophobicContact CD2-CE2 4.34Å |
| 181 | A | 98.1 | Very high | 97.7 | Very high | 5 Ų | 5 | 73.3 Ų | 73.3 | 4% | 0.041 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -53.5 | -42.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | R177 H185 L186 E188 V191 | R177-A181 WeakPolarHBondContact O-CB 3.45Å; R177-A181 PolarHBondContact O-N 3.48Å; A181-H185 PolarHBondContact O-N 3.14Å; A181-H185 VanDerWaalsContact O-N 3.12Å; A181-L186 CarbonylContact C-O 3.5Å; A181-L186 WeakPolarHBondContact CB-O 3.3Å; A181-L186 PolarHBondContact O-N 3.49Å; A181-E188 HydrophobicContact CB-CB 4.47Å; A181-V191 HydrophobicContact CB-CG2 3.85Å |
| 182 | R | 98.1 | Very high | 97.7 | Very high | 181 Ų | 181 | 68.7 Ų | 68.7 | 68% | 0.683 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -63.6 | -45.8 | 172.8 | -76.3 | -176.5 | -72.9 | 165.6 | -7 | 113 | E178 Q179 L180 V184 | E178-R182 WeakPolarHBondContact O-CG 3.4Å; E178-R182 PolarHBondContact O-N 3.23Å; E178-R182 PolarHBondContact O-NE 3.06Å; Q179-R182 PolarHBondContact O-N 3.43Å; L180-R182 VanDerWaalsContact C-N 3.26Å; L180-R182 PolarHBondContact O-N 3Å; R182-V184 VanDerWaalsContact C-N 3.33Å; R182-V184 PolarHBondContact O-N 3.32Å |
| 183 | K | 97.3 | Very high | 97.7 | Very high | 144 Ų | 144 | 71.2 Ų | 71.2 | 63% | 0.626 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -60 | -40.6 | 178.1 | -73 | 178.3 | 176.3 | -176.2 | 0 | 112.7 | Q179 L180 | Q179-K183 WeakPolarHBondContact O-CG 3.45Å; Q179-K183 PolarHBondContact O-N 3.48Å; Q179-K183 VanDerWaalsContact O-N 3.14Å; L180-K183 WeakPolarHBondContact O-CA 3.45Å; L180-K183 WeakPolarHBondContact O-CB 3.44Å; L180-K183 PolarHBondContact O-N 3.44Å |
| 184 | V | 96.8 | Very high | 97.7 | Very high | 15 Ų | 15 | 67.5 Ų | 67.5 | 9% | 0.091 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 10.6 | -172.9 | -51.1 | 0 | 0 | 0 | 0 | 113.8 | Q158 A161 L180 R182 L186 | Q158-V184 HydrophobicContact CG-CB 4.14Å; Q158-V184 PolarHBondContact NE2-O 2.72Å; A161-V184 HydrophobicContact CB-CG1 3.61Å; L180-V184 HydrophobicContact CD1-CG1 3.77Å; L180-V184 HydrophobicContact CG-CG1 4.35Å; L180-V184 WeakPolarHBondContact O-CG2 3.42Å; L180-V184 PolarHBondContact O-N 2.86Å; R182-V184 VanDerWaalsContact C-N 3.33Å; R182-V184 PolarHBondContact O-N 3.32Å; V184-L186 VanDerWaalsContact C-N 3.33Å; V184-L186 HydrophobicContact CG2-CB 4.02Å; V184-L186 HydrophobicContact CG2-CD1 3.64Å; V184-L186 HydrophobicContact CG2-CG 3.81Å; V184-L186 PolarHBondContact O-N 3.39Å |
| 185 | H | 97.4 | Very high | 97.7 | Very high | 170 Ų | 170 | 64.5 Ų | 64.5 | 79% | 0.787 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 42.1 | -178.4 | -59.4 | -72.2 | 0 | 0 | 0 | 114.8 | A181 | A181-H185 PolarHBondContact O-N 3.14Å; A181-H185 VanDerWaalsContact O-N 3.12Å |
| 186 | L | 96.4 | Very high | 97.7 | Very high | 31 Ų | 31 | 67.4 Ų | 67.4 | 16% | 0.162 | 30% | 0.304 | C | S | . | . | trans | -113.2 | 161.8 | 175.8 | -68.1 | 175.4 | 0 | 0 | 0 | 111.7 | F154 Q158 L162 A181 V184 V191 | F154-L186 HydrophobicContact CD1-CD1 3.68Å; F154-L186 HydrophobicContact CD1-CD2 4.2Å; F154-L186 HydrophobicContact CE1-CD1 3.67Å; F154-L186 HydrophobicContact CE1-CD2 4.2Å; Q158-L186 HydrophobicContact CG-CD1 4.48Å; L162-L186 HydrophobicContact CD1-CD1 4.48Å; A181-L186 CarbonylContact C-O 3.5Å; A181-L186 WeakPolarHBondContact CB-O 3.3Å; A181-L186 PolarHBondContact O-N 3.49Å; V184-L186 VanDerWaalsContact C-N 3.33Å; V184-L186 HydrophobicContact CG2-CB 4.02Å; V184-L186 HydrophobicContact CG2-CD1 3.64Å; V184-L186 HydrophobicContact CG2-CG 3.81Å; V184-L186 PolarHBondContact O-N 3.39Å; L186-V191 HydrophobicContact CB-CG2 4.45Å | ||
| 187 | R | 96.8 | Very high | 97.7 | Very high | 149 Ų | 149 | 69.9 Ų | 69.9 | 56% | 0.562 | 32% | 0.315 | S | S | * | . | trans | -77.6 | 142 | 165.4 | -62.2 | -167.8 | -69.5 | 109.6 | -1.3 | 109.4 | E189 K190 V191 | R187-E189 VanDerWaalsContact C-N 3.26Å; R187-E189 IonicContact CZ-OE2 3.36Å; R187-E189 IonicContact NH1-OE2 2.67Å; R187-E189 PolarHBondContact NH1-OE2 3.21Å; R187-E189 IonicContact NH2-OE2 3.23Å; R187-E189 PolarHBondContact NH2-OE2 2.79Å; R187-E189 PolarHBondContact O-N 3.5Å; R187-K190 HydrophobicContact CB-CG 4.36Å; R187-K190 WeakPolarHBondContact O-CA 3.36Å; R187-K190 VanDerWaalsContact O-CB 3.3Å; R187-K190 WeakPolarHBondContact O-CB 3.48Å; R187-K190 PolarHBondContact O-N 3.06Å; R187-V191 PolarHBondContact O-N 3.2Å | ||
| 188 | E | 97.8 | Very high | 97.7 | Very high | 51 Ų | 51 | 70.3 Ų | 70.3 | 24% | 0.238 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -49.8 | -45.5 | 178.3 | -170 | -66.9 | 136.1 | 0 | 0 | 111.8 | R177 E178 A181 K190 V191 E192 | R177-E188 HydrophobicContact CB-CG 4.14Å; R177-E188 WeakPolarHBondContact CB-OE1 3.5Å; R177-E188 WeakPolarHBondContact CD-OE1 3.18Å; R177-E188 IonicContact CZ-OE1 2.69Å; R177-E188 IonicContact NE-OE1 3.44Å; R177-E188 IonicContact NH1-OE1 2.69Å; R177-E188 PolarHBondContact NH1-OE1 3.38Å; E178-E188 HydrophobicContact CG-CB 4.44Å; E178-E188 HydrophobicContact CG-CG 3.88Å; A181-E188 HydrophobicContact CB-CB 4.47Å; E188-K190 PolarHBondContact O-N 3.21Å; E188-V191 CarbonylContact O-C 3.59Å; E188-V191 WeakPolarHBondContact O-CA 3.13Å; E188-V191 WeakPolarHBondContact O-CB 3.35Å; E188-V191 PolarHBondContact O-N 2.76Å; E188-E192 PolarHBondContact O-N 3.06Å |
| 189 | E | 97.1 | Very high | 97.7 | Very high | 71 Ų | 71 | 67.8 Ų | 67.8 | 33% | 0.332 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -47.4 | -35.6 | 174.8 | -171.4 | -159.6 | -177.8 | 0 | 0 | 113 | R187 V193 | R187-E189 VanDerWaalsContact C-N 3.26Å; R187-E189 IonicContact CZ-OE2 3.36Å; R187-E189 IonicContact NH1-OE2 2.67Å; R187-E189 PolarHBondContact NH1-OE2 3.21Å; R187-E189 IonicContact NH2-OE2 3.23Å; R187-E189 PolarHBondContact NH2-OE2 2.79Å; R187-E189 PolarHBondContact O-N 3.5Å; E189-V193 WeakPolarHBondContact O-CB 3.28Å; E189-V193 VanDerWaalsContact O-CG2 3.25Å; E189-V193 WeakPolarHBondContact O-CG2 3.49Å; E189-V193 PolarHBondContact O-N 3.12Å |
| 190 | K | 97.3 | Very high | 97.6 | Very high | 47 Ų | 47 | 63.7 Ų | 63.7 | 20% | 0.204 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -75.1 | -38.3 | 179.5 | -59 | -64.2 | 179 | 165.7 | 0 | 111.9 | T152 F154 R187 E188 W194 | T152-K190 WeakPolarHBondContact OG1-CD 3.34Å; T152-K190 VanDerWaalsContact OG1-CE 3.26Å; T152-K190 WeakPolarHBondContact OG1-CE 3.44Å; T152-K190 PolarHBondContact OG1-NZ 3.36Å; F154-K190 HydrophobicContact CE1-CB 4.23Å; F154-K190 HydrophobicContact CZ-CB 4.46Å; R187-K190 HydrophobicContact CB-CG 4.36Å; R187-K190 WeakPolarHBondContact O-CA 3.36Å; R187-K190 VanDerWaalsContact O-CB 3.3Å; R187-K190 WeakPolarHBondContact O-CB 3.48Å; R187-K190 PolarHBondContact O-N 3.06Å; E188-K190 PolarHBondContact O-N 3.21Å; K190-W194 VanDerWaalsContact O-CB 3.32Å; K190-W194 WeakPolarHBondContact O-CB 3.39Å; K190-W194 PolarHBondContact O-N 3.38Å |
| 191 | V | 97.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.3 | -48 | 172.1 | -178.3 | 0 | 0 | 0 | 0 | 109.5 | L162 R177 L180 A181 L186 R187 E188 V193 W194 F195 | L162-V191 HydrophobicContact CD2-CB 4.44Å; L162-V191 HydrophobicContact CD2-CG1 3.89Å; L162-V191 HydrophobicContact CD2-CG2 4.33Å; R177-V191 HydrophobicContact CB-CG1 4.15Å; R177-V191 HydrophobicContact CG-CG1 3.95Å; L180-V191 HydrophobicContact CD2-CG1 4.19Å; A181-V191 HydrophobicContact CB-CG2 3.85Å; L186-V191 HydrophobicContact CB-CG2 4.45Å; R187-V191 PolarHBondContact O-N 3.2Å; E188-V191 CarbonylContact O-C 3.59Å; E188-V191 WeakPolarHBondContact O-CA 3.13Å; E188-V191 WeakPolarHBondContact O-CB 3.35Å; E188-V191 PolarHBondContact O-N 2.76Å; V191-V193 PolarHBondContact O-N 3.12Å; V191-W194 WeakPolarHBondContact O-CB 3.49Å; V191-W194 PolarHBondContact O-N 3.31Å; V191-F195 HydrophobicContact CG1-CD2 3.75Å; V191-F195 HydrophobicContact CG1-CE2 3.82Å; V191-F195 WeakPolarHBondContact O-CD2 3.18Å; V191-F195 PolarHBondContact O-N 3.26Å |
| 192 | E | 98 | Very high | 97.3 | Very high | 59 Ų | 59 | 73.3 Ų | 73.3 | 28% | 0.276 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -55.4 | -51.6 | 176.5 | -169.5 | -160.6 | -158.9 | 0 | 0 | 112.2 | E188 W194 F195 K196 | E188-E192 PolarHBondContact O-N 3.06Å; E192-W194 VanDerWaalsContact C-N 3.3Å; E192-W194 PolarHBondContact O-N 2.84Å; E192-F195 PolarHBondContact O-N 3.2Å; E192-K196 VanDerWaalsContact CD-CE 3.46Å; E192-K196 HydrophobicContact CG-CD 4.19Å; E192-K196 WeakPolarHBondContact O-CG 3.38Å; E192-K196 PolarHBondContact O-N 2.85Å; E192-K196 WeakPolarHBondContact OE1-CE 3.42Å; E192-K196 IonicContact OE1-NZ 2.65Å; E192-K196 PolarHBondContact OE1-NZ 2.8Å; E192-K196 IonicContact OE2-NZ 3.36Å; E192-K196 PolarHBondContact OE2-NZ 2.96Å |
| 193 | V | 97.6 | Very high | 97.2 | Very high | 64 Ų | 64 | 71.4 Ų | 71.4 | 39% | 0.388 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.8 | -36.5 | 179.6 | 169.9 | 0 | 0 | 0 | 0 | 111.3 | E189 V191 N197 | E189-V193 WeakPolarHBondContact O-CB 3.28Å; E189-V193 VanDerWaalsContact O-CG2 3.25Å; E189-V193 WeakPolarHBondContact O-CG2 3.49Å; E189-V193 PolarHBondContact O-N 3.12Å; V191-V193 PolarHBondContact O-N 3.12Å; V193-N197 WeakPolarHBondContact O-CB 3.38Å; V193-N197 VanDerWaalsContact O-CG 3.3Å; V193-N197 PolarHBondContact O-N 3.08Å; V193-N197 PolarHBondContact O-ND2 2.83Å |
| 194 | W | 97.9 | Very high | 97 | Very high | 27 Ų | 27 | 73 Ų | 73 | 10% | 0.102 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.2 | -49.7 | 173.4 | -173 | 102.6 | 0 | 0 | 0 | 111.1 | F154 L162 E163 F166 K190 V191 E192 K196 N197 R198 | F154-W194 AromaticContact CD2-CD1 3.91Å; F154-W194 AromaticContact CE2-CD1 3.65Å; F154-W194 HydrophobicContact CE2-CG 4.49Å; F154-W194 HydrophobicContact CZ-CB 4.39Å; L162-W194 HydrophobicContact CB-CD2 3.98Å; L162-W194 HydrophobicContact CB-CE3 4.01Å; L162-W194 HydrophobicContact CB-CH2 3.82Å; L162-W194 HydrophobicContact CB-CZ2 3.74Å; L162-W194 HydrophobicContact CB-CZ3 3.94Å; L162-W194 HydrophobicContact CD1-CD2 4.01Å; L162-W194 HydrophobicContact CD1-CG 3.89Å; L162-W194 HydrophobicContact CD2-CB 4.48Å; L162-W194 HydrophobicContact CD2-CD2 4.04Å; L162-W194 HydrophobicContact CD2-CE3 3.95Å; L162-W194 HydrophobicContact CD2-CG 4.27Å; L162-W194 HydrophobicContact CG-CD2 4.25Å; L162-W194 HydrophobicContact CG-CE3 4.45Å; L162-W194 WeakPolarHBondContact O-CZ3 3.26Å; E163-W194 WeakPolarHBondContact OE2-CH2 3.42Å; F166-W194 HydrophobicContact CB-CH2 4.09Å; F166-W194 HydrophobicContact CB-CZ3 3.99Å; F166-W194 HydrophobicContact CD2-CZ3 4.32Å; F166-W194 HydrophobicContact CG-CH2 4.47Å; F166-W194 HydrophobicContact CG-CZ3 4.32Å; K190-W194 VanDerWaalsContact O-CB 3.32Å; K190-W194 WeakPolarHBondContact O-CB 3.39Å; K190-W194 PolarHBondContact O-N 3.38Å; V191-W194 WeakPolarHBondContact O-CB 3.49Å; V191-W194 PolarHBondContact O-N 3.31Å; E192-W194 VanDerWaalsContact C-N 3.3Å; E192-W194 PolarHBondContact O-N 2.84Å; W194-K196 PolarHBondContact O-N 3.43Å; W194-N197 CarbonylContact O-C 3.56Å; W194-N197 PolarHBondContact O-N 3.09Å; W194-N197 VanDerWaalsContact O-N 3.13Å; W194-R198 HydrophobicContact CD2-CB 4.42Å; W194-R198 HydrophobicContact CE3-CB 3.98Å; W194-R198 HydrophobicContact CH2-CB 3.99Å; W194-R198 HydrophobicContact CH2-CG 3.63Å; W194-R198 HydrophobicContact CZ2-CB 4.44Å; W194-R198 HydrophobicContact CZ2-CG 4.26Å; W194-R198 HydrophobicContact CZ3-CB 3.75Å; W194-R198 HydrophobicContact CZ3-CG 3.78Å; W194-R198 WeakPolarHBondContact O-CB 3.27Å; W194-R198 PolarHBondContact O-N 3.26Å |
| 195 | F | 98.5 | Very high | 96.6 | Very high | 2 Ų | 2 | 76.7 Ų | 76.7 | 1% | 0.009 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.1 | -40.4 | 178.7 | -90.9 | -91.6 | 0 | 0 | 0 | 112.5 | L162 L165 F166 P172 L180 V191 E192 N197 R198 R199 | L162-F195 HydrophobicContact CD2-CD2 4.39Å; L162-F195 HydrophobicContact CD2-CE2 3.95Å; L165-F195 HydrophobicContact CB-CZ 4.2Å; L165-F195 HydrophobicContact CD2-CE2 4.22Å; L165-F195 HydrophobicContact CD2-CZ 3.82Å; L165-F195 HydrophobicContact CG-CZ 3.94Å; F166-F195 HydrophobicContact CB-CE1 3.97Å; F166-F195 HydrophobicContact CB-CZ 4.28Å; F166-F195 AromaticContact CD2-CD1 3.79Å; F166-F195 HydrophobicContact CD2-CD1 3.79Å; F166-F195 AromaticContact CD2-CE1 3.7Å; F166-F195 HydrophobicContact CD2-CE1 3.7Å; F166-F195 HydrophobicContact CE2-CD1 4.5Å; F166-F195 HydrophobicContact CG-CE1 4.34Å; P172-F195 VanDerWaalsContact CD-CD1 3.41Å; P172-F195 VanDerWaalsContact CD-CE1 3.45Å; P172-F195 HydrophobicContact CG-CD1 3.62Å; P172-F195 HydrophobicContact CG-CD2 4.17Å; P172-F195 HydrophobicContact CG-CE1 3.5Å; P172-F195 VanDerWaalsContact CG-CE1 3.5Å; P172-F195 HydrophobicContact CG-CE2 4.07Å; P172-F195 HydrophobicContact CG-CG 3.97Å; P172-F195 HydrophobicContact CG-CZ 3.76Å; L180-F195 HydrophobicContact CD2-CE2 4.34Å; V191-F195 HydrophobicContact CG1-CD2 3.75Å; V191-F195 HydrophobicContact CG1-CE2 3.82Å; V191-F195 WeakPolarHBondContact O-CD2 3.18Å; V191-F195 PolarHBondContact O-N 3.26Å; E192-F195 PolarHBondContact O-N 3.2Å; F195-N197 PolarHBondContact O-N 3.4Å; F195-R198 PolarHBondContact O-N 3.38Å; F195-R199 WeakPolarHBondContact O-CB 3.38Å; F195-R199 WeakPolarHBondContact O-CG 3.31Å; F195-R199 PolarHBondContact O-N 2.89Å |
| 196 | K | 98.1 | Very high | 95.8 | Very high | 97 Ų | 97 | 75.4 Ų | 75.4 | 42% | 0.422 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -57.3 | -47.4 | 172.2 | -75.8 | 171.4 | 176.8 | 167.6 | 0 | 111.3 | E192 W194 A200 | E192-K196 VanDerWaalsContact CD-CE 3.46Å; E192-K196 HydrophobicContact CG-CD 4.19Å; E192-K196 WeakPolarHBondContact O-CG 3.38Å; E192-K196 PolarHBondContact O-N 2.85Å; E192-K196 WeakPolarHBondContact OE1-CE 3.42Å; E192-K196 IonicContact OE1-NZ 2.65Å; E192-K196 PolarHBondContact OE1-NZ 2.8Å; E192-K196 IonicContact OE2-NZ 3.36Å; E192-K196 PolarHBondContact OE2-NZ 2.96Å; W194-K196 PolarHBondContact O-N 3.43Å; K196-A200 PolarHBondContact O-N 3.48Å; K196-A200 VanDerWaalsContact O-N 3.13Å |
| 197 | N | 97.8 | Very high | 94.9 | Very high | 103 Ų | 103 | 82.5 Ų | 82.5 | 55% | 0.551 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -68.5 | -40.4 | 178.5 | -74.1 | -36.6 | 0 | 0 | 0 | 112.8 | V193 W194 F195 A200 K201 | V193-N197 WeakPolarHBondContact O-CB 3.38Å; V193-N197 VanDerWaalsContact O-CG 3.3Å; V193-N197 PolarHBondContact O-N 3.08Å; V193-N197 PolarHBondContact O-ND2 2.83Å; W194-N197 CarbonylContact O-C 3.56Å; W194-N197 PolarHBondContact O-N 3.09Å; W194-N197 VanDerWaalsContact O-N 3.13Å; F195-N197 PolarHBondContact O-N 3.4Å; N197-A200 WeakPolarHBondContact O-CB 3.38Å; N197-A200 PolarHBondContact O-N 3.24Å; N197-A200 VanDerWaalsContact O-N 3.14Å; N197-K201 PolarHBondContact O-N 2.94Å |
| 198 | R | 97.9 | Very high | 93.6 | Very high | 47 Ų | 47 | 77.4 Ų | 77.4 | 18% | 0.177 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.4 | -45.6 | 179 | -172.5 | 66.7 | -178.9 | 108.8 | -5.8 | 111.5 | E163 F166 W194 F195 A200 K201 W202 | E163-R198 IonicContact OE1-CZ 3.47Å; E163-R198 IonicContact OE1-NE 3.32Å; E163-R198 PolarHBondContact OE1-NE 3.09Å; E163-R198 IonicContact OE1-NH2 2.81Å; E163-R198 PolarHBondContact OE1-NH2 3.29Å; E163-R198 IonicContact OE2-CZ 3.42Å; E163-R198 IonicContact OE2-NE 2.64Å; E163-R198 PolarHBondContact OE2-NE 3.32Å; E163-R198 IonicContact OE2-NH2 3.57Å; E163-R198 PolarHBondContact OE2-NH2 2.61Å; F166-R198 HydrophobicContact CD1-CG 3.77Å; F166-R198 HydrophobicContact CD2-CB 4.27Å; F166-R198 HydrophobicContact CD2-CG 3.7Å; F166-R198 HydrophobicContact CE1-CG 3.66Å; F166-R198 HydrophobicContact CE2-CB 4.07Å; F166-R198 HydrophobicContact CE2-CG 3.6Å; F166-R198 HydrophobicContact CG-CG 3.79Å; F166-R198 HydrophobicContact CZ-CB 4.38Å; F166-R198 HydrophobicContact CZ-CG 3.58Å; W194-R198 HydrophobicContact CD2-CB 4.42Å; W194-R198 HydrophobicContact CE3-CB 3.98Å; W194-R198 HydrophobicContact CH2-CB 3.99Å; W194-R198 HydrophobicContact CH2-CG 3.63Å; W194-R198 HydrophobicContact CZ2-CB 4.44Å; W194-R198 HydrophobicContact CZ2-CG 4.26Å; W194-R198 HydrophobicContact CZ3-CB 3.75Å; W194-R198 HydrophobicContact CZ3-CG 3.78Å; W194-R198 WeakPolarHBondContact O-CB 3.27Å; W194-R198 PolarHBondContact O-N 3.26Å; F195-R198 PolarHBondContact O-N 3.38Å; R198-A200 VanDerWaalsContact C-N 3.3Å; R198-A200 PolarHBondContact O-N 3.34Å; R198-K201 PolarHBondContact O-N 2.95Å; R198-W202 PolarHBondContact O-N 3.3Å |
| 199 | R | 97.8 | Very high | 91.8 | Very high | 43 Ų | 43 | 78.6 Ų | 78.6 | 16% | 0.162 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59.7 | -37.5 | 170.9 | -74 | -165.3 | -67.8 | -88.9 | 4.7 | 112.7 | F166 K170 Y171 F195 W202 R203 | F166-R199 HydrophobicContact CE2-CG 3.89Å; F166-R199 HydrophobicContact CZ-CG 4.43Å; K170-R199 VanDerWaalsContact O-CD 3.28Å; K170-R199 WeakPolarHBondContact O-CD 3.29Å; K170-R199 PolarHBondContact O-NH1 2.86Å; Y171-R199 VanDerWaalsContact CE1-NE 3.26Å; F195-R199 WeakPolarHBondContact O-CB 3.38Å; F195-R199 WeakPolarHBondContact O-CG 3.31Å; F195-R199 PolarHBondContact O-N 2.89Å; R199-W202 PolarHBondContact O-N 2.95Å; R199-R203 WeakPolarHBondContact O-CG 3.47Å; R199-R203 PolarHBondContact O-N 3.06Å |
| 200 | A | 97.4 | Very high | 89.9 | Confident | 15 Ų | 15 | 79.6 Ų | 79.6 | 12% | 0.124 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -67.8 | -36.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | K196 N197 R198 R204 | K196-A200 PolarHBondContact O-N 3.48Å; K196-A200 VanDerWaalsContact O-N 3.13Å; N197-A200 WeakPolarHBondContact O-CB 3.38Å; N197-A200 PolarHBondContact O-N 3.24Å; N197-A200 VanDerWaalsContact O-N 3.14Å; R198-A200 VanDerWaalsContact C-N 3.3Å; R198-A200 PolarHBondContact O-N 3.34Å; A200-R204 WeakPolarHBondContact O-CG 3.36Å; A200-R204 PolarHBondContact O-N 3.37Å; A200-R204 PolarHBondContact O-NH1 2.93Å |
| 201 | K | 95.7 | Very high | 87.9 | Confident | 118 Ų | 118 | 83.4 Ų | 83.4 | 51% | 0.513 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.5 | -48 | 171.2 | -174.8 | 179 | 177.7 | -176.3 | 0 | 111 | N197 R198 R203 R204 Q205 | N197-K201 PolarHBondContact O-N 2.94Å; R198-K201 PolarHBondContact O-N 2.95Å; K201-R203 PolarHBondContact O-N 2.75Å; K201-R204 WeakPolarHBondContact O-CB 3.5Å; K201-R204 PolarHBondContact O-N 3.07Å; K201-Q205 PolarHBondContact O-N 3.05Å |
| 202 | W | 94.9 | Very high | 85.6 | Confident | 106 Ų | 106 | 88.3 Ų | 88.3 | 40% | 0.402 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -57.4 | -45.7 | 179.2 | 178.6 | 78.7 | 0 | 0 | 0 | 112.7 | F166 R198 R199 R204 Q205 K206 | F166-W202 HydrophobicContact CZ-CB 4.36Å; R198-W202 PolarHBondContact O-N 3.3Å; R199-W202 PolarHBondContact O-N 2.95Å; W202-R204 VanDerWaalsContact C-N 3.29Å; W202-R204 PolarHBondContact O-N 3.43Å; W202-Q205 PolarHBondContact O-N 3.11Å; W202-K206 PolarHBondContact O-N 2.93Å; W202-K206 VanDerWaalsContact O-N 3.1Å |
| 203 | R | 95.2 | Very high | 83.3 | Confident | 141 Ų | 141 | 89.6 Ų | 89.6 | 53% | 0.532 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -64.6 | -27.2 | 175.3 | -73.7 | -174.4 | -68.2 | 104.8 | -5.1 | 114.3 | R199 K201 | R199-R203 WeakPolarHBondContact O-CG 3.47Å; R199-R203 PolarHBondContact O-N 3.06Å; K201-R203 PolarHBondContact O-N 2.75Å |
| 204 | R | 91.9 | Very high | 81.1 | Confident | 178 Ų | 178 | 94.2 Ų | 94.2 | 67% | 0.672 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -75.5 | -44.8 | 174.3 | -73 | 176.9 | -176.1 | 112.5 | -6.6 | 111.1 | A200 K201 W202 K206 R207 S208 | A200-R204 WeakPolarHBondContact O-CG 3.36Å; A200-R204 PolarHBondContact O-N 3.37Å; A200-R204 PolarHBondContact O-NH1 2.93Å; K201-R204 WeakPolarHBondContact O-CB 3.5Å; K201-R204 PolarHBondContact O-N 3.07Å; W202-R204 VanDerWaalsContact C-N 3.29Å; W202-R204 PolarHBondContact O-N 3.43Å; R204-K206 VanDerWaalsContact C-N 3.31Å; R204-K206 PolarHBondContact O-N 3.45Å; R204-R207 WeakPolarHBondContact O-CA 3.28Å; R204-R207 VanDerWaalsContact O-CB 3.3Å; R204-R207 WeakPolarHBondContact O-CB 3.43Å; R204-R207 PolarHBondContact O-N 3.4Å; R204-S208 PolarHBondContact O-N 2.97Å |
| 205 | Q | 89.3 | Confident | 78.5 | Confident | 92 Ų | 92 | 98.3 Ų | 98.3 | 43% | 0.43 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -59.2 | -40.2 | 177.6 | -70 | 176.1 | -54.9 | 0 | 0 | 112 | K201 W202 R207 S208 S209 | K201-Q205 PolarHBondContact O-N 3.05Å; W202-Q205 PolarHBondContact O-N 3.11Å; Q205-R207 PolarHBondContact O-N 3.35Å; Q205-S208 PolarHBondContact O-N 3.17Å; Q205-S208 PolarHBondContact O-OG 3.25Å; Q205-S209 WeakPolarHBondContact O-CB 3.43Å; Q205-S209 PolarHBondContact O-N 2.86Å; Q205-S209 PolarHBondContact O-OG 2.99Å |
| 206 | K | 81.2 | Confident | 76.1 | Confident | 143 Ų | 143 | 100.6 Ų | 100.6 | 62% | 0.622 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -70.2 | -11.8 | 174.9 | -158.8 | 177.7 | -179.7 | -178.4 | 0 | 114.1 | W202 R204 S209 | W202-K206 PolarHBondContact O-N 2.93Å; W202-K206 VanDerWaalsContact O-N 3.1Å; R204-K206 VanDerWaalsContact C-N 3.31Å; R204-K206 PolarHBondContact O-N 3.45Å; K206-S209 PolarHBondContact O-OG 3.27Å |
| 207 | R | 77.9 | Confident | 73.8 | Confident | 180 Ų | 180 | 103 Ų | 103 | 68% | 0.679 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -90.5 | -49.8 | 173.7 | -141.9 | 78.9 | 160.9 | -82.7 | -0.9 | 109.8 | R204 Q205 S209 S210 | R204-R207 WeakPolarHBondContact O-CA 3.28Å; R204-R207 VanDerWaalsContact O-CB 3.3Å; R204-R207 WeakPolarHBondContact O-CB 3.43Å; R204-R207 PolarHBondContact O-N 3.4Å; Q205-R207 PolarHBondContact O-N 3.35Å; R207-S209 VanDerWaalsContact C-N 3.28Å; R207-S209 PolarHBondContact O-N 3.05Å; R207-S210 PolarHBondContact O-N 3.18Å; R207-S210 VanDerWaalsContact O-N 3.14Å |
| 208 | S | 69.3 | Low | 71.3 | Confident | 42 Ų | 42 | 106.1 Ų | 106.1 | 29% | 0.294 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64 | -31.8 | 179.1 | 69.6 | 0 | 0 | 0 | 0 | 112.3 | R204 Q205 S210 E211 E212 | R204-S208 PolarHBondContact O-N 2.97Å; Q205-S208 PolarHBondContact O-N 3.17Å; Q205-S208 PolarHBondContact O-OG 3.25Å; S208-S210 PolarHBondContact O-N 3.03Å; S208-E211 CarbonylContact O-C 3.59Å; S208-E211 PolarHBondContact O-N 3.33Å; S208-E212 WeakPolarHBondContact O-CB 3.47Å; S208-E212 PolarHBondContact O-N 3.17Å; S208-E212 PolarHBondContact OG-OE2 3.5Å |
| 209 | S | 59.6 | Low | 68.6 | Low | 75 Ų | 75 | 113.8 Ų | 113.8 | 52% | 0.524 | 53% | 0.533 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -13.8 | 175 | 59.8 | 0 | 0 | 0 | 0 | 115.2 | Q205 K206 R207 | Q205-S209 WeakPolarHBondContact O-CB 3.43Å; Q205-S209 PolarHBondContact O-N 2.86Å; Q205-S209 PolarHBondContact O-OG 2.99Å; K206-S209 PolarHBondContact O-OG 3.27Å; R207-S209 VanDerWaalsContact C-N 3.28Å; R207-S209 PolarHBondContact O-N 3.05Å |
| 210 | S | 57.2 | Low | 66.2 | Low | 93 Ų | 93 | 116.7 Ų | 116.7 | 65% | 0.65 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | -11.8 | 172.6 | -62.8 | 0 | 0 | 0 | 0 | 113.9 | R207 S208 | R207-S210 PolarHBondContact O-N 3.18Å; R207-S210 VanDerWaalsContact O-N 3.14Å; S208-S210 PolarHBondContact O-N 3.03Å |
| 211 | E | 54.7 | Low | 63.7 | Low | 126 Ų | 126 | 124.5 Ų | 124.5 | 59% | 0.589 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.2 | -23.1 | -177.6 | -64.1 | 164.3 | -174.9 | 0 | 0 | 111.5 | S208 S213 E214 | S208-E211 CarbonylContact O-C 3.59Å; S208-E211 PolarHBondContact O-N 3.33Å; E211-S213 PolarHBondContact O-N 2.91Å; E211-E214 PolarHBondContact O-N 2.79Å |
| 212 | E | 50.4 | Low | 61.4 | Low | 103 Ų | 103 | 124.1 Ų | 124.1 | 48% | 0.481 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -77.6 | -20.7 | -172.6 | -166.1 | 147.8 | -159.3 | 0 | 0 | 112.8 | S208 E214 N215 S216 | S208-E212 WeakPolarHBondContact O-CB 3.47Å; S208-E212 PolarHBondContact O-N 3.17Å; S208-E212 PolarHBondContact OG-OE2 3.5Å; E212-E214 PolarHBondContact O-N 3.29Å; E212-N215 PolarHBondContact O-N 3.09Å; E212-S216 PolarHBondContact O-N 2.8Å; E212-S216 VanDerWaalsContact O-N 3.09Å; E212-S216 PolarHBondContact O-OG 3.04Å; E212-S216 VanDerWaalsContact O-OG 3.11Å |
| 213 | S | 50.1 | Low | 59.4 | Low | 87 Ų | 87 | 124.3 Ų | 124.3 | 61% | 0.608 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -59.3 | -27.2 | 170 | 35 | 0 | 0 | 0 | 0 | 113.9 | E211 | E211-S213 PolarHBondContact O-N 2.91Å |
| 214 | E | 49.9 | Very low | 57.4 | Low | 160 Ų | 160 | 126.4 Ų | 126.4 | 75% | 0.748 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -93.7 | -34.7 | 176.2 | -62.9 | -172.7 | 154 | 0 | 0 | 112.5 | E211 E212 | E211-E214 PolarHBondContact O-N 2.79Å; E212-E214 PolarHBondContact O-N 3.29Å |
| 215 | N | 43.8 | Very low | 55.1 | Low | 113 Ų | 113 | 125.7 Ų | 125.7 | 60% | 0.604 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -81.4 | -34.1 | -172.8 | -163.8 | 35.8 | 0 | 0 | 0 | 113.7 | E212 Q217 K218 | E212-N215 PolarHBondContact O-N 3.09Å; N215-Q217 PolarHBondContact O-N 3.36Å; N215-K218 PolarHBondContact O-N 3.18Å; N215-K218 VanDerWaalsContact O-N 3.09Å |
| 216 | S | 47.4 | Very low | 53 | Low | 51 Ų | 51 | 127 Ų | 127 | 36% | 0.357 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -64.1 | -26.8 | -178.6 | -61 | 0 | 0 | 0 | 0 | 113.6 | E212 K218 N220 | E212-S216 PolarHBondContact O-N 2.8Å; E212-S216 VanDerWaalsContact O-N 3.09Å; E212-S216 PolarHBondContact O-OG 3.04Å; E212-S216 VanDerWaalsContact O-OG 3.11Å; S216-K218 VanDerWaalsContact C-N 3.29Å; S216-K218 PolarHBondContact O-N 3.17Å; S216-N220 VanDerWaalsContact O-CG 3.23Å; S216-N220 PolarHBondContact O-N 2.88Å; S216-N220 PolarHBondContact O-ND2 3.12Å |
| 217 | Q | 51 | Low | 51.1 | Low | 147 Ų | 147 | 126.9 Ų | 126.9 | 69% | 0.687 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -67.8 | -29.1 | 175.5 | -67.7 | -171.4 | -47.7 | 0 | 0 | 112.8 | N215 K221 | N215-Q217 PolarHBondContact O-N 3.36Å; Q217-K221 WeakPolarHBondContact O-CB 3.44Å; Q217-K221 PolarHBondContact O-N 3.32Å |
| 218 | K | 44.5 | Very low | 49.2 | Very low | 169 Ų | 169 | 127.6 Ų | 127.6 | 74% | 0.735 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -77.7 | -37.1 | -173.5 | -150.4 | 169 | -175.6 | 174.2 | 0 | 112.4 | N215 S216 | N215-K218 PolarHBondContact O-N 3.18Å; N215-K218 VanDerWaalsContact O-N 3.09Å; S216-K218 VanDerWaalsContact C-N 3.29Å; S216-K218 PolarHBondContact O-N 3.17Å |
| 219 | W | 41.7 | Very low | 47.7 | Very low | 208 Ų | 208 | 134.3 Ų | 134.3 | 79% | 0.788 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -68.6 | -46.9 | 173 | -171.3 | -97.6 | 0 | 0 | 0 | 111.6 | K221 S222 T223 | W219-K221 VanDerWaalsContact C-N 3.27Å; W219-K221 PolarHBondContact O-N 3.17Å; W219-S222 PolarHBondContact O-N 3.31Å; W219-T223 PolarHBondContact O-OG1 3.11Å |
| 220 | N | 47.6 | Very low | 46.5 | Very low | 103 Ų | 103 | 136.9 Ų | 136.9 | 55% | 0.551 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -70.2 | -19.2 | -174.6 | -65.7 | -11.7 | 0 | 0 | 0 | 114.2 | S216 | S216-N220 VanDerWaalsContact O-CG 3.23Å; S216-N220 PolarHBondContact O-N 2.88Å; S216-N220 PolarHBondContact O-ND2 3.12Å |
| 221 | K | 43.8 | Very low | 45.6 | Very low | 180 Ų | 180 | 141 Ų | 141 | 78% | 0.783 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -19.6 | 176.4 | -166.1 | 164.1 | -175.2 | 172.7 | 0 | 113.1 | Q217 W219 T223 | Q217-K221 WeakPolarHBondContact O-CB 3.44Å; Q217-K221 PolarHBondContact O-N 3.32Å; W219-K221 VanDerWaalsContact C-N 3.27Å; W219-K221 PolarHBondContact O-N 3.17Å; K221-T223 VanDerWaalsContact C-N 3.34Å |
| 222 | S | 48.5 | Very low | 45 | Very low | 109 Ų | 109 | 143.2 Ų | 143.2 | 76% | 0.762 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -2.8 | -178.2 | -154.3 | 0 | 0 | 0 | 0 | 114.1 | W219 | W219-S222 PolarHBondContact O-N 3.31Š|
| 223 | T | 52.8 | Low | 44.4 | Very low | 110 Ų | 110 | 144.6 Ų | 144.6 | 68% | 0.675 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111 | 9.3 | -174.8 | -1.7 | 0 | 0 | 0 | 0 | 114.3 | W219 K221 | W219-T223 PolarHBondContact O-OG1 3.11Å; K221-T223 VanDerWaalsContact C-N 3.34Å |
| 224 | K | 52.1 | Low | 44.2 | Very low | 185 Ų | 185 | 148.1 Ų | 148.1 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | trans | -130.2 | 94.7 | -179.7 | -67.9 | -170.2 | 178.2 | -174 | 0 | 112 | ||||
| 225 | I | 44.8 | Very low | 43.9 | Very low | 164 Ų | 164 | 145.8 Ų | 145.8 | 84% | 0.841 | 75% | 0.751 | S | S | * | * | trans | -123.1 | 145.1 | 160.4 | -73.7 | -179 | 0 | 0 | 0 | 106.8 | ||||
| 226 | P | 44 | Very low | 44.2 | Very low | 119 Ų | 119 | 146.4 Ų | 146.4 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | trans | -84.4 | 161.9 | -142.7 | -17.7 | 33.8 | 0 | 0 | 0 | 117.5 | ||||
| 227 | T | 42.6 | Very low | 44.7 | Very low | 140 Ų | 140 | 150.1 Ų | 150.1 | 86% | 0.859 | 77% | 0.774 | S | S | * | * | trans | -66.3 | 136.9 | 162 | 48.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 228 | E | 37.6 | Very low | 44.5 | Very low | 195 Ų | 195 | 150.1 Ų | 150.1 | 91% | 0.911 | 78% | 0.779 | S | S | * | * | trans | -118.1 | 155.9 | 163.2 | -162.7 | 161.6 | -141.7 | 0 | 0 | 109.9 | ||||
| 229 | K | 37.9 | Very low | 45.2 | Very low | 183 Ų | 183 | 147.4 Ų | 147.4 | 80% | 0.796 | 78% | 0.781 | S | S | * | * | trans | -114.2 | 172.8 | -164.5 | -67.8 | 177.6 | 174.8 | 179.4 | 0 | 113.2 | ||||
| 230 | T | 33.6 | Very low | 45.8 | Very low | 130 Ų | 130 | 144.6 Ų | 144.6 | 80% | 0.798 | 78% | 0.782 | S | S | * | * | trans | 71.7 | 149.2 | 154.5 | 19.8 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 231 | E | 39 | Very low | 46 | Very low | 178 Ų | 178 | 148.5 Ų | 148.5 | 83% | 0.832 | 82% | 0.817 | S | S | * | * | cis | -119.3 | 152.3 | -2.2 | -58.6 | -178.7 | 130.8 | 0 | 0 | 108.8 | ||||
| 232 | E | 41.3 | Very low | 46.1 | Very low | 174 Ų | 174 | 147 Ų | 147 | 81% | 0.813 | 82% | 0.819 | S | S | * | * | 45.1 | 101.3 | 72.1 | -162.4 | 164.7 | -171.4 | 0 | 0 | 116.6 | |||||
| 233 | S | 39.4 | Very low | 46 | Very low | 131 Ų | 131 | 148.9 Ų | 148.9 | 92% | 0.916 | 82% | 0.822 | S | S | * | * | trans | -155.7 | 137.3 | 152.7 | -85 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 234 | K | 46 | Very low | 45.6 | Very low | 161 Ų | 161 | 151.1 Ų | 151.1 | 70% | 0.7 | 83% | 0.83 | S | S | * | * | trans | -122.6 | 135.2 | -161.4 | 166.3 | -175 | 174.4 | 65.7 | 0 | 110 | D236 | K234-D236 WeakPolarHBondContact CE-OD2 3.49Å; K234-D236 IonicContact NZ-OD1 3.8Å; K234-D236 IonicContact NZ-OD2 2.61Å; K234-D236 PolarHBondContact NZ-OD2 3.47Å | ||
| 235 | S | 43.4 | Very low | 45.2 | Very low | 112 Ų | 112 | 149.1 Ų | 149.1 | 78% | 0.783 | 83% | 0.832 | S | S | * | * | trans | -157.4 | 101.3 | 154.4 | 59.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 236 | D | 49.9 | Very low | 45.2 | Very low | 125 Ų | 125 | 148.2 Ų | 148.2 | 67% | 0.668 | 83% | 0.831 | S | S | * | * | trans | -67.4 | 160.3 | 171.3 | -50.2 | -97.4 | 0 | 0 | 0 | 111 | K234 | K234-D236 WeakPolarHBondContact CE-OD2 3.49Å; K234-D236 IonicContact NZ-OD1 3.8Å; K234-D236 IonicContact NZ-OD2 2.61Å; K234-D236 PolarHBondContact NZ-OD2 3.47Å | ||
| 237 | V | 56.3 | Low | 45.3 | Very low | 129 Ų | 129 | 150.1 Ų | 150.1 | 78% | 0.782 | 84% | 0.835 | S | S | * | * | trans | -126 | 153.9 | 175.8 | -160.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 238 | D | 47.3 | Very low | 45.5 | Very low | 147 Ų | 147 | 150.9 Ų | 150.9 | 79% | 0.786 | 83% | 0.833 | S | S | * | * | trans | 86.1 | 107.9 | 173.3 | -84.5 | -76.5 | 0 | 0 | 0 | 119.9 | ||||
| 239 | S | 60.4 | Low | 46.1 | Very low | 113 Ų | 113 | 147.5 Ų | 147.5 | 79% | 0.79 | 83% | 0.827 | S | S | * | * | trans | -34 | 146 | 147.1 | -43.8 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 240 | D | 53.6 | Low | 46.8 | Very low | 148 Ų | 148 | 144.5 Ų | 144.5 | 79% | 0.791 | 83% | 0.83 | S | S | * | * | -155.6 | 143.8 | 122.5 | -152.3 | -20.6 | 0 | 0 | 0 | 110.9 | |||||
| 241 | S | 51.7 | Low | 48 | Very low | 186 Ų | 186 | 145.8 Ų | 145.8 | 100% | 1.301 | 83% | 0.833 | S | S | * | * | trans | 43.9 | 0 | 160.8 | -63.4 | 0 | 0 | 0 | 0 | 120.6 |
Retrieved 241 of 241 residues in 451.1 ms
(Link to these results)