| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.8 | Very low | 32.6 | Very low | 247 Ų | 247 | 142.5 Ų | 142.5 | 100% | 1.217 | 87% | 0.865 | S | S | * | * | 0 | 140.2 | 0 | -81.6 | -172.4 | 177 | 0 | 0 | 108.4 | |||||
| 2 | A | 37.7 | Very low | 32.5 | Very low | 111 Ų | 111 | 144.4 Ų | 144.4 | 92% | 0.917 | 87% | 0.865 | S | S | * | * | trans | 76.1 | 94.6 | -171.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 3 | A | 33.7 | Very low | 32.7 | Very low | 103 Ų | 103 | 149.2 Ų | 149.2 | 85% | 0.851 | 87% | 0.868 | S | S | * | * | trans | -101.3 | 136.2 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 4 | N | 31.3 | Very low | 32.4 | Very low | 171 Ų | 171 | 144 Ų | 144 | 91% | 0.914 | 86% | 0.863 | S | S | * | * | trans | -67.2 | 134.1 | 175.4 | -81.3 | -27.1 | 0 | 0 | 0 | 111.3 | ||||
| 5 | C | 29 | Very low | 32.6 | Very low | 126 Ų | 126 | 147.6 Ų | 147.6 | 85% | 0.851 | 86% | 0.863 | S | S | * | * | trans | -102.3 | 101.1 | 173.7 | -146.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 6 | A | 32.5 | Very low | 32.4 | Very low | 93 Ų | 93 | 145.3 Ų | 145.3 | 77% | 0.769 | 86% | 0.857 | S | S | * | * | trans | -90.2 | 124.7 | 168 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 7 | R | 30.9 | Very low | 32.3 | Very low | 231 Ų | 231 | 144.9 Ų | 144.9 | 87% | 0.872 | 86% | 0.856 | S | S | * | * | trans | -105.4 | 108.4 | 167.7 | -81.8 | -173.5 | -178.1 | 167.3 | 1 | 109.3 | ||||
| 8 | V | 30.4 | Very low | 32.3 | Very low | 130 Ų | 130 | 144.6 Ų | 144.6 | 79% | 0.788 | 85% | 0.85 | S | S | * | * | trans | -82.2 | 128.2 | 162 | 175.1 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 9 | V | 32.7 | Very low | 32.1 | Very low | 134 Ų | 134 | 147.7 Ų | 147.7 | 81% | 0.812 | 85% | 0.852 | S | S | * | * | trans | -107.8 | 104 | 170.5 | 177.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 10 | C | 27.3 | Very low | 32 | Very low | 111 Ų | 111 | 145.3 Ų | 145.3 | 75% | 0.75 | 85% | 0.85 | S | S | * | * | trans | -74.3 | 126.3 | 166.2 | -94.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 11 | S | 32.6 | Very low | 32.3 | Very low | 110 Ų | 110 | 144.1 Ų | 144.1 | 77% | 0.769 | 85% | 0.85 | S | S | * | * | trans | -86.5 | 122.8 | 163.1 | 45.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 12 | L | 31.5 | Very low | 31.9 | Very low | 166 Ų | 166 | 137.2 Ų | 137.2 | 87% | 0.869 | 83% | 0.826 | S | S | * | * | trans | -127 | 110.3 | 166.6 | -83.8 | 166.4 | 0 | 0 | 0 | 109 | ||||
| 13 | F | 34.3 | Very low | 32.1 | Very low | 206 Ų | 206 | 138.8 Ų | 138.8 | 90% | 0.904 | 83% | 0.825 | S | S | * | * | trans | -68.8 | 134.5 | 161.7 | -97.5 | -96.1 | 0 | 0 | 0 | 109.1 | ||||
| 14 | G | 29.5 | Very low | 32 | Very low | 77 Ų | 77 | 144.7 Ų | 144.7 | 79% | 0.794 | 83% | 0.825 | S | S | * | * | trans | -142.9 | 118 | 171 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 15 | K | 34.1 | Very low | 32.3 | Very low | 198 Ų | 198 | 141.8 Ų | 141.8 | 86% | 0.861 | 82% | 0.816 | S | S | * | * | trans | -92.3 | 150 | 172.9 | -74.3 | 179.2 | 174.8 | 178.2 | 0 | 110.7 | ||||
| 16 | S | 29.4 | Very low | 32.7 | Very low | 110 Ų | 110 | 142.2 Ų | 142.2 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | trans | 92.9 | 143.6 | 139.1 | 76.6 | 0 | 0 | 0 | 0 | 123 | ||||
| 17 | V | 30.8 | Very low | 33.1 | Very low | 139 Ų | 139 | 143.5 Ų | 143.5 | 84% | 0.842 | 81% | 0.813 | S | S | * | * | trans | 110.8 | 137.7 | 147.5 | -164.1 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 18 | N | 32.3 | Very low | 33.8 | Very low | 139 Ų | 139 | 139.9 Ų | 139.9 | 74% | 0.743 | 81% | 0.81 | S | S | * | * | trans | -86.6 | 170.9 | -163.6 | -69.9 | -34.1 | 0 | 0 | 0 | 117.1 | ||||
| 19 | F | 29.7 | Very low | 34.5 | Very low | 204 Ų | 204 | 141.7 Ų | 141.7 | 90% | 0.895 | 81% | 0.809 | S | S | * | * | trans | 79.3 | 114.9 | 152.4 | -82.6 | -77.2 | 0 | 0 | 0 | 120.4 | ||||
| 20 | A | 30 | Very low | 34.9 | Very low | 99 Ų | 99 | 145 Ų | 145 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | 175.7 | 142.8 | 113.2 | 0 | 0 | 0 | 0 | 0 | 112 | |||||
| 21 | S | 38.8 | Very low | 35.6 | Very low | 122 Ų | 122 | 144.9 Ų | 144.9 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | trans | -75.7 | 135.4 | 177.6 | 49.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 22 | S | 32.1 | Very low | 36.3 | Very low | 102 Ų | 102 | 150.5 Ų | 150.5 | 71% | 0.713 | 82% | 0.817 | S | S | * | * | trans | -160.8 | 111.1 | 158.7 | 161 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 23 | T | 42.2 | Very low | 37.1 | Very low | 144 Ų | 144 | 150.7 Ų | 150.7 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | trans | -66.5 | 121.1 | 172.5 | 33.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 24 | R | 31.6 | Very low | 38.1 | Very low | 226 Ų | 226 | 148.5 Ų | 148.5 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | trans | -145.8 | 151.4 | 164.3 | -77.9 | -162.4 | -179.7 | 177.4 | 0.4 | 110.4 | ||||
| 25 | P | 37.3 | Very low | 39.4 | Very low | 111 Ų | 111 | 149.9 Ų | 149.9 | 72% | 0.721 | 81% | 0.805 | S | S | * | * | trans | -77.9 | 144.1 | -148.1 | 31 | -33.7 | 0 | 0 | 0 | 112.7 | T27 | P25-T27 PolarHBondContact O-N 2.97Š| ||
| 26 | V | 37.5 | Very low | 40.7 | Very low | 134 Ų | 134 | 143.5 Ų | 143.5 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | trans | -63.1 | 103 | 176.4 | 178.2 | 0 | 0 | 0 | 0 | 108.8 | L28 | V26-L28 HydrophobicContact CG1-CG 4.19Š| ||
| 27 | T | 39.9 | Very low | 42.5 | Very low | 121 Ų | 121 | 144.2 Ų | 144.2 | 74% | 0.742 | 80% | 0.796 | S | S | * | * | trans | -96.8 | 110.1 | 160.7 | -28.8 | 0 | 0 | 0 | 0 | 105.4 | P25 Q29 | P25-T27 PolarHBondContact O-N 2.97Å; T27-Q29 PolarHBondContact O-N 3.25Å | ||
| 28 | L | 45.8 | Very low | 44.1 | Very low | 155 Ų | 155 | 143.6 Ų | 143.6 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | trans | -68.2 | 80.6 | 176.3 | -84.9 | 160 | 0 | 0 | 0 | 109.5 | V26 F30 | V26-L28 HydrophobicContact CG1-CG 4.19Å; L28-F30 PolarHBondContact O-N 3.16Å | ||
| 29 | Q | 44.9 | Very low | 46 | Very low | 167 Ų | 167 | 140.9 Ų | 140.9 | 78% | 0.78 | 79% | 0.792 | S | S | * | * | trans | -73.4 | 116.8 | 156.4 | -91.4 | -176.4 | -28.6 | 0 | 0 | 107.3 | T27 C31 | T27-Q29 PolarHBondContact O-N 3.25Å; Q29-C31 PolarHBondContact O-N 3.23Å | ||
| 30 | F | 41.3 | Very low | 48.1 | Very low | 204 Ų | 204 | 139.7 Ų | 139.7 | 90% | 0.895 | 79% | 0.794 | S | S | * | * | trans | -60.1 | 89 | 164.7 | -93.5 | -86.9 | 0 | 0 | 0 | 108.9 | L28 R32 | L28-F30 PolarHBondContact O-N 3.16Å; F30-R32 VanDerWaalsContact C-N 3.31Å; F30-R32 PolarHBondContact O-N 3.26Å | ||
| 31 | C | 42 | Very low | 50.2 | Low | 109 Ų | 109 | 146 Ų | 146 | 74% | 0.736 | 80% | 0.797 | S | S | * | * | trans | -66.8 | 97.6 | 158.3 | -83.6 | 0 | 0 | 0 | 0 | 106.5 | Q29 Q33 | Q29-C31 PolarHBondContact O-N 3.23Å; C31-Q33 VanDerWaalsContact C-N 3.25Å; C31-Q33 PolarHBondContact O-N 3.3Å | ||
| 32 | R | 47.7 | Very low | 52 | Low | 227 Ų | 227 | 151.6 Ų | 151.6 | 86% | 0.857 | 80% | 0.799 | S | S | * | * | trans | -61.6 | 96.3 | 161.4 | -79.3 | -172.9 | 175 | -174.5 | -0.8 | 106.9 | F30 I34 | F30-R32 VanDerWaalsContact C-N 3.31Å; F30-R32 PolarHBondContact O-N 3.26Å; R32-I34 VanDerWaalsContact C-N 3.35Å; R32-I34 PolarHBondContact O-N 2.9Å | ||
| 33 | Q | 47.6 | Very low | 54.4 | Low | 171 Ų | 171 | 156.2 Ų | 156.2 | 80% | 0.799 | 81% | 0.806 | S | S | * | * | trans | -60.6 | 103.5 | 161.7 | -83.2 | -176.5 | -20.9 | 0 | 0 | 106.5 | C31 C35 | C31-Q33 VanDerWaalsContact C-N 3.25Å; C31-Q33 PolarHBondContact O-N 3.3Å; Q33-C35 PolarHBondContact O-N 3Å | ||
| 34 | I | 56.6 | Low | 56.4 | Low | 160 Ų | 160 | 156.9 Ų | 156.9 | 82% | 0.821 | 80% | 0.804 | S | S | * | * | trans | -69.6 | 94.5 | 164.2 | -58.4 | 174.5 | 0 | 0 | 0 | 104.7 | R32 G36 | R32-I34 VanDerWaalsContact C-N 3.35Å; R32-I34 PolarHBondContact O-N 2.9Å; I34-G36 PolarHBondContact O-N 3.28Å | ||
| 35 | C | 55.4 | Low | 58.8 | Low | 105 Ų | 105 | 154.3 Ų | 154.3 | 71% | 0.709 | 81% | 0.807 | S | S | * | * | trans | -63.1 | 88.8 | 167.7 | -73.1 | 0 | 0 | 0 | 0 | 108 | Q33 T37 | Q33-C35 PolarHBondContact O-N 3Å; C35-T37 PolarHBondContact O-N 3.36Å; C35-T37 VanDerWaalsContact O-N 3.09Å | ||
| 36 | G | 62.3 | Low | 60.7 | Low | 65 Ų | 65 | 152 Ų | 152 | 67% | 0.67 | 80% | 0.803 | S | S | * | * | trans | -72.1 | 95.6 | 166.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | I34 P38 | I34-G36 PolarHBondContact O-N 3.28Å; G36-P38 VanDerWaalsContact O-CD 3.27Å; G36-P38 WeakPolarHBondContact O-CD 3.39Å | ||
| 37 | T | 66.2 | Low | 62.6 | Low | 124 Ų | 124 | 151.2 Ų | 151.2 | 76% | 0.761 | 80% | 0.801 | S | S | * | * | trans | -65.1 | 118.3 | 169 | 23.6 | 0 | 0 | 0 | 0 | 108.6 | C35 A39 | C35-T37 PolarHBondContact O-N 3.36Å; C35-T37 VanDerWaalsContact O-N 3.09Å; T37-A39 VanDerWaalsContact C-N 3.3Å; T37-A39 PolarHBondContact O-N 3.49Å | ||
| 38 | P | 64.6 | Low | 64.5 | Low | 126 Ų | 126 | 152.4 Ų | 152.4 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -70.5 | 93.1 | 169.5 | 29 | -31.2 | 0 | 0 | 0 | 107.8 | G36 L40 | G36-P38 VanDerWaalsContact O-CD 3.27Å; G36-P38 WeakPolarHBondContact O-CD 3.39Å; P38-L40 PolarHBondContact O-N 2.91Å | ||
| 39 | A | 71.9 | Confident | 66 | Low | 83 Ų | 83 | 150.7 Ų | 150.7 | 69% | 0.686 | 80% | 0.804 | S | S | * | * | trans | -67.7 | 121.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | T37 R41 | T37-A39 VanDerWaalsContact C-N 3.3Å; T37-A39 PolarHBondContact O-N 3.49Å; A39-R41 PolarHBondContact O-N 3.49Å | ||
| 40 | L | 73.7 | Confident | 67.6 | Low | 178 Ų | 178 | 147.8 Ų | 147.8 | 93% | 0.932 | 80% | 0.8 | S | S | * | * | trans | -57.5 | 106.6 | 170.5 | -78 | 165.7 | 0 | 0 | 0 | 108.5 | P38 | P38-L40 PolarHBondContact O-N 2.91Š| ||
| 41 | R | 74 | Confident | 69.6 | Low | 233 Ų | 233 | 145.6 Ų | 145.6 | 88% | 0.879 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 135 | 172.3 | -67.1 | -169 | -179.5 | -158.1 | 0.8 | 108.5 | A39 K43 | A39-R41 PolarHBondContact O-N 3.49Å; R41-K43 PolarHBondContact O-N 2.99Å |
| 42 | R | 76.8 | Confident | 71.6 | Confident | 238 Ų | 238 | 145.8 Ų | 145.8 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 130.4 | 170.1 | -83.5 | -175.4 | 178.3 | 175.3 | -0.2 | 108.4 | N44 | R42-N44 PolarHBondContact O-N 3.43Š|
| 43 | K | 83.3 | Confident | 73.7 | Confident | 199 Ų | 199 | 137 Ų | 137 | 87% | 0.865 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 130.5 | 170.6 | -67.3 | -178.9 | -179.9 | 178.7 | 0 | 107.2 | R41 L45 | R41-K43 PolarHBondContact O-N 2.99Å; K43-L45 PolarHBondContact O-N 3.18Å |
| 44 | N | 83.2 | Confident | 75.8 | Confident | 158 Ų | 158 | 132.8 Ų | 132.8 | 85% | 0.845 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 136.8 | 172.8 | -65.3 | -18.5 | 0 | 0 | 0 | 108 | R42 | R42-N44 PolarHBondContact O-N 3.43Š|
| 45 | L | 82.9 | Confident | 77.5 | Confident | 172 Ų | 172 | 128.7 Ų | 128.7 | 90% | 0.901 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 144.6 | 167.7 | -67.5 | 171.1 | 0 | 0 | 0 | 108.2 | K43 | K43-L45 PolarHBondContact O-N 3.18Š|
| 46 | G | 76.6 | Confident | 79.4 | Confident | 63 Ų | 63 | 130 Ų | 130 | 65% | 0.649 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 154 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 47 | P | 78.9 | Confident | 80.9 | Confident | 118 Ų | 118 | 130.2 Ų | 130.2 | 77% | 0.766 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 162 | 175.8 | 28 | -34.6 | 0 | 0 | 0 | 111.1 | V49 | P47-V49 PolarHBondContact O-N 3.43Š|
| 48 | T | 79.4 | Confident | 82.3 | Confident | 145 Ų | 145 | 126.4 Ų | 126.4 | 89% | 0.89 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 121.5 | 172.9 | 48.7 | 0 | 0 | 0 | 0 | 110.4 | ||
| 49 | V | 75.6 | Confident | 83.8 | Confident | 120 Ų | 120 | 126.1 Ų | 126.1 | 73% | 0.727 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 148.1 | 179.5 | -176.6 | 0 | 0 | 0 | 0 | 109.1 | P47 | P47-V49 PolarHBondContact O-N 3.43Š|
| 50 | P | 79.8 | Confident | 85 | Confident | 106 Ų | 106 | 127.9 Ų | 127.9 | 69% | 0.688 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 141.4 | 171.2 | -24 | 34.3 | 0 | 0 | 0 | 111.5 | T52 | P50-T52 PolarHBondContact O-N 2.99Š|
| 51 | E | 82.5 | Confident | 86.1 | Confident | 158 Ų | 158 | 121.9 Ų | 121.9 | 74% | 0.738 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 124.3 | 175.9 | -66 | -179.3 | -179.6 | 0 | 0 | 109.9 | F53 | E51-F53 HydrophobicContact CB-CE1 4.35Å; E51-F53 HydrophobicContact CB-CZ 4.02Å |
| 52 | T | 85.5 | Confident | 87.2 | Confident | 112 Ų | 112 | 112.2 Ų | 112.2 | 69% | 0.687 | 60% | 0.601 | S | S | * | * | trans | -110.8 | 135.3 | 177.8 | 47.4 | 0 | 0 | 0 | 0 | 108.6 | P50 | P50-T52 PolarHBondContact O-N 2.99Š| ||
| 53 | F | 90.9 | Very high | 88.2 | Confident | 42 Ų | 42 | 106.4 Ų | 106.4 | 18% | 0.184 | 58% | 0.584 | C | S | . | * | trans | -111.2 | 110.6 | -175 | -57.1 | -63.2 | 0 | 0 | 0 | 108.3 | E51 F57 I58 F116 Q119 | E51-F53 HydrophobicContact CB-CE1 4.35Å; E51-F53 HydrophobicContact CB-CZ 4.02Å; F53-F57 HydrophobicContact CB-CD1 4.07Å; F53-F57 AromaticContact CD1-CD1 3.72Å; F53-F57 HydrophobicContact CD1-CD1 3.72Å; F53-F57 AromaticContact CD1-CE1 3.48Å; F53-F57 HydrophobicContact CD1-CE1 3.48Å; F53-F57 VanDerWaalsContact CD1-CE1 3.48Å; F53-F57 HydrophobicContact CD1-CZ 4.28Å; F53-F57 HydrophobicContact CE1-CE1 4.06Å; F53-F57 HydrophobicContact CG-CD1 4.29Å; F53-F57 HydrophobicContact CG-CE1 4.32Å; F53-I58 HydrophobicContact CB-CD1 4.05Å; F53-I58 HydrophobicContact CB-CG1 4.37Å; F53-F116 HydrophobicContact CD1-CD1 4.09Å; F53-F116 HydrophobicContact CD1-CE1 4.13Å; F53-F116 HydrophobicContact CD2-CB 4.44Å; F53-F116 AromaticContact CD2-CD1 3.9Å; F53-F116 HydrophobicContact CD2-CD1 3.9Å; F53-F116 HydrophobicContact CD2-CG 4.5Å; F53-F116 AromaticContact CE1-CD1 3.86Å; F53-F116 HydrophobicContact CE1-CD1 3.86Å; F53-F116 AromaticContact CE1-CE1 3.73Å; F53-F116 HydrophobicContact CE1-CE1 3.73Å; F53-F116 AromaticContact CE2-CD1 3.7Å; F53-F116 HydrophobicContact CE2-CD1 3.7Å; F53-F116 HydrophobicContact CE2-CE1 4.37Å; F53-F116 HydrophobicContact CG-CD1 4.12Å; F53-F116 AromaticContact CZ-CD1 3.68Å; F53-F116 HydrophobicContact CZ-CD1 3.68Å; F53-F116 AromaticContact CZ-CE1 3.89Å; F53-F116 HydrophobicContact CZ-CE1 3.89Å; F53-Q119 VanDerWaalsContact CD2-NE2 3.26Å; F53-Q119 PolarHBondContact O-OE1 3.21Å | ||
| 54 | T | 91.9 | Very high | 88.9 | Confident | 83 Ų | 83 | 102.2 Ų | 102.2 | 51% | 0.509 | 57% | 0.567 | S | S | . | * | trans | -71.2 | 156 | 176.3 | 57 | 0 | 0 | 0 | 0 | 110.5 | E56 F57 I58 | T54-E56 PolarHBondContact O-N 3.31Å; T54-F57 WeakPolarHBondContact O-CB 3.37Å; T54-F57 PolarHBondContact O-N 3.02Å; T54-F57 WeakPolarHBondContact OG1-CB 3.3Å; T54-F57 PolarHBondContact OG1-N 3.33Å; T54-I58 PolarHBondContact O-N 2.75Å; T54-I58 VanDerWaalsContact O-N 3.09Å | ||
| 55 | A | 92.2 | Very high | 89.6 | Confident | 74 Ų | 74 | 95.9 Ų | 95.9 | 61% | 0.612 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -57.8 | -39.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | F57 I58 Q59 | A55-F57 VanDerWaalsContact C-N 3.33Å; A55-F57 PolarHBondContact O-N 3.19Å; A55-I58 PolarHBondContact O-N 3.17Å; A55-Q59 WeakPolarHBondContact O-CG 3.36Å; A55-Q59 PolarHBondContact O-N 3.5Å |
| 56 | E | 94.2 | Very high | 90.2 | Very high | 133 Ų | 133 | 92.7 Ų | 92.7 | 62% | 0.621 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.2 | -38.1 | 175.1 | -62.5 | 178.7 | -177.8 | 0 | 0 | 112.5 | T54 Q59 K60 | T54-E56 PolarHBondContact O-N 3.31Å; E56-Q59 PolarHBondContact O-N 2.91Å; E56-K60 WeakPolarHBondContact O-CG 3.3Å; E56-K60 PolarHBondContact O-N 3.21Å |
| 57 | F | 94.5 | Very high | 91.2 | Very high | 70 Ų | 70 | 94 Ų | 94 | 31% | 0.307 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.7 | -46 | 175.1 | 173 | -94.7 | 0 | 0 | 0 | 110.9 | F53 T54 A55 Q59 K60 Q61 F116 | F53-F57 HydrophobicContact CB-CD1 4.07Å; F53-F57 AromaticContact CD1-CD1 3.72Å; F53-F57 HydrophobicContact CD1-CD1 3.72Å; F53-F57 AromaticContact CD1-CE1 3.48Å; F53-F57 HydrophobicContact CD1-CE1 3.48Å; F53-F57 VanDerWaalsContact CD1-CE1 3.48Å; F53-F57 HydrophobicContact CD1-CZ 4.28Å; F53-F57 HydrophobicContact CE1-CE1 4.06Å; F53-F57 HydrophobicContact CG-CD1 4.29Å; F53-F57 HydrophobicContact CG-CE1 4.32Å; T54-F57 WeakPolarHBondContact O-CB 3.37Å; T54-F57 PolarHBondContact O-N 3.02Å; T54-F57 WeakPolarHBondContact OG1-CB 3.3Å; T54-F57 PolarHBondContact OG1-N 3.33Å; A55-F57 VanDerWaalsContact C-N 3.33Å; A55-F57 PolarHBondContact O-N 3.19Å; F57-Q59 VanDerWaalsContact C-N 3.32Å; F57-Q59 PolarHBondContact O-N 2.96Å; F57-K60 PolarHBondContact O-N 2.97Å; F57-Q61 HydrophobicContact CD1-CG 4.2Å; F57-Q61 HydrophobicContact CE1-CG 3.74Å; F57-Q61 HydrophobicContact CE2-CG 4.17Å; F57-Q61 HydrophobicContact CZ-CG 3.72Å; F57-Q61 WeakPolarHBondContact O-CG 3.39Å; F57-Q61 PolarHBondContact O-N 3.35Å; F57-F116 AromaticContact CE1-CE1 3.94Å; F57-F116 HydrophobicContact CE1-CE1 3.94Å; F57-F116 HydrophobicContact CE1-CE2 4.21Å; F57-F116 AromaticContact CE1-CZ 3.72Å; F57-F116 HydrophobicContact CE1-CZ 3.72Å; F57-F116 HydrophobicContact CZ-CE1 4.46Å; F57-F116 HydrophobicContact CZ-CZ 4.12Å |
| 58 | I | 94.8 | Very high | 92.1 | Very high | 43 Ų | 43 | 89.5 Ų | 89.5 | 22% | 0.221 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -61.9 | -41 | 177.7 | -61.5 | -62.7 | 0 | 0 | 0 | 111.1 | F53 T54 A55 Q61 V62 F116 | F53-I58 HydrophobicContact CB-CD1 4.05Å; F53-I58 HydrophobicContact CB-CG1 4.37Å; T54-I58 PolarHBondContact O-N 2.75Å; T54-I58 VanDerWaalsContact O-N 3.09Å; A55-I58 PolarHBondContact O-N 3.17Å; I58-Q61 PolarHBondContact O-N 2.92Å; I58-V62 WeakPolarHBondContact O-CG2 3.4Å; I58-V62 PolarHBondContact O-N 3.48Å; I58-F116 HydrophobicContact CD1-CB 3.97Å; I58-F116 HydrophobicContact CD1-CD2 3.65Å; I58-F116 HydrophobicContact CD1-CE2 4.34Å; I58-F116 HydrophobicContact CD1-CG 3.84Å |
| 59 | Q | 96.2 | Very high | 93 | Very high | 121 Ų | 121 | 85.3 Ų | 85.3 | 57% | 0.565 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -59.6 | -46.9 | 175.8 | -74.1 | 172.1 | -6.6 | 0 | 0 | 112 | A55 E56 F57 Q61 V62 E63 | A55-Q59 WeakPolarHBondContact O-CG 3.36Å; A55-Q59 PolarHBondContact O-N 3.5Å; E56-Q59 PolarHBondContact O-N 2.91Å; F57-Q59 VanDerWaalsContact C-N 3.32Å; F57-Q59 PolarHBondContact O-N 2.96Å; Q59-Q61 VanDerWaalsContact C-N 3.31Å; Q59-Q61 PolarHBondContact O-N 3.44Å; Q59-V62 WeakPolarHBondContact O-CB 3.4Å; Q59-V62 PolarHBondContact O-N 3.39Å; Q59-V62 VanDerWaalsContact O-N 3.08Å; Q59-E63 PolarHBondContact O-N 3.45Å |
| 60 | K | 97.3 | Very high | 94 | Very high | 120 Ų | 120 | 86.3 Ų | 86.3 | 52% | 0.522 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -59.4 | -41.8 | 175.4 | -71.1 | 174.4 | -178.5 | 179.4 | 0 | 112.3 | E56 F57 V62 E63 E64 | E56-K60 WeakPolarHBondContact O-CG 3.3Å; E56-K60 PolarHBondContact O-N 3.21Å; F57-K60 PolarHBondContact O-N 2.97Å; K60-V62 VanDerWaalsContact C-N 3.28Å; K60-V62 PolarHBondContact O-N 3.15Å; K60-E63 PolarHBondContact O-N 3.43Å; K60-E64 WeakPolarHBondContact O-CG 3.43Å; K60-E64 PolarHBondContact O-N 2.98Å |
| 61 | Q | 97.3 | Very high | 94.9 | Very high | 51 Ų | 51 | 86.5 Ų | 86.5 | 24% | 0.238 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -64.9 | -31.8 | 176.6 | -68.3 | -61 | -66.2 | 0 | 0 | 112.6 | F57 I58 Q59 E64 F65 P112 F116 | F57-Q61 HydrophobicContact CD1-CG 4.2Å; F57-Q61 HydrophobicContact CE1-CG 3.74Å; F57-Q61 HydrophobicContact CE2-CG 4.17Å; F57-Q61 HydrophobicContact CZ-CG 3.72Å; F57-Q61 WeakPolarHBondContact O-CG 3.39Å; F57-Q61 PolarHBondContact O-N 3.35Å; I58-Q61 PolarHBondContact O-N 2.92Å; Q59-Q61 VanDerWaalsContact C-N 3.31Å; Q59-Q61 PolarHBondContact O-N 3.44Å; Q61-E64 PolarHBondContact NE2-OE2 3.08Å; Q61-F65 VanDerWaalsContact O-CB 3.29Å; Q61-F65 WeakPolarHBondContact O-CB 3.43Å; Q61-F65 PolarHBondContact O-N 2.99Å; Q61-P112 HydrophobicContact CB-CB 4.14Å; Q61-P112 HydrophobicContact CB-CG 3.77Å; Q61-F116 HydrophobicContact CB-CE2 4.35Å; Q61-F116 HydrophobicContact CG-CE2 4.11Å; Q61-F116 HydrophobicContact CG-CZ 4.37Å |
| 62 | V | 97.5 | Very high | 95.6 | Very high | 30 Ų | 30 | 79.4 Ų | 79.4 | 18% | 0.182 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -67.9 | -46.2 | 174.5 | 171.7 | 0 | 0 | 0 | 0 | 110.1 | I58 Q59 K60 E64 F65 E66 P112 | I58-V62 WeakPolarHBondContact O-CG2 3.4Å; I58-V62 PolarHBondContact O-N 3.48Å; Q59-V62 WeakPolarHBondContact O-CB 3.4Å; Q59-V62 PolarHBondContact O-N 3.39Å; Q59-V62 VanDerWaalsContact O-N 3.08Å; K60-V62 VanDerWaalsContact C-N 3.28Å; K60-V62 PolarHBondContact O-N 3.15Å; V62-E64 PolarHBondContact O-N 3.01Å; V62-F65 WeakPolarHBondContact O-CB 3.31Å; V62-F65 PolarHBondContact O-N 2.98Å; V62-E66 WeakPolarHBondContact O-CG 3.41Å; V62-E66 PolarHBondContact O-N 3.01Å; V62-P112 HydrophobicContact CG2-CB 4.23Å; V62-P112 HydrophobicContact CG2-CG 3.83Å |
| 63 | E | 97.6 | Very high | 96.2 | Very high | 116 Ų | 116 | 74 Ų | 74 | 54% | 0.542 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -59.7 | -46.4 | 176 | -66.9 | 172.6 | -174.3 | 0 | 0 | 111.6 | Q59 K60 F65 E66 I67 | Q59-E63 PolarHBondContact O-N 3.45Å; K60-E63 PolarHBondContact O-N 3.43Å; E63-F65 VanDerWaalsContact C-N 3.32Å; E63-F65 PolarHBondContact O-N 3.16Å; E63-E66 PolarHBondContact O-N 2.97Å; E63-I67 WeakPolarHBondContact O-CD1 3.31Å; E63-I67 VanDerWaalsContact O-CG1 3.26Å; E63-I67 WeakPolarHBondContact O-CG1 3.46Å; E63-I67 PolarHBondContact O-N 3.4Å |
| 64 | E | 97.9 | Very high | 96.5 | Very high | 111 Ų | 111 | 78 Ų | 78 | 52% | 0.519 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.3 | -40.3 | 175.7 | -74.3 | 173.4 | -166.2 | 0 | 0 | 112.1 | K60 Q61 V62 G68 | K60-E64 WeakPolarHBondContact O-CG 3.43Å; K60-E64 PolarHBondContact O-N 2.98Å; Q61-E64 PolarHBondContact NE2-OE2 3.08Å; V62-E64 PolarHBondContact O-N 3.01Å; E64-G68 PolarHBondContact O-N 3.02Å |
| 65 | F | 97.6 | Very high | 96.8 | Very high | 25 Ų | 25 | 80.1 Ų | 80.1 | 11% | 0.11 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -64.6 | -44.4 | 176.2 | 172.9 | -98.4 | 0 | 0 | 0 | 112 | Q61 V62 E63 G68 K69 I88 M109 K110 H111 | Q61-F65 VanDerWaalsContact O-CB 3.29Å; Q61-F65 WeakPolarHBondContact O-CB 3.43Å; Q61-F65 PolarHBondContact O-N 2.99Å; V62-F65 WeakPolarHBondContact O-CB 3.31Å; V62-F65 PolarHBondContact O-N 2.98Å; E63-F65 VanDerWaalsContact C-N 3.32Å; E63-F65 PolarHBondContact O-N 3.16Å; F65-G68 PolarHBondContact O-N 2.92Å; F65-K69 VanDerWaalsContact O-CB 3.29Å; F65-K69 WeakPolarHBondContact O-CB 3.43Å; F65-K69 PolarHBondContact O-N 2.84Å; F65-I88 HydrophobicContact CE2-CD1 4.49Å; F65-I88 HydrophobicContact CZ-CD1 4.1Å; F65-M109 HydrophobicContact CD2-CE 3.67Å; F65-M109 HydrophobicContact CD2-CG 3.97Å; F65-M109 HydrophobicContact CE2-CE 3.87Å; F65-M109 HydrophobicContact CE2-CG 3.98Å; F65-M109 HydrophobicContact CG-CE 4.46Å; F65-M109 WeakPolarHBondContact O-CE 3.47Å; F65-K110 WeakPolarHBondContact CD2-O 3.35Å; F65-H111 HydrophobicContact CE1-CB 4.35Å; F65-H111 HydrophobicContact CZ-CB 4.47Å |
| 66 | E | 96.5 | Very high | 97 | Very high | 105 Ų | 105 | 79.4 Ų | 79.4 | 49% | 0.491 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65 | -41.8 | 178.5 | -72.4 | 179.6 | -178.3 | 0 | 0 | 112.2 | V62 E63 K69 R70 | V62-E66 WeakPolarHBondContact O-CG 3.41Å; V62-E66 PolarHBondContact O-N 3.01Å; E63-E66 PolarHBondContact O-N 2.97Å; E66-K69 WeakPolarHBondContact O-CB 3.48Å; E66-K69 PolarHBondContact O-N 3.38Å; E66-R70 PolarHBondContact O-N 3.07Å |
| 67 | I | 97.7 | Very high | 97.1 | Very high | 92 Ų | 92 | 76.4 Ų | 76.4 | 47% | 0.472 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.1 | -47.9 | 174.5 | -66.6 | 165.1 | 0 | 0 | 0 | 110 | E63 K69 R70 H71 | E63-I67 WeakPolarHBondContact O-CD1 3.31Å; E63-I67 VanDerWaalsContact O-CG1 3.26Å; E63-I67 WeakPolarHBondContact O-CG1 3.46Å; E63-I67 PolarHBondContact O-N 3.4Å; I67-K69 VanDerWaalsContact C-N 3.27Å; I67-K69 PolarHBondContact O-N 3.29Å; I67-R70 PolarHBondContact O-N 3.44Å; I67-H71 PolarHBondContact O-CD2 3.4Å; I67-H71 VanDerWaalsContact O-CD2 3.23Å; I67-H71 PolarHBondContact O-N 2.95Å |
| 68 | G | 97.3 | Very high | 97.2 | Very high | 23 Ų | 23 | 77.2 Ų | 77.2 | 24% | 0.237 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -58.8 | -38.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | E64 F65 R70 H71 L72 | E64-G68 PolarHBondContact O-N 3.02Å; F65-G68 PolarHBondContact O-N 2.92Å; G68-R70 PolarHBondContact O-N 3.04Å; G68-H71 PolarHBondContact O-N 3.26Å; G68-L72 WeakPolarHBondContact O-CB 3.44Å; G68-L72 PolarHBondContact O-N 3.33Å |
| 69 | K | 97.6 | Very high | 97.3 | Very high | 56 Ų | 56 | 81.2 Ų | 81.2 | 24% | 0.243 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -61.4 | -45.8 | 178.4 | -179.5 | -174.4 | 175.4 | -174.6 | 0 | 110.8 | F65 E66 I67 L72 A73 F83 I88 M109 | F65-K69 VanDerWaalsContact O-CB 3.29Å; F65-K69 WeakPolarHBondContact O-CB 3.43Å; F65-K69 PolarHBondContact O-N 2.84Å; E66-K69 WeakPolarHBondContact O-CB 3.48Å; E66-K69 PolarHBondContact O-N 3.38Å; I67-K69 VanDerWaalsContact C-N 3.27Å; I67-K69 PolarHBondContact O-N 3.29Å; K69-L72 PolarHBondContact O-N 2.66Å; K69-A73 PolarHBondContact O-N 3.38Å; K69-F83 WeakPolarHBondContact CE-O 3.37Å; K69-F83 HydrophobicContact CG-CD1 4Å; K69-F83 PolarHBondContact NZ-O 3.39Å; K69-I88 HydrophobicContact CD-CD1 4.4Å; K69-I88 HydrophobicContact CG-CD1 4.15Å; K69-M109 HydrophobicContact CB-CE 4.34Å |
| 70 | R | 97.4 | Very high | 97.3 | Very high | 142 Ų | 142 | 77.8 Ų | 77.8 | 54% | 0.536 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.2 | -40.5 | 176.6 | -69 | 178.9 | 171.1 | 157.8 | 0.9 | 112.2 | E66 I67 G68 A73 N74 P80 | E66-R70 PolarHBondContact O-N 3.07Å; I67-R70 PolarHBondContact O-N 3.44Å; G68-R70 PolarHBondContact O-N 3.04Å; R70-A73 PolarHBondContact O-N 3.36Å; R70-N74 WeakPolarHBondContact O-CB 3.41Å; R70-N74 PolarHBondContact O-N 3.22Å; R70-P80 HydrophobicContact CG-CB 4.11Å |
| 71 | H | 97.9 | Very high | 97.1 | Very high | 110 Ų | 110 | 79.4 Ų | 79.4 | 51% | 0.509 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.5 | -41.4 | 175.1 | -73.1 | -50.2 | 0 | 0 | 0 | 112.5 | I67 G68 N74 M75 | I67-H71 PolarHBondContact O-CD2 3.4Å; I67-H71 VanDerWaalsContact O-CD2 3.23Å; I67-H71 PolarHBondContact O-N 2.95Å; G68-H71 PolarHBondContact O-N 3.26Å; H71-N74 PolarHBondContact O-N 3.23Å; H71-M75 WeakPolarHBondContact O-CG 3.37Å; H71-M75 PolarHBondContact O-N 3.43Å |
| 72 | L | 97.9 | Very high | 97 | Very high | 8 Ų | 8 | 83.1 Ų | 83.1 | 4% | 0.042 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -62.8 | -45.8 | 177.2 | -174.9 | 58 | 0 | 0 | 0 | 111.5 | G68 K69 N74 M75 M76 F83 I88 I92 L95 M109 | G68-L72 WeakPolarHBondContact O-CB 3.44Å; G68-L72 PolarHBondContact O-N 3.33Å; K69-L72 PolarHBondContact O-N 2.66Å; L72-N74 VanDerWaalsContact C-N 3.34Å; L72-N74 PolarHBondContact O-N 3.4Å; L72-M75 HydrophobicContact CB-CE 4.39Å; L72-M75 HydrophobicContact CD1-CE 3.94Å; L72-M75 PolarHBondContact O-N 3.24Å; L72-M76 HydrophobicContact CD1-CG 4.39Å; L72-M76 WeakPolarHBondContact O-CG 3.39Å; L72-M76 PolarHBondContact O-N 3.41Å; L72-F83 HydrophobicContact CB-CE1 4.3Å; L72-F83 HydrophobicContact CD2-CE1 3.95Å; L72-F83 HydrophobicContact CD2-CZ 4.31Å; L72-F83 HydrophobicContact CG-CE1 3.96Å; L72-F83 HydrophobicContact CG-CZ 4.07Å; L72-I88 HydrophobicContact CD2-CB 4.33Å; L72-I88 HydrophobicContact CD2-CG1 4.32Å; L72-I88 HydrophobicContact CD2-CG2 3.94Å; L72-I92 HydrophobicContact CD2-CD1 4.46Å; L72-I92 HydrophobicContact CD2-CG1 4.21Å; L72-L95 HydrophobicContact CD1-CD1 3.53Å; L72-M109 HydrophobicContact CD2-SD 4.35Å |
| 73 | A | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 81.9 Ų | 81.9 | 0% | 0 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -58.1 | -45.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | K69 R70 M75 M76 G77 E78 P80 F83 | K69-A73 PolarHBondContact O-N 3.38Å; R70-A73 PolarHBondContact O-N 3.36Å; A73-M75 PolarHBondContact O-N 3.02Å; A73-M76 CarbonylContact O-C 3.59Å; A73-M76 PolarHBondContact O-N 3.18Å; A73-G77 PolarHBondContact O-N 2.91Å; A73-E78 PolarHBondContact O-N 3.43Å; A73-P80 HydrophobicContact CB-CB 4.2Å; A73-P80 HydrophobicContact CB-CG 4.13Å; A73-F83 HydrophobicContact CB-CB 4.42Å; A73-F83 HydrophobicContact CB-CD1 4.25Å; A73-F83 HydrophobicContact CB-CD2 4.17Å; A73-F83 HydrophobicContact CB-CE2 4.49Å; A73-F83 HydrophobicContact CB-CG 4.06Å |
| 74 | N | 97.8 | Very high | 96.9 | Very high | 125 Ų | 125 | 79.4 Ų | 79.4 | 67% | 0.668 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -61.4 | -41.4 | 176.5 | -173.8 | 29.1 | 0 | 0 | 0 | 112.9 | R70 H71 L72 M76 G77 | R70-N74 WeakPolarHBondContact O-CB 3.41Å; R70-N74 PolarHBondContact O-N 3.22Å; H71-N74 PolarHBondContact O-N 3.23Å; L72-N74 VanDerWaalsContact C-N 3.34Å; L72-N74 PolarHBondContact O-N 3.4Å; N74-M76 VanDerWaalsContact C-N 3.28Å; N74-M76 PolarHBondContact O-N 3.37Å; N74-G77 PolarHBondContact O-N 2.94Å |
| 75 | M | 97.3 | Very high | 96.9 | Very high | 128 Ų | 128 | 76.8 Ų | 76.8 | 63% | 0.631 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -63.6 | -34.6 | 176.3 | -73.7 | -174 | -68.9 | 0 | 0 | 112.6 | H71 L72 A73 L95 | H71-M75 WeakPolarHBondContact O-CG 3.37Å; H71-M75 PolarHBondContact O-N 3.43Å; L72-M75 HydrophobicContact CB-CE 4.39Å; L72-M75 HydrophobicContact CD1-CE 3.94Å; L72-M75 PolarHBondContact O-N 3.24Å; A73-M75 PolarHBondContact O-N 3.02Å; M75-L95 HydrophobicContact CE-CD1 4.44Å |
| 76 | M | 97.4 | Very high | 96.8 | Very high | 59 Ų | 59 | 83 Ų | 83 | 29% | 0.291 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -87.5 | -9.7 | 179.7 | -60 | -55.5 | -62 | 0 | 0 | 113.3 | L72 A73 N74 E78 Y94 L95 | L72-M76 HydrophobicContact CD1-CG 4.39Å; L72-M76 WeakPolarHBondContact O-CG 3.39Å; L72-M76 PolarHBondContact O-N 3.41Å; A73-M76 CarbonylContact O-C 3.59Å; A73-M76 PolarHBondContact O-N 3.18Å; N74-M76 VanDerWaalsContact C-N 3.28Å; N74-M76 PolarHBondContact O-N 3.37Å; M76-E78 HydrophobicContact CB-CG 4.08Å; M76-Y94 HydrophobicContact CE-CD1 4.13Å; M76-Y94 HydrophobicContact SD-CD1 4.48Å; M76-L95 HydrophobicContact SD-CD1 4.39Å; M76-L95 HydrophobicContact SD-CD2 4.45Å; M76-L95 HydrophobicContact SD-CG 4.39Å |
| 77 | G | 96.7 | Very high | 96.9 | Very high | 69 Ų | 69 | 79.7 Ų | 79.7 | 71% | 0.711 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72 | 27 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | A73 N74 | A73-G77 PolarHBondContact O-N 2.91Å; N74-G77 PolarHBondContact O-N 2.94Å |
| 78 | E | 96.5 | Very high | 96.9 | Very high | 88 Ų | 88 | 75.4 Ų | 75.4 | 41% | 0.411 | 39% | 0.394 | S | S | . | . | trans | -104 | 159.1 | -179.7 | -62.2 | -77.7 | -164.5 | 0 | 0 | 111.1 | A73 M76 P80 F83 R90 | A73-E78 PolarHBondContact O-N 3.43Å; M76-E78 HydrophobicContact CB-CG 4.08Å; E78-P80 WeakPolarHBondContact O-CD 3.3Å; E78-F83 HydrophobicContact CB-CD2 3.91Å; E78-F83 HydrophobicContact CB-CE2 4Å; E78-F83 HydrophobicContact CG-CD2 4.46Å; E78-F83 HydrophobicContact CG-CE2 4.15Å; E78-R90 IonicContact OE1-NH2 3.69Å; E78-R90 PolarHBondContact OE1-NH2 3.44Å | ||
| 79 | D | 96.4 | Very high | 96.9 | Very high | 126 Ų | 126 | 77.6 Ų | 77.6 | 67% | 0.674 | 40% | 0.401 | S | S | * | . | trans | -72 | 123.5 | 178 | -73.7 | -30.6 | 0 | 0 | 0 | 111.7 | E81 N82 F83 | D79-E81 VanDerWaalsContact C-N 3.29Å; D79-E81 PolarHBondContact O-N 2.93Å; D79-N82 PolarHBondContact O-N 3.48Å; D79-F83 PolarHBondContact O-N 3.17Å | ||
| 80 | P | 95.6 | Very high | 96.9 | Very high | 49 Ų | 49 | 81.5 Ų | 81.5 | 32% | 0.318 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -62.1 | -31.1 | -174.3 | -25.2 | 33.7 | 0 | 0 | 0 | 115.4 | R70 A73 E78 | R70-P80 HydrophobicContact CG-CB 4.11Å; A73-P80 HydrophobicContact CB-CB 4.2Å; A73-P80 HydrophobicContact CB-CG 4.13Å; E78-P80 WeakPolarHBondContact O-CD 3.3Å |
| 81 | E | 93.6 | Very high | 96.9 | Very high | 155 Ų | 155 | 74.8 Ų | 74.8 | 72% | 0.724 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -76.7 | -38.7 | -175.7 | -61.5 | -58 | 140.4 | 0 | 0 | 111.8 | D79 F83 | D79-E81 VanDerWaalsContact C-N 3.29Å; D79-E81 PolarHBondContact O-N 2.93Å; E81-F83 VanDerWaalsContact C-N 3.28Å; E81-F83 PolarHBondContact O-N 2.85Å |
| 82 | N | 95.9 | Very high | 96.9 | Very high | 128 Ų | 128 | 70.1 Ų | 70.1 | 68% | 0.684 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -87.7 | 4 | 178.6 | -167.5 | 54.7 | 0 | 0 | 0 | 113.1 | D79 T84 | D79-N82 PolarHBondContact O-N 3.48Å; N82-T84 PolarHBondContact O-N 2.87Å |
| 83 | F | 96 | Very high | 96.9 | Very high | 5 Ų | 5 | 72.8 Ų | 72.8 | 2% | 0.022 | 39% | 0.39 | C | S | . | . | trans | -73.3 | 110.5 | -175.7 | -158.1 | -118.8 | 0 | 0 | 0 | 110.8 | K69 L72 A73 E78 D79 E81 D87 I88 | K69-F83 WeakPolarHBondContact CE-O 3.37Å; K69-F83 HydrophobicContact CG-CD1 4Å; K69-F83 PolarHBondContact NZ-O 3.39Å; L72-F83 HydrophobicContact CB-CE1 4.3Å; L72-F83 HydrophobicContact CD2-CE1 3.95Å; L72-F83 HydrophobicContact CD2-CZ 4.31Å; L72-F83 HydrophobicContact CG-CE1 3.96Å; L72-F83 HydrophobicContact CG-CZ 4.07Å; A73-F83 HydrophobicContact CB-CB 4.42Å; A73-F83 HydrophobicContact CB-CD1 4.25Å; A73-F83 HydrophobicContact CB-CD2 4.17Å; A73-F83 HydrophobicContact CB-CE2 4.49Å; A73-F83 HydrophobicContact CB-CG 4.06Å; E78-F83 HydrophobicContact CB-CD2 3.91Å; E78-F83 HydrophobicContact CB-CE2 4Å; E78-F83 HydrophobicContact CG-CD2 4.46Å; E78-F83 HydrophobicContact CG-CE2 4.15Å; D79-F83 PolarHBondContact O-N 3.17Å; E81-F83 VanDerWaalsContact C-N 3.28Å; E81-F83 PolarHBondContact O-N 2.85Å; F83-D87 HydrophobicContact CD2-CB 3.73Å; F83-D87 HydrophobicContact CE2-CB 3.51Å; F83-D87 HydrophobicContact CG-CB 4.35Å; F83-D87 HydrophobicContact CZ-CB 3.97Å; F83-I88 HydrophobicContact CD1-CD1 4.31Å; F83-I88 HydrophobicContact CD1-CG1 3.59Å; F83-I88 HydrophobicContact CE1-CB 4.25Å; F83-I88 HydrophobicContact CE1-CD1 4.44Å; F83-I88 HydrophobicContact CE1-CG1 3.33Å; F83-I88 HydrophobicContact CZ-CG1 4.31Å | ||
| 84 | T | 97 | Very high | 96.9 | Very high | 64 Ų | 64 | 80.9 Ų | 80.9 | 39% | 0.393 | 42% | 0.422 | S | S | . | . | trans | -88 | 169 | -177 | 70.2 | 0 | 0 | 0 | 0 | 112.1 | N82 E86 D87 I88 | N82-T84 PolarHBondContact O-N 2.87Å; T84-E86 PolarHBondContact O-N 3.13Å; T84-D87 WeakPolarHBondContact CB-OD2 3.5Å; T84-D87 PolarHBondContact N-OD2 3.15Å; T84-D87 PolarHBondContact O-N 3.04Å; T84-D87 PolarHBondContact OG1-N 3.41Å; T84-D87 PolarHBondContact OG1-OD2 3.29Å; T84-I88 WeakPolarHBondContact O-CG1 3.5Å; T84-I88 PolarHBondContact O-N 3.43Å; T84-I88 VanDerWaalsContact O-N 3.12Å | ||
| 85 | Q | 96.5 | Very high | 96.9 | Very high | 55 Ų | 55 | 77.9 Ų | 77.9 | 26% | 0.257 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64.3 | -29.6 | 175.8 | -174.2 | 61.3 | 45.7 | 0 | 0 | 112.4 | D87 I88 D89 M109 | Q85-D87 VanDerWaalsContact C-N 3.34Å; Q85-I88 WeakPolarHBondContact O-CB 3.49Å; Q85-I88 PolarHBondContact O-N 2.91Å; Q85-D89 PolarHBondContact NE2-OD1 3.31Å; Q85-D89 PolarHBondContact O-N 3.31Å; Q85-M109 PolarHBondContact NE2-O 3.31Å |
| 86 | E | 97.1 | Very high | 96.9 | Very high | 157 Ų | 157 | 77.8 Ų | 77.8 | 73% | 0.734 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -67.3 | -38.4 | 176.2 | -60.8 | -178.2 | 179.2 | 0 | 0 | 111.2 | T84 D89 R90 | T84-E86 PolarHBondContact O-N 3.13Å; E86-D89 PolarHBondContact O-N 3.19Å; E86-R90 WeakPolarHBondContact O-CB 3.46Å; E86-R90 PolarHBondContact O-N 3.35Å |
| 87 | D | 97.4 | Very high | 96.9 | Very high | 35 Ų | 35 | 80 Ų | 80 | 19% | 0.187 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -67.3 | -38.9 | 175.4 | -56.6 | -50.1 | 0 | 0 | 0 | 111.2 | F83 T84 Q85 R90 S91 | F83-D87 HydrophobicContact CD2-CB 3.73Å; F83-D87 HydrophobicContact CE2-CB 3.51Å; F83-D87 HydrophobicContact CG-CB 4.35Å; F83-D87 HydrophobicContact CZ-CB 3.97Å; T84-D87 WeakPolarHBondContact CB-OD2 3.5Å; T84-D87 PolarHBondContact N-OD2 3.15Å; T84-D87 PolarHBondContact O-N 3.04Å; T84-D87 PolarHBondContact OG1-N 3.41Å; T84-D87 PolarHBondContact OG1-OD2 3.29Å; Q85-D87 VanDerWaalsContact C-N 3.34Å; D87-R90 PolarHBondContact O-N 3.21Å; D87-R90 IonicContact OD1-CZ 3.76Å; D87-R90 IonicContact OD1-NH1 3.98Å; D87-R90 IonicContact OD1-NH2 3.89Å; D87-S91 VanDerWaalsContact O-CB 3.25Å; D87-S91 WeakPolarHBondContact O-CB 3.5Å; D87-S91 PolarHBondContact O-N 3.39Å; D87-S91 PolarHBondContact O-OG 2.83Å |
| 88 | I | 97.6 | Very high | 97 | Very high | 2 Ų | 2 | 78.6 Ų | 78.6 | 1% | 0.01 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -58.6 | -52.6 | 172.3 | -66.5 | 168.8 | 0 | 0 | 0 | 110.1 | F65 K69 L72 F83 T84 Q85 R90 S91 I92 M109 | F65-I88 HydrophobicContact CE2-CD1 4.49Å; F65-I88 HydrophobicContact CZ-CD1 4.1Å; K69-I88 HydrophobicContact CD-CD1 4.4Å; K69-I88 HydrophobicContact CG-CD1 4.15Å; L72-I88 HydrophobicContact CD2-CB 4.33Å; L72-I88 HydrophobicContact CD2-CG1 4.32Å; L72-I88 HydrophobicContact CD2-CG2 3.94Å; F83-I88 HydrophobicContact CD1-CD1 4.31Å; F83-I88 HydrophobicContact CD1-CG1 3.59Å; F83-I88 HydrophobicContact CE1-CB 4.25Å; F83-I88 HydrophobicContact CE1-CD1 4.44Å; F83-I88 HydrophobicContact CE1-CG1 3.33Å; F83-I88 HydrophobicContact CZ-CG1 4.31Å; T84-I88 WeakPolarHBondContact O-CG1 3.5Å; T84-I88 PolarHBondContact O-N 3.43Å; T84-I88 VanDerWaalsContact O-N 3.12Å; Q85-I88 WeakPolarHBondContact O-CB 3.49Å; Q85-I88 PolarHBondContact O-N 2.91Å; I88-R90 VanDerWaalsContact C-N 3.32Å; I88-R90 PolarHBondContact O-N 3.44Å; I88-S91 PolarHBondContact O-N 2.98Å; I88-I92 HydrophobicContact CG2-CD1 3.62Å; I88-I92 HydrophobicContact CG2-CG1 4.44Å; I88-I92 WeakPolarHBondContact O-CG1 3.32Å; I88-I92 PolarHBondContact O-N 2.89Å; I88-M109 HydrophobicContact CG2-CB 4.15Å; I88-M109 WeakPolarHBondContact CG2-O 3.17Å; I88-M109 HydrophobicContact CG2-SD 4.5Å |
| 89 | D | 97.4 | Very high | 97 | Very high | 69 Ų | 69 | 78 Ų | 78 | 37% | 0.369 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.6 | -40.8 | -178 | -72.4 | -6.4 | 0 | 0 | 0 | 111.4 | Q85 E86 A93 | Q85-D89 PolarHBondContact NE2-OD1 3.31Å; Q85-D89 PolarHBondContact O-N 3.31Å; E86-D89 PolarHBondContact O-N 3.19Å; D89-A93 WeakPolarHBondContact O-CB 3.25Å; D89-A93 PolarHBondContact O-N 3.23Å |
| 90 | R | 97.6 | Very high | 97 | Very high | 138 Ų | 138 | 76.2 Ų | 76.2 | 52% | 0.521 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.6 | -46.1 | 174.7 | -175.5 | -178.1 | 74.4 | -166.4 | 5.1 | 111.5 | E78 E86 D87 I88 A93 Y94 | E78-R90 IonicContact OE1-NH2 3.69Å; E78-R90 PolarHBondContact OE1-NH2 3.44Å; E86-R90 WeakPolarHBondContact O-CB 3.46Å; E86-R90 PolarHBondContact O-N 3.35Å; D87-R90 PolarHBondContact O-N 3.21Å; D87-R90 IonicContact OD1-CZ 3.76Å; D87-R90 IonicContact OD1-NH1 3.98Å; D87-R90 IonicContact OD1-NH2 3.89Å; I88-R90 VanDerWaalsContact C-N 3.32Å; I88-R90 PolarHBondContact O-N 3.44Å; R90-A93 PolarHBondContact O-N 3.08Å; R90-Y94 PolarHBondContact O-N 2.96Å; R90-Y94 VanDerWaalsContact O-N 3.11Å |
| 91 | S | 97.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 83.6 Ų | 83.6 | 0% | 0 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -65.8 | -41.3 | -178.2 | -56.9 | 0 | 0 | 0 | 0 | 111.3 | D87 I88 Y94 L95 | D87-S91 VanDerWaalsContact O-CB 3.25Å; D87-S91 WeakPolarHBondContact O-CB 3.5Å; D87-S91 PolarHBondContact O-N 3.39Å; D87-S91 PolarHBondContact O-OG 2.83Å; I88-S91 PolarHBondContact O-N 2.98Å; S91-Y94 WeakPolarHBondContact O-CB 3.4Å; S91-Y94 PolarHBondContact O-N 3.23Å; S91-L95 WeakPolarHBondContact O-CG 3.26Å; S91-L95 PolarHBondContact O-N 2.9Å |
| 92 | I | 97.8 | Very high | 97.3 | Very high | 13 Ų | 13 | 81.8 Ų | 81.8 | 7% | 0.067 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -68 | -40.7 | 177 | -69.8 | 170.8 | 0 | 0 | 0 | 111.5 | L72 I88 Y94 L95 F96 P107 M109 | L72-I92 HydrophobicContact CD2-CD1 4.46Å; L72-I92 HydrophobicContact CD2-CG1 4.21Å; I88-I92 HydrophobicContact CG2-CD1 3.62Å; I88-I92 HydrophobicContact CG2-CG1 4.44Å; I88-I92 WeakPolarHBondContact O-CG1 3.32Å; I88-I92 PolarHBondContact O-N 2.89Å; I92-Y94 PolarHBondContact O-N 3.13Å; I92-L95 PolarHBondContact O-N 2.99Å; I92-F96 HydrophobicContact CG2-CD2 4.28Å; I92-F96 CarbonylContact O-C 3.55Å; I92-F96 WeakPolarHBondContact O-CA 3.45Å; I92-F96 PolarHBondContact O-N 3.31Å; I92-P107 HydrophobicContact CG2-CB 3.98Å; I92-M109 HydrophobicContact CD1-CB 3.17Å; I92-M109 HydrophobicContact CD1-CG 4.36Å; I92-M109 HydrophobicContact CD1-SD 4.38Å |
| 93 | A | 97.8 | Very high | 97.3 | Very high | 63 Ų | 63 | 83.3 Ų | 83.3 | 52% | 0.521 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -60.9 | -31.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | D89 R90 P97 | D89-A93 WeakPolarHBondContact O-CB 3.25Å; D89-A93 PolarHBondContact O-N 3.23Å; R90-A93 PolarHBondContact O-N 3.08Å; A93-P97 WeakPolarHBondContact O-CA 3.23Å |
| 94 | Y | 97.8 | Very high | 97.3 | Very high | 170 Ų | 170 | 93.4 Ų | 93.4 | 67% | 0.667 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -76.9 | -49.7 | 175.4 | 175.6 | -104.6 | 0 | 0 | 0 | 112.9 | M76 R90 S91 I92 | M76-Y94 HydrophobicContact CE-CD1 4.13Å; M76-Y94 HydrophobicContact SD-CD1 4.48Å; R90-Y94 PolarHBondContact O-N 2.96Å; R90-Y94 VanDerWaalsContact O-N 3.11Å; S91-Y94 WeakPolarHBondContact O-CB 3.4Å; S91-Y94 PolarHBondContact O-N 3.23Å; I92-Y94 PolarHBondContact O-N 3.13Å |
| 95 | L | 97.9 | Very high | 97.3 | Very high | 62 Ų | 62 | 93.2 Ų | 93.2 | 33% | 0.325 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -70.7 | -37 | -177.3 | -66.6 | 174.7 | 0 | 0 | 0 | 112.5 | L72 M75 M76 S91 I92 P97 | L72-L95 HydrophobicContact CD1-CD1 3.53Å; M75-L95 HydrophobicContact CE-CD1 4.44Å; M76-L95 HydrophobicContact SD-CD1 4.39Å; M76-L95 HydrophobicContact SD-CD2 4.45Å; M76-L95 HydrophobicContact SD-CG 4.39Å; S91-L95 WeakPolarHBondContact O-CG 3.26Å; S91-L95 PolarHBondContact O-N 2.9Å; I92-L95 PolarHBondContact O-N 2.99Å; L95-P97 VanDerWaalsContact C-CD 3.46Å; L95-P97 WeakPolarHBondContact O-CD 3.41Å |
| 96 | F | 97.8 | Very high | 97.3 | Very high | 127 Ų | 127 | 95.5 Ų | 95.5 | 56% | 0.557 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -124.6 | 68.9 | -177.7 | -53.7 | -70.6 | 0 | 0 | 0 | 110.8 | I92 S98 P107 | I92-F96 HydrophobicContact CG2-CD2 4.28Å; I92-F96 CarbonylContact O-C 3.55Å; I92-F96 WeakPolarHBondContact O-CA 3.45Å; I92-F96 PolarHBondContact O-N 3.31Å; F96-S98 PolarHBondContact O-N 3.47Å; F96-P107 HydrophobicContact CB-CB 4.09Å; F96-P107 HydrophobicContact CB-CG 3.96Å |
| 97 | P | 97.3 | Very high | 97.3 | Very high | 106 Ų | 106 | 91.1 Ų | 91.1 | 69% | 0.688 | 46% | 0.461 | S | S | * | . | trans | -67.9 | 109.2 | -175 | 27.7 | -33.8 | 0 | 0 | 0 | 110.7 | A93 L95 | A93-P97 WeakPolarHBondContact O-CA 3.23Å; L95-P97 VanDerWaalsContact C-CD 3.46Å; L95-P97 WeakPolarHBondContact O-CD 3.41Å | ||
| 98 | S | 97.4 | Very high | 97.3 | Very high | 38 Ų | 38 | 93.5 Ų | 93.5 | 27% | 0.266 | 47% | 0.474 | S | S | . | . | trans | -108.7 | 119.2 | 178.8 | -179.1 | 0 | 0 | 0 | 0 | 111.7 | F96 L100 | F96-S98 PolarHBondContact O-N 3.47Å; S98-L100 PolarHBondContact O-N 3.4Å; S98-L100 WeakPolarHBondContact OG-CG 3.49Å | ||
| 99 | G | 96.8 | Very high | 97.2 | Very high | 76 Ų | 76 | 95.6 Ų | 95.6 | 78% | 0.784 | 48% | 0.484 | S | S | * | . | trans | -80.9 | 9.6 | 176 | 0 | 0 | 0 | 0 | 0 | 114.7 | F101 | G99-F101 PolarHBondContact O-N 3.25Š| ||
| 100 | L | 97.5 | Very high | 97.2 | Very high | 89 Ų | 89 | 95.4 Ų | 95.4 | 47% | 0.466 | 48% | 0.48 | S | S | . | . | trans | -64.7 | 133.8 | -178.8 | -65.6 | 176.7 | 0 | 0 | 0 | 111.1 | S98 A105 R106 | S98-L100 PolarHBondContact O-N 3.4Å; S98-L100 WeakPolarHBondContact OG-CG 3.49Å; L100-A105 HydrophobicContact CD1-CB 4.08Å; L100-A105 WeakPolarHBondContact CD1-O 3.33Å; L100-R106 HydrophobicContact CB-CG 4.35Å; L100-R106 VanDerWaalsContact O-CZ 3.26Å; L100-R106 PolarHBondContact O-NE 2.93Å; L100-R106 PolarHBondContact O-NH2 3.36Å | ||
| 101 | F | 97.6 | Very high | 97.2 | Very high | 204 Ų | 204 | 91.8 Ų | 91.8 | 90% | 0.895 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -65.8 | -39.9 | 177.7 | -65.3 | -63.8 | 0 | 0 | 0 | 112 | G99 K103 | G99-F101 PolarHBondContact O-N 3.25Å; F101-K103 PolarHBondContact O-N 3.42Å |
| 102 | E | 97.5 | Very high | 97.1 | Very high | 116 Ų | 116 | 92 Ų | 92 | 54% | 0.542 | 47% | 0.47 | S | S | . | . | trans | -75.6 | 112.8 | 179.3 | -168.7 | 58 | -141.7 | 0 | 0 | 110.1 | R104 A105 | E102-R104 VanDerWaalsContact C-N 3.27Å; E102-R104 HydrophobicContact CG-CB 4.47Å; E102-R104 PolarHBondContact O-N 3.03Å; E102-A105 HydrophobicContact CB-CB 4.3Å; E102-A105 HydrophobicContact CG-CB 4.48Å; E102-A105 PolarHBondContact O-N 3.43Å | ||
| 103 | K | 96.1 | Very high | 96.9 | Very high | 161 Ų | 161 | 95.5 Ų | 95.5 | 70% | 0.7 | 49% | 0.492 | S | S | * | . | G | 310 helix | trans | -64.2 | -32.4 | -175.6 | -66.2 | -175.3 | 179.5 | -176.3 | 0 | 112.6 | F101 A105 R106 | F101-K103 PolarHBondContact O-N 3.42Å; K103-A105 VanDerWaalsContact C-N 3.26Å; K103-A105 PolarHBondContact O-N 2.94Å; K103-R106 WeakPolarHBondContact O-CB 3.1Å; K103-R106 PolarHBondContact O-N 3.48Å |
| 104 | R | 95.4 | Very high | 96.7 | Very high | 216 Ų | 216 | 98 Ų | 98 | 82% | 0.815 | 49% | 0.493 | S | S | * | . | G | 310 helix | trans | -69.5 | -20.9 | 180 | -65.5 | 178.5 | 178.1 | 172.1 | -0.4 | 113.8 | E102 | E102-R104 VanDerWaalsContact C-N 3.27Å; E102-R104 HydrophobicContact CG-CB 4.47Å; E102-R104 PolarHBondContact O-N 3.03Å |
| 105 | A | 96.5 | Very high | 96.6 | Very high | 61 Ų | 61 | 93.8 Ų | 93.8 | 50% | 0.504 | 48% | 0.481 | S | S | . | . | G | 310 helix | trans | -92.6 | -1.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L100 E102 K103 | L100-A105 HydrophobicContact CD1-CB 4.08Å; L100-A105 WeakPolarHBondContact CD1-O 3.33Å; E102-A105 HydrophobicContact CB-CB 4.3Å; E102-A105 HydrophobicContact CG-CB 4.48Å; E102-A105 PolarHBondContact O-N 3.43Å; K103-A105 VanDerWaalsContact C-N 3.26Å; K103-A105 PolarHBondContact O-N 2.94Å |
| 106 | R | 96.8 | Very high | 96.4 | Very high | 102 Ų | 102 | 92.8 Ų | 92.8 | 39% | 0.385 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -76.7 | 155.6 | 176.1 | -62.9 | -180 | -178.8 | -168.6 | -5.3 | 110 | L100 K103 L108 | L100-R106 HydrophobicContact CB-CG 4.35Å; L100-R106 VanDerWaalsContact O-CZ 3.26Å; L100-R106 PolarHBondContact O-NE 2.93Å; L100-R106 PolarHBondContact O-NH2 3.36Å; K103-R106 WeakPolarHBondContact O-CB 3.1Å; K103-R106 PolarHBondContact O-N 3.48Å; R106-L108 PolarHBondContact O-N 2.62Å |
| 107 | P | 97.8 | Very high | 96.1 | Very high | 65 Ų | 65 | 90.9 Ų | 90.9 | 42% | 0.422 | 48% | 0.475 | S | S | . | . | trans | -54.1 | 131.3 | 167.7 | -22.2 | 33.4 | 0 | 0 | 0 | 110.1 | I92 F96 | I92-P107 HydrophobicContact CG2-CB 3.98Å; F96-P107 HydrophobicContact CB-CB 4.09Å; F96-P107 HydrophobicContact CB-CG 3.96Å | ||
| 108 | L | 96.3 | Very high | 95.8 | Very high | 85 Ų | 85 | 92.8 Ų | 92.8 | 45% | 0.445 | 47% | 0.472 | S | S | . | . | trans | -144.2 | 147.1 | 176.9 | 63.6 | 92.8 | 0 | 0 | 0 | 109 | R106 K110 I115 | R106-L108 PolarHBondContact O-N 2.62Å; L108-K110 HydrophobicContact CD1-CB 4.41Å; L108-K110 HydrophobicContact CD1-CD 4.2Å; L108-K110 HydrophobicContact CD1-CG 4.19Å; L108-I115 HydrophobicContact CD1-CD1 4.2Å; L108-I115 HydrophobicContact CD1-CG1 4.33Å | ||
| 109 | M | 96.9 | Very high | 95.5 | Very high | 46 Ų | 46 | 95.1 Ų | 95.1 | 23% | 0.227 | 48% | 0.479 | C | S | . | . | trans | -131.2 | 111.2 | 171.2 | -174 | -173.6 | 154.7 | 0 | 0 | 106.4 | F65 K69 L72 Q85 I88 I92 | F65-M109 HydrophobicContact CD2-CE 3.67Å; F65-M109 HydrophobicContact CD2-CG 3.97Å; F65-M109 HydrophobicContact CE2-CE 3.87Å; F65-M109 HydrophobicContact CE2-CG 3.98Å; F65-M109 HydrophobicContact CG-CE 4.46Å; F65-M109 WeakPolarHBondContact O-CE 3.47Å; K69-M109 HydrophobicContact CB-CE 4.34Å; L72-M109 HydrophobicContact CD2-SD 4.35Å; Q85-M109 PolarHBondContact NE2-O 3.31Å; I88-M109 HydrophobicContact CG2-CB 4.15Å; I88-M109 WeakPolarHBondContact CG2-O 3.17Å; I88-M109 HydrophobicContact CG2-SD 4.5Å; I92-M109 HydrophobicContact CD1-CB 3.17Å; I92-M109 HydrophobicContact CD1-CG 4.36Å; I92-M109 HydrophobicContact CD1-SD 4.38Å | ||
| 110 | K | 96.8 | Very high | 95.2 | Very high | 66 Ų | 66 | 96.1 Ų | 96.1 | 29% | 0.287 | 46% | 0.459 | S | S | . | . | trans | -131.2 | 164.6 | -177.1 | -73.4 | -178.9 | 154.1 | -119.7 | 0 | 109.3 | F65 L108 E114 I115 | F65-K110 WeakPolarHBondContact CD2-O 3.35Å; L108-K110 HydrophobicContact CD1-CB 4.41Å; L108-K110 HydrophobicContact CD1-CD 4.2Å; L108-K110 HydrophobicContact CD1-CG 4.19Å; K110-E114 WeakPolarHBondContact CD-OE2 3.38Å; K110-E114 IonicContact NZ-OE2 3.64Å; K110-E114 PolarHBondContact NZ-OE2 3.41Å; K110-I115 HydrophobicContact CB-CD1 4Å; K110-I115 HydrophobicContact CB-CG1 3.87Å; K110-I115 VanDerWaalsContact O-CD1 3.3Å; K110-I115 WeakPolarHBondContact O-CD1 3.3Å | ||
| 111 | H | 97.2 | Very high | 94.9 | Very high | 61 Ų | 61 | 95.8 Ų | 95.8 | 28% | 0.282 | 47% | 0.469 | S | S | . | . | trans | -58.7 | 137.2 | 173.1 | -170.4 | -96.3 | 0 | 0 | 0 | 110.7 | F65 V113 E114 I115 | F65-H111 HydrophobicContact CE1-CB 4.35Å; F65-H111 HydrophobicContact CZ-CB 4.47Å; H111-V113 VanDerWaalsContact CE1-CG2 3.45Å; H111-V113 WeakPolarHBondContact CE1-CG2 3.29Å; H111-V113 WeakPolarHBondContact ND1-CB 3.31Å; H111-V113 PolarHBondContact ND1-N 3.05Å; H111-V113 PolarHBondContact O-N 3.1Å; H111-E114 PolarHBondContact O-N 3.26Å; H111-I115 PolarHBondContact O-N 3.48Å | ||
| 112 | P | 96.8 | Very high | 94.6 | Very high | 4 Ų | 4 | 91.1 Ų | 91.1 | 3% | 0.026 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -53.3 | -31.3 | -175.8 | -32 | 37.4 | 0 | 0 | 0 | 115 | Q61 V62 E114 I115 F116 | Q61-P112 HydrophobicContact CB-CB 4.14Å; Q61-P112 HydrophobicContact CB-CG 3.77Å; V62-P112 HydrophobicContact CG2-CB 4.23Å; V62-P112 HydrophobicContact CG2-CG 3.83Å; P112-E114 PolarHBondContact O-N 2.6Å; P112-I115 PolarHBondContact O-N 3.49Å; P112-F116 HydrophobicContact CB-CD2 3.89Å; P112-F116 HydrophobicContact CB-CE2 4.07Å; P112-F116 VanDerWaalsContact O-CD2 3.3Å; P112-F116 WeakPolarHBondContact O-CD2 3.39Å; P112-F116 PolarHBondContact O-N 3.46Å |
| 113 | V | 93.5 | Very high | 94.4 | Very high | 88 Ų | 88 | 87.3 Ų | 87.3 | 53% | 0.533 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64.6 | -26 | 177.8 | 176 | 0 | 0 | 0 | 0 | 113 | H111 | H111-V113 VanDerWaalsContact CE1-CG2 3.45Å; H111-V113 WeakPolarHBondContact CE1-CG2 3.29Å; H111-V113 WeakPolarHBondContact ND1-CB 3.31Å; H111-V113 PolarHBondContact ND1-N 3.05Å; H111-V113 PolarHBondContact O-N 3.1Å |
| 114 | E | 93.5 | Very high | 94.4 | Very high | 116 Ų | 116 | 85.8 Ų | 85.8 | 54% | 0.542 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -85.5 | -27.9 | 174.7 | -66 | -175.4 | -161.7 | 0 | 0 | 112.8 | K110 H111 P112 | K110-E114 WeakPolarHBondContact CD-OE2 3.38Å; K110-E114 IonicContact NZ-OE2 3.64Å; K110-E114 PolarHBondContact NZ-OE2 3.41Å; H111-E114 PolarHBondContact O-N 3.26Å; P112-E114 PolarHBondContact O-N 2.6Å |
| 115 | I | 94.5 | Very high | 94.4 | Very high | 81 Ų | 81 | 76.1 Ų | 76.1 | 42% | 0.415 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -83.5 | -52.5 | -176.1 | -61.4 | 178.2 | 0 | 0 | 0 | 110.3 | L108 K110 H111 P112 | L108-I115 HydrophobicContact CD1-CD1 4.2Å; L108-I115 HydrophobicContact CD1-CG1 4.33Å; K110-I115 HydrophobicContact CB-CD1 4Å; K110-I115 HydrophobicContact CB-CG1 3.87Å; K110-I115 VanDerWaalsContact O-CD1 3.3Å; K110-I115 WeakPolarHBondContact O-CD1 3.3Å; H111-I115 PolarHBondContact O-N 3.48Å; P112-I115 PolarHBondContact O-N 3.49Å |
| 116 | F | 93.7 | Very high | 94.4 | Very high | 40 Ų | 40 | 80.3 Ų | 80.3 | 18% | 0.175 | 42% | 0.419 | C | S | . | . | S | Bend | trans | -84.7 | 138.2 | -175.1 | -62.1 | -72.8 | 0 | 0 | 0 | 110.5 | F53 F57 I58 Q61 P112 | F53-F116 HydrophobicContact CD1-CD1 4.09Å; F53-F116 HydrophobicContact CD1-CE1 4.13Å; F53-F116 HydrophobicContact CD2-CB 4.44Å; F53-F116 AromaticContact CD2-CD1 3.9Å; F53-F116 HydrophobicContact CD2-CD1 3.9Å; F53-F116 HydrophobicContact CD2-CG 4.5Å; F53-F116 AromaticContact CE1-CD1 3.86Å; F53-F116 HydrophobicContact CE1-CD1 3.86Å; F53-F116 AromaticContact CE1-CE1 3.73Å; F53-F116 HydrophobicContact CE1-CE1 3.73Å; F53-F116 AromaticContact CE2-CD1 3.7Å; F53-F116 HydrophobicContact CE2-CD1 3.7Å; F53-F116 HydrophobicContact CE2-CE1 4.37Å; F53-F116 HydrophobicContact CG-CD1 4.12Å; F53-F116 AromaticContact CZ-CD1 3.68Å; F53-F116 HydrophobicContact CZ-CD1 3.68Å; F53-F116 AromaticContact CZ-CE1 3.89Å; F53-F116 HydrophobicContact CZ-CE1 3.89Å; F57-F116 AromaticContact CE1-CE1 3.94Å; F57-F116 HydrophobicContact CE1-CE1 3.94Å; F57-F116 HydrophobicContact CE1-CE2 4.21Å; F57-F116 AromaticContact CE1-CZ 3.72Å; F57-F116 HydrophobicContact CE1-CZ 3.72Å; F57-F116 HydrophobicContact CZ-CE1 4.46Å; F57-F116 HydrophobicContact CZ-CZ 4.12Å; I58-F116 HydrophobicContact CD1-CB 3.97Å; I58-F116 HydrophobicContact CD1-CD2 3.65Å; I58-F116 HydrophobicContact CD1-CE2 4.34Å; I58-F116 HydrophobicContact CD1-CG 3.84Å; Q61-F116 HydrophobicContact CB-CE2 4.35Å; Q61-F116 HydrophobicContact CG-CE2 4.11Å; Q61-F116 HydrophobicContact CG-CZ 4.37Å; P112-F116 HydrophobicContact CB-CD2 3.89Å; P112-F116 HydrophobicContact CB-CE2 4.07Å; P112-F116 VanDerWaalsContact O-CD2 3.3Å; P112-F116 WeakPolarHBondContact O-CD2 3.39Å; P112-F116 PolarHBondContact O-N 3.46Å |
| 117 | P | 92.1 | Very high | 94.3 | Very high | 88 Ų | 88 | 81.2 Ų | 81.2 | 57% | 0.571 | 43% | 0.431 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 141.9 | 175.8 | 28.3 | -34.3 | 0 | 0 | 0 | 110.1 | Q119 | P117-Q119 PolarHBondContact O-N 3.23Š|
| 118 | K | 92 | Very high | 94.1 | Very high | 145 Ų | 145 | 80.4 Ų | 80.4 | 63% | 0.63 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 126.8 | 172.8 | -66.3 | -177.7 | -179.1 | 178.5 | 0 | 109.2 | V194 | K118-V194 HydrophobicContact CB-CG1 4.35Å; K118-V194 HydrophobicContact CB-CG2 4.01Å; K118-V194 WeakPolarHBondContact O-CG1 3.43Å |
| 119 | Q | 89.8 | Confident | 94.1 | Very high | 87 Ų | 87 | 85 Ų | 85 | 41% | 0.407 | 45% | 0.446 | S | S | . | . | trans | -108.7 | 150.9 | 176 | -60.3 | -167.1 | -6.8 | 0 | 0 | 109.9 | F53 P117 | F53-Q119 VanDerWaalsContact CD2-NE2 3.26Å; F53-Q119 PolarHBondContact O-OE1 3.21Å; P117-Q119 PolarHBondContact O-N 3.23Å | ||
| 120 | R | 90.1 | Very high | 94.1 | Very high | 97 Ų | 97 | 83.9 Ų | 83.9 | 37% | 0.366 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -70 | 137.2 | 173.4 | -62.4 | -174.4 | -171.2 | 174 | 0.7 | 109.3 | V194 E195 | R120-V194 HydrophobicContact CG-CB 4.32Å; R120-V194 HydrophobicContact CG-CG1 3.96Å; R120-V194 PolarHBondContact NE-O 3.49Å; R120-V194 PolarHBondContact NH2-O 3.26Å; R120-E195 IonicContact CZ-OE1 3.84Å; R120-E195 IonicContact NE-OE1 2.78Å; R120-E195 IonicContact NH1-OE1 2.7Å; R120-E195 PolarHBondContact NH1-OE1 3.28Å; R120-E195 IonicContact NH2-OE1 2.91Å; R120-E195 PolarHBondContact NH2-OE1 2.9Å; R120-E195 VanDerWaalsContact NH2-OE1 3.15Å |
| 121 | A | 91.1 | Very high | 94.1 | Very high | 83 Ų | 83 | 87.8 Ų | 87.8 | 69% | 0.686 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -64.7 | 162.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q123 | A121-Q123 WeakPolarHBondContact O-CG 3.48Å; A121-Q123 PolarHBondContact O-N 2.83Å |
| 122 | V | 92.9 | Very high | 94.1 | Very high | 105 Ų | 105 | 87.2 Ų | 87.2 | 64% | 0.636 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -55.3 | 130.9 | 170.8 | -176.4 | 0 | 0 | 0 | 0 | 108.9 | W124 F131 | V122-W124 WeakPolarHBondContact CG1-O 3.41Å; V122-F131 WeakPolarHBondContact O-CE2 3.38Å |
| 123 | Q | 93.4 | Very high | 94 | Very high | 37 Ų | 37 | 93.9 Ų | 93.9 | 17% | 0.173 | 49% | 0.485 | C | S | . | . | trans | -96.3 | -2.3 | -168.7 | -63.9 | -175.8 | -30.2 | 0 | 0 | 113.9 | A121 P130 F131 F135 Q140 | A121-Q123 WeakPolarHBondContact O-CG 3.48Å; A121-Q123 PolarHBondContact O-N 2.83Å; Q123-P130 CarbonylContact O-C 3.59Å; Q123-P130 WeakPolarHBondContact O-CA 3.42Å; Q123-F131 VanDerWaalsContact C-CD2 3.43Å; Q123-F131 WeakPolarHBondContact O-CD2 3.46Å; Q123-F131 PolarHBondContact O-N 3.47Å; Q123-F135 HydrophobicContact CB-CD2 3.91Å; Q123-F135 HydrophobicContact CB-CE2 3.66Å; Q123-F135 HydrophobicContact CG-CE2 4.44Å; Q123-Q140 VanDerWaalsContact NE2-NE2 3.15Å | ||
| 124 | W | 95.6 | Very high | 94.2 | Very high | 129 Ų | 129 | 91.4 Ų | 91.4 | 49% | 0.489 | 47% | 0.469 | S | S | . | . | B | Isolated β-bridge | trans | -140.8 | 155.4 | -179.5 | 53.8 | 81.9 | 0 | 0 | 0 | 111.4 | V122 R129 F131 F135 | V122-W124 WeakPolarHBondContact CG1-O 3.41Å; W124-R129 VanDerWaalsContact CA-O 3.3Å; W124-R129 WeakPolarHBondContact CA-O 3.18Å; W124-R129 WeakPolarHBondContact CB-O 3.4Å; W124-F131 VanDerWaalsContact C-CZ 3.47Å; W124-F135 AromaticContact CE3-CE2 3.71Å; W124-F135 HydrophobicContact CE3-CE2 3.71Å; W124-F135 AromaticContact CE3-CZ 3.65Å; W124-F135 HydrophobicContact CE3-CZ 3.65Å; W124-F135 AromaticContact CZ3-CE2 3.78Å; W124-F135 HydrophobicContact CZ3-CE2 3.78Å; W124-F135 AromaticContact CZ3-CZ 3.64Å; W124-F135 HydrophobicContact CZ3-CZ 3.64Å |
| 125 | G | 94.7 | Very high | 94.4 | Very high | 12 Ų | 12 | 87.7 Ų | 87.7 | 12% | 0.124 | 45% | 0.451 | C | S | . | . | trans | -80.9 | -179.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | D127 G128 R129 | G125-D127 VanDerWaalsContact C-OD1 3.3Å; G125-D127 VanDerWaalsContact CA-OD1 3.29Å; G125-D127 WeakPolarHBondContact CA-OD1 3.47Å; G125-D127 PolarHBondContact O-N 3.48Å; G125-G128 PolarHBondContact O-N 3.04Å; G125-R129 PolarHBondContact N-O 3.5Å | ||
| 126 | P | 95.8 | Very high | 94.5 | Very high | 150 Ų | 150 | 92.7 Ų | 92.7 | 97% | 0.974 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -20.1 | 173 | 27.5 | -35 | 0 | 0 | 0 | 113.1 | G128 | P126-G128 PolarHBondContact O-N 3.13Š|
| 127 | D | 96.2 | Very high | 94.5 | Very high | 120 Ų | 120 | 93.8 Ų | 93.8 | 64% | 0.642 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -11.3 | 171.8 | 62.5 | -17.4 | 0 | 0 | 0 | 113.4 | G125 R129 | G125-D127 VanDerWaalsContact C-OD1 3.3Å; G125-D127 VanDerWaalsContact CA-OD1 3.29Å; G125-D127 WeakPolarHBondContact CA-OD1 3.47Å; G125-D127 PolarHBondContact O-N 3.48Å; D127-R129 PolarHBondContact O-N 3.14Å; D127-R129 PolarHBondContact OD1-N 3.32Å; D127-R129 VanDerWaalsContact OD2-CB 3.31Å; D127-R129 WeakPolarHBondContact OD2-CB 3.36Å |
| 128 | G | 93.8 | Very high | 94.6 | Very high | 48 Ų | 48 | 92.1 Ų | 92.1 | 50% | 0.495 | 48% | 0.475 | S | S | . | . | trans | 77.4 | 5.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114 | G125 P126 | G125-G128 PolarHBondContact O-N 3.04Å; P126-G128 PolarHBondContact O-N 3.13Å | ||
| 129 | R | 95.4 | Very high | 94.7 | Very high | 183 Ų | 183 | 87.9 Ų | 87.9 | 69% | 0.691 | 46% | 0.457 | S | S | * | . | trans | -82.6 | 126.9 | 178.1 | -173.3 | 176.6 | 178.2 | 178.1 | 0 | 110.2 | W124 G125 D127 | W124-R129 VanDerWaalsContact CA-O 3.3Å; W124-R129 WeakPolarHBondContact CA-O 3.18Å; W124-R129 WeakPolarHBondContact CB-O 3.4Å; G125-R129 PolarHBondContact N-O 3.5Å; D127-R129 PolarHBondContact O-N 3.14Å; D127-R129 PolarHBondContact OD1-N 3.32Å; D127-R129 VanDerWaalsContact OD2-CB 3.31Å; D127-R129 WeakPolarHBondContact OD2-CB 3.36Å | ||
| 130 | P | 97.1 | Very high | 95 | Very high | 22 Ų | 22 | 85.3 Ų | 85.3 | 14% | 0.143 | 45% | 0.445 | C | S | . | . | B | Isolated β-bridge | trans | -64.6 | 141.9 | 173.9 | -22.6 | 33.9 | 0 | 0 | 0 | 112.7 | Q123 F135 Y136 | Q123-P130 CarbonylContact O-C 3.59Å; Q123-P130 WeakPolarHBondContact O-CA 3.42Å; P130-F135 HydrophobicContact CB-CB 3.56Å; P130-F135 HydrophobicContact CB-CD1 3.66Å; P130-F135 HydrophobicContact CB-CD2 3.93Å; P130-F135 HydrophobicContact CB-CE1 4.3Å; P130-F135 HydrophobicContact CB-CG 3.44Å; P130-F135 VanDerWaalsContact CB-CG 3.44Å; P130-F135 HydrophobicContact CG-CB 4.19Å; P130-F135 HydrophobicContact CG-CD1 3.36Å; P130-F135 HydrophobicContact CG-CD2 4.41Å; P130-F135 HydrophobicContact CG-CE1 3.73Å; P130-F135 HydrophobicContact CG-CG 3.75Å; P130-F135 HydrophobicContact CG-CZ 4.39Å; P130-Y136 HydrophobicContact CG-CE2 4.08Å |
| 131 | F | 96.3 | Very high | 95.3 | Very high | 148 Ų | 148 | 82 Ų | 82 | 65% | 0.649 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -71.5 | -34.4 | 178.5 | -59.7 | -48.3 | 0 | 0 | 0 | 112.9 | V122 Q123 W124 | V122-F131 WeakPolarHBondContact O-CE2 3.38Å; Q123-F131 VanDerWaalsContact C-CD2 3.43Å; Q123-F131 WeakPolarHBondContact O-CD2 3.46Å; Q123-F131 PolarHBondContact O-N 3.47Å; W124-F131 VanDerWaalsContact C-CZ 3.47Å |
| 132 | H | 96.9 | Very high | 95.6 | Very high | 48 Ų | 48 | 78.4 Ų | 78.4 | 22% | 0.222 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -103.6 | 137.1 | -176.8 | -165 | -85.9 | 0 | 0 | 0 | 111.4 | L134 F135 S144 | H132-L134 VanDerWaalsContact C-N 3.34Å; H132-L134 PolarHBondContact ND1-N 3.36Å; H132-L134 PolarHBondContact O-N 2.96Å; H132-F135 WeakPolarHBondContact O-CB 3.33Å; H132-F135 PolarHBondContact O-N 3.34Å; H132-F135 VanDerWaalsContact O-N 3.15Å; H132-S144 PolarHBondContact NE2-OG 3.15Å |
| 133 | F | 96.5 | Very high | 95.8 | Very high | 144 Ų | 144 | 77.8 Ų | 77.8 | 63% | 0.632 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -31.2 | -177.3 | 68.6 | -79.4 | 0 | 0 | 0 | 113.4 | F135 | F133-F135 VanDerWaalsContact C-N 3.27Å; F133-F135 PolarHBondContact O-N 2.7Å |
| 134 | L | 96.9 | Very high | 95.9 | Very high | 36 Ų | 36 | 77.2 Ų | 77.2 | 19% | 0.188 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 13.7 | 174 | -56.8 | 175.1 | 0 | 0 | 0 | 114.1 | H132 Y136 T137 Q140 | H132-L134 VanDerWaalsContact C-N 3.34Å; H132-L134 PolarHBondContact ND1-N 3.36Å; H132-L134 PolarHBondContact O-N 2.96Å; L134-Y136 VanDerWaalsContact C-N 3.29Å; L134-Y136 PolarHBondContact O-N 3.02Å; L134-T137 HydrophobicContact CB-CG2 4.07Å; L134-T137 HydrophobicContact CD2-CG2 4.26Å; L134-T137 WeakPolarHBondContact O-CB 3.48Å; L134-T137 WeakPolarHBondContact O-CG2 3.45Å; L134-T137 PolarHBondContact O-N 3.24Å; L134-T137 VanDerWaalsContact O-N 3.1Å; L134-T137 PolarHBondContact O-OG1 3.44Å; L134-Q140 HydrophobicContact CB-CB 4.43Å |
| 135 | F | 96.6 | Very high | 96 | Very high | 39 Ų | 39 | 72 Ų | 72 | 17% | 0.171 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -52.2 | -45.7 | -178.8 | 170.4 | -95.8 | 0 | 0 | 0 | 113 | Q123 W124 P130 H132 F133 T137 G138 | Q123-F135 HydrophobicContact CB-CD2 3.91Å; Q123-F135 HydrophobicContact CB-CE2 3.66Å; Q123-F135 HydrophobicContact CG-CE2 4.44Å; W124-F135 AromaticContact CE3-CE2 3.71Å; W124-F135 HydrophobicContact CE3-CE2 3.71Å; W124-F135 AromaticContact CE3-CZ 3.65Å; W124-F135 HydrophobicContact CE3-CZ 3.65Å; W124-F135 AromaticContact CZ3-CE2 3.78Å; W124-F135 HydrophobicContact CZ3-CE2 3.78Å; W124-F135 AromaticContact CZ3-CZ 3.64Å; W124-F135 HydrophobicContact CZ3-CZ 3.64Å; P130-F135 HydrophobicContact CB-CB 3.56Å; P130-F135 HydrophobicContact CB-CD1 3.66Å; P130-F135 HydrophobicContact CB-CD2 3.93Å; P130-F135 HydrophobicContact CB-CE1 4.3Å; P130-F135 HydrophobicContact CB-CG 3.44Å; P130-F135 VanDerWaalsContact CB-CG 3.44Å; P130-F135 HydrophobicContact CG-CB 4.19Å; P130-F135 HydrophobicContact CG-CD1 3.36Å; P130-F135 HydrophobicContact CG-CD2 4.41Å; P130-F135 HydrophobicContact CG-CE1 3.73Å; P130-F135 HydrophobicContact CG-CG 3.75Å; P130-F135 HydrophobicContact CG-CZ 4.39Å; H132-F135 WeakPolarHBondContact O-CB 3.33Å; H132-F135 PolarHBondContact O-N 3.34Å; H132-F135 VanDerWaalsContact O-N 3.15Å; F133-F135 VanDerWaalsContact C-N 3.27Å; F133-F135 PolarHBondContact O-N 2.7Å; F135-T137 PolarHBondContact O-N 2.98Å; F135-G138 PolarHBondContact O-N 2.93Å |
| 136 | Y | 96.6 | Very high | 96.1 | Very high | 185 Ų | 185 | 72.8 Ų | 72.8 | 73% | 0.725 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -70.4 | -2.8 | -176.9 | -64.2 | -71.1 | 0 | 0 | 0 | 115 | P130 L134 G138 | P130-Y136 HydrophobicContact CG-CE2 4.08Å; L134-Y136 VanDerWaalsContact C-N 3.29Å; L134-Y136 PolarHBondContact O-N 3.02Å; Y136-G138 VanDerWaalsContact C-N 3.26Å |
| 137 | T | 95.2 | Very high | 96.2 | Very high | 63 Ų | 63 | 70.8 Ų | 70.8 | 39% | 0.387 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -76 | -16.3 | 169.8 | 67.1 | 0 | 0 | 0 | 0 | 112.7 | L134 F135 K139 Y143 | L134-T137 HydrophobicContact CB-CG2 4.07Å; L134-T137 HydrophobicContact CD2-CG2 4.26Å; L134-T137 WeakPolarHBondContact O-CB 3.48Å; L134-T137 WeakPolarHBondContact O-CG2 3.45Å; L134-T137 PolarHBondContact O-N 3.24Å; L134-T137 VanDerWaalsContact O-N 3.1Å; L134-T137 PolarHBondContact O-OG1 3.44Å; F135-T137 PolarHBondContact O-N 2.98Å; T137-K139 PolarHBondContact O-N 3.46Å; T137-K139 PolarHBondContact OG1-N 3.23Å; T137-Y143 HydrophobicContact CG2-CD2 4.13Å; T137-Y143 WeakPolarHBondContact OG1-CD2 3.37Å |
| 138 | G | 93.3 | Very high | 96.2 | Very high | 53 Ų | 53 | 68.9 Ų | 68.9 | 55% | 0.546 | 34% | 0.344 | S | S | . | . | S | Bend | trans | 78.6 | -21.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | F135 Y136 | F135-G138 PolarHBondContact O-N 2.93Å; Y136-G138 VanDerWaalsContact C-N 3.26Å |
| 139 | K | 95.2 | Very high | 96.2 | Very high | 56 Ų | 56 | 66.6 Ų | 66.6 | 24% | 0.243 | 32% | 0.32 | C | S | . | . | trans | -125.3 | 60.5 | 178.7 | -64.5 | 178.2 | 175.5 | 169.8 | 0 | 110.7 | T137 A141 Y142 Y143 E195 D201 | T137-K139 PolarHBondContact O-N 3.46Å; T137-K139 PolarHBondContact OG1-N 3.23Å; K139-A141 VanDerWaalsContact C-N 3.32Å; K139-A141 PolarHBondContact O-N 2.91Å; K139-Y142 PolarHBondContact O-N 3.04Å; K139-Y143 HydrophobicContact CB-CD2 3.91Å; K139-Y143 HydrophobicContact CB-CE2 3.88Å; K139-Y143 WeakPolarHBondContact O-CD2 3.38Å; K139-Y143 PolarHBondContact O-N 2.88Å; K139-E195 VanDerWaalsContact CA-OE2 3.3Å; K139-E195 WeakPolarHBondContact CA-OE2 3.35Å; K139-D201 IonicContact NZ-OD2 3.63Å; K139-D201 PolarHBondContact NZ-OD2 2.87Å | ||
| 140 | Q | 95.7 | Very high | 96.3 | Very high | 34 Ų | 34 | 63.1 Ų | 63.1 | 16% | 0.159 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.9 | -38 | -169.3 | 67.6 | -179.8 | 17.9 | 0 | 0 | 112.6 | Q123 L134 S144 E195 | Q123-Q140 VanDerWaalsContact NE2-NE2 3.15Å; L134-Q140 HydrophobicContact CB-CB 4.43Å; Q140-S144 WeakPolarHBondContact O-CB 3.26Å; Q140-S144 PolarHBondContact O-N 3.28Å; Q140-E195 PolarHBondContact N-OE1 3.3Å; Q140-E195 PolarHBondContact N-OE2 2.92Å |
| 141 | A | 96.3 | Very high | 96.2 | Very high | 28 Ų | 28 | 63.2 Ų | 63.2 | 23% | 0.231 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -72.9 | -41.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | K139 S144 L145 L193 E195 | K139-A141 VanDerWaalsContact C-N 3.32Å; K139-A141 PolarHBondContact O-N 2.91Å; A141-S144 PolarHBondContact O-N 2.96Å; A141-L145 WeakPolarHBondContact O-CB 3.45Å; A141-L145 PolarHBondContact O-N 3.38Å; A141-L193 HydrophobicContact CB-CB 4.25Å; A141-L193 HydrophobicContact CB-CD2 4.08Å; A141-E195 VanDerWaalsContact CB-CD 3.42Å; A141-E195 HydrophobicContact CB-CG 3.81Å; A141-E195 PolarHBondContact N-OE1 3.18Å; A141-E195 PolarHBondContact N-OE2 3.06Å; A141-E195 VanDerWaalsContact N-OE2 3.14Å |
| 142 | Y | 96.8 | Very high | 96.1 | Very high | 6 Ų | 6 | 59.3 Ų | 59.3 | 2% | 0.024 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.3 | -51.5 | 174.9 | 171.7 | -101.9 | 0 | 0 | 0 | 112.1 | K139 S144 L145 M146 M189 L193 E195 I197 D201 F205 | K139-Y142 PolarHBondContact O-N 3.04Å; Y142-S144 VanDerWaalsContact C-N 3.3Å; Y142-S144 PolarHBondContact O-N 2.94Å; Y142-L145 PolarHBondContact O-N 2.81Å; Y142-M146 HydrophobicContact CD1-CG 4.37Å; Y142-M146 HydrophobicContact CD2-CG 4.36Å; Y142-M146 HydrophobicContact CE1-CG 3.89Å; Y142-M146 HydrophobicContact CE2-CG 3.86Å; Y142-M146 HydrophobicContact CE2-SD 4.17Å; Y142-M146 WeakPolarHBondContact O-CG 3.41Å; Y142-M146 PolarHBondContact O-N 3.45Å; Y142-M189 HydrophobicContact CD2-CE 4.27Å; Y142-M189 HydrophobicContact CE2-CE 4.44Å; Y142-L193 HydrophobicContact CD2-CD1 4.49Å; Y142-E195 PolarHBondContact N-OE2 2.95Å; Y142-E195 VanDerWaalsContact N-OE2 3.13Å; Y142-I197 HydrophobicContact CD2-CG2 4.49Å; Y142-D201 HydrophobicContact CE1-CB 4.08Å; Y142-D201 HydrophobicContact CE2-CB 3.99Å; Y142-D201 WeakPolarHBondContact OH-CA 3.5Å; Y142-D201 PolarHBondContact OH-O 2.68Å; Y142-F205 HydrophobicContact CE2-CB 4.45Å |
| 143 | Y | 97.3 | Very high | 96 | Very high | 92 Ų | 92 | 57 Ų | 57 | 36% | 0.361 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -70.4 | -27.7 | -178.8 | -70 | -62.1 | 0 | 0 | 0 | 113.1 | T137 K139 M146 H147 | T137-Y143 HydrophobicContact CG2-CD2 4.13Å; T137-Y143 WeakPolarHBondContact OG1-CD2 3.37Å; K139-Y143 HydrophobicContact CB-CD2 3.91Å; K139-Y143 HydrophobicContact CB-CE2 3.88Å; K139-Y143 WeakPolarHBondContact O-CD2 3.38Å; K139-Y143 PolarHBondContact O-N 2.88Å; Y143-M146 PolarHBondContact O-N 3.14Å; Y143-H147 VanDerWaalsContact O-CB 3.25Å; Y143-H147 WeakPolarHBondContact O-CB 3.48Å; Y143-H147 PolarHBondContact O-N 2.81Å |
| 144 | S | 97 | Very high | 96 | Very high | 25 Ų | 25 | 53 Ų | 53 | 18% | 0.175 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.7 | -48.1 | 170.8 | -171.1 | 0 | 0 | 0 | 0 | 110.7 | H132 Q140 A141 Y142 M146 H147 D148 | H132-S144 PolarHBondContact NE2-OG 3.15Å; Q140-S144 WeakPolarHBondContact O-CB 3.26Å; Q140-S144 PolarHBondContact O-N 3.28Å; A141-S144 PolarHBondContact O-N 2.96Å; Y142-S144 VanDerWaalsContact C-N 3.3Å; Y142-S144 PolarHBondContact O-N 2.94Å; S144-M146 VanDerWaalsContact C-N 3.34Å; S144-M146 PolarHBondContact O-N 3.32Å; S144-H147 WeakPolarHBondContact O-CB 3.45Å; S144-H147 PolarHBondContact O-N 2.8Å; S144-D148 PolarHBondContact O-N 2.85Å |
| 145 | L | 96.2 | Very high | 95.8 | Very high | 20 Ų | 20 | 57.7 Ų | 57.7 | 11% | 0.105 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.3 | -40.4 | 175 | 172.7 | 150.5 | 0 | 0 | 0 | 112.5 | A141 Y142 D148 L149 M189 L193 F205 | A141-L145 WeakPolarHBondContact O-CB 3.45Å; A141-L145 PolarHBondContact O-N 3.38Å; Y142-L145 PolarHBondContact O-N 2.81Å; L145-D148 PolarHBondContact O-N 2.99Å; L145-L149 VanDerWaalsContact O-CB 3.26Å; L145-L149 WeakPolarHBondContact O-CB 3.5Å; L145-L149 PolarHBondContact O-N 3.36Å; L145-M189 HydrophobicContact CD1-CE 4.27Å; L145-M189 HydrophobicContact CD2-CE 3.83Å; L145-L193 HydrophobicContact CD1-CD2 4.14Å; L145-F205 HydrophobicContact CD2-CD2 3.4Å; L145-F205 HydrophobicContact CD2-CE2 3.35Å; L145-F205 HydrophobicContact CD2-CG 4.43Å; L145-F205 HydrophobicContact CD2-CZ 4.35Å; L145-F205 HydrophobicContact CG-CE2 4.32Å |
| 146 | M | 97.2 | Very high | 95.6 | Very high | 28 Ų | 28 | 55.9 Ų | 55.9 | 14% | 0.138 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.3 | -38.8 | 175.1 | -69.3 | -65.5 | -77.1 | 0 | 0 | 112.5 | Y142 Y143 S144 Y150 H204 F205 L208 | Y142-M146 HydrophobicContact CD1-CG 4.37Å; Y142-M146 HydrophobicContact CD2-CG 4.36Å; Y142-M146 HydrophobicContact CE1-CG 3.89Å; Y142-M146 HydrophobicContact CE2-CG 3.86Å; Y142-M146 HydrophobicContact CE2-SD 4.17Å; Y142-M146 WeakPolarHBondContact O-CG 3.41Å; Y142-M146 PolarHBondContact O-N 3.45Å; Y143-M146 PolarHBondContact O-N 3.14Å; S144-M146 VanDerWaalsContact C-N 3.34Å; S144-M146 PolarHBondContact O-N 3.32Å; M146-Y150 WeakPolarHBondContact O-CB 3.45Å; M146-Y150 PolarHBondContact O-N 3.09Å; M146-H204 HydrophobicContact CE-CB 4.39Å; M146-F205 HydrophobicContact SD-CB 3.92Å; M146-F205 HydrophobicContact SD-CD2 3.99Å; M146-F205 HydrophobicContact SD-CG 4.47Å; M146-L208 HydrophobicContact CE-CD1 3.32Å; M146-L208 HydrophobicContact CE-CG 4.22Å; M146-L208 HydrophobicContact SD-CD1 4.2Å |
| 147 | H | 97.2 | Very high | 95.4 | Very high | 109 Ų | 109 | 49.7 Ų | 49.7 | 51% | 0.505 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.3 | -46.4 | 175.9 | 179.9 | 74 | 0 | 0 | 0 | 111.1 | Y143 S144 Y150 G151 | Y143-H147 VanDerWaalsContact O-CB 3.25Å; Y143-H147 WeakPolarHBondContact O-CB 3.48Å; Y143-H147 PolarHBondContact O-N 2.81Å; S144-H147 WeakPolarHBondContact O-CB 3.45Å; S144-H147 PolarHBondContact O-N 2.8Å; H147-Y150 PolarHBondContact O-N 3.24Å; H147-G151 PolarHBondContact O-N 2.66Å |
| 148 | D | 96.1 | Very high | 95.3 | Very high | 80 Ų | 80 | 53.3 Ų | 53.3 | 43% | 0.428 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.2 | -44 | 176.9 | -74.9 | -11.8 | 0 | 0 | 0 | 111.7 | S144 L145 G151 R152 | S144-D148 PolarHBondContact O-N 2.85Å; L145-D148 PolarHBondContact O-N 2.99Å; D148-G151 PolarHBondContact O-N 3.13Å; D148-R152 WeakPolarHBondContact O-CG 3.27Å; D148-R152 PolarHBondContact O-N 2.76Å |
| 149 | L | 95.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.5 | -51.9 | 176.2 | -169.9 | 173.1 | 0 | 0 | 0 | 110.4 | L145 G151 R152 V153 F205 L208 M209 F224 | L145-L149 VanDerWaalsContact O-CB 3.26Å; L145-L149 WeakPolarHBondContact O-CB 3.5Å; L145-L149 PolarHBondContact O-N 3.36Å; L149-G151 VanDerWaalsContact C-N 3.26Å; L149-G151 PolarHBondContact O-N 2.82Å; L149-R152 WeakPolarHBondContact O-CA 3.3Å; L149-R152 WeakPolarHBondContact O-CB 3.42Å; L149-R152 PolarHBondContact O-N 2.91Å; L149-V153 HydrophobicContact CD2-CG2 3.9Å; L149-V153 PolarHBondContact O-N 2.78Å; L149-F205 HydrophobicContact CD1-CD2 3.7Å; L149-F205 HydrophobicContact CD1-CE2 3.67Å; L149-L208 HydrophobicContact CD1-CB 3.93Å; L149-L208 HydrophobicContact CD2-CB 3.57Å; L149-L208 HydrophobicContact CD2-CD1 4.2Å; L149-L208 HydrophobicContact CD2-CG 4.5Å; L149-L208 HydrophobicContact CG-CB 4.44Å; L149-M209 HydrophobicContact CD1-CG 3.78Å; L149-M209 HydrophobicContact CD1-SD 3.47Å; L149-M209 WeakPolarHBondContact CD1-SD 3.47Å; L149-M209 HydrophobicContact CG-SD 3.96Å; L149-F224 HydrophobicContact CB-CE1 4.32Å; L149-F224 HydrophobicContact CB-CZ 4.32Å; L149-F224 HydrophobicContact CG-CE1 4.17Å |
| 150 | Y | 96.5 | Very high | 94.9 | Very high | 110 Ų | 110 | 51.8 Ų | 51.8 | 43% | 0.431 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61 | -37.8 | 177.8 | -170.7 | -99.8 | 0 | 0 | 0 | 111.8 | M146 H147 R152 V153 L154 | M146-Y150 WeakPolarHBondContact O-CB 3.45Å; M146-Y150 PolarHBondContact O-N 3.09Å; H147-Y150 PolarHBondContact O-N 3.24Å; Y150-R152 VanDerWaalsContact C-N 3.31Å; Y150-R152 PolarHBondContact O-N 3.31Å; Y150-V153 WeakPolarHBondContact O-CB 3.5Å; Y150-V153 PolarHBondContact O-N 2.85Å; Y150-V153 VanDerWaalsContact O-N 3.16Å; Y150-L154 HydrophobicContact CD1-CD1 3.95Å; Y150-L154 HydrophobicContact CD1-CG 4.2Å; Y150-L154 HydrophobicContact CE1-CD1 3.65Å; Y150-L154 HydrophobicContact CE1-CD2 4.17Å; Y150-L154 HydrophobicContact CE1-CG 3.91Å; Y150-L154 WeakPolarHBondContact O-CG 3.33Å; Y150-L154 PolarHBondContact O-N 2.81Å |
| 151 | G | 95.8 | Very high | 94.8 | Very high | 24 Ų | 24 | 54.5 Ų | 54.5 | 25% | 0.247 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.6 | -40.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | H147 D148 L149 L154 K155 | H147-G151 PolarHBondContact O-N 2.66Å; D148-G151 PolarHBondContact O-N 3.13Å; L149-G151 VanDerWaalsContact C-N 3.26Å; L149-G151 PolarHBondContact O-N 2.82Å; G151-L154 PolarHBondContact O-N 3.48Å; G151-K155 VanDerWaalsContact O-CG 3.31Å; G151-K155 WeakPolarHBondContact O-CG 3.48Å; G151-K155 PolarHBondContact O-N 3.41Å |
| 152 | R | 94.3 | Very high | 94.5 | Very high | 65 Ų | 65 | 58.6 Ų | 58.6 | 25% | 0.245 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.7 | -39.5 | 173.7 | -67.9 | 171.1 | -166.9 | -106.1 | 8.3 | 112.1 | D148 L149 Y150 L154 K155 V156 L212 E221 F224 | D148-R152 WeakPolarHBondContact O-CG 3.27Å; D148-R152 PolarHBondContact O-N 2.76Å; L149-R152 WeakPolarHBondContact O-CA 3.3Å; L149-R152 WeakPolarHBondContact O-CB 3.42Å; L149-R152 PolarHBondContact O-N 2.91Å; Y150-R152 VanDerWaalsContact C-N 3.31Å; Y150-R152 PolarHBondContact O-N 3.31Å; R152-L154 VanDerWaalsContact C-N 3.33Å; R152-L154 PolarHBondContact O-N 3.03Å; R152-K155 WeakPolarHBondContact O-CB 3.35Å; R152-K155 PolarHBondContact O-N 2.88Å; R152-K155 VanDerWaalsContact O-N 3.15Å; R152-V156 WeakPolarHBondContact O-CG2 3.49Å; R152-V156 PolarHBondContact O-N 2.91Å; R152-L212 HydrophobicContact CB-CD1 4.11Å; R152-E221 HydrophobicContact CB-CG 4.17Å; R152-E221 VanDerWaalsContact CD-OE2 3.3Å; R152-E221 WeakPolarHBondContact CD-OE2 3.37Å; R152-E221 HydrophobicContact CG-CG 4.47Å; R152-E221 IonicContact CZ-OE2 3.16Å; R152-E221 IonicContact NE-OE2 3.05Å; R152-E221 IonicContact NH1-OE2 3.99Å; R152-E221 PolarHBondContact NH1-OE2 3.46Å; R152-F224 VanDerWaalsContact CZ-CB 3.49Å |
| 153 | V | 94.6 | Very high | 94.1 | Very high | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.006 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -56.5 | -49.8 | 174.1 | 172.4 | 0 | 0 | 0 | 0 | 110.4 | L149 Y150 K155 V156 E157 L212 M215 | L149-V153 HydrophobicContact CD2-CG2 3.9Å; L149-V153 PolarHBondContact O-N 2.78Å; Y150-V153 WeakPolarHBondContact O-CB 3.5Å; Y150-V153 PolarHBondContact O-N 2.85Å; Y150-V153 VanDerWaalsContact O-N 3.16Å; V153-K155 VanDerWaalsContact C-N 3.33Å; V153-K155 PolarHBondContact O-N 3.23Å; V153-V156 PolarHBondContact O-N 3.24Å; V153-E157 WeakPolarHBondContact O-CG 3.26Å; V153-E157 PolarHBondContact O-N 3.28Å; V153-L212 HydrophobicContact CG2-CB 4.24Å; V153-L212 HydrophobicContact CG2-CD1 4.13Å; V153-M215 HydrophobicContact CB-CE 4.07Å; V153-M215 HydrophobicContact CG1-CE 3.8Å; V153-M215 HydrophobicContact CG1-SD 3.98Å; V153-M215 HydrophobicContact CG2-CE 4.07Å |
| 154 | L | 95.6 | Very high | 93.7 | Very high | 60 Ų | 60 | 61.9 Ų | 61.9 | 31% | 0.314 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.2 | -35.9 | 176.9 | -66.1 | 178 | 0 | 0 | 0 | 113.1 | Y150 G151 R152 V156 E157 K158 | Y150-L154 HydrophobicContact CD1-CD1 3.95Å; Y150-L154 HydrophobicContact CD1-CG 4.2Å; Y150-L154 HydrophobicContact CE1-CD1 3.65Å; Y150-L154 HydrophobicContact CE1-CD2 4.17Å; Y150-L154 HydrophobicContact CE1-CG 3.91Å; Y150-L154 WeakPolarHBondContact O-CG 3.33Å; Y150-L154 PolarHBondContact O-N 2.81Å; G151-L154 PolarHBondContact O-N 3.48Å; R152-L154 VanDerWaalsContact C-N 3.33Å; R152-L154 PolarHBondContact O-N 3.03Å; L154-V156 VanDerWaalsContact C-N 3.34Å; L154-E157 WeakPolarHBondContact CD2-OE2 3.26Å; L154-E157 PolarHBondContact O-N 2.96Å; L154-K158 WeakPolarHBondContact O-CB 3.48Å; L154-K158 VanDerWaalsContact O-CG 3.3Å; L154-K158 WeakPolarHBondContact O-CG 3.45Å; L154-K158 PolarHBondContact O-N 3.34Å |
| 155 | K | 93.9 | Very high | 93.5 | Very high | 134 Ų | 134 | 65 Ų | 65 | 58% | 0.583 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -62.5 | -42.9 | 175.5 | -75.8 | 172.6 | -174.4 | 176.9 | 0 | 111.2 | G151 R152 V153 K158 H159 | G151-K155 VanDerWaalsContact O-CG 3.31Å; G151-K155 WeakPolarHBondContact O-CG 3.48Å; G151-K155 PolarHBondContact O-N 3.41Å; R152-K155 WeakPolarHBondContact O-CB 3.35Å; R152-K155 PolarHBondContact O-N 2.88Å; R152-K155 VanDerWaalsContact O-N 3.15Å; V153-K155 VanDerWaalsContact C-N 3.33Å; V153-K155 PolarHBondContact O-N 3.23Å; K155-K158 PolarHBondContact O-N 3.33Å; K155-H159 WeakPolarHBondContact O-CB 3.48Å; K155-H159 PolarHBondContact O-N 3.36Å |
| 156 | V | 91.9 | Very high | 93.3 | Very high | 1 Ų | 1 | 71.2 Ų | 71.2 | 1% | 0.006 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.9 | -44.7 | 176.7 | 171.4 | 0 | 0 | 0 | 0 | 110.6 | R152 V153 L154 K158 H159 Q160 M215 E221 | R152-V156 WeakPolarHBondContact O-CG2 3.49Å; R152-V156 PolarHBondContact O-N 2.91Å; V153-V156 PolarHBondContact O-N 3.24Å; L154-V156 VanDerWaalsContact C-N 3.34Å; V156-K158 PolarHBondContact O-N 3.35Å; V156-H159 PolarHBondContact O-N 3.07Å; V156-Q160 VanDerWaalsContact O-CG 3.31Å; V156-Q160 WeakPolarHBondContact O-CG 3.22Å; V156-Q160 PolarHBondContact O-N 3.02Å; V156-M215 HydrophobicContact CB-CE 3.79Å; V156-M215 HydrophobicContact CG1-CB 4.15Å; V156-M215 HydrophobicContact CG1-CE 3.72Å; V156-M215 HydrophobicContact CG1-SD 4.15Å; V156-M215 HydrophobicContact CG2-CE 4.36Å; V156-E221 HydrophobicContact CG2-CG 3.99Å |
| 157 | E | 92.4 | Very high | 92.8 | Very high | 55 Ų | 55 | 73.1 Ų | 73.1 | 26% | 0.257 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -58.1 | -48.4 | 175.3 | -71.1 | 173.2 | 178.4 | 0 | 0 | 111.3 | V153 L154 H159 Q160 D161 R211 M215 | V153-E157 WeakPolarHBondContact O-CG 3.26Å; V153-E157 PolarHBondContact O-N 3.28Å; L154-E157 WeakPolarHBondContact CD2-OE2 3.26Å; L154-E157 PolarHBondContact O-N 2.96Å; E157-H159 VanDerWaalsContact C-N 3.31Å; E157-H159 PolarHBondContact O-N 3.12Å; E157-Q160 WeakPolarHBondContact O-CB 3.39Å; E157-Q160 PolarHBondContact O-N 3.2Å; E157-D161 PolarHBondContact O-N 3.26Å; E157-R211 IonicContact OE1-NH2 3.01Å; E157-R211 PolarHBondContact OE1-NH2 3.28Å; E157-M215 HydrophobicContact CG-SD 4.04Å |
| 158 | K | 93.1 | Very high | 92.1 | Very high | 139 Ų | 139 | 73.7 Ų | 73.7 | 60% | 0.604 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -59.9 | -39.4 | 175.5 | -74.8 | 176.4 | -179.3 | -178.4 | 0 | 112.8 | L154 K155 V156 D161 Q162 | L154-K158 WeakPolarHBondContact O-CB 3.48Å; L154-K158 VanDerWaalsContact O-CG 3.3Å; L154-K158 WeakPolarHBondContact O-CG 3.45Å; L154-K158 PolarHBondContact O-N 3.34Å; K155-K158 PolarHBondContact O-N 3.33Å; V156-K158 PolarHBondContact O-N 3.35Å; K158-D161 PolarHBondContact O-N 3.29Å; K158-Q162 VanDerWaalsContact O-CG 3.3Å; K158-Q162 WeakPolarHBondContact O-CG 3.33Å; K158-Q162 PolarHBondContact O-N 3.25Å |
| 159 | H | 90.9 | Very high | 91.1 | Very high | 60 Ų | 60 | 73.4 Ų | 73.4 | 28% | 0.278 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66.1 | -41.3 | 177.6 | -175.4 | 70.6 | 0 | 0 | 0 | 111.5 | K155 V156 E157 D161 Q162 L163 L220 | K155-H159 WeakPolarHBondContact O-CB 3.48Å; K155-H159 PolarHBondContact O-N 3.36Å; V156-H159 PolarHBondContact O-N 3.07Å; E157-H159 VanDerWaalsContact C-N 3.31Å; E157-H159 PolarHBondContact O-N 3.12Å; H159-D161 PolarHBondContact O-N 3.36Å; H159-Q162 PolarHBondContact O-N 2.98Å; H159-L163 WeakPolarHBondContact O-CG 3Å; H159-L163 PolarHBondContact O-N 3.42Å; H159-L220 HydrophobicContact CB-CD1 4.2Å |
| 160 | Q | 89.3 | Confident | 90 | Very high | 16 Ų | 16 | 75.7 Ų | 75.7 | 8% | 0.075 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -59.8 | -45.9 | 174.1 | -68.9 | 167.9 | 18.8 | 0 | 0 | 111.4 | V156 E157 Q162 L163 R164 F169 P216 | V156-Q160 VanDerWaalsContact O-CG 3.31Å; V156-Q160 WeakPolarHBondContact O-CG 3.22Å; V156-Q160 PolarHBondContact O-N 3.02Å; E157-Q160 WeakPolarHBondContact O-CB 3.39Å; E157-Q160 PolarHBondContact O-N 3.2Å; Q160-Q162 VanDerWaalsContact C-N 3.32Å; Q160-Q162 PolarHBondContact O-N 3Å; Q160-L163 PolarHBondContact O-N 2.95Å; Q160-R164 WeakPolarHBondContact O-CG 3.33Å; Q160-R164 PolarHBondContact O-N 2.95Å; Q160-F169 HydrophobicContact CB-CE2 4.15Å; Q160-F169 HydrophobicContact CG-CE2 4.29Å; Q160-P216 HydrophobicContact CG-CG 4.29Å; Q160-P216 VanDerWaalsContact NE2-CD 3.32Å; Q160-P216 PolarHBondContact NE2-O 3.38Å |
| 161 | D | 91.8 | Very high | 88.6 | Confident | 92 Ų | 92 | 77.4 Ų | 77.4 | 49% | 0.492 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.1 | -40.2 | 178.4 | -70.3 | -22.5 | 0 | 0 | 0 | 111.8 | E157 K158 H159 L163 R164 A165 | E157-D161 PolarHBondContact O-N 3.26Å; K158-D161 PolarHBondContact O-N 3.29Å; H159-D161 PolarHBondContact O-N 3.36Å; D161-L163 PolarHBondContact O-N 3.03Å; D161-R164 PolarHBondContact O-N 3.43Å; D161-R164 IonicContact OD1-NH1 4Å; D161-A165 WeakPolarHBondContact O-CB 3.4Å; D161-A165 PolarHBondContact O-N 3.09Å |
| 162 | Q | 90.9 | Very high | 87.4 | Confident | 113 Ų | 113 | 84.3 Ų | 84.3 | 53% | 0.528 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.1 | -39.5 | 174 | -73.3 | 175.2 | 6.8 | 0 | 0 | 112.8 | K158 H159 Q160 K166 | K158-Q162 VanDerWaalsContact O-CG 3.3Å; K158-Q162 WeakPolarHBondContact O-CG 3.33Å; K158-Q162 PolarHBondContact O-N 3.25Å; H159-Q162 PolarHBondContact O-N 2.98Å; Q160-Q162 VanDerWaalsContact C-N 3.32Å; Q160-Q162 PolarHBondContact O-N 3Å; Q162-K166 WeakPolarHBondContact O-CG 3.32Å; Q162-K166 PolarHBondContact O-N 3.27Å |
| 163 | L | 88.9 | Confident | 86.3 | Confident | 31 Ų | 31 | 83.7 Ų | 83.7 | 16% | 0.162 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -67.9 | -40.6 | 176.3 | -71.6 | 174.7 | 0 | 0 | 0 | 111.7 | H159 Q160 D161 K166 G167 L168 F169 | H159-L163 WeakPolarHBondContact O-CG 3Å; H159-L163 PolarHBondContact O-N 3.42Å; Q160-L163 PolarHBondContact O-N 2.95Å; D161-L163 PolarHBondContact O-N 3.03Å; L163-K166 PolarHBondContact O-N 3Å; L163-G167 PolarHBondContact O-N 3.45Å; L163-G167 VanDerWaalsContact O-N 3.16Å; L163-L168 PolarHBondContact O-N 3.28Å; L163-F169 HydrophobicContact CB-CD2 4.36Å |
| 164 | R | 88.8 | Confident | 85.1 | Confident | 137 Ų | 137 | 91.9 Ų | 91.9 | 52% | 0.517 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.7 | -45.2 | 175.1 | -72.2 | 175.9 | -178.2 | 173.6 | -0.2 | 111.6 | Q160 D161 K166 G167 F169 | Q160-R164 WeakPolarHBondContact O-CG 3.33Å; Q160-R164 PolarHBondContact O-N 2.95Å; D161-R164 PolarHBondContact O-N 3.43Å; D161-R164 IonicContact OD1-NH1 4Å; R164-K166 PolarHBondContact O-N 3.26Å; R164-G167 PolarHBondContact O-N 3.07Å; R164-F169 HydrophobicContact CG-CB 4.26Å; R164-F169 HydrophobicContact CG-CD2 3.51Å; R164-F169 HydrophobicContact CG-CE2 4.1Å; R164-F169 HydrophobicContact CG-CG 4.04Å |
| 165 | A | 91.7 | Very high | 84.2 | Confident | 91 Ų | 91 | 96.5 Ų | 96.5 | 75% | 0.752 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -59.9 | -31.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | D161 | D161-A165 WeakPolarHBondContact O-CB 3.4Å; D161-A165 PolarHBondContact O-N 3.09Å |
| 166 | K | 91.8 | Very high | 83.6 | Confident | 150 Ų | 150 | 90.8 Ų | 90.8 | 65% | 0.652 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -5 | 175.6 | -68.8 | 176.1 | -179.4 | -179.5 | 0 | 114 | Q162 L163 R164 L168 | Q162-K166 WeakPolarHBondContact O-CG 3.32Å; Q162-K166 PolarHBondContact O-N 3.27Å; L163-K166 PolarHBondContact O-N 3Å; R164-K166 PolarHBondContact O-N 3.26Å; K166-L168 HydrophobicContact CB-CD1 4.24Å; K166-L168 HydrophobicContact CB-CG 4.31Å; K166-L168 PolarHBondContact O-N 3.31Å |
| 167 | G | 86.8 | Confident | 83.1 | Confident | 67 Ų | 67 | 95 Ų | 95 | 69% | 0.691 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.7 | 12.3 | -174 | 0 | 0 | 0 | 0 | 0 | 114.7 | L163 R164 | L163-G167 PolarHBondContact O-N 3.45Å; L163-G167 VanDerWaalsContact O-N 3.16Å; R164-G167 PolarHBondContact O-N 3.07Å |
| 168 | L | 82.4 | Confident | 82.6 | Confident | 122 Ų | 122 | 94.7 Ų | 94.7 | 64% | 0.639 | 51% | 0.505 | S | S | * | . | trans | -101.9 | 29.3 | -176.3 | -66.2 | 173 | 0 | 0 | 0 | 112 | L163 K166 P170 | L163-L168 PolarHBondContact O-N 3.28Å; K166-L168 HydrophobicContact CB-CD1 4.24Å; K166-L168 HydrophobicContact CB-CG 4.31Å; K166-L168 PolarHBondContact O-N 3.31Å; L168-P170 WeakPolarHBondContact O-CD 3.39Å | ||
| 169 | F | 76.3 | Confident | 82.1 | Confident | 73 Ų | 73 | 91 Ų | 91 | 32% | 0.32 | 51% | 0.506 | S | S | . | . | trans | -68.2 | 123.5 | -178.1 | -164.3 | -100 | 0 | 0 | 0 | 109.8 | Q160 L163 R164 T171 P216 | Q160-F169 HydrophobicContact CB-CE2 4.15Å; Q160-F169 HydrophobicContact CG-CE2 4.29Å; L163-F169 HydrophobicContact CB-CD2 4.36Å; R164-F169 HydrophobicContact CG-CB 4.26Å; R164-F169 HydrophobicContact CG-CD2 3.51Å; R164-F169 HydrophobicContact CG-CE2 4.1Å; R164-F169 HydrophobicContact CG-CG 4.04Å; F169-T171 PolarHBondContact O-N 2.94Å; F169-P216 HydrophobicContact CZ-CB 4.04Å; F169-P216 HydrophobicContact CZ-CG 3.88Å | ||
| 170 | P | 71.6 | Confident | 82 | Confident | 49 Ų | 49 | 92.2 Ų | 92.2 | 32% | 0.318 | 52% | 0.519 | S | S | . | . | trans | -61.7 | 127.1 | -176.9 | -20 | 30.4 | 0 | 0 | 0 | 111 | L168 E172 | L168-P170 WeakPolarHBondContact O-CD 3.39Å; P170-E172 VanDerWaalsContact C-N 3.27Å | ||
| 171 | T | 68.3 | Low | 82.1 | Confident | 145 Ų | 145 | 92.4 Ų | 92.4 | 89% | 0.89 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -67.1 | -32.6 | 172.8 | -39 | 0 | 0 | 0 | 0 | 111.3 | F169 | F169-T171 PolarHBondContact O-N 2.94Š|
| 172 | E | 69.5 | Low | 82.2 | Confident | 169 Ų | 169 | 91.8 Ų | 91.8 | 79% | 0.79 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -120 | 105.3 | 172.7 | -66.2 | -171.4 | 176.4 | 0 | 0 | 109.9 | P170 K174 | P170-E172 VanDerWaalsContact C-N 3.27Å; E172-K174 PolarHBondContact O-N 3.2Å |
| 173 | P | 70.9 | Confident | 82.5 | Confident | 52 Ų | 52 | 88.2 Ų | 88.2 | 34% | 0.338 | 50% | 0.495 | S | S | . | . | trans | -70 | 125.4 | 178.1 | 27.3 | -32 | 0 | 0 | 0 | 109.9 | Q175 P216 | P173-Q175 PolarHBondContact O-N 3.48Å; P173-P216 HydrophobicContact CB-CB 3.95Å; P173-P216 HydrophobicContact CG-CB 4.47Å | ||
| 174 | K | 70.1 | Confident | 82.8 | Confident | 173 Ų | 173 | 87.3 Ų | 87.3 | 75% | 0.752 | 49% | 0.49 | S | S | * | . | trans | -62.7 | 105.3 | 169.8 | -68.3 | -177.4 | -179.7 | 179.6 | 0 | 109.2 | E172 | E172-K174 PolarHBondContact O-N 3.2Š| ||
| 175 | Q | 76.1 | Confident | 83.2 | Confident | 158 Ų | 158 | 83.2 Ų | 83.2 | 74% | 0.738 | 48% | 0.481 | S | S | * | . | trans | -81.2 | 152.7 | 174 | -67.3 | -176.9 | 4.6 | 0 | 0 | 110.7 | P173 A177 | P173-Q175 PolarHBondContact O-N 3.48Å; Q175-A177 PolarHBondContact O-N 3.05Å | ||
| 176 | I | 81.1 | Confident | 83.4 | Confident | 14 Ų | 14 | 82.2 Ų | 82.2 | 7% | 0.072 | 46% | 0.459 | C | S | . | . | trans | -68.7 | 127 | 174.4 | -63.9 | 162.1 | 0 | 0 | 0 | 108.9 | L178 L213 C218 Q222 V225 | I176-L178 HydrophobicContact CB-CD2 4.3Å; I176-L178 HydrophobicContact CG2-CD2 3.69Å; I176-L178 HydrophobicContact CG2-CG 4.31Å; I176-L178 PolarHBondContact O-N 3.29Å; I176-L213 HydrophobicContact CD1-CD2 3.82Å; I176-C218 HydrophobicContact CD1-CB 4.11Å; I176-C218 WeakPolarHBondContact CD1-O 3.32Å; I176-Q222 HydrophobicContact CD1-CB 4.28Å; I176-Q222 HydrophobicContact CG1-CB 4.2Å; I176-Q222 HydrophobicContact CG1-CG 4.38Å; I176-Q222 HydrophobicContact CG2-CG 3.99Å; I176-V225 HydrophobicContact CD1-CB 4.36Å; I176-V225 HydrophobicContact CD1-CG2 4.1Å | ||
| 177 | A | 82.5 | Confident | 83.6 | Confident | 88 Ų | 88 | 82.4 Ų | 82.4 | 73% | 0.727 | 46% | 0.462 | S | S | * | . | trans | -74.7 | 103.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | Q175 | Q175-A177 PolarHBondContact O-N 3.05Š| ||
| 178 | L | 81.6 | Confident | 84 | Confident | 50 Ų | 50 | 81.4 Ų | 81.4 | 26% | 0.262 | 44% | 0.44 | S | S | . | . | trans | -83.8 | -18.3 | -173.6 | -64.4 | 169.2 | 0 | 0 | 0 | 113.7 | I176 S181 L213 V225 | I176-L178 HydrophobicContact CB-CD2 4.3Å; I176-L178 HydrophobicContact CG2-CD2 3.69Å; I176-L178 HydrophobicContact CG2-CG 4.31Å; I176-L178 PolarHBondContact O-N 3.29Å; L178-S181 WeakPolarHBondContact O-CB 3.48Å; L178-S181 PolarHBondContact O-OG 3.08Å; L178-L213 HydrophobicContact CD1-CD1 3.98Å; L178-L213 HydrophobicContact CD1-CD2 4.46Å; L178-L213 HydrophobicContact CD2-CD2 4.25Å; L178-V225 HydrophobicContact CD2-CG1 4.08Å | ||
| 179 | G | 83.3 | Confident | 84.6 | Confident | 62 Ų | 62 | 75.9 Ų | 75.9 | 64% | 0.639 | 41% | 0.411 | S | S | * | . | trans | 55.4 | -161.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | S181 | G179-S181 PolarHBondContact O-N 3.4Š| ||
| 180 | P | 88.3 | Confident | 85.5 | Confident | 85 Ų | 85 | 74.7 Ų | 74.7 | 55% | 0.552 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -77.5 | 71.5 | 171.1 | 33.8 | -34 | 0 | 0 | 0 | 109.6 | L232 | P180-L232 WeakPolarHBondContact O-CA 3.44Å; P180-L232 WeakPolarHBondContact O-CB 3.27Å; P180-L232 PolarHBondContact O-N 3.38Å |
| 181 | S | 92.1 | Very high | 86.5 | Confident | 20 Ų | 20 | 75.4 Ų | 75.4 | 14% | 0.14 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 148.4 | 176.4 | 64.1 | 0 | 0 | 0 | 0 | 111.6 | L178 G179 R229 Q230 | L178-S181 WeakPolarHBondContact O-CB 3.48Å; L178-S181 PolarHBondContact O-OG 3.08Å; G179-S181 PolarHBondContact O-N 3.4Å; S181-R229 PolarHBondContact OG-NH1 3.33Å; S181-Q230 CarbonylContact C-O 3.6Å; S181-Q230 VanDerWaalsContact CA-O 3.27Å; S181-Q230 WeakPolarHBondContact CA-O 3.25Å; S181-Q230 WeakPolarHBondContact CB-O 3.4Å |
| 182 | R | 94.1 | Very high | 87.7 | Confident | 78 Ų | 78 | 73.6 Ų | 73.6 | 29% | 0.294 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 157.4 | 171.7 | 65 | 167.8 | -178.6 | 82.7 | -9.2 | 111 | E188 R229 Q230 L232 | R182-E188 IonicContact CZ-OE1 2.66Å; R182-E188 IonicContact CZ-OE2 3.62Å; R182-E188 IonicContact NH1-OE1 3.72Å; R182-E188 IonicContact NH1-OE2 3.17Å; R182-E188 PolarHBondContact NH1-OE2 3.05Å; R182-E188 IonicContact NH2-OE1 3.83Å; R182-E188 PolarHBondContact NH2-OE1 3.18Å; R182-E188 IonicContact NH2-OE2 3.15Å; R182-R229 WeakPolarHBondContact O-CA 3.45Å; R182-Q230 HydrophobicContact CG-CB 4.39Å; R182-Q230 PolarHBondContact N-O 2.94Å; R182-Q230 PolarHBondContact O-N 3.23Å; R182-L232 HydrophobicContact CB-CD1 4.06Å; R182-L232 HydrophobicContact CB-CG 4.47Å; R182-L232 HydrophobicContact CG-CD1 4.08Å; R182-L232 HydrophobicContact CG-CD2 3.98Å; R182-L232 HydrophobicContact CG-CG 4.05Å |
| 183 | W | 95.5 | Very high | 88.9 | Confident | 38 Ų | 38 | 67.1 Ų | 67.1 | 14% | 0.144 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 151.4 | 165.9 | -65.1 | 121.3 | 0 | 0 | 0 | 111 | I206 M209 L213 V225 R229 | W183-I206 HydrophobicContact CB-CD1 3.87Å; W183-I206 HydrophobicContact CD2-CD1 4.19Å; W183-I206 HydrophobicContact CG-CD1 3.83Å; W183-M209 HydrophobicContact CH2-CB 3.63Å; W183-M209 HydrophobicContact CH2-CE 3.71Å; W183-M209 HydrophobicContact CH2-CG 4.31Å; W183-M209 HydrophobicContact CZ2-CB 3.88Å; W183-M209 HydrophobicContact CZ3-CB 4.15Å; W183-M209 HydrophobicContact CZ3-CE 3.45Å; W183-M209 VanDerWaalsContact CZ3-CE 3.45Å; W183-M209 HydrophobicContact CZ3-CG 4.37Å; W183-L213 HydrophobicContact CH2-CD1 3.83Å; W183-L213 HydrophobicContact CZ2-CD1 3.53Å; W183-V225 HydrophobicContact CH2-CG1 4.02Å; W183-V225 HydrophobicContact CZ3-CG1 4.26Å; W183-R229 HydrophobicContact CD2-CG 4.31Å; W183-R229 VanDerWaalsContact CE2-NH2 3.29Å; W183-R229 HydrophobicContact CE3-CG 3.56Å; W183-R229 HydrophobicContact CZ3-CG 3.67Å |
| 184 | L | 96.1 | Very high | 90 | Very high | 12 Ų | 12 | 66.9 Ų | 66.9 | 6% | 0.063 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -57.3 | 137.7 | 168.5 | -71.9 | 163.2 | 0 | 0 | 0 | 110 | E188 L192 Y202 H228 Q230 | L184-E188 WeakPolarHBondContact CA-OE2 3.35Å; L184-E188 HydrophobicContact CB-CB 4.34Å; L184-E188 HydrophobicContact CD2-CB 3.97Å; L184-L192 HydrophobicContact CD1-CD1 3.43Å; L184-L192 VanDerWaalsContact CD1-CD1 3.43Å; L184-L192 HydrophobicContact CD2-CD1 4.14Å; L184-L192 HydrophobicContact CG-CD1 4.4Å; L184-Y202 WeakPolarHBondContact O-CE2 3.19Å; L184-Y202 PolarHBondContact O-OH 2.93Å; L184-H228 HydrophobicContact CD1-CB 4.13Å; L184-H228 WeakPolarHBondContact CG-O 3.47Å; L184-H228 PolarHBondContact N-O 2.91Å; L184-Q230 HydrophobicContact CD2-CG 3.73Å |
| 185 | T | 96.5 | Very high | 91.2 | Very high | 52 Ų | 52 | 58.9 Ų | 58.9 | 32% | 0.319 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 165.4 | 173.5 | 69.9 | 0 | 0 | 0 | 0 | 110.8 | E187 E188 M189 | T185-E187 VanDerWaalsContact C-N 3.28Å; T185-E187 PolarHBondContact O-N 2.81Å; T185-E188 PolarHBondContact N-OE2 3.41Å; T185-E188 PolarHBondContact O-N 3.3Å; T185-E188 VanDerWaalsContact OG1-CG 3.25Å; T185-E188 WeakPolarHBondContact OG1-CG 3.47Å; T185-E188 PolarHBondContact OG1-N 2.98Å; T185-E188 PolarHBondContact OG1-OE2 3.4Å; T185-M189 WeakPolarHBondContact O-CB 3.38Å; T185-M189 PolarHBondContact O-N 2.65Å |
| 186 | K | 96.3 | Very high | 92.1 | Very high | 70 Ų | 70 | 55.8 Ų | 55.8 | 30% | 0.304 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -53.3 | -46.3 | 173.7 | -175.8 | -173.3 | -174.5 | -79.2 | 0 | 112 | M189 E190 I197 Y202 | K186-M189 PolarHBondContact O-N 2.72Å; K186-E190 IonicContact NZ-OE1 2.64Å; K186-E190 PolarHBondContact NZ-OE1 3.26Å; K186-E190 IonicContact NZ-OE2 3.38Å; K186-E190 WeakPolarHBondContact O-CG 3.45Å; K186-E190 PolarHBondContact O-N 3.17Å; K186-I197 WeakPolarHBondContact CE-O 3.3Å; K186-I197 PolarHBondContact NZ-O 3.48Å; K186-Y202 HydrophobicContact CB-CD2 4.3Å; K186-Y202 HydrophobicContact CB-CG 4.31Å |
| 187 | E | 95.9 | Very high | 92.7 | Very high | 153 Ų | 153 | 55.5 Ų | 55.5 | 72% | 0.715 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -64.7 | -41.2 | -178.4 | -63.1 | 176.7 | -177.5 | 0 | 0 | 111.4 | T185 M189 E190 A191 | T185-E187 VanDerWaalsContact C-N 3.28Å; T185-E187 PolarHBondContact O-N 2.81Å; E187-M189 VanDerWaalsContact C-N 3.33Å; E187-E190 PolarHBondContact O-N 3.37Å; E187-A191 WeakPolarHBondContact O-CB 3.35Å; E187-A191 PolarHBondContact O-N 3.48Å |
| 188 | E | 95.3 | Very high | 93.4 | Very high | 46 Ų | 46 | 53.7 Ų | 53.7 | 22% | 0.215 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.5 | -39.8 | 175.2 | -67.7 | 165.4 | 169.5 | 0 | 0 | 111.2 | R182 L184 T185 A191 L192 Q230 | R182-E188 IonicContact CZ-OE1 2.66Å; R182-E188 IonicContact CZ-OE2 3.62Å; R182-E188 IonicContact NH1-OE1 3.72Å; R182-E188 IonicContact NH1-OE2 3.17Å; R182-E188 PolarHBondContact NH1-OE2 3.05Å; R182-E188 IonicContact NH2-OE1 3.83Å; R182-E188 PolarHBondContact NH2-OE1 3.18Å; R182-E188 IonicContact NH2-OE2 3.15Å; L184-E188 WeakPolarHBondContact CA-OE2 3.35Å; L184-E188 HydrophobicContact CB-CB 4.34Å; L184-E188 HydrophobicContact CD2-CB 3.97Å; T185-E188 PolarHBondContact N-OE2 3.41Å; T185-E188 PolarHBondContact O-N 3.3Å; T185-E188 VanDerWaalsContact OG1-CG 3.25Å; T185-E188 WeakPolarHBondContact OG1-CG 3.47Å; T185-E188 PolarHBondContact OG1-N 2.98Å; T185-E188 PolarHBondContact OG1-OE2 3.4Å; E188-A191 PolarHBondContact O-N 3.29Å; E188-L192 WeakPolarHBondContact O-CB 3.37Å; E188-L192 VanDerWaalsContact O-CG 3.26Å; E188-L192 WeakPolarHBondContact O-CG 3.48Å; E188-L192 PolarHBondContact O-N 3.33Å; E188-Q230 PolarHBondContact OE1-NE2 3.29Å; E188-Q230 PolarHBondContact OE1-OE1 3.35Å; E188-Q230 PolarHBondContact OE2-NE2 3.22Å |
| 189 | M | 95 | Very high | 94.1 | Very high | 6 Ų | 6 | 59.7 Ų | 59.7 | 3% | 0.03 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67.9 | -40.3 | 177.2 | -167.3 | 174.3 | -179.3 | 0 | 0 | 112.3 | Y142 L145 T185 K186 E187 A191 L192 L193 I197 Y202 F205 | Y142-M189 HydrophobicContact CD2-CE 4.27Å; Y142-M189 HydrophobicContact CE2-CE 4.44Å; L145-M189 HydrophobicContact CD1-CE 4.27Å; L145-M189 HydrophobicContact CD2-CE 3.83Å; T185-M189 WeakPolarHBondContact O-CB 3.38Å; T185-M189 PolarHBondContact O-N 2.65Å; K186-M189 PolarHBondContact O-N 2.72Å; E187-M189 VanDerWaalsContact C-N 3.33Å; M189-A191 VanDerWaalsContact C-N 3.33Å; M189-L192 PolarHBondContact O-N 3.44Å; M189-L193 HydrophobicContact CE-CD1 4.02Å; M189-L193 HydrophobicContact CG-CD1 4.22Å; M189-L193 WeakPolarHBondContact O-CG 3.45Å; M189-L193 PolarHBondContact O-N 3.07Å; M189-I197 HydrophobicContact CB-CD1 4.13Å; M189-I197 HydrophobicContact CE-CD1 4.49Å; M189-I197 HydrophobicContact CG-CD1 3.68Å; M189-I197 HydrophobicContact SD-CD1 4.14Å; M189-Y202 HydrophobicContact SD-CD2 3.87Å; M189-Y202 HydrophobicContact SD-CE2 4.37Å; M189-F205 HydrophobicContact CE-CB 4.22Å; M189-F205 HydrophobicContact CE-CD1 3.69Å; M189-F205 HydrophobicContact CE-CD2 3.9Å; M189-F205 HydrophobicContact CE-CE1 3.97Å; M189-F205 HydrophobicContact CE-CE2 4.16Å; M189-F205 HydrophobicContact CE-CG 3.65Å; M189-F205 HydrophobicContact CE-CZ 4.18Å; M189-F205 HydrophobicContact SD-CD1 3.7Å; M189-F205 HydrophobicContact SD-CE1 3.98Å; M189-F205 HydrophobicContact SD-CG 4.21Å |
| 190 | E | 95.3 | Very high | 94.8 | Very high | 49 Ų | 49 | 62.8 Ų | 62.8 | 23% | 0.229 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.4 | -41.1 | 173.3 | -72.4 | -179.4 | 162.4 | 0 | 0 | 111.4 | K186 E187 V194 E195 I197 | K186-E190 IonicContact NZ-OE1 2.64Å; K186-E190 PolarHBondContact NZ-OE1 3.26Å; K186-E190 IonicContact NZ-OE2 3.38Å; K186-E190 WeakPolarHBondContact O-CG 3.45Å; K186-E190 PolarHBondContact O-N 3.17Å; E187-E190 PolarHBondContact O-N 3.37Å; E190-V194 VanDerWaalsContact O-CA 3.27Å; E190-V194 WeakPolarHBondContact O-CA 3.4Å; E190-V194 PolarHBondContact O-N 3.02Å; E190-E195 WeakPolarHBondContact CA-O 3.36Å; E190-E195 WeakPolarHBondContact CB-O 2.94Å; E190-E195 WeakPolarHBondContact CG-O 3.49Å; E190-E195 PolarHBondContact O-N 2.96Å; E190-I197 HydrophobicContact CG-CB 3.9Å; E190-I197 HydrophobicContact CG-CD1 3.9Å; E190-I197 HydrophobicContact CG-CG1 3.86Å; E190-I197 PolarHBondContact OE1-N 3.18Å |
| 191 | A | 93.9 | Very high | 95.2 | Very high | 63 Ų | 63 | 60 Ų | 60 | 52% | 0.521 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -66.9 | -35.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | E187 E188 M189 | E187-A191 WeakPolarHBondContact O-CB 3.35Å; E187-A191 PolarHBondContact O-N 3.48Å; E188-A191 PolarHBondContact O-N 3.29Å; M189-A191 VanDerWaalsContact C-N 3.33Å |
| 192 | L | 93.3 | Very high | 95.4 | Very high | 107 Ų | 107 | 61.2 Ų | 61.2 | 56% | 0.56 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -69.7 | -45.6 | 176 | -75.9 | 168.9 | 0 | 0 | 0 | 112.3 | L184 E188 M189 | L184-L192 HydrophobicContact CD1-CD1 3.43Å; L184-L192 VanDerWaalsContact CD1-CD1 3.43Å; L184-L192 HydrophobicContact CD2-CD1 4.14Å; L184-L192 HydrophobicContact CG-CD1 4.4Å; E188-L192 WeakPolarHBondContact O-CB 3.37Å; E188-L192 VanDerWaalsContact O-CG 3.26Å; E188-L192 WeakPolarHBondContact O-CG 3.48Å; E188-L192 PolarHBondContact O-N 3.33Å; M189-L192 PolarHBondContact O-N 3.44Å |
| 193 | L | 93.9 | Very high | 95.6 | Very high | 33 Ų | 33 | 61.2 Ų | 61.2 | 17% | 0.173 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -82.6 | -17.2 | -178.2 | -64.6 | -179.1 | 0 | 0 | 0 | 113 | A141 Y142 L145 M189 E195 I197 | A141-L193 HydrophobicContact CB-CB 4.25Å; A141-L193 HydrophobicContact CB-CD2 4.08Å; Y142-L193 HydrophobicContact CD2-CD1 4.49Å; L145-L193 HydrophobicContact CD1-CD2 4.14Å; M189-L193 HydrophobicContact CE-CD1 4.02Å; M189-L193 HydrophobicContact CG-CD1 4.22Å; M189-L193 WeakPolarHBondContact O-CG 3.45Å; M189-L193 PolarHBondContact O-N 3.07Å; L193-E195 HydrophobicContact CB-CB 4.32Å; L193-E195 HydrophobicContact CB-CG 4.13Å; L193-E195 VanDerWaalsContact O-CG 3.26Å; L193-E195 WeakPolarHBondContact O-CG 3.26Å; L193-E195 PolarHBondContact O-N 3.18Å; L193-I197 HydrophobicContact CD1-CD1 3.84Å |
| 194 | V | 94.9 | Very high | 95.6 | Very high | 47 Ų | 47 | 64.1 Ų | 64.1 | 29% | 0.285 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 37.1 | -171.1 | -163 | 0 | 0 | 0 | 0 | 110.1 | K118 R120 E190 | K118-V194 HydrophobicContact CB-CG1 4.35Å; K118-V194 HydrophobicContact CB-CG2 4.01Å; K118-V194 WeakPolarHBondContact O-CG1 3.43Å; R120-V194 HydrophobicContact CG-CB 4.32Å; R120-V194 HydrophobicContact CG-CG1 3.96Å; R120-V194 PolarHBondContact NE-O 3.49Å; R120-V194 PolarHBondContact NH2-O 3.26Å; E190-V194 VanDerWaalsContact O-CA 3.27Å; E190-V194 WeakPolarHBondContact O-CA 3.4Å; E190-V194 PolarHBondContact O-N 3.02Å |
| 195 | E | 94.1 | Very high | 95.6 | Very high | 6 Ų | 6 | 63.7 Ų | 63.7 | 3% | 0.028 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -135.8 | 141.3 | -179.6 | -48.2 | -149.5 | 131.8 | 0 | 0 | 110.9 | R120 K139 Q140 A141 Y142 E190 L193 | R120-E195 IonicContact CZ-OE1 3.84Å; R120-E195 IonicContact NE-OE1 2.78Å; R120-E195 IonicContact NH1-OE1 2.7Å; R120-E195 PolarHBondContact NH1-OE1 3.28Å; R120-E195 IonicContact NH2-OE1 2.91Å; R120-E195 PolarHBondContact NH2-OE1 2.9Å; R120-E195 VanDerWaalsContact NH2-OE1 3.15Å; K139-E195 VanDerWaalsContact CA-OE2 3.3Å; K139-E195 WeakPolarHBondContact CA-OE2 3.35Å; Q140-E195 PolarHBondContact N-OE1 3.3Å; Q140-E195 PolarHBondContact N-OE2 2.92Å; A141-E195 VanDerWaalsContact CB-CD 3.42Å; A141-E195 HydrophobicContact CB-CG 3.81Å; A141-E195 PolarHBondContact N-OE1 3.18Å; A141-E195 PolarHBondContact N-OE2 3.06Å; A141-E195 VanDerWaalsContact N-OE2 3.14Å; Y142-E195 PolarHBondContact N-OE2 2.95Å; Y142-E195 VanDerWaalsContact N-OE2 3.13Å; E190-E195 WeakPolarHBondContact CA-O 3.36Å; E190-E195 WeakPolarHBondContact CB-O 2.94Å; E190-E195 WeakPolarHBondContact CG-O 3.49Å; E190-E195 PolarHBondContact O-N 2.96Å; L193-E195 HydrophobicContact CB-CB 4.32Å; L193-E195 HydrophobicContact CB-CG 4.13Å; L193-E195 VanDerWaalsContact O-CG 3.26Å; L193-E195 WeakPolarHBondContact O-CG 3.26Å; L193-E195 PolarHBondContact O-N 3.18Å |
| 196 | P | 94.5 | Very high | 95.6 | Very high | 93 Ų | 93 | 62.2 Ų | 62.2 | 60% | 0.604 | 31% | 0.313 | S | S | * | . | trans | -73.3 | 131.6 | 171.2 | 30.5 | -33 | 0 | 0 | 0 | 110.1 | ||||
| 197 | I | 94.9 | Very high | 95.6 | Very high | 8 Ų | 8 | 64.2 Ų | 64.2 | 4% | 0.041 | 32% | 0.323 | C | S | . | . | trans | -117.2 | 139.1 | -175 | -58.8 | 169.1 | 0 | 0 | 0 | 108.4 | Y142 K186 M189 E190 L193 D201 | Y142-I197 HydrophobicContact CD2-CG2 4.49Å; K186-I197 WeakPolarHBondContact CE-O 3.3Å; K186-I197 PolarHBondContact NZ-O 3.48Å; M189-I197 HydrophobicContact CB-CD1 4.13Å; M189-I197 HydrophobicContact CE-CD1 4.49Å; M189-I197 HydrophobicContact CG-CD1 3.68Å; M189-I197 HydrophobicContact SD-CD1 4.14Å; E190-I197 HydrophobicContact CG-CB 3.9Å; E190-I197 HydrophobicContact CG-CD1 3.9Å; E190-I197 HydrophobicContact CG-CG1 3.86Å; E190-I197 PolarHBondContact OE1-N 3.18Å; L193-I197 HydrophobicContact CD1-CD1 3.84Å; I197-D201 HydrophobicContact CG2-CB 3.65Å | ||
| 198 | S | 96.9 | Very high | 95.6 | Very high | 49 Ų | 49 | 58.8 Ų | 58.8 | 34% | 0.343 | 30% | 0.299 | S | S | . | . | trans | -74 | 154.1 | 171.7 | -175.2 | 0 | 0 | 0 | 0 | 110 | Q200 D201 Y202 | S198-Q200 PolarHBondContact O-N 3.31Å; S198-D201 VanDerWaalsContact CB-OD2 3.22Å; S198-D201 WeakPolarHBondContact CB-OD2 3.25Å; S198-D201 PolarHBondContact N-OD2 2.98Å; S198-D201 VanDerWaalsContact N-OD2 3.13Å; S198-D201 WeakPolarHBondContact O-CB 3.3Å; S198-D201 PolarHBondContact O-N 3.45Å; S198-Y202 PolarHBondContact O-N 2.79Å; S198-Y202 VanDerWaalsContact O-N 3.09Å | ||
| 199 | R | 96.6 | Very high | 95.6 | Very high | 176 Ų | 176 | 56.6 Ų | 56.6 | 66% | 0.664 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -58.1 | -39 | 171.9 | -179.9 | 178.7 | 169.3 | 168.7 | 3.4 | 111.5 | Y202 E203 | R199-Y202 PolarHBondContact O-N 2.96Å; R199-E203 WeakPolarHBondContact CG-OE1 3.29Å; R199-E203 IonicContact CZ-OE1 3.24Å; R199-E203 IonicContact NE-OE1 3.87Å; R199-E203 PolarHBondContact NE-OE1 3.12Å; R199-E203 IonicContact NH2-OE1 2.62Å; R199-E203 WeakPolarHBondContact O-CG 3.49Å; R199-E203 PolarHBondContact O-N 3.04Å |
| 200 | Q | 97.3 | Very high | 95.5 | Very high | 128 Ų | 128 | 61.2 Ų | 61.2 | 60% | 0.598 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -61.2 | -49.7 | 176.8 | -67.8 | 173.5 | -0.1 | 0 | 0 | 110.7 | S198 Y202 E203 H204 | S198-Q200 PolarHBondContact O-N 3.31Å; Q200-Y202 VanDerWaalsContact C-N 3.27Å; Q200-Y202 PolarHBondContact O-N 2.91Å; Q200-E203 WeakPolarHBondContact O-CB 3.3Å; Q200-E203 PolarHBondContact O-N 2.76Å; Q200-H204 PolarHBondContact O-N 3.38Å; Q200-H204 PolarHBondContact O-ND1 2.85Å |
| 201 | D | 96 | Very high | 95.5 | Very high | 25 Ų | 25 | 64.1 Ų | 64.1 | 13% | 0.134 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -54 | -46 | 177.8 | -61.8 | -23.7 | 0 | 0 | 0 | 111.4 | K139 Y142 I197 S198 E203 H204 F205 | K139-D201 IonicContact NZ-OD2 3.63Å; K139-D201 PolarHBondContact NZ-OD2 2.87Å; Y142-D201 HydrophobicContact CE1-CB 4.08Å; Y142-D201 HydrophobicContact CE2-CB 3.99Å; Y142-D201 WeakPolarHBondContact OH-CA 3.5Å; Y142-D201 PolarHBondContact OH-O 2.68Å; I197-D201 HydrophobicContact CG2-CB 3.65Å; S198-D201 VanDerWaalsContact CB-OD2 3.22Å; S198-D201 WeakPolarHBondContact CB-OD2 3.25Å; S198-D201 PolarHBondContact N-OD2 2.98Å; S198-D201 VanDerWaalsContact N-OD2 3.13Å; S198-D201 WeakPolarHBondContact O-CB 3.3Å; S198-D201 PolarHBondContact O-N 3.45Å; D201-E203 PolarHBondContact O-N 3.36Å; D201-H204 PolarHBondContact O-N 2.8Å; D201-F205 PolarHBondContact O-N 3.21Å |
| 202 | Y | 96.9 | Very high | 95.4 | Very high | 47 Ų | 47 | 61.1 Ų | 61.1 | 18% | 0.184 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.8 | -43.5 | 175.7 | 173.9 | -96.1 | 0 | 0 | 0 | 112.5 | L184 K186 M189 S198 R199 Q200 H204 F205 I206 | L184-Y202 WeakPolarHBondContact O-CE2 3.19Å; L184-Y202 PolarHBondContact O-OH 2.93Å; K186-Y202 HydrophobicContact CB-CD2 4.3Å; K186-Y202 HydrophobicContact CB-CG 4.31Å; M189-Y202 HydrophobicContact SD-CD2 3.87Å; M189-Y202 HydrophobicContact SD-CE2 4.37Å; S198-Y202 PolarHBondContact O-N 2.79Å; S198-Y202 VanDerWaalsContact O-N 3.09Å; R199-Y202 PolarHBondContact O-N 2.96Å; Q200-Y202 VanDerWaalsContact C-N 3.27Å; Q200-Y202 PolarHBondContact O-N 2.91Å; Y202-H204 VanDerWaalsContact C-N 3.33Å; Y202-H204 PolarHBondContact O-N 3.35Å; Y202-F205 WeakPolarHBondContact O-CB 3.38Å; Y202-F205 PolarHBondContact O-N 3.03Å; Y202-I206 HydrophobicContact CD1-CG1 4.35Å; Y202-I206 HydrophobicContact CE1-CG1 3.84Å; Y202-I206 HydrophobicContact CE2-CD1 4.09Å; Y202-I206 HydrophobicContact CE2-CG1 4.07Å; Y202-I206 WeakPolarHBondContact O-CG1 3.45Å; Y202-I206 PolarHBondContact O-N 3.24Å |
| 203 | E | 97.6 | Very high | 95.3 | Very high | 77 Ų | 77 | 57.5 Ų | 57.5 | 36% | 0.36 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.3 | -40.2 | 175.8 | -72.1 | 167.6 | -175.9 | 0 | 0 | 111.8 | R199 Q200 D201 I206 Q207 | R199-E203 WeakPolarHBondContact CG-OE1 3.29Å; R199-E203 IonicContact CZ-OE1 3.24Å; R199-E203 IonicContact NE-OE1 3.87Å; R199-E203 PolarHBondContact NE-OE1 3.12Å; R199-E203 IonicContact NH2-OE1 2.62Å; R199-E203 WeakPolarHBondContact O-CG 3.49Å; R199-E203 PolarHBondContact O-N 3.04Å; Q200-E203 WeakPolarHBondContact O-CB 3.3Å; Q200-E203 PolarHBondContact O-N 2.76Å; D201-E203 PolarHBondContact O-N 3.36Å; E203-I206 PolarHBondContact O-N 3Å; E203-Q207 VanDerWaalsContact O-CG 3.26Å; E203-Q207 WeakPolarHBondContact O-CG 3.49Å; E203-Q207 PolarHBondContact O-N 3.34Å |
| 204 | H | 96.6 | Very high | 95.1 | Very high | 99 Ų | 99 | 60 Ų | 60 | 46% | 0.458 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.1 | -41.3 | 175.2 | -69.6 | 84.7 | 0 | 0 | 0 | 112 | M146 Q200 D201 Y202 Q207 L208 | M146-H204 HydrophobicContact CE-CB 4.39Å; Q200-H204 PolarHBondContact O-N 3.38Å; Q200-H204 PolarHBondContact O-ND1 2.85Å; D201-H204 PolarHBondContact O-N 2.8Å; Y202-H204 VanDerWaalsContact C-N 3.33Å; Y202-H204 PolarHBondContact O-N 3.35Å; H204-Q207 PolarHBondContact O-N 3.37Å; H204-L208 PolarHBondContact O-N 3.06Å; H204-L208 VanDerWaalsContact O-N 3.08Å |
| 205 | F | 96.6 | Very high | 94.7 | Very high | 4 Ų | 4 | 58.9 Ų | 58.9 | 2% | 0.018 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.2 | -48.1 | 175 | 167.4 | -106.4 | 0 | 0 | 0 | 111.5 | Y142 L145 M146 L149 M189 D201 Y202 Q207 L208 M209 H228 | Y142-F205 HydrophobicContact CE2-CB 4.45Å; L145-F205 HydrophobicContact CD2-CD2 3.4Å; L145-F205 HydrophobicContact CD2-CE2 3.35Å; L145-F205 HydrophobicContact CD2-CG 4.43Å; L145-F205 HydrophobicContact CD2-CZ 4.35Å; L145-F205 HydrophobicContact CG-CE2 4.32Å; M146-F205 HydrophobicContact SD-CB 3.92Å; M146-F205 HydrophobicContact SD-CD2 3.99Å; M146-F205 HydrophobicContact SD-CG 4.47Å; L149-F205 HydrophobicContact CD1-CD2 3.7Å; L149-F205 HydrophobicContact CD1-CE2 3.67Å; M189-F205 HydrophobicContact CE-CB 4.22Å; M189-F205 HydrophobicContact CE-CD1 3.69Å; M189-F205 HydrophobicContact CE-CD2 3.9Å; M189-F205 HydrophobicContact CE-CE1 3.97Å; M189-F205 HydrophobicContact CE-CE2 4.16Å; M189-F205 HydrophobicContact CE-CG 3.65Å; M189-F205 HydrophobicContact CE-CZ 4.18Å; M189-F205 HydrophobicContact SD-CD1 3.7Å; M189-F205 HydrophobicContact SD-CE1 3.98Å; M189-F205 HydrophobicContact SD-CG 4.21Å; D201-F205 PolarHBondContact O-N 3.21Å; Y202-F205 WeakPolarHBondContact O-CB 3.38Å; Y202-F205 PolarHBondContact O-N 3.03Å; F205-Q207 PolarHBondContact O-N 3.48Å; F205-L208 PolarHBondContact O-N 3.23Å; F205-M209 HydrophobicContact CD1-CG 4.5Å; F205-M209 HydrophobicContact CD2-CG 4.17Å; F205-M209 HydrophobicContact CE1-CG 4.04Å; F205-M209 HydrophobicContact CE2-CG 3.67Å; F205-M209 HydrophobicContact CE2-SD 3.97Å; F205-M209 HydrophobicContact CZ-CE 4.43Å; F205-M209 HydrophobicContact CZ-CG 3.61Å; F205-M209 HydrophobicContact CZ-SD 4.07Å; F205-M209 WeakPolarHBondContact O-CG 3.37Å; F205-M209 PolarHBondContact O-N 3.24Å; F205-H228 HydrophobicContact CZ-CB 4.3Å |
| 206 | I | 96.7 | Very high | 94.2 | Very high | 20 Ų | 20 | 60.3 Ų | 60.3 | 10% | 0.103 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.6 | -43.4 | 178.8 | -63.7 | -59.7 | 0 | 0 | 0 | 111.2 | W183 Y202 E203 L208 M209 E210 | W183-I206 HydrophobicContact CB-CD1 3.87Å; W183-I206 HydrophobicContact CD2-CD1 4.19Å; W183-I206 HydrophobicContact CG-CD1 3.83Å; Y202-I206 HydrophobicContact CD1-CG1 4.35Å; Y202-I206 HydrophobicContact CE1-CG1 3.84Å; Y202-I206 HydrophobicContact CE2-CD1 4.09Å; Y202-I206 HydrophobicContact CE2-CG1 4.07Å; Y202-I206 WeakPolarHBondContact O-CG1 3.45Å; Y202-I206 PolarHBondContact O-N 3.24Å; E203-I206 PolarHBondContact O-N 3Å; I206-L208 VanDerWaalsContact C-N 3.28Å; I206-L208 PolarHBondContact O-N 3.16Å; I206-M209 PolarHBondContact O-N 2.97Å; I206-M209 VanDerWaalsContact O-N 3.13Å; I206-E210 HydrophobicContact CG2-CG 4.18Å; I206-E210 WeakPolarHBondContact CG2-OE1 3.43Å; I206-E210 WeakPolarHBondContact O-CB 3.48Å; I206-E210 WeakPolarHBondContact O-CG 3.47Å; I206-E210 PolarHBondContact O-N 2.93Å |
| 207 | Q | 96.5 | Very high | 93.5 | Very high | 113 Ų | 113 | 56.5 Ų | 56.5 | 53% | 0.528 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -57.1 | -40.9 | 176 | -74.5 | 170.6 | 4.3 | 0 | 0 | 112.3 | E203 H204 F205 R211 | E203-Q207 VanDerWaalsContact O-CG 3.26Å; E203-Q207 WeakPolarHBondContact O-CG 3.49Å; E203-Q207 PolarHBondContact O-N 3.34Å; H204-Q207 PolarHBondContact O-N 3.37Å; F205-Q207 PolarHBondContact O-N 3.48Å; Q207-R211 VanDerWaalsContact O-CB 3.32Å; Q207-R211 WeakPolarHBondContact O-CB 3.34Å; Q207-R211 PolarHBondContact O-N 3.43Å |
| 208 | L | 95.4 | Very high | 92.7 | Very high | 38 Ų | 38 | 56.2 Ų | 56.2 | 20% | 0.199 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -70.8 | -37.1 | 176.7 | -69.1 | -172.1 | 0 | 0 | 0 | 112.8 | M146 L149 H204 F205 I206 R211 L212 | M146-L208 HydrophobicContact CE-CD1 3.32Å; M146-L208 HydrophobicContact CE-CG 4.22Å; M146-L208 HydrophobicContact SD-CD1 4.2Å; L149-L208 HydrophobicContact CD1-CB 3.93Å; L149-L208 HydrophobicContact CD2-CB 3.57Å; L149-L208 HydrophobicContact CD2-CD1 4.2Å; L149-L208 HydrophobicContact CD2-CG 4.5Å; L149-L208 HydrophobicContact CG-CB 4.44Å; H204-L208 PolarHBondContact O-N 3.06Å; H204-L208 VanDerWaalsContact O-N 3.08Å; F205-L208 PolarHBondContact O-N 3.23Å; I206-L208 VanDerWaalsContact C-N 3.28Å; I206-L208 PolarHBondContact O-N 3.16Å; L208-R211 WeakPolarHBondContact O-CB 3.46Å; L208-R211 PolarHBondContact O-N 3.06Å; L208-L212 PolarHBondContact O-N 2.91Å |
| 209 | M | 94.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.4 | -42.1 | 174.6 | -70.6 | -63.5 | -78.7 | 0 | 0 | 111.9 | L149 W183 F205 I206 L212 L213 F224 V225 H228 | L149-M209 HydrophobicContact CD1-CG 3.78Å; L149-M209 HydrophobicContact CD1-SD 3.47Å; L149-M209 WeakPolarHBondContact CD1-SD 3.47Å; L149-M209 HydrophobicContact CG-SD 3.96Å; W183-M209 HydrophobicContact CH2-CB 3.63Å; W183-M209 HydrophobicContact CH2-CE 3.71Å; W183-M209 HydrophobicContact CH2-CG 4.31Å; W183-M209 HydrophobicContact CZ2-CB 3.88Å; W183-M209 HydrophobicContact CZ3-CB 4.15Å; W183-M209 HydrophobicContact CZ3-CE 3.45Å; W183-M209 VanDerWaalsContact CZ3-CE 3.45Å; W183-M209 HydrophobicContact CZ3-CG 4.37Å; F205-M209 HydrophobicContact CD1-CG 4.5Å; F205-M209 HydrophobicContact CD2-CG 4.17Å; F205-M209 HydrophobicContact CE1-CG 4.04Å; F205-M209 HydrophobicContact CE2-CG 3.67Å; F205-M209 HydrophobicContact CE2-SD 3.97Å; F205-M209 HydrophobicContact CZ-CE 4.43Å; F205-M209 HydrophobicContact CZ-CG 3.61Å; F205-M209 HydrophobicContact CZ-SD 4.07Å; F205-M209 WeakPolarHBondContact O-CG 3.37Å; F205-M209 PolarHBondContact O-N 3.24Å; I206-M209 PolarHBondContact O-N 2.97Å; I206-M209 VanDerWaalsContact O-N 3.13Å; M209-L212 WeakPolarHBondContact O-CB 3.37Å; M209-L212 PolarHBondContact O-N 2.89Å; M209-L213 WeakPolarHBondContact O-CG 3.29Å; M209-L213 PolarHBondContact O-N 3.04Å; M209-F224 HydrophobicContact CE-CD1 4.37Å; M209-F224 HydrophobicContact CE-CE1 4.23Å; M209-F224 HydrophobicContact SD-CD1 4.44Å; M209-F224 HydrophobicContact SD-CE1 3.84Å; M209-V225 HydrophobicContact CE-CG2 4.26Å; M209-H228 HydrophobicContact CE-CB 4.06Å |
| 210 | E | 93.6 | Very high | 91.6 | Very high | 103 Ų | 103 | 52.4 Ų | 52.4 | 48% | 0.481 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65 | -40.7 | 174.5 | -72.6 | 176.8 | 174.6 | 0 | 0 | 111.4 | I206 L212 L213 A214 | I206-E210 HydrophobicContact CG2-CG 4.18Å; I206-E210 WeakPolarHBondContact CG2-OE1 3.43Å; I206-E210 WeakPolarHBondContact O-CB 3.48Å; I206-E210 WeakPolarHBondContact O-CG 3.47Å; I206-E210 PolarHBondContact O-N 2.93Å; E210-L212 VanDerWaalsContact C-N 3.31Å; E210-L212 PolarHBondContact O-N 3.41Å; E210-L213 PolarHBondContact O-N 3.42Å; E210-A214 WeakPolarHBondContact O-CB 3.46Å; E210-A214 PolarHBondContact O-N 3.42Å |
| 211 | R | 94.2 | Very high | 91.1 | Very high | 111 Ų | 111 | 47.5 Ų | 47.5 | 42% | 0.419 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -57.8 | -44.9 | 170.9 | 177.7 | 179.8 | 167.1 | 177.9 | -4.5 | 111.1 | E157 Q207 L208 L213 A214 M215 | E157-R211 IonicContact OE1-NH2 3.01Å; E157-R211 PolarHBondContact OE1-NH2 3.28Å; Q207-R211 VanDerWaalsContact O-CB 3.32Å; Q207-R211 WeakPolarHBondContact O-CB 3.34Å; Q207-R211 PolarHBondContact O-N 3.43Å; L208-R211 WeakPolarHBondContact O-CB 3.46Å; L208-R211 PolarHBondContact O-N 3.06Å; R211-L213 VanDerWaalsContact C-N 3.31Å; R211-L213 PolarHBondContact O-N 2.98Å; R211-A214 PolarHBondContact O-N 3.41Å; R211-M215 WeakPolarHBondContact O-CG 3.43Å; R211-M215 PolarHBondContact O-N 2.96Å |
| 212 | L | 91.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.8 | -39.6 | 178.5 | -175.3 | 151 | 0 | 0 | 0 | 112 | R152 V153 L208 M209 E210 M215 E221 V225 | R152-L212 HydrophobicContact CB-CD1 4.11Å; V153-L212 HydrophobicContact CG2-CB 4.24Å; V153-L212 HydrophobicContact CG2-CD1 4.13Å; L208-L212 PolarHBondContact O-N 2.91Å; M209-L212 WeakPolarHBondContact O-CB 3.37Å; M209-L212 PolarHBondContact O-N 2.89Å; E210-L212 VanDerWaalsContact C-N 3.31Å; E210-L212 PolarHBondContact O-N 3.41Å; L212-M215 HydrophobicContact CB-CE 4.36Å; L212-M215 HydrophobicContact CG-CE 4.2Å; L212-M215 PolarHBondContact O-N 3.35Å; L212-E221 HydrophobicContact CD2-CB 4.24Å; L212-V225 HydrophobicContact CD2-CG2 3.69Å |
| 213 | L | 91 | Very high | 90.6 | Very high | 31 Ų | 31 | 56.7 Ų | 56.7 | 16% | 0.162 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.5 | -34.7 | 175.6 | -73.8 | 176.8 | 0 | 0 | 0 | 113.4 | I176 L178 W183 M209 E210 R211 M215 V225 | I176-L213 HydrophobicContact CD1-CD2 3.82Å; L178-L213 HydrophobicContact CD1-CD1 3.98Å; L178-L213 HydrophobicContact CD1-CD2 4.46Å; L178-L213 HydrophobicContact CD2-CD2 4.25Å; W183-L213 HydrophobicContact CH2-CD1 3.83Å; W183-L213 HydrophobicContact CZ2-CD1 3.53Å; M209-L213 WeakPolarHBondContact O-CG 3.29Å; M209-L213 PolarHBondContact O-N 3.04Å; E210-L213 PolarHBondContact O-N 3.42Å; R211-L213 VanDerWaalsContact C-N 3.31Å; R211-L213 PolarHBondContact O-N 2.98Å; L213-M215 PolarHBondContact O-N 3.21Å; L213-V225 HydrophobicContact CD2-CG1 3.99Å; L213-V225 HydrophobicContact CD2-CG2 4.22Å |
| 214 | A | 90.2 | Very high | 90.3 | Very high | 86 Ų | 86 | 53.9 Ų | 53.9 | 71% | 0.711 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -70.4 | -18.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | E210 R211 | E210-A214 WeakPolarHBondContact O-CB 3.46Å; E210-A214 PolarHBondContact O-N 3.42Å; R211-A214 PolarHBondContact O-N 3.41Å |
| 215 | M | 87.3 | Confident | 90.1 | Very high | 22 Ų | 22 | 49.2 Ų | 49.2 | 11% | 0.108 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -74.9 | 144.8 | -179.3 | -68.6 | -165.5 | -65.4 | 0 | 0 | 113.1 | V153 V156 E157 R211 L212 L213 | V153-M215 HydrophobicContact CB-CE 4.07Å; V153-M215 HydrophobicContact CG1-CE 3.8Å; V153-M215 HydrophobicContact CG1-SD 3.98Å; V153-M215 HydrophobicContact CG2-CE 4.07Å; V156-M215 HydrophobicContact CB-CE 3.79Å; V156-M215 HydrophobicContact CG1-CB 4.15Å; V156-M215 HydrophobicContact CG1-CE 3.72Å; V156-M215 HydrophobicContact CG1-SD 4.15Å; V156-M215 HydrophobicContact CG2-CE 4.36Å; E157-M215 HydrophobicContact CG-SD 4.04Å; R211-M215 WeakPolarHBondContact O-CG 3.43Å; R211-M215 PolarHBondContact O-N 2.96Å; L212-M215 HydrophobicContact CB-CE 4.36Å; L212-M215 HydrophobicContact CG-CE 4.2Å; L212-M215 PolarHBondContact O-N 3.35Å; L213-M215 PolarHBondContact O-N 3.21Å |
| 216 | P | 82.4 | Confident | 89.9 | Confident | 37 Ų | 37 | 51.7 Ų | 51.7 | 24% | 0.24 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | 142.9 | 171 | 23.9 | -27.7 | 0 | 0 | 0 | 110.7 | Q160 F169 P173 | Q160-P216 HydrophobicContact CG-CG 4.29Å; Q160-P216 VanDerWaalsContact NE2-CD 3.32Å; Q160-P216 PolarHBondContact NE2-O 3.38Å; F169-P216 HydrophobicContact CZ-CB 4.04Å; F169-P216 HydrophobicContact CZ-CG 3.88Å; P173-P216 HydrophobicContact CB-CB 3.95Å; P173-P216 HydrophobicContact CG-CB 4.47Å |
| 217 | C | 79.7 | Confident | 89.7 | Confident | 13 Ų | 13 | 54.2 Ų | 54.2 | 9% | 0.088 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.3 | 24.6 | -175 | -42.7 | 0 | 0 | 0 | 0 | 115.7 | S219 L220 | C217-S219 PolarHBondContact O-N 3.27Å; C217-S219 VanDerWaalsContact O-N 3.08Å; C217-L220 PolarHBondContact O-N 3.13Å |
| 218 | C | 80.1 | Confident | 89.6 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.014 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -59.5 | -19.1 | 176.9 | 62.9 | 0 | 0 | 0 | 0 | 114.2 | I176 L220 E221 | I176-C218 HydrophobicContact CD1-CB 4.11Å; I176-C218 WeakPolarHBondContact CD1-O 3.32Å; C218-L220 PolarHBondContact O-N 3.24Å; C218-L220 VanDerWaalsContact O-N 3.07Å; C218-E221 PolarHBondContact O-N 3.31Å |
| 219 | S | 83.3 | Confident | 89.5 | Confident | 50 Ų | 50 | 50 Ų | 50 | 35% | 0.35 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -54.9 | -26.2 | 178 | 60.7 | 0 | 0 | 0 | 0 | 114.7 | C217 E221 Q222 | C217-S219 PolarHBondContact O-N 3.27Å; C217-S219 VanDerWaalsContact O-N 3.08Å; S219-E221 PolarHBondContact O-N 2.91Å; S219-Q222 WeakPolarHBondContact O-CB 3.43Å; S219-Q222 PolarHBondContact O-N 2.96Å |
| 220 | L | 85.7 | Confident | 89.4 | Confident | 95 Ų | 95 | 53 Ų | 53 | 50% | 0.497 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -59.1 | -33.2 | 176.1 | -68.9 | 174.3 | 0 | 0 | 0 | 112.6 | H159 C217 C218 | H159-L220 HydrophobicContact CB-CD1 4.2Å; C217-L220 PolarHBondContact O-N 3.13Å; C218-L220 PolarHBondContact O-N 3.24Å; C218-L220 VanDerWaalsContact O-N 3.07Å |
| 221 | E | 88.1 | Confident | 89.2 | Confident | 24 Ų | 24 | 55.8 Ų | 55.8 | 11% | 0.112 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -107.3 | 20.6 | -172.9 | -62.1 | -64.3 | 167.3 | 0 | 0 | 112.2 | R152 V156 L212 C218 S219 Q223 F224 V225 | R152-E221 HydrophobicContact CB-CG 4.17Å; R152-E221 VanDerWaalsContact CD-OE2 3.3Å; R152-E221 WeakPolarHBondContact CD-OE2 3.37Å; R152-E221 HydrophobicContact CG-CG 4.47Å; R152-E221 IonicContact CZ-OE2 3.16Å; R152-E221 IonicContact NE-OE2 3.05Å; R152-E221 IonicContact NH1-OE2 3.99Å; R152-E221 PolarHBondContact NH1-OE2 3.46Å; V156-E221 HydrophobicContact CG2-CG 3.99Å; L212-E221 HydrophobicContact CD2-CB 4.24Å; C218-E221 PolarHBondContact O-N 3.31Å; S219-E221 PolarHBondContact O-N 2.91Å; E221-Q223 VanDerWaalsContact C-N 3.31Å; E221-Q223 PolarHBondContact O-N 3.31Å; E221-F224 PolarHBondContact O-N 3.39Å; E221-V225 PolarHBondContact O-N 3.39Å; E221-V225 VanDerWaalsContact O-N 3.13Å |
| 222 | Q | 89.6 | Confident | 88.9 | Confident | 91 Ų | 91 | 54.6 Ų | 54.6 | 43% | 0.425 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -55.9 | -43.3 | -177.3 | -179.7 | 176.8 | -4.3 | 0 | 0 | 112.6 | I176 S219 F224 V225 M226 | I176-Q222 HydrophobicContact CD1-CB 4.28Å; I176-Q222 HydrophobicContact CG1-CB 4.2Å; I176-Q222 HydrophobicContact CG1-CG 4.38Å; I176-Q222 HydrophobicContact CG2-CG 3.99Å; S219-Q222 WeakPolarHBondContact O-CB 3.43Å; S219-Q222 PolarHBondContact O-N 2.96Å; Q222-F224 VanDerWaalsContact C-N 3.27Å; Q222-F224 PolarHBondContact O-N 2.89Å; Q222-V225 PolarHBondContact O-N 3.19Å; Q222-M226 HydrophobicContact CG-CG 4.11Å; Q222-M226 WeakPolarHBondContact O-CB 3.48Å; Q222-M226 VanDerWaalsContact O-CG 3.23Å; Q222-M226 WeakPolarHBondContact O-CG 2.96Å; Q222-M226 PolarHBondContact O-N 3.36Å |
| 223 | Q | 91.1 | Very high | 88.6 | Confident | 175 Ų | 175 | 63.3 Ų | 63.3 | 82% | 0.818 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -59.5 | -39.4 | -178 | -67.9 | 178.9 | -10.4 | 0 | 0 | 112.2 | E221 M226 S227 | E221-Q223 VanDerWaalsContact C-N 3.31Å; E221-Q223 PolarHBondContact O-N 3.31Å; Q223-M226 PolarHBondContact O-N 3.18Å; Q223-S227 PolarHBondContact O-N 2.63Å |
| 224 | F | 92.5 | Very high | 88.1 | Confident | 18 Ų | 18 | 65.8 Ų | 65.8 | 8% | 0.079 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -75.6 | -38 | -179.6 | 178.6 | -101.4 | 0 | 0 | 0 | 113 | L149 R152 M209 E221 Q222 M226 S227 H228 | L149-F224 HydrophobicContact CB-CE1 4.32Å; L149-F224 HydrophobicContact CB-CZ 4.32Å; L149-F224 HydrophobicContact CG-CE1 4.17Å; R152-F224 VanDerWaalsContact CZ-CB 3.49Å; M209-F224 HydrophobicContact CE-CD1 4.37Å; M209-F224 HydrophobicContact CE-CE1 4.23Å; M209-F224 HydrophobicContact SD-CD1 4.44Å; M209-F224 HydrophobicContact SD-CE1 3.84Å; E221-F224 PolarHBondContact O-N 3.39Å; Q222-F224 VanDerWaalsContact C-N 3.27Å; Q222-F224 PolarHBondContact O-N 2.89Å; F224-M226 VanDerWaalsContact C-N 3.3Å; F224-M226 PolarHBondContact O-N 3.41Å; F224-S227 WeakPolarHBondContact CA-OG 3.13Å; F224-S227 PolarHBondContact O-N 2.89Å; F224-S227 PolarHBondContact O-OG 3.28Å; F224-H228 AromaticContact CD2-NE2 3.89Å; F224-H228 AromaticContact CE2-CD2 3.84Å; F224-H228 AromaticContact CE2-NE2 3.33Å; F224-H228 VanDerWaalsContact CE2-NE2 3.33Å; F224-H228 WeakPolarHBondContact CE2-NE2 3.35Å; F224-H228 AromaticContact CZ-CD2 3.78Å; F224-H228 AromaticContact CZ-NE2 3.54Å; F224-H228 PolarHBondContact O-CD2 3.43Å; F224-H228 PolarHBondContact O-N 3.07Å |
| 225 | V | 92.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.1 | -45 | 171.8 | 172.7 | 0 | 0 | 0 | 0 | 110.1 | I176 L178 W183 M209 L212 L213 E221 Q222 H228 R229 | I176-V225 HydrophobicContact CD1-CB 4.36Å; I176-V225 HydrophobicContact CD1-CG2 4.1Å; L178-V225 HydrophobicContact CD2-CG1 4.08Å; W183-V225 HydrophobicContact CH2-CG1 4.02Å; W183-V225 HydrophobicContact CZ3-CG1 4.26Å; M209-V225 HydrophobicContact CE-CG2 4.26Å; L212-V225 HydrophobicContact CD2-CG2 3.69Å; L213-V225 HydrophobicContact CD2-CG1 3.99Å; L213-V225 HydrophobicContact CD2-CG2 4.22Å; E221-V225 PolarHBondContact O-N 3.39Å; E221-V225 VanDerWaalsContact O-N 3.13Å; Q222-V225 PolarHBondContact O-N 3.19Å; V225-H228 PolarHBondContact O-N 2.87Å; V225-R229 WeakPolarHBondContact O-CG 3.33Å; V225-R229 PolarHBondContact O-N 3.5Å |
| 226 | M | 91.6 | Very high | 86.9 | Confident | 57 Ų | 57 | 73.7 Ų | 73.7 | 28% | 0.281 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -69.8 | -31.9 | -177.8 | -67.3 | -58.2 | -69.4 | 0 | 0 | 112.8 | Q222 Q223 F224 H228 R229 | Q222-M226 HydrophobicContact CG-CG 4.11Å; Q222-M226 WeakPolarHBondContact O-CB 3.48Å; Q222-M226 VanDerWaalsContact O-CG 3.23Å; Q222-M226 WeakPolarHBondContact O-CG 2.96Å; Q222-M226 PolarHBondContact O-N 3.36Å; Q223-M226 PolarHBondContact O-N 3.18Å; F224-M226 VanDerWaalsContact C-N 3.3Å; F224-M226 PolarHBondContact O-N 3.41Å; M226-H228 PolarHBondContact O-N 2.97Å; M226-R229 PolarHBondContact O-N 3.43Å; M226-R229 VanDerWaalsContact O-N 3.14Å |
| 227 | S | 93 | Very high | 86.3 | Confident | 73 Ų | 73 | 78.5 Ų | 78.5 | 51% | 0.51 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.5 | -23.8 | 174.1 | 61.3 | 0 | 0 | 0 | 0 | 113.3 | Q223 F224 | Q223-S227 PolarHBondContact O-N 2.63Å; F224-S227 WeakPolarHBondContact CA-OG 3.13Å; F224-S227 PolarHBondContact O-N 2.89Å; F224-S227 PolarHBondContact O-OG 3.28Å |
| 228 | H | 93.8 | Very high | 86.1 | Confident | 24 Ų | 24 | 81.9 Ų | 81.9 | 11% | 0.111 | 43% | 0.427 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 13.6 | 177.1 | -64.6 | -55.2 | 0 | 0 | 0 | 113.8 | L184 F205 M209 F224 V225 M226 | L184-H228 HydrophobicContact CD1-CB 4.13Å; L184-H228 WeakPolarHBondContact CG-O 3.47Å; L184-H228 PolarHBondContact N-O 2.91Å; F205-H228 HydrophobicContact CZ-CB 4.3Å; M209-H228 HydrophobicContact CE-CB 4.06Å; F224-H228 AromaticContact CD2-NE2 3.89Å; F224-H228 AromaticContact CE2-CD2 3.84Å; F224-H228 AromaticContact CE2-NE2 3.33Å; F224-H228 VanDerWaalsContact CE2-NE2 3.33Å; F224-H228 WeakPolarHBondContact CE2-NE2 3.35Å; F224-H228 AromaticContact CZ-CD2 3.78Å; F224-H228 AromaticContact CZ-NE2 3.54Å; F224-H228 PolarHBondContact O-CD2 3.43Å; F224-H228 PolarHBondContact O-N 3.07Å; V225-H228 PolarHBondContact O-N 2.87Å; M226-H228 PolarHBondContact O-N 2.97Å |
| 229 | R | 93.3 | Very high | 85.9 | Confident | 37 Ų | 37 | 85 Ų | 85 | 14% | 0.14 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 150.2 | 176.9 | -76.3 | -174.2 | 166.6 | -127.3 | 0.7 | 111.1 | S181 R182 W183 V225 M226 | S181-R229 PolarHBondContact OG-NH1 3.33Å; R182-R229 WeakPolarHBondContact O-CA 3.45Å; W183-R229 HydrophobicContact CD2-CG 4.31Å; W183-R229 VanDerWaalsContact CE2-NH2 3.29Å; W183-R229 HydrophobicContact CE3-CG 3.56Å; W183-R229 HydrophobicContact CZ3-CG 3.67Å; V225-R229 WeakPolarHBondContact O-CG 3.33Å; V225-R229 PolarHBondContact O-N 3.5Å; M226-R229 PolarHBondContact O-N 3.43Å; M226-R229 VanDerWaalsContact O-N 3.14Å |
| 230 | Q | 91.9 | Very high | 85.8 | Confident | 64 Ų | 64 | 88.9 Ų | 88.9 | 30% | 0.299 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 131.9 | 170 | -67.5 | -171.6 | 0 | 0 | 0 | 109.6 | S181 R182 L184 E188 | S181-Q230 CarbonylContact C-O 3.6Å; S181-Q230 VanDerWaalsContact CA-O 3.27Å; S181-Q230 WeakPolarHBondContact CA-O 3.25Å; S181-Q230 WeakPolarHBondContact CB-O 3.4Å; R182-Q230 HydrophobicContact CG-CB 4.39Å; R182-Q230 PolarHBondContact N-O 2.94Å; R182-Q230 PolarHBondContact O-N 3.23Å; L184-Q230 HydrophobicContact CD2-CG 3.73Å; E188-Q230 PolarHBondContact OE1-NE2 3.29Å; E188-Q230 PolarHBondContact OE1-OE1 3.35Å; E188-Q230 PolarHBondContact OE2-NE2 3.22Å |
| 231 | Q | 90.5 | Very high | 85.7 | Confident | 161 Ų | 161 | 87.5 Ų | 87.5 | 75% | 0.752 | 46% | 0.458 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72 | 132.8 | 172.4 | -67.9 | -177.9 | -14.7 | 0 | 0 | 109.2 | ||
| 232 | L | 88.3 | Confident | 85.4 | Confident | 86 Ų | 86 | 87.7 Ų | 87.7 | 45% | 0.45 | 46% | 0.461 | S | S | . | . | trans | -99.4 | 126.2 | 173.3 | -64 | 175.3 | 0 | 0 | 0 | 108.4 | P180 R182 A234 | P180-L232 WeakPolarHBondContact O-CA 3.44Å; P180-L232 WeakPolarHBondContact O-CB 3.27Å; P180-L232 PolarHBondContact O-N 3.38Å; R182-L232 HydrophobicContact CB-CD1 4.06Å; R182-L232 HydrophobicContact CB-CG 4.47Å; R182-L232 HydrophobicContact CG-CD1 4.08Å; R182-L232 HydrophobicContact CG-CD2 3.98Å; R182-L232 HydrophobicContact CG-CG 4.05Å; L232-A234 PolarHBondContact O-N 3.25Å; L232-A234 VanDerWaalsContact O-N 3.12Å | ||
| 233 | E | 84.6 | Confident | 85.3 | Confident | 183 Ų | 183 | 88.1 Ų | 88.1 | 86% | 0.855 | 47% | 0.472 | S | S | * | . | trans | -68.5 | 108.7 | 167.9 | -65.1 | 179.8 | 177.7 | 0 | 0 | 108.3 | Q235 | E233-Q235 PolarHBondContact O-N 3.11Š| ||
| 234 | A | 79.8 | Confident | 85.3 | Confident | 84 Ų | 84 | 83.7 Ų | 83.7 | 69% | 0.694 | 45% | 0.453 | S | S | * | . | trans | -69.6 | 101.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | L232 S236 | L232-A234 PolarHBondContact O-N 3.25Å; L232-A234 VanDerWaalsContact O-N 3.12Å; A234-S236 PolarHBondContact O-N 3.04Å | ||
| 235 | Q | 76.4 | Confident | 85.3 | Confident | 176 Ų | 176 | 87 Ų | 87 | 82% | 0.822 | 47% | 0.469 | S | S | * | . | trans | -64.6 | 111.5 | 169.7 | -66.9 | -175.9 | -2.9 | 0 | 0 | 107.9 | E233 M237 | E233-Q235 PolarHBondContact O-N 3.11Å; Q235-M237 PolarHBondContact O-N 3.29Å | ||
| 236 | S | 76.2 | Confident | 85.2 | Confident | 98 Ų | 98 | 94.2 Ų | 94.2 | 69% | 0.685 | 50% | 0.5 | S | S | * | . | trans | -61.2 | 122.8 | 174.7 | 61.4 | 0 | 0 | 0 | 0 | 108.5 | A234 H238 | A234-S236 PolarHBondContact O-N 3.04Å; S236-H238 PolarHBondContact O-N 3.44Å | ||
| 237 | M | 69.8 | Low | 85.1 | Confident | 137 Ų | 137 | 93.1 Ų | 93.1 | 68% | 0.675 | 50% | 0.495 | S | S | * | . | trans | -73.7 | 19.2 | 173.7 | -61.2 | -177.8 | 70.5 | 0 | 0 | 112.8 | Q235 R349 | Q235-M237 PolarHBondContact O-N 3.29Å; M237-R349 PolarHBondContact O-NH1 3.01Å | ||
| 238 | H | 74.9 | Confident | 84.9 | Confident | 85 Ų | 85 | 98.3 Ų | 98.3 | 39% | 0.394 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -72.9 | 126.3 | 177.3 | -169.9 | -83.8 | 0 | 0 | 0 | 108.5 | S236 Q342 | S236-H238 PolarHBondContact O-N 3.44Å; H238-Q342 PolarHBondContact CD2-NE2 2.96Å |
| 239 | Q | 76.3 | Confident | 84.5 | Confident | 68 Ų | 68 | 101.4 Ų | 101.4 | 32% | 0.318 | 55% | 0.547 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 136.3 | 177.7 | -163.1 | 73.1 | 30.1 | 0 | 0 | 108.9 | V241 L337 L354 | Q239-V241 PolarHBondContact O-N 3.38Å; Q239-V241 VanDerWaalsContact O-N 3.13Å; Q239-L337 HydrophobicContact CB-CD1 4.01Å; Q239-L337 HydrophobicContact CG-CD1 3.57Å; Q239-L354 HydrophobicContact CB-CD1 4.34Å; Q239-L354 HydrophobicContact CG-CD1 4.25Å |
| 240 | V | 81.4 | Confident | 84.3 | Confident | 130 Ų | 130 | 101.9 Ų | 101.9 | 79% | 0.788 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 116.5 | 172.2 | -178.3 | 0 | 0 | 0 | 0 | 108.2 | ||
| 241 | V | 84.6 | Confident | 84.3 | Confident | 66 Ų | 66 | 101.2 Ų | 101.2 | 40% | 0.4 | 56% | 0.564 | S | S | . | * | P | Polyproline II helix | trans | -80.5 | 126.5 | 177.9 | 179.4 | 0 | 0 | 0 | 0 | 108.2 | Q239 | Q239-V241 PolarHBondContact O-N 3.38Å; Q239-V241 VanDerWaalsContact O-N 3.13Å |
| 242 | P | 81.8 | Confident | 84.4 | Confident | 29 Ų | 29 | 96.2 Ų | 96.2 | 19% | 0.188 | 54% | 0.542 | C | S | . | . | P | Polyproline II helix | trans | -64 | 140 | 175.3 | 3.4 | 2.7 | 0 | 0 | 0 | 110.2 | S338 | P242-S338 WeakPolarHBondContact CD-OG 3.22Å; P242-S338 VanDerWaalsContact CG-OG 3.26Å; P242-S338 WeakPolarHBondContact CG-OG 3.35Å; P242-S338 WeakPolarHBondContact O-CB 3.35Å; P242-S338 PolarHBondContact O-OG 3.15Å |
| 243 | P | 86.8 | Confident | 84.8 | Confident | 100 Ų | 100 | 93.2 Ų | 93.2 | 65% | 0.649 | 53% | 0.526 | S | S | * | . | P | Polyproline II helix | trans | -65.1 | 139.4 | 173.6 | 28 | -33.6 | 0 | 0 | 0 | 110.3 | ||
| 244 | L | 90.7 | Very high | 85.3 | Confident | 82 Ų | 82 | 84.5 Ų | 84.5 | 43% | 0.429 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 132.7 | 171.5 | -71.6 | 171.8 | 0 | 0 | 0 | 109.7 | S338 F339 | L244-S338 VanDerWaalsContact CD2-CB 3.49Å; L244-F339 HydrophobicContact CD2-CD1 3.81Å; L244-F339 HydrophobicContact CD2-CE1 3.35Å; L244-F339 HydrophobicContact CD2-CE2 4.37Å; L244-F339 HydrophobicContact CD2-CG 4.49Å; L244-F339 HydrophobicContact CD2-CZ 3.68Å |
| 245 | Q | 92.3 | Very high | 86 | Confident | 88 Ų | 88 | 83.3 Ų | 83.3 | 41% | 0.411 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 157.6 | 175.1 | -63.2 | 178.4 | 23.6 | 0 | 0 | 109 | D252 F253 | Q245-D252 CarbonylContact O-C 3.58Å; Q245-D252 WeakPolarHBondContact O-CA 3.27Å; Q245-F253 HydrophobicContact CB-CD1 4.09Å; Q245-F253 HydrophobicContact CB-CD2 4.3Å; Q245-F253 HydrophobicContact CB-CE1 3.59Å; Q245-F253 HydrophobicContact CB-CE2 3.82Å; Q245-F253 HydrophobicContact CB-CG 4.44Å; Q245-F253 HydrophobicContact CB-CZ 3.44Å; Q245-F253 VanDerWaalsContact CB-CZ 3.44Å; Q245-F253 HydrophobicContact CG-CZ 4.38Å; Q245-F253 PolarHBondContact N-O 3.07Å; Q245-F253 WeakPolarHBondContact O-CD1 3.48Å; Q245-F253 PolarHBondContact O-N 3.48Å |
| 246 | K | 91.7 | Very high | 87 | Confident | 151 Ų | 151 | 75.7 Ų | 75.7 | 66% | 0.657 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 132.3 | 177.2 | -75.2 | -176 | 175.7 | -171.7 | 0 | 110.3 | V251 D252 | K246-V251 WeakPolarHBondContact CA-O 3.37Å; K246-D252 WeakPolarHBondContact CE-OD1 3.34Å; K246-D252 WeakPolarHBondContact CG-OD1 3.42Å |
| 247 | D | 89.3 | Confident | 87.9 | Confident | 33 Ų | 33 | 78 Ų | 78 | 18% | 0.176 | 44% | 0.436 | C | S | . | . | trans | -73.9 | 170.6 | 173.3 | -70.5 | -60.7 | 0 | 0 | 0 | 111.8 | A249 G250 V251 F253 R270 | D247-A249 PolarHBondContact O-N 3.45Å; D247-A249 VanDerWaalsContact O-N 3.15Å; D247-G250 WeakPolarHBondContact O-CA 3.34Å; D247-G250 PolarHBondContact O-N 3.2Å; D247-V251 PolarHBondContact N-O 3.37Å; D247-F253 HydrophobicContact CB-CD1 4.23Å; D247-F253 HydrophobicContact CB-CE1 4.35Å; D247-F253 WeakPolarHBondContact OD1-CD1 3.48Å; D247-F253 WeakPolarHBondContact OD1-CE1 3.44Å; D247-F253 WeakPolarHBondContact OD2-CD1 3.46Å; D247-R270 IonicContact OD1-CZ 2.85Å; D247-R270 IonicContact OD1-NH1 3.85Å; D247-R270 PolarHBondContact OD1-NH1 3.37Å; D247-R270 IonicContact OD1-NH2 3.3Å; D247-R270 IonicContact OD2-CZ 3.53Å; D247-R270 IonicContact OD2-NH1 2.65Å; D247-R270 PolarHBondContact OD2-NH1 3.27Å | ||
| 248 | D | 89.4 | Confident | 89.2 | Confident | 183 Ų | 183 | 71.7 Ų | 71.7 | 98% | 0.979 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -27.9 | 172.4 | -60.2 | -33.8 | 0 | 0 | 0 | 112.8 | G250 | D248-G250 VanDerWaalsContact C-N 3.26Å; D248-G250 PolarHBondContact O-N 3.26Å |
| 249 | A | 85.8 | Confident | 90.2 | Very high | 88 Ų | 88 | 74.7 Ų | 74.7 | 73% | 0.727 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -0.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | D247 V251 | D247-A249 PolarHBondContact O-N 3.45Å; D247-A249 VanDerWaalsContact O-N 3.15Å; A249-V251 VanDerWaalsContact C-N 3.31Å; A249-V251 HydrophobicContact CB-CG2 4.33Å; A249-V251 PolarHBondContact O-N 2.9Å |
| 250 | G | 88.6 | Confident | 91.2 | Very high | 48 Ų | 48 | 73.9 Ų | 73.9 | 50% | 0.495 | 41% | 0.408 | S | S | . | . | trans | 76.8 | 10.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | D247 D248 | D247-G250 WeakPolarHBondContact O-CA 3.34Å; D247-G250 PolarHBondContact O-N 3.2Å; D248-G250 VanDerWaalsContact C-N 3.26Å; D248-G250 PolarHBondContact O-N 3.26Å | ||
| 251 | V | 91.1 | Very high | 91.9 | Very high | 49 Ų | 49 | 72.6 Ų | 72.6 | 30% | 0.297 | 39% | 0.392 | S | S | . | . | trans | -81.9 | 134.3 | 179 | -179.8 | 0 | 0 | 0 | 0 | 110 | K246 D247 A249 R270 D271 | K246-V251 WeakPolarHBondContact CA-O 3.37Å; D247-V251 PolarHBondContact N-O 3.37Å; A249-V251 VanDerWaalsContact C-N 3.31Å; A249-V251 HydrophobicContact CB-CG2 4.33Å; A249-V251 PolarHBondContact O-N 2.9Å; V251-R270 HydrophobicContact CG1-CB 4.31Å; V251-D271 VanDerWaalsContact CG1-O 3.31Å; V251-D271 WeakPolarHBondContact CG1-O 3.42Å | ||
| 252 | D | 93.9 | Very high | 92.4 | Very high | 56 Ų | 56 | 73.4 Ų | 73.4 | 30% | 0.299 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 128.3 | 174.9 | -68.4 | -34.5 | 0 | 0 | 0 | 110.1 | Q245 K246 D271 F339 | Q245-D252 CarbonylContact O-C 3.58Å; Q245-D252 WeakPolarHBondContact O-CA 3.27Å; K246-D252 WeakPolarHBondContact CE-OD1 3.34Å; K246-D252 WeakPolarHBondContact CG-OD1 3.42Å; D252-D271 PolarHBondContact O-N 3.48Å; D252-F339 HydrophobicContact CB-CE1 4.36Å |
| 253 | F | 94.8 | Very high | 93.2 | Very high | 24 Ų | 24 | 72 Ų | 72 | 11% | 0.105 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 153.5 | 175.1 | 75.5 | -87.7 | 0 | 0 | 0 | 112.1 | Q245 D247 T255 V268 V269 R270 | Q245-F253 HydrophobicContact CB-CD1 4.09Å; Q245-F253 HydrophobicContact CB-CD2 4.3Å; Q245-F253 HydrophobicContact CB-CE1 3.59Å; Q245-F253 HydrophobicContact CB-CE2 3.82Å; Q245-F253 HydrophobicContact CB-CG 4.44Å; Q245-F253 HydrophobicContact CB-CZ 3.44Å; Q245-F253 VanDerWaalsContact CB-CZ 3.44Å; Q245-F253 HydrophobicContact CG-CZ 4.38Å; Q245-F253 PolarHBondContact N-O 3.07Å; Q245-F253 WeakPolarHBondContact O-CD1 3.48Å; Q245-F253 PolarHBondContact O-N 3.48Å; D247-F253 HydrophobicContact CB-CD1 4.23Å; D247-F253 HydrophobicContact CB-CE1 4.35Å; D247-F253 WeakPolarHBondContact OD1-CD1 3.48Å; D247-F253 WeakPolarHBondContact OD1-CE1 3.44Å; D247-F253 WeakPolarHBondContact OD2-CD1 3.46Å; F253-T255 HydrophobicContact CD2-CG2 3.82Å; F253-T255 HydrophobicContact CE2-CG2 3.72Å; F253-V268 HydrophobicContact CB-CG1 4.25Å; F253-V268 HydrophobicContact CD2-CG1 3.76Å; F253-V268 HydrophobicContact CE2-CG1 4.5Å; F253-V268 HydrophobicContact CG-CG1 4.27Å; F253-V269 CarbonylContact C-O 3.59Å; F253-V269 WeakPolarHBondContact CA-O 3.45Å; F253-V269 WeakPolarHBondContact CB-O 3.27Å; F253-R270 HydrophobicContact CB-CG 3.98Å |
| 254 | S | 95.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 145.2 | 172.5 | 63.8 | 0 | 0 | 0 | 0 | 110.5 | V269 A335 F339 | S254-V269 PolarHBondContact N-O 2.94Å; S254-V269 PolarHBondContact O-N 3.32Å; S254-A335 WeakPolarHBondContact OG-CB 3.15Å; S254-A335 PolarHBondContact OG-O 2.98Å; S254-F339 WeakPolarHBondContact OG-CE2 3.48Å |
| 255 | T | 95.3 | Very high | 93.9 | Very high | 59 Ų | 59 | 71.4 Ų | 71.4 | 36% | 0.362 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 137.2 | 178.4 | 58.5 | 0 | 0 | 0 | 0 | 110.1 | F253 V267 V268 | F253-T255 HydrophobicContact CD2-CG2 3.82Å; F253-T255 HydrophobicContact CE2-CG2 3.72Å; T255-V267 WeakPolarHBondContact CA-O 3.42Å; T255-V268 HydrophobicContact CG2-CB 4.47Å; T255-V268 HydrophobicContact CG2-CG1 4.26Å; T255-V268 HydrophobicContact CG2-CG2 4.03Å |
| 256 | A | 96.1 | Very high | 94.2 | Very high | 15 Ų | 15 | 69.7 Ų | 69.7 | 12% | 0.124 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 158.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S266 V267 A331 R334 A335 | A256-S266 WeakPolarHBondContact O-CA 3.49Å; A256-V267 PolarHBondContact N-O 2.8Å; A256-V267 VanDerWaalsContact N-O 3.13Å; A256-V267 PolarHBondContact O-N 3.14Å; A256-A331 WeakPolarHBondContact CB-O 3.49Å; A256-R334 HydrophobicContact CB-CB 3.62Å; A256-A335 HydrophobicContact CB-CB 3.78Å |
| 257 | E | 96.2 | Very high | 94.4 | Very high | 147 Ų | 147 | 62.5 Ų | 62.5 | 69% | 0.687 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 147.3 | 178.2 | -62.2 | -172.8 | 171.7 | 0 | 0 | 112 | G265 R334 | E257-G265 CarbonylContact C-O 3.5Å; E257-G265 WeakPolarHBondContact CA-O 3.32Å; E257-R334 WeakPolarHBondContact O-CD 3.22Å; E257-R334 PolarHBondContact O-NH1 3.21Å |
| 258 | G | 96.2 | Very high | 94.7 | Very high | 5 Ų | 5 | 62.7 Ų | 62.7 | 5% | 0.052 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 147.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | G265 A327 | G258-G265 PolarHBondContact N-O 2.96Å; G258-G265 PolarHBondContact O-N 3.43Å; G258-A327 WeakPolarHBondContact CA-O 3.46Å |
| 259 | R | 96.4 | Very high | 95 | Very high | 147 Ų | 147 | 54 Ų | 54 | 56% | 0.555 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 136.5 | 177.5 | -175 | -179.6 | 175.1 | -175.9 | -1.8 | 110.2 | S263 R264 | R259-S263 WeakPolarHBondContact CA-O 3.26Å; R259-S263 WeakPolarHBondContact CG-O 3.31Å; R259-R264 HydrophobicContact CG-CG 4.39Å |
| 260 | R | 97.2 | Very high | 95.5 | Very high | 52 Ų | 52 | 54.2 Ų | 54.2 | 20% | 0.196 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 125.1 | 170.3 | -175.3 | 176.7 | -173.7 | -164.7 | 11.3 | 110 | S262 S263 S322 A327 D357 | R260-S262 PolarHBondContact O-N 3.2Å; R260-S262 VanDerWaalsContact O-N 3.15Å; R260-S263 PolarHBondContact N-O 2.92Å; R260-S263 PolarHBondContact O-N 3.39Å; R260-S322 PolarHBondContact NH1-O 3.43Å; R260-A327 HydrophobicContact CB-CB 4.09Å; R260-D357 IonicContact NE-OD2 3.26Å |
| 261 | K | 96.1 | Very high | 95.6 | Very high | 102 Ų | 102 | 53.1 Ų | 53.1 | 44% | 0.443 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | -117.4 | -172.6 | -59.3 | 178.3 | -179.2 | 173.9 | 0 | 110.4 | ||
| 262 | S | 96.1 | Very high | 95.4 | Very high | 84 Ų | 84 | 56.4 Ų | 56.4 | 59% | 0.587 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | -2.1 | 176.6 | 48.4 | 0 | 0 | 0 | 0 | 114.1 | R260 G319 | R260-S262 PolarHBondContact O-N 3.2Å; R260-S262 VanDerWaalsContact O-N 3.15Å; S262-G319 VanDerWaalsContact OG-CA 3.23Å; S262-G319 WeakPolarHBondContact OG-CA 3.38Å |
| 263 | S | 97.4 | Very high | 95 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 136.8 | 177.4 | -60.2 | 0 | 0 | 0 | 0 | 111.3 | R259 R260 S317 G318 G319 S323 Q324 | R259-S263 WeakPolarHBondContact CA-O 3.26Å; R259-S263 WeakPolarHBondContact CG-O 3.31Å; R260-S263 PolarHBondContact N-O 2.92Å; R260-S263 PolarHBondContact O-N 3.39Å; S263-S317 WeakPolarHBondContact CA-O 3.36Å; S263-G318 PolarHBondContact OG-O 2.95Å; S263-G319 WeakPolarHBondContact OG-CA 3.24Å; S263-S323 WeakPolarHBondContact OG-CB 3.13Å; S263-S323 PolarHBondContact OG-OG 2.9Å; S263-Q324 WeakPolarHBondContact OG-CG 3.41Å; S263-Q324 PolarHBondContact OG-N 2.82Å |
| 264 | R | 97.3 | Very high | 94.8 | Very high | 163 Ų | 163 | 58 Ų | 58 | 62% | 0.615 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 134.3 | 170.5 | -65.5 | 179.7 | -179.8 | 178.7 | -1 | 108.3 | R259 V316 S317 | R259-R264 HydrophobicContact CG-CG 4.39Å; R264-V316 WeakPolarHBondContact O-CG2 3.27Å; R264-S317 PolarHBondContact N-O 2.74Å; R264-S317 PolarHBondContact O-N 2.66Å |
| 265 | G | 96.1 | Very high | 94.6 | Very high | 6 Ų | 6 | 59.6 Ų | 59.6 | 6% | 0.062 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 141.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | E257 G258 S315 | E257-G265 CarbonylContact C-O 3.5Å; E257-G265 WeakPolarHBondContact CA-O 3.32Å; G258-G265 PolarHBondContact N-O 2.96Å; G258-G265 PolarHBondContact O-N 3.43Å; G265-S315 CarbonylContact C-O 3.55Å; G265-S315 WeakPolarHBondContact CA-O 3.39Å |
| 266 | S | 97 | Very high | 94.5 | Very high | 51 Ų | 51 | 65 Ų | 65 | 36% | 0.357 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 147.9 | 168.9 | 55.4 | 0 | 0 | 0 | 0 | 109 | A256 C314 S315 | A256-S266 WeakPolarHBondContact O-CA 3.49Å; S266-C314 WeakPolarHBondContact O-CA 3.35Å; S266-S315 PolarHBondContact N-O 2.91Å; S266-S315 PolarHBondContact O-N 2.92Å |
| 267 | V | 96.8 | Very high | 94.5 | Very high | 1 Ų | 1 | 64.9 Ų | 64.9 | 1% | 0.006 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 136.3 | 178.9 | 179.4 | 0 | 0 | 0 | 0 | 109.3 | T255 A256 V269 L312 D313 C314 L328 A331 I332 | T255-V267 WeakPolarHBondContact CA-O 3.42Å; A256-V267 PolarHBondContact N-O 2.8Å; A256-V267 VanDerWaalsContact N-O 3.13Å; A256-V267 PolarHBondContact O-N 3.14Å; V267-V269 HydrophobicContact CG1-CG2 3.79Å; V267-L312 HydrophobicContact CG1-CD2 4.18Å; V267-D313 WeakPolarHBondContact CA-O 3.11Å; V267-C314 HydrophobicContact CG2-CB 4.06Å; V267-C314 VanDerWaalsContact CG2-SG 3.57Å; V267-L328 HydrophobicContact CG2-CD2 3.7Å; V267-A331 HydrophobicContact CB-CB 4.13Å; V267-A331 HydrophobicContact CG2-CB 3.63Å; V267-I332 HydrophobicContact CB-CG1 4.48Å; V267-I332 HydrophobicContact CG1-CG1 4.07Å; V267-I332 HydrophobicContact CG2-CG1 4.04Å |
| 268 | V | 95.9 | Very high | 94.5 | Very high | 36 Ų | 36 | 58.9 Ų | 58.9 | 22% | 0.218 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 118.3 | 166.3 | -172.6 | 0 | 0 | 0 | 0 | 107.2 | F253 T255 R270 D313 | F253-V268 HydrophobicContact CB-CG1 4.25Å; F253-V268 HydrophobicContact CD2-CG1 3.76Å; F253-V268 HydrophobicContact CE2-CG1 4.5Å; F253-V268 HydrophobicContact CG-CG1 4.27Å; T255-V268 HydrophobicContact CG2-CB 4.47Å; T255-V268 HydrophobicContact CG2-CG1 4.26Å; T255-V268 HydrophobicContact CG2-CG2 4.03Å; V268-R270 HydrophobicContact CG1-CG 4.28Å; V268-D313 HydrophobicContact CB-CB 4.46Å; V268-D313 PolarHBondContact N-O 3.27Å; V268-D313 PolarHBondContact O-N 3.05Å |
| 269 | V | 95.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 115.9 | 177.3 | -176.4 | 0 | 0 | 0 | 0 | 107.7 | F253 S254 V267 F310 L312 A335 L336 F339 | F253-V269 CarbonylContact C-O 3.59Å; F253-V269 WeakPolarHBondContact CA-O 3.45Å; F253-V269 WeakPolarHBondContact CB-O 3.27Å; S254-V269 PolarHBondContact N-O 2.94Å; S254-V269 PolarHBondContact O-N 3.32Å; V267-V269 HydrophobicContact CG1-CG2 3.79Å; V269-F310 HydrophobicContact CG1-CB 3.77Å; V269-F310 HydrophobicContact CG1-CD1 3.72Å; V269-F310 HydrophobicContact CG1-CD2 4.48Å; V269-F310 HydrophobicContact CG1-CE1 4.45Å; V269-F310 HydrophobicContact CG1-CG 3.75Å; V269-L312 HydrophobicContact CB-CD2 4Å; V269-L312 HydrophobicContact CG1-CD2 3.78Å; V269-L312 HydrophobicContact CG2-CD2 3.48Å; V269-L312 VanDerWaalsContact CG2-CD2 3.48Å; V269-A335 HydrophobicContact CB-CB 4.15Å; V269-A335 HydrophobicContact CG2-CB 3.32Å; V269-L336 HydrophobicContact CG1-CD2 4.34Å; V269-F339 HydrophobicContact CB-CE2 4.08Å; V269-F339 HydrophobicContact CG1-CD2 4.35Å; V269-F339 HydrophobicContact CG1-CE2 3.73Å |
| 270 | R | 94.9 | Very high | 94.5 | Very high | 94 Ų | 94 | 55.1 Ų | 55.1 | 36% | 0.355 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 133.7 | 177.5 | -59 | 179.3 | -169.9 | -103.4 | -1.6 | 109.5 | D247 V251 F253 V268 F310 D311 | D247-R270 IonicContact OD1-CZ 2.85Å; D247-R270 IonicContact OD1-NH1 3.85Å; D247-R270 PolarHBondContact OD1-NH1 3.37Å; D247-R270 IonicContact OD1-NH2 3.3Å; D247-R270 IonicContact OD2-CZ 3.53Å; D247-R270 IonicContact OD2-NH1 2.65Å; D247-R270 PolarHBondContact OD2-NH1 3.27Å; V251-R270 HydrophobicContact CG1-CB 4.31Å; F253-R270 HydrophobicContact CB-CG 3.98Å; V268-R270 HydrophobicContact CG1-CG 4.28Å; R270-F310 WeakPolarHBondContact O-CA 3.34Å; R270-D311 PolarHBondContact N-O 2.88Å; R270-D311 PolarHBondContact O-N 3.22Å; R270-D311 VanDerWaalsContact O-N 3.12Å |
| 271 | D | 90.9 | Very high | 94.3 | Very high | 25 Ų | 25 | 56 Ų | 56 | 13% | 0.134 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -73.1 | 164.8 | 173.9 | -154.6 | 3.4 | 0 | 0 | 0 | 111.4 | V251 D252 G273 R309 F310 F339 | V251-D271 VanDerWaalsContact CG1-O 3.31Å; V251-D271 WeakPolarHBondContact CG1-O 3.42Å; D252-D271 PolarHBondContact O-N 3.48Å; D271-G273 VanDerWaalsContact C-N 3.31Å; D271-G273 PolarHBondContact O-N 2.81Å; D271-R309 IonicContact OD1-CZ 2.85Å; D271-R309 IonicContact OD1-NE 2.78Å; D271-R309 PolarHBondContact OD1-NE 3.43Å; D271-R309 IonicContact OD1-NH2 3.62Å; D271-R309 PolarHBondContact OD1-NH2 2.74Å; D271-R309 IonicContact OD2-CZ 3.57Å; D271-R309 IonicContact OD2-NE 3.59Å; D271-R309 IonicContact OD2-NH2 2.66Å; D271-R309 PolarHBondContact OD2-NH2 2.86Å; D271-F310 HydrophobicContact CB-CD1 4.43Å; D271-F310 HydrophobicContact CB-CE1 4.26Å; D271-F310 WeakPolarHBondContact OD1-CE1 3.42Å; D271-F339 HydrophobicContact CB-CE1 3.95Å; D271-F339 HydrophobicContact CB-CZ 4.41Å |
| 272 | C | 87.9 | Confident | 94.2 | Very high | 117 Ų | 117 | 56.4 Ų | 56.4 | 79% | 0.791 | 33% | 0.33 | S | S | * | . | S | Bend | trans | 56.9 | 39 | 179.8 | -60 | 0 | 0 | 0 | 0 | 114.3 | ||
| 273 | G | 85.6 | Confident | 94.2 | Very high | 22 Ų | 22 | 55 Ų | 55 | 23% | 0.227 | 32% | 0.316 | C | S | . | . | trans | -89.2 | 178.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | D271 R309 D311 | D271-G273 VanDerWaalsContact C-N 3.31Å; D271-G273 PolarHBondContact O-N 2.81Å; G273-R309 WeakPolarHBondContact CA-O 3.47Å; G273-R309 PolarHBondContact N-O 3.35Å; G273-D311 WeakPolarHBondContact CA-OD1 3.41Å; G273-D311 WeakPolarHBondContact CA-OD2 3.16Å | ||
| 274 | A | 90.6 | Very high | 94 | Very high | 92 Ų | 92 | 56.9 Ų | 56.9 | 76% | 0.76 | 33% | 0.325 | S | S | * | . | trans | -99.9 | 7.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | G308 D311 | A274-G308 CarbonylContact C-O 3.55Å; A274-D311 PolarHBondContact N-OD1 3.47Å; A274-D311 PolarHBondContact N-OD2 2.95Å | ||
| 275 | G | 90.7 | Very high | 93.8 | Very high | 34 Ų | 34 | 52.8 Ų | 52.8 | 35% | 0.351 | 32% | 0.315 | S | S | . | . | trans | 84.6 | 21.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L277 G308 F310 D311 | G275-L277 PolarHBondContact O-N 3.15Å; G275-G308 PolarHBondContact N-O 3.02Å; G275-F310 VanDerWaalsContact CA-O 3.27Å; G275-F310 WeakPolarHBondContact CA-O 3.41Å; G275-D311 PolarHBondContact N-OD1 3.34Å | ||
| 276 | R | 93.9 | Very high | 93.8 | Very high | 173 Ų | 173 | 59.4 Ų | 59.4 | 65% | 0.653 | 34% | 0.344 | S | S | * | . | trans | -75.2 | 122.3 | -178.7 | -172.6 | 178.3 | -179.1 | -176.5 | -0.6 | 109.9 | T278 D311 L312 | R276-T278 HydrophobicContact CG-CG2 4.3Å; R276-D311 WeakPolarHBondContact CB-OD1 3.4Å; R276-D311 PolarHBondContact N-OD1 3.09Å; R276-D311 WeakPolarHBondContact O-CA 3.48Å; R276-L312 PolarHBondContact O-N 3Å | ||
| 277 | L | 95.1 | Very high | 93.7 | Very high | 11 Ų | 11 | 59.6 Ų | 59.6 | 6% | 0.058 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 107.3 | 176.3 | -158.3 | 165.4 | 0 | 0 | 0 | 109.8 | G275 V279 H284 L297 L312 | G275-L277 PolarHBondContact O-N 3.15Å; L277-V279 HydrophobicContact CD2-CG2 3.54Å; L277-H284 HydrophobicContact CB-CB 4.09Å; L277-H284 HydrophobicContact CD2-CB 3.48Å; L277-H284 VanDerWaalsContact CD2-CB 3.48Å; L277-H284 HydrophobicContact CG-CB 4.19Å; L277-H284 WeakPolarHBondContact O-CB 3.2Å; L277-H284 PolarHBondContact O-N 3.11Å; L277-H284 VanDerWaalsContact O-N 3.14Å; L277-H284 PolarHBondContact O-ND1 2.89Å; L277-L297 HydrophobicContact CD1-CB 4.14Å; L277-L297 HydrophobicContact CD1-CD1 4.26Å; L277-L297 HydrophobicContact CD2-CD1 4.26Å; L277-L312 WeakPolarHBondContact CA-O 3.42Å; L277-L312 HydrophobicContact CB-CB 4.43Å; L277-L312 HydrophobicContact CD1-CD1 3.72Å; L277-L312 HydrophobicContact CG-CB 3.93Å; L277-L312 HydrophobicContact CG-CD1 3.89Å; L277-L312 HydrophobicContact CG-CG 4.5Å |
| 278 | T | 96.3 | Very high | 93.7 | Very high | 22 Ų | 22 | 59.5 Ų | 59.5 | 14% | 0.135 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 137.2 | 173.7 | 48.9 | 0 | 0 | 0 | 0 | 110.8 | R276 Q282 L312 D313 C314 | R276-T278 HydrophobicContact CG-CG2 4.3Å; T278-Q282 CarbonylContact C-O 3.51Å; T278-Q282 WeakPolarHBondContact CA-O 3.32Å; T278-L312 PolarHBondContact N-O 3.42Å; T278-L312 PolarHBondContact OG1-O 3.03Å; T278-D313 PolarHBondContact OG1-OD1 3Å; T278-C314 WeakPolarHBondContact O-CA 3.38Å; T278-C314 VanDerWaalsContact O-CB 3.22Å; T278-C314 WeakPolarHBondContact O-CB 3.41Å; T278-C314 PolarHBondContact O-N 3.1Å |
| 279 | V | 96.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 115.4 | 175.6 | -173.6 | 0 | 0 | 0 | 0 | 108.6 | L277 G281 Q282 H284 Y287 F288 C314 V316 L328 | L277-V279 HydrophobicContact CD2-CG2 3.54Å; V279-G281 PolarHBondContact O-N 3.43Å; V279-Q282 PolarHBondContact N-O 3.4Å; V279-Q282 PolarHBondContact O-N 2.84Å; V279-H284 HydrophobicContact CG2-CB 4.18Å; V279-Y287 HydrophobicContact CB-CD1 4.11Å; V279-Y287 HydrophobicContact CB-CD2 4.38Å; V279-Y287 HydrophobicContact CB-CG 3.94Å; V279-Y287 HydrophobicContact CG1-CD1 3.59Å; V279-Y287 HydrophobicContact CG1-CD2 4.12Å; V279-Y287 HydrophobicContact CG1-CE1 3.71Å; V279-Y287 HydrophobicContact CG1-CE2 4.23Å; V279-Y287 HydrophobicContact CG1-CG 3.8Å; V279-F288 HydrophobicContact CG1-CE2 4.29Å; V279-F288 HydrophobicContact CG2-CD2 4.49Å; V279-F288 HydrophobicContact CG2-CE2 4.11Å; V279-C314 CarbonylContact C-O 3.51Å; V279-C314 WeakPolarHBondContact CA-O 3.4Å; V279-C314 HydrophobicContact CG2-CB 4.15Å; V279-V316 HydrophobicContact CG1-CG1 3.76Å; V279-L328 HydrophobicContact CG1-CD1 4.03Å; V279-L328 HydrophobicContact CG2-CD1 4.25Å |
| 280 | N | 95.6 | Very high | 93.8 | Very high | 73 Ų | 73 | 64.2 Ų | 64.2 | 39% | 0.39 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 40.5 | -176.7 | -64.4 | -24.6 | 0 | 0 | 0 | 113 | Q282 Y287 C314 S315 V316 | N280-Q282 PolarHBondContact O-N 2.89Å; N280-Y287 HydrophobicContact CB-CE2 4.38Å; N280-Y287 PolarHBondContact ND2-OH 3.39Å; N280-C314 PolarHBondContact N-O 3.44Å; N280-S315 WeakPolarHBondContact OD1-CA 3.39Å; N280-V316 PolarHBondContact ND2-O 3.29Å; N280-V316 PolarHBondContact OD1-N 3Å; N280-V316 PolarHBondContact OD1-O 2.88Å |
| 281 | G | 93.3 | Very high | 93.8 | Very high | 69 Ų | 69 | 65 Ų | 65 | 71% | 0.711 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76 | 0.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | V279 | V279-G281 PolarHBondContact O-N 3.43Š|
| 282 | Q | 94.9 | Very high | 94.1 | Very high | 111 Ų | 111 | 69.4 Ų | 69.4 | 52% | 0.519 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 155.8 | 174.1 | -64 | -177.9 | -8.7 | 0 | 0 | 110.8 | T278 V279 N280 | T278-Q282 CarbonylContact C-O 3.51Å; T278-Q282 WeakPolarHBondContact CA-O 3.32Å; V279-Q282 PolarHBondContact N-O 3.4Å; V279-Q282 PolarHBondContact O-N 2.84Å; N280-Q282 PolarHBondContact O-N 2.89Å |
| 283 | D | 95.3 | Very high | 94.5 | Very high | 55 Ų | 55 | 64 Ų | 64 | 29% | 0.294 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 140.4 | 174 | -179.3 | 36.4 | 0 | 0 | 0 | 111.1 | L285 H286 Y287 | D283-L285 PolarHBondContact O-N 3.42Å; D283-L285 VanDerWaalsContact O-N 3.16Å; D283-H286 PolarHBondContact O-N 3.47Å; D283-H286 IonicContact OD2-ND1 2.61Å; D283-Y287 PolarHBondContact O-N 3.23Å |
| 284 | H | 93.4 | Very high | 95 | Very high | 40 Ų | 40 | 65.7 Ų | 65.7 | 19% | 0.185 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -57.4 | -30.7 | -175.6 | 70 | -65.9 | 0 | 0 | 0 | 114.1 | L277 V279 H286 F288 | L277-H284 HydrophobicContact CB-CB 4.09Å; L277-H284 HydrophobicContact CD2-CB 3.48Å; L277-H284 VanDerWaalsContact CD2-CB 3.48Å; L277-H284 HydrophobicContact CG-CB 4.19Å; L277-H284 WeakPolarHBondContact O-CB 3.2Å; L277-H284 PolarHBondContact O-N 3.11Å; L277-H284 VanDerWaalsContact O-N 3.14Å; L277-H284 PolarHBondContact O-ND1 2.89Å; V279-H284 HydrophobicContact CG2-CB 4.18Å; H284-H286 VanDerWaalsContact C-N 3.31Å; H284-H286 PolarHBondContact O-N 3.31Å; H284-F288 PolarHBondContact O-N 3.44Å |
| 285 | L | 94.5 | Very high | 95.3 | Very high | 77 Ų | 77 | 66.2 Ų | 66.2 | 40% | 0.403 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.5 | -39.4 | 175.1 | -68.3 | 177.6 | 0 | 0 | 0 | 112.1 | D283 R294 | D283-L285 PolarHBondContact O-N 3.42Å; D283-L285 VanDerWaalsContact O-N 3.16Å; L285-R294 PolarHBondContact O-NH2 3.41Å |
| 286 | H | 95.1 | Very high | 95.6 | Very high | 145 Ų | 145 | 66.9 Ų | 66.9 | 67% | 0.671 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -78.8 | -41.6 | 179.7 | -64 | 88.9 | 0 | 0 | 0 | 111.2 | D283 H284 | D283-H286 PolarHBondContact O-N 3.47Å; D283-H286 IonicContact OD2-ND1 2.61Å; H284-H286 VanDerWaalsContact C-N 3.31Å; H284-H286 PolarHBondContact O-N 3.31Å |
| 287 | Y | 95.8 | Very high | 95.6 | Very high | 54 Ų | 54 | 58.7 Ų | 58.7 | 21% | 0.212 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -68.3 | -42.2 | -179.3 | -166.6 | -87.5 | 0 | 0 | 0 | 112.5 | V279 N280 D283 P289 V316 Q324 | V279-Y287 HydrophobicContact CB-CD1 4.11Å; V279-Y287 HydrophobicContact CB-CD2 4.38Å; V279-Y287 HydrophobicContact CB-CG 3.94Å; V279-Y287 HydrophobicContact CG1-CD1 3.59Å; V279-Y287 HydrophobicContact CG1-CD2 4.12Å; V279-Y287 HydrophobicContact CG1-CE1 3.71Å; V279-Y287 HydrophobicContact CG1-CE2 4.23Å; V279-Y287 HydrophobicContact CG1-CG 3.8Å; N280-Y287 HydrophobicContact CB-CE2 4.38Å; N280-Y287 PolarHBondContact ND2-OH 3.39Å; D283-Y287 PolarHBondContact O-N 3.23Å; Y287-P289 VanDerWaalsContact O-CD 3.23Å; Y287-P289 WeakPolarHBondContact O-CD 3.34Å; Y287-V316 HydrophobicContact CE1-CG1 4.01Å; Y287-V316 WeakPolarHBondContact OH-CG1 3.39Å; Y287-Q324 PolarHBondContact OH-OE1 2.83Å |
| 288 | F | 96.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 33% | 0.326 | C | S | . | . | trans | -110.5 | 88.6 | 176.1 | -67.6 | -65.1 | 0 | 0 | 0 | 110.3 | V279 H284 V290 D293 R294 L297 R321 Q324 A325 L328 | V279-F288 HydrophobicContact CG1-CE2 4.29Å; V279-F288 HydrophobicContact CG2-CD2 4.49Å; V279-F288 HydrophobicContact CG2-CE2 4.11Å; H284-F288 PolarHBondContact O-N 3.44Å; F288-V290 PolarHBondContact O-N 2.89Å; F288-D293 HydrophobicContact CB-CB 4.02Å; F288-D293 HydrophobicContact CD1-CB 3.67Å; F288-D293 HydrophobicContact CE1-CB 4.42Å; F288-D293 HydrophobicContact CG-CB 3.99Å; F288-R294 HydrophobicContact CB-CG 4.23Å; F288-R294 PolarHBondContact O-NE 3.43Å; F288-R294 PolarHBondContact O-NH2 3.25Å; F288-L297 HydrophobicContact CD2-CD1 3.61Å; F288-L297 HydrophobicContact CE2-CD1 3.77Å; F288-R321 HydrophobicContact CD1-CG 3.79Å; F288-R321 HydrophobicContact CE1-CG 4.1Å; F288-R321 WeakPolarHBondContact CE1-O 3.4Å; F288-Q324 HydrophobicContact CE1-CB 4.22Å; F288-Q324 HydrophobicContact CZ-CB 4.11Å; F288-A325 HydrophobicContact CD1-CB 4.47Å; F288-A325 HydrophobicContact CE1-CB 3.99Å; F288-A325 HydrophobicContact CZ-CB 4.12Å; F288-L328 HydrophobicContact CE2-CD1 3.94Å; F288-L328 HydrophobicContact CZ-CD1 4.13Å | ||
| 289 | P | 95.5 | Very high | 95.6 | Very high | 85 Ų | 85 | 65 Ų | 65 | 55% | 0.552 | 34% | 0.337 | S | S | * | . | trans | -68.7 | -23 | 180 | 25.8 | -34.4 | 0 | 0 | 0 | 113.2 | Y287 R294 | Y287-P289 VanDerWaalsContact O-CD 3.23Å; Y287-P289 WeakPolarHBondContact O-CD 3.34Å; P289-R294 PolarHBondContact O-NH2 3.16Å | ||
| 290 | V | 96.8 | Very high | 95.6 | Very high | 49 Ų | 49 | 65 Ų | 65 | 30% | 0.297 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -89.7 | 129.4 | -176.2 | 175.5 | 0 | 0 | 0 | 0 | 110.9 | F288 Q292 D293 R294 R321 | F288-V290 PolarHBondContact O-N 2.89Å; V290-Q292 VanDerWaalsContact C-N 3.3Å; V290-Q292 HydrophobicContact CG1-CB 4.06Å; V290-Q292 PolarHBondContact O-N 3.48Å; V290-D293 PolarHBondContact O-N 3.32Å; V290-D293 VanDerWaalsContact O-N 3.1Å; V290-R294 PolarHBondContact O-N 2.95Å; V290-R321 VanDerWaalsContact CG2-NH1 3.32Å |
| 291 | L | 96.2 | Very high | 95.6 | Very high | 110 Ų | 110 | 62.2 Ų | 62.2 | 58% | 0.576 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -54.2 | -43.8 | -177.4 | -176 | 66.2 | 0 | 0 | 0 | 112.9 | D293 R294 E295 | L291-D293 PolarHBondContact O-N 3.08Å; L291-D293 VanDerWaalsContact O-N 3.13Å; L291-R294 WeakPolarHBondContact O-CA 3.46Å; L291-R294 WeakPolarHBondContact O-CB 3.49Å; L291-R294 PolarHBondContact O-N 2.65Å; L291-E295 HydrophobicContact CG-CG 4.32Å; L291-E295 PolarHBondContact O-N 3.05Å |
| 292 | Q | 97.1 | Very high | 95.7 | Very high | 119 Ų | 119 | 64.7 Ų | 64.7 | 56% | 0.556 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -53.2 | -37.8 | 179.5 | -174.8 | -179.7 | 27.1 | 0 | 0 | 112.7 | V290 Q296 | V290-Q292 VanDerWaalsContact C-N 3.3Å; V290-Q292 HydrophobicContact CG1-CB 4.06Å; V290-Q292 PolarHBondContact O-N 3.48Å; Q292-Q296 WeakPolarHBondContact O-CG 3.39Å; Q292-Q296 PolarHBondContact O-N 3.21Å |
| 293 | D | 96.7 | Very high | 95.7 | Very high | 2 Ų | 2 | 63.6 Ų | 63.6 | 1% | 0.011 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -74.9 | -33.9 | -179 | -62.4 | -49.1 | 0 | 0 | 0 | 111.3 | F288 V290 L291 Q296 L297 R321 S322 A325 | F288-D293 HydrophobicContact CB-CB 4.02Å; F288-D293 HydrophobicContact CD1-CB 3.67Å; F288-D293 HydrophobicContact CE1-CB 4.42Å; F288-D293 HydrophobicContact CG-CB 3.99Å; V290-D293 PolarHBondContact O-N 3.32Å; V290-D293 VanDerWaalsContact O-N 3.1Å; L291-D293 PolarHBondContact O-N 3.08Å; L291-D293 VanDerWaalsContact O-N 3.13Å; D293-Q296 PolarHBondContact O-N 2.8Å; D293-L297 PolarHBondContact O-N 3.06Å; D293-R321 WeakPolarHBondContact OD2-CD 3.49Å; D293-R321 WeakPolarHBondContact OD2-CG 3.36Å; D293-R321 IonicContact OD2-CZ 2.73Å; D293-R321 IonicContact OD2-NE 3.38Å; D293-R321 PolarHBondContact OD2-NE 3.27Å; D293-R321 IonicContact OD2-NH2 2.8Å; D293-S322 VanDerWaalsContact OD1-CA 3.27Å; D293-S322 WeakPolarHBondContact OD1-CA 3.34Å; D293-A325 HydrophobicContact CB-CB 3.79Å |
| 294 | R | 95.5 | Very high | 95.6 | Very high | 59 Ų | 59 | 62.1 Ų | 62.1 | 22% | 0.223 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67.3 | -42.9 | 174.1 | -58.4 | 176.9 | -173.7 | 166.3 | 0.8 | 111.4 | L285 F288 P289 V290 L291 Q296 L297 M298 | L285-R294 PolarHBondContact O-NH2 3.41Å; F288-R294 HydrophobicContact CB-CG 4.23Å; F288-R294 PolarHBondContact O-NE 3.43Å; F288-R294 PolarHBondContact O-NH2 3.25Å; P289-R294 PolarHBondContact O-NH2 3.16Å; V290-R294 PolarHBondContact O-N 2.95Å; L291-R294 WeakPolarHBondContact O-CA 3.46Å; L291-R294 WeakPolarHBondContact O-CB 3.49Å; L291-R294 PolarHBondContact O-N 2.65Å; R294-Q296 PolarHBondContact O-N 3.08Å; R294-L297 WeakPolarHBondContact O-CB 3.27Å; R294-L297 PolarHBondContact O-N 2.83Å; R294-M298 WeakPolarHBondContact O-CG 3.5Å; R294-M298 PolarHBondContact O-N 3.49Å |
| 295 | E | 96.5 | Very high | 95.6 | Very high | 102 Ų | 102 | 63.3 Ų | 63.3 | 48% | 0.477 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -56.7 | -38.9 | 175.1 | -71.7 | 174.4 | 176.2 | 0 | 0 | 111.8 | L291 L297 M298 F299 | L291-E295 HydrophobicContact CG-CG 4.32Å; L291-E295 PolarHBondContact O-N 3.05Å; E295-L297 VanDerWaalsContact C-N 3.32Å; E295-L297 PolarHBondContact O-N 2.98Å; E295-M298 PolarHBondContact O-N 3.39Å; E295-F299 WeakPolarHBondContact O-CB 3.4Å; E295-F299 PolarHBondContact O-N 3.44Å |
| 296 | Q | 96.3 | Very high | 95.4 | Very high | 48 Ų | 48 | 60.9 Ų | 60.9 | 22% | 0.224 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64 | -36.1 | 176.4 | -67 | -59.2 | -59 | 0 | 0 | 112.8 | Q292 D293 R294 A325 R329 | Q292-Q296 WeakPolarHBondContact O-CG 3.39Å; Q292-Q296 PolarHBondContact O-N 3.21Å; D293-Q296 PolarHBondContact O-N 2.8Å; R294-Q296 PolarHBondContact O-N 3.08Å; Q296-A325 HydrophobicContact CB-CB 4.38Å; Q296-R329 WeakPolarHBondContact O-CB 3.47Å; Q296-R329 WeakPolarHBondContact O-CD 3.47Å; Q296-R329 WeakPolarHBondContact O-CG 3.43Å |
| 297 | L | 95.1 | Very high | 95.3 | Very high | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -72.4 | -38 | 177 | -62.6 | 174.5 | 0 | 0 | 0 | 111.8 | L277 F288 D293 R294 E295 P300 L328 I332 | L277-L297 HydrophobicContact CD1-CB 4.14Å; L277-L297 HydrophobicContact CD1-CD1 4.26Å; L277-L297 HydrophobicContact CD2-CD1 4.26Å; F288-L297 HydrophobicContact CD2-CD1 3.61Å; F288-L297 HydrophobicContact CE2-CD1 3.77Å; D293-L297 PolarHBondContact O-N 3.06Å; R294-L297 WeakPolarHBondContact O-CB 3.27Å; R294-L297 PolarHBondContact O-N 2.83Å; E295-L297 VanDerWaalsContact C-N 3.32Å; E295-L297 PolarHBondContact O-N 2.98Å; L297-P300 WeakPolarHBondContact O-CD 3.19Å; L297-L328 HydrophobicContact CD2-CB 3.47Å; L297-L328 VanDerWaalsContact CD2-CB 3.47Å; L297-L328 HydrophobicContact CD2-CD1 4.01Å; L297-L328 HydrophobicContact CD2-CG 4.41Å; L297-I332 HydrophobicContact CD2-CD1 3.99Å |
| 298 | M | 94.8 | Very high | 95 | Very high | 84 Ų | 84 | 58 Ų | 58 | 41% | 0.414 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -74.9 | -32 | -178.5 | -67.2 | 178.4 | 70.7 | 0 | 0 | 113.1 | R294 E295 L301 Q302 L307 | R294-M298 WeakPolarHBondContact O-CG 3.5Å; R294-M298 PolarHBondContact O-N 3.49Å; E295-M298 PolarHBondContact O-N 3.39Å; M298-L301 PolarHBondContact O-N 2.92Å; M298-L301 VanDerWaalsContact O-N 3.08Å; M298-Q302 WeakPolarHBondContact O-CB 3.33Å; M298-Q302 PolarHBondContact O-N 3.12Å; M298-L307 HydrophobicContact CE-CD2 4.37Å |
| 299 | F | 96.4 | Very high | 94.8 | Very high | 81 Ų | 81 | 63 Ų | 63 | 36% | 0.355 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -48.1 | -49.6 | -174.9 | -175.6 | -118.2 | 0 | 0 | 0 | 115.2 | E295 L301 Q302 F303 L353 | E295-F299 WeakPolarHBondContact O-CB 3.4Å; E295-F299 PolarHBondContact O-N 3.44Å; F299-L301 PolarHBondContact O-N 2.83Å; F299-Q302 PolarHBondContact O-N 3.35Å; F299-F303 VanDerWaalsContact O-CB 3.27Å; F299-F303 WeakPolarHBondContact O-CB 3.34Å; F299-F303 PolarHBondContact O-N 2.88Å; F299-L353 HydrophobicContact CD1-CD2 3.3Å; F299-L353 HydrophobicContact CD1-CG 4.26Å; F299-L353 HydrophobicContact CE1-CD1 4.24Å; F299-L353 HydrophobicContact CE1-CD2 3.4Å; F299-L353 VanDerWaalsContact CE1-CD2 3.4Å; F299-L353 HydrophobicContact CE1-CG 3.9Å; F299-L353 HydrophobicContact CG-CD2 4.49Å |
| 300 | P | 96.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.9 | -35.6 | 178.9 | 25.1 | -35.1 | 0 | 0 | 0 | 114 | L297 C304 R329 I332 S333 L336 M348 L353 | L297-P300 WeakPolarHBondContact O-CD 3.19Å; P300-C304 PolarHBondContact O-N 3.13Å; P300-C304 PolarHBondContact O-SG 3.31Å; P300-R329 HydrophobicContact CG-CG 4.36Å; P300-I332 HydrophobicContact CB-CG2 4.34Å; P300-I332 HydrophobicContact CG-CB 4.23Å; P300-I332 HydrophobicContact CG-CG2 3.77Å; P300-S333 WeakPolarHBondContact CB-OG 3.48Å; P300-L336 HydrophobicContact CB-CD1 4.05Å; P300-M348 HydrophobicContact CB-CE 4.46Å; P300-L353 HydrophobicContact CB-CD1 4.35Å; P300-L353 HydrophobicContact CB-CD2 4.26Å |
| 301 | L | 94.9 | Very high | 94.7 | Very high | 15 Ų | 15 | 59.1 Ų | 59.1 | 8% | 0.079 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -70 | -42.2 | 176.6 | -65.6 | 171.3 | 0 | 0 | 0 | 111.3 | M298 F299 C304 G305 L306 L307 F310 L312 L336 | M298-L301 PolarHBondContact O-N 2.92Å; M298-L301 VanDerWaalsContact O-N 3.08Å; F299-L301 PolarHBondContact O-N 2.83Å; L301-C304 PolarHBondContact O-N 2.8Å; L301-G305 PolarHBondContact O-N 2.87Å; L301-L306 PolarHBondContact O-N 3.23Å; L301-L307 HydrophobicContact CB-CD2 3.7Å; L301-L307 HydrophobicContact CB-CG 4.33Å; L301-L307 HydrophobicContact CD1-CD2 4.48Å; L301-F310 HydrophobicContact CD2-CD2 4.03Å; L301-L312 HydrophobicContact CD1-CD1 3.95Å; L301-L336 HydrophobicContact CD2-CD1 3.96Å; L301-L336 HydrophobicContact CD2-CD2 4Å |
| 302 | Q | 95.8 | Very high | 94.7 | Very high | 121 Ų | 121 | 54.1 Ų | 54.1 | 57% | 0.565 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -65.4 | -41.7 | 177.1 | -174.4 | 178 | 3.7 | 0 | 0 | 111.6 | M298 F299 C304 G305 L307 | M298-Q302 WeakPolarHBondContact O-CB 3.33Å; M298-Q302 PolarHBondContact O-N 3.12Å; F299-Q302 PolarHBondContact O-N 3.35Å; Q302-C304 VanDerWaalsContact C-N 3.27Å; Q302-C304 PolarHBondContact O-N 2.85Å; Q302-G305 PolarHBondContact O-N 2.99Å; Q302-G305 VanDerWaalsContact O-N 3.11Å; Q302-L307 HydrophobicContact CB-CD1 4.02Å; Q302-L307 HydrophobicContact CB-CD2 4.42Å; Q302-L307 HydrophobicContact CB-CG 4.31Å; Q302-L307 HydrophobicContact CG-CD1 4.12Å |
| 303 | F | 95.9 | Very high | 94.6 | Very high | 89 Ų | 89 | 51.5 Ų | 51.5 | 39% | 0.39 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60 | -38 | 179.6 | -176.9 | -95.7 | 0 | 0 | 0 | 112.3 | F299 A347 M348 A351 L353 | F299-F303 VanDerWaalsContact O-CB 3.27Å; F299-F303 WeakPolarHBondContact O-CB 3.34Å; F299-F303 PolarHBondContact O-N 2.88Å; F303-A347 HydrophobicContact CE1-CB 4.08Å; F303-A347 HydrophobicContact CZ-CB 4.13Å; F303-M348 HydrophobicContact CD1-CG 3.85Å; F303-M348 HydrophobicContact CE1-CB 4.45Å; F303-M348 HydrophobicContact CE1-CG 3.83Å; F303-A351 HydrophobicContact CD2-CB 4.45Å; F303-A351 HydrophobicContact CE1-CB 4.39Å; F303-A351 HydrophobicContact CE2-CB 3.8Å; F303-A351 HydrophobicContact CZ-CB 3.77Å; F303-L353 HydrophobicContact CB-CD1 4.17Å; F303-L353 HydrophobicContact CD1-CD1 3.96Å; F303-L353 HydrophobicContact CG-CD1 4.04Å |
| 304 | C | 92.8 | Very high | 94.6 | Very high | 23 Ų | 23 | 51.4 Ų | 51.4 | 16% | 0.155 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -3.3 | 178.7 | -52.1 | 0 | 0 | 0 | 0 | 113.4 | P300 L301 Q302 L306 L340 | P300-C304 PolarHBondContact O-N 3.13Å; P300-C304 PolarHBondContact O-SG 3.31Å; L301-C304 PolarHBondContact O-N 2.8Å; Q302-C304 VanDerWaalsContact C-N 3.27Å; Q302-C304 PolarHBondContact O-N 2.85Å; C304-L306 VanDerWaalsContact C-N 3.3Å; C304-L306 HydrophobicContact CB-CB 4.5Å; C304-L306 HydrophobicContact CB-CD1 3.81Å; C304-L306 HydrophobicContact CB-CG 3.93Å; C304-L306 PolarHBondContact O-N 2.61Å; C304-L340 HydrophobicContact CB-CD2 4.15Å |
| 305 | G | 91.9 | Very high | 94.7 | Very high | 66 Ų | 66 | 51.5 Ų | 51.5 | 68% | 0.68 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68 | 25.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | L301 Q302 | L301-G305 PolarHBondContact O-N 2.87Å; Q302-G305 PolarHBondContact O-N 2.99Å; Q302-G305 VanDerWaalsContact O-N 3.11Å |
| 306 | L | 91.2 | Very high | 94.8 | Very high | 26 Ų | 26 | 47 Ų | 47 | 14% | 0.136 | 26% | 0.261 | C | S | . | . | trans | -110.4 | 27.7 | -174 | -58.5 | 174.3 | 0 | 0 | 0 | 113 | L301 C304 G308 R309 F310 L340 | L301-L306 PolarHBondContact O-N 3.23Å; C304-L306 VanDerWaalsContact C-N 3.3Å; C304-L306 HydrophobicContact CB-CB 4.5Å; C304-L306 HydrophobicContact CB-CD1 3.81Å; C304-L306 HydrophobicContact CB-CG 3.93Å; C304-L306 PolarHBondContact O-N 2.61Å; L306-G308 PolarHBondContact O-N 3.34Å; L306-R309 PolarHBondContact O-N 2.94Å; L306-F310 HydrophobicContact CB-CD2 4.23Å; L306-F310 HydrophobicContact CB-CE2 3.72Å; L306-F310 HydrophobicContact CD1-CE2 3.61Å; L306-F310 HydrophobicContact CD1-CZ 4.09Å; L306-F310 HydrophobicContact CG-CE2 4.16Å; L306-L340 HydrophobicContact CD1-CD2 3.66Å | ||
| 307 | L | 92.1 | Very high | 94.8 | Very high | 90 Ų | 90 | 48.5 Ų | 48.5 | 47% | 0.471 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | 129.4 | 175.7 | -73.5 | 170.6 | 0 | 0 | 0 | 110.5 | M298 L301 Q302 R309 | M298-L307 HydrophobicContact CE-CD2 4.37Å; L301-L307 HydrophobicContact CB-CD2 3.7Å; L301-L307 HydrophobicContact CB-CG 4.33Å; L301-L307 HydrophobicContact CD1-CD2 4.48Å; Q302-L307 HydrophobicContact CB-CD1 4.02Å; Q302-L307 HydrophobicContact CB-CD2 4.42Å; Q302-L307 HydrophobicContact CB-CG 4.31Å; Q302-L307 HydrophobicContact CG-CD1 4.12Å; L307-R309 VanDerWaalsContact C-N 3.31Å; L307-R309 PolarHBondContact O-N 2.8Å |
| 308 | G | 90.1 | Very high | 94.8 | Very high | 47 Ų | 47 | 50.5 Ų | 50.5 | 49% | 0.485 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.5 | -3.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | A274 G275 L306 | A274-G308 CarbonylContact C-O 3.55Å; G275-G308 PolarHBondContact N-O 3.02Å; L306-G308 PolarHBondContact O-N 3.34Å |
| 309 | R | 92.8 | Very high | 94.8 | Very high | 106 Ų | 106 | 48.7 Ų | 48.7 | 40% | 0.4 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -36.5 | 179.9 | 179.5 | 179.2 | 170.8 | 173.6 | -2.7 | 113.9 | D271 G273 L306 L307 | D271-R309 IonicContact OD1-CZ 2.85Å; D271-R309 IonicContact OD1-NE 2.78Å; D271-R309 PolarHBondContact OD1-NE 3.43Å; D271-R309 IonicContact OD1-NH2 3.62Å; D271-R309 PolarHBondContact OD1-NH2 2.74Å; D271-R309 IonicContact OD2-CZ 3.57Å; D271-R309 IonicContact OD2-NE 3.59Å; D271-R309 IonicContact OD2-NH2 2.66Å; D271-R309 PolarHBondContact OD2-NH2 2.86Å; G273-R309 WeakPolarHBondContact CA-O 3.47Å; G273-R309 PolarHBondContact N-O 3.35Å; L306-R309 PolarHBondContact O-N 2.94Å; L307-R309 VanDerWaalsContact C-N 3.31Å; L307-R309 PolarHBondContact O-N 2.8Å |
| 310 | F | 94.4 | Very high | 94.7 | Very high | 4 Ų | 4 | 46.5 Ų | 46.5 | 2% | 0.018 | 30% | 0.3 | C | S | . | . | trans | -109.3 | 144.9 | -170.8 | -59.3 | -73.9 | 0 | 0 | 0 | 111.9 | V269 R270 D271 G275 L301 L306 L312 L336 F339 | V269-F310 HydrophobicContact CG1-CB 3.77Å; V269-F310 HydrophobicContact CG1-CD1 3.72Å; V269-F310 HydrophobicContact CG1-CD2 4.48Å; V269-F310 HydrophobicContact CG1-CE1 4.45Å; V269-F310 HydrophobicContact CG1-CG 3.75Å; R270-F310 WeakPolarHBondContact O-CA 3.34Å; D271-F310 HydrophobicContact CB-CD1 4.43Å; D271-F310 HydrophobicContact CB-CE1 4.26Å; D271-F310 WeakPolarHBondContact OD1-CE1 3.42Å; G275-F310 VanDerWaalsContact CA-O 3.27Å; G275-F310 WeakPolarHBondContact CA-O 3.41Å; L301-F310 HydrophobicContact CD2-CD2 4.03Å; L306-F310 HydrophobicContact CB-CD2 4.23Å; L306-F310 HydrophobicContact CB-CE2 3.72Å; L306-F310 HydrophobicContact CD1-CE2 3.61Å; L306-F310 HydrophobicContact CD1-CZ 4.09Å; L306-F310 HydrophobicContact CG-CE2 4.16Å; F310-L312 HydrophobicContact CB-CD2 4.45Å; F310-L336 HydrophobicContact CD2-CD2 3.68Å; F310-L336 HydrophobicContact CE2-CD2 3.49Å; F310-L336 VanDerWaalsContact CE2-CD2 3.49Å; F310-L336 HydrophobicContact CG-CD2 4.43Å; F310-L336 HydrophobicContact CZ-CD2 4.16Å; F310-F339 HydrophobicContact CD1-CD2 4.47Å; F310-F339 HydrophobicContact CD1-CE2 4.4Å; F310-F339 HydrophobicContact CE1-CB 4.24Å; F310-F339 HydrophobicContact CE1-CD1 4.13Å; F310-F339 AromaticContact CE1-CD2 3.74Å; F310-F339 HydrophobicContact CE1-CD2 3.74Å; F310-F339 HydrophobicContact CE1-CE1 4.41Å; F310-F339 HydrophobicContact CE1-CE2 4.02Å; F310-F339 AromaticContact CE1-CG 3.79Å; F310-F339 HydrophobicContact CE1-CG 3.79Å; F310-F339 HydrophobicContact CE1-CZ 4.35Å; F310-F339 HydrophobicContact CZ-CB 3.92Å; F310-F339 HydrophobicContact CZ-CD2 4.01Å; F310-F339 AromaticContact CZ-CG 3.97Å; F310-F339 HydrophobicContact CZ-CG 3.97Å | ||
| 311 | D | 95.3 | Very high | 94.6 | Very high | 48 Ų | 48 | 52.1 Ų | 52.1 | 26% | 0.257 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 130.6 | 164.1 | -72.7 | -17.7 | 0 | 0 | 0 | 109.3 | R270 G273 A274 G275 R276 | R270-D311 PolarHBondContact N-O 2.88Å; R270-D311 PolarHBondContact O-N 3.22Å; R270-D311 VanDerWaalsContact O-N 3.12Å; G273-D311 WeakPolarHBondContact CA-OD1 3.41Å; G273-D311 WeakPolarHBondContact CA-OD2 3.16Å; A274-D311 PolarHBondContact N-OD1 3.47Å; A274-D311 PolarHBondContact N-OD2 2.95Å; G275-D311 PolarHBondContact N-OD1 3.34Å; R276-D311 WeakPolarHBondContact CB-OD1 3.4Å; R276-D311 PolarHBondContact N-OD1 3.09Å; R276-D311 WeakPolarHBondContact O-CA 3.48Å |
| 312 | L | 96 | Very high | 94.7 | Very high | 5 Ų | 5 | 54 Ų | 54 | 3% | 0.026 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 114.9 | -173 | -62.6 | -178.7 | 0 | 0 | 0 | 109.5 | V267 V269 R276 L277 T278 L301 F310 I332 | V267-L312 HydrophobicContact CG1-CD2 4.18Å; V269-L312 HydrophobicContact CB-CD2 4Å; V269-L312 HydrophobicContact CG1-CD2 3.78Å; V269-L312 HydrophobicContact CG2-CD2 3.48Å; V269-L312 VanDerWaalsContact CG2-CD2 3.48Å; R276-L312 PolarHBondContact O-N 3Å; L277-L312 WeakPolarHBondContact CA-O 3.42Å; L277-L312 HydrophobicContact CB-CB 4.43Å; L277-L312 HydrophobicContact CD1-CD1 3.72Å; L277-L312 HydrophobicContact CG-CB 3.93Å; L277-L312 HydrophobicContact CG-CD1 3.89Å; L277-L312 HydrophobicContact CG-CG 4.5Å; T278-L312 PolarHBondContact N-O 3.42Å; T278-L312 PolarHBondContact OG1-O 3.03Å; L301-L312 HydrophobicContact CD1-CD1 3.95Å; F310-L312 HydrophobicContact CB-CD2 4.45Å; L312-I332 HydrophobicContact CD1-CD1 4.02Å; L312-I332 HydrophobicContact CD1-CG1 4.26Å; L312-I332 HydrophobicContact CD1-CG2 4.41Å |
| 313 | D | 96.3 | Very high | 94.7 | Very high | 65 Ų | 65 | 48.5 Ų | 48.5 | 35% | 0.348 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 110.8 | 169.2 | -164.7 | 16.8 | 0 | 0 | 0 | 110.4 | V267 V268 T278 | V267-D313 WeakPolarHBondContact CA-O 3.11Å; V268-D313 HydrophobicContact CB-CB 4.46Å; V268-D313 PolarHBondContact N-O 3.27Å; V268-D313 PolarHBondContact O-N 3.05Å; T278-D313 PolarHBondContact OG1-OD1 3Å |
| 314 | C | 96.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 131.2 | -171.1 | -57.4 | 0 | 0 | 0 | 0 | 110.6 | S266 V267 T278 V279 N280 L328 | S266-C314 WeakPolarHBondContact O-CA 3.35Å; V267-C314 HydrophobicContact CG2-CB 4.06Å; V267-C314 VanDerWaalsContact CG2-SG 3.57Å; T278-C314 WeakPolarHBondContact O-CA 3.38Å; T278-C314 VanDerWaalsContact O-CB 3.22Å; T278-C314 WeakPolarHBondContact O-CB 3.41Å; T278-C314 PolarHBondContact O-N 3.1Å; V279-C314 CarbonylContact C-O 3.51Å; V279-C314 WeakPolarHBondContact CA-O 3.4Å; V279-C314 HydrophobicContact CG2-CB 4.15Å; N280-C314 PolarHBondContact N-O 3.44Å; C314-L328 HydrophobicContact CB-CD1 4.14Å; C314-L328 HydrophobicContact CB-CD2 3.73Å |
| 315 | S | 97.5 | Very high | 95 | Very high | 61 Ų | 61 | 44.5 Ų | 44.5 | 43% | 0.427 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 125.8 | 168.3 | -70.5 | 0 | 0 | 0 | 0 | 109.8 | G265 S266 N280 | G265-S315 CarbonylContact C-O 3.55Å; G265-S315 WeakPolarHBondContact CA-O 3.39Å; S266-S315 PolarHBondContact N-O 2.91Å; S266-S315 PolarHBondContact O-N 2.92Å; N280-S315 WeakPolarHBondContact OD1-CA 3.39Å |
| 316 | V | 97.5 | Very high | 95.3 | Very high | 8 Ų | 8 | 41.5 Ų | 41.5 | 5% | 0.048 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 136.6 | -177.9 | 73.2 | 0 | 0 | 0 | 0 | 112.3 | R264 V279 N280 Y287 Q324 L328 | R264-V316 WeakPolarHBondContact O-CG2 3.27Å; V279-V316 HydrophobicContact CG1-CG1 3.76Å; N280-V316 PolarHBondContact ND2-O 3.29Å; N280-V316 PolarHBondContact OD1-N 3Å; N280-V316 PolarHBondContact OD1-O 2.88Å; Y287-V316 HydrophobicContact CE1-CG1 4.01Å; Y287-V316 WeakPolarHBondContact OH-CG1 3.39Å; V316-Q324 HydrophobicContact CG1-CB 4.33Å; V316-Q324 HydrophobicContact CG1-CG 4.41Å; V316-Q324 HydrophobicContact CG2-CB 3.75Å; V316-Q324 HydrophobicContact CG2-CG 3.77Å; V316-L328 HydrophobicContact CB-CD1 4.25Å; V316-L328 HydrophobicContact CB-CD2 4.11Å; V316-L328 HydrophobicContact CB-CG 4.2Å; V316-L328 HydrophobicContact CG1-CD1 4.29Å; V316-L328 HydrophobicContact CG2-CD2 4.46Å; V316-L328 HydrophobicContact CG2-CG 4.25Å |
| 317 | S | 96.5 | Very high | 95.6 | Very high | 79 Ų | 79 | 40.3 Ų | 40.3 | 55% | 0.552 | 25% | 0.254 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 150.5 | 180 | 63.7 | 0 | 0 | 0 | 0 | 112.6 | S263 R264 | S263-S317 WeakPolarHBondContact CA-O 3.36Å; R264-S317 PolarHBondContact N-O 2.74Å; R264-S317 PolarHBondContact O-N 2.66Å |
| 318 | G | 94.9 | Very high | 95.8 | Very high | 43 Ų | 43 | 36 Ų | 36 | 44% | 0.443 | 23% | 0.232 | S | C | . | . | S | Bend | trans | 73.8 | 171.6 | 176 | 0 | 0 | 0 | 0 | 0 | 115.7 | S263 Q324 | S263-G318 PolarHBondContact OG-O 2.95Å; G318-Q324 WeakPolarHBondContact O-CG 3.44Å; G318-Q324 PolarHBondContact O-NE2 2.84Å; G318-Q324 VanDerWaalsContact O-NE2 3.16Å |
| 319 | G | 94.8 | Very high | 96.2 | Very high | 45 Ų | 45 | 36.5 Ų | 36.5 | 46% | 0.464 | 22% | 0.219 | S | C | . | . | S | Bend | trans | 65.7 | -146.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | S262 S263 | S262-G319 VanDerWaalsContact OG-CA 3.23Å; S262-G319 WeakPolarHBondContact OG-CA 3.38Å; S263-G319 WeakPolarHBondContact OG-CA 3.24Å |
| 320 | G | 94.9 | Very high | 96.4 | Very high | 35 Ų | 35 | 31.9 Ų | 31.9 | 36% | 0.361 | 20% | 0.202 | S | C | . | . | trans | -130.7 | 175.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | S322 S323 Q324 | G320-S322 PolarHBondContact O-N 2.94Å; G320-S323 PolarHBondContact N-OG 2.82Å; G320-S323 PolarHBondContact O-N 2.83Å; G320-S323 PolarHBondContact O-OG 3.26Å; G320-Q324 WeakPolarHBondContact O-CG 3.27Å; G320-Q324 PolarHBondContact O-N 2.94Å | ||
| 321 | R | 94.9 | Very high | 96.5 | Very high | 119 Ų | 119 | 31.7 Ų | 31.7 | 45% | 0.449 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -45.1 | -55.8 | -171.8 | -167.5 | -175.4 | 68 | -147.4 | 1.2 | 114.7 | F288 V290 D293 S323 Q324 A325 | F288-R321 HydrophobicContact CD1-CG 3.79Å; F288-R321 HydrophobicContact CE1-CG 4.1Å; F288-R321 WeakPolarHBondContact CE1-O 3.4Å; V290-R321 VanDerWaalsContact CG2-NH1 3.32Å; D293-R321 WeakPolarHBondContact OD2-CD 3.49Å; D293-R321 WeakPolarHBondContact OD2-CG 3.36Å; D293-R321 IonicContact OD2-CZ 2.73Å; D293-R321 IonicContact OD2-NE 3.38Å; D293-R321 PolarHBondContact OD2-NE 3.27Å; D293-R321 IonicContact OD2-NH2 2.8Å; R321-S323 PolarHBondContact O-N 3.39Å; R321-Q324 WeakPolarHBondContact O-CB 3.47Å; R321-Q324 PolarHBondContact O-N 3.31Å; R321-A325 PolarHBondContact O-N 3.36Å |
| 322 | S | 96.3 | Very high | 96.6 | Very high | 53 Ų | 53 | 29.4 Ų | 29.4 | 37% | 0.371 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -72.6 | -25.9 | -177.9 | 61.6 | 0 | 0 | 0 | 0 | 114.4 | R260 D293 G320 G326 | R260-S322 PolarHBondContact NH1-O 3.43Å; D293-S322 VanDerWaalsContact OD1-CA 3.27Å; D293-S322 WeakPolarHBondContact OD1-CA 3.34Å; G320-S322 PolarHBondContact O-N 2.94Å; S322-G326 PolarHBondContact O-N 2.8Å |
| 323 | S | 96.7 | Very high | 96.6 | Very high | 7 Ų | 7 | 29.1 Ų | 29.1 | 5% | 0.049 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -75.2 | -35.2 | 172.6 | 61.9 | 0 | 0 | 0 | 0 | 111.5 | S263 G320 R321 A327 | S263-S323 WeakPolarHBondContact OG-CB 3.13Å; S263-S323 PolarHBondContact OG-OG 2.9Å; G320-S323 PolarHBondContact N-OG 2.82Å; G320-S323 PolarHBondContact O-N 2.83Å; G320-S323 PolarHBondContact O-OG 3.26Å; R321-S323 PolarHBondContact O-N 3.39Å; S323-A327 WeakPolarHBondContact O-CB 3.27Å; S323-A327 PolarHBondContact O-N 2.87Å |
| 324 | Q | 97.4 | Very high | 96.5 | Very high | 27 Ų | 27 | 29.3 Ų | 29.3 | 13% | 0.126 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.7 | -50.1 | 173.6 | -69.2 | 175 | -20.7 | 0 | 0 | 111.3 | S263 Y287 F288 V316 G318 G320 R321 G326 A327 L328 | S263-Q324 WeakPolarHBondContact OG-CG 3.41Å; S263-Q324 PolarHBondContact OG-N 2.82Å; Y287-Q324 PolarHBondContact OH-OE1 2.83Å; F288-Q324 HydrophobicContact CE1-CB 4.22Å; F288-Q324 HydrophobicContact CZ-CB 4.11Å; V316-Q324 HydrophobicContact CG1-CB 4.33Å; V316-Q324 HydrophobicContact CG1-CG 4.41Å; V316-Q324 HydrophobicContact CG2-CB 3.75Å; V316-Q324 HydrophobicContact CG2-CG 3.77Å; G318-Q324 WeakPolarHBondContact O-CG 3.44Å; G318-Q324 PolarHBondContact O-NE2 2.84Å; G318-Q324 VanDerWaalsContact O-NE2 3.16Å; G320-Q324 WeakPolarHBondContact O-CG 3.27Å; G320-Q324 PolarHBondContact O-N 2.94Å; R321-Q324 WeakPolarHBondContact O-CB 3.47Å; R321-Q324 PolarHBondContact O-N 3.31Å; Q324-G326 VanDerWaalsContact C-N 3.31Å; Q324-G326 PolarHBondContact O-N 2.88Å; Q324-A327 WeakPolarHBondContact O-CB 3.48Å; Q324-A327 PolarHBondContact O-N 3.49Å; Q324-A327 VanDerWaalsContact O-N 3.08Å; Q324-L328 PolarHBondContact O-N 2.83Å |
| 325 | A | 97.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57 | -43.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | F288 D293 Q296 R321 L328 R329 | F288-A325 HydrophobicContact CD1-CB 4.47Å; F288-A325 HydrophobicContact CE1-CB 3.99Å; F288-A325 HydrophobicContact CZ-CB 4.12Å; D293-A325 HydrophobicContact CB-CB 3.79Å; Q296-A325 HydrophobicContact CB-CB 4.38Å; R321-A325 PolarHBondContact O-N 3.36Å; A325-L328 PolarHBondContact O-N 2.94Å; A325-R329 WeakPolarHBondContact O-CB 3.48Å; A325-R329 PolarHBondContact O-N 2.98Å |
| 326 | G | 97.2 | Very high | 96.3 | Very high | 4 Ų | 4 | 26.4 Ų | 26.4 | 4% | 0.041 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -71.9 | -27.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | S322 Q324 L330 | S322-G326 PolarHBondContact O-N 2.8Å; Q324-G326 VanDerWaalsContact C-N 3.31Å; Q324-G326 PolarHBondContact O-N 2.88Å; G326-L330 PolarHBondContact O-N 3.13Å |
| 327 | A | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -69.5 | -44.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | G258 R260 S323 Q324 L330 A331 | G258-A327 WeakPolarHBondContact CA-O 3.46Å; R260-A327 HydrophobicContact CB-CB 4.09Å; S323-A327 WeakPolarHBondContact O-CB 3.27Å; S323-A327 PolarHBondContact O-N 2.87Å; Q324-A327 WeakPolarHBondContact O-CB 3.48Å; Q324-A327 PolarHBondContact O-N 3.49Å; Q324-A327 VanDerWaalsContact O-N 3.08Å; A327-L330 PolarHBondContact O-N 3.32Å; A327-A331 PolarHBondContact O-N 3.39Å; A327-A331 VanDerWaalsContact O-N 3.08Å |
| 328 | L | 97.4 | Very high | 96 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.9 | -41.9 | 175 | -70.7 | 178.9 | 0 | 0 | 0 | 112.1 | V267 V279 F288 L297 C314 V316 Q324 A325 L330 A331 I332 | V267-L328 HydrophobicContact CG2-CD2 3.7Å; V279-L328 HydrophobicContact CG1-CD1 4.03Å; V279-L328 HydrophobicContact CG2-CD1 4.25Å; F288-L328 HydrophobicContact CE2-CD1 3.94Å; F288-L328 HydrophobicContact CZ-CD1 4.13Å; L297-L328 HydrophobicContact CD2-CB 3.47Å; L297-L328 VanDerWaalsContact CD2-CB 3.47Å; L297-L328 HydrophobicContact CD2-CD1 4.01Å; L297-L328 HydrophobicContact CD2-CG 4.41Å; C314-L328 HydrophobicContact CB-CD1 4.14Å; C314-L328 HydrophobicContact CB-CD2 3.73Å; V316-L328 HydrophobicContact CB-CD1 4.25Å; V316-L328 HydrophobicContact CB-CD2 4.11Å; V316-L328 HydrophobicContact CB-CG 4.2Å; V316-L328 HydrophobicContact CG1-CD1 4.29Å; V316-L328 HydrophobicContact CG2-CD2 4.46Å; V316-L328 HydrophobicContact CG2-CG 4.25Å; Q324-L328 PolarHBondContact O-N 2.83Å; A325-L328 PolarHBondContact O-N 2.94Å; L328-L330 VanDerWaalsContact C-N 3.27Å; L328-L330 PolarHBondContact O-N 2.92Å; L328-A331 WeakPolarHBondContact O-CB 3.42Å; L328-A331 PolarHBondContact O-N 3.27Å; L328-I332 VanDerWaalsContact O-CG1 3.27Å; L328-I332 WeakPolarHBondContact O-CG1 3.44Å; L328-I332 PolarHBondContact O-N 2.91Å |
| 329 | R | 97.6 | Very high | 95.8 | Very high | 58 Ų | 58 | 23.1 Ų | 23.1 | 22% | 0.219 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -52 | -46.1 | 173.5 | -177.7 | -174.6 | 78.1 | 158.8 | 19 | 112.3 | Q296 P300 A325 S333 L353 | Q296-R329 WeakPolarHBondContact O-CB 3.47Å; Q296-R329 WeakPolarHBondContact O-CD 3.47Å; Q296-R329 WeakPolarHBondContact O-CG 3.43Å; P300-R329 HydrophobicContact CG-CG 4.36Å; A325-R329 WeakPolarHBondContact O-CB 3.48Å; A325-R329 PolarHBondContact O-N 2.98Å; R329-S333 WeakPolarHBondContact O-CB 3.35Å; R329-S333 PolarHBondContact O-N 2.7Å; R329-S333 PolarHBondContact O-OG 3.5Å; R329-L353 HydrophobicContact CG-CD2 4.39Å |
| 330 | L | 97.2 | Very high | 95.6 | Very high | 8 Ų | 8 | 22.2 Ų | 22.2 | 4% | 0.042 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -66.9 | -41.2 | 177.9 | 179 | 63.6 | 0 | 0 | 0 | 111.7 | G326 A327 L328 S333 R334 L353 L354 P356 | G326-L330 PolarHBondContact O-N 3.13Å; A327-L330 PolarHBondContact O-N 3.32Å; L328-L330 VanDerWaalsContact C-N 3.27Å; L328-L330 PolarHBondContact O-N 2.92Å; L330-S333 PolarHBondContact O-N 3.24Å; L330-R334 HydrophobicContact CD1-CG 4.44Å; L330-R334 WeakPolarHBondContact O-CG 3.39Å; L330-R334 PolarHBondContact O-N 3.23Å; L330-L353 VanDerWaalsContact CD1-O 3.27Å; L330-L353 WeakPolarHBondContact CD1-O 3.45Å; L330-L354 WeakPolarHBondContact CD1-O 3.39Å; L330-P356 HydrophobicContact CD2-CB 3.98Å |
| 331 | A | 96.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -62.6 | -49.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | A256 V267 A327 L328 S333 R334 A335 | A256-A331 WeakPolarHBondContact CB-O 3.49Å; V267-A331 HydrophobicContact CB-CB 4.13Å; V267-A331 HydrophobicContact CG2-CB 3.63Å; A327-A331 PolarHBondContact O-N 3.39Å; A327-A331 VanDerWaalsContact O-N 3.08Å; L328-A331 WeakPolarHBondContact O-CB 3.42Å; L328-A331 PolarHBondContact O-N 3.27Å; A331-S333 VanDerWaalsContact C-N 3.33Å; A331-S333 PolarHBondContact O-N 2.62Å; A331-R334 PolarHBondContact O-N 3.32Å; A331-R334 VanDerWaalsContact O-N 3.16Å; A331-A335 PolarHBondContact O-N 3.13Å |
| 332 | I | 96.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -55.6 | -49.6 | 175.2 | -64.6 | 164.6 | 0 | 0 | 0 | 109.8 | V267 L297 P300 L312 L328 R334 A335 L336 | V267-I332 HydrophobicContact CB-CG1 4.48Å; V267-I332 HydrophobicContact CG1-CG1 4.07Å; V267-I332 HydrophobicContact CG2-CG1 4.04Å; L297-I332 HydrophobicContact CD2-CD1 3.99Å; P300-I332 HydrophobicContact CB-CG2 4.34Å; P300-I332 HydrophobicContact CG-CB 4.23Å; P300-I332 HydrophobicContact CG-CG2 3.77Å; L312-I332 HydrophobicContact CD1-CD1 4.02Å; L312-I332 HydrophobicContact CD1-CG1 4.26Å; L312-I332 HydrophobicContact CD1-CG2 4.41Å; L328-I332 VanDerWaalsContact O-CG1 3.27Å; L328-I332 WeakPolarHBondContact O-CG1 3.44Å; L328-I332 PolarHBondContact O-N 2.91Å; I332-R334 VanDerWaalsContact C-N 3.26Å; I332-R334 PolarHBondContact O-N 2.92Å; I332-A335 PolarHBondContact O-N 2.78Å; I332-L336 HydrophobicContact CG2-CD1 3.79Å; I332-L336 HydrophobicContact CG2-CG 4.17Å; I332-L336 WeakPolarHBondContact O-CB 3.43Å; I332-L336 VanDerWaalsContact O-CG 3.27Å; I332-L336 WeakPolarHBondContact O-CG 3.48Å; I332-L336 PolarHBondContact O-N 3.23Å |
| 333 | S | 96 | Very high | 94.9 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -58 | -38.5 | -179.6 | -57.4 | 0 | 0 | 0 | 0 | 112.7 | P300 R329 L330 A331 M348 L353 L354 | P300-S333 WeakPolarHBondContact CB-OG 3.48Å; R329-S333 WeakPolarHBondContact O-CB 3.35Å; R329-S333 PolarHBondContact O-N 2.7Å; R329-S333 PolarHBondContact O-OG 3.5Å; L330-S333 PolarHBondContact O-N 3.24Å; A331-S333 VanDerWaalsContact C-N 3.33Å; A331-S333 PolarHBondContact O-N 2.62Å; S333-M348 WeakPolarHBondContact O-CE 3.27Å; S333-L353 WeakPolarHBondContact CB-O 3.37Å; S333-L354 WeakPolarHBondContact O-CD2 3.4Å |
| 334 | R | 95.6 | Very high | 94.7 | Very high | 69 Ų | 69 | 28.1 Ų | 28.1 | 26% | 0.26 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -74 | -38.8 | 178.9 | -75.7 | 171.4 | 172.7 | -171.4 | -9.1 | 112.7 | A256 E257 L330 A331 I332 L337 L354 | A256-R334 HydrophobicContact CB-CB 3.62Å; E257-R334 WeakPolarHBondContact O-CD 3.22Å; E257-R334 PolarHBondContact O-NH1 3.21Å; L330-R334 HydrophobicContact CD1-CG 4.44Å; L330-R334 WeakPolarHBondContact O-CG 3.39Å; L330-R334 PolarHBondContact O-N 3.23Å; A331-R334 PolarHBondContact O-N 3.32Å; A331-R334 VanDerWaalsContact O-N 3.16Å; I332-R334 VanDerWaalsContact C-N 3.26Å; I332-R334 PolarHBondContact O-N 2.92Å; R334-L337 WeakPolarHBondContact O-CB 3.4Å; R334-L337 PolarHBondContact O-N 2.9Å; R334-L354 HydrophobicContact CG-CD2 4.33Å |
| 335 | A | 95.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -69.1 | -36.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | S254 A256 V269 A331 I332 L337 S338 | S254-A335 WeakPolarHBondContact OG-CB 3.15Å; S254-A335 PolarHBondContact OG-O 2.98Å; A256-A335 HydrophobicContact CB-CB 3.78Å; V269-A335 HydrophobicContact CB-CB 4.15Å; V269-A335 HydrophobicContact CG2-CB 3.32Å; A331-A335 PolarHBondContact O-N 3.13Å; I332-A335 PolarHBondContact O-N 2.78Å; A335-L337 PolarHBondContact O-N 3.37Å; A335-S338 PolarHBondContact O-N 2.92Å |
| 336 | L | 94.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.6 | -26.8 | 176.3 | -73.8 | 173.2 | 0 | 0 | 0 | 113.3 | V269 P300 L301 F310 I332 S338 F339 L340 | V269-L336 HydrophobicContact CG1-CD2 4.34Å; P300-L336 HydrophobicContact CB-CD1 4.05Å; L301-L336 HydrophobicContact CD2-CD1 3.96Å; L301-L336 HydrophobicContact CD2-CD2 4Å; F310-L336 HydrophobicContact CD2-CD2 3.68Å; F310-L336 HydrophobicContact CE2-CD2 3.49Å; F310-L336 VanDerWaalsContact CE2-CD2 3.49Å; F310-L336 HydrophobicContact CG-CD2 4.43Å; F310-L336 HydrophobicContact CZ-CD2 4.16Å; I332-L336 HydrophobicContact CG2-CD1 3.79Å; I332-L336 HydrophobicContact CG2-CG 4.17Å; I332-L336 WeakPolarHBondContact O-CB 3.43Å; I332-L336 VanDerWaalsContact O-CG 3.27Å; I332-L336 WeakPolarHBondContact O-CG 3.48Å; I332-L336 PolarHBondContact O-N 3.23Å; L336-S338 PolarHBondContact O-N 3.08Å; L336-S338 VanDerWaalsContact O-N 3.14Å; L336-F339 PolarHBondContact O-N 2.95Å; L336-L340 HydrophobicContact CB-CD1 4.19Å; L336-L340 VanDerWaalsContact O-CG 3.32Å; L336-L340 WeakPolarHBondContact O-CG 3.21Å; L336-L340 PolarHBondContact O-N 2.84Å |
| 337 | L | 93.8 | Very high | 94 | Very high | 9 Ų | 9 | 32.8 Ų | 32.8 | 5% | 0.047 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -57.4 | -29.6 | 178.8 | -70.9 | 174.9 | 0 | 0 | 0 | 113.7 | Q239 R334 A335 F339 L340 M348 L354 | Q239-L337 HydrophobicContact CB-CD1 4.01Å; Q239-L337 HydrophobicContact CG-CD1 3.57Å; R334-L337 WeakPolarHBondContact O-CB 3.4Å; R334-L337 PolarHBondContact O-N 2.9Å; A335-L337 PolarHBondContact O-N 3.37Å; L337-F339 PolarHBondContact O-N 3.02Å; L337-L340 PolarHBondContact O-N 2.82Å; L337-M348 HydrophobicContact CD2-SD 4.33Å; L337-L354 HydrophobicContact CD1-CD1 3.95Å; L337-L354 HydrophobicContact CD1-CD2 3.7Å; L337-L354 HydrophobicContact CD1-CG 4.46Å; L337-L354 HydrophobicContact CD2-CD1 3.99Å; L337-L354 HydrophobicContact CD2-CD2 4.27Å; L337-L354 HydrophobicContact CG-CD1 4.44Å; L337-L354 HydrophobicContact CG-CD2 4.01Å |
| 338 | S | 92.5 | Very high | 93.8 | Very high | 16 Ų | 16 | 32.8 Ų | 32.8 | 11% | 0.112 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -67 | -21.1 | 178 | -55.8 | 0 | 0 | 0 | 0 | 113.3 | P242 L244 A335 L336 | P242-S338 WeakPolarHBondContact CD-OG 3.22Å; P242-S338 VanDerWaalsContact CG-OG 3.26Å; P242-S338 WeakPolarHBondContact CG-OG 3.35Å; P242-S338 WeakPolarHBondContact O-CB 3.35Å; P242-S338 PolarHBondContact O-OG 3.15Å; L244-S338 VanDerWaalsContact CD2-CB 3.49Å; A335-S338 PolarHBondContact O-N 2.92Å; L336-S338 PolarHBondContact O-N 3.08Å; L336-S338 VanDerWaalsContact O-N 3.14Å |
| 339 | F | 91.6 | Very high | 93.6 | Very high | 35 Ų | 35 | 36 Ų | 36 | 15% | 0.154 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -104.6 | -3.1 | -177.8 | -57.4 | -71.7 | 0 | 0 | 0 | 113.3 | L244 D252 S254 V269 D271 F310 L336 L337 | L244-F339 HydrophobicContact CD2-CD1 3.81Å; L244-F339 HydrophobicContact CD2-CE1 3.35Å; L244-F339 HydrophobicContact CD2-CE2 4.37Å; L244-F339 HydrophobicContact CD2-CG 4.49Å; L244-F339 HydrophobicContact CD2-CZ 3.68Å; D252-F339 HydrophobicContact CB-CE1 4.36Å; S254-F339 WeakPolarHBondContact OG-CE2 3.48Å; V269-F339 HydrophobicContact CB-CE2 4.08Å; V269-F339 HydrophobicContact CG1-CD2 4.35Å; V269-F339 HydrophobicContact CG1-CE2 3.73Å; D271-F339 HydrophobicContact CB-CE1 3.95Å; D271-F339 HydrophobicContact CB-CZ 4.41Å; F310-F339 HydrophobicContact CD1-CD2 4.47Å; F310-F339 HydrophobicContact CD1-CE2 4.4Å; F310-F339 HydrophobicContact CE1-CB 4.24Å; F310-F339 HydrophobicContact CE1-CD1 4.13Å; F310-F339 AromaticContact CE1-CD2 3.74Å; F310-F339 HydrophobicContact CE1-CD2 3.74Å; F310-F339 HydrophobicContact CE1-CE1 4.41Å; F310-F339 HydrophobicContact CE1-CE2 4.02Å; F310-F339 AromaticContact CE1-CG 3.79Å; F310-F339 HydrophobicContact CE1-CG 3.79Å; F310-F339 HydrophobicContact CE1-CZ 4.35Å; F310-F339 HydrophobicContact CZ-CB 3.92Å; F310-F339 HydrophobicContact CZ-CD2 4.01Å; F310-F339 AromaticContact CZ-CG 3.97Å; F310-F339 HydrophobicContact CZ-CG 3.97Å; L336-F339 PolarHBondContact O-N 2.95Å; L337-F339 PolarHBondContact O-N 3.02Å |
| 340 | L | 90.9 | Very high | 93.4 | Very high | 26 Ų | 26 | 40.3 Ų | 40.3 | 14% | 0.136 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -108.7 | 157.5 | -172.5 | -69.4 | 173 | 0 | 0 | 0 | 111.8 | C304 L306 L336 L337 E344 M348 | C304-L340 HydrophobicContact CB-CD2 4.15Å; L306-L340 HydrophobicContact CD1-CD2 3.66Å; L336-L340 HydrophobicContact CB-CD1 4.19Å; L336-L340 VanDerWaalsContact O-CG 3.32Å; L336-L340 WeakPolarHBondContact O-CG 3.21Å; L336-L340 PolarHBondContact O-N 2.84Å; L337-L340 PolarHBondContact O-N 2.82Å; L340-E344 HydrophobicContact CB-CB 4.19Å; L340-E344 HydrophobicContact CD2-CB 4.29Å; L340-M348 HydrophobicContact CD1-SD 3.34Å; L340-M348 WeakPolarHBondContact CD1-SD 3.1Å |
| 341 | S | 91.6 | Very high | 93.3 | Very high | 52 Ų | 52 | 42 Ų | 42 | 36% | 0.364 | 22% | 0.224 | S | C | . | . | trans | -70.4 | 158.5 | 169.3 | 65.7 | 0 | 0 | 0 | 0 | 111.6 | S343 E344 G345 | S341-S343 VanDerWaalsContact C-N 3.25Å; S341-S343 PolarHBondContact O-N 3.01Å; S341-S343 PolarHBondContact OG-OG 2.76Å; S341-S343 VanDerWaalsContact OG-OG 3.07Å; S341-E344 WeakPolarHBondContact CB-OE2 3.33Å; S341-E344 PolarHBondContact N-OE2 3.1Å; S341-E344 PolarHBondContact O-N 2.91Å; S341-E344 VanDerWaalsContact O-N 3.17Å; S341-E344 VanDerWaalsContact OG-CD 3.23Å; S341-E344 VanDerWaalsContact OG-CG 3.3Å; S341-E344 WeakPolarHBondContact OG-CG 3.41Å; S341-E344 PolarHBondContact OG-N 2.85Å; S341-E344 PolarHBondContact OG-OE2 2.93Å; S341-G345 PolarHBondContact O-N 3.48Å | ||
| 342 | Q | 88.9 | Confident | 93.2 | Very high | 122 Ų | 122 | 43.3 Ų | 43.3 | 57% | 0.57 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -57.3 | -38.2 | 177.4 | -177.9 | 173.3 | -10.5 | 0 | 0 | 112.5 | H238 G345 E346 | H238-Q342 PolarHBondContact CD2-NE2 2.96Å; Q342-G345 PolarHBondContact O-N 3.02Å; Q342-E346 PolarHBondContact O-N 2.86Å |
| 343 | S | 91.6 | Very high | 93.2 | Very high | 81 Ų | 81 | 43.3 Ų | 43.3 | 57% | 0.566 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -64.1 | -39.9 | 177.6 | 42.7 | 0 | 0 | 0 | 0 | 113.2 | S341 E346 A347 | S341-S343 VanDerWaalsContact C-N 3.25Å; S341-S343 PolarHBondContact O-N 3.01Å; S341-S343 PolarHBondContact OG-OG 2.76Å; S341-S343 VanDerWaalsContact OG-OG 3.07Å; S343-E346 PolarHBondContact O-N 3.39Å; S343-A347 PolarHBondContact O-N 2.79Å |
| 344 | E | 91.6 | Very high | 93.1 | Very high | 84 Ų | 84 | 43.5 Ų | 43.5 | 39% | 0.393 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -70.3 | -37.5 | 176.9 | -69.9 | 163.4 | 143.7 | 0 | 0 | 111 | L340 S341 E346 A347 M348 | L340-E344 HydrophobicContact CB-CB 4.19Å; L340-E344 HydrophobicContact CD2-CB 4.29Å; S341-E344 WeakPolarHBondContact CB-OE2 3.33Å; S341-E344 PolarHBondContact N-OE2 3.1Å; S341-E344 PolarHBondContact O-N 2.91Å; S341-E344 VanDerWaalsContact O-N 3.17Å; S341-E344 VanDerWaalsContact OG-CD 3.23Å; S341-E344 VanDerWaalsContact OG-CG 3.3Å; S341-E344 WeakPolarHBondContact OG-CG 3.41Å; S341-E344 PolarHBondContact OG-N 2.85Å; S341-E344 PolarHBondContact OG-OE2 2.93Å; E344-E346 VanDerWaalsContact C-N 3.31Å; E344-E346 PolarHBondContact O-N 3.27Å; E344-A347 WeakPolarHBondContact O-CB 3.25Å; E344-A347 PolarHBondContact O-N 3.43Å; E344-A347 VanDerWaalsContact O-N 3.16Å; E344-M348 WeakPolarHBondContact O-CG 3.43Å; E344-M348 PolarHBondContact O-N 3.31Å |
| 345 | G | 91.3 | Very high | 93 | Very high | 11 Ų | 11 | 44.2 Ų | 44.2 | 11% | 0.113 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.9 | -41.1 | 172 | 0 | 0 | 0 | 0 | 0 | 112.7 | S341 Q342 M348 R349 | S341-G345 PolarHBondContact O-N 3.48Å; Q342-G345 PolarHBondContact O-N 3.02Å; G345-M348 PolarHBondContact O-N 2.64Å; G345-R349 PolarHBondContact O-N 2.8Å |
| 346 | E | 92.1 | Very high | 93 | Very high | 80 Ų | 80 | 47.4 Ų | 47.4 | 37% | 0.374 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.8 | -39 | 173.6 | -72.8 | -177.5 | -168.2 | 0 | 0 | 112.6 | Q342 S343 E344 R349 Q350 | Q342-E346 PolarHBondContact O-N 2.86Å; S343-E346 PolarHBondContact O-N 3.39Å; E344-E346 VanDerWaalsContact C-N 3.31Å; E344-E346 PolarHBondContact O-N 3.27Å; E346-R349 WeakPolarHBondContact O-CB 3.48Å; E346-R349 PolarHBondContact O-N 2.91Å; E346-Q350 WeakPolarHBondContact O-CG 3.46Å; E346-Q350 PolarHBondContact O-N 3.23Å |
| 347 | A | 93.8 | Very high | 93.1 | Very high | 37 Ų | 37 | 49.4 Ų | 49.4 | 31% | 0.306 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.4 | -43.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | F303 S343 E344 R349 Q350 A351 | F303-A347 HydrophobicContact CE1-CB 4.08Å; F303-A347 HydrophobicContact CZ-CB 4.13Å; S343-A347 PolarHBondContact O-N 2.79Å; E344-A347 WeakPolarHBondContact O-CB 3.25Å; E344-A347 PolarHBondContact O-N 3.43Å; E344-A347 VanDerWaalsContact O-N 3.16Å; A347-R349 VanDerWaalsContact C-N 3.32Å; A347-R349 PolarHBondContact O-N 3.18Å; A347-Q350 PolarHBondContact O-N 3.02Å; A347-A351 WeakPolarHBondContact O-CB 3.5Å; A347-A351 PolarHBondContact O-N 2.72Å |
| 348 | M | 94.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.1 | -38.9 | 174.6 | -71.2 | -175.8 | 72.6 | 0 | 0 | 112.3 | P300 F303 S333 L337 L340 E344 G345 A351 G352 L353 L354 | P300-M348 HydrophobicContact CB-CE 4.46Å; F303-M348 HydrophobicContact CD1-CG 3.85Å; F303-M348 HydrophobicContact CE1-CB 4.45Å; F303-M348 HydrophobicContact CE1-CG 3.83Å; S333-M348 WeakPolarHBondContact O-CE 3.27Å; L337-M348 HydrophobicContact CD2-SD 4.33Å; L340-M348 HydrophobicContact CD1-SD 3.34Å; L340-M348 WeakPolarHBondContact CD1-SD 3.1Å; E344-M348 WeakPolarHBondContact O-CG 3.43Å; E344-M348 PolarHBondContact O-N 3.31Å; G345-M348 PolarHBondContact O-N 2.64Å; M348-A351 PolarHBondContact O-N 3.26Å; M348-G352 PolarHBondContact O-N 3.48Å; M348-L353 HydrophobicContact CB-CB 4.33Å; M348-L353 HydrophobicContact CB-CD1 4.29Å; M348-L353 HydrophobicContact CE-CB 4.21Å; M348-L353 HydrophobicContact CE-CD1 3.93Å; M348-L353 HydrophobicContact CG-CD1 4.14Å; M348-L353 WeakPolarHBondContact O-CB 3.21Å; M348-L353 PolarHBondContact O-N 3.42Å; M348-L353 VanDerWaalsContact O-N 3.07Å; M348-L354 HydrophobicContact CB-CD1 4.23Å; M348-L354 HydrophobicContact CB-CG 4.23Å; M348-L354 HydrophobicContact CE-CD2 4.38Å |
| 349 | R | 93 | Very high | 93.4 | Very high | 68 Ų | 68 | 62 Ų | 62 | 26% | 0.257 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.5 | -48.7 | 174.4 | -169 | -164.9 | 68.4 | -179.3 | 0.9 | 110.8 | M237 G345 E346 A347 A351 G352 L354 | M237-R349 PolarHBondContact O-NH1 3.01Å; G345-R349 PolarHBondContact O-N 2.8Å; E346-R349 WeakPolarHBondContact O-CB 3.48Å; E346-R349 PolarHBondContact O-N 2.91Å; A347-R349 VanDerWaalsContact C-N 3.32Å; A347-R349 PolarHBondContact O-N 3.18Å; R349-A351 VanDerWaalsContact C-N 3.29Å; R349-A351 PolarHBondContact O-N 2.97Å; R349-G352 PolarHBondContact O-N 3.16Å; R349-L354 HydrophobicContact CB-CD1 3.96Å |
| 350 | Q | 93.1 | Very high | 93.6 | Very high | 148 Ų | 148 | 65.1 Ų | 65.1 | 69% | 0.692 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -63.9 | -34.8 | 179.1 | -68.8 | 177.7 | 22.4 | 0 | 0 | 112.1 | E346 A347 G352 | E346-Q350 WeakPolarHBondContact O-CG 3.46Å; E346-Q350 PolarHBondContact O-N 3.23Å; A347-Q350 PolarHBondContact O-N 3.02Å; Q350-G352 PolarHBondContact O-N 3.14Å |
| 351 | A | 95.1 | Very high | 93.8 | Very high | 44 Ų | 44 | 75 Ų | 75 | 36% | 0.364 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -4.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | F303 A347 M348 R349 L353 | F303-A351 HydrophobicContact CD2-CB 4.45Å; F303-A351 HydrophobicContact CE1-CB 4.39Å; F303-A351 HydrophobicContact CE2-CB 3.8Å; F303-A351 HydrophobicContact CZ-CB 3.77Å; A347-A351 WeakPolarHBondContact O-CB 3.5Å; A347-A351 PolarHBondContact O-N 2.72Å; M348-A351 PolarHBondContact O-N 3.26Å; R349-A351 VanDerWaalsContact C-N 3.29Å; R349-A351 PolarHBondContact O-N 2.97Å; A351-L353 VanDerWaalsContact C-N 3.34Å; A351-L353 HydrophobicContact CB-CD1 4.47Å; A351-L353 HydrophobicContact CB-CG 4.43Å |
| 352 | G | 94.9 | Very high | 94.1 | Very high | 28 Ų | 28 | 76.1 Ų | 76.1 | 29% | 0.289 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | 21.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | M348 R349 Q350 | M348-G352 PolarHBondContact O-N 3.48Å; R349-G352 PolarHBondContact O-N 3.16Å; Q350-G352 PolarHBondContact O-N 3.14Å |
| 353 | L | 96.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 78.9 Ų | 78.9 | 0% | 0 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -76.6 | -32 | 178.3 | -76.5 | 173.5 | 0 | 0 | 0 | 112.8 | F299 P300 F303 R329 L330 S333 M348 A351 | F299-L353 HydrophobicContact CD1-CD2 3.3Å; F299-L353 HydrophobicContact CD1-CG 4.26Å; F299-L353 HydrophobicContact CE1-CD1 4.24Å; F299-L353 HydrophobicContact CE1-CD2 3.4Å; F299-L353 VanDerWaalsContact CE1-CD2 3.4Å; F299-L353 HydrophobicContact CE1-CG 3.9Å; F299-L353 HydrophobicContact CG-CD2 4.49Å; P300-L353 HydrophobicContact CB-CD1 4.35Å; P300-L353 HydrophobicContact CB-CD2 4.26Å; F303-L353 HydrophobicContact CB-CD1 4.17Å; F303-L353 HydrophobicContact CD1-CD1 3.96Å; F303-L353 HydrophobicContact CG-CD1 4.04Å; R329-L353 HydrophobicContact CG-CD2 4.39Å; L330-L353 VanDerWaalsContact CD1-O 3.27Å; L330-L353 WeakPolarHBondContact CD1-O 3.45Å; S333-L353 WeakPolarHBondContact CB-O 3.37Å; M348-L353 HydrophobicContact CB-CB 4.33Å; M348-L353 HydrophobicContact CB-CD1 4.29Å; M348-L353 HydrophobicContact CE-CB 4.21Å; M348-L353 HydrophobicContact CE-CD1 3.93Å; M348-L353 HydrophobicContact CG-CD1 4.14Å; M348-L353 WeakPolarHBondContact O-CB 3.21Å; M348-L353 PolarHBondContact O-N 3.42Å; M348-L353 VanDerWaalsContact O-N 3.07Å; A351-L353 VanDerWaalsContact C-N 3.34Å; A351-L353 HydrophobicContact CB-CD1 4.47Å; A351-L353 HydrophobicContact CB-CG 4.43Å |
| 354 | L | 94.5 | Very high | 94.8 | Very high | 4 Ų | 4 | 80.9 Ų | 80.9 | 2% | 0.021 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -92.9 | -12.2 | -175.8 | -57.2 | 176.5 | 0 | 0 | 0 | 113.6 | Q239 L330 S333 R334 L337 M348 R349 | Q239-L354 HydrophobicContact CB-CD1 4.34Å; Q239-L354 HydrophobicContact CG-CD1 4.25Å; L330-L354 WeakPolarHBondContact CD1-O 3.39Å; S333-L354 WeakPolarHBondContact O-CD2 3.4Å; R334-L354 HydrophobicContact CG-CD2 4.33Å; L337-L354 HydrophobicContact CD1-CD1 3.95Å; L337-L354 HydrophobicContact CD1-CD2 3.7Å; L337-L354 HydrophobicContact CD1-CG 4.46Å; L337-L354 HydrophobicContact CD2-CD1 3.99Å; L337-L354 HydrophobicContact CD2-CD2 4.27Å; L337-L354 HydrophobicContact CG-CD1 4.44Å; L337-L354 HydrophobicContact CG-CD2 4.01Å; M348-L354 HydrophobicContact CB-CD1 4.23Å; M348-L354 HydrophobicContact CB-CG 4.23Å; M348-L354 HydrophobicContact CE-CD2 4.38Å; R349-L354 HydrophobicContact CB-CD1 3.96Å |
| 355 | T | 93.6 | Very high | 95.1 | Very high | 83 Ų | 83 | 78.6 Ų | 78.6 | 51% | 0.509 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -84.6 | 122.6 | -177.2 | -49.8 | 0 | 0 | 0 | 0 | 110.7 | D357 | T355-D357 PolarHBondContact O-N 3.03Š|
| 356 | P | 94.4 | Very high | 95.4 | Very high | 68 Ų | 68 | 83.8 Ų | 83.8 | 44% | 0.442 | 42% | 0.422 | S | S | . | . | trans | -67.4 | 132.9 | 172.7 | 27.9 | -32.6 | 0 | 0 | 0 | 110.5 | L330 P358 | L330-P356 HydrophobicContact CD2-CB 3.98Å; P356-P358 WeakPolarHBondContact O-CD 3.44Å | ||
| 357 | D | 96.1 | Very high | 95.6 | Very high | 42 Ų | 42 | 83.1 Ų | 83.1 | 23% | 0.225 | 44% | 0.437 | C | S | . | . | trans | -72.2 | 110.6 | 178 | -173.4 | -11 | 0 | 0 | 0 | 110.2 | R260 T355 R359 | R260-D357 IonicContact NE-OD2 3.26Å; T355-D357 PolarHBondContact O-N 3.03Å; D357-R359 PolarHBondContact O-N 3.25Å; D357-R359 VanDerWaalsContact OD1-CB 3.22Å; D357-R359 WeakPolarHBondContact OD1-CB 3.47Å; D357-R359 VanDerWaalsContact OD1-CG 3.24Å; D357-R359 WeakPolarHBondContact OD1-CG 3.35Å; D357-R359 IonicContact OD1-CZ 3.86Å; D357-R359 PolarHBondContact OD1-N 2.85Å; D357-R359 IonicContact OD1-NE 3.59Å; D357-R359 PolarHBondContact OD1-NE 2.94Å; D357-R359 IonicContact OD1-NH2 3.79Å; D357-R359 IonicContact OD2-CZ 2.76Å; D357-R359 IonicContact OD2-NE 3.91Å; D357-R359 PolarHBondContact OD2-NE 2.72Å; D357-R359 IonicContact OD2-NH2 3.86Å; D357-R359 PolarHBondContact OD2-NH2 2.74Å | ||
| 358 | P | 96.5 | Very high | 95.8 | Very high | 114 Ų | 114 | 83.2 Ų | 83.2 | 74% | 0.74 | 43% | 0.431 | S | S | * | . | trans | -77.3 | -4.7 | -176.2 | 33.6 | -35.9 | 0 | 0 | 0 | 112.8 | P356 V360 | P356-P358 WeakPolarHBondContact O-CD 3.44Å; P358-V360 PolarHBondContact O-N 2.92Å; P358-V360 VanDerWaalsContact O-N 3.1Å | ||
| 359 | R | 95.9 | Very high | 95.9 | Very high | 175 Ų | 175 | 86.7 Ų | 86.7 | 66% | 0.66 | 45% | 0.448 | S | S | * | . | trans | -71.2 | 107.7 | -176.4 | -62.6 | 176.4 | -64.8 | -177.9 | -1.3 | 110.7 | D357 | D357-R359 PolarHBondContact O-N 3.25Å; D357-R359 VanDerWaalsContact OD1-CB 3.22Å; D357-R359 WeakPolarHBondContact OD1-CB 3.47Å; D357-R359 VanDerWaalsContact OD1-CG 3.24Å; D357-R359 WeakPolarHBondContact OD1-CG 3.35Å; D357-R359 IonicContact OD1-CZ 3.86Å; D357-R359 PolarHBondContact OD1-N 2.85Å; D357-R359 IonicContact OD1-NE 3.59Å; D357-R359 PolarHBondContact OD1-NE 2.94Å; D357-R359 IonicContact OD1-NH2 3.79Å; D357-R359 IonicContact OD2-CZ 2.76Å; D357-R359 IonicContact OD2-NE 3.91Å; D357-R359 PolarHBondContact OD2-NE 2.72Å; D357-R359 IonicContact OD2-NH2 3.86Å; D357-R359 PolarHBondContact OD2-NH2 2.74Å | ||
| 360 | V | 96.2 | Very high | 96.1 | Very high | 100 Ų | 100 | 84.5 Ų | 84.5 | 61% | 0.606 | 45% | 0.446 | S | S | * | . | trans | -118.9 | 154.1 | 176.7 | -177.2 | 0 | 0 | 0 | 0 | 109.9 | P358 E362 | P358-V360 PolarHBondContact O-N 2.92Å; P358-V360 VanDerWaalsContact O-N 3.1Å; V360-E362 PolarHBondContact O-N 2.99Å; V360-E362 VanDerWaalsContact O-N 3.13Å | ||
| 361 | R | 96.2 | Very high | 96.3 | Very high | 233 Ų | 233 | 78.7 Ų | 78.7 | 88% | 0.879 | 42% | 0.423 | S | S | * | . | P | Polyproline II helix | trans | -58.1 | 119 | 176.1 | 179.4 | -178.6 | 175.2 | -131.9 | 4 | 109.8 | ||
| 362 | E | 96.6 | Very high | 96.3 | Very high | 76 Ų | 76 | 84.8 Ų | 84.8 | 36% | 0.355 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 141.8 | 176.3 | -168 | 178.8 | 175.6 | 0 | 0 | 111.6 | V360 K365 A371 R372 | V360-E362 PolarHBondContact O-N 2.99Å; V360-E362 VanDerWaalsContact O-N 3.13Å; E362-K365 IonicContact OE1-NZ 3.09Å; E362-K365 PolarHBondContact OE1-NZ 3.3Å; E362-K365 IonicContact OE2-NZ 3.17Å; E362-A371 HydrophobicContact CB-CB 4.08Å; E362-A371 HydrophobicContact CG-CB 4.34Å; E362-R372 VanDerWaalsContact CD-NE 3.35Å; E362-R372 IonicContact OE1-CZ 3.35Å; E362-R372 IonicContact OE1-NE 3.71Å; E362-R372 PolarHBondContact OE1-NE 3.46Å; E362-R372 IonicContact OE1-NH1 3.98Å; E362-R372 IonicContact OE1-NH2 2.94Å; E362-R372 PolarHBondContact OE1-NH2 3.1Å; E362-R372 IonicContact OE2-CZ 2.96Å; E362-R372 IonicContact OE2-NE 3.62Å; E362-R372 PolarHBondContact OE2-NE 3.06Å; E362-R372 IonicContact OE2-NH2 3.31Å; E362-R372 PolarHBondContact OE2-NH2 3.3Å |
| 363 | R | 97.9 | Very high | 96.5 | Very high | 180 Ų | 180 | 91.3 Ų | 91.3 | 68% | 0.679 | 45% | 0.453 | S | S | * | . | P | Polyproline II helix | trans | -64.9 | 148.4 | 177.7 | 71.7 | 179 | -177.8 | 87.8 | -4.9 | 112.3 | K365 A371 | R363-K365 PolarHBondContact O-NZ 3.26Å; R363-A371 WeakPolarHBondContact O-CB 3.23Å |
| 364 | K | 97.6 | Very high | 96.5 | Very high | 124 Ų | 124 | 96.8 Ų | 96.8 | 54% | 0.539 | 48% | 0.476 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 147.4 | 166.7 | -177.4 | 175.7 | 175.4 | 176.5 | 0 | 110 | Q368 E369 | K364-Q368 WeakPolarHBondContact CE-O 3.23Å; K364-E369 WeakPolarHBondContact CE-O 3.48Å; K364-E369 PolarHBondContact NZ-O 3.16Å |
| 365 | K | 98 | Very high | 96.7 | Very high | 36 Ų | 36 | 102.2 Ų | 102.2 | 16% | 0.157 | 50% | 0.5 | C | S | . | . | trans | -106.3 | 143.3 | 176.1 | -70.5 | 81.5 | -178.4 | 168.6 | 0 | 109.1 | E362 R363 Q368 A371 | E362-K365 IonicContact OE1-NZ 3.09Å; E362-K365 PolarHBondContact OE1-NZ 3.3Å; E362-K365 IonicContact OE2-NZ 3.17Å; R363-K365 PolarHBondContact O-NZ 3.26Å; K365-Q368 HydrophobicContact CB-CB 4.48Å; K365-Q368 HydrophobicContact CB-CG 4.16Å; K365-Q368 PolarHBondContact O-N 3.39Å; K365-A371 VanDerWaalsContact CD-O 3.25Å; K365-A371 WeakPolarHBondContact CD-O 3.14Å; K365-A371 WeakPolarHBondContact CE-O 2.97Å; K365-A371 PolarHBondContact NZ-O 3.43Å | ||
| 366 | P | 97.8 | Very high | 96.8 | Very high | 119 Ų | 119 | 104.2 Ų | 104.2 | 77% | 0.773 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 144.9 | 169.8 | 27.6 | -33.9 | 0 | 0 | 0 | 109.7 | Q368 | P366-Q368 VanDerWaalsContact C-N 3.3Å; P366-Q368 PolarHBondContact O-N 2.93Å |
| 367 | G | 96.5 | Very high | 97 | Very high | 67 Ų | 67 | 110.3 Ų | 110.3 | 69% | 0.691 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.5 | 11.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 368 | Q | 97.4 | Very high | 96.9 | Very high | 39 Ų | 39 | 117 Ų | 117 | 18% | 0.182 | 55% | 0.554 | C | S | . | * | S | Bend | trans | -131.1 | 151.7 | 176.5 | -54.2 | -173.9 | 14.6 | 0 | 0 | 110.6 | K364 K365 P366 K374 | K364-Q368 WeakPolarHBondContact CE-O 3.23Å; K365-Q368 HydrophobicContact CB-CB 4.48Å; K365-Q368 HydrophobicContact CB-CG 4.16Å; K365-Q368 PolarHBondContact O-N 3.39Å; P366-Q368 VanDerWaalsContact C-N 3.3Å; P366-Q368 PolarHBondContact O-N 2.93Å; Q368-K374 HydrophobicContact CB-CD 4.33Å; Q368-K374 HydrophobicContact CG-CD 3.69Å; Q368-K374 VanDerWaalsContact NE2-CE 3.32Å |
| 369 | E | 96.9 | Very high | 96.7 | Very high | 73 Ų | 73 | 119.7 Ų | 119.7 | 34% | 0.341 | 55% | 0.554 | S | S | . | * | S | Bend | trans | -69.8 | -43.1 | 179.2 | -167 | -179.6 | 164.4 | 0 | 0 | 110.9 | K364 R373 F375 | K364-E369 WeakPolarHBondContact CE-O 3.48Å; K364-E369 PolarHBondContact NZ-O 3.16Å; E369-R373 HydrophobicContact CB-CG 4.26Å; E369-R373 PolarHBondContact N-O 3.43Å; E369-R373 VanDerWaalsContact N-O 3.1Å; E369-R373 IonicContact OE1-CZ 3.74Å; E369-R373 VanDerWaalsContact OE1-CZ 3.26Å; E369-R373 IonicContact OE1-NE 3.22Å; E369-R373 PolarHBondContact OE1-NE 3.46Å; E369-R373 IonicContact OE1-NH1 3.99Å; E369-R373 IonicContact OE1-NH2 3.75Å; E369-R373 PolarHBondContact OE1-NH2 3.09Å; E369-R373 VanDerWaalsContact OE1-NH2 3.09Å; E369-R373 IonicContact OE2-CZ 3.41Å; E369-R373 VanDerWaalsContact OE2-CZ 3.3Å; E369-R373 IonicContact OE2-NE 2.86Å; E369-R373 PolarHBondContact OE2-NE 3.17Å; E369-R373 IonicContact OE2-NH2 2.74Å; E369-R373 PolarHBondContact OE2-NH2 2.73Å; E369-F375 HydrophobicContact CB-CD1 3.74Å; E369-F375 HydrophobicContact CB-CE1 3.7Å; E369-F375 HydrophobicContact CB-CG 4.47Å; E369-F375 HydrophobicContact CB-CZ 4.4Å; E369-F375 HydrophobicContact CG-CD1 4.17Å; E369-F375 HydrophobicContact CG-CE1 3.97Å |
| 370 | G | 96.4 | Very high | 95.9 | Very high | 21 Ų | 21 | 125.9 Ų | 125.9 | 22% | 0.216 | 58% | 0.577 | C | S | . | * | S | Bend | trans | -130.5 | -160.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | R372 R373 | G370-R372 VanDerWaalsContact C-N 3.29Å; G370-R372 PolarHBondContact O-N 2.99Å; G370-R373 PolarHBondContact N-O 3.07Å |
| 371 | A | 96.9 | Very high | 95.9 | Very high | 27 Ų | 27 | 127.2 Ų | 127.2 | 22% | 0.223 | 58% | 0.576 | C | S | . | * | S | Bend | trans | -66 | -33.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | E362 R363 K365 | E362-A371 HydrophobicContact CB-CB 4.08Å; E362-A371 HydrophobicContact CG-CB 4.34Å; R363-A371 WeakPolarHBondContact O-CB 3.23Å; K365-A371 VanDerWaalsContact CD-O 3.25Å; K365-A371 WeakPolarHBondContact CD-O 3.14Å; K365-A371 WeakPolarHBondContact CE-O 2.97Å; K365-A371 PolarHBondContact NZ-O 3.43Å |
| 372 | R | 96.8 | Very high | 95.9 | Very high | 172 Ų | 172 | 121.6 Ų | 121.6 | 65% | 0.649 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -129.3 | -35.3 | 179.2 | -60.7 | -64.5 | 178.6 | 166.8 | 4.3 | 112.7 | E362 G370 K374 | E362-R372 VanDerWaalsContact CD-NE 3.35Å; E362-R372 IonicContact OE1-CZ 3.35Å; E362-R372 IonicContact OE1-NE 3.71Å; E362-R372 PolarHBondContact OE1-NE 3.46Å; E362-R372 IonicContact OE1-NH1 3.98Å; E362-R372 IonicContact OE1-NH2 2.94Å; E362-R372 PolarHBondContact OE1-NH2 3.1Å; E362-R372 IonicContact OE2-CZ 2.96Å; E362-R372 IonicContact OE2-NE 3.62Å; E362-R372 PolarHBondContact OE2-NE 3.06Å; E362-R372 IonicContact OE2-NH2 3.31Å; E362-R372 PolarHBondContact OE2-NH2 3.3Å; G370-R372 VanDerWaalsContact C-N 3.29Å; G370-R372 PolarHBondContact O-N 2.99Å; R372-K374 PolarHBondContact O-N 2.77Å; R372-K374 PolarHBondContact O-NZ 2.81Å |
| 373 | R | 97.4 | Very high | 95.9 | Very high | 165 Ų | 165 | 124.2 Ų | 124.2 | 62% | 0.623 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 124.8 | 176.7 | -175.9 | 173.1 | 167.1 | 169.7 | -7.3 | 110.9 | E369 G370 | E369-R373 HydrophobicContact CB-CG 4.26Å; E369-R373 PolarHBondContact N-O 3.43Å; E369-R373 VanDerWaalsContact N-O 3.1Å; E369-R373 IonicContact OE1-CZ 3.74Å; E369-R373 VanDerWaalsContact OE1-CZ 3.26Å; E369-R373 IonicContact OE1-NE 3.22Å; E369-R373 PolarHBondContact OE1-NE 3.46Å; E369-R373 IonicContact OE1-NH1 3.99Å; E369-R373 IonicContact OE1-NH2 3.75Å; E369-R373 PolarHBondContact OE1-NH2 3.09Å; E369-R373 VanDerWaalsContact OE1-NH2 3.09Å; E369-R373 IonicContact OE2-CZ 3.41Å; E369-R373 VanDerWaalsContact OE2-CZ 3.3Å; E369-R373 IonicContact OE2-NE 2.86Å; E369-R373 PolarHBondContact OE2-NE 3.17Å; E369-R373 IonicContact OE2-NH2 2.74Å; E369-R373 PolarHBondContact OE2-NH2 2.73Å; G370-R373 PolarHBondContact N-O 3.07Å |
| 374 | K | 97.4 | Very high | 95.7 | Very high | 114 Ų | 114 | 120.9 Ų | 120.9 | 50% | 0.496 | 57% | 0.565 | S | S | . | * | P | Polyproline II helix | trans | -91.7 | 157.8 | 175.7 | -57.8 | -64.5 | -178.4 | -83.9 | 0 | 109.4 | Q368 R372 | Q368-K374 HydrophobicContact CB-CD 4.33Å; Q368-K374 HydrophobicContact CG-CD 3.69Å; Q368-K374 VanDerWaalsContact NE2-CE 3.32Å; R372-K374 PolarHBondContact O-N 2.77Å; R372-K374 PolarHBondContact O-NZ 2.81Å |
| 375 | F | 97.8 | Very high | 95.6 | Very high | 119 Ų | 119 | 120.7 Ų | 120.7 | 52% | 0.522 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -63.2 | 156.4 | 167.3 | -64.2 | -62.1 | 0 | 0 | 0 | 110.3 | E369 W377 | E369-F375 HydrophobicContact CB-CD1 3.74Å; E369-F375 HydrophobicContact CB-CE1 3.7Å; E369-F375 HydrophobicContact CB-CG 4.47Å; E369-F375 HydrophobicContact CB-CZ 4.4Å; E369-F375 HydrophobicContact CG-CD1 4.17Å; E369-F375 HydrophobicContact CG-CE1 3.97Å; F375-W377 PolarHBondContact O-N 3.38Å |
| 376 | T | 97.1 | Very high | 95.5 | Very high | 124 Ų | 124 | 126.3 Ų | 126.3 | 76% | 0.761 | 59% | 0.594 | S | S | * | * | trans | -58 | 114.9 | 173.7 | -51.2 | 0 | 0 | 0 | 0 | 109.5 | K378 | T376-K378 PolarHBondContact O-N 3.27Š| ||
| 377 | W | 96.6 | Very high | 95.3 | Very high | 196 Ų | 196 | 126.9 Ų | 126.9 | 74% | 0.742 | 58% | 0.581 | S | S | * | * | trans | -76.2 | 122 | 176.3 | 178.9 | 74.4 | 0 | 0 | 0 | 109.7 | F375 K379 | F375-W377 PolarHBondContact O-N 3.38Å; W377-K379 HydrophobicContact CE3-CB 4.11Å; W377-K379 HydrophobicContact CH2-CB 3.48Å; W377-K379 VanDerWaalsContact CH2-CB 3.48Å; W377-K379 HydrophobicContact CH2-CD 3.59Å; W377-K379 HydrophobicContact CH2-CG 3.33Å; W377-K379 HydrophobicContact CZ2-CB 4.09Å; W377-K379 HydrophobicContact CZ2-CG 4.05Å; W377-K379 HydrophobicContact CZ3-CB 3.48Å; W377-K379 VanDerWaalsContact CZ3-CB 3.48Å; W377-K379 HydrophobicContact CZ3-CD 3.8Å; W377-K379 HydrophobicContact CZ3-CG 3.77Å | ||
| 378 | K | 94.9 | Very high | 95.2 | Very high | 182 Ų | 182 | 131.5 Ų | 131.5 | 79% | 0.791 | 57% | 0.573 | S | S | * | * | trans | -96.5 | 120.3 | 172.3 | -65.3 | -173.5 | 179.8 | -177.7 | 0 | 108.5 | T376 | T376-K378 PolarHBondContact O-N 3.27Š| ||
| 379 | K | 92.6 | Very high | 95 | Very high | 172 Ų | 172 | 139.2 Ų | 139.2 | 75% | 0.748 | 61% | 0.605 | S | S | * | * | trans | -78.1 | -26.2 | -178 | -173.5 | 167.1 | -175.7 | -179.2 | 0 | 114 | W377 | W377-K379 HydrophobicContact CE3-CB 4.11Å; W377-K379 HydrophobicContact CH2-CB 3.48Å; W377-K379 VanDerWaalsContact CH2-CB 3.48Å; W377-K379 HydrophobicContact CH2-CD 3.59Å; W377-K379 HydrophobicContact CH2-CG 3.33Å; W377-K379 HydrophobicContact CZ2-CB 4.09Å; W377-K379 HydrophobicContact CZ2-CG 4.05Å; W377-K379 HydrophobicContact CZ3-CB 3.48Å; W377-K379 VanDerWaalsContact CZ3-CB 3.48Å; W377-K379 HydrophobicContact CZ3-CD 3.8Å; W377-K379 HydrophobicContact CZ3-CG 3.77Å | ||
| 380 | R | 79.4 | Confident | 94.9 | Very high | 305 Ų | 305 | 145.2 Ų | 145.2 | 100% | 1.151 | 63% | 0.629 | S | S | * | * | trans | -103.3 | 0 | -164.7 | -64.1 | -176.1 | -178.5 | -175.1 | 0.2 | 111.7 |
Retrieved 380 of 380 residues in 768.8 ms
(Link to these results)