| 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 | 41.8 | Very low | 44.4 | Very low | 234 Ų | 234 | 152.9 Ų | 152.9 | 100% | 1.153 | 83% | 0.83 | S | S | * | * | 0 | 119.7 | 0 | -67.5 | 173.4 | 79.1 | 0 | 0 | 106.5 | |||||
| 2 | P | 43.3 | Very low | 44.8 | Very low | 135 Ų | 135 | 154.5 Ų | 154.5 | 88% | 0.877 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 135.8 | 172.2 | 20.7 | -11.1 | 0 | 0 | 0 | 108.7 | ||
| 3 | A | 42.5 | Very low | 45.4 | Very low | 85 Ų | 85 | 151.7 Ų | 151.7 | 70% | 0.702 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 150 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V5 | A3-V5 PolarHBondContact O-N 3.31Š|
| 4 | P | 41.1 | Very low | 45.1 | Very low | 120 Ų | 120 | 150.9 Ų | 150.9 | 78% | 0.779 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 129.6 | 173.8 | 27.1 | -31.6 | 0 | 0 | 0 | 109.8 | E6 | P4-E6 PolarHBondContact O-N 2.87Š|
| 5 | V | 53 | Low | 45.5 | Very low | 129 Ų | 129 | 150.5 Ų | 150.5 | 78% | 0.782 | 82% | 0.818 | S | S | * | * | trans | -73.5 | 111.4 | 167.9 | 174.4 | 0 | 0 | 0 | 0 | 106.6 | A3 L7 | A3-V5 PolarHBondContact O-N 3.31Å; V5-L7 PolarHBondContact O-N 2.82Å; V5-L7 VanDerWaalsContact O-N 3.16Å | ||
| 6 | E | 44.3 | Very low | 45.8 | Very low | 183 Ų | 183 | 147.2 Ų | 147.2 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | trans | -67.5 | 107.1 | 167.3 | -65.7 | -161.9 | 103.1 | 0 | 0 | 107.6 | P4 E8 | P4-E6 PolarHBondContact O-N 2.87Å; E6-E8 PolarHBondContact O-N 3.33Å | ||
| 7 | L | 49.6 | Very low | 46.3 | Very low | 158 Ų | 158 | 143.4 Ų | 143.4 | 83% | 0.827 | 79% | 0.785 | S | S | * | * | trans | -73.7 | 107.5 | 165.5 | -86 | 153.6 | 0 | 0 | 0 | 106.4 | V5 Q9 | V5-L7 PolarHBondContact O-N 2.82Å; V5-L7 VanDerWaalsContact O-N 3.16Å; L7-Q9 PolarHBondContact O-N 3.09Å | ||
| 8 | E | 45.1 | Very low | 46.9 | Very low | 187 Ų | 187 | 140.7 Ų | 140.7 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | trans | -52.1 | 113.3 | 166 | -65.6 | -178.2 | 95.1 | 0 | 0 | 107.6 | E6 D10 | E6-E8 PolarHBondContact O-N 3.33Å; E8-D10 PolarHBondContact O-N 3.08Å; E8-D10 VanDerWaalsContact O-N 3.09Å | ||
| 9 | Q | 45.7 | Very low | 47 | Very low | 192 Ų | 192 | 140.7 Ų | 140.7 | 90% | 0.897 | 78% | 0.777 | S | S | * | * | trans | -68.3 | 103.2 | 168.3 | -84.4 | 179.7 | -27.8 | 0 | 0 | 106.6 | L7 D11 | L7-Q9 PolarHBondContact O-N 3.09Å; Q9-D11 PolarHBondContact O-N 2.95Å; Q9-D11 VanDerWaalsContact O-N 3.1Å | ||
| 10 | D | 42.2 | Very low | 46.9 | Very low | 146 Ų | 146 | 145.5 Ų | 145.5 | 78% | 0.781 | 78% | 0.783 | S | S | * | * | trans | -56.9 | 114 | 165.8 | -126.1 | -79.3 | 0 | 0 | 0 | 107.9 | E8 L12 | E8-D10 PolarHBondContact O-N 3.08Å; E8-D10 VanDerWaalsContact O-N 3.09Å; D10-L12 PolarHBondContact O-N 3.01Å | ||
| 11 | D | 39.4 | Very low | 46.9 | Very low | 113 Ų | 113 | 144.6 Ų | 144.6 | 60% | 0.604 | 78% | 0.782 | S | S | * | * | trans | -67.1 | 92.7 | 179.7 | -164.5 | -84.4 | 0 | 0 | 0 | 108 | Q9 T13 | Q9-D11 PolarHBondContact O-N 2.95Å; Q9-D11 VanDerWaalsContact O-N 3.1Å; D11-T13 PolarHBondContact O-N 2.92Å; D11-T13 PolarHBondContact OD1-OG1 3.24Å | ||
| 12 | L | 49.5 | Very low | 46.7 | Very low | 172 Ų | 172 | 140.9 Ų | 140.9 | 90% | 0.901 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | 20.2 | -179.8 | -103.2 | 133.3 | 0 | 0 | 0 | 114.2 | D10 | D10-L12 PolarHBondContact O-N 3.01Š|
| 13 | T | 52.3 | Low | 46.7 | Very low | 118 Ų | 118 | 139.6 Ų | 139.6 | 72% | 0.724 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.7 | 7.9 | -176.8 | 22.3 | 0 | 0 | 0 | 0 | 114.9 | D11 | D11-T13 PolarHBondContact O-N 2.92Å; D11-T13 PolarHBondContact OD1-OG1 3.24Å |
| 14 | N | 41.9 | Very low | 46.6 | Very low | 141 Ų | 141 | 142.8 Ų | 142.8 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | trans | -124.9 | 90.4 | 172.1 | -118.6 | -48.4 | 0 | 0 | 0 | 111.7 | D16 | N14-D16 VanDerWaalsContact C-N 3.26Å; N14-D16 PolarHBondContact O-N 3.06Å | ||
| 15 | L | 51.4 | Low | 46.7 | Very low | 144 Ų | 144 | 141.9 Ų | 141.9 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | trans | -76.2 | 80.6 | 171.3 | -153.8 | 90.5 | 0 | 0 | 0 | 108.9 | C17 | L15-C17 PolarHBondContact O-N 2.93Å; L15-C17 VanDerWaalsContact O-N 3.14Å | ||
| 16 | D | 49.8 | Very low | 46.2 | Very low | 98 Ų | 98 | 144.6 Ų | 144.6 | 52% | 0.524 | 78% | 0.775 | S | S | . | * | trans | -72.6 | 100.3 | 171.9 | -177.2 | -106.1 | 0 | 0 | 0 | 109 | N14 S18 | N14-D16 VanDerWaalsContact C-N 3.26Å; N14-D16 PolarHBondContact O-N 3.06Å; D16-S18 PolarHBondContact O-N 3.43Å; D16-S18 WeakPolarHBondContact OD1-CB 3.44Å; D16-S18 PolarHBondContact OD1-N 3.32Å; D16-S18 PolarHBondContact OD1-OG 3.24Å; D16-S18 PolarHBondContact OD2-OG 2.84Å | ||
| 17 | C | 54.8 | Low | 46.3 | Very low | 83 Ų | 83 | 142.3 Ų | 142.3 | 56% | 0.561 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | 6.7 | 176.1 | -45.9 | 0 | 0 | 0 | 0 | 112.1 | L15 C33 | L15-C17 PolarHBondContact O-N 2.93Å; L15-C17 VanDerWaalsContact O-N 3.14Å; C17-C33 HydrophobicContact CB-CB 4.34Å; C17-C33 WeakPolarHBondContact CB-SG 3.47Å; C17-C33 WeakPolarHBondContact SG-CB 3.26Å; C17-C33 CovalentContact SG-SG 2.09Å; C17-C33 PolarHBondContact SG-SG 3.49Å |
| 18 | S | 56.9 | Low | 45.8 | Very low | 94 Ų | 94 | 140.6 Ų | 140.6 | 66% | 0.657 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | -5.8 | -167.4 | -45.7 | 0 | 0 | 0 | 0 | 115.7 | D16 | D16-S18 PolarHBondContact O-N 3.43Å; D16-S18 WeakPolarHBondContact OD1-CB 3.44Å; D16-S18 PolarHBondContact OD1-N 3.32Å; D16-S18 PolarHBondContact OD1-OG 3.24Å; D16-S18 PolarHBondContact OD2-OG 2.84Å |
| 19 | N | 48.2 | Very low | 45.8 | Very low | 141 Ų | 141 | 139.4 Ų | 139.4 | 75% | 0.754 | 76% | 0.763 | S | S | * | * | trans | -117.9 | 13.2 | -168.4 | -102 | -19.4 | 0 | 0 | 0 | 117.3 | V21 | N19-V21 PolarHBondContact O-N 3.48Å; N19-V21 VanDerWaalsContact O-N 3.15Å | ||
| 20 | R | 44.3 | Very low | 45.7 | Very low | 236 Ų | 236 | 136 Ų | 136 | 89% | 0.891 | 76% | 0.755 | S | S | * | * | trans | -86.7 | 94.9 | 179.6 | -127.5 | 176.9 | 177.5 | 173.5 | -1.7 | 112.4 | N22 | R20-N22 PolarHBondContact O-N 3.39Š| ||
| 21 | V | 47.3 | Very low | 45.9 | Very low | 127 Ų | 127 | 133.4 Ų | 133.4 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | trans | -51.4 | 128.8 | 171.8 | -169.3 | 0 | 0 | 0 | 0 | 110.9 | N19 S23 | N19-V21 PolarHBondContact O-N 3.48Å; N19-V21 VanDerWaalsContact O-N 3.15Å; V21-S23 PolarHBondContact O-N 2.83Å | ||
| 22 | N | 38 | Very low | 46.3 | Very low | 157 Ų | 157 | 137.3 Ų | 137.3 | 84% | 0.84 | 77% | 0.769 | S | S | * | * | trans | -29.7 | 105.7 | 172.8 | -82.1 | -18.2 | 0 | 0 | 0 | 113.3 | R20 | R20-N22 PolarHBondContact O-N 3.39Š| ||
| 23 | S | 44 | Very low | 46.5 | Very low | 107 Ų | 107 | 131.8 Ų | 131.8 | 75% | 0.748 | 74% | 0.744 | S | S | * | * | trans | -127.3 | 110 | 157.5 | -69.4 | 0 | 0 | 0 | 0 | 107.6 | V21 S25 | V21-S23 PolarHBondContact O-N 2.83Å; S23-S25 PolarHBondContact O-N 3.33Å | ||
| 24 | T | 40.5 | Very low | 46.3 | Very low | 152 Ų | 152 | 136.6 Ų | 136.6 | 93% | 0.933 | 75% | 0.751 | S | S | * | * | trans | -59.7 | 94.8 | 178.7 | -48.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 25 | S | 42.9 | Very low | 46.2 | Very low | 101 Ų | 101 | 135.3 Ų | 135.3 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | trans | -157.4 | 101.3 | 156.7 | 52.4 | 0 | 0 | 0 | 0 | 107.6 | S23 N27 | S23-S25 PolarHBondContact O-N 3.33Å; S25-N27 PolarHBondContact O-N 3.3Å | ||
| 26 | M | 42.3 | Very low | 46.2 | Very low | 186 Ų | 186 | 133.4 Ų | 133.4 | 92% | 0.916 | 75% | 0.751 | S | S | * | * | trans | -51.5 | 116.5 | 163.8 | -72.1 | 172.5 | -176.4 | 0 | 0 | 108.2 | ||||
| 27 | N | 45.7 | Very low | 45.9 | Very low | 135 Ų | 135 | 137.2 Ų | 137.2 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | trans | -168.3 | 126.7 | 132.1 | -90.8 | -9.1 | 0 | 0 | 0 | 107.8 | S25 E29 | S25-N27 PolarHBondContact O-N 3.3Å; N27-E29 PolarHBondContact O-N 2.97Å | ||
| 28 | C | 39.7 | Very low | 45.4 | Very low | 123 Ų | 123 | 139.1 Ų | 139.1 | 83% | 0.831 | 78% | 0.779 | S | S | * | * | trans | -67.8 | 78.8 | 177.9 | -73.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 29 | E | 44.4 | Very low | 44.8 | Very low | 161 Ų | 161 | 139.6 Ų | 139.6 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | trans | -134.3 | 83.4 | 171.3 | -82.5 | -175.4 | 89.3 | 0 | 0 | 109.5 | N27 | N27-E29 PolarHBondContact O-N 2.97Š| ||
| 30 | T | 44.7 | Very low | 44.5 | Very low | 120 Ų | 120 | 138.6 Ų | 138.6 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | trans | -169.5 | 125.8 | 130.1 | 8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 31 | A | 45.4 | Very low | 44.5 | Very low | 92 Ų | 92 | 132.1 Ų | 132.1 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.3 | 146.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 32 | E | 48.8 | Very low | 44.3 | Very low | 195 Ų | 195 | 133 Ų | 133 | 91% | 0.911 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 99 | -10.9 | 160.5 | -47.1 | -171 | 131.1 | 0 | 0 | 120.1 | ||
| 33 | C | 53.6 | Low | 44.7 | Very low | 57 Ų | 57 | 131 Ų | 131 | 39% | 0.385 | 79% | 0.787 | S | S | . | * | S | Bend | trans | -102 | -3.1 | 170.3 | -88.5 | 0 | 0 | 0 | 0 | 115.4 | C17 | C17-C33 HydrophobicContact CB-CB 4.34Å; C17-C33 WeakPolarHBondContact CB-SG 3.47Å; C17-C33 WeakPolarHBondContact SG-CB 3.26Å; C17-C33 CovalentContact SG-SG 2.09Å; C17-C33 PolarHBondContact SG-SG 3.49Å |
| 34 | Y | 47.9 | Very low | 44.8 | Very low | 219 Ų | 219 | 130.8 Ų | 130.8 | 86% | 0.859 | 79% | 0.792 | S | S | * | * | trans | -113.9 | 97.2 | -176.4 | -83 | -88.4 | 0 | 0 | 0 | 112.8 | ||||
| 35 | S | 40.2 | Very low | 45 | Very low | 113 Ų | 113 | 127.2 Ų | 127.2 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | trans | -95.8 | 136.4 | 154 | -72.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 36 | S | 51.5 | Low | 45.7 | Very low | 105 Ų | 105 | 127.4 Ų | 127.4 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | S | Bend | trans | 100.5 | 96.9 | 172.2 | -37.8 | 0 | 0 | 0 | 0 | 115.5 | ||
| 37 | E | 42.3 | Very low | 46.1 | Very low | 177 Ų | 177 | 124.8 Ų | 124.8 | 83% | 0.827 | 78% | 0.777 | S | S | * | * | trans | 62.6 | 72.6 | 141.5 | -50.8 | -173.2 | 107.2 | 0 | 0 | 117.7 | S39 | E37-S39 VanDerWaalsContact C-N 3.34Å; E37-S39 PolarHBondContact O-N 3.41Å | ||
| 38 | C | 45.4 | Very low | 46.5 | Very low | 123 Ų | 123 | 125.1 Ų | 125.1 | 83% | 0.831 | 77% | 0.774 | S | S | * | * | trans | -73.9 | 90.5 | 157.2 | -160.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 39 | S | 43.6 | Very low | 47 | Very low | 104 Ų | 104 | 128.9 Ų | 128.9 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | -91.6 | 127.6 | 176.4 | -78.4 | 0 | 0 | 0 | 0 | 111.4 | E37 | E37-S39 VanDerWaalsContact C-N 3.34Å; E37-S39 PolarHBondContact O-N 3.41Å | ||
| 40 | S | 42.1 | Very low | 47.5 | Very low | 120 Ų | 120 | 127.7 Ų | 127.7 | 84% | 0.839 | 77% | 0.774 | S | S | * | * | trans | -55 | 139.3 | -172.7 | -57.3 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 41 | A | 43.8 | Very low | 47.9 | Very low | 100 Ų | 100 | 127.1 Ų | 127.1 | 83% | 0.826 | 78% | 0.775 | S | S | * | * | trans | -130.1 | 109.5 | 149.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | S43 | A41-S43 PolarHBondContact O-N 3.1Š| ||
| 42 | T | 43.4 | Very low | 48.5 | Very low | 147 Ų | 147 | 127.3 Ų | 127.3 | 90% | 0.902 | 77% | 0.771 | S | S | * | * | trans | -56.2 | 123.7 | 175 | -54.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 43 | S | 46.8 | Very low | 48.5 | Very low | 113 Ų | 113 | 120.5 Ų | 120.5 | 79% | 0.79 | 75% | 0.753 | S | S | * | * | trans | -144.2 | 131.9 | 162.4 | -151.6 | 0 | 0 | 0 | 0 | 108.2 | A41 A45 | A41-S43 PolarHBondContact O-N 3.1Å; S43-A45 PolarHBondContact O-N 3.42Å; S43-A45 VanDerWaalsContact O-N 3.08Å | ||
| 44 | A | 45.5 | Very low | 48.6 | Very low | 104 Ų | 104 | 123.2 Ų | 123.2 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | trans | -59.4 | 108.2 | -167 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 45 | A | 46 | Very low | 48.9 | Very low | 76 Ų | 76 | 119.4 Ų | 119.4 | 63% | 0.628 | 77% | 0.765 | S | S | * | * | trans | -83.1 | 141 | 171 | 0 | 0 | 0 | 0 | 0 | 110.2 | S43 | S43-A45 PolarHBondContact O-N 3.42Å; S43-A45 VanDerWaalsContact O-N 3.08Å | ||
| 46 | P | 57.4 | Low | 49.6 | Very low | 106 Ų | 106 | 121.6 Ų | 121.6 | 69% | 0.688 | 77% | 0.765 | S | S | * | * | trans | -62.7 | 151.6 | 174.6 | 29.1 | -33 | 0 | 0 | 0 | 110 | E48 | P46-E48 WeakPolarHBondContact O-CG 3.5Å; P46-E48 PolarHBondContact O-N 2.83Å | ||
| 47 | S | 49.6 | Very low | 50.2 | Low | 131 Ų | 131 | 123.6 Ų | 123.6 | 92% | 0.916 | 77% | 0.767 | S | S | * | * | trans | -58 | 105.1 | 177.6 | -69.4 | 0 | 0 | 0 | 0 | 111.4 | E49 | S47-E49 PolarHBondContact O-N 2.9Š| ||
| 48 | E | 53.7 | Low | 51.2 | Low | 141 Ų | 141 | 121.7 Ų | 121.7 | 66% | 0.659 | 76% | 0.762 | S | S | * | * | trans | -81.5 | 95.3 | 169.4 | -55.8 | -179.7 | 135.3 | 0 | 0 | 107.5 | P46 E50 | P46-E48 WeakPolarHBondContact O-CG 3.5Å; P46-E48 PolarHBondContact O-N 2.83Å; E48-E50 HydrophobicContact CB-CB 4.22Å; E48-E50 PolarHBondContact O-N 2.73Å | ||
| 49 | E | 50 | Low | 52 | Low | 202 Ų | 202 | 120.7 Ų | 120.7 | 94% | 0.944 | 75% | 0.754 | S | S | * | * | trans | -72 | 71.4 | 144.4 | -103 | -174.5 | 86.6 | 0 | 0 | 106.4 | S47 S51 | S47-E49 PolarHBondContact O-N 2.9Å; E49-S51 PolarHBondContact O-N 2.82Å | ||
| 50 | E | 55.7 | Low | 52.8 | Low | 136 Ų | 136 | 118.5 Ų | 118.5 | 64% | 0.636 | 74% | 0.737 | S | S | * | * | trans | -73.9 | 81.6 | 167.3 | -122.4 | -172.1 | 93.9 | 0 | 0 | 106.6 | E48 S52 | E48-E50 HydrophobicContact CB-CB 4.22Å; E48-E50 PolarHBondContact O-N 2.73Å; E50-S52 PolarHBondContact O-N 3.03Å | ||
| 51 | S | 53.3 | Low | 53.7 | Low | 109 Ų | 109 | 115.2 Ų | 115.2 | 76% | 0.762 | 72% | 0.715 | S | S | * | * | trans | -66.6 | 84.6 | 160 | 172.7 | 0 | 0 | 0 | 0 | 106.7 | E49 G53 | E49-S51 PolarHBondContact O-N 2.82Å; S51-G53 PolarHBondContact O-N 3.36Å | ||
| 52 | S | 57 | Low | 54.5 | Low | 96 Ų | 96 | 114.5 Ų | 114.5 | 67% | 0.671 | 70% | 0.701 | S | S | * | * | trans | -65.7 | 63.6 | 163.9 | -46.4 | 0 | 0 | 0 | 0 | 108.9 | E50 S54 | E50-S52 PolarHBondContact O-N 3.03Å; S52-S54 PolarHBondContact O-N 2.89Å | ||
| 53 | G | 50 | Low | 55.2 | Low | 52 Ų | 52 | 115.5 Ų | 115.5 | 54% | 0.536 | 70% | 0.698 | S | S | . | * | trans | -67.5 | 91.3 | 165.5 | 0 | 0 | 0 | 0 | 0 | 106.4 | S51 I55 | S51-G53 PolarHBondContact O-N 3.36Å; G53-I55 VanDerWaalsContact C-N 3.25Å; G53-I55 PolarHBondContact O-N 2.86Å | ||
| 54 | S | 54.9 | Low | 56.1 | Low | 113 Ų | 113 | 113.9 Ų | 113.9 | 79% | 0.79 | 68% | 0.68 | S | S | * | * | trans | -59.5 | 97.5 | 166.1 | -174 | 0 | 0 | 0 | 0 | 106.7 | S52 M56 | S52-S54 PolarHBondContact O-N 2.89Å; S54-M56 PolarHBondContact O-N 3.28Å | ||
| 55 | I | 55 | Low | 57.2 | Low | 139 Ų | 139 | 112.2 Ų | 112.2 | 71% | 0.713 | 65% | 0.654 | S | S | * | * | trans | -71 | 94.6 | 170.2 | -61.5 | 170 | 0 | 0 | 0 | 104.4 | G53 L57 | G53-I55 VanDerWaalsContact C-N 3.25Å; G53-I55 PolarHBondContact O-N 2.86Å; I55-L57 HydrophobicContact CG2-CD2 3.82Å; I55-L57 HydrophobicContact CG2-CG 3.99Å; I55-L57 PolarHBondContact O-N 3.47Å | ||
| 56 | M | 55.3 | Low | 58.3 | Low | 160 Ų | 160 | 113.5 Ų | 113.5 | 79% | 0.788 | 65% | 0.647 | S | S | * | * | trans | -69.3 | 85.7 | 171.9 | -165.6 | 159.1 | 62.4 | 0 | 0 | 107.3 | S54 N58 | S54-M56 PolarHBondContact O-N 3.28Å; M56-N58 PolarHBondContact O-N 2.96Å; M56-N58 VanDerWaalsContact O-N 3.16Å | ||
| 57 | L | 64.4 | Low | 58.9 | Low | 147 Ų | 147 | 112 Ų | 112 | 77% | 0.77 | 64% | 0.639 | S | S | * | * | trans | -65.1 | 113.8 | 170.4 | -68.7 | 173.3 | 0 | 0 | 0 | 106.8 | I55 | I55-L57 HydrophobicContact CG2-CD2 3.82Å; I55-L57 HydrophobicContact CG2-CG 3.99Å; I55-L57 PolarHBondContact O-N 3.47Å | ||
| 58 | N | 62.2 | Low | 59.9 | Low | 137 Ų | 137 | 109.8 Ų | 109.8 | 73% | 0.733 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 136 | 171 | -70.6 | -54.9 | 0 | 0 | 0 | 108.2 | M56 | M56-N58 PolarHBondContact O-N 2.96Å; M56-N58 VanDerWaalsContact O-N 3.16Å |
| 59 | P | 62.2 | Low | 60.9 | Low | 101 Ų | 101 | 104.3 Ų | 104.3 | 66% | 0.656 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 132.6 | 175.5 | 23.1 | -31.6 | 0 | 0 | 0 | 108.5 | S61 | P59-S61 PolarHBondContact O-N 3.49Š|
| 60 | P | 59.7 | Low | 62 | Low | 58 Ų | 58 | 97 Ų | 97 | 38% | 0.377 | 57% | 0.566 | S | S | . | * | P | Polyproline II helix | trans | -55.5 | 143.3 | 177.7 | 20.3 | -29.9 | 0 | 0 | 0 | 109.4 | D64 I68 | P60-D64 HydrophobicContact CB-CB 3.73Å; P60-I68 HydrophobicContact CB-CD1 3.72Å; P60-I68 HydrophobicContact CG-CD1 4.07Å |
| 61 | S | 62.5 | Low | 62.9 | Low | 52 Ų | 52 | 96.9 Ų | 96.9 | 36% | 0.364 | 57% | 0.566 | S | S | . | * | P | Polyproline II helix | trans | -61.3 | 156.5 | 172.3 | 76.4 | 0 | 0 | 0 | 0 | 108.9 | P59 M63 D64 F65 | P59-S61 PolarHBondContact O-N 3.49Å; S61-M63 PolarHBondContact O-N 2.91Å; S61-D64 VanDerWaalsContact CB-OD2 3.23Å; S61-D64 WeakPolarHBondContact CB-OD2 3.5Å; S61-D64 PolarHBondContact N-OD2 3.3Å; S61-D64 WeakPolarHBondContact O-CA 3.36Å; S61-D64 WeakPolarHBondContact O-CB 3.29Å; S61-D64 PolarHBondContact O-N 3.46Å; S61-D64 PolarHBondContact OG-N 2.96Å; S61-D64 PolarHBondContact OG-OD2 3.34Å; S61-F65 PolarHBondContact O-N 3.03Å |
| 62 | P | 60.8 | Low | 63.9 | Low | 84 Ų | 84 | 94.7 Ų | 94.7 | 55% | 0.545 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -54.8 | -28.3 | 177.9 | -25.1 | 32.9 | 0 | 0 | 0 | 113.6 | Y107 | P62-Y107 HydrophobicContact CB-CD1 4.48Å; P62-Y107 HydrophobicContact CB-CE1 3.76Å; P62-Y107 HydrophobicContact CG-CE1 3.89Å |
| 63 | M | 57.9 | Low | 64.7 | Low | 168 Ų | 168 | 96.3 Ų | 96.3 | 83% | 0.828 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -71.8 | -34.3 | 175.6 | -127.1 | 176.5 | -130.1 | 0 | 0 | 112.3 | S61 F65 | S61-M63 PolarHBondContact O-N 2.91Å; M63-F65 VanDerWaalsContact C-N 3.34Å |
| 64 | D | 66.2 | Low | 65.8 | Low | 79 Ų | 79 | 98 Ų | 98 | 42% | 0.422 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -73.1 | -29.7 | 177.9 | -58.4 | -45.8 | 0 | 0 | 0 | 111.4 | P60 S61 S67 I68 | P60-D64 HydrophobicContact CB-CB 3.73Å; S61-D64 VanDerWaalsContact CB-OD2 3.23Å; S61-D64 WeakPolarHBondContact CB-OD2 3.5Å; S61-D64 PolarHBondContact N-OD2 3.3Å; S61-D64 WeakPolarHBondContact O-CA 3.36Å; S61-D64 WeakPolarHBondContact O-CB 3.29Å; S61-D64 PolarHBondContact O-N 3.46Å; S61-D64 PolarHBondContact OG-N 2.96Å; S61-D64 PolarHBondContact OG-OD2 3.34Å; D64-S67 PolarHBondContact O-N 3.4Å; D64-I68 HydrophobicContact CB-CD1 4.22Å; D64-I68 WeakPolarHBondContact O-CB 3.33Å; D64-I68 WeakPolarHBondContact O-CD1 2.95Å; D64-I68 WeakPolarHBondContact O-CG1 3.41Å; D64-I68 PolarHBondContact O-N 3.03Å |
| 65 | F | 67.8 | Low | 66.6 | Low | 70 Ų | 70 | 94.6 Ų | 94.6 | 31% | 0.307 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.8 | -50.3 | -179.3 | -176.8 | -101.1 | 0 | 0 | 0 | 112.2 | S61 M63 S67 I68 V69 | S61-F65 PolarHBondContact O-N 3.03Å; M63-F65 VanDerWaalsContact C-N 3.34Å; F65-S67 VanDerWaalsContact C-N 3.28Å; F65-S67 PolarHBondContact O-N 3.18Å; F65-I68 PolarHBondContact O-N 2.92Å; F65-V69 HydrophobicContact CD1-CG2 4.05Å; F65-V69 HydrophobicContact CD2-CG2 4.39Å; F65-V69 HydrophobicContact CE1-CG2 3.68Å; F65-V69 HydrophobicContact CE2-CG2 4.04Å; F65-V69 HydrophobicContact CG-CG2 4.41Å; F65-V69 HydrophobicContact CZ-CG2 3.67Å; F65-V69 VanDerWaalsContact O-CG2 3.28Å; F65-V69 WeakPolarHBondContact O-CG2 3.44Å; F65-V69 PolarHBondContact O-N 3.16Å |
| 66 | E | 68.2 | Low | 67.3 | Low | 103 Ų | 103 | 89.5 Ų | 89.5 | 48% | 0.481 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.5 | -38.3 | 178.8 | -66.2 | -171.4 | 166.6 | 0 | 0 | 112.1 | V69 A70 T110 | E66-V69 PolarHBondContact O-N 2.69Å; E66-A70 VanDerWaalsContact O-CB 3.31Å; E66-A70 WeakPolarHBondContact O-CB 3.31Å; E66-A70 PolarHBondContact O-N 2.76Å; E66-T110 WeakPolarHBondContact OE1-CB 3.41Å; E66-T110 WeakPolarHBondContact OE1-CG2 3.37Å; E66-T110 PolarHBondContact OE1-OG1 3.1Å |
| 67 | S | 70 | Confident | 67.9 | Low | 74 Ų | 74 | 84.9 Ų | 84.9 | 52% | 0.517 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.8 | -45.1 | 175.1 | -172.3 | 0 | 0 | 0 | 0 | 111.6 | D64 F65 A70 E71 | D64-S67 PolarHBondContact O-N 3.4Å; F65-S67 VanDerWaalsContact C-N 3.28Å; F65-S67 PolarHBondContact O-N 3.18Å; S67-A70 PolarHBondContact O-N 2.96Å; S67-E71 WeakPolarHBondContact O-CB 3.36Å; S67-E71 PolarHBondContact O-N 3.29Å |
| 68 | I | 71.6 | Confident | 68.1 | Low | 84 Ų | 84 | 84.6 Ų | 84.6 | 43% | 0.431 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.7 | -43.8 | 178 | -69.4 | 161.6 | 0 | 0 | 0 | 110.4 | P60 D64 F65 E71 L72 | P60-I68 HydrophobicContact CB-CD1 3.72Å; P60-I68 HydrophobicContact CG-CD1 4.07Å; D64-I68 HydrophobicContact CB-CD1 4.22Å; D64-I68 WeakPolarHBondContact O-CB 3.33Å; D64-I68 WeakPolarHBondContact O-CD1 2.95Å; D64-I68 WeakPolarHBondContact O-CG1 3.41Å; D64-I68 PolarHBondContact O-N 3.03Å; F65-I68 PolarHBondContact O-N 2.92Å; I68-E71 PolarHBondContact O-N 2.81Å; I68-L72 WeakPolarHBondContact O-CB 3.29Å; I68-L72 PolarHBondContact O-N 2.83Å |
| 69 | V | 73.7 | Confident | 68.2 | Low | 26 Ų | 26 | 81.9 Ų | 81.9 | 16% | 0.158 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -64.4 | -43.5 | 177.5 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | F65 E66 E71 L72 Y73 L99 | F65-V69 HydrophobicContact CD1-CG2 4.05Å; F65-V69 HydrophobicContact CD2-CG2 4.39Å; F65-V69 HydrophobicContact CE1-CG2 3.68Å; F65-V69 HydrophobicContact CE2-CG2 4.04Å; F65-V69 HydrophobicContact CG-CG2 4.41Å; F65-V69 HydrophobicContact CZ-CG2 3.67Å; F65-V69 VanDerWaalsContact O-CG2 3.28Å; F65-V69 WeakPolarHBondContact O-CG2 3.44Å; F65-V69 PolarHBondContact O-N 3.16Å; E66-V69 PolarHBondContact O-N 2.69Å; V69-E71 VanDerWaalsContact C-N 3.35Å; V69-L72 PolarHBondContact O-N 3.43Å; V69-Y73 WeakPolarHBondContact O-CB 3.37Å; V69-Y73 PolarHBondContact O-N 2.92Å; V69-L99 HydrophobicContact CB-CD2 4.17Å; V69-L99 HydrophobicContact CG1-CD1 3.9Å; V69-L99 HydrophobicContact CG1-CD2 3.73Å; V69-L99 HydrophobicContact CG1-CG 4.39Å; V69-L99 HydrophobicContact CG2-CD2 3.46Å; V69-L99 VanDerWaalsContact CG2-CD2 3.46Å |
| 70 | A | 73.2 | Confident | 68.3 | Low | 48 Ų | 48 | 83.9 Ų | 83.9 | 40% | 0.397 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64 | -40.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | E66 S67 Y73 N74 | E66-A70 VanDerWaalsContact O-CB 3.31Å; E66-A70 WeakPolarHBondContact O-CB 3.31Å; E66-A70 PolarHBondContact O-N 2.76Å; S67-A70 PolarHBondContact O-N 2.96Å; A70-Y73 PolarHBondContact O-N 3.39Å; A70-N74 WeakPolarHBondContact O-CB 3.45Å; A70-N74 VanDerWaalsContact O-CG 3.31Å; A70-N74 PolarHBondContact O-N 2.93Å; A70-N74 PolarHBondContact O-ND2 3.17Å |
| 71 | E | 75 | Confident | 68.6 | Low | 135 Ų | 135 | 86.9 Ų | 86.9 | 63% | 0.631 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -65.3 | -44 | 176 | -171.1 | 172.3 | -177.4 | 0 | 0 | 111.6 | S67 I68 V69 Y73 N74 A75 | S67-E71 WeakPolarHBondContact O-CB 3.36Å; S67-E71 PolarHBondContact O-N 3.29Å; I68-E71 PolarHBondContact O-N 2.81Å; V69-E71 VanDerWaalsContact C-N 3.35Å; E71-Y73 PolarHBondContact O-N 3.49Å; E71-N74 PolarHBondContact O-N 2.71Å; E71-A75 WeakPolarHBondContact O-CB 3.31Å; E71-A75 PolarHBondContact O-N 3.28Å |
| 72 | L | 75.3 | Confident | 68.6 | Low | 62 Ų | 62 | 90.8 Ų | 90.8 | 33% | 0.325 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.8 | -45.4 | 175.1 | -175.8 | 66.8 | 0 | 0 | 0 | 111.4 | I68 V69 N74 A75 L76 | I68-L72 WeakPolarHBondContact O-CB 3.29Å; I68-L72 PolarHBondContact O-N 2.83Å; V69-L72 PolarHBondContact O-N 3.43Å; L72-N74 PolarHBondContact O-N 2.95Å; L72-A75 WeakPolarHBondContact O-CB 3.42Å; L72-A75 PolarHBondContact O-N 2.85Å; L72-L76 HydrophobicContact CG-CD1 4.43Å; L72-L76 VanDerWaalsContact O-CG 3.31Å; L72-L76 WeakPolarHBondContact O-CG 3.5Å; L72-L76 PolarHBondContact O-N 2.9Å |
| 73 | Y | 73.3 | Confident | 68.3 | Low | 131 Ų | 131 | 90.3 Ų | 90.3 | 51% | 0.514 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -60.4 | -44.6 | 176.5 | -176.9 | -103 | 0 | 0 | 0 | 111.9 | V69 A70 E71 A75 L76 I77 | V69-Y73 WeakPolarHBondContact O-CB 3.37Å; V69-Y73 PolarHBondContact O-N 2.92Å; A70-Y73 PolarHBondContact O-N 3.39Å; E71-Y73 PolarHBondContact O-N 3.49Å; Y73-A75 VanDerWaalsContact C-N 3.35Å; Y73-A75 PolarHBondContact O-N 2.88Å; Y73-L76 PolarHBondContact O-N 3.18Å; Y73-I77 HydrophobicContact CD1-CD1 3.72Å; Y73-I77 HydrophobicContact CE1-CD1 3.23Å; Y73-I77 HydrophobicContact CE1-CG1 4.27Å; Y73-I77 WeakPolarHBondContact O-CG1 3.38Å; Y73-I77 PolarHBondContact O-N 3.35Å |
| 74 | N | 72.1 | Confident | 68.3 | Low | 87 Ų | 87 | 89 Ų | 89 | 47% | 0.465 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.7 | -37.9 | 176 | -77.1 | -41 | 0 | 0 | 0 | 112.5 | A70 E71 L72 I77 K78 | A70-N74 WeakPolarHBondContact O-CB 3.45Å; A70-N74 VanDerWaalsContact O-CG 3.31Å; A70-N74 PolarHBondContact O-N 2.93Å; A70-N74 PolarHBondContact O-ND2 3.17Å; E71-N74 PolarHBondContact O-N 2.71Å; L72-N74 PolarHBondContact O-N 2.95Å; N74-I77 PolarHBondContact O-N 2.58Å; N74-K78 WeakPolarHBondContact O-CG 3.19Å; N74-K78 PolarHBondContact O-N 3.37Å |
| 75 | A | 72.4 | Confident | 67.9 | Low | 41 Ų | 41 | 93.1 Ų | 93.1 | 34% | 0.339 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.2 | -43.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111 | E71 L72 Y73 I77 K78 M79 | E71-A75 WeakPolarHBondContact O-CB 3.31Å; E71-A75 PolarHBondContact O-N 3.28Å; L72-A75 WeakPolarHBondContact O-CB 3.42Å; L72-A75 PolarHBondContact O-N 2.85Å; Y73-A75 VanDerWaalsContact C-N 3.35Å; Y73-A75 PolarHBondContact O-N 2.88Å; A75-I77 PolarHBondContact O-N 3.45Å; A75-K78 PolarHBondContact O-N 2.91Å; A75-M79 WeakPolarHBondContact O-CB 3.3Å; A75-M79 VanDerWaalsContact O-CG 3.29Å; A75-M79 WeakPolarHBondContact O-CG 3.3Å; A75-M79 PolarHBondContact O-N 2.83Å |
| 76 | L | 69.3 | Low | 67.3 | Low | 32 Ų | 32 | 92.3 Ų | 92.3 | 17% | 0.168 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -63.1 | -40.4 | 176.2 | -68.6 | 169.1 | 0 | 0 | 0 | 112.5 | L72 Y73 M79 K80 L95 | L72-L76 HydrophobicContact CG-CD1 4.43Å; L72-L76 VanDerWaalsContact O-CG 3.31Å; L72-L76 WeakPolarHBondContact O-CG 3.5Å; L72-L76 PolarHBondContact O-N 2.9Å; Y73-L76 PolarHBondContact O-N 3.18Å; L76-M79 PolarHBondContact O-N 3.05Å; L76-K80 PolarHBondContact O-N 2.7Å; L76-L95 HydrophobicContact CD1-CB 4.4Å; L76-L95 HydrophobicContact CD1-CD1 3.67Å; L76-L95 HydrophobicContact CD2-CD1 3.65Å; L76-L95 HydrophobicContact CG-CD1 4.26Å |
| 77 | I | 68 | Low | 66.7 | Low | 64 Ų | 64 | 89 Ų | 89 | 33% | 0.328 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63 | -48.6 | 174.1 | -69 | 172 | 0 | 0 | 0 | 110.6 | Y73 N74 A75 M79 K80 D81 | Y73-I77 HydrophobicContact CD1-CD1 3.72Å; Y73-I77 HydrophobicContact CE1-CD1 3.23Å; Y73-I77 HydrophobicContact CE1-CG1 4.27Å; Y73-I77 WeakPolarHBondContact O-CG1 3.38Å; Y73-I77 PolarHBondContact O-N 3.35Å; N74-I77 PolarHBondContact O-N 2.58Å; A75-I77 PolarHBondContact O-N 3.45Å; I77-M79 VanDerWaalsContact C-N 3.26Å; I77-M79 PolarHBondContact O-N 3.5Å; I77-K80 VanDerWaalsContact O-CB 3.29Å; I77-K80 WeakPolarHBondContact O-CB 3.42Å; I77-K80 PolarHBondContact O-N 3.33Å; I77-D81 PolarHBondContact O-N 2.76Å; I77-D81 VanDerWaalsContact O-N 3.1Å |
| 78 | K | 68.8 | Low | 66.2 | Low | 141 Ų | 141 | 87.6 Ų | 87.6 | 61% | 0.613 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -61.7 | -36.6 | 177.9 | -73.5 | 176.3 | 179.6 | 177.2 | 0 | 112.1 | N74 A75 D81 N82 | N74-K78 WeakPolarHBondContact O-CG 3.19Å; N74-K78 PolarHBondContact O-N 3.37Å; A75-K78 PolarHBondContact O-N 2.91Å; K78-D81 PolarHBondContact O-N 3.05Å; K78-N82 WeakPolarHBondContact O-CB 3.27Å; K78-N82 PolarHBondContact O-N 3.49Å; K78-N82 VanDerWaalsContact O-N 3.09Å; K78-N82 PolarHBondContact O-ND2 3.5Å |
| 79 | M | 65.3 | Low | 65.7 | Low | 80 Ų | 80 | 88 Ų | 88 | 39% | 0.394 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.1 | -39 | 174.3 | -81.3 | 169.9 | 68 | 0 | 0 | 111.5 | A75 L76 I77 D81 N82 M83 | A75-M79 WeakPolarHBondContact O-CB 3.3Å; A75-M79 VanDerWaalsContact O-CG 3.29Å; A75-M79 WeakPolarHBondContact O-CG 3.3Å; A75-M79 PolarHBondContact O-N 2.83Å; L76-M79 PolarHBondContact O-N 3.05Å; I77-M79 VanDerWaalsContact C-N 3.26Å; I77-M79 PolarHBondContact O-N 3.5Å; M79-D81 VanDerWaalsContact C-N 3.3Å; M79-D81 PolarHBondContact O-N 3.4Å; M79-N82 PolarHBondContact O-N 2.82Å; M79-M83 HydrophobicContact CB-CE 3.81Å; M79-M83 HydrophobicContact CE-CE 3.1Å; M79-M83 HydrophobicContact CG-CE 3.95Å; M79-M83 VanDerWaalsContact O-CB 3.26Å; M79-M83 WeakPolarHBondContact O-CB 3.45Å; M79-M83 WeakPolarHBondContact O-CG 3.32Å; M79-M83 PolarHBondContact O-N 3.36Å; M79-M83 HydrophobicContact SD-CE 4.33Å |
| 80 | K | 63.6 | Low | 65.1 | Low | 143 Ų | 143 | 92.3 Ų | 92.3 | 62% | 0.622 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.1 | -39.1 | 173.2 | -179.3 | -169.8 | 171.8 | -171.3 | 0 | 112 | L76 I77 | L76-K80 PolarHBondContact O-N 2.7Å; I77-K80 VanDerWaalsContact O-CB 3.29Å; I77-K80 WeakPolarHBondContact O-CB 3.42Å; I77-K80 PolarHBondContact O-N 3.33Å |
| 81 | D | 65.5 | Low | 64.8 | Low | 120 Ų | 120 | 93.1 Ų | 93.1 | 64% | 0.642 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -76.5 | -25.5 | -179.8 | -64.3 | -33.4 | 0 | 0 | 0 | 113.3 | I77 K78 M79 | I77-D81 PolarHBondContact O-N 2.76Å; I77-D81 VanDerWaalsContact O-N 3.1Å; K78-D81 PolarHBondContact O-N 3.05Å; M79-D81 VanDerWaalsContact C-N 3.3Å; M79-D81 PolarHBondContact O-N 3.4Å |
| 82 | N | 63.8 | Low | 64.3 | Low | 134 Ų | 134 | 88.4 Ų | 88.4 | 72% | 0.717 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -106.6 | -5.2 | -175.9 | -68.3 | -68.2 | 0 | 0 | 0 | 114.6 | K78 M79 | K78-N82 WeakPolarHBondContact O-CB 3.27Å; K78-N82 PolarHBondContact O-N 3.49Å; K78-N82 VanDerWaalsContact O-N 3.09Å; K78-N82 PolarHBondContact O-ND2 3.5Å; M79-N82 PolarHBondContact O-N 2.82Å |
| 83 | M | 54 | Low | 63.7 | Low | 74 Ų | 74 | 88.9 Ų | 88.9 | 37% | 0.365 | 49% | 0.487 | S | S | . | . | trans | -103.6 | 125.6 | 174.7 | -74.7 | -156.5 | -121.1 | 0 | 0 | 112 | M79 Q85 | M79-M83 HydrophobicContact CB-CE 3.81Å; M79-M83 HydrophobicContact CE-CE 3.1Å; M79-M83 HydrophobicContact CG-CE 3.95Å; M79-M83 VanDerWaalsContact O-CB 3.26Å; M79-M83 WeakPolarHBondContact O-CB 3.45Å; M79-M83 WeakPolarHBondContact O-CG 3.32Å; M79-M83 PolarHBondContact O-N 3.36Å; M79-M83 HydrophobicContact SD-CE 4.33Å; M83-Q85 WeakPolarHBondContact CB-O 3.23Å; M83-Q85 PolarHBondContact O-N 2.78Å | ||
| 84 | P | 57.2 | Low | 63.4 | Low | 141 Ų | 141 | 87.9 Ų | 87.9 | 92% | 0.916 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -66.7 | -17.6 | 171.6 | 26.5 | -32.2 | 0 | 0 | 0 | 112.7 | ||
| 85 | Q | 57.1 | Low | 63.2 | Low | 166 Ų | 166 | 85.9 Ų | 85.9 | 78% | 0.776 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -122.3 | 96 | 167.9 | -69.6 | -177.9 | 2.1 | 0 | 0 | 106.8 | M83 | M83-Q85 WeakPolarHBondContact CB-O 3.23Å; M83-Q85 PolarHBondContact O-N 2.78Å |
| 86 | A | 55.2 | Low | 63 | Low | 53 Ų | 53 | 87.9 Ų | 87.9 | 44% | 0.438 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -47.4 | 144.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | A88 | A86-A88 PolarHBondContact O-N 3.4Š|
| 87 | P | 56.6 | Low | 62.9 | Low | 32 Ų | 32 | 90.4 Ų | 90.4 | 21% | 0.208 | 50% | 0.496 | C | S | . | . | S | Bend | trans | -50.1 | 126.3 | 166.5 | 23.5 | -31.6 | 0 | 0 | 0 | 106.2 | V91 | P87-V91 HydrophobicContact CB-CB 4.2Å; P87-V91 HydrophobicContact CB-CG1 4.32Å |
| 88 | A | 59.8 | Low | 62.8 | Low | 46 Ų | 46 | 94.9 Ų | 94.9 | 38% | 0.38 | 51% | 0.509 | S | S | . | . | P | Polyproline II helix | trans | -46.9 | 135.1 | -170.8 | 0 | 0 | 0 | 0 | 0 | 108 | A86 E90 V91 | A86-A88 PolarHBondContact O-N 3.4Å; A88-E90 WeakPolarHBondContact CA-OE2 3.36Å; A88-E90 WeakPolarHBondContact CB-OE2 3.14Å; A88-E90 CarbonylContact O-C 3.59Å; A88-E90 PolarHBondContact O-N 2.86Å; A88-V91 HydrophobicContact CB-CG2 4.47Å; A88-V91 WeakPolarHBondContact O-CA 3.16Å; A88-V91 WeakPolarHBondContact O-CB 3.22Å; A88-V91 PolarHBondContact O-N 2.59Å |
| 89 | P | 60.8 | Low | 62.7 | Low | 91 Ų | 91 | 89.8 Ų | 89.8 | 59% | 0.591 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -48.4 | -23.1 | -175 | 16.7 | -30.1 | 0 | 0 | 0 | 113.5 | S93 | P89-S93 VanDerWaalsContact O-CB 3.32Å; P89-S93 WeakPolarHBondContact O-CB 3.41Å; P89-S93 PolarHBondContact O-N 3.26Å; P89-S93 PolarHBondContact O-OG 3.02Å |
| 90 | E | 62 | Low | 62.5 | Low | 117 Ų | 117 | 90.6 Ų | 90.6 | 55% | 0.547 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.5 | -45.7 | 168.8 | -58.8 | 76.4 | -166.8 | 0 | 0 | 113 | A88 S93 L94 | A88-E90 WeakPolarHBondContact CA-OE2 3.36Å; A88-E90 WeakPolarHBondContact CB-OE2 3.14Å; A88-E90 CarbonylContact O-C 3.59Å; A88-E90 PolarHBondContact O-N 2.86Å; E90-S93 PolarHBondContact O-N 3.39Å; E90-L94 VanDerWaalsContact O-CB 3.3Å; E90-L94 WeakPolarHBondContact O-CB 3.42Å; E90-L94 WeakPolarHBondContact O-CG 3.28Å; E90-L94 PolarHBondContact O-N 2.88Å |
| 91 | V | 65.5 | Low | 62.4 | Low | 66 Ų | 66 | 90.6 Ų | 90.6 | 40% | 0.4 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.8 | -44 | 177.8 | -178.5 | 0 | 0 | 0 | 0 | 111 | P87 A88 S93 L94 L95 | P87-V91 HydrophobicContact CB-CB 4.2Å; P87-V91 HydrophobicContact CB-CG1 4.32Å; A88-V91 HydrophobicContact CB-CG2 4.47Å; A88-V91 WeakPolarHBondContact O-CA 3.16Å; A88-V91 WeakPolarHBondContact O-CB 3.22Å; A88-V91 PolarHBondContact O-N 2.59Å; V91-S93 VanDerWaalsContact C-N 3.32Å; V91-S93 PolarHBondContact O-N 3.22Å; V91-L94 PolarHBondContact O-N 3.15Å; V91-L95 HydrophobicContact CG1-CD1 4.04Å; V91-L95 WeakPolarHBondContact O-CB 3.48Å; V91-L95 VanDerWaalsContact O-CG 3.3Å; V91-L95 WeakPolarHBondContact O-CG 3.16Å; V91-L95 PolarHBondContact O-N 2.77Å |
| 92 | A | 64.6 | Low | 61.7 | Low | 36 Ų | 36 | 86.3 Ų | 86.3 | 30% | 0.298 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.8 | -41 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | L95 L96 | A92-L95 PolarHBondContact O-N 3.2Å; A92-L96 WeakPolarHBondContact O-CB 3.16Å; A92-L96 VanDerWaalsContact O-CG 3.27Å; A92-L96 WeakPolarHBondContact O-CG 3.37Å; A92-L96 PolarHBondContact O-N 2.91Å |
| 93 | S | 63.6 | Low | 61.2 | Low | 72 Ų | 72 | 82.2 Ų | 82.2 | 50% | 0.503 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -67 | -39.6 | 177 | -58.3 | 0 | 0 | 0 | 0 | 112.1 | P89 E90 V91 L96 L97 | P89-S93 VanDerWaalsContact O-CB 3.32Å; P89-S93 WeakPolarHBondContact O-CB 3.41Å; P89-S93 PolarHBondContact O-N 3.26Å; P89-S93 PolarHBondContact O-OG 3.02Å; E90-S93 PolarHBondContact O-N 3.39Å; V91-S93 VanDerWaalsContact C-N 3.32Å; V91-S93 PolarHBondContact O-N 3.22Å; S93-L96 PolarHBondContact O-N 3.48Å; S93-L97 VanDerWaalsContact O-CB 3.24Å; S93-L97 WeakPolarHBondContact O-CB 3.24Å; S93-L97 PolarHBondContact O-N 3.05Å |
| 94 | L | 66.1 | Low | 60.9 | Low | 110 Ų | 110 | 87.2 Ų | 87.2 | 58% | 0.576 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -67 | -39.3 | 175.5 | -76.2 | 169.3 | 0 | 0 | 0 | 111.6 | E90 V91 L97 W98 | E90-L94 VanDerWaalsContact O-CB 3.3Å; E90-L94 WeakPolarHBondContact O-CB 3.42Å; E90-L94 WeakPolarHBondContact O-CG 3.28Å; E90-L94 PolarHBondContact O-N 2.88Å; V91-L94 PolarHBondContact O-N 3.15Å; L94-L97 PolarHBondContact O-N 2.86Å; L94-W98 VanDerWaalsContact O-CB 3.22Å; L94-W98 WeakPolarHBondContact O-CB 3.41Å; L94-W98 PolarHBondContact O-N 3Å |
| 95 | L | 69.1 | Low | 60.3 | Low | 45 Ų | 45 | 87 Ų | 87 | 24% | 0.236 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -66.4 | -42.6 | 173.9 | -73.9 | 167.2 | 0 | 0 | 0 | 111 | L76 V91 A92 L97 W98 L99 | L76-L95 HydrophobicContact CD1-CB 4.4Å; L76-L95 HydrophobicContact CD1-CD1 3.67Å; L76-L95 HydrophobicContact CD2-CD1 3.65Å; L76-L95 HydrophobicContact CG-CD1 4.26Å; V91-L95 HydrophobicContact CG1-CD1 4.04Å; V91-L95 WeakPolarHBondContact O-CB 3.48Å; V91-L95 VanDerWaalsContact O-CG 3.3Å; V91-L95 WeakPolarHBondContact O-CG 3.16Å; V91-L95 PolarHBondContact O-N 2.77Å; A92-L95 PolarHBondContact O-N 3.2Å; L95-L97 VanDerWaalsContact C-N 3.34Å; L95-L97 PolarHBondContact O-N 3.14Å; L95-W98 PolarHBondContact O-N 3.32Å; L95-L99 WeakPolarHBondContact O-CB 3.39Å; L95-L99 WeakPolarHBondContact O-CG 3.33Å; L95-L99 PolarHBondContact O-N 3.05Å |
| 96 | L | 67 | Low | 59.9 | Low | 82 Ų | 82 | 82.9 Ų | 82.9 | 43% | 0.429 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.8 | -40.6 | 173 | -72.8 | 169.8 | 0 | 0 | 0 | 112 | A92 S93 L99 H100 | A92-L96 WeakPolarHBondContact O-CB 3.16Å; A92-L96 VanDerWaalsContact O-CG 3.27Å; A92-L96 WeakPolarHBondContact O-CG 3.37Å; A92-L96 PolarHBondContact O-N 2.91Å; S93-L96 PolarHBondContact O-N 3.48Å; L96-L99 PolarHBondContact O-N 2.89Å; L96-H100 WeakPolarHBondContact O-CB 3.33Å; L96-H100 PolarHBondContact O-CD2 3.02Å; L96-H100 PolarHBondContact O-N 2.88Å |
| 97 | L | 67 | Low | 59.6 | Low | 85 Ų | 85 | 84.7 Ų | 84.7 | 45% | 0.445 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.4 | -42.3 | 176 | -169.9 | 75.1 | 0 | 0 | 0 | 111 | S93 L94 L95 H100 Q101 | S93-L97 VanDerWaalsContact O-CB 3.24Å; S93-L97 WeakPolarHBondContact O-CB 3.24Å; S93-L97 PolarHBondContact O-N 3.05Å; L94-L97 PolarHBondContact O-N 2.86Å; L95-L97 VanDerWaalsContact C-N 3.34Å; L95-L97 PolarHBondContact O-N 3.14Å; L97-H100 CarbonylContact O-C 3.5Å; L97-H100 WeakPolarHBondContact O-CB 3.36Å; L97-H100 PolarHBondContact O-N 2.09Å; L97-Q101 HydrophobicContact CG-CG 4.41Å; L97-Q101 WeakPolarHBondContact O-CB 3.35Å; L97-Q101 WeakPolarHBondContact O-CG 3.29Å; L97-Q101 PolarHBondContact O-N 3.37Å |
| 98 | W | 66.5 | Low | 59.1 | Low | 159 Ų | 159 | 90.8 Ų | 90.8 | 60% | 0.602 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.3 | -37.8 | 176.1 | -177 | 82.5 | 0 | 0 | 0 | 111.6 | L94 L95 H100 G102 | L94-W98 VanDerWaalsContact O-CB 3.22Å; L94-W98 WeakPolarHBondContact O-CB 3.41Å; L94-W98 PolarHBondContact O-N 3Å; L95-W98 PolarHBondContact O-N 3.32Å; W98-H100 VanDerWaalsContact C-N 3.33Å; W98-G102 WeakPolarHBondContact O-CA 3.29Å; W98-G102 PolarHBondContact O-N 3.14Å |
| 99 | L | 65.7 | Low | 58.5 | Low | 34 Ų | 34 | 92.2 Ų | 92.2 | 18% | 0.178 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -65.1 | -38.1 | 171.4 | -71.8 | 170.6 | 0 | 0 | 0 | 111.6 | V69 L95 L96 | V69-L99 HydrophobicContact CB-CD2 4.17Å; V69-L99 HydrophobicContact CG1-CD1 3.9Å; V69-L99 HydrophobicContact CG1-CD2 3.73Å; V69-L99 HydrophobicContact CG1-CG 4.39Å; V69-L99 HydrophobicContact CG2-CD2 3.46Å; V69-L99 VanDerWaalsContact CG2-CD2 3.46Å; L95-L99 WeakPolarHBondContact O-CB 3.39Å; L95-L99 WeakPolarHBondContact O-CG 3.33Å; L95-L99 PolarHBondContact O-N 3.05Å; L96-L99 PolarHBondContact O-N 2.89Å |
| 100 | H | 62.6 | Low | 57.9 | Low | 97 Ų | 97 | 92.1 Ų | 92.1 | 45% | 0.449 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68 | -45.2 | 175.6 | -100.9 | -77.6 | 0 | 0 | 0 | 112.8 | L96 L97 W98 S103 L113 | L96-H100 WeakPolarHBondContact O-CB 3.33Å; L96-H100 PolarHBondContact O-CD2 3.02Å; L96-H100 PolarHBondContact O-N 2.88Å; L97-H100 CarbonylContact O-C 3.5Å; L97-H100 WeakPolarHBondContact O-CB 3.36Å; L97-H100 PolarHBondContact O-N 2.09Å; W98-H100 VanDerWaalsContact C-N 3.33Å; H100-S103 PolarHBondContact O-OG 3.49Å; H100-L113 VanDerWaalsContact NE2-CD1 3.29Å; H100-L113 WeakPolarHBondContact NE2-CD1 3.16Å |
| 101 | Q | 61.2 | Low | 56.9 | Low | 142 Ų | 142 | 90.6 Ų | 90.6 | 66% | 0.664 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -81.2 | -19 | -179.6 | -66.1 | -173.5 | 23.4 | 0 | 0 | 112.3 | L97 S103 | L97-Q101 HydrophobicContact CG-CG 4.41Å; L97-Q101 WeakPolarHBondContact O-CB 3.35Å; L97-Q101 WeakPolarHBondContact O-CG 3.29Å; L97-Q101 PolarHBondContact O-N 3.37Å; Q101-S103 PolarHBondContact O-N 3.02Å |
| 102 | G | 51.4 | Low | 55.9 | Low | 30 Ų | 30 | 92.8 Ų | 92.8 | 31% | 0.309 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | 5.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115 | W98 R104 | W98-G102 WeakPolarHBondContact O-CA 3.29Å; W98-G102 PolarHBondContact O-N 3.14Å; G102-R104 PolarHBondContact O-N 2.96Å |
| 103 | S | 52.7 | Low | 55.1 | Low | 49 Ų | 49 | 96.7 Ų | 96.7 | 34% | 0.343 | 54% | 0.539 | S | S | . | . | trans | -74 | 82.5 | 159.9 | 54.5 | 0 | 0 | 0 | 0 | 108.9 | H100 Q101 | H100-S103 PolarHBondContact O-OG 3.49Å; Q101-S103 PolarHBondContact O-N 3.02Å | ||
| 104 | R | 46.8 | Very low | 53.9 | Low | 178 Ų | 178 | 103.9 Ų | 103.9 | 67% | 0.672 | 55% | 0.554 | S | S | * | * | trans | -36.6 | 138.1 | 162 | -147.1 | -179.5 | -179 | -147.6 | 0.7 | 109.3 | G102 G106 Y107 | G102-R104 PolarHBondContact O-N 2.96Å; R104-G106 PolarHBondContact O-N 3.09Å; R104-Y107 HydrophobicContact CB-CD2 4.07Å; R104-Y107 PolarHBondContact O-N 2.59Å | ||
| 105 | P | 46.1 | Very low | 52.6 | Low | 136 Ų | 136 | 110.4 Ų | 110.4 | 88% | 0.883 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53 | 111.9 | 175.6 | 19.9 | -30.5 | 0 | 0 | 0 | 109.2 | ||
| 106 | G | 49 | Very low | 51.1 | Low | 80 Ų | 80 | 121.4 Ų | 121.4 | 83% | 0.825 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 125.8 | -10.6 | -173.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | R104 | R104-G106 PolarHBondContact O-N 3.09Š|
| 107 | Y | 47.8 | Very low | 50.3 | Low | 91 Ų | 91 | 123.4 Ų | 123.4 | 36% | 0.357 | 63% | 0.627 | S | S | . | * | trans | -105 | 124.1 | 173.2 | -75.5 | -95.8 | 0 | 0 | 0 | 111 | P62 R104 S109 | P62-Y107 HydrophobicContact CB-CD1 4.48Å; P62-Y107 HydrophobicContact CB-CE1 3.76Å; P62-Y107 HydrophobicContact CG-CE1 3.89Å; R104-Y107 HydrophobicContact CB-CD2 4.07Å; R104-Y107 PolarHBondContact O-N 2.59Å; Y107-S109 PolarHBondContact O-N 2.8Å | ||
| 108 | L | 46.8 | Very low | 49.4 | Very low | 160 Ų | 160 | 125.4 Ų | 125.4 | 84% | 0.838 | 64% | 0.637 | S | S | * | * | trans | -64.7 | 125.5 | 170.9 | -78 | 162 | 0 | 0 | 0 | 108.4 | T110 | L108-T110 VanDerWaalsContact C-N 3.34Å; L108-T110 PolarHBondContact O-N 2.93Å | ||
| 109 | S | 46 | Very low | 48.4 | Very low | 77 Ų | 77 | 123.6 Ų | 123.6 | 54% | 0.538 | 64% | 0.639 | S | S | . | * | trans | -64.2 | 95.1 | 170.5 | -172.9 | 0 | 0 | 0 | 0 | 108.7 | Y107 | Y107-S109 PolarHBondContact O-N 2.8Š| ||
| 110 | T | 47.8 | Very low | 47.4 | Very low | 88 Ų | 88 | 128.8 Ų | 128.8 | 54% | 0.54 | 67% | 0.666 | S | S | . | * | trans | -80.4 | -8.9 | 177.9 | 50.7 | 0 | 0 | 0 | 0 | 112.2 | E66 L108 S112 | E66-T110 WeakPolarHBondContact OE1-CB 3.41Å; E66-T110 WeakPolarHBondContact OE1-CG2 3.37Å; E66-T110 PolarHBondContact OE1-OG1 3.1Å; L108-T110 VanDerWaalsContact C-N 3.34Å; L108-T110 PolarHBondContact O-N 2.93Å; T110-S112 PolarHBondContact O-N 3.29Å | ||
| 111 | V | 42.7 | Very low | 46.5 | Very low | 86 Ų | 86 | 130.8 Ų | 130.8 | 52% | 0.521 | 68% | 0.68 | S | S | . | * | trans | -86 | 78.8 | 177.9 | -161.9 | 0 | 0 | 0 | 0 | 110.1 | L113 | V111-L113 VanDerWaalsContact C-N 3.25Å; V111-L113 HydrophobicContact CG1-CD1 4.31Å; V111-L113 HydrophobicContact CG1-CG 4.07Å; V111-L113 PolarHBondContact O-N 3.04Å | ||
| 112 | S | 42.8 | Very low | 45.5 | Very low | 112 Ų | 112 | 130.1 Ų | 130.1 | 78% | 0.783 | 68% | 0.681 | S | S | * | * | trans | -70.9 | 87.1 | 156.4 | -84.7 | 0 | 0 | 0 | 0 | 108.7 | T110 R114 | T110-S112 PolarHBondContact O-N 3.29Å; S112-R114 VanDerWaalsContact C-N 3.29Å; S112-R114 PolarHBondContact O-N 3.35Å | ||
| 113 | L | 47.9 | Very low | 45.1 | Very low | 118 Ų | 118 | 137.2 Ų | 137.2 | 62% | 0.618 | 71% | 0.707 | S | S | * | * | trans | -61 | 94.4 | 163.4 | -92.8 | 153.1 | 0 | 0 | 0 | 108.2 | H100 V111 R115 | H100-L113 VanDerWaalsContact NE2-CD1 3.29Å; H100-L113 WeakPolarHBondContact NE2-CD1 3.16Å; V111-L113 VanDerWaalsContact C-N 3.25Å; V111-L113 HydrophobicContact CG1-CD1 4.31Å; V111-L113 HydrophobicContact CG1-CG 4.07Å; V111-L113 PolarHBondContact O-N 3.04Å; L113-R115 PolarHBondContact O-N 3.16Å; L113-R115 VanDerWaalsContact O-N 3.14Å | ||
| 114 | R | 39.7 | Very low | 44.5 | Very low | 222 Ų | 222 | 144 Ų | 144 | 84% | 0.838 | 74% | 0.735 | S | S | * | * | trans | -57.5 | 117.8 | 160.6 | -82.9 | -173 | 179.7 | 167 | 1.3 | 106.7 | S112 F116 | S112-R114 VanDerWaalsContact C-N 3.29Å; S112-R114 PolarHBondContact O-N 3.35Å; R114-F116 PolarHBondContact O-N 3.42Å | ||
| 115 | R | 37.7 | Very low | 44.3 | Very low | 248 Ų | 248 | 141.2 Ų | 141.2 | 94% | 0.936 | 74% | 0.741 | S | S | * | * | trans | -47.9 | 121.5 | 167.5 | -79.5 | 177.7 | 173.1 | 162.9 | -2.6 | 109.1 | L113 | L113-R115 PolarHBondContact O-N 3.16Å; L113-R115 VanDerWaalsContact O-N 3.14Å | ||
| 116 | F | 37.3 | Very low | 44.1 | Very low | 276 Ų | 276 | 141.6 Ų | 141.6 | 100% | 1.211 | 73% | 0.728 | S | S | * | * | trans | -85 | 0 | 149.3 | -76.6 | -81.9 | 0 | 0 | 0 | 108.6 | R114 | R114-F116 PolarHBondContact O-N 3.42Š|
Retrieved 116 of 116 residues in 60.9 ms
(Link to these results)