| 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 | 43.1 | Very low | 43.2 | Very low | 236 Ų | 236 | 169.5 Ų | 169.5 | 100% | 1.163 | 83% | 0.834 | S | S | * | * | 0 | 118.2 | 0 | -66.2 | 165.2 | 176.9 | 0 | 0 | 106.7 | |||||
| 2 | T | 42 | Very low | 43.1 | Very low | 118 Ų | 118 | 164.3 Ų | 164.3 | 72% | 0.724 | 83% | 0.827 | S | S | * | * | cis | -155.5 | 127.9 | -8.5 | -33.8 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 3 | T | 42.9 | Very low | 43.2 | Very low | 112 Ų | 112 | 164.5 Ų | 164.5 | 69% | 0.687 | 83% | 0.832 | S | S | * | * | 34.4 | 126.7 | 88.1 | 6.6 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 4 | R | 46.4 | Very low | 42.9 | Very low | 215 Ų | 215 | 161.1 Ų | 161.1 | 81% | 0.811 | 82% | 0.824 | S | S | * | * | -169.7 | 136.9 | 56.2 | -119.9 | -176.3 | -179 | 134.8 | 0.6 | 108.5 | |||||
| 5 | H | 46.4 | Very low | 43 | Very low | 144 Ų | 144 | 161.3 Ų | 161.3 | 67% | 0.667 | 83% | 0.826 | S | S | * | * | 91.7 | 136.1 | 94.2 | -101 | -135.9 | 0 | 0 | 0 | 117.2 | |||||
| 6 | M | 42 | Very low | 42.8 | Very low | 165 Ų | 165 | 161.9 Ų | 161.9 | 81% | 0.813 | 82% | 0.824 | S | S | * | * | trans | 79 | 130 | 139.5 | -68.8 | 176.3 | 85.9 | 0 | 0 | 122 | ||||
| 7 | S | 37.7 | Very low | 43.1 | Very low | 106 Ų | 106 | 160.5 Ų | 160.5 | 74% | 0.741 | 83% | 0.825 | S | S | * | * | trans | -74.5 | 178.9 | 166.7 | -35.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 8 | M | 42.5 | Very low | 43 | Very low | 178 Ų | 178 | 159.9 Ų | 159.9 | 88% | 0.877 | 82% | 0.824 | S | S | * | * | trans | 77.1 | 137.8 | 176.9 | -39.3 | -160.7 | 80.6 | 0 | 0 | 111.2 | ||||
| 9 | E | 43.8 | Very low | 43.5 | Very low | 192 Ų | 192 | 161.3 Ų | 161.3 | 90% | 0.897 | 83% | 0.826 | S | S | * | * | cis | -117 | -175.8 | 23.6 | -74.1 | 159.8 | 104.6 | 0 | 0 | 114.7 | ||||
| 10 | K | 43.6 | Very low | 43.5 | Very low | 203 Ų | 203 | 163.1 Ų | 163.1 | 88% | 0.883 | 83% | 0.828 | S | S | * | * | trans | -135.4 | 77.6 | -177.1 | -166.1 | -177.1 | -174.7 | -174 | 0 | 109.4 | ||||
| 11 | E | 44.4 | Very low | 43.4 | Very low | 196 Ų | 196 | 161.1 Ų | 161.1 | 92% | 0.916 | 82% | 0.824 | S | S | * | * | trans | -78 | 163.2 | -179 | -156.7 | 162.8 | 168.8 | 0 | 0 | 111.8 | ||||
| 12 | S | 42.3 | Very low | 43.2 | Very low | 107 Ų | 107 | 157.6 Ų | 157.6 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | trans | -114.6 | 116 | -163 | -58.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 13 | D | 44.2 | Very low | 43.2 | Very low | 167 Ų | 167 | 162.6 Ų | 162.6 | 89% | 0.893 | 81% | 0.81 | S | S | * | * | trans | -106.4 | 127.1 | 164.5 | -105.1 | -45.8 | 0 | 0 | 0 | 110.6 | ||||
| 14 | T | 38.8 | Very low | 43 | Very low | 117 Ų | 117 | 164.5 Ų | 164.5 | 72% | 0.718 | 81% | 0.811 | S | S | * | * | trans | -103.9 | 107.4 | -176.6 | -62.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 15 | L | 44.7 | Very low | 42.9 | Very low | 163 Ų | 163 | 160.1 Ų | 160.1 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | trans | -109.9 | 122.4 | 166.1 | -70.2 | 178.1 | 0 | 0 | 0 | 110.1 | ||||
| 16 | Q | 40.1 | Very low | 42.6 | Very low | 171 Ų | 171 | 158.9 Ų | 158.9 | 80% | 0.799 | 81% | 0.812 | S | S | * | * | trans | -75.6 | 144.1 | -179.4 | -64.3 | 169.5 | -9.6 | 0 | 0 | 110.3 | ||||
| 17 | V | 47.3 | Very low | 42.5 | Very low | 138 Ų | 138 | 162.1 Ų | 162.1 | 84% | 0.836 | 82% | 0.815 | S | S | * | * | trans | -125.8 | 110.2 | 166.2 | -177.3 | 0 | 0 | 0 | 0 | 107.3 | E19 | V17-E19 PolarHBondContact O-N 2.71Š| ||
| 18 | D | 42.6 | Very low | 42.8 | Very low | 151 Ų | 151 | 166.4 Ų | 166.4 | 81% | 0.807 | 82% | 0.821 | S | S | * | * | trans | -70.5 | 90.5 | 176.6 | -94.7 | -65.7 | 0 | 0 | 0 | 111 | K20 | D18-K20 PolarHBondContact O-N 3.2Š| ||
| 19 | E | 50.9 | Low | 42.8 | Very low | 185 Ų | 185 | 166.8 Ų | 166.8 | 86% | 0.864 | 82% | 0.82 | S | S | * | * | trans | -76.5 | 92 | 165.7 | -165.8 | 176.4 | 113.7 | 0 | 0 | 109.5 | V17 V21 | V17-E19 PolarHBondContact O-N 2.71Å; E19-V21 PolarHBondContact O-N 2.7Å | ||
| 20 | K | 43.5 | Very low | 42.6 | Very low | 197 Ų | 197 | 162.7 Ų | 162.7 | 86% | 0.857 | 81% | 0.809 | S | S | * | * | trans | -63.3 | 120.8 | -173 | -172.4 | 173.9 | 179.2 | 179.8 | 0 | 112.3 | D18 E22 | D18-K20 PolarHBondContact O-N 3.2Å; K20-E22 PolarHBondContact O-N 2.89Å | ||
| 21 | V | 43 | Very low | 42.6 | Very low | 122 Ų | 122 | 160 Ų | 160 | 74% | 0.739 | 80% | 0.803 | S | S | * | * | trans | -65.5 | 124.1 | -178.1 | 174.5 | 0 | 0 | 0 | 0 | 112.7 | E19 R23 | E19-V21 PolarHBondContact O-N 2.7Å; V21-R23 HydrophobicContact CG1-CG 4.37Å | ||
| 22 | E | 38.5 | Very low | 42.4 | Very low | 162 Ų | 162 | 157 Ų | 157 | 76% | 0.757 | 79% | 0.793 | S | S | * | * | trans | -137 | 79.2 | 152.4 | -169.7 | 156.8 | -162 | 0 | 0 | 111.2 | K20 | K20-E22 PolarHBondContact O-N 2.89Š| ||
| 23 | R | 41.8 | Very low | 42.3 | Very low | 223 Ų | 223 | 154.9 Ų | 154.9 | 84% | 0.842 | 78% | 0.783 | S | S | * | * | trans | -88 | 101.2 | 172 | -69.4 | -174.6 | -174.3 | -177.7 | 4.1 | 110.4 | V21 P25 | V21-R23 HydrophobicContact CG1-CG 4.37Å; R23-P25 VanDerWaalsContact O-CD 3.24Å; R23-P25 WeakPolarHBondContact O-CD 3.09Å | ||
| 24 | H | 39.3 | Very low | 42.1 | Very low | 153 Ų | 153 | 153 Ų | 153 | 71% | 0.708 | 77% | 0.772 | S | S | * | * | trans | -67.8 | 118.8 | 165.7 | -84.5 | -59.7 | 0 | 0 | 0 | 111.5 | V26 | H24-V26 PolarHBondContact O-N 2.93Š| ||
| 25 | P | 44.5 | Very low | 42.2 | Very low | 123 Ų | 123 | 152.3 Ų | 152.3 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | trans | -104.5 | 61.4 | -178 | 38 | -26.8 | 0 | 0 | 0 | 111.4 | R23 | R23-P25 VanDerWaalsContact O-CD 3.24Å; R23-P25 WeakPolarHBondContact O-CD 3.09Å | ||
| 26 | V | 39.8 | Very low | 42.1 | Very low | 117 Ų | 117 | 153.1 Ų | 153.1 | 71% | 0.709 | 77% | 0.769 | S | S | * | * | trans | -104.5 | 139.2 | -176.8 | -165.1 | 0 | 0 | 0 | 0 | 110.6 | H24 | H24-V26 PolarHBondContact O-N 2.93Š| ||
| 27 | R | 39.2 | Very low | 41.9 | Very low | 233 Ų | 233 | 153.9 Ų | 153.9 | 88% | 0.879 | 77% | 0.77 | S | S | * | * | S | Bend | trans | 71.1 | 50.3 | -178.4 | -53.7 | -175.4 | 173.4 | 128.6 | -3.7 | 117.5 | ||
| 28 | K | 43.4 | Very low | 41.5 | Very low | 197 Ų | 197 | 149.3 Ų | 149.3 | 86% | 0.857 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -129.2 | 0.5 | 162 | -78.9 | -164.6 | 176.6 | -177 | 0 | 117.4 | ||
| 29 | Q | 42.3 | Very low | 41.3 | Very low | 185 Ų | 185 | 149.2 Ų | 149.2 | 86% | 0.864 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -96.2 | -18.1 | -176.9 | -80.1 | 174.4 | -31.9 | 0 | 0 | 115.8 | ||
| 30 | T | 39.9 | Very low | 40.7 | Very low | 107 Ų | 107 | 146.2 Ų | 146.2 | 66% | 0.656 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -90.8 | -7.3 | -167.8 | -22.2 | 0 | 0 | 0 | 0 | 116 | ||
| 31 | L | 44.4 | Very low | 40.8 | Very low | 146 Ų | 146 | 141.2 Ų | 141.2 | 76% | 0.764 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -96.7 | -25.8 | -177.4 | -71.7 | 174.3 | 0 | 0 | 0 | 114.7 | ||
| 32 | N | 40.5 | Very low | 40.7 | Very low | 132 Ų | 132 | 141.5 Ų | 141.5 | 71% | 0.706 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -82.9 | -8.9 | 179.3 | -78 | -11.5 | 0 | 0 | 0 | 114.3 | ||
| 33 | A | 39.9 | Very low | 40.8 | Very low | 64 Ų | 64 | 139.1 Ų | 139.1 | 53% | 0.529 | 71% | 0.708 | S | S | . | * | H | α-helix | trans | -86.6 | -41.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S35 K36 | A33-S35 VanDerWaalsContact C-N 3.34Å; A33-K36 PolarHBondContact O-N 2.93Å |
| 34 | L | 39.1 | Very low | 40.7 | Very low | 128 Ų | 128 | 132.4 Ų | 132.4 | 67% | 0.67 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -73.8 | -26.1 | -179.5 | -64.9 | 173.6 | 0 | 0 | 0 | 112.6 | K36 F37 | L34-K36 PolarHBondContact O-N 2.88Å; L34-K36 VanDerWaalsContact O-N 3.09Å; L34-F37 PolarHBondContact O-N 2.6Å |
| 35 | S | 41.3 | Very low | 40.7 | Very low | 102 Ų | 102 | 128.5 Ų | 128.5 | 71% | 0.713 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | -0.3 | 173.4 | -166.5 | 0 | 0 | 0 | 0 | 114.8 | A33 | A33-S35 VanDerWaalsContact C-N 3.34Š|
| 36 | K | 42.9 | Very low | 40.3 | Very low | 180 Ų | 180 | 127 Ų | 127 | 78% | 0.783 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.7 | 4.9 | -178.9 | -71.1 | -168.2 | 173 | -170.8 | 0 | 114.4 | A33 L34 S38 | A33-K36 PolarHBondContact O-N 2.93Å; L34-K36 PolarHBondContact O-N 2.88Å; L34-K36 VanDerWaalsContact O-N 3.09Å; K36-S38 PolarHBondContact O-N 3.24Å |
| 37 | F | 35.4 | Very low | 40.3 | Very low | 187 Ų | 187 | 130 Ų | 130 | 82% | 0.82 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -79.2 | 75.3 | 172 | -100 | -89.6 | 0 | 0 | 0 | 111.7 | L34 | L34-F37 PolarHBondContact O-N 2.6Š|
| 38 | S | 38.7 | Very low | 40.3 | Very low | 41 Ų | 41 | 128 Ų | 128 | 29% | 0.287 | 70% | 0.699 | S | S | . | * | trans | 36.5 | 93.2 | 155.6 | -159.7 | 0 | 0 | 0 | 0 | 118 | K36 D40 S41 | K36-S38 PolarHBondContact O-N 3.24Å; S38-D40 VanDerWaalsContact C-N 3.26Å; S38-S41 VanDerWaalsContact OG-CB 3.24Å; S38-S41 WeakPolarHBondContact OG-CB 3.47Å; S38-S41 PolarHBondContact OG-N 2.85Å; S38-S41 PolarHBondContact OG-OG 3.31Å | ||
| 39 | M | 38.9 | Very low | 40 | Very low | 149 Ų | 149 | 126.8 Ų | 126.8 | 73% | 0.734 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -72.5 | -25.5 | 155.2 | -76.1 | -175 | 64 | 0 | 0 | 111.5 | S41 I42 L43 | M39-S41 VanDerWaalsContact C-N 3.35Å; M39-S41 PolarHBondContact O-N 3.44Å; M39-I42 PolarHBondContact O-N 2.85Å; M39-L43 PolarHBondContact O-N 3.14Å |
| 40 | D | 39.3 | Very low | 39.7 | Very low | 123 Ų | 123 | 123.9 Ų | 123.9 | 66% | 0.658 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -66 | -36.1 | -175.4 | -49.3 | -76.6 | 0 | 0 | 0 | 112.1 | S38 I42 L43 A44 | S38-D40 VanDerWaalsContact C-N 3.26Å; D40-I42 PolarHBondContact O-N 3.01Å; D40-L43 PolarHBondContact O-N 3.08Å; D40-A44 PolarHBondContact O-N 3.38Å; D40-A44 VanDerWaalsContact O-N 3.13Å |
| 41 | S | 44.2 | Very low | 39.4 | Very low | 91 Ų | 91 | 127.5 Ų | 127.5 | 64% | 0.636 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -66.2 | -16 | 173 | -62 | 0 | 0 | 0 | 0 | 114.1 | S38 M39 | S38-S41 VanDerWaalsContact OG-CB 3.24Å; S38-S41 WeakPolarHBondContact OG-CB 3.47Å; S38-S41 PolarHBondContact OG-N 2.85Å; S38-S41 PolarHBondContact OG-OG 3.31Å; M39-S41 VanDerWaalsContact C-N 3.35Å; M39-S41 PolarHBondContact O-N 3.44Å |
| 42 | I | 42.2 | Very low | 38.7 | Very low | 128 Ų | 128 | 126.5 Ų | 126.5 | 66% | 0.656 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -94.1 | -30.7 | 177.7 | -58.7 | 177 | 0 | 0 | 0 | 110.5 | M39 D40 C46 | M39-I42 PolarHBondContact O-N 2.85Å; D40-I42 PolarHBondContact O-N 3.01Å; I42-C46 PolarHBondContact O-SG 3.4Å |
| 43 | L | 38.8 | Very low | 38.8 | Very low | 113 Ų | 113 | 126.5 Ų | 126.5 | 59% | 0.592 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -73.5 | -36.7 | 175.7 | -76.7 | 163.4 | 0 | 0 | 0 | 112.6 | M39 D40 G45 C46 | M39-L43 PolarHBondContact O-N 3.14Å; D40-L43 PolarHBondContact O-N 3.08Å; L43-G45 PolarHBondContact O-N 3.22Å; L43-G45 VanDerWaalsContact O-N 3.1Å; L43-C46 WeakPolarHBondContact O-CB 3.37Å; L43-C46 PolarHBondContact O-N 3.11Å |
| 44 | A | 41.6 | Very low | 38.4 | Very low | 82 Ų | 82 | 133.1 Ų | 133.1 | 68% | 0.678 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | -17 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | D40 | D40-A44 PolarHBondContact O-N 3.38Å; D40-A44 VanDerWaalsContact O-N 3.13Å |
| 45 | G | 37.8 | Very low | 38.2 | Very low | 71 Ų | 71 | 130 Ų | 130 | 73% | 0.732 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | 11.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | L43 | L43-G45 PolarHBondContact O-N 3.22Å; L43-G45 VanDerWaalsContact O-N 3.1Å |
| 46 | C | 36.2 | Very low | 37.9 | Very low | 92 Ų | 92 | 134.4 Ų | 134.4 | 62% | 0.622 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -113.9 | -2.2 | -166.9 | -70.6 | 0 | 0 | 0 | 0 | 116.5 | I42 L43 | I42-C46 PolarHBondContact O-SG 3.4Å; L43-C46 WeakPolarHBondContact O-CB 3.37Å; L43-C46 PolarHBondContact O-N 3.11Å |
| 47 | E | 40 | Very low | 37.6 | Very low | 179 Ų | 179 | 131.7 Ų | 131.7 | 84% | 0.836 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -94.9 | -14 | -172.7 | -69.3 | -170.2 | 106.1 | 0 | 0 | 115.5 | L49 | E47-L49 PolarHBondContact O-N 3.46Š|
| 48 | E | 40.2 | Very low | 37.6 | Very low | 191 Ų | 191 | 131.6 Ų | 131.6 | 89% | 0.893 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -92.1 | 11.3 | -167.5 | -143.7 | -176.5 | 158.2 | 0 | 0 | 116 | ||
| 49 | L | 36.7 | Very low | 37.8 | Very low | 172 Ų | 172 | 137.8 Ų | 137.8 | 90% | 0.901 | 78% | 0.775 | S | S | * | * | trans | -130.9 | 54.5 | 179.8 | -77.4 | 176 | 0 | 0 | 0 | 113.6 | E47 | E47-L49 PolarHBondContact O-N 3.46Š| ||
| 50 | V | 35.1 | Very low | 37.9 | Very low | 124 Ų | 124 | 134.4 Ų | 134.4 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | trans | -128.3 | 81.1 | 166.8 | -173.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 51 | Q | 33.8 | Very low | 38.1 | Very low | 182 Ų | 182 | 138.7 Ų | 138.7 | 85% | 0.85 | 78% | 0.784 | S | S | * | * | trans | -159.7 | 103.7 | 160.7 | -160.2 | 71.3 | -22.6 | 0 | 0 | 112.1 | ||||
| 52 | C | 30.1 | Very low | 37.6 | Very low | 126 Ų | 126 | 138.1 Ų | 138.1 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | trans | -153.1 | 146.1 | 160.6 | -96.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 53 | P | 42.2 | Very low | 37.6 | Very low | 132 Ų | 132 | 139 Ų | 139 | 86% | 0.857 | 80% | 0.803 | S | S | * | * | trans | -79.5 | 167.2 | -165.3 | 32.3 | -36.9 | 0 | 0 | 0 | 114.3 | ||||
| 54 | H | 32.2 | Very low | 37.7 | Very low | 203 Ų | 203 | 142.2 Ų | 142.2 | 94% | 0.94 | 81% | 0.812 | S | S | * | * | trans | -114.4 | 139.8 | -177.1 | -146.7 | -83.5 | 0 | 0 | 0 | 110.1 | ||||
| 55 | G | 34.5 | Very low | 37.5 | Very low | 63 Ų | 63 | 146.8 Ų | 146.8 | 65% | 0.649 | 82% | 0.82 | S | S | * | * | trans | 104.1 | 151.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 56 | E | 35.5 | Very low | 37.7 | Very low | 193 Ų | 193 | 153.3 Ų | 153.3 | 90% | 0.902 | 83% | 0.828 | S | S | * | * | cis | -141.4 | -179.9 | -0.8 | -66.5 | -166.4 | 119.3 | 0 | 0 | 112.2 | ||||
| 57 | T | 36.2 | Very low | 37.7 | Very low | 123 Ų | 123 | 156.8 Ų | 156.8 | 76% | 0.755 | 84% | 0.835 | S | S | * | * | trans | -41.3 | 145.1 | -170.4 | 47.7 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 58 | E | 35.9 | Very low | 37.6 | Very low | 186 Ų | 186 | 155.6 Ų | 155.6 | 87% | 0.869 | 83% | 0.833 | S | S | * | * | trans | 36.4 | 112.5 | 130.3 | -51.5 | -97.5 | 101.1 | 0 | 0 | 119 | ||||
| 59 | D | 41.8 | Very low | 37.3 | Very low | 170 Ų | 170 | 151.8 Ų | 151.8 | 91% | 0.909 | 82% | 0.822 | S | S | * | * | -165.2 | 162.6 | 112.3 | -139 | -35.3 | 0 | 0 | 0 | 112.2 | |||||
| 60 | A | 42.6 | Very low | 37.6 | Very low | 79 Ų | 79 | 150.9 Ų | 150.9 | 65% | 0.653 | 82% | 0.817 | S | S | * | * | trans | -111.4 | 112.9 | -167.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 61 | K | 43.3 | Very low | 37.8 | Very low | 213 Ų | 213 | 150.3 Ų | 150.3 | 93% | 0.926 | 81% | 0.813 | S | S | * | * | trans | -162 | 139.8 | 148.3 | -99 | 131.3 | -168.6 | 169 | 0 | 111.3 | ||||
| 62 | G | 33.4 | Very low | 38.2 | Very low | 79 Ų | 79 | 147.9 Ų | 147.9 | 81% | 0.814 | 81% | 0.811 | S | S | * | * | trans | -91.2 | 145.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 63 | V | 42.3 | Very low | 39.1 | Very low | 146 Ų | 146 | 149.6 Ų | 149.6 | 89% | 0.885 | 81% | 0.807 | S | S | * | * | trans | -131 | 145.2 | 170 | 179.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 64 | K | 40 | Very low | 39 | Very low | 181 Ų | 181 | 148.2 Ų | 148.2 | 79% | 0.787 | 80% | 0.798 | S | S | * | * | trans | -94.8 | 154.7 | 180 | -72.7 | -177.8 | 178.3 | 177.6 | 0 | 112.1 | ||||
| 65 | Q | 38.9 | Very low | 39.1 | Very low | 177 Ų | 177 | 144.9 Ų | 144.9 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | trans | 61.6 | 129.4 | 155.3 | -70.9 | 165.2 | -60.3 | 0 | 0 | 118.6 | ||||
| 66 | K | 42 | Very low | 39.4 | Very low | 208 Ų | 208 | 148.5 Ų | 148.5 | 90% | 0.904 | 81% | 0.805 | S | S | * | * | -150.2 | 148.7 | 104.6 | -108.4 | 163.2 | -173.6 | 175.6 | 0 | 111.9 | |||||
| 67 | Q | 35.5 | Very low | 39.6 | Very low | 165 Ų | 165 | 142.6 Ų | 142.6 | 77% | 0.771 | 80% | 0.797 | S | S | * | * | trans | -75.6 | 141.5 | 176.9 | -169.2 | 90 | 6.4 | 0 | 0 | 109.3 | V69 | Q67-V69 HydrophobicContact CG-CG2 4.04Š| ||
| 68 | I | 37.7 | Very low | 39.9 | Very low | 155 Ų | 155 | 142.4 Ų | 142.4 | 80% | 0.795 | 80% | 0.8 | S | S | * | * | trans | -119.3 | 128.7 | 156.1 | -65.6 | -179.5 | 0 | 0 | 0 | 107.2 | I70 | I68-I70 HydrophobicContact CG2-CG1 4.41Š| ||
| 69 | V | 34.5 | Very low | 40.4 | Very low | 110 Ų | 110 | 137.9 Ų | 137.9 | 67% | 0.667 | 79% | 0.789 | S | S | * | * | trans | -100.5 | 135.9 | 175.7 | 174 | 0 | 0 | 0 | 0 | 107.7 | Q67 | Q67-V69 HydrophobicContact CG-CG2 4.04Š| ||
| 70 | I | 41.6 | Very low | 40.6 | Very low | 154 Ų | 154 | 139.2 Ų | 139.2 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | trans | -126.9 | 126.7 | 165 | -61.3 | -178.6 | 0 | 0 | 0 | 107.4 | I68 | I68-I70 HydrophobicContact CG2-CG1 4.41Š| ||
| 71 | T | 40.6 | Very low | 40.4 | Very low | 111 Ų | 111 | 138.8 Ų | 138.8 | 68% | 0.681 | 79% | 0.794 | S | S | * | * | trans | -74.8 | 148 | -173.2 | -45.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 72 | T | 40.6 | Very low | 40.5 | Very low | 131 Ų | 131 | 133.9 Ų | 133.9 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | -112.8 | 119.3 | 168.8 | 53.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 73 | E | 50.9 | Low | 40.8 | Very low | 163 Ų | 163 | 136.7 Ų | 136.7 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | trans | -78.4 | 148.5 | 172.2 | -67.1 | -57.2 | 141 | 0 | 0 | 111.7 | ||||
| 74 | P | 38.1 | Very low | 41.3 | Very low | 102 Ų | 102 | 135.6 Ų | 135.6 | 66% | 0.662 | 79% | 0.787 | S | S | * | * | trans | -89.2 | 163.7 | -173.9 | 36 | -36.2 | 0 | 0 | 0 | 113.8 | ||||
| 75 | C | 35.4 | Very low | 41.1 | Very low | 134 Ų | 134 | 132.7 Ų | 132.7 | 91% | 0.905 | 79% | 0.788 | S | S | * | * | trans | -131.9 | 148.5 | 166.2 | -76.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 76 | T | 40.4 | Very low | 41.1 | Very low | 138 Ų | 138 | 130.6 Ų | 130.6 | 85% | 0.847 | 79% | 0.791 | S | S | * | * | trans | -131.1 | 145.4 | -160.6 | 46.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 77 | G | 40.6 | Very low | 41 | Very low | 70 Ų | 70 | 126.1 Ų | 126.1 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | trans | 77.7 | 165.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 78 | S | 42.2 | Very low | 41.3 | Very low | 118 Ų | 118 | 124.2 Ų | 124.2 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | cis | -172 | 155.8 | -12.1 | -94.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 79 | S | 45.8 | Very low | 41.5 | Very low | 92 Ų | 92 | 124.5 Ų | 124.5 | 64% | 0.643 | 79% | 0.79 | S | S | * | * | cis | -170.8 | 166 | -23.4 | 58.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 80 | Q | 46.6 | Very low | 42 | Very low | 197 Ų | 197 | 124.6 Ų | 124.6 | 92% | 0.921 | 79% | 0.791 | S | S | * | * | trans | 69.5 | 152.4 | 169.8 | -53.5 | 179.5 | 12.7 | 0 | 0 | 117.7 | ||||
| 81 | G | 38.3 | Very low | 42.2 | Very low | 71 Ų | 71 | 126 Ų | 126 | 73% | 0.732 | 79% | 0.791 | S | S | * | * | trans | 160.2 | 12.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 82 | S | 44.3 | Very low | 42.3 | Very low | 110 Ų | 110 | 130.3 Ų | 130.3 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | trans | 42.8 | 104.5 | 160.1 | 59.6 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 83 | T | 40.5 | Very low | 42.6 | Very low | 137 Ų | 137 | 129.7 Ų | 129.7 | 84% | 0.84 | 80% | 0.802 | S | S | * | * | trans | 2.4 | 135.4 | 134.7 | 51.3 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 84 | S | 53.7 | Low | 42.4 | Very low | 124 Ų | 124 | 126.6 Ų | 126.6 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | -165.4 | 168.9 | 100.4 | 51.6 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 85 | C | 34.2 | Very low | 42.4 | Very low | 120 Ų | 120 | 128.7 Ų | 128.7 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | trans | -118 | 156.2 | -166.2 | 52.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 86 | C | 39.3 | Very low | 43.2 | Very low | 133 Ų | 133 | 127.6 Ų | 127.6 | 90% | 0.899 | 80% | 0.8 | S | S | * | * | trans | -167 | 148.2 | 144.5 | -111.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 87 | S | 41.3 | Very low | 43.2 | Very low | 114 Ų | 114 | 129.4 Ų | 129.4 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | trans | -93 | 156.2 | -177.8 | -61.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 88 | P | 41.3 | Very low | 43.2 | Very low | 124 Ų | 124 | 131.4 Ų | 131.4 | 81% | 0.805 | 81% | 0.807 | S | S | * | * | trans | -85.8 | 144.2 | -170 | 33.3 | -35.8 | 0 | 0 | 0 | 114.2 | ||||
| 89 | L | 41.7 | Very low | 43 | Very low | 162 Ų | 162 | 132.5 Ų | 132.5 | 85% | 0.848 | 81% | 0.812 | S | S | * | * | trans | -139.5 | 132.4 | 170.1 | -83.1 | 176.3 | 0 | 0 | 0 | 114.2 | ||||
| 90 | T | 44.2 | Very low | 42.8 | Very low | 111 Ų | 111 | 133.5 Ų | 133.5 | 68% | 0.681 | 82% | 0.82 | S | S | * | * | trans | 72.6 | 104.3 | 154 | 56.6 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 91 | K | 45.3 | Very low | 42.2 | Very low | 184 Ų | 184 | 132.4 Ų | 132.4 | 80% | 0.8 | 81% | 0.812 | S | S | * | * | 60.3 | 97.9 | 119.3 | -61.7 | 171.8 | -179.7 | 175.6 | 0 | 120 | |||||
| 92 | K | 43.9 | Very low | 42.4 | Very low | 201 Ų | 201 | 133.3 Ų | 133.3 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | 160.6 | 121.9 | 106.8 | -87.9 | 163 | -179.9 | 178.6 | 0 | 115.1 | |||||
| 93 | S | 46.5 | Very low | 42.1 | Very low | 118 Ų | 118 | 134.2 Ų | 134.2 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | trans | 65.2 | 163.4 | 145.7 | -123.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 94 | P | 46.2 | Very low | 42.2 | Very low | 99 Ų | 99 | 135 Ų | 135 | 64% | 0.643 | 81% | 0.807 | S | S | * | * | -131.6 | 161.3 | -79.8 | 40.4 | -26.4 | 0 | 0 | 0 | 114.8 | |||||
| 95 | V | 39.4 | Very low | 41.9 | Very low | 146 Ų | 146 | 134.1 Ų | 134.1 | 89% | 0.885 | 80% | 0.8 | S | S | * | * | trans | 43.2 | 104.4 | 160.7 | -63.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 96 | S | 51.5 | Low | 42.6 | Very low | 111 Ų | 111 | 134.5 Ų | 134.5 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | -129.9 | 133.6 | 152.8 | 55.1 | 0 | 0 | 0 | 0 | 109.8 | C98 | S96-C98 PolarHBondContact O-N 3.13Š| ||
| 97 | D | 40.8 | Very low | 42.8 | Very low | 175 Ų | 175 | 134.7 Ų | 134.7 | 94% | 0.936 | 80% | 0.798 | S | S | * | * | trans | -74.1 | 110 | -177.4 | -73 | -64 | 0 | 0 | 0 | 111.4 | ||||
| 98 | C | 40.9 | Very low | 42.6 | Very low | 113 Ų | 113 | 134.5 Ų | 134.5 | 76% | 0.764 | 80% | 0.796 | S | S | * | * | trans | -137.1 | 92.3 | 173.1 | -106.7 | 0 | 0 | 0 | 0 | 110 | S96 | S96-C98 PolarHBondContact O-N 3.13Š| ||
| 99 | C | 36.8 | Very low | 42.5 | Very low | 140 Ų | 140 | 133.8 Ų | 133.8 | 95% | 0.946 | 80% | 0.795 | S | S | * | * | trans | -131.7 | 52.2 | 172.3 | -82.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 100 | S | 41.5 | Very low | 42.4 | Very low | 114 Ų | 114 | 131.5 Ų | 131.5 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | trans | -89.5 | 122.7 | 167.4 | -69.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 101 | F | 35.3 | Very low | 42.3 | Very low | 174 Ų | 174 | 134.4 Ų | 134.4 | 76% | 0.763 | 80% | 0.798 | S | S | * | * | trans | 40.7 | 103.9 | 148.7 | -162.3 | -91.1 | 0 | 0 | 0 | 118.7 | D103 | F101-D103 WeakPolarHBondContact CE1-OD2 2.98Å; F101-D103 WeakPolarHBondContact CZ-OD2 3.49Å | ||
| 102 | A | 42.7 | Very low | 41.9 | Very low | 89 Ų | 89 | 132.5 Ų | 132.5 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | trans | -141.1 | 124.5 | 152.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 103 | D | 36.5 | Very low | 41.7 | Very low | 129 Ų | 129 | 129 Ų | 129 | 69% | 0.69 | 79% | 0.787 | S | S | * | * | trans | -69.1 | 136.7 | 171.7 | -72.6 | -63.8 | 0 | 0 | 0 | 110.5 | F101 | F101-D103 WeakPolarHBondContact CE1-OD2 2.98Å; F101-D103 WeakPolarHBondContact CZ-OD2 3.49Å | ||
| 104 | I | 44.1 | Very low | 41.6 | Very low | 155 Ų | 155 | 132.6 Ų | 132.6 | 80% | 0.795 | 78% | 0.783 | S | S | * | * | trans | -122.7 | 94.4 | 169.6 | -58 | -179.1 | 0 | 0 | 0 | 108.3 | ||||
| 105 | S | 46.1 | Very low | 41.1 | Very low | 105 Ų | 105 | 137.4 Ų | 137.4 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | trans | -65.8 | 124.6 | 162.8 | -65.4 | 0 | 0 | 0 | 0 | 109.2 | V107 | S105-V107 PolarHBondContact O-N 3.48Å; S105-V107 VanDerWaalsContact O-N 3.08Å | ||
| 106 | P | 49.9 | Very low | 41 | Very low | 127 Ų | 127 | 135.2 Ų | 135.2 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | trans | -76.3 | 99.4 | 177.7 | 30.2 | -33 | 0 | 0 | 0 | 110.1 | ||||
| 107 | V | 42.1 | Very low | 40.4 | Very low | 138 Ų | 138 | 133 Ų | 133 | 84% | 0.836 | 78% | 0.778 | S | S | * | * | trans | -76.7 | 143.9 | 167.3 | 68.1 | 0 | 0 | 0 | 0 | 110.2 | S105 S109 | S105-V107 PolarHBondContact O-N 3.48Å; S105-V107 VanDerWaalsContact O-N 3.08Å; V107-S109 PolarHBondContact O-N 2.9Å | ||
| 108 | S | 38.2 | Very low | 40.9 | Very low | 109 Ų | 109 | 132.4 Ų | 132.4 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | trans | -64.5 | 127.2 | -175.1 | 175.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 109 | S | 40 | Very low | 41.1 | Very low | 110 Ų | 110 | 134.4 Ų | 134.4 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | trans | -146.5 | 143.5 | 145.9 | -167.4 | 0 | 0 | 0 | 0 | 110 | V107 | V107-S109 PolarHBondContact O-N 2.9Š| ||
| 110 | S | 38.4 | Very low | 41.7 | Very low | 113 Ų | 113 | 134.1 Ų | 134.1 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | trans | -106.2 | 89.1 | -169.3 | -61.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 111 | E | 42.7 | Very low | 42 | Very low | 172 Ų | 172 | 135.7 Ų | 135.7 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | trans | -121.2 | 109.7 | 170.1 | -67.2 | -159.6 | 121.3 | 0 | 0 | 111.9 | T113 | E111-T113 VanDerWaalsContact C-N 3.31Å; E111-T113 PolarHBondContact O-N 2.84Å | ||
| 112 | E | 37.2 | Very low | 42.7 | Very low | 144 Ų | 144 | 134.6 Ų | 134.6 | 67% | 0.673 | 76% | 0.76 | S | S | * | * | trans | -82.2 | 69.3 | -175.3 | -168.3 | -175.9 | 96.3 | 0 | 0 | 111 | R114 | E112-R114 VanDerWaalsContact C-N 3.25Å; E112-R114 HydrophobicContact CG-CG 4.15Å; E112-R114 PolarHBondContact O-N 3.07Å; E112-R114 IonicContact OE1-CZ 3.92Å; E112-R114 IonicContact OE1-NE 2.88Å; E112-R114 PolarHBondContact OE1-NE 3.03Å; E112-R114 IonicContact OE1-NH2 3.9Å; E112-R114 PolarHBondContact OE1-NH2 3.02Å | ||
| 113 | T | 39.1 | Very low | 43.2 | Very low | 127 Ų | 127 | 139.5 Ų | 139.5 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | trans | -72.1 | 80.6 | 177.8 | -53.4 | 0 | 0 | 0 | 0 | 111.1 | E111 F115 | E111-T113 VanDerWaalsContact C-N 3.31Å; E111-T113 PolarHBondContact O-N 2.84Å; T113-F115 PolarHBondContact O-N 3.13Å | ||
| 114 | R | 43.8 | Very low | 43.8 | Very low | 194 Ų | 194 | 139 Ų | 139 | 73% | 0.732 | 78% | 0.775 | S | S | * | * | trans | -62.9 | 101.5 | 172.1 | -54.7 | 179.3 | -160.5 | 140.7 | 8.7 | 109.4 | E112 C116 | E112-R114 VanDerWaalsContact C-N 3.25Å; E112-R114 HydrophobicContact CG-CG 4.15Å; E112-R114 PolarHBondContact O-N 3.07Å; E112-R114 IonicContact OE1-CZ 3.92Å; E112-R114 IonicContact OE1-NE 2.88Å; E112-R114 PolarHBondContact OE1-NE 3.03Å; E112-R114 IonicContact OE1-NH2 3.9Å; E112-R114 PolarHBondContact OE1-NH2 3.02Å; R114-C116 PolarHBondContact O-N 2.87Å | ||
| 115 | F | 36.9 | Very low | 44.2 | Very low | 201 Ų | 201 | 135.9 Ų | 135.9 | 88% | 0.882 | 77% | 0.772 | S | S | * | * | trans | -74.3 | 70.7 | 166.2 | -166.9 | -98.3 | 0 | 0 | 0 | 110.1 | T113 | T113-F115 PolarHBondContact O-N 3.13Š| ||
| 116 | C | 36 | Very low | 44.3 | Very low | 100 Ų | 100 | 140.3 Ų | 140.3 | 68% | 0.676 | 78% | 0.781 | S | S | * | * | trans | -89.7 | 110.2 | 171.9 | -162.7 | 0 | 0 | 0 | 0 | 107.9 | R114 I118 | R114-C116 PolarHBondContact O-N 2.87Å; C116-I118 PolarHBondContact O-N 3.42Å | ||
| 117 | G | 39.2 | Very low | 44.6 | Very low | 64 Ų | 64 | 137.5 Ų | 137.5 | 66% | 0.66 | 78% | 0.775 | S | S | * | * | trans | -66.7 | 102.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 118 | I | 51.1 | Low | 45.3 | Very low | 162 Ų | 162 | 138.1 Ų | 138.1 | 83% | 0.831 | 77% | 0.769 | S | S | * | * | trans | -67.8 | 139.5 | 174 | -64.2 | 179.1 | 0 | 0 | 0 | 108.8 | C116 | C116-I118 PolarHBondContact O-N 3.42Š| ||
| 119 | K | 44.7 | Very low | 46.3 | Very low | 155 Ų | 155 | 138.6 Ų | 138.6 | 67% | 0.674 | 76% | 0.763 | S | S | * | * | trans | -69.4 | 149.5 | -176.5 | -49 | 174.1 | -177.7 | 172.5 | 0 | 111.7 | E121 | K119-E121 HydrophobicContact CB-CG 3.97Å; K119-E121 HydrophobicContact CD-CG 3.8Å; K119-E121 WeakPolarHBondContact CD-OE1 3.49Å; K119-E121 WeakPolarHBondContact CE-OE1 3.41Å; K119-E121 IonicContact NZ-OE1 3.81Å; K119-E121 PolarHBondContact NZ-OE1 2.95Å | ||
| 120 | T | 50.6 | Low | 47.7 | Very low | 134 Ų | 134 | 139.6 Ų | 139.6 | 82% | 0.822 | 75% | 0.753 | S | S | * | * | trans | -104.5 | 124.2 | 144.5 | 47.3 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 121 | E | 47.7 | Very low | 48.9 | Very low | 147 Ų | 147 | 139.9 Ų | 139.9 | 69% | 0.687 | 75% | 0.753 | S | S | * | * | trans | -107.4 | 94.6 | 179.2 | -63.5 | -174.3 | 150.7 | 0 | 0 | 108.5 | K119 | K119-E121 HydrophobicContact CB-CG 3.97Å; K119-E121 HydrophobicContact CD-CG 3.8Å; K119-E121 WeakPolarHBondContact CD-OE1 3.49Å; K119-E121 WeakPolarHBondContact CE-OE1 3.41Å; K119-E121 IonicContact NZ-OE1 3.81Å; K119-E121 PolarHBondContact NZ-OE1 2.95Å | ||
| 122 | D | 49.5 | Very low | 49.9 | Very low | 152 Ų | 152 | 140.8 Ų | 140.8 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | trans | -133.8 | 138.2 | 175.4 | -78.9 | -67.2 | 0 | 0 | 0 | 109 | ||||
| 123 | E | 54 | Low | 50.9 | Low | 191 Ų | 191 | 143.7 Ų | 143.7 | 89% | 0.893 | 76% | 0.759 | S | S | * | * | trans | -86.5 | 134.4 | -172.5 | -60 | -161.3 | 111.9 | 0 | 0 | 113.4 | ||||
| 124 | S | 48.7 | Very low | 52.5 | Low | 119 Ų | 119 | 144.4 Ų | 144.4 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | trans | 172.8 | 143.3 | 132.5 | -81.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 125 | A | 52.7 | Low | 53.1 | Low | 89 Ų | 89 | 146.4 Ų | 146.4 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | trans | 56.8 | 97.5 | 152.2 | 0 | 0 | 0 | 0 | 0 | 120.3 | G127 | A125-G127 PolarHBondContact O-N 2.95Š| ||
| 126 | E | 48.9 | Very low | 54.3 | Low | 199 Ų | 199 | 141.6 Ų | 141.6 | 93% | 0.93 | 75% | 0.747 | S | S | * | * | 32.1 | 74.3 | 128 | -60 | -57.6 | 121.6 | 0 | 0 | 117.7 | |||||
| 127 | G | 55.3 | Low | 55.4 | Low | 68 Ų | 68 | 140 Ų | 140 | 70% | 0.701 | 74% | 0.737 | S | S | * | * | trans | -110.9 | 121.6 | 177 | 0 | 0 | 0 | 0 | 0 | 113.8 | A125 D129 | A125-G127 PolarHBondContact O-N 2.95Å; G127-D129 PolarHBondContact O-N 3.36Å | ||
| 128 | E | 57.5 | Low | 56.8 | Low | 151 Ų | 151 | 147.9 Ų | 147.9 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | trans | -69.9 | 80.9 | -174.1 | -163.9 | -147.4 | 135.2 | 0 | 0 | 114 | K130 | E128-K130 PolarHBondContact O-N 2.82Å; E128-K130 WeakPolarHBondContact OE1-CE 3.48Å; E128-K130 WeakPolarHBondContact OE1-CG 3.44Å; E128-K130 IonicContact OE1-NZ 2.7Å; E128-K130 PolarHBondContact OE1-NZ 3.39Å; E128-K130 IonicContact OE2-NZ 2.71Å; E128-K130 PolarHBondContact OE2-NZ 3.26Å | ||
| 129 | D | 58.4 | Low | 58 | Low | 119 Ų | 119 | 142.6 Ų | 142.6 | 64% | 0.636 | 72% | 0.722 | S | S | * | * | trans | -74.2 | 86.2 | -176.5 | -159.6 | 8 | 0 | 0 | 0 | 112.9 | G127 R132 | G127-D129 PolarHBondContact O-N 3.36Å; D129-R132 IonicContact OD1-CZ 2.81Å; D129-R132 IonicContact OD1-NH1 3.77Å; D129-R132 PolarHBondContact OD1-NH1 3.48Å; D129-R132 IonicContact OD2-NH1 3.69Å | ||
| 130 | K | 68.7 | Low | 59.8 | Low | 130 Ų | 130 | 141.3 Ų | 141.3 | 57% | 0.565 | 73% | 0.727 | S | S | * | * | trans | -60.4 | 122.1 | 177.3 | -66.3 | 170.1 | 179.4 | 63.1 | 0 | 110.4 | E128 R132 | E128-K130 PolarHBondContact O-N 2.82Å; E128-K130 WeakPolarHBondContact OE1-CE 3.48Å; E128-K130 WeakPolarHBondContact OE1-CG 3.44Å; E128-K130 IonicContact OE1-NZ 2.7Å; E128-K130 PolarHBondContact OE1-NZ 3.39Å; E128-K130 IonicContact OE2-NZ 2.71Å; E128-K130 PolarHBondContact OE2-NZ 3.26Å; K130-R132 PolarHBondContact O-N 3.09Å | ||
| 131 | P | 65.3 | Low | 61.4 | Low | 119 Ų | 119 | 137.2 Ų | 137.2 | 77% | 0.773 | 70% | 0.698 | S | S | * | * | trans | -61.8 | 112.9 | -169.9 | 21.8 | -33.3 | 0 | 0 | 0 | 112.5 | K133 | P131-K133 PolarHBondContact O-N 3.38Š| ||
| 132 | R | 63.4 | Low | 63.5 | Low | 191 Ų | 191 | 133.7 Ų | 133.7 | 72% | 0.721 | 69% | 0.687 | S | S | * | * | trans | -60.3 | 110.7 | 178.7 | -71.5 | -176.8 | -78 | -72.2 | 2.3 | 109.7 | D129 K130 V134 | D129-R132 IonicContact OD1-CZ 2.81Å; D129-R132 IonicContact OD1-NH1 3.77Å; D129-R132 PolarHBondContact OD1-NH1 3.48Å; D129-R132 IonicContact OD2-NH1 3.69Å; K130-R132 PolarHBondContact O-N 3.09Å; R132-V134 PolarHBondContact O-N 3.13Å | ||
| 133 | K | 58.6 | Low | 65.5 | Low | 205 Ų | 205 | 131.2 Ų | 131.2 | 89% | 0.891 | 68% | 0.677 | S | S | * | * | trans | -58.1 | 103.1 | -172.2 | -76 | 156.8 | -179.5 | 164.1 | 0 | 111.4 | P131 R135 | P131-K133 PolarHBondContact O-N 3.38Å; K133-R135 PolarHBondContact O-N 2.81Å | ||
| 134 | V | 71.7 | Confident | 67.4 | Low | 143 Ų | 143 | 128.6 Ų | 128.6 | 87% | 0.867 | 66% | 0.66 | S | S | * | * | trans | -60.7 | 103.9 | -177.9 | 179.6 | 0 | 0 | 0 | 0 | 110.1 | R132 R136 | R132-V134 PolarHBondContact O-N 3.13Å; V134-R136 PolarHBondContact O-N 3.11Å | ||
| 135 | R | 55.7 | Low | 69.5 | Low | 236 Ų | 236 | 124 Ų | 124 | 89% | 0.891 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 123.8 | 172.4 | 178.9 | 176.8 | 168.7 | 128.8 | -2.9 | 108.6 | K133 | K133-R135 PolarHBondContact O-N 2.81Š|
| 136 | R | 62.3 | Low | 71.4 | Confident | 100 Ų | 100 | 123 Ų | 123 | 38% | 0.377 | 61% | 0.607 | S | S | . | * | P | Polyproline II helix | trans | -55.9 | 137.8 | -173.9 | -171.3 | 168.3 | -59.4 | 118.3 | 13 | 113.1 | V134 R138 R177 V178 Q179 | V134-R136 PolarHBondContact O-N 3.11Å; R136-R138 PolarHBondContact O-N 3.39Å; R136-R177 WeakPolarHBondContact CD-O 3.36Å; R136-V178 WeakPolarHBondContact CD-O 3.41Å; R136-V178 VanDerWaalsContact CZ-O 3.27Å; R136-V178 VanDerWaalsContact NE-CG1 3.32Å; R136-V178 PolarHBondContact NE-O 2.85Å; R136-V178 VanDerWaalsContact NE-O 3.16Å; R136-V178 PolarHBondContact NH1-O 3.4Å; R136-Q179 PolarHBondContact NH1-O 2.92Å |
| 137 | S | 60 | Low | 73.6 | Confident | 67 Ų | 67 | 119.2 Ų | 119.2 | 47% | 0.469 | 59% | 0.589 | S | S | . | * | P | Polyproline II helix | trans | -53.7 | 127.1 | 173.1 | -35.7 | 0 | 0 | 0 | 0 | 110.6 | ||
| 138 | R | 68.9 | Low | 75.4 | Confident | 229 Ų | 229 | 118.2 Ų | 118.2 | 86% | 0.864 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 136.7 | 172 | -177.5 | 179.3 | -175.1 | 161.3 | 3 | 109.2 | R136 T140 | R136-R138 PolarHBondContact O-N 3.39Å; R138-T140 PolarHBondContact O-N 3.48Å |
| 139 | T | 75.9 | Confident | 77.2 | Confident | 51 Ų | 51 | 111 Ų | 111 | 31% | 0.313 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 122.5 | 173 | 51.9 | 0 | 0 | 0 | 0 | 110.8 | L212 | T139-L212 HydrophobicContact CG2-CD1 4Å; T139-L212 HydrophobicContact CG2-CD2 3.8Å |
| 140 | T | 81.2 | Confident | 78.9 | Confident | 127 Ų | 127 | 107.2 Ų | 107.2 | 78% | 0.779 | 51% | 0.511 | S | S | * | . | P | Polyproline II helix | trans | -101.8 | 125.5 | 174.9 | 48.4 | 0 | 0 | 0 | 0 | 109.6 | R138 | R138-T140 PolarHBondContact O-N 3.48Š|
| 141 | F | 85.1 | Confident | 80.2 | Confident | 48 Ų | 48 | 108.2 Ų | 108.2 | 21% | 0.211 | 51% | 0.511 | C | S | . | . | P | Polyproline II helix | trans | -84.5 | 143.3 | 172.2 | -61.9 | -95.5 | 0 | 0 | 0 | 109.3 | Q145 L146 L149 L173 W216 | F141-Q145 HydrophobicContact CB-CB 4.36Å; F141-L146 HydrophobicContact CB-CD1 4.43Å; F141-L146 HydrophobicContact CB-CD2 3.68Å; F141-L146 HydrophobicContact CB-CG 3.72Å; F141-L146 HydrophobicContact CD2-CD2 4.42Å; F141-L146 HydrophobicContact CG-CD2 4.11Å; F141-L149 HydrophobicContact CD1-CD1 3.67Å; F141-L149 HydrophobicContact CE1-CD1 3.78Å; F141-L173 HydrophobicContact CD1-CD1 4.17Å; F141-L173 HydrophobicContact CD1-CD2 3.55Å; F141-L173 HydrophobicContact CE1-CD1 3.94Å; F141-L173 HydrophobicContact CE1-CD2 3.75Å; F141-W216 AromaticContact CE2-CD1 3.83Å; F141-W216 HydrophobicContact CZ-CB 4.1Å; F141-W216 AromaticContact CZ-CD1 3.86Å; F141-W216 HydrophobicContact CZ-CG 4.33Å |
| 142 | T | 90.9 | Very high | 81.5 | Confident | 74 Ų | 74 | 103 Ų | 103 | 45% | 0.454 | 48% | 0.478 | S | S | . | . | P | Polyproline II helix | trans | -71.9 | 160 | 170.9 | 71.4 | 0 | 0 | 0 | 0 | 110.9 | Y144 Q145 L146 | T142-Y144 VanDerWaalsContact C-N 3.25Å; T142-Y144 PolarHBondContact O-N 3.14Å; T142-Q145 PolarHBondContact O-N 3.39Å; T142-Q145 VanDerWaalsContact O-N 3.1Å; T142-Q145 VanDerWaalsContact OG1-CG 3.3Å; T142-Q145 WeakPolarHBondContact OG1-CG 3.39Å; T142-Q145 PolarHBondContact OG1-N 2.95Å; T142-Q145 PolarHBondContact OG1-OE1 2.71Å; T142-L146 WeakPolarHBondContact O-CG 3.48Å; T142-L146 PolarHBondContact O-N 3.19Å |
| 143 | T | 92.7 | Very high | 83 | Confident | 99 Ų | 99 | 94.4 Ų | 94.4 | 61% | 0.607 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -56 | -40.9 | 176.3 | -46.2 | 0 | 0 | 0 | 0 | 111.8 | L146 H147 | T143-L146 PolarHBondContact O-N 3.46Å; T143-H147 PolarHBondContact O-CD2 2.85Å; T143-H147 VanDerWaalsContact O-CD2 3.29Å; T143-H147 VanDerWaalsContact O-CG 3.31Å; T143-H147 PolarHBondContact O-N 2.69Å |
| 144 | Y | 93.3 | Very high | 84.8 | Confident | 136 Ų | 136 | 91.5 Ų | 91.5 | 53% | 0.533 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -59.4 | -50.3 | 173.3 | 176.7 | -91.5 | 0 | 0 | 0 | 112.1 | T142 L146 H147 Q148 L171 | T142-Y144 VanDerWaalsContact C-N 3.25Å; T142-Y144 PolarHBondContact O-N 3.14Å; Y144-L146 VanDerWaalsContact C-N 3.29Å; Y144-L146 PolarHBondContact O-N 2.99Å; Y144-H147 PolarHBondContact O-N 3.09Å; Y144-Q148 HydrophobicContact CD1-CG 4.3Å; Y144-Q148 HydrophobicContact CE1-CG 3.9Å; Y144-Q148 HydrophobicContact CE2-CG 4.29Å; Y144-Q148 WeakPolarHBondContact O-CG 3.23Å; Y144-Q148 PolarHBondContact O-N 2.78Å; Y144-Q148 PolarHBondContact OH-NE2 2.79Å; Y144-L171 HydrophobicContact CE1-CD2 4.1Å |
| 145 | Q | 92.3 | Very high | 85.8 | Confident | 23 Ų | 23 | 93.7 Ų | 93.7 | 11% | 0.107 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -60.3 | -40 | 178.4 | -71.1 | 167.2 | -19.4 | 0 | 0 | 111.5 | F141 T142 L149 L171 L173 | F141-Q145 HydrophobicContact CB-CB 4.36Å; T142-Q145 PolarHBondContact O-N 3.39Å; T142-Q145 VanDerWaalsContact O-N 3.1Å; T142-Q145 VanDerWaalsContact OG1-CG 3.3Å; T142-Q145 WeakPolarHBondContact OG1-CG 3.39Å; T142-Q145 PolarHBondContact OG1-N 2.95Å; T142-Q145 PolarHBondContact OG1-OE1 2.71Å; Q145-L149 WeakPolarHBondContact O-CB 3.5Å; Q145-L149 WeakPolarHBondContact O-CD1 3.27Å; Q145-L149 WeakPolarHBondContact O-CG 3.21Å; Q145-L149 PolarHBondContact O-N 3.34Å; Q145-L171 HydrophobicContact CG-CB 4.31Å; Q145-L171 PolarHBondContact NE2-O 3.02Å; Q145-L173 VanDerWaalsContact CD-CD2 3.48Å; Q145-L173 HydrophobicContact CG-CD2 4.35Å; Q145-L173 HydrophobicContact CG-CG 4.4Å |
| 146 | L | 93.6 | Very high | 87.6 | Confident | 69 Ų | 69 | 84.2 Ų | 84.2 | 36% | 0.361 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.9 | -44.5 | 175.1 | -70.4 | 173.9 | 0 | 0 | 0 | 112.3 | F141 T142 T143 Y144 Q148 L149 E150 | F141-L146 HydrophobicContact CB-CD1 4.43Å; F141-L146 HydrophobicContact CB-CD2 3.68Å; F141-L146 HydrophobicContact CB-CG 3.72Å; F141-L146 HydrophobicContact CD2-CD2 4.42Å; F141-L146 HydrophobicContact CG-CD2 4.11Å; T142-L146 WeakPolarHBondContact O-CG 3.48Å; T142-L146 PolarHBondContact O-N 3.19Å; T143-L146 PolarHBondContact O-N 3.46Å; Y144-L146 VanDerWaalsContact C-N 3.29Å; Y144-L146 PolarHBondContact O-N 2.99Å; L146-Q148 PolarHBondContact O-N 3.02Å; L146-L149 PolarHBondContact O-N 2.94Å; L146-E150 WeakPolarHBondContact O-CB 3.49Å; L146-E150 PolarHBondContact O-N 3.45Å |
| 147 | H | 94.6 | Very high | 89.1 | Confident | 118 Ų | 118 | 82 Ų | 82 | 55% | 0.546 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.4 | -40.7 | 178.1 | -71.2 | -171.8 | 0 | 0 | 0 | 112.2 | T143 Y144 E150 R151 | T143-H147 PolarHBondContact O-CD2 2.85Å; T143-H147 VanDerWaalsContact O-CD2 3.29Å; T143-H147 VanDerWaalsContact O-CG 3.31Å; T143-H147 PolarHBondContact O-N 2.69Å; Y144-H147 PolarHBondContact O-N 3.09Å; H147-E150 PolarHBondContact O-N 2.87Å; H147-R151 WeakPolarHBondContact O-CG 3.41Å; H147-R151 PolarHBondContact O-N 2.95Å |
| 148 | Q | 93.5 | Very high | 90.7 | Very high | 47 Ų | 47 | 85.5 Ų | 85.5 | 22% | 0.22 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -72.8 | -36 | 177.9 | -60 | -66.8 | 7.3 | 0 | 0 | 112.7 | Y144 L146 E150 A152 L171 | Y144-Q148 HydrophobicContact CD1-CG 4.3Å; Y144-Q148 HydrophobicContact CE1-CG 3.9Å; Y144-Q148 HydrophobicContact CE2-CG 4.29Å; Y144-Q148 WeakPolarHBondContact O-CG 3.23Å; Y144-Q148 PolarHBondContact O-N 2.78Å; Y144-Q148 PolarHBondContact OH-NE2 2.79Å; L146-Q148 PolarHBondContact O-N 3.02Å; Q148-E150 VanDerWaalsContact C-N 3.3Å; Q148-A152 WeakPolarHBondContact O-CB 3.34Å; Q148-A152 PolarHBondContact O-N 2.77Å; Q148-L171 HydrophobicContact CB-CD1 4.31Å; Q148-L171 HydrophobicContact CB-CD2 3.39Å; Q148-L171 HydrophobicContact CB-CG 4.48Å; Q148-L171 HydrophobicContact CG-CD2 3.68Å |
| 149 | L | 94.1 | Very high | 91.8 | Very high | 1 Ų | 1 | 74.7 Ų | 74.7 | 1% | 0.005 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.7 | -34.7 | 171.9 | -73.5 | 166.7 | 0 | 0 | 0 | 111.8 | F141 Q145 L146 A152 F153 L171 W216 F217 | F141-L149 HydrophobicContact CD1-CD1 3.67Å; F141-L149 HydrophobicContact CE1-CD1 3.78Å; Q145-L149 WeakPolarHBondContact O-CB 3.5Å; Q145-L149 WeakPolarHBondContact O-CD1 3.27Å; Q145-L149 WeakPolarHBondContact O-CG 3.21Å; Q145-L149 PolarHBondContact O-N 3.34Å; L146-L149 PolarHBondContact O-N 2.94Å; L149-A152 PolarHBondContact O-N 2.84Å; L149-F153 WeakPolarHBondContact O-CB 3.3Å; L149-F153 PolarHBondContact O-N 3.47Å; L149-L171 HydrophobicContact CD2-CD1 3.92Å; L149-L171 HydrophobicContact CG-CD1 3.8Å; L149-W216 VanDerWaalsContact C-CH2 3.5Å; L149-W216 HydrophobicContact CB-CD2 4.02Å; L149-W216 HydrophobicContact CB-CE3 4.06Å; L149-W216 HydrophobicContact CB-CH2 3.73Å; L149-W216 HydrophobicContact CB-CZ2 3.64Å; L149-W216 HydrophobicContact CB-CZ3 3.93Å; L149-W216 HydrophobicContact CD1-CD2 4.01Å; L149-W216 HydrophobicContact CD1-CG 3.99Å; L149-W216 HydrophobicContact CD2-CD2 4.46Å; L149-W216 HydrophobicContact CD2-CE3 4.32Å; L149-W216 HydrophobicContact CG-CD2 4.39Å; L149-W216 WeakPolarHBondContact O-CH2 3.26Å; L149-W216 WeakPolarHBondContact O-CZ3 3.19Å; L149-F217 HydrophobicContact CD2-CE2 3.95Å |
| 150 | E | 95.7 | Very high | 92.5 | Very high | 38 Ų | 38 | 76.7 Ų | 76.7 | 18% | 0.178 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -70.6 | -47.8 | 175.2 | -158.1 | 64.3 | -117.4 | 0 | 0 | 112 | L146 H147 Q148 A152 F153 E154 R220 | L146-E150 WeakPolarHBondContact O-CB 3.49Å; L146-E150 PolarHBondContact O-N 3.45Å; H147-E150 PolarHBondContact O-N 2.87Å; Q148-E150 VanDerWaalsContact C-N 3.3Å; E150-A152 PolarHBondContact O-N 3.31Å; E150-A152 VanDerWaalsContact O-N 3.17Å; E150-F153 CarbonylContact O-C 3.58Å; E150-F153 WeakPolarHBondContact O-CA 3.35Å; E150-F153 WeakPolarHBondContact O-CB 3.12Å; E150-F153 PolarHBondContact O-N 3.31Å; E150-F153 WeakPolarHBondContact OE1-CD1 3.22Å; E150-E154 WeakPolarHBondContact O-CG 3.18Å; E150-E154 PolarHBondContact O-N 2.67Å; E150-R220 VanDerWaalsContact CD-NE 3.29Å; E150-R220 IonicContact OE1-CZ 2.86Å; E150-R220 IonicContact OE1-NE 2.89Å; E150-R220 PolarHBondContact OE1-NE 3.47Å; E150-R220 IonicContact OE1-NH1 3.7Å; E150-R220 IonicContact OE1-NH2 2.77Å; E150-R220 PolarHBondContact OE1-NH2 3.35Å; E150-R220 WeakPolarHBondContact OE2-CD 3.44Å; E150-R220 IonicContact OE2-CZ 2.81Å; E150-R220 IonicContact OE2-NE 2.7Å; E150-R220 PolarHBondContact OE2-NE 2.68Å; E150-R220 IonicContact OE2-NH1 2.79Å; E150-R220 PolarHBondContact OE2-NH1 2.83Å; E150-R220 IonicContact OE2-NH2 3.28Å; E150-R220 PolarHBondContact OE2-NH2 2.8Å |
| 151 | R | 94.6 | Very high | 92.7 | Very high | 152 Ų | 152 | 73.9 Ų | 73.9 | 57% | 0.574 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -54.4 | -35.1 | 171.4 | -74.2 | 173 | 172.8 | -168.2 | -4.3 | 112.7 | H147 E154 K155 | H147-R151 WeakPolarHBondContact O-CG 3.41Å; H147-R151 PolarHBondContact O-N 2.95Å; R151-E154 WeakPolarHBondContact CA-OE2 3.46Å; R151-K155 WeakPolarHBondContact O-CG 3.3Å; R151-K155 PolarHBondContact O-N 2.8Å |
| 152 | A | 93.8 | Very high | 92.9 | Very high | 8 Ų | 8 | 78 Ų | 78 | 7% | 0.066 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -73.2 | -33.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q148 L149 E150 S156 L167 F217 | Q148-A152 WeakPolarHBondContact O-CB 3.34Å; Q148-A152 PolarHBondContact O-N 2.77Å; L149-A152 PolarHBondContact O-N 2.84Å; E150-A152 PolarHBondContact O-N 3.31Å; E150-A152 VanDerWaalsContact O-N 3.17Å; A152-S156 PolarHBondContact O-N 2.72Å; A152-S156 VanDerWaalsContact O-O 3.09Å; A152-S156 PolarHBondContact O-OG 3.04Å; A152-L167 HydrophobicContact CB-CD1 3.45Å; A152-L167 VanDerWaalsContact CB-CD1 3.45Å; A152-L167 HydrophobicContact CB-CD2 3.83Å; A152-L167 HydrophobicContact CB-CG 4.31Å; A152-F217 HydrophobicContact CB-CZ 4.02Å |
| 153 | F | 95.3 | Very high | 92.7 | Very high | 11 Ų | 11 | 77.1 Ų | 77.1 | 5% | 0.048 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -70.5 | -37.7 | 175.7 | -175.4 | -99.7 | 0 | 0 | 0 | 112.6 | L149 E150 S156 Q157 W216 F217 R220 R221 W224 | L149-F153 WeakPolarHBondContact O-CB 3.3Å; L149-F153 PolarHBondContact O-N 3.47Å; E150-F153 CarbonylContact O-C 3.58Å; E150-F153 WeakPolarHBondContact O-CA 3.35Å; E150-F153 WeakPolarHBondContact O-CB 3.12Å; E150-F153 PolarHBondContact O-N 3.31Å; E150-F153 WeakPolarHBondContact OE1-CD1 3.22Å; F153-S156 WeakPolarHBondContact CA-O 3.21Å; F153-S156 CarbonylContact O-C 3.14Å; F153-S156 PolarHBondContact O-N 2.8Å; F153-Q157 HydrophobicContact CD2-CB 4.38Å; F153-Q157 HydrophobicContact CD2-CG 4.47Å; F153-Q157 HydrophobicContact CE1-CG 4.09Å; F153-Q157 HydrophobicContact CE2-CB 3.81Å; F153-Q157 HydrophobicContact CE2-CG 3.89Å; F153-Q157 HydrophobicContact CZ-CB 4.09Å; F153-Q157 HydrophobicContact CZ-CG 3.67Å; F153-Q157 PolarHBondContact O-N 3.15Å; F153-W216 HydrophobicContact CB-CH2 4.1Å; F153-W216 HydrophobicContact CB-CZ3 4.07Å; F153-W216 HydrophobicContact CD2-CZ3 4.43Å; F153-F217 HydrophobicContact CB-CE1 4.11Å; F153-F217 AromaticContact CD2-CD1 3.95Å; F153-F217 HydrophobicContact CD2-CD1 3.95Å; F153-F217 HydrophobicContact CD2-CE1 4.04Å; F153-R220 HydrophobicContact CB-CG 4.41Å; F153-R220 HydrophobicContact CD1-CG 3.72Å; F153-R220 HydrophobicContact CD2-CB 4.09Å; F153-R220 HydrophobicContact CD2-CG 3.52Å; F153-R220 HydrophobicContact CE1-CG 3.78Å; F153-R220 HydrophobicContact CE2-CB 4.05Å; F153-R220 HydrophobicContact CE2-CG 3.59Å; F153-R220 HydrophobicContact CG-CG 3.6Å; F153-R220 HydrophobicContact CZ-CG 3.73Å; F153-R221 HydrophobicContact CE2-CG 3.72Å; F153-R221 HydrophobicContact CZ-CG 4.29Å; F153-W224 HydrophobicContact CE1-CB 4.47Å; F153-W224 HydrophobicContact CZ-CB 4.11Å; F153-W224 HydrophobicContact CZ-CG 4.34Å |
| 154 | E | 94.9 | Very high | 92.5 | Very high | 144 Ų | 144 | 74.7 Ų | 74.7 | 67% | 0.673 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -62.1 | -46.4 | 172.5 | -70.2 | 163.5 | 174.7 | 0 | 0 | 111 | E150 R151 | E150-E154 WeakPolarHBondContact O-CG 3.18Å; E150-E154 PolarHBondContact O-N 2.67Å; R151-E154 WeakPolarHBondContact CA-OE2 3.46Å |
| 155 | K | 94.1 | Very high | 92.2 | Very high | 189 Ų | 189 | 72.5 Ų | 72.5 | 82% | 0.822 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -65.6 | -37.5 | 173.5 | -71.2 | -178.1 | -179.8 | -166.4 | 0 | 113.1 | R151 | R151-K155 WeakPolarHBondContact O-CG 3.3Å; R151-K155 PolarHBondContact O-N 2.8Å |
| 156 | S | 92.9 | Very high | 92.1 | Very high | 37 Ų | 37 | 74.9 Ų | 74.9 | 26% | 0.259 | 35% | 0.35 | S | S | . | . | trans | -157.4 | 118.9 | 177.9 | 62.3 | 0 | 0 | 0 | 0 | 112.2 | A152 F153 Y158 P159 | A152-S156 PolarHBondContact O-N 2.72Å; A152-S156 VanDerWaalsContact O-O 3.09Å; A152-S156 PolarHBondContact O-OG 3.04Å; F153-S156 WeakPolarHBondContact CA-O 3.21Å; F153-S156 CarbonylContact O-C 3.14Å; F153-S156 PolarHBondContact O-N 2.8Å; S156-Y158 PolarHBondContact O-N 2.65Å; S156-P159 WeakPolarHBondContact O-CD 3.41Å | ||
| 157 | Q | 93.7 | Very high | 91.8 | Very high | 53 Ų | 53 | 72.7 Ų | 72.7 | 25% | 0.248 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -69 | -20.8 | 173.5 | -60.7 | -169 | 6.7 | 0 | 0 | 112.7 | F153 R221 W224 | F153-Q157 HydrophobicContact CD2-CB 4.38Å; F153-Q157 HydrophobicContact CD2-CG 4.47Å; F153-Q157 HydrophobicContact CE1-CG 4.09Å; F153-Q157 HydrophobicContact CE2-CB 3.81Å; F153-Q157 HydrophobicContact CE2-CG 3.89Å; F153-Q157 HydrophobicContact CZ-CB 4.09Å; F153-Q157 HydrophobicContact CZ-CG 3.67Å; F153-Q157 PolarHBondContact O-N 3.15Å; Q157-R221 WeakPolarHBondContact O-CD 3.46Å; Q157-R221 PolarHBondContact O-NH1 3.37Å; Q157-W224 VanDerWaalsContact NE2-CE2 3.3Å |
| 158 | Y | 94 | Very high | 91.4 | Very high | 141 Ų | 141 | 68 Ų | 68 | 55% | 0.553 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -129.5 | 70.2 | -179.7 | -61.4 | -93.8 | 0 | 0 | 0 | 109.7 | S156 R225 | S156-Y158 PolarHBondContact O-N 2.65Å; Y158-R225 PolarHBondContact OH-NH2 3.46Å |
| 159 | P | 90.7 | Very high | 90.9 | Very high | 2 Ų | 2 | 72.8 Ų | 72.8 | 1% | 0.013 | 34% | 0.344 | C | S | . | . | trans | -61.8 | 147.3 | 178.3 | 27.3 | -35.8 | 0 | 0 | 0 | 110.6 | S156 T163 R164 F217 | S156-P159 WeakPolarHBondContact O-CD 3.41Å; P159-T163 HydrophobicContact CB-CG2 3.91Å; P159-R164 HydrophobicContact CB-CG 4.12Å; P159-R164 HydrophobicContact CG-CG 3.83Å; P159-R164 PolarHBondContact O-NE 3.42Å; P159-R164 PolarHBondContact O-NH2 3.02Å; P159-F217 HydrophobicContact CG-CD1 3.8Å; P159-F217 HydrophobicContact CG-CD2 4.2Å; P159-F217 HydrophobicContact CG-CE1 3.59Å; P159-F217 HydrophobicContact CG-CE2 4.03Å; P159-F217 HydrophobicContact CG-CG 4.12Å; P159-F217 HydrophobicContact CG-CZ 3.73Å | ||
| 160 | D | 91 | Very high | 90.5 | Very high | 94 Ų | 94 | 80 Ų | 80 | 50% | 0.503 | 37% | 0.371 | S | S | . | . | trans | -69.7 | 169.3 | 176.2 | 178.9 | 51.8 | 0 | 0 | 0 | 112.5 | F162 T163 R164 | D160-F162 PolarHBondContact O-N 3.38Å; D160-F162 PolarHBondContact OD2-N 3.32Å; D160-T163 PolarHBondContact O-N 2.83Å; D160-R164 WeakPolarHBondContact O-CB 3.2Å; D160-R164 VanDerWaalsContact O-CG 3.24Å; D160-R164 WeakPolarHBondContact O-CG 3.5Å; D160-R164 PolarHBondContact O-N 3.33Å | ||
| 161 | V | 86.6 | Confident | 90.1 | Very high | 68 Ų | 68 | 78.6 Ų | 78.6 | 41% | 0.412 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -50.8 | -51.4 | 171.6 | 63 | 0 | 0 | 0 | 0 | 111.6 | T163 R164 E165 F210 | V161-T163 PolarHBondContact O-N 3.45Å; V161-R164 WeakPolarHBondContact O-CB 3.29Å; V161-R164 PolarHBondContact O-N 2.94Å; V161-E165 WeakPolarHBondContact CG2-OE1 3.37Å; V161-E165 WeakPolarHBondContact O-CG 3.34Å; V161-E165 PolarHBondContact O-N 2.71Å; V161-F210 HydrophobicContact CG2-CE2 4.04Å |
| 162 | F | 88.1 | Confident | 89.4 | Confident | 135 Ų | 135 | 78.1 Ų | 78.1 | 59% | 0.592 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -66.5 | -39.5 | -178.5 | -179.2 | -104.7 | 0 | 0 | 0 | 112 | D160 R164 E165 Q166 | D160-F162 PolarHBondContact O-N 3.38Å; D160-F162 PolarHBondContact OD2-N 3.32Å; F162-R164 VanDerWaalsContact C-N 3.33Å; F162-R164 PolarHBondContact O-N 3.1Å; F162-E165 PolarHBondContact O-N 2.8Å; F162-Q166 PolarHBondContact O-N 2.92Å |
| 163 | T | 87.8 | Confident | 88.5 | Confident | 54 Ų | 54 | 78.7 Ų | 78.7 | 33% | 0.331 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.4 | -41 | 175.2 | -43.6 | 0 | 0 | 0 | 0 | 111.4 | P159 D160 V161 E165 L167 | P159-T163 HydrophobicContact CB-CG2 3.91Å; D160-T163 PolarHBondContact O-N 2.83Å; V161-T163 PolarHBondContact O-N 3.45Å; T163-E165 VanDerWaalsContact C-N 3.31Å; T163-E165 PolarHBondContact O-N 3.1Å; T163-L167 HydrophobicContact CG2-CD1 4.13Å; T163-L167 WeakPolarHBondContact O-CB 3.41Å; T163-L167 WeakPolarHBondContact O-CD1 3.26Å; T163-L167 WeakPolarHBondContact O-CG 3.29Å; T163-L167 PolarHBondContact O-N 3.07Å |
| 164 | R | 88.8 | Confident | 86.9 | Confident | 49 Ų | 49 | 82 Ų | 82 | 19% | 0.185 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -65.9 | -33.3 | 175.8 | -70.9 | 172.1 | -150.8 | 171.1 | 13.2 | 112.2 | P159 D160 V161 F162 L167 A168 F210 | P159-R164 HydrophobicContact CB-CG 4.12Å; P159-R164 HydrophobicContact CG-CG 3.83Å; P159-R164 PolarHBondContact O-NE 3.42Å; P159-R164 PolarHBondContact O-NH2 3.02Å; D160-R164 WeakPolarHBondContact O-CB 3.2Å; D160-R164 VanDerWaalsContact O-CG 3.24Å; D160-R164 WeakPolarHBondContact O-CG 3.5Å; D160-R164 PolarHBondContact O-N 3.33Å; V161-R164 WeakPolarHBondContact O-CB 3.29Å; V161-R164 PolarHBondContact O-N 2.94Å; F162-R164 VanDerWaalsContact C-N 3.33Å; F162-R164 PolarHBondContact O-N 3.1Å; R164-L167 CarbonylContact O-C 3.55Å; R164-A168 WeakPolarHBondContact O-CA 3.17Å; R164-A168 WeakPolarHBondContact O-CB 3.3Å; R164-A168 PolarHBondContact O-N 3.2Å; R164-F210 HydrophobicContact CB-CE2 4.37Å |
| 165 | E | 86.6 | Confident | 85 | Confident | 90 Ų | 90 | 80.5 Ų | 80.5 | 42% | 0.421 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -75.6 | -41.4 | 178.4 | -73.9 | 167.5 | -178 | 0 | 0 | 112 | V161 F162 T163 L167 A168 M169 | V161-E165 WeakPolarHBondContact CG2-OE1 3.37Å; V161-E165 WeakPolarHBondContact O-CG 3.34Å; V161-E165 PolarHBondContact O-N 2.71Å; F162-E165 PolarHBondContact O-N 2.8Å; T163-E165 VanDerWaalsContact C-N 3.31Å; T163-E165 PolarHBondContact O-N 3.1Å; E165-L167 VanDerWaalsContact C-N 3.33Å; E165-L167 PolarHBondContact O-N 3.45Å; E165-A168 WeakPolarHBondContact O-CA 3.11Å; E165-A168 WeakPolarHBondContact O-CB 3.43Å; E165-A168 PolarHBondContact O-N 3.32Å; E165-M169 WeakPolarHBondContact O-CG 3.16Å; E165-M169 PolarHBondContact O-N 3.32Å |
| 166 | Q | 88.8 | Confident | 83 | Confident | 73 Ų | 73 | 74.1 Ų | 74.1 | 34% | 0.341 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.5 | -40.9 | 171.6 | -171.1 | 179.8 | 91.4 | 0 | 0 | 111.8 | F162 A168 R170 | F162-Q166 PolarHBondContact O-N 2.92Å; Q166-A168 PolarHBondContact O-N 3.43Å; Q166-R170 WeakPolarHBondContact O-CB 3.46Å; Q166-R170 WeakPolarHBondContact O-CG 3.31Å; Q166-R170 PolarHBondContact O-N 3.17Å; Q166-R170 VanDerWaalsContact O-N 3.14Å; Q166-R170 VanDerWaalsContact OE1-CZ 3.22Å |
| 167 | L | 88.9 | Confident | 80.8 | Confident | 23 Ų | 23 | 79.2 Ų | 79.2 | 12% | 0.12 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -69.9 | -20.4 | 169.3 | -67.6 | 166.2 | 0 | 0 | 0 | 112.7 | A152 T163 R164 E165 L171 F217 | A152-L167 HydrophobicContact CB-CD1 3.45Å; A152-L167 VanDerWaalsContact CB-CD1 3.45Å; A152-L167 HydrophobicContact CB-CD2 3.83Å; A152-L167 HydrophobicContact CB-CG 4.31Å; T163-L167 HydrophobicContact CG2-CD1 4.13Å; T163-L167 WeakPolarHBondContact O-CB 3.41Å; T163-L167 WeakPolarHBondContact O-CD1 3.26Å; T163-L167 WeakPolarHBondContact O-CG 3.29Å; T163-L167 PolarHBondContact O-N 3.07Å; R164-L167 CarbonylContact O-C 3.55Å; E165-L167 VanDerWaalsContact C-N 3.33Å; E165-L167 PolarHBondContact O-N 3.45Å; L167-L171 WeakPolarHBondContact O-CD1 3.3Å; L167-L171 VanDerWaalsContact O-CG 3.31Å; L167-L171 WeakPolarHBondContact O-CG 3.44Å; L167-F217 HydrophobicContact CD1-CZ 4.47Å |
| 168 | A | 85.2 | Confident | 78.2 | Confident | 19 Ų | 19 | 80.6 Ų | 80.6 | 16% | 0.157 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -73.5 | -40.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | R164 E165 Q166 K213 | R164-A168 WeakPolarHBondContact O-CA 3.17Å; R164-A168 WeakPolarHBondContact O-CB 3.3Å; R164-A168 PolarHBondContact O-N 3.2Å; E165-A168 WeakPolarHBondContact O-CA 3.11Å; E165-A168 WeakPolarHBondContact O-CB 3.43Å; E165-A168 PolarHBondContact O-N 3.32Å; Q166-A168 PolarHBondContact O-N 3.43Å; A168-K213 HydrophobicContact CB-CD 3.51Å; A168-K213 PolarHBondContact O-NZ 3.25Å |
| 169 | M | 83.7 | Confident | 75.9 | Confident | 147 Ų | 147 | 77.6 Ų | 77.6 | 72% | 0.724 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -72.7 | -55.6 | 177.3 | -62.4 | 166.8 | 71.8 | 0 | 0 | 110.8 | E165 L171 D172 | E165-M169 WeakPolarHBondContact O-CG 3.16Å; E165-M169 PolarHBondContact O-N 3.32Å; M169-L171 PolarHBondContact O-N 3.2Å; M169-D172 PolarHBondContact O-N 2.91Å; M169-D172 VanDerWaalsContact O-N 3.11Å |
| 170 | R | 86.5 | Confident | 74.1 | Confident | 154 Ų | 154 | 79.9 Ų | 79.9 | 58% | 0.581 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -10.2 | -175 | -78.8 | -177 | 176.8 | 146 | 4.9 | 117.2 | Q166 | Q166-R170 WeakPolarHBondContact O-CB 3.46Å; Q166-R170 WeakPolarHBondContact O-CG 3.31Å; Q166-R170 PolarHBondContact O-N 3.17Å; Q166-R170 VanDerWaalsContact O-N 3.14Å; Q166-R170 VanDerWaalsContact OE1-CZ 3.22Å |
| 171 | L | 85.7 | Confident | 72.3 | Confident | 8 Ų | 8 | 78.6 Ų | 78.6 | 4% | 0.042 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.2 | -2 | -173.8 | -60.7 | -174.8 | 0 | 0 | 0 | 113.7 | Y144 Q145 Q148 L149 L167 M169 L173 | Y144-L171 HydrophobicContact CE1-CD2 4.1Å; Q145-L171 HydrophobicContact CG-CB 4.31Å; Q145-L171 PolarHBondContact NE2-O 3.02Å; Q148-L171 HydrophobicContact CB-CD1 4.31Å; Q148-L171 HydrophobicContact CB-CD2 3.39Å; Q148-L171 HydrophobicContact CB-CG 4.48Å; Q148-L171 HydrophobicContact CG-CD2 3.68Å; L149-L171 HydrophobicContact CD2-CD1 3.92Å; L149-L171 HydrophobicContact CG-CD1 3.8Å; L167-L171 WeakPolarHBondContact O-CD1 3.3Å; L167-L171 VanDerWaalsContact O-CG 3.31Å; L167-L171 WeakPolarHBondContact O-CG 3.44Å; M169-L171 PolarHBondContact O-N 3.2Å; L171-L173 HydrophobicContact CB-CD1 3.98Å; L171-L173 HydrophobicContact CB-CG 4.16Å; L171-L173 HydrophobicContact CD1-CD1 4.24Å; L171-L173 PolarHBondContact O-N 3.5Å |
| 172 | D | 81.5 | Confident | 70.8 | Confident | 142 Ų | 142 | 78.4 Ų | 78.4 | 76% | 0.759 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 39.7 | 40.8 | -179.1 | -64.2 | -56.9 | 0 | 0 | 0 | 113.4 | M169 S174 | M169-D172 PolarHBondContact O-N 2.91Å; M169-D172 VanDerWaalsContact O-N 3.11Å; D172-S174 PolarHBondContact O-N 3.42Å |
| 173 | L | 73.5 | Confident | 69.4 | Low | 20 Ų | 20 | 76.6 Ų | 76.6 | 11% | 0.105 | 40% | 0.396 | C | S | . | . | trans | -65.5 | 120.3 | 176.9 | -83.7 | 160.5 | 0 | 0 | 0 | 106.9 | F141 Q145 L171 Q209 K213 | F141-L173 HydrophobicContact CD1-CD1 4.17Å; F141-L173 HydrophobicContact CD1-CD2 3.55Å; F141-L173 HydrophobicContact CE1-CD1 3.94Å; F141-L173 HydrophobicContact CE1-CD2 3.75Å; Q145-L173 VanDerWaalsContact CD-CD2 3.48Å; Q145-L173 HydrophobicContact CG-CD2 4.35Å; Q145-L173 HydrophobicContact CG-CG 4.4Å; L171-L173 HydrophobicContact CB-CD1 3.98Å; L171-L173 HydrophobicContact CB-CG 4.16Å; L171-L173 HydrophobicContact CD1-CD1 4.24Å; L171-L173 PolarHBondContact O-N 3.5Å; L173-Q209 VanDerWaalsContact CB-OE1 3.27Å; L173-Q209 PolarHBondContact O-NE2 2.91Å; L173-Q209 PolarHBondContact O-OE1 3.16Å; L173-K213 HydrophobicContact CD1-CD 4.39Å; L173-K213 HydrophobicContact CD1-CG 4.21Å | ||
| 174 | S | 62.1 | Low | 68.2 | Low | 79 Ų | 79 | 82.1 Ų | 82.1 | 55% | 0.552 | 41% | 0.41 | S | S | * | . | trans | -78.2 | 148.1 | -168.4 | 56.8 | 0 | 0 | 0 | 0 | 112 | D172 A176 Q209 | D172-S174 PolarHBondContact O-N 3.42Å; S174-A176 PolarHBondContact O-N 3.22Å; S174-A176 VanDerWaalsContact O-N 3.16Å; S174-Q209 PolarHBondContact O-NE2 3.09Å | ||
| 175 | E | 55.6 | Low | 66.8 | Low | 114 Ų | 114 | 82.4 Ų | 82.4 | 53% | 0.533 | 42% | 0.415 | S | S | . | . | trans | -64.2 | -14.6 | 176.9 | 179.7 | 165 | 177.8 | 0 | 0 | 112.8 | R177 G205 Q209 | E175-R177 PolarHBondContact O-N 2.72Å; E175-G205 WeakPolarHBondContact OE1-CA 3.4Å; E175-G205 WeakPolarHBondContact OE2-CA 3.4Å; E175-Q209 VanDerWaalsContact CA-NE2 3.34Å | ||
| 176 | A | 51.7 | Low | 65.9 | Low | 54 Ų | 54 | 82.1 Ų | 82.1 | 45% | 0.446 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | 75.8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | S174 | S174-A176 PolarHBondContact O-N 3.22Å; S174-A176 VanDerWaalsContact O-N 3.16Å |
| 177 | R | 46.4 | Very low | 64.8 | Low | 145 Ų | 145 | 80.3 Ų | 80.3 | 55% | 0.547 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | 173.6 | 77.2 | 115.1 | -89.7 | 160.6 | -83.4 | -158.2 | -7.4 | 116.3 | R136 E175 | R136-R177 WeakPolarHBondContact CD-O 3.36Å; E175-R177 PolarHBondContact O-N 2.72Å | |
| 178 | V | 38.2 | Very low | 63.6 | Low | 82 Ų | 82 | 82.6 Ų | 82.6 | 50% | 0.497 | 43% | 0.429 | S | S | . | . | 70.2 | 120 | 119.9 | 177 | 0 | 0 | 0 | 0 | 118.8 | R136 | R136-V178 WeakPolarHBondContact CD-O 3.41Å; R136-V178 VanDerWaalsContact CZ-O 3.27Å; R136-V178 VanDerWaalsContact NE-CG1 3.32Å; R136-V178 PolarHBondContact NE-O 2.85Å; R136-V178 VanDerWaalsContact NE-O 3.16Å; R136-V178 PolarHBondContact NH1-O 3.4Å | |||
| 179 | Q | 46.5 | Very low | 62.5 | Low | 77 Ų | 77 | 82.8 Ų | 82.8 | 36% | 0.36 | 43% | 0.431 | S | S | . | . | trans | 49.5 | 98.3 | 165.8 | -37 | 160.8 | 8.7 | 0 | 0 | 118.8 | R136 L182 | R136-Q179 PolarHBondContact NH1-O 2.92Å; Q179-L182 HydrophobicContact CB-CB 3.82Å; Q179-L182 VanDerWaalsContact CD-CD2 3.48Å; Q179-L182 HydrophobicContact CG-CB 3.39Å; Q179-L182 HydrophobicContact CG-CD2 4.12Å; Q179-L182 HydrophobicContact CG-CG 4.39Å; Q179-L182 VanDerWaalsContact NE2-CD2 3.3Å | ||
| 180 | P | 54.1 | Low | 61.8 | Low | 51 Ų | 51 | 82.4 Ų | 82.4 | 33% | 0.331 | 43% | 0.431 | S | S | . | . | S | Bend | -94.6 | -29.9 | 119.1 | 31.5 | -34.3 | 0 | 0 | 0 | 110.8 | V183 R184 F211 | P180-V183 PolarHBondContact O-N 2.8Å; P180-R184 PolarHBondContact O-N 3.17Å; P180-R184 VanDerWaalsContact O-N 3.07Å; P180-F211 HydrophobicContact CB-CE1 4.16Å; P180-F211 HydrophobicContact CB-CZ 4.09Å; P180-F211 HydrophobicContact CG-CD1 3.88Å; P180-F211 HydrophobicContact CG-CE1 3.72Å; P180-F211 HydrophobicContact CG-CE2 4.41Å; P180-F211 HydrophobicContact CG-CG 4.28Å; P180-F211 HydrophobicContact CG-CZ 4.01Å | |
| 181 | L | 52.9 | Low | 60.7 | Low | 67 Ų | 67 | 78.2 Ų | 78.2 | 35% | 0.351 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64.9 | -41.6 | -176.7 | -78.6 | 174.4 | 0 | 0 | 0 | 113.2 | V183 R184 L185 | L181-V183 VanDerWaalsContact C-N 3.31Å; L181-V183 PolarHBondContact O-N 3.47Å; L181-R184 CarbonylContact O-C 3.56Å; L181-R184 PolarHBondContact O-N 2.85Å; L181-L185 HydrophobicContact CB-CD1 4.36Å; L181-L185 VanDerWaalsContact O-CB 3.25Å; L181-L185 WeakPolarHBondContact O-CB 3.45Å; L181-L185 VanDerWaalsContact O-CG 3.23Å; L181-L185 WeakPolarHBondContact O-CG 3.47Å; L181-L185 PolarHBondContact O-N 3.43Å |
| 182 | L | 54.2 | Low | 59.8 | Low | 63 Ų | 63 | 79.8 Ų | 79.8 | 33% | 0.33 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -68 | -30.9 | 176.5 | -166.3 | 71 | 0 | 0 | 0 | 112.4 | Q179 R184 L185 I186 | Q179-L182 HydrophobicContact CB-CB 3.82Å; Q179-L182 VanDerWaalsContact CD-CD2 3.48Å; Q179-L182 HydrophobicContact CG-CB 3.39Å; Q179-L182 HydrophobicContact CG-CD2 4.12Å; Q179-L182 HydrophobicContact CG-CG 4.39Å; Q179-L182 VanDerWaalsContact NE2-CD2 3.3Å; L182-R184 VanDerWaalsContact C-N 3.34Å; L182-L185 PolarHBondContact O-N 2.7Å; L182-I186 HydrophobicContact CD1-CD1 4.13Å; L182-I186 HydrophobicContact CD1-CG1 4.04Å; L182-I186 HydrophobicContact CD2-CD1 3.93Å; L182-I186 HydrophobicContact CG-CD1 3.64Å; L182-I186 HydrophobicContact CG-CG1 3.93Å; L182-I186 WeakPolarHBondContact O-CB 3.23Å; L182-I186 VanDerWaalsContact O-CG1 3.3Å; L182-I186 WeakPolarHBondContact O-CG1 3.25Å; L182-I186 PolarHBondContact O-N 2.81Å |
| 183 | V | 59.9 | Low | 58.3 | Low | 98 Ų | 98 | 76.1 Ų | 76.1 | 59% | 0.594 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -66.7 | -39.8 | 173.9 | -177.2 | 0 | 0 | 0 | 0 | 110.3 | P180 L181 G187 | P180-V183 PolarHBondContact O-N 2.8Å; L181-V183 VanDerWaalsContact C-N 3.31Å; L181-V183 PolarHBondContact O-N 3.47Å; V183-G187 PolarHBondContact O-N 3.49Å |
| 184 | R | 61.1 | Low | 57.6 | Low | 169 Ų | 169 | 79 Ų | 79 | 64% | 0.638 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -72.9 | -35 | 174.4 | -77.5 | -176.5 | 162.2 | 143.5 | -2.6 | 113.9 | P180 L181 L182 G187 L188 | P180-R184 PolarHBondContact O-N 3.17Å; P180-R184 VanDerWaalsContact O-N 3.07Å; L181-R184 CarbonylContact O-C 3.56Å; L181-R184 PolarHBondContact O-N 2.85Å; L182-R184 VanDerWaalsContact C-N 3.34Å; R184-G187 PolarHBondContact O-N 3.39Å; R184-L188 WeakPolarHBondContact O-CB 3.31Å; R184-L188 WeakPolarHBondContact O-CD1 3.45Å; R184-L188 PolarHBondContact O-N 2.77Å |
| 185 | L | 60.7 | Low | 57.3 | Low | 56 Ų | 56 | 80 Ų | 80 | 29% | 0.293 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -79.2 | -37.5 | -179.9 | -72 | 167.6 | 0 | 0 | 0 | 112.3 | L181 L182 G187 L188 A189 | L181-L185 HydrophobicContact CB-CD1 4.36Å; L181-L185 VanDerWaalsContact O-CB 3.25Å; L181-L185 WeakPolarHBondContact O-CB 3.45Å; L181-L185 VanDerWaalsContact O-CG 3.23Å; L181-L185 WeakPolarHBondContact O-CG 3.47Å; L181-L185 PolarHBondContact O-N 3.43Å; L182-L185 PolarHBondContact O-N 2.7Å; L185-G187 VanDerWaalsContact C-N 3.33Å; L185-L188 PolarHBondContact O-N 2.98Å; L185-A189 VanDerWaalsContact O-CB 3.22Å; L185-A189 WeakPolarHBondContact O-CB 3.37Å; L185-A189 PolarHBondContact O-N 2.77Å |
| 186 | I | 67.6 | Low | 57.3 | Low | 83 Ų | 83 | 78.8 Ų | 78.8 | 43% | 0.426 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65.3 | -41.6 | 166.3 | -69.6 | 176.6 | 0 | 0 | 0 | 109.2 | L182 L188 A189 L190 | L182-I186 HydrophobicContact CD1-CD1 4.13Å; L182-I186 HydrophobicContact CD1-CG1 4.04Å; L182-I186 HydrophobicContact CD2-CD1 3.93Å; L182-I186 HydrophobicContact CG-CD1 3.64Å; L182-I186 HydrophobicContact CG-CG1 3.93Å; L182-I186 WeakPolarHBondContact O-CB 3.23Å; L182-I186 VanDerWaalsContact O-CG1 3.3Å; L182-I186 WeakPolarHBondContact O-CG1 3.25Å; L182-I186 PolarHBondContact O-N 2.81Å; I186-L188 PolarHBondContact O-N 3.34Å; I186-A189 PolarHBondContact O-N 3.39Å; I186-L190 HydrophobicContact CG2-CD1 3.58Å; I186-L190 HydrophobicContact CG2-CG 4.02Å; I186-L190 VanDerWaalsContact O-CB 3.3Å; I186-L190 WeakPolarHBondContact O-CB 3.36Å; I186-L190 VanDerWaalsContact O-CG 3.26Å; I186-L190 WeakPolarHBondContact O-CG 3.48Å; I186-L190 PolarHBondContact O-N 3.24Å |
| 187 | G | 65.6 | Low | 57.5 | Low | 36 Ų | 36 | 85.1 Ų | 85.1 | 37% | 0.371 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -54.3 | -49.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | V183 R184 L185 A191 | V183-G187 PolarHBondContact O-N 3.49Å; R184-G187 PolarHBondContact O-N 3.39Å; L185-G187 VanDerWaalsContact C-N 3.33Å; G187-A191 WeakPolarHBondContact O-CB 3.22Å; G187-A191 PolarHBondContact O-N 2.87Å |
| 188 | L | 64.2 | Low | 58 | Low | 70 Ų | 70 | 83.2 Ų | 83.2 | 37% | 0.366 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67.4 | -42.5 | 176.6 | -102.5 | 66 | 0 | 0 | 0 | 113.1 | R184 L185 I186 A191 T192 L311 | R184-L188 WeakPolarHBondContact O-CB 3.31Å; R184-L188 WeakPolarHBondContact O-CD1 3.45Å; R184-L188 PolarHBondContact O-N 2.77Å; L185-L188 PolarHBondContact O-N 2.98Å; I186-L188 PolarHBondContact O-N 3.34Å; L188-A191 PolarHBondContact O-N 3.48Å; L188-T192 WeakPolarHBondContact O-CB 2.91Å; L188-T192 WeakPolarHBondContact O-CG2 3.23Å; L188-T192 PolarHBondContact O-N 3.48Å; L188-T192 PolarHBondContact O-OG1 3.31Å; L188-L311 HydrophobicContact CD1-CD2 4.09Å; L188-L311 HydrophobicContact CD2-CD2 4.4Å |
| 189 | A | 62.2 | Low | 58.7 | Low | 24 Ų | 24 | 85.1 Ų | 85.1 | 20% | 0.198 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -65.8 | -40.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L185 I186 G193 | L185-A189 VanDerWaalsContact O-CB 3.22Å; L185-A189 WeakPolarHBondContact O-CB 3.37Å; L185-A189 PolarHBondContact O-N 2.77Å; I186-A189 PolarHBondContact O-N 3.39Å; A189-G193 WeakPolarHBondContact O-CA 3.3Å; A189-G193 PolarHBondContact O-N 3.41Å |
| 190 | L | 67.6 | Low | 58.6 | Low | 139 Ų | 139 | 84.5 Ų | 84.5 | 73% | 0.728 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -69.2 | -38.8 | 173.5 | -66.8 | 176.8 | 0 | 0 | 0 | 112.1 | I186 | I186-L190 HydrophobicContact CG2-CD1 3.58Å; I186-L190 HydrophobicContact CG2-CG 4.02Å; I186-L190 VanDerWaalsContact O-CB 3.3Å; I186-L190 WeakPolarHBondContact O-CB 3.36Å; I186-L190 VanDerWaalsContact O-CG 3.26Å; I186-L190 WeakPolarHBondContact O-CG 3.48Å; I186-L190 PolarHBondContact O-N 3.24Å |
| 191 | A | 64.4 | Low | 58.2 | Low | 66 Ų | 66 | 88.6 Ų | 88.6 | 55% | 0.545 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -73.6 | -29.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114 | G187 L188 | G187-A191 WeakPolarHBondContact O-CB 3.22Å; G187-A191 PolarHBondContact O-N 2.87Å; L188-A191 PolarHBondContact O-N 3.48Å |
| 192 | T | 66.7 | Low | 57.9 | Low | 41 Ų | 41 | 93.5 Ų | 93.5 | 25% | 0.252 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -91.5 | -17.4 | 177.5 | 56.3 | 0 | 0 | 0 | 0 | 113.2 | L188 V194 | L188-T192 WeakPolarHBondContact O-CB 2.91Å; L188-T192 WeakPolarHBondContact O-CG2 3.23Å; L188-T192 PolarHBondContact O-N 3.48Å; L188-T192 PolarHBondContact O-OG1 3.31Å; T192-V194 PolarHBondContact O-N 2.8Å; T192-V194 VanDerWaalsContact O-N 3.09Å |
| 193 | G | 50.2 | Low | 57.4 | Low | 65 Ų | 65 | 94 Ų | 94 | 67% | 0.67 | 57% | 0.57 | S | S | * | * | trans | 66.9 | 0.2 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | A189 A195 | A189-G193 WeakPolarHBondContact O-CA 3.3Å; A189-G193 PolarHBondContact O-N 3.41Å; G193-A195 PolarHBondContact O-N 3.39Å | ||
| 194 | V | 58.5 | Low | 57 | Low | 79 Ų | 79 | 93.6 Ų | 93.6 | 48% | 0.479 | 56% | 0.558 | S | S | . | * | trans | -78.5 | 119.7 | 179.6 | -179.8 | 0 | 0 | 0 | 0 | 108.6 | T192 I196 | T192-V194 PolarHBondContact O-N 2.8Å; T192-V194 VanDerWaalsContact O-N 3.09Å; V194-I196 HydrophobicContact CB-CG1 4.22Å; V194-I196 HydrophobicContact CG1-CG1 3.81Å; V194-I196 PolarHBondContact O-N 2.95Å | ||
| 195 | A | 54.7 | Low | 56.4 | Low | 100 Ų | 100 | 86.8 Ų | 86.8 | 83% | 0.826 | 54% | 0.54 | S | S | * | . | trans | -70.4 | 70.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | G193 K197 | G193-A195 PolarHBondContact O-N 3.39Å; A195-K197 PolarHBondContact O-N 2.75Å | ||
| 196 | I | 57 | Low | 56.3 | Low | 89 Ų | 89 | 88 Ų | 88 | 46% | 0.456 | 56% | 0.558 | S | S | . | * | trans | -60.9 | 109.5 | 175.4 | -57.5 | 176.5 | 0 | 0 | 0 | 107.4 | V194 L198 | V194-I196 HydrophobicContact CB-CG1 4.22Å; V194-I196 HydrophobicContact CG1-CG1 3.81Å; V194-I196 PolarHBondContact O-N 2.95Å; I196-L198 HydrophobicContact CG2-CG 4.17Å; I196-L198 PolarHBondContact O-N 3.16Å | ||
| 197 | K | 56.1 | Low | 55.9 | Low | 188 Ų | 188 | 88.2 Ų | 88.2 | 82% | 0.817 | 56% | 0.557 | S | S | * | * | trans | -69.1 | 83.5 | 179.5 | -162.8 | 170.4 | -175.4 | 176.7 | 0 | 109 | A195 T199 | A195-K197 PolarHBondContact O-N 2.75Å; K197-T199 PolarHBondContact O-N 2.99Å | ||
| 198 | L | 56 | Low | 55.6 | Low | 105 Ų | 105 | 88.5 Ų | 88.5 | 55% | 0.55 | 55% | 0.552 | S | S | . | * | trans | -71.2 | 67 | -173.7 | -86.9 | 161.5 | 0 | 0 | 0 | 111.7 | I196 | I196-L198 HydrophobicContact CG2-CG 4.17Å; I196-L198 PolarHBondContact O-N 3.16Å | ||
| 199 | T | 52 | Low | 55.6 | Low | 122 Ų | 122 | 86.1 Ų | 86.1 | 75% | 0.748 | 54% | 0.539 | S | S | * | . | trans | -146.5 | 77.6 | -178.6 | -42.7 | 0 | 0 | 0 | 0 | 107.5 | K197 | K197-T199 PolarHBondContact O-N 2.99Š| ||
| 200 | G | 45.2 | Very low | 55.8 | Low | 64 Ų | 64 | 87.9 Ų | 87.9 | 66% | 0.66 | 54% | 0.542 | S | S | * | . | S | Bend | trans | 178.9 | -42.1 | -177 | 0 | 0 | 0 | 0 | 0 | 116.3 | I202 | G200-I202 PolarHBondContact O-N 3.46Š|
| 201 | L | 46.2 | Very low | 55.8 | Low | 137 Ų | 137 | 84.8 Ų | 84.8 | 72% | 0.717 | 52% | 0.523 | S | S | * | . | trans | -94.8 | 56.7 | 179.4 | -81.9 | 85 | 0 | 0 | 0 | 112.9 | G203 | L201-G203 PolarHBondContact O-N 2.72Š| ||
| 202 | I | 46.1 | Very low | 56.3 | Low | 169 Ų | 169 | 83.3 Ų | 83.3 | 87% | 0.867 | 51% | 0.506 | S | S | * | . | trans | -91 | 90.3 | 164.9 | -57.8 | 177.2 | 0 | 0 | 0 | 107 | G200 | G200-I202 PolarHBondContact O-N 3.46Š| ||
| 203 | G | 44.5 | Very low | 56.8 | Low | 74 Ų | 74 | 81.6 Ų | 81.6 | 76% | 0.763 | 50% | 0.495 | S | S | * | . | trans | 172.9 | 49 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | L201 | L201-G203 PolarHBondContact O-N 2.72Š| ||
| 204 | R | 51.1 | Low | 58.3 | Low | 90 Ų | 90 | 81.3 Ų | 81.3 | 34% | 0.34 | 48% | 0.476 | S | S | . | . | trans | -134.4 | 37.8 | -172.7 | -53.8 | -152.8 | -158.6 | -167.3 | 0.5 | 115.3 | A206 E207 | R204-A206 PolarHBondContact O-N 3.21Å; R204-E207 HydrophobicContact CB-CB 4.41Å; R204-E207 HydrophobicContact CB-CG 4.46Å; R204-E207 WeakPolarHBondContact CD-OE1 3.29Å; R204-E207 WeakPolarHBondContact CD-OE2 3.38Å; R204-E207 IonicContact CZ-OE1 2.73Å; R204-E207 IonicContact CZ-OE2 2.71Å; R204-E207 IonicContact NE-OE2 3.13Å; R204-E207 VanDerWaalsContact NH1-CD 3.26Å; R204-E207 IonicContact NH1-OE1 3.06Å; R204-E207 PolarHBondContact NH1-OE1 2.79Å; R204-E207 IonicContact NH1-OE2 2.6Å; R204-E207 PolarHBondContact NH1-OE2 3.4Å; R204-E207 PolarHBondContact O-N 3.07Å | ||
| 205 | G | 48.9 | Very low | 59.6 | Low | 25 Ų | 25 | 79.6 Ų | 79.6 | 26% | 0.258 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -57.3 | -35.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | E175 T208 Q209 | E175-G205 WeakPolarHBondContact OE1-CA 3.4Å; E175-G205 WeakPolarHBondContact OE2-CA 3.4Å; G205-T208 PolarHBondContact O-OG1 2.82Å; G205-T208 VanDerWaalsContact O-OG1 3.04Å; G205-Q209 WeakPolarHBondContact O-CG 3.35Å |
| 206 | A | 57.5 | Low | 61.3 | Low | 83 Ų | 83 | 76.2 Ų | 76.2 | 69% | 0.686 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -64.5 | -40.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | R204 T208 Q209 F210 | R204-A206 PolarHBondContact O-N 3.21Å; A206-T208 PolarHBondContact O-N 3.5Å; A206-Q209 WeakPolarHBondContact O-CB 3.47Å; A206-Q209 PolarHBondContact O-N 3.04Å; A206-F210 PolarHBondContact O-N 2.94Å |
| 207 | E | 59.4 | Low | 63 | Low | 86 Ų | 86 | 72.1 Ų | 72.1 | 40% | 0.402 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -66.6 | -39.4 | -176.1 | -73.3 | -171.6 | -177.8 | 0 | 0 | 112.5 | R204 Q209 F210 F211 | R204-E207 HydrophobicContact CB-CB 4.41Å; R204-E207 HydrophobicContact CB-CG 4.46Å; R204-E207 WeakPolarHBondContact CD-OE1 3.29Å; R204-E207 WeakPolarHBondContact CD-OE2 3.38Å; R204-E207 IonicContact CZ-OE1 2.73Å; R204-E207 IonicContact CZ-OE2 2.71Å; R204-E207 IonicContact NE-OE2 3.13Å; R204-E207 VanDerWaalsContact NH1-CD 3.26Å; R204-E207 IonicContact NH1-OE1 3.06Å; R204-E207 PolarHBondContact NH1-OE1 2.79Å; R204-E207 IonicContact NH1-OE2 2.6Å; R204-E207 PolarHBondContact NH1-OE2 3.4Å; R204-E207 PolarHBondContact O-N 3.07Å; E207-Q209 VanDerWaalsContact C-N 3.31Å; E207-Q209 PolarHBondContact O-N 3.26Å; E207-F210 PolarHBondContact O-N 2.89Å; E207-F211 PolarHBondContact O-N 3.32Å |
| 208 | T | 59.7 | Low | 64.6 | Low | 42 Ų | 42 | 67.8 Ų | 67.8 | 26% | 0.258 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65.8 | -38.4 | 178.8 | 64.9 | 0 | 0 | 0 | 0 | 111.2 | G205 A206 F211 L212 | G205-T208 PolarHBondContact O-OG1 2.82Å; G205-T208 VanDerWaalsContact O-OG1 3.04Å; A206-T208 PolarHBondContact O-N 3.5Å; T208-F211 PolarHBondContact O-N 3.46Å; T208-L212 PolarHBondContact O-N 3.16Å; T208-L212 VanDerWaalsContact O-N 3.17Å |
| 209 | Q | 63.3 | Low | 66.4 | Low | 21 Ų | 21 | 67.3 Ų | 67.3 | 10% | 0.098 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62.6 | -50.2 | 174.3 | -72.4 | -44.6 | -47.2 | 0 | 0 | 112.5 | L173 S174 E175 G205 A206 E207 F211 L212 K213 | L173-Q209 VanDerWaalsContact CB-OE1 3.27Å; L173-Q209 PolarHBondContact O-NE2 2.91Å; L173-Q209 PolarHBondContact O-OE1 3.16Å; S174-Q209 PolarHBondContact O-NE2 3.09Å; E175-Q209 VanDerWaalsContact CA-NE2 3.34Å; G205-Q209 WeakPolarHBondContact O-CG 3.35Å; A206-Q209 WeakPolarHBondContact O-CB 3.47Å; A206-Q209 PolarHBondContact O-N 3.04Å; E207-Q209 VanDerWaalsContact C-N 3.31Å; E207-Q209 PolarHBondContact O-N 3.26Å; Q209-F211 VanDerWaalsContact C-N 3.26Å; Q209-F211 PolarHBondContact O-N 2.83Å; Q209-L212 PolarHBondContact O-N 3Å; Q209-K213 WeakPolarHBondContact O-CB 3.34Å; Q209-K213 VanDerWaalsContact O-CD 3.29Å; Q209-K213 WeakPolarHBondContact O-CD 3.48Å; Q209-K213 WeakPolarHBondContact O-CG 3.32Å; Q209-K213 PolarHBondContact O-N 3.32Å; Q209-K213 VanDerWaalsContact O-N 3.15Å; Q209-K213 VanDerWaalsContact OE1-CE 3.26Å |
| 210 | F | 66.7 | Low | 68.4 | Low | 60 Ų | 60 | 65.2 Ų | 65.2 | 26% | 0.263 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -56.1 | -43.3 | 178 | -170.2 | -93.2 | 0 | 0 | 0 | 111.3 | V161 R164 A206 E207 K213 Q214 | V161-F210 HydrophobicContact CG2-CE2 4.04Å; R164-F210 HydrophobicContact CB-CE2 4.37Å; A206-F210 PolarHBondContact O-N 2.94Å; E207-F210 PolarHBondContact O-N 2.89Å; F210-K213 PolarHBondContact O-N 3.35Å; F210-Q214 VanDerWaalsContact O-CB 3.25Å; F210-Q214 WeakPolarHBondContact O-CB 3.4Å; F210-Q214 PolarHBondContact O-N 2.86Å |
| 211 | F | 68.8 | Low | 70.8 | Confident | 74 Ų | 74 | 63.3 Ų | 63.3 | 33% | 0.325 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.1 | -49.1 | 179.2 | -173.4 | -97.1 | 0 | 0 | 0 | 113.3 | P180 E207 T208 Q209 K213 Q214 V215 | P180-F211 HydrophobicContact CB-CE1 4.16Å; P180-F211 HydrophobicContact CB-CZ 4.09Å; P180-F211 HydrophobicContact CG-CD1 3.88Å; P180-F211 HydrophobicContact CG-CE1 3.72Å; P180-F211 HydrophobicContact CG-CE2 4.41Å; P180-F211 HydrophobicContact CG-CG 4.28Å; P180-F211 HydrophobicContact CG-CZ 4.01Å; E207-F211 PolarHBondContact O-N 3.32Å; T208-F211 PolarHBondContact O-N 3.46Å; Q209-F211 VanDerWaalsContact C-N 3.26Å; Q209-F211 PolarHBondContact O-N 2.83Å; F211-K213 VanDerWaalsContact C-N 3.29Å; F211-K213 PolarHBondContact O-N 2.8Å; F211-Q214 PolarHBondContact O-N 3.31Å; F211-V215 HydrophobicContact CD1-CG2 4.02Å; F211-V215 HydrophobicContact CD2-CG2 4.47Å; F211-V215 HydrophobicContact CE1-CG2 3.64Å; F211-V215 HydrophobicContact CE2-CG2 4.13Å; F211-V215 HydrophobicContact CG-CG2 4.42Å; F211-V215 HydrophobicContact CZ-CG2 3.7Å; F211-V215 WeakPolarHBondContact O-CB 3.06Å; F211-V215 WeakPolarHBondContact O-CG2 3.48Å; F211-V215 PolarHBondContact O-N 2.91Å |
| 212 | L | 74.8 | Confident | 73 | Confident | 36 Ų | 36 | 58.9 Ų | 58.9 | 19% | 0.188 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.9 | -40.1 | 179.7 | -71.3 | 173.5 | 0 | 0 | 0 | 111.9 | T139 T208 Q209 V215 W216 | T139-L212 HydrophobicContact CG2-CD1 4Å; T139-L212 HydrophobicContact CG2-CD2 3.8Å; T208-L212 PolarHBondContact O-N 3.16Å; T208-L212 VanDerWaalsContact O-N 3.17Å; Q209-L212 PolarHBondContact O-N 3Å; L212-V215 PolarHBondContact O-N 3.4Å; L212-W216 PolarHBondContact O-N 3.14Å |
| 213 | K | 75.6 | Confident | 75.2 | Confident | 4 Ų | 4 | 58 Ų | 58 | 2% | 0.017 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -70.7 | -44.6 | 179.9 | -68.4 | 157.5 | -168.6 | 163.8 | 0 | 110.5 | A168 L173 Q209 F210 F211 V215 W216 F217 | A168-K213 HydrophobicContact CB-CD 3.51Å; A168-K213 PolarHBondContact O-NZ 3.25Å; L173-K213 HydrophobicContact CD1-CD 4.39Å; L173-K213 HydrophobicContact CD1-CG 4.21Å; Q209-K213 WeakPolarHBondContact O-CB 3.34Å; Q209-K213 VanDerWaalsContact O-CD 3.29Å; Q209-K213 WeakPolarHBondContact O-CD 3.48Å; Q209-K213 WeakPolarHBondContact O-CG 3.32Å; Q209-K213 PolarHBondContact O-N 3.32Å; Q209-K213 VanDerWaalsContact O-N 3.15Å; Q209-K213 VanDerWaalsContact OE1-CE 3.26Å; F210-K213 PolarHBondContact O-N 3.35Å; F211-K213 VanDerWaalsContact C-N 3.29Å; F211-K213 PolarHBondContact O-N 2.8Å; K213-V215 VanDerWaalsContact C-N 3.33Å; K213-V215 PolarHBondContact O-N 3.01Å; K213-W216 PolarHBondContact O-N 3.02Å; K213-F217 WeakPolarHBondContact O-CD2 3.25Å; K213-F217 PolarHBondContact O-N 2.7Å |
| 214 | Q | 83.3 | Confident | 77.4 | Confident | 60 Ų | 60 | 59 Ų | 59 | 28% | 0.28 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.9 | -42.1 | 173.3 | -171.5 | -179.3 | 17.4 | 0 | 0 | 112.2 | F210 F211 F217 Q218 | F210-Q214 VanDerWaalsContact O-CB 3.25Å; F210-Q214 WeakPolarHBondContact O-CB 3.4Å; F210-Q214 PolarHBondContact O-N 2.86Å; F211-Q214 PolarHBondContact O-N 3.31Å; Q214-F217 PolarHBondContact O-N 3.06Å; Q214-Q218 WeakPolarHBondContact O-CB 3.39Å; Q214-Q218 VanDerWaalsContact O-CG 3.3Å; Q214-Q218 WeakPolarHBondContact O-CG 3.38Å; Q214-Q218 PolarHBondContact O-N 3.38Å |
| 215 | V | 84.7 | Confident | 79.3 | Confident | 43 Ų | 43 | 59.9 Ų | 59.9 | 26% | 0.261 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -67.3 | -38.3 | 176.9 | 168.7 | 0 | 0 | 0 | 0 | 111.7 | F211 L212 K213 Q218 N219 | F211-V215 HydrophobicContact CD1-CG2 4.02Å; F211-V215 HydrophobicContact CD2-CG2 4.47Å; F211-V215 HydrophobicContact CE1-CG2 3.64Å; F211-V215 HydrophobicContact CE2-CG2 4.13Å; F211-V215 HydrophobicContact CG-CG2 4.42Å; F211-V215 HydrophobicContact CZ-CG2 3.7Å; F211-V215 WeakPolarHBondContact O-CB 3.06Å; F211-V215 WeakPolarHBondContact O-CG2 3.48Å; F211-V215 PolarHBondContact O-N 2.91Å; L212-V215 PolarHBondContact O-N 3.4Å; K213-V215 VanDerWaalsContact C-N 3.33Å; K213-V215 PolarHBondContact O-N 3.01Å; V215-Q218 PolarHBondContact O-N 2.71Å; V215-N219 WeakPolarHBondContact CG1-ND2 3.4Å; V215-N219 WeakPolarHBondContact O-CB 3.39Å; V215-N219 PolarHBondContact O-N 3.23Å; V215-N219 PolarHBondContact O-ND2 3.25Å |
| 216 | W | 91.4 | Very high | 81.2 | Confident | 28 Ų | 28 | 66.3 Ų | 66.3 | 11% | 0.106 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.1 | -51.4 | 172.8 | -173.4 | 100.6 | 0 | 0 | 0 | 110.9 | F141 L149 F153 L212 K213 Q218 N219 R220 | F141-W216 AromaticContact CE2-CD1 3.83Å; F141-W216 HydrophobicContact CZ-CB 4.1Å; F141-W216 AromaticContact CZ-CD1 3.86Å; F141-W216 HydrophobicContact CZ-CG 4.33Å; L149-W216 VanDerWaalsContact C-CH2 3.5Å; L149-W216 HydrophobicContact CB-CD2 4.02Å; L149-W216 HydrophobicContact CB-CE3 4.06Å; L149-W216 HydrophobicContact CB-CH2 3.73Å; L149-W216 HydrophobicContact CB-CZ2 3.64Å; L149-W216 HydrophobicContact CB-CZ3 3.93Å; L149-W216 HydrophobicContact CD1-CD2 4.01Å; L149-W216 HydrophobicContact CD1-CG 3.99Å; L149-W216 HydrophobicContact CD2-CD2 4.46Å; L149-W216 HydrophobicContact CD2-CE3 4.32Å; L149-W216 HydrophobicContact CG-CD2 4.39Å; L149-W216 WeakPolarHBondContact O-CH2 3.26Å; L149-W216 WeakPolarHBondContact O-CZ3 3.19Å; F153-W216 HydrophobicContact CB-CH2 4.1Å; F153-W216 HydrophobicContact CB-CZ3 4.07Å; F153-W216 HydrophobicContact CD2-CZ3 4.43Å; L212-W216 PolarHBondContact O-N 3.14Å; K213-W216 PolarHBondContact O-N 3.02Å; W216-Q218 VanDerWaalsContact C-N 3.35Å; W216-Q218 PolarHBondContact O-N 2.93Å; W216-N219 PolarHBondContact O-N 2.86Å; W216-N219 VanDerWaalsContact O-N 3.14Å; W216-R220 HydrophobicContact CE3-CB 4.13Å; W216-R220 HydrophobicContact CH2-CB 3.94Å; W216-R220 HydrophobicContact CH2-CG 3.68Å; W216-R220 HydrophobicContact CZ2-CB 4.42Å; W216-R220 HydrophobicContact CZ2-CG 4.33Å; W216-R220 HydrophobicContact CZ3-CB 3.79Å; W216-R220 HydrophobicContact CZ3-CG 3.91Å; W216-R220 PolarHBondContact O-N 2.9Å |
| 217 | F | 92.5 | Very high | 82.5 | Confident | 4 Ų | 4 | 70.4 Ų | 70.4 | 2% | 0.018 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.3 | -36.6 | 179.7 | -87.6 | -83.8 | 0 | 0 | 0 | 113 | L149 A152 F153 P159 L167 K213 Q214 R221 | L149-F217 HydrophobicContact CD2-CE2 3.95Å; A152-F217 HydrophobicContact CB-CZ 4.02Å; F153-F217 HydrophobicContact CB-CE1 4.11Å; F153-F217 AromaticContact CD2-CD1 3.95Å; F153-F217 HydrophobicContact CD2-CD1 3.95Å; F153-F217 HydrophobicContact CD2-CE1 4.04Å; P159-F217 HydrophobicContact CG-CD1 3.8Å; P159-F217 HydrophobicContact CG-CD2 4.2Å; P159-F217 HydrophobicContact CG-CE1 3.59Å; P159-F217 HydrophobicContact CG-CE2 4.03Å; P159-F217 HydrophobicContact CG-CG 4.12Å; P159-F217 HydrophobicContact CG-CZ 3.73Å; L167-F217 HydrophobicContact CD1-CZ 4.47Å; K213-F217 WeakPolarHBondContact O-CD2 3.25Å; K213-F217 PolarHBondContact O-N 2.7Å; Q214-F217 PolarHBondContact O-N 3.06Å; F217-R221 WeakPolarHBondContact O-CG 3.45Å; F217-R221 PolarHBondContact O-N 3.32Å |
| 218 | Q | 90.1 | Very high | 83.4 | Confident | 96 Ų | 96 | 71 Ų | 71 | 45% | 0.449 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62 | -47 | 172 | -76.5 | 176 | 8.1 | 0 | 0 | 111.8 | Q214 V215 W216 R221 A222 | Q214-Q218 WeakPolarHBondContact O-CB 3.39Å; Q214-Q218 VanDerWaalsContact O-CG 3.3Å; Q214-Q218 WeakPolarHBondContact O-CG 3.38Å; Q214-Q218 PolarHBondContact O-N 3.38Å; V215-Q218 PolarHBondContact O-N 2.71Å; W216-Q218 VanDerWaalsContact C-N 3.35Å; W216-Q218 PolarHBondContact O-N 2.93Å; Q218-R221 PolarHBondContact O-N 3.28Å; Q218-A222 WeakPolarHBondContact O-CB 3.11Å; Q218-A222 PolarHBondContact O-N 2.89Å |
| 219 | N | 93.4 | Very high | 84.2 | Confident | 96 Ų | 96 | 76.9 Ų | 76.9 | 51% | 0.513 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65.8 | -38.1 | 178.2 | -77.9 | -60 | 0 | 0 | 0 | 112.5 | V215 W216 A222 K223 | V215-N219 WeakPolarHBondContact CG1-ND2 3.4Å; V215-N219 WeakPolarHBondContact O-CB 3.39Å; V215-N219 PolarHBondContact O-N 3.23Å; V215-N219 PolarHBondContact O-ND2 3.25Å; W216-N219 PolarHBondContact O-N 2.86Å; W216-N219 VanDerWaalsContact O-N 3.14Å; N219-A222 PolarHBondContact O-N 2.81Å; N219-K223 PolarHBondContact O-N 2.86Å |
| 220 | R | 94.2 | Very high | 84.7 | Confident | 78 Ų | 78 | 79.4 Ų | 79.4 | 29% | 0.294 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.4 | -47.4 | 175.9 | -171.7 | 68.4 | -165.8 | 179.3 | 5.5 | 111.2 | E150 F153 W216 A222 K223 W224 | E150-R220 VanDerWaalsContact CD-NE 3.29Å; E150-R220 IonicContact OE1-CZ 2.86Å; E150-R220 IonicContact OE1-NE 2.89Å; E150-R220 PolarHBondContact OE1-NE 3.47Å; E150-R220 IonicContact OE1-NH1 3.7Å; E150-R220 IonicContact OE1-NH2 2.77Å; E150-R220 PolarHBondContact OE1-NH2 3.35Å; E150-R220 WeakPolarHBondContact OE2-CD 3.44Å; E150-R220 IonicContact OE2-CZ 2.81Å; E150-R220 IonicContact OE2-NE 2.7Å; E150-R220 PolarHBondContact OE2-NE 2.68Å; E150-R220 IonicContact OE2-NH1 2.79Å; E150-R220 PolarHBondContact OE2-NH1 2.83Å; E150-R220 IonicContact OE2-NH2 3.28Å; E150-R220 PolarHBondContact OE2-NH2 2.8Å; F153-R220 HydrophobicContact CB-CG 4.41Å; F153-R220 HydrophobicContact CD1-CG 3.72Å; F153-R220 HydrophobicContact CD2-CB 4.09Å; F153-R220 HydrophobicContact CD2-CG 3.52Å; F153-R220 HydrophobicContact CE1-CG 3.78Å; F153-R220 HydrophobicContact CE2-CB 4.05Å; F153-R220 HydrophobicContact CE2-CG 3.59Å; F153-R220 HydrophobicContact CG-CG 3.6Å; F153-R220 HydrophobicContact CZ-CG 3.73Å; W216-R220 HydrophobicContact CE3-CB 4.13Å; W216-R220 HydrophobicContact CH2-CB 3.94Å; W216-R220 HydrophobicContact CH2-CG 3.68Å; W216-R220 HydrophobicContact CZ2-CB 4.42Å; W216-R220 HydrophobicContact CZ2-CG 4.33Å; W216-R220 HydrophobicContact CZ3-CB 3.79Å; W216-R220 HydrophobicContact CZ3-CG 3.91Å; W216-R220 PolarHBondContact O-N 2.9Å; R220-A222 VanDerWaalsContact C-N 3.3Å; R220-A222 PolarHBondContact O-N 3.2Å; R220-K223 PolarHBondContact O-N 3.05Å; R220-W224 PolarHBondContact O-N 3.41Å |
| 221 | R | 94.2 | Very high | 84.9 | Confident | 24 Ų | 24 | 83.3 Ų | 83.3 | 9% | 0.091 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -59.8 | -36.3 | 171.3 | -71.8 | -169.5 | -65.4 | -90.6 | 0.7 | 113.1 | F153 Q157 F217 Q218 W224 R225 | F153-R221 HydrophobicContact CE2-CG 3.72Å; F153-R221 HydrophobicContact CZ-CG 4.29Å; Q157-R221 WeakPolarHBondContact O-CD 3.46Å; Q157-R221 PolarHBondContact O-NH1 3.37Å; F217-R221 WeakPolarHBondContact O-CG 3.45Å; F217-R221 PolarHBondContact O-N 3.32Å; Q218-R221 PolarHBondContact O-N 3.28Å; R221-W224 PolarHBondContact O-N 3.48Å; R221-R225 WeakPolarHBondContact O-CG 3.5Å; R221-R225 PolarHBondContact O-N 3.04Å; R221-R225 PolarHBondContact O-NH1 3.17Å |
| 222 | A | 92.8 | Very high | 84.7 | Confident | 43 Ų | 43 | 83 Ų | 83 | 36% | 0.355 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -67 | -38.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q218 N219 R220 K226 | Q218-A222 WeakPolarHBondContact O-CB 3.11Å; Q218-A222 PolarHBondContact O-N 2.89Å; N219-A222 PolarHBondContact O-N 2.81Å; R220-A222 VanDerWaalsContact C-N 3.3Å; R220-A222 PolarHBondContact O-N 3.2Å; A222-K226 WeakPolarHBondContact O-CG 3.3Å; A222-K226 PolarHBondContact O-N 3.23Å |
| 223 | K | 92.2 | Very high | 83.5 | Confident | 151 Ų | 151 | 88 Ų | 88 | 66% | 0.657 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -66.7 | -45.8 | 171 | -74.8 | -172.5 | 173.8 | -170 | 0 | 112 | N219 R220 R225 K226 R227 | N219-K223 PolarHBondContact O-N 2.86Å; R220-K223 PolarHBondContact O-N 3.05Å; K223-R225 PolarHBondContact O-N 3.43Å; K223-K226 WeakPolarHBondContact O-CB 3.48Å; K223-K226 PolarHBondContact O-N 2.92Å; K223-R227 PolarHBondContact O-N 3.47Å; K223-R227 VanDerWaalsContact O-N 3.1Å |
| 224 | W | 90.8 | Very high | 82.2 | Confident | 94 Ų | 94 | 95.7 Ų | 95.7 | 36% | 0.356 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -55.8 | -53.8 | 179.3 | -177.8 | 72.9 | 0 | 0 | 0 | 111.4 | F153 Q157 R220 R221 K226 R227 E228 | F153-W224 HydrophobicContact CE1-CB 4.47Å; F153-W224 HydrophobicContact CZ-CB 4.11Å; F153-W224 HydrophobicContact CZ-CG 4.34Å; Q157-W224 VanDerWaalsContact NE2-CE2 3.3Å; R220-W224 PolarHBondContact O-N 3.41Å; R221-W224 PolarHBondContact O-N 3.48Å; W224-K226 PolarHBondContact O-N 3.4Å; W224-K226 VanDerWaalsContact O-N 3.08Å; W224-R227 WeakPolarHBondContact O-CB 3.39Å; W224-R227 PolarHBondContact O-N 2.9Å; W224-E228 HydrophobicContact CD2-CG 4.33Å; W224-E228 HydrophobicContact CH2-CG 4.31Å; W224-E228 HydrophobicContact CZ2-CG 4.01Å; W224-E228 PolarHBondContact O-N 3.37Å |
| 225 | R | 90.5 | Very high | 80.5 | Confident | 109 Ų | 109 | 97.4 Ų | 97.4 | 41% | 0.411 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.4 | -18.1 | 176.6 | -63.3 | -172.1 | -146 | 99.1 | -10.1 | 114.9 | Y158 R221 K223 K229 | Y158-R225 PolarHBondContact OH-NH2 3.46Å; R221-R225 WeakPolarHBondContact O-CG 3.5Å; R221-R225 PolarHBondContact O-N 3.04Å; R221-R225 PolarHBondContact O-NH1 3.17Å; K223-R225 PolarHBondContact O-N 3.43Å; R225-K229 WeakPolarHBondContact O-CG 3.25Å |
| 226 | K | 89.1 | Confident | 78.5 | Confident | 160 Ų | 160 | 98.3 Ų | 98.3 | 70% | 0.696 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -80.5 | -35.3 | 171.5 | -78 | -173.4 | 175.3 | -164.2 | 0 | 112 | A222 K223 W224 K229 A230 | A222-K226 WeakPolarHBondContact O-CG 3.3Å; A222-K226 PolarHBondContact O-N 3.23Å; K223-K226 WeakPolarHBondContact O-CB 3.48Å; K223-K226 PolarHBondContact O-N 2.92Å; W224-K226 PolarHBondContact O-N 3.4Å; W224-K226 VanDerWaalsContact O-N 3.08Å; K226-K229 PolarHBondContact O-N 2.94Å; K226-A230 PolarHBondContact O-N 3.01Å |
| 227 | R | 85.6 | Confident | 76.3 | Confident | 170 Ų | 170 | 106.2 Ų | 106.2 | 64% | 0.642 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.4 | -48.2 | 174.7 | 179.8 | 176.6 | -78.2 | -176 | -7.9 | 111.2 | K223 W224 K229 A230 L231 | K223-R227 PolarHBondContact O-N 3.47Å; K223-R227 VanDerWaalsContact O-N 3.1Å; W224-R227 WeakPolarHBondContact O-CB 3.39Å; W224-R227 PolarHBondContact O-N 2.9Å; R227-K229 VanDerWaalsContact C-N 3.26Å; R227-K229 PolarHBondContact O-N 2.82Å; R227-A230 PolarHBondContact O-N 3.14Å; R227-L231 HydrophobicContact CG-CD1 4.04Å; R227-L231 WeakPolarHBondContact O-CD1 3.5Å; R227-L231 PolarHBondContact O-N 3.34Å; R227-L231 VanDerWaalsContact O-N 3.12Å |
| 228 | E | 77.1 | Confident | 74 | Confident | 97 Ų | 97 | 112.5 Ų | 112.5 | 45% | 0.453 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -54 | -43.6 | 177 | -57.4 | -53.2 | 110.2 | 0 | 0 | 112.1 | W224 A230 L231 G232 | W224-E228 HydrophobicContact CD2-CG 4.33Å; W224-E228 HydrophobicContact CH2-CG 4.31Å; W224-E228 HydrophobicContact CZ2-CG 4.01Å; W224-E228 PolarHBondContact O-N 3.37Å; E228-A230 VanDerWaalsContact C-N 3.33Å; E228-A230 PolarHBondContact O-N 3.49Å; E228-L231 PolarHBondContact O-N 3.37Å; E228-G232 PolarHBondContact O-N 3.16Å |
| 229 | K | 76.4 | Confident | 71.8 | Confident | 167 Ų | 167 | 116 Ų | 116 | 73% | 0.726 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -69.1 | -26.7 | 178.1 | -73 | -173 | 174.4 | -158.2 | 0 | 114.2 | R225 K226 R227 | R225-K229 WeakPolarHBondContact O-CG 3.25Å; K226-K229 PolarHBondContact O-N 2.94Å; R227-K229 VanDerWaalsContact C-N 3.26Å; R227-K229 PolarHBondContact O-N 2.82Å |
| 230 | A | 74.4 | Confident | 69.2 | Low | 74 Ų | 74 | 119.9 Ų | 119.9 | 61% | 0.612 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -79.4 | -31.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | K226 R227 E228 | K226-A230 PolarHBondContact O-N 3.01Å; R227-A230 PolarHBondContact O-N 3.14Å; E228-A230 VanDerWaalsContact C-N 3.33Å; E228-A230 PolarHBondContact O-N 3.49Å |
| 231 | L | 70.4 | Confident | 66.4 | Low | 142 Ų | 142 | 119.5 Ų | 119.5 | 74% | 0.743 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -83 | -20.5 | 173.5 | -84.5 | 72.4 | 0 | 0 | 0 | 112.8 | R227 E228 | R227-L231 HydrophobicContact CG-CD1 4.04Å; R227-L231 WeakPolarHBondContact O-CD1 3.5Å; R227-L231 PolarHBondContact O-N 3.34Å; R227-L231 VanDerWaalsContact O-N 3.12Å; E228-L231 PolarHBondContact O-N 3.37Å |
| 232 | G | 64.3 | Low | 63.7 | Low | 68 Ų | 68 | 121.8 Ų | 121.8 | 70% | 0.701 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -93.8 | 5.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116 | E228 | E228-G232 PolarHBondContact O-N 3.16Š|
| 233 | H | 50.2 | Low | 60.9 | Low | 139 Ų | 139 | 128.4 Ų | 128.4 | 64% | 0.644 | 67% | 0.674 | S | S | * | * | trans | -131.1 | 75.4 | -178.6 | -170.4 | 56.8 | 0 | 0 | 0 | 112 | ||||
| 234 | E | 48.2 | Very low | 58.7 | Low | 166 Ų | 166 | 127.8 Ų | 127.8 | 78% | 0.776 | 68% | 0.682 | S | S | * | * | trans | -53.5 | 128.7 | 149.6 | -75.2 | -63.4 | 118.8 | 0 | 0 | 108.3 | G236 | E234-G236 VanDerWaalsContact C-N 3.28Å; E234-G236 PolarHBondContact O-N 3.4Å | ||
| 235 | P | 48.4 | Very low | 56.4 | Low | 97 Ų | 97 | 128.6 Ų | 128.6 | 63% | 0.63 | 70% | 0.698 | S | S | * | * | trans | -72.9 | 85.8 | 178.5 | 29.6 | -33.4 | 0 | 0 | 0 | 109.4 | F237 | P235-F237 PolarHBondContact O-N 2.95Š| ||
| 236 | G | 42.1 | Very low | 54.2 | Low | 62 Ų | 62 | 132.4 Ų | 132.4 | 64% | 0.639 | 72% | 0.72 | S | S | * | * | trans | -56.9 | 98.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | E234 I238 | E234-G236 VanDerWaalsContact C-N 3.28Å; E234-G236 PolarHBondContact O-N 3.4Å; G236-I238 PolarHBondContact O-N 2.83Å | ||
| 237 | F | 44.9 | Very low | 51.7 | Low | 193 Ų | 193 | 128.1 Ų | 128.1 | 85% | 0.846 | 72% | 0.722 | S | S | * | * | trans | -63.8 | 116.7 | -178.8 | -136.3 | -94.1 | 0 | 0 | 0 | 109.2 | P235 H239 | P235-F237 PolarHBondContact O-N 2.95Å; F237-H239 VanDerWaalsContact C-N 3.31Å; F237-H239 PolarHBondContact O-N 3.47Å | ||
| 238 | I | 44.5 | Very low | 49.5 | Very low | 136 Ų | 136 | 124.7 Ų | 124.7 | 70% | 0.697 | 73% | 0.73 | S | S | * | * | trans | -71 | 87.9 | 180 | -64.4 | -69.5 | 0 | 0 | 0 | 108.7 | G236 Q240 | G236-I238 PolarHBondContact O-N 2.83Å; I238-Q240 HydrophobicContact CG2-CG 3.88Å; I238-Q240 PolarHBondContact O-N 2.85Å | ||
| 239 | H | 44.2 | Very low | 47.5 | Very low | 171 Ų | 171 | 130.2 Ų | 130.2 | 79% | 0.792 | 75% | 0.748 | S | S | * | * | trans | -85 | 92 | 169.7 | -132.7 | -66.3 | 0 | 0 | 0 | 108.9 | F237 G241 | F237-H239 VanDerWaalsContact C-N 3.31Å; F237-H239 PolarHBondContact O-N 3.47Å; H239-G241 PolarHBondContact O-N 2.89Å | ||
| 240 | Q | 39.6 | Very low | 45.7 | Very low | 177 Ų | 177 | 130.6 Ų | 130.6 | 83% | 0.827 | 75% | 0.752 | S | S | * | * | trans | -70.2 | 83.2 | 170 | -75.7 | 174.1 | 2 | 0 | 0 | 109.6 | I238 G242 | I238-Q240 HydrophobicContact CG2-CG 3.88Å; I238-Q240 PolarHBondContact O-N 2.85Å; Q240-G242 PolarHBondContact O-N 3.18Å | ||
| 241 | G | 34.7 | Very low | 43.8 | Very low | 69 Ų | 69 | 135 Ų | 135 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | trans | -79.2 | 100.6 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | H239 | H239-G241 PolarHBondContact O-N 2.89Š| ||
| 242 | G | 37.3 | Very low | 42.5 | Very low | 72 Ų | 72 | 134.1 Ų | 134.1 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | trans | -66.5 | 139.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q240 V244 | Q240-G242 PolarHBondContact O-N 3.18Å; G242-V244 PolarHBondContact O-N 2.87Å | ||
| 243 | E | 35.1 | Very low | 41.3 | Very low | 182 Ų | 182 | 134.9 Ų | 134.9 | 85% | 0.85 | 76% | 0.763 | S | S | * | * | trans | -68.3 | 113.6 | 176.1 | -177.6 | -175.5 | 142.3 | 0 | 0 | 111.1 | ||||
| 244 | V | 45.4 | Very low | 40.6 | Very low | 138 Ų | 138 | 132.9 Ų | 132.9 | 84% | 0.836 | 77% | 0.77 | S | S | * | * | trans | -136.9 | 104.5 | 163.9 | -176.6 | 0 | 0 | 0 | 0 | 109.4 | G242 | G242-V244 PolarHBondContact O-N 2.87Š| ||
| 245 | T | 42.7 | Very low | 40.2 | Very low | 111 Ų | 111 | 132.3 Ų | 132.3 | 68% | 0.681 | 78% | 0.778 | S | S | * | * | trans | -79.9 | 121 | 171.3 | -50.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 246 | Q | 43.3 | Very low | 39.8 | Very low | 189 Ų | 189 | 131.8 Ų | 131.8 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | trans | 176.1 | 140.7 | 140.5 | -99.4 | 157.6 | 36.9 | 0 | 0 | 114.4 | ||||
| 247 | G | 37 | Very low | 39.2 | Very low | 71 Ų | 71 | 137.9 Ų | 137.9 | 73% | 0.732 | 79% | 0.786 | S | S | * | * | 72.9 | 88.2 | 117.6 | 0 | 0 | 0 | 0 | 0 | 121 | |||||
| 248 | A | 39.7 | Very low | 39 | Very low | 97 Ų | 97 | 139.9 Ų | 139.9 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | trans | 68.1 | 152.4 | 135.4 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 249 | Y | 34.8 | Very low | 38.9 | Very low | 214 Ų | 214 | 137.8 Ų | 137.8 | 84% | 0.839 | 78% | 0.783 | S | S | * | * | trans | -49.6 | 137.1 | 174.2 | -50.5 | -100.6 | 0 | 0 | 0 | 115 | ||||
| 250 | Q | 38.5 | Very low | 38.5 | Very low | 175 Ų | 175 | 135.9 Ų | 135.9 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | -171.1 | 148.5 | 103.6 | -146 | 70.2 | -12.9 | 0 | 0 | 111.6 | |||||
| 251 | H | 34.9 | Very low | 38.9 | Very low | 166 Ų | 166 | 134.6 Ų | 134.6 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | trans | -81.6 | 154.1 | 161.9 | -127.3 | -64.3 | 0 | 0 | 0 | 109.1 | ||||
| 252 | P | 42.9 | Very low | 39.2 | Very low | 123 Ų | 123 | 137.8 Ų | 137.8 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | -144.2 | -156.5 | 88.6 | 39 | -21.6 | 0 | 0 | 0 | 113 | |||||
| 253 | A | 39 | Very low | 39.3 | Very low | 85 Ų | 85 | 137.2 Ų | 137.2 | 70% | 0.702 | 78% | 0.782 | S | S | * | * | trans | -105.2 | 162 | -168.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 254 | A | 35.1 | Very low | 39.6 | Very low | 96 Ų | 96 | 140.1 Ų | 140.1 | 79% | 0.793 | 79% | 0.786 | S | S | * | * | trans | 21.5 | 127.6 | 152.9 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 255 | V | 41.2 | Very low | 39.5 | Very low | 155 Ų | 155 | 141.5 Ų | 141.5 | 94% | 0.939 | 79% | 0.787 | S | S | * | * | trans | -162 | 164.7 | 130.2 | 131.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 256 | A | 38.4 | Very low | 39.2 | Very low | 85 Ų | 85 | 144 Ų | 144 | 70% | 0.702 | 80% | 0.797 | S | S | * | * | trans | -79.3 | 154.8 | -161.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 257 | Y | 30.5 | Very low | 39.1 | Very low | 191 Ų | 191 | 139.2 Ų | 139.2 | 75% | 0.749 | 79% | 0.789 | S | S | * | * | trans | 37.4 | 119.4 | 131.5 | -171.3 | -88.3 | 0 | 0 | 0 | 119.9 | ||||
| 258 | R | 39.6 | Very low | 39.2 | Very low | 234 Ų | 234 | 143 Ų | 143 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | -161.4 | 140.6 | 129.6 | -84.4 | -124.9 | 167.7 | -161.2 | -5.8 | 112.2 | |||||
| 259 | P | 43 | Very low | 39 | Very low | 92 Ų | 92 | 141.8 Ų | 141.8 | 60% | 0.597 | 79% | 0.794 | S | S | * | * | trans | -104.8 | -174.7 | 169.8 | 40.6 | -34.6 | 0 | 0 | 0 | 113 | ||||
| 260 | D | 37 | Very low | 39.3 | Very low | 131 Ų | 131 | 136 Ų | 136 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | trans | 93.1 | 116.9 | 165.2 | -165 | 21.3 | 0 | 0 | 0 | 118.7 | V262 | D260-V262 WeakPolarHBondContact OD1-CG2 3.29Å; D260-V262 PolarHBondContact OD1-N 3.33Å | ||
| 261 | V | 46.1 | Very low | 39.3 | Very low | 151 Ų | 151 | 137.2 Ų | 137.2 | 92% | 0.915 | 79% | 0.794 | S | S | * | * | trans | -146.9 | 98.8 | 148.6 | -172.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 262 | V | 42.1 | Very low | 39.5 | Very low | 135 Ų | 135 | 133.9 Ų | 133.9 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -102.9 | 132.7 | 172.6 | 170.2 | 0 | 0 | 0 | 0 | 111.9 | D260 | D260-V262 WeakPolarHBondContact OD1-CG2 3.29Å; D260-V262 PolarHBondContact OD1-N 3.33Å | ||
| 263 | G | 38.8 | Very low | 39.4 | Very low | 60 Ų | 60 | 132.7 Ų | 132.7 | 62% | 0.619 | 78% | 0.783 | S | S | * | * | trans | 133.7 | 139.7 | 137.3 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 264 | R | 41.1 | Very low | 39.9 | Very low | 244 Ų | 244 | 135 Ų | 135 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | trans | 71.2 | 141.6 | 162.7 | -56 | 179.4 | 175.8 | -168.9 | -2.6 | 114.6 | ||||
| 265 | L | 43.3 | Very low | 40.3 | Very low | 167 Ų | 167 | 135.9 Ų | 135.9 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | cis | -131 | 150.5 | 33 | -74.4 | 155.4 | 0 | 0 | 0 | 114.4 | ||||
| 266 | N | 36.5 | Very low | 40.4 | Very low | 164 Ų | 164 | 134.5 Ų | 134.5 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | trans | -96.6 | 146.6 | 161.5 | -80.7 | -22.2 | 0 | 0 | 0 | 109.4 | ||||
| 267 | A | 40.9 | Very low | 40.2 | Very low | 88 Ų | 88 | 134 Ų | 134 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | 158.7 | 159.4 | 109.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 268 | V | 40.7 | Very low | 40.6 | Very low | 151 Ų | 151 | 130.3 Ų | 130.3 | 92% | 0.915 | 79% | 0.793 | S | S | * | * | trans | 68 | 117.5 | 163.7 | -164.4 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 269 | G | 35.2 | Very low | 40.7 | Very low | 70 Ų | 70 | 122.9 Ų | 122.9 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | trans | 142.5 | 81.8 | 138.3 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 270 | A | 40.6 | Very low | 40.7 | Very low | 92 Ų | 92 | 122.8 Ų | 122.8 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | trans | 67.2 | 126.4 | 147.8 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 271 | F | 38.9 | Very low | 41 | Very low | 202 Ų | 202 | 120.4 Ų | 120.4 | 89% | 0.886 | 78% | 0.778 | S | S | * | * | trans | 56.3 | 147.6 | 148.4 | 109.4 | -80.1 | 0 | 0 | 0 | 120 | ||||
| 272 | S | 39.6 | Very low | 40.9 | Very low | 95 Ų | 95 | 116.8 Ų | 116.8 | 66% | 0.664 | 76% | 0.764 | S | S | * | * | cis | -158.4 | 159.1 | -25.3 | -169.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 273 | S | 41 | Very low | 41.1 | Very low | 98 Ų | 98 | 112.4 Ų | 112.4 | 69% | 0.685 | 74% | 0.741 | S | S | * | * | trans | 47.2 | 102.2 | 170.2 | 52.7 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 274 | V | 49.5 | Very low | 41.5 | Very low | 134 Ų | 134 | 115.7 Ų | 115.7 | 81% | 0.812 | 74% | 0.744 | S | S | * | * | 64.9 | 126.8 | 57.7 | -178.9 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 275 | P | 42.2 | Very low | 42.1 | Very low | 115 Ų | 115 | 110.1 Ų | 110.1 | 75% | 0.747 | 73% | 0.733 | S | S | * | * | cis | -138.1 | -135.6 | -15.8 | 44.2 | -22.6 | 0 | 0 | 0 | 113.6 | ||||
| 276 | P | 42.8 | Very low | 42.1 | Very low | 125 Ų | 125 | 104.7 Ų | 104.7 | 81% | 0.812 | 71% | 0.711 | S | S | * | * | trans | -118.7 | 168.5 | -135.6 | 34.5 | -11.5 | 0 | 0 | 0 | 116.6 | ||||
| 277 | G | 35.3 | Very low | 42.4 | Very low | 74 Ų | 74 | 99.2 Ų | 99.2 | 76% | 0.763 | 69% | 0.689 | S | S | * | * | trans | -148.5 | 49.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | A279 | G277-A279 VanDerWaalsContact C-N 3.32Å; G277-A279 PolarHBondContact O-N 3.08Å | ||
| 278 | A | 38.3 | Very low | 42.7 | Very low | 115 Ų | 115 | 97.2 Ų | 97.2 | 95% | 0.95 | 67% | 0.673 | S | S | * | * | trans | -76.5 | 75 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 279 | A | 41.3 | Very low | 43 | Very low | 77 Ų | 77 | 92.3 Ų | 92.3 | 64% | 0.636 | 65% | 0.648 | S | S | * | * | trans | -142.6 | 136.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | G277 | G277-A279 VanDerWaalsContact C-N 3.32Å; G277-A279 PolarHBondContact O-N 3.08Å | ||
| 280 | T | 44.3 | Very low | 43.3 | Very low | 91 Ų | 91 | 94.1 Ų | 94.1 | 56% | 0.558 | 64% | 0.641 | S | S | * | * | trans | 57.7 | 78.7 | 148.9 | 55.7 | 0 | 0 | 0 | 0 | 119.2 | A282 A283 | T280-A282 PolarHBondContact O-N 3.43Å; T280-A283 HydrophobicContact CG2-CB 4.41Å; T280-A283 PolarHBondContact O-N 3.48Å; T280-A283 VanDerWaalsContact O-N 3.09Å; T280-A283 VanDerWaalsContact OG1-CB 3.27Å; T280-A283 WeakPolarHBondContact OG1-CB 3.37Å | ||
| 281 | A | 43.2 | Very low | 43.7 | Very low | 81 Ų | 81 | 92.9 Ų | 92.9 | 67% | 0.669 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -55.7 | -30.7 | 153.7 | 0 | 0 | 0 | 0 | 0 | 112 | A283 L284 | A281-A283 VanDerWaalsContact C-N 3.3Å; A281-A283 PolarHBondContact O-N 3.37Å; A281-L284 PolarHBondContact O-N 2.86Å |
| 282 | A | 44 | Very low | 44.2 | Very low | 75 Ų | 75 | 88.6 Ų | 88.6 | 62% | 0.62 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -62.5 | -30.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114 | T280 L284 N285 A286 | T280-A282 PolarHBondContact O-N 3.43Å; A282-L284 VanDerWaalsContact C-N 3.33Å; A282-L284 PolarHBondContact O-N 3.42Å; A282-N285 PolarHBondContact O-N 2.99Å; A282-A286 PolarHBondContact O-N 3.33Å |
| 283 | A | 45.2 | Very low | 44.4 | Very low | 42 Ų | 42 | 93.5 Ų | 93.5 | 35% | 0.347 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -73.1 | -26 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | T280 A281 A286 A287 | T280-A283 HydrophobicContact CG2-CB 4.41Å; T280-A283 PolarHBondContact O-N 3.48Å; T280-A283 VanDerWaalsContact O-N 3.09Å; T280-A283 VanDerWaalsContact OG1-CB 3.27Å; T280-A283 WeakPolarHBondContact OG1-CB 3.37Å; A281-A283 VanDerWaalsContact C-N 3.3Å; A281-A283 PolarHBondContact O-N 3.37Å; A283-A286 PolarHBondContact O-N 3.32Å; A283-A287 WeakPolarHBondContact O-CB 3.3Å; A283-A287 PolarHBondContact O-N 2.93Å |
| 284 | L | 48.6 | Very low | 44.6 | Very low | 130 Ų | 130 | 92.2 Ų | 92.2 | 68% | 0.681 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -65.9 | -39 | 175.2 | -62.6 | 175.7 | 0 | 0 | 0 | 111.4 | A281 A282 A288 | A281-L284 PolarHBondContact O-N 2.86Å; A282-L284 VanDerWaalsContact C-N 3.33Å; A282-L284 PolarHBondContact O-N 3.42Å; L284-A288 WeakPolarHBondContact O-CB 3.42Å; L284-A288 PolarHBondContact O-N 3.44Å |
| 285 | N | 52 | Low | 44.6 | Very low | 127 Ų | 127 | 89.5 Ų | 89.5 | 68% | 0.679 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -72.4 | -36.1 | 174.9 | -75.3 | -15.1 | 0 | 0 | 0 | 112.6 | A282 A288 A289 | A282-N285 PolarHBondContact O-N 2.99Å; N285-A288 PolarHBondContact O-N 3.23Å; N285-A289 PolarHBondContact O-N 3.15Å; N285-A289 VanDerWaalsContact O-N 3.1Å |
| 286 | A | 44.1 | Very low | 44.9 | Very low | 52 Ų | 52 | 87.6 Ų | 87.6 | 43% | 0.43 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -63.7 | -49 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | A282 A283 A288 A289 D290 | A282-A286 PolarHBondContact O-N 3.33Å; A283-A286 PolarHBondContact O-N 3.32Å; A286-A288 VanDerWaalsContact C-N 3.28Å; A286-A288 PolarHBondContact O-N 3.05Å; A286-A289 WeakPolarHBondContact O-CB 3.43Å; A286-A289 PolarHBondContact O-N 2.96Å; A286-A289 VanDerWaalsContact O-N 3.07Å; A286-D290 PolarHBondContact O-N 2.84Å |
| 287 | A | 42.9 | Very low | 45.2 | Very low | 50 Ų | 50 | 86.8 Ų | 86.8 | 41% | 0.413 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -60.6 | -34.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A283 S291 | A283-A287 WeakPolarHBondContact O-CB 3.3Å; A283-A287 PolarHBondContact O-N 2.93Å; A287-S291 WeakPolarHBondContact O-CB 3.42Å; A287-S291 PolarHBondContact O-N 2.86Å; A287-S291 PolarHBondContact O-OG 3.27Å |
| 288 | A | 46.1 | Very low | 45.9 | Very low | 46 Ų | 46 | 85.6 Ų | 85.6 | 38% | 0.38 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.2 | -42.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L284 N285 A286 S291 I292 | L284-A288 WeakPolarHBondContact O-CB 3.42Å; L284-A288 PolarHBondContact O-N 3.44Å; N285-A288 PolarHBondContact O-N 3.23Å; A286-A288 VanDerWaalsContact C-N 3.28Å; A286-A288 PolarHBondContact O-N 3.05Å; A288-S291 PolarHBondContact O-N 2.99Å; A288-I292 WeakPolarHBondContact O-CG1 3.41Å; A288-I292 PolarHBondContact O-N 3.46Å |
| 289 | A | 47.1 | Very low | 46.4 | Very low | 48 Ų | 48 | 82.7 Ų | 82.7 | 40% | 0.397 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.5 | -50.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | N285 A286 S291 I292 W293 | N285-A289 PolarHBondContact O-N 3.15Å; N285-A289 VanDerWaalsContact O-N 3.1Å; A286-A289 WeakPolarHBondContact O-CB 3.43Å; A286-A289 PolarHBondContact O-N 2.96Å; A286-A289 VanDerWaalsContact O-N 3.07Å; A289-S291 VanDerWaalsContact C-N 3.26Å; A289-S291 PolarHBondContact O-N 3.18Å; A289-I292 PolarHBondContact O-N 2.92Å; A289-I292 VanDerWaalsContact O-N 3.15Å; A289-W293 VanDerWaalsContact O-CD1 3.26Å; A289-W293 PolarHBondContact O-N 3.36Å; A289-W293 VanDerWaalsContact O-N 3.14Å |
| 290 | D | 42.1 | Very low | 46.8 | Very low | 108 Ų | 108 | 81.7 Ų | 81.7 | 58% | 0.578 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.4 | -31.4 | 176.6 | -74.9 | -35.2 | 0 | 0 | 0 | 112.3 | A286 S294 | A286-D290 PolarHBondContact O-N 2.84Å; D290-S294 WeakPolarHBondContact O-CB 3.44Å; D290-S294 PolarHBondContact O-N 3.27Å; D290-S294 PolarHBondContact O-OG 3.02Å |
| 291 | S | 50.3 | Low | 47.2 | Very low | 66 Ų | 66 | 82.9 Ų | 82.9 | 46% | 0.462 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.7 | -38.3 | 173.4 | -64.9 | 0 | 0 | 0 | 0 | 112.5 | A287 A288 A289 S295 | A287-S291 WeakPolarHBondContact O-CB 3.42Å; A287-S291 PolarHBondContact O-N 2.86Å; A287-S291 PolarHBondContact O-OG 3.27Å; A288-S291 PolarHBondContact O-N 2.99Å; A289-S291 VanDerWaalsContact C-N 3.26Å; A289-S291 PolarHBondContact O-N 3.18Å; S291-S295 WeakPolarHBondContact O-CB 3.5Å; S291-S295 PolarHBondContact O-N 2.91Å; S291-S295 PolarHBondContact O-OG 2.84Å |
| 292 | I | 48.8 | Very low | 47.9 | Very low | 111 Ų | 111 | 83.5 Ų | 83.5 | 57% | 0.569 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67 | -41.7 | 176.9 | -69.9 | 163 | 0 | 0 | 0 | 110.8 | A288 A289 S296 | A288-I292 WeakPolarHBondContact O-CG1 3.41Å; A288-I292 PolarHBondContact O-N 3.46Å; A289-I292 PolarHBondContact O-N 2.92Å; A289-I292 VanDerWaalsContact O-N 3.15Å; I292-S296 WeakPolarHBondContact O-CB 3.48Å; I292-S296 PolarHBondContact O-N 3.37Å; I292-S296 PolarHBondContact O-OG 2.83Å |
| 293 | W | 42.6 | Very low | 48.6 | Very low | 199 Ų | 199 | 84.5 Ų | 84.5 | 75% | 0.754 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -73.1 | -39.5 | 178 | -73.8 | 63.7 | 0 | 0 | 0 | 111.7 | A289 S296 L297 | A289-W293 VanDerWaalsContact O-CD1 3.26Å; A289-W293 PolarHBondContact O-N 3.36Å; A289-W293 VanDerWaalsContact O-N 3.14Å; W293-S296 PolarHBondContact O-N 3.48Å; W293-L297 VanDerWaalsContact O-CB 3.29Å; W293-L297 WeakPolarHBondContact O-CB 3.14Å; W293-L297 PolarHBondContact O-N 3.08Å |
| 294 | S | 45.5 | Very low | 49.3 | Very low | 71 Ų | 71 | 87 Ų | 87 | 50% | 0.497 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.6 | -40.7 | 173.1 | -61.3 | 0 | 0 | 0 | 0 | 112 | D290 L297 A298 | D290-S294 WeakPolarHBondContact O-CB 3.44Å; D290-S294 PolarHBondContact O-N 3.27Å; D290-S294 PolarHBondContact O-OG 3.02Å; S294-L297 PolarHBondContact O-N 3.47Å; S294-A298 WeakPolarHBondContact O-CB 3.45Å; S294-A298 PolarHBondContact O-N 3.06Å |
| 295 | S | 49.4 | Very low | 50.4 | Low | 77 Ų | 77 | 86 Ų | 86 | 54% | 0.538 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.4 | -41.3 | 174 | -61.4 | 0 | 0 | 0 | 0 | 111.6 | S291 A299 | S291-S295 WeakPolarHBondContact O-CB 3.5Å; S291-S295 PolarHBondContact O-N 2.91Å; S291-S295 PolarHBondContact O-OG 2.84Å; S295-A299 VanDerWaalsContact O-CB 3.23Å; S295-A299 WeakPolarHBondContact O-CB 3.41Å; S295-A299 PolarHBondContact O-N 3.46Å |
| 296 | S | 48.9 | Very low | 51.2 | Low | 74 Ų | 74 | 84.2 Ų | 84.2 | 52% | 0.517 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.7 | -37.3 | 176 | -58.6 | 0 | 0 | 0 | 0 | 112.3 | I292 W293 A300 | I292-S296 WeakPolarHBondContact O-CB 3.48Å; I292-S296 PolarHBondContact O-N 3.37Å; I292-S296 PolarHBondContact O-OG 2.83Å; W293-S296 PolarHBondContact O-N 3.48Å; S296-A300 VanDerWaalsContact O-CB 3.3Å; S296-A300 WeakPolarHBondContact O-CB 3.46Å; S296-A300 PolarHBondContact O-N 3.21Å |
| 297 | L | 50.2 | Low | 52.3 | Low | 109 Ų | 109 | 84.9 Ų | 84.9 | 57% | 0.571 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -72 | -40.8 | 176.9 | -174.3 | 63.7 | 0 | 0 | 0 | 111.7 | W293 S294 A300 Q301 | W293-L297 VanDerWaalsContact O-CB 3.29Å; W293-L297 WeakPolarHBondContact O-CB 3.14Å; W293-L297 PolarHBondContact O-N 3.08Å; S294-L297 PolarHBondContact O-N 3.47Å; L297-A300 PolarHBondContact O-N 2.9Å; L297-Q301 WeakPolarHBondContact O-CB 3.48Å; L297-Q301 WeakPolarHBondContact O-CG 3.49Å; L297-Q301 PolarHBondContact O-N 3.1Å |
| 298 | A | 48.5 | Very low | 53.2 | Low | 48 Ų | 48 | 85.5 Ų | 85.5 | 40% | 0.397 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.8 | -44.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | S294 A300 Q301 V302 | S294-A298 WeakPolarHBondContact O-CB 3.45Å; S294-A298 PolarHBondContact O-N 3.06Å; A298-A300 VanDerWaalsContact C-N 3.34Å; A298-A300 PolarHBondContact O-N 3.49Å; A298-Q301 CarbonylContact O-C 3.58Å; A298-Q301 PolarHBondContact O-N 3.04Å; A298-Q301 VanDerWaalsContact O-N 3.16Å; A298-V302 WeakPolarHBondContact O-CG2 3.22Å; A298-V302 PolarHBondContact O-N 3.3Å |
| 299 | A | 50 | Low | 54.3 | Low | 54 Ų | 54 | 87.7 Ų | 87.7 | 45% | 0.446 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.4 | -41.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | S295 Q301 V302 V303 | S295-A299 VanDerWaalsContact O-CB 3.23Å; S295-A299 WeakPolarHBondContact O-CB 3.41Å; S295-A299 PolarHBondContact O-N 3.46Å; A299-Q301 VanDerWaalsContact C-N 3.34Å; A299-Q301 PolarHBondContact O-N 2.89Å; A299-V302 PolarHBondContact O-N 3.19Å; A299-V303 WeakPolarHBondContact O-CG2 3.42Å; A299-V303 PolarHBondContact O-N 3.18Å |
| 300 | A | 49.3 | Very low | 55.3 | Low | 56 Ų | 56 | 92.1 Ų | 92.1 | 46% | 0.463 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.5 | -36.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | S296 L297 A298 N304 | S296-A300 VanDerWaalsContact O-CB 3.3Å; S296-A300 WeakPolarHBondContact O-CB 3.46Å; S296-A300 PolarHBondContact O-N 3.21Å; L297-A300 PolarHBondContact O-N 2.9Å; A298-A300 VanDerWaalsContact C-N 3.34Å; A298-A300 PolarHBondContact O-N 3.49Å; A300-N304 VanDerWaalsContact O-CB 3.22Å; A300-N304 WeakPolarHBondContact O-CB 3.19Å; A300-N304 PolarHBondContact O-N 3.26Å |
| 301 | Q | 52.2 | Low | 56.7 | Low | 117 Ų | 117 | 90.7 Ų | 90.7 | 55% | 0.547 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.5 | -44.3 | 171.9 | -77.3 | -174.1 | -4.7 | 0 | 0 | 111.6 | L297 A298 A299 N304 L305 | L297-Q301 WeakPolarHBondContact O-CB 3.48Å; L297-Q301 WeakPolarHBondContact O-CG 3.49Å; L297-Q301 PolarHBondContact O-N 3.1Å; A298-Q301 CarbonylContact O-C 3.58Å; A298-Q301 PolarHBondContact O-N 3.04Å; A298-Q301 VanDerWaalsContact O-N 3.16Å; A299-Q301 VanDerWaalsContact C-N 3.34Å; A299-Q301 PolarHBondContact O-N 2.89Å; Q301-N304 CarbonylContact O-C 3.56Å; Q301-N304 WeakPolarHBondContact O-CB 3.47Å; Q301-N304 PolarHBondContact O-N 3.49Å; Q301-N304 VanDerWaalsContact O-N 3.16Å; Q301-L305 WeakPolarHBondContact O-CB 3.48Å; Q301-L305 WeakPolarHBondContact O-CD1 3.31Å; Q301-L305 PolarHBondContact O-N 3.05Å |
| 302 | V | 57.7 | Low | 57.5 | Low | 94 Ų | 94 | 90.8 Ų | 90.8 | 57% | 0.57 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.6 | -45 | 176.4 | 170.2 | 0 | 0 | 0 | 0 | 111.2 | A298 A299 N304 L305 Q306 | A298-V302 WeakPolarHBondContact O-CG2 3.22Å; A298-V302 PolarHBondContact O-N 3.3Å; A299-V302 PolarHBondContact O-N 3.19Å; V302-N304 VanDerWaalsContact C-N 3.3Å; V302-N304 PolarHBondContact O-N 3.44Å; V302-L305 PolarHBondContact O-N 3Å; V302-Q306 VanDerWaalsContact O-CB 3.31Å; V302-Q306 WeakPolarHBondContact O-CB 3.36Å; V302-Q306 PolarHBondContact O-N 3.18Å |
| 303 | V | 59.2 | Low | 58.6 | Low | 96 Ų | 96 | 90.5 Ų | 90.5 | 58% | 0.582 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64 | -36.2 | 175.3 | 173.9 | 0 | 0 | 0 | 0 | 111.3 | A299 S307 | A299-V303 WeakPolarHBondContact O-CG2 3.42Å; A299-V303 PolarHBondContact O-N 3.18Å; V303-S307 WeakPolarHBondContact O-CB 3.19Å; V303-S307 PolarHBondContact O-N 3.12Å; V303-S307 PolarHBondContact O-OG 3.1Å |
| 304 | N | 60.5 | Low | 59.6 | Low | 94 Ų | 94 | 83.5 Ų | 83.5 | 50% | 0.503 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -69.5 | -41.3 | 175.1 | -170.6 | 43.4 | 0 | 0 | 0 | 112.4 | A300 Q301 V302 S307 L308 | A300-N304 VanDerWaalsContact O-CB 3.22Å; A300-N304 WeakPolarHBondContact O-CB 3.19Å; A300-N304 PolarHBondContact O-N 3.26Å; Q301-N304 CarbonylContact O-C 3.56Å; Q301-N304 WeakPolarHBondContact O-CB 3.47Å; Q301-N304 PolarHBondContact O-N 3.49Å; Q301-N304 VanDerWaalsContact O-N 3.16Å; V302-N304 VanDerWaalsContact C-N 3.3Å; V302-N304 PolarHBondContact O-N 3.44Å; N304-S307 PolarHBondContact O-N 2.96Å; N304-L308 WeakPolarHBondContact O-CB 3.45Å; N304-L308 WeakPolarHBondContact O-CG 3.46Å; N304-L308 PolarHBondContact O-N 3.47Å |
| 305 | L | 70.1 | Confident | 60.7 | Low | 110 Ų | 110 | 82.2 Ų | 82.2 | 58% | 0.576 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -66.1 | -42.4 | 174.4 | -95 | 76.2 | 0 | 0 | 0 | 111.4 | Q301 V302 S307 L308 M309 | Q301-L305 WeakPolarHBondContact O-CB 3.48Å; Q301-L305 WeakPolarHBondContact O-CD1 3.31Å; Q301-L305 PolarHBondContact O-N 3.05Å; V302-L305 PolarHBondContact O-N 3Å; L305-S307 VanDerWaalsContact C-N 3.33Å; L305-S307 PolarHBondContact O-N 3.45Å; L305-L308 CarbonylContact O-C 3.56Å; L305-L308 PolarHBondContact O-N 2.74Å; L305-M309 WeakPolarHBondContact O-CB 3.36Å; L305-M309 PolarHBondContact O-N 3Å |
| 306 | Q | 69.3 | Low | 61.3 | Low | 88 Ų | 88 | 82.2 Ų | 82.2 | 41% | 0.411 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.1 | -40.9 | 174.9 | -166.3 | 67.1 | 34.9 | 0 | 0 | 111.2 | V302 M309 Y310 | V302-Q306 VanDerWaalsContact O-CB 3.31Å; V302-Q306 WeakPolarHBondContact O-CB 3.36Å; V302-Q306 PolarHBondContact O-N 3.18Å; Q306-M309 PolarHBondContact O-N 3.2Å; Q306-Y310 HydrophobicContact CG-CD2 4.13Å; Q306-Y310 HydrophobicContact CG-CE2 4.13Å; Q306-Y310 WeakPolarHBondContact O-CD2 3.45Å; Q306-Y310 PolarHBondContact O-N 3.19Å |
| 307 | S | 67 | Low | 61.9 | Low | 66 Ų | 66 | 81.5 Ų | 81.5 | 46% | 0.462 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.2 | -40.4 | 174.1 | -57 | 0 | 0 | 0 | 0 | 111.9 | V303 N304 L305 L311 | V303-S307 WeakPolarHBondContact O-CB 3.19Å; V303-S307 PolarHBondContact O-N 3.12Å; V303-S307 PolarHBondContact O-OG 3.1Å; N304-S307 PolarHBondContact O-N 2.96Å; L305-S307 VanDerWaalsContact C-N 3.33Å; L305-S307 PolarHBondContact O-N 3.45Å; S307-L311 VanDerWaalsContact O-CB 3.25Å; S307-L311 WeakPolarHBondContact O-CB 3.32Å; S307-L311 PolarHBondContact O-N 3.43Å |
| 308 | L | 62.9 | Low | 62.4 | Low | 63 Ų | 63 | 80 Ų | 80 | 33% | 0.33 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -66.7 | -38.4 | 174 | -84 | 161 | 0 | 0 | 0 | 112.2 | N304 L305 L311 N312 | N304-L308 WeakPolarHBondContact O-CB 3.45Å; N304-L308 WeakPolarHBondContact O-CG 3.46Å; N304-L308 PolarHBondContact O-N 3.47Å; L305-L308 CarbonylContact O-C 3.56Å; L305-L308 PolarHBondContact O-N 2.74Å; L308-L311 PolarHBondContact O-N 2.81Å; L308-N312 VanDerWaalsContact O-CB 3.26Å; L308-N312 WeakPolarHBondContact O-CB 3.35Å; L308-N312 VanDerWaalsContact O-CG 3.28Å; L308-N312 PolarHBondContact O-N 3.3Å |
| 309 | M | 69.2 | Low | 62.7 | Low | 92 Ų | 92 | 81 Ų | 81 | 45% | 0.453 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64 | -47.9 | 176.2 | -168 | -159.2 | 80.1 | 0 | 0 | 110.7 | L305 Q306 N312 Q313 | L305-M309 WeakPolarHBondContact O-CB 3.36Å; L305-M309 PolarHBondContact O-N 3Å; Q306-M309 PolarHBondContact O-N 3.2Å; M309-N312 PolarHBondContact O-N 3.48Å; M309-Q313 VanDerWaalsContact O-CB 3.29Å; M309-Q313 WeakPolarHBondContact O-CB 3.41Å; M309-Q313 PolarHBondContact O-N 2.81Å |
| 310 | Y | 67.3 | Low | 63.1 | Low | 142 Ų | 142 | 84.7 Ų | 84.7 | 56% | 0.557 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -64.1 | -39.2 | 174.8 | -86.4 | -64.1 | 0 | 0 | 0 | 112.7 | Q306 Q313 A314 | Q306-Y310 HydrophobicContact CG-CD2 4.13Å; Q306-Y310 HydrophobicContact CG-CE2 4.13Å; Q306-Y310 WeakPolarHBondContact O-CD2 3.45Å; Q306-Y310 PolarHBondContact O-N 3.19Å; Y310-Q313 PolarHBondContact O-N 3.47Å; Y310-A314 WeakPolarHBondContact O-CB 3.44Å; Y310-A314 PolarHBondContact O-N 3.11Å |
| 311 | L | 71.6 | Confident | 63.7 | Low | 78 Ų | 78 | 86.3 Ų | 86.3 | 41% | 0.408 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -68 | -40.4 | 177.3 | -172.1 | 64.9 | 0 | 0 | 0 | 111.9 | L188 S307 L308 A314 T315 | L188-L311 HydrophobicContact CD1-CD2 4.09Å; L188-L311 HydrophobicContact CD2-CD2 4.4Å; S307-L311 VanDerWaalsContact O-CB 3.25Å; S307-L311 WeakPolarHBondContact O-CB 3.32Å; S307-L311 PolarHBondContact O-N 3.43Å; L308-L311 PolarHBondContact O-N 2.81Å; L311-A314 PolarHBondContact O-N 2.72Å; L311-T315 VanDerWaalsContact O-CB 3.3Å; L311-T315 WeakPolarHBondContact O-CB 3.4Å; L311-T315 PolarHBondContact O-N 2.81Å; L311-T315 PolarHBondContact O-OG1 3.06Å |
| 312 | N | 68.1 | Low | 63.9 | Low | 68 Ų | 68 | 84 Ų | 84 | 36% | 0.364 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.1 | -41.5 | 172.9 | -77.5 | -8.4 | 0 | 0 | 0 | 111.1 | L308 M309 T315 L316 | L308-N312 VanDerWaalsContact O-CB 3.26Å; L308-N312 WeakPolarHBondContact O-CB 3.35Å; L308-N312 VanDerWaalsContact O-CG 3.28Å; L308-N312 PolarHBondContact O-N 3.3Å; M309-N312 PolarHBondContact O-N 3.48Å; N312-T315 PolarHBondContact O-N 3.48Å; N312-L316 WeakPolarHBondContact O-CB 3.49Å; N312-L316 VanDerWaalsContact O-CG 3.31Å; N312-L316 WeakPolarHBondContact O-CG 3.39Å; N312-L316 PolarHBondContact O-N 2.73Å |
| 313 | Q | 72.2 | Confident | 63.3 | Low | 105 Ų | 105 | 82.8 Ų | 82.8 | 49% | 0.491 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.5 | -41.7 | 177.1 | -171.5 | 168.2 | 61.3 | 0 | 0 | 111.9 | M309 Y310 T315 L316 A317 | M309-Q313 VanDerWaalsContact O-CB 3.29Å; M309-Q313 WeakPolarHBondContact O-CB 3.41Å; M309-Q313 PolarHBondContact O-N 2.81Å; Y310-Q313 PolarHBondContact O-N 3.47Å; Q313-T315 VanDerWaalsContact C-N 3.34Å; Q313-L316 PolarHBondContact O-N 3.28Å; Q313-A317 WeakPolarHBondContact O-CB 3.21Å; Q313-A317 PolarHBondContact O-N 2.77Å |
| 314 | A | 63.6 | Low | 63.1 | Low | 52 Ų | 52 | 83.7 Ų | 83.7 | 43% | 0.43 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.9 | -36.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y310 L311 S318 | Y310-A314 WeakPolarHBondContact O-CB 3.44Å; Y310-A314 PolarHBondContact O-N 3.11Å; L311-A314 PolarHBondContact O-N 2.72Å; A314-S318 WeakPolarHBondContact O-CB 3.37Å; A314-S318 PolarHBondContact O-N 2.91Å; A314-S318 PolarHBondContact O-OG 3.4Å |
| 315 | T | 66.7 | Low | 62.7 | Low | 44 Ų | 44 | 84.8 Ų | 84.8 | 27% | 0.27 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.3 | -43.4 | 176.2 | -57.8 | 0 | 0 | 0 | 0 | 111.4 | L311 N312 Q313 S318 I319 | L311-T315 VanDerWaalsContact O-CB 3.3Å; L311-T315 WeakPolarHBondContact O-CB 3.4Å; L311-T315 PolarHBondContact O-N 2.81Å; L311-T315 PolarHBondContact O-OG1 3.06Å; N312-T315 PolarHBondContact O-N 3.48Å; Q313-T315 VanDerWaalsContact C-N 3.34Å; T315-S318 WeakPolarHBondContact O-CB 3.24Å; T315-S318 PolarHBondContact O-N 2.99Å; T315-I319 HydrophobicContact CG2-CD1 4.03Å; T315-I319 VanDerWaalsContact O-CG1 3.3Å; T315-I319 WeakPolarHBondContact O-CG1 3.35Å; T315-I319 PolarHBondContact O-N 3.36Å |
| 316 | L | 63.9 | Low | 61.8 | Low | 76 Ų | 76 | 83.8 Ų | 83.8 | 40% | 0.398 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.2 | -43.5 | 174.4 | -73.4 | 168.4 | 0 | 0 | 0 | 111.5 | N312 Q313 S318 I319 H320 | N312-L316 WeakPolarHBondContact O-CB 3.49Å; N312-L316 VanDerWaalsContact O-CG 3.31Å; N312-L316 WeakPolarHBondContact O-CG 3.39Å; N312-L316 PolarHBondContact O-N 2.73Å; Q313-L316 PolarHBondContact O-N 3.28Å; L316-S318 VanDerWaalsContact C-N 3.29Å; L316-S318 PolarHBondContact O-N 2.79Å; L316-I319 PolarHBondContact O-N 2.98Å; L316-H320 PolarHBondContact O-CD2 3.29Å; L316-H320 PolarHBondContact O-N 2.93Å |
| 317 | A | 61.4 | Low | 61.2 | Low | 60 Ų | 60 | 81.8 Ų | 81.8 | 50% | 0.496 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.5 | -39.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112 | Q313 H320 A321 | Q313-A317 WeakPolarHBondContact O-CB 3.21Å; Q313-A317 PolarHBondContact O-N 2.77Å; A317-H320 PolarHBondContact O-N 3.36Å; A317-A321 VanDerWaalsContact O-CB 3.29Å; A317-A321 WeakPolarHBondContact O-CB 3.38Å; A317-A321 PolarHBondContact O-N 3.06Å |
| 318 | S | 59.8 | Low | 60.7 | Low | 76 Ų | 76 | 82.1 Ų | 82.1 | 53% | 0.531 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.9 | -37.5 | 175.8 | -56 | 0 | 0 | 0 | 0 | 112.6 | A314 T315 L316 A321 S322 | A314-S318 WeakPolarHBondContact O-CB 3.37Å; A314-S318 PolarHBondContact O-N 2.91Å; A314-S318 PolarHBondContact O-OG 3.4Å; T315-S318 WeakPolarHBondContact O-CB 3.24Å; T315-S318 PolarHBondContact O-N 2.99Å; L316-S318 VanDerWaalsContact C-N 3.29Å; L316-S318 PolarHBondContact O-N 2.79Å; S318-A321 PolarHBondContact O-N 2.91Å; S318-S322 WeakPolarHBondContact O-CB 3.44Å; S318-S322 PolarHBondContact O-N 3.36Å |
| 319 | I | 54.8 | Low | 60.5 | Low | 69 Ų | 69 | 82.6 Ų | 82.6 | 35% | 0.354 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.5 | -47.2 | 175.2 | -70.4 | 163.7 | 0 | 0 | 0 | 110.1 | T315 L316 A321 S322 | T315-I319 HydrophobicContact CG2-CD1 4.03Å; T315-I319 VanDerWaalsContact O-CG1 3.3Å; T315-I319 WeakPolarHBondContact O-CG1 3.35Å; T315-I319 PolarHBondContact O-N 3.36Å; L316-I319 PolarHBondContact O-N 2.98Å; I319-A321 VanDerWaalsContact C-N 3.32Å; I319-A321 PolarHBondContact O-N 3.46Å; I319-S322 PolarHBondContact O-N 3.03Å; I319-S322 VanDerWaalsContact O-N 3.09Å; I319-S322 PolarHBondContact O-OG 3.2Å |
| 320 | H | 59 | Low | 60 | Low | 133 Ų | 133 | 83.2 Ų | 83.2 | 62% | 0.616 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60.9 | -39.8 | 174.9 | -78.6 | -131.1 | 0 | 0 | 0 | 111.9 | L316 A317 S322 G323 | L316-H320 PolarHBondContact O-CD2 3.29Å; L316-H320 PolarHBondContact O-N 2.93Å; A317-H320 PolarHBondContact O-N 3.36Å; H320-S322 VanDerWaalsContact C-N 3.27Å; H320-S322 PolarHBondContact O-N 3.34Å; H320-G323 PolarHBondContact O-N 3.48Å |
| 321 | A | 60.7 | Low | 59.9 | Low | 89 Ų | 89 | 81.9 Ų | 81.9 | 74% | 0.736 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -68.6 | -21.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | A317 S318 I319 | A317-A321 VanDerWaalsContact O-CB 3.29Å; A317-A321 WeakPolarHBondContact O-CB 3.38Å; A317-A321 PolarHBondContact O-N 3.06Å; S318-A321 PolarHBondContact O-N 2.91Å; I319-A321 VanDerWaalsContact C-N 3.32Å; I319-A321 PolarHBondContact O-N 3.46Å |
| 322 | S | 57.6 | Low | 59.1 | Low | 68 Ų | 68 | 83.4 Ų | 83.4 | 48% | 0.476 | 52% | 0.522 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -3.1 | 178.9 | 71.2 | 0 | 0 | 0 | 0 | 114.8 | S318 I319 H320 L324 | S318-S322 WeakPolarHBondContact O-CB 3.44Å; S318-S322 PolarHBondContact O-N 3.36Å; I319-S322 PolarHBondContact O-N 3.03Å; I319-S322 VanDerWaalsContact O-N 3.09Å; I319-S322 PolarHBondContact O-OG 3.2Å; H320-S322 VanDerWaalsContact C-N 3.27Å; H320-S322 PolarHBondContact O-N 3.34Å; S322-L324 PolarHBondContact O-N 3.45Å |
| 323 | G | 45.4 | Very low | 58.9 | Low | 69 Ų | 69 | 87.7 Ų | 87.7 | 71% | 0.711 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.1 | 14.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | H320 | H320-G323 PolarHBondContact O-N 3.48Š|
| 324 | L | 54 | Low | 58.7 | Low | 115 Ų | 115 | 90.8 Ų | 90.8 | 60% | 0.602 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 145.3 | 174.4 | -72.4 | 171.3 | 0 | 0 | 0 | 110.5 | S322 | S322-L324 PolarHBondContact O-N 3.45Š|
| 325 | P | 52.1 | Low | 58.7 | Low | 118 Ų | 118 | 90.4 Ų | 90.4 | 77% | 0.766 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 143.9 | 176.6 | 26.1 | -34.6 | 0 | 0 | 0 | 110.5 | ||
| 326 | A | 52.2 | Low | 58.2 | Low | 88 Ų | 88 | 91.3 Ų | 91.3 | 73% | 0.727 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -55 | 144.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 327 | A | 55 | Low | 57.9 | Low | 47 Ų | 47 | 96.2 Ų | 96.2 | 39% | 0.388 | 58% | 0.582 | S | S | . | * | P | Polyproline II helix | trans | -54.7 | 144.9 | 175 | 0 | 0 | 0 | 0 | 0 | 110.7 | W331 | A327-W331 HydrophobicContact CB-CB 4.24Å; A327-W331 HydrophobicContact CB-CD2 3.91Å; A327-W331 HydrophobicContact CB-CE3 3.56Å; A327-W331 HydrophobicContact CB-CG 4.21Å; A327-W331 HydrophobicContact CB-CZ3 4.26Å |
| 328 | S | 58.1 | Low | 57.6 | Low | 72 Ų | 72 | 100.4 Ų | 100.4 | 50% | 0.503 | 60% | 0.596 | S | S | . | * | P | Polyproline II helix | trans | -56.4 | 152.4 | -174.9 | 63 | 0 | 0 | 0 | 0 | 112.3 | D330 W331 Q332 | S328-D330 PolarHBondContact O-N 2.9Å; S328-D330 VanDerWaalsContact O-N 3.14Å; S328-W331 WeakPolarHBondContact O-CA 3.46Å; S328-W331 WeakPolarHBondContact O-CB 3.4Å; S328-W331 PolarHBondContact O-N 3.02Å; S328-Q332 PolarHBondContact O-N 2.9Å |
| 329 | A | 57.7 | Low | 57.2 | Low | 73 Ų | 73 | 99.4 Ų | 99.4 | 60% | 0.603 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -53.8 | -36.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | W331 Q332 M333 | A329-W331 VanDerWaalsContact C-N 3.34Å; A329-W331 PolarHBondContact O-N 3.43Å; A329-Q332 PolarHBondContact O-N 3.02Å; A329-M333 WeakPolarHBondContact O-CB 3.49Å; A329-M333 PolarHBondContact O-N 3.37Å |
| 330 | D | 58.7 | Low | 56.7 | Low | 105 Ų | 105 | 98.8 Ų | 98.8 | 56% | 0.561 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -60.5 | -38.9 | 173.3 | -63.2 | -56.4 | 0 | 0 | 0 | 113.5 | S328 K334 | S328-D330 PolarHBondContact O-N 2.9Å; S328-D330 VanDerWaalsContact O-N 3.14Å; D330-K334 WeakPolarHBondContact O-CB 3.41Å; D330-K334 WeakPolarHBondContact O-CD 3.39Å; D330-K334 VanDerWaalsContact O-CG 3.23Å; D330-K334 WeakPolarHBondContact O-CG 3.37Å; D330-K334 PolarHBondContact O-N 3.37Å; D330-K334 VanDerWaalsContact O-N 3.13Å |
| 331 | W | 66.2 | Low | 56.4 | Low | 115 Ų | 115 | 97.6 Ų | 97.6 | 44% | 0.436 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -72.5 | -40.4 | 177.7 | -170.9 | 97.2 | 0 | 0 | 0 | 110.7 | A327 S328 A329 K334 N335 | A327-W331 HydrophobicContact CB-CB 4.24Å; A327-W331 HydrophobicContact CB-CD2 3.91Å; A327-W331 HydrophobicContact CB-CE3 3.56Å; A327-W331 HydrophobicContact CB-CG 4.21Å; A327-W331 HydrophobicContact CB-CZ3 4.26Å; S328-W331 WeakPolarHBondContact O-CA 3.46Å; S328-W331 WeakPolarHBondContact O-CB 3.4Å; S328-W331 PolarHBondContact O-N 3.02Å; A329-W331 VanDerWaalsContact C-N 3.34Å; A329-W331 PolarHBondContact O-N 3.43Å; W331-K334 PolarHBondContact O-N 2.9Å; W331-N335 VanDerWaalsContact CE2-ND2 3.32Å; W331-N335 HydrophobicContact CE3-CB 4.45Å; W331-N335 HydrophobicContact CH2-CB 4.36Å; W331-N335 HydrophobicContact CZ3-CB 4.25Å; W331-N335 WeakPolarHBondContact O-CB 3.38Å; W331-N335 PolarHBondContact O-N 3.17Å; W331-N335 VanDerWaalsContact O-N 3.11Å; W331-N335 PolarHBondContact O-ND2 3.14Å |
| 332 | Q | 53.3 | Low | 55.8 | Low | 109 Ų | 109 | 100.8 Ų | 100.8 | 51% | 0.509 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -63.9 | -46.7 | 174.7 | -70 | -164.7 | -34.6 | 0 | 0 | 111.7 | S328 A329 K334 N335 A336 | S328-Q332 PolarHBondContact O-N 2.9Å; A329-Q332 PolarHBondContact O-N 3.02Å; Q332-K334 VanDerWaalsContact C-N 3.35Å; Q332-K334 PolarHBondContact O-N 3.01Å; Q332-N335 CarbonylContact O-C 3.56Å; Q332-N335 PolarHBondContact O-N 3.25Å; Q332-A336 WeakPolarHBondContact O-CB 3.24Å; Q332-A336 PolarHBondContact O-N 3.29Å |
| 333 | M | 64.6 | Low | 55.5 | Low | 159 Ų | 159 | 100.9 Ų | 100.9 | 78% | 0.783 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -58.1 | -44.1 | 175.7 | -84.6 | -167.6 | 162 | 0 | 0 | 112.4 | A329 N335 A336 | A329-M333 WeakPolarHBondContact O-CB 3.49Å; A329-M333 PolarHBondContact O-N 3.37Å; M333-N335 VanDerWaalsContact C-N 3.29Å; M333-N335 PolarHBondContact O-N 2.88Å; M333-A336 PolarHBondContact O-N 2.91Å |
| 334 | K | 68 | Low | 55.5 | Low | 170 Ų | 170 | 104 Ų | 104 | 74% | 0.739 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -69.4 | -24 | -179.6 | -72.5 | 167.3 | -173.6 | 166.4 | 0 | 113.7 | D330 W331 Q332 | D330-K334 WeakPolarHBondContact O-CB 3.41Å; D330-K334 WeakPolarHBondContact O-CD 3.39Å; D330-K334 VanDerWaalsContact O-CG 3.23Å; D330-K334 WeakPolarHBondContact O-CG 3.37Å; D330-K334 PolarHBondContact O-N 3.37Å; D330-K334 VanDerWaalsContact O-N 3.13Å; W331-K334 PolarHBondContact O-N 2.9Å; Q332-K334 VanDerWaalsContact C-N 3.35Å; Q332-K334 PolarHBondContact O-N 3.01Å |
| 335 | N | 62.7 | Low | 55.1 | Low | 43 Ų | 43 | 105.8 Ų | 105.8 | 23% | 0.23 | 59% | 0.591 | C | S | . | * | H | α-helix | trans | -106.4 | 2.1 | 179.6 | -67.5 | -81.2 | 0 | 0 | 0 | 114 | W331 Q332 M333 L337 L338 V339 | W331-N335 VanDerWaalsContact CE2-ND2 3.32Å; W331-N335 HydrophobicContact CE3-CB 4.45Å; W331-N335 HydrophobicContact CH2-CB 4.36Å; W331-N335 HydrophobicContact CZ3-CB 4.25Å; W331-N335 WeakPolarHBondContact O-CB 3.38Å; W331-N335 PolarHBondContact O-N 3.17Å; W331-N335 VanDerWaalsContact O-N 3.11Å; W331-N335 PolarHBondContact O-ND2 3.14Å; Q332-N335 CarbonylContact O-C 3.56Å; Q332-N335 PolarHBondContact O-N 3.25Å; M333-N335 VanDerWaalsContact C-N 3.29Å; M333-N335 PolarHBondContact O-N 2.88Å; N335-L337 PolarHBondContact O-N 3.3Å; N335-L337 VanDerWaalsContact O-N 3.08Å; N335-L338 PolarHBondContact O-N 2.96Å; N335-V339 PolarHBondContact O-N 3.29Å; N335-V339 VanDerWaalsContact O-N 3.13Å |
| 336 | A | 56.8 | Low | 54.8 | Low | 63 Ų | 63 | 107 Ų | 107 | 52% | 0.521 | 59% | 0.59 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -58.7 | -24.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q332 M333 | Q332-A336 WeakPolarHBondContact O-CB 3.24Å; Q332-A336 PolarHBondContact O-N 3.29Å; M333-A336 PolarHBondContact O-N 2.91Å |
| 337 | L | 57 | Low | 54.5 | Low | 179 Ų | 179 | 109.1 Ų | 109.1 | 94% | 0.937 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -13.7 | 174.7 | -66.1 | 173.4 | 0 | 0 | 0 | 114 | N335 | N335-L337 PolarHBondContact O-N 3.3Å; N335-L337 VanDerWaalsContact O-N 3.08Å |
| 338 | L | 55.5 | Low | 54.2 | Low | 149 Ų | 149 | 110.6 Ų | 110.6 | 78% | 0.78 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | -23.5 | 173.8 | -108.8 | 70.3 | 0 | 0 | 0 | 112.6 | N335 S340 | N335-L338 PolarHBondContact O-N 2.96Å; L338-S340 PolarHBondContact O-N 3.48Å |
| 339 | V | 51.1 | Low | 53.7 | Low | 54 Ų | 54 | 112.9 Ų | 112.9 | 33% | 0.327 | 61% | 0.61 | S | S | . | * | S | Bend | trans | -81.9 | 112.4 | 176.2 | 178.4 | 0 | 0 | 0 | 0 | 109.3 | N335 | N335-V339 PolarHBondContact O-N 3.29Å; N335-V339 VanDerWaalsContact O-N 3.13Å |
| 340 | S | 45.2 | Very low | 52.7 | Low | 57 Ų | 57 | 112.9 Ų | 112.9 | 40% | 0.399 | 62% | 0.617 | S | S | . | * | trans | -56 | 134.7 | 175.8 | 174.7 | 0 | 0 | 0 | 0 | 111.1 | L338 Q342 T343 | L338-S340 PolarHBondContact O-N 3.48Å; S340-Q342 PolarHBondContact O-N 3.06Å; S340-T343 WeakPolarHBondContact O-CB 3.49Å; S340-T343 PolarHBondContact O-N 3.43Å; S340-T343 PolarHBondContact O-OG1 3.29Å | ||
| 341 | P | 52 | Low | 51.8 | Low | 107 Ų | 107 | 112.6 Ų | 112.6 | 70% | 0.695 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.2 | -25 | 178.3 | -28.2 | 35.5 | 0 | 0 | 0 | 114.5 | T343 H344 | P341-T343 PolarHBondContact O-N 3.02Å; P341-H344 PolarHBondContact O-N 3.49Å; P341-H344 VanDerWaalsContact O-N 3.14Å |
| 342 | Q | 49.4 | Very low | 50.2 | Low | 157 Ų | 157 | 110.7 Ų | 110.7 | 73% | 0.734 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -59.8 | -25.7 | 175.8 | -69.2 | 175.9 | -28.1 | 0 | 0 | 112.9 | S340 H344 Q345 | S340-Q342 PolarHBondContact O-N 3.06Å; Q342-H344 VanDerWaalsContact C-N 3.28Å; Q342-H344 PolarHBondContact O-N 3.38Å; Q342-Q345 PolarHBondContact O-N 3.45Å |
| 343 | T | 51.4 | Low | 49.5 | Very low | 70 Ų | 70 | 112.3 Ų | 112.3 | 43% | 0.429 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -68.8 | -24.3 | 178.6 | -26.5 | 0 | 0 | 0 | 0 | 112.8 | S340 P341 | S340-T343 WeakPolarHBondContact O-CB 3.49Å; S340-T343 PolarHBondContact O-N 3.43Å; S340-T343 PolarHBondContact O-OG1 3.29Å; P341-T343 PolarHBondContact O-N 3.02Å |
| 344 | H | 45.2 | Very low | 48.3 | Very low | 133 Ų | 133 | 114 Ų | 114 | 62% | 0.616 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -84.9 | -29.8 | 178 | -89.6 | -91.8 | 0 | 0 | 0 | 113.6 | P341 Q342 L346 M347 | P341-H344 PolarHBondContact O-N 3.49Å; P341-H344 VanDerWaalsContact O-N 3.14Å; Q342-H344 VanDerWaalsContact C-N 3.28Å; Q342-H344 PolarHBondContact O-N 3.38Å; H344-L346 VanDerWaalsContact C-N 3.34Å; H344-L346 PolarHBondContact O-N 3.24Å; H344-M347 WeakPolarHBondContact O-CB 3.24Å; H344-M347 PolarHBondContact O-N 3.47Å; H344-M347 VanDerWaalsContact O-N 3.11Å |
| 345 | Q | 45.8 | Very low | 46.8 | Very low | 154 Ų | 154 | 110.2 Ų | 110.2 | 72% | 0.72 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -63.7 | -37.9 | -177.4 | -69.9 | -115.6 | 31.7 | 0 | 0 | 112.5 | Q342 M347 A348 | Q342-Q345 PolarHBondContact O-N 3.45Å; Q345-M347 PolarHBondContact O-N 3.09Å; Q345-A348 PolarHBondContact O-N 3.23Å |
| 346 | L | 44.7 | Very low | 45.4 | Very low | 142 Ų | 142 | 117.2 Ų | 117.2 | 74% | 0.743 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -70.1 | -15.5 | 176.3 | -86 | 165.3 | 0 | 0 | 0 | 114.3 | H344 | H344-L346 VanDerWaalsContact C-N 3.34Å; H344-L346 PolarHBondContact O-N 3.24Å |
| 347 | M | 46.7 | Very low | 44.5 | Very low | 133 Ų | 133 | 118.6 Ų | 118.6 | 66% | 0.655 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -85.6 | -18.8 | 177.4 | -61.2 | -78.8 | -85.1 | 0 | 0 | 112.2 | H344 Q345 | H344-M347 WeakPolarHBondContact O-CB 3.24Å; H344-M347 PolarHBondContact O-N 3.47Å; H344-M347 VanDerWaalsContact O-N 3.11Å; Q345-M347 PolarHBondContact O-N 3.09Å |
| 348 | A | 48.8 | Very low | 43.7 | Very low | 79 Ų | 79 | 114.7 Ų | 114.7 | 65% | 0.653 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -84.7 | -23.2 | -176 | 0 | 0 | 0 | 0 | 0 | 114 | Q345 G350 | Q345-A348 PolarHBondContact O-N 3.23Å; A348-G350 VanDerWaalsContact C-N 3.34Å; A348-G350 PolarHBondContact O-N 3.13Å |
| 349 | T | 47.8 | Very low | 42.9 | Very low | 119 Ų | 119 | 115.6 Ų | 115.6 | 73% | 0.73 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | 11.9 | -174.1 | 55.3 | 0 | 0 | 0 | 0 | 114.3 | ||
| 350 | G | 35.4 | Very low | 42.3 | Very low | 73 Ų | 73 | 118.6 Ų | 118.6 | 75% | 0.753 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.8 | -10.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | A348 | A348-G350 VanDerWaalsContact C-N 3.34Å; A348-G350 PolarHBondContact O-N 3.13Å |
| 351 | A | 40 | Very low | 41.9 | Very low | 99 Ų | 99 | 120.7 Ų | 120.7 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | trans | -135.3 | 105.1 | -175 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 352 | G | 32.7 | Very low | 41.3 | Very low | 76 Ų | 76 | 124.2 Ų | 124.2 | 78% | 0.784 | 76% | 0.756 | S | S | * | * | trans | -168.7 | 26 | -169.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | Q354 | G352-Q354 PolarHBondContact O-N 3.29Š| ||
| 353 | T | 38.2 | Very low | 40.8 | Very low | 142 Ų | 142 | 121.3 Ų | 121.3 | 87% | 0.871 | 75% | 0.753 | S | S | * | * | trans | -73.6 | 92.8 | 169.4 | 48.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 354 | Q | 39.2 | Very low | 40 | Very low | 196 Ų | 196 | 128.3 Ų | 128.3 | 92% | 0.916 | 78% | 0.778 | S | S | * | * | trans | -148 | 148 | 162.9 | -127.3 | 164.8 | 95 | 0 | 0 | 111.2 | G352 | G352-Q354 PolarHBondContact O-N 3.29Š| ||
| 355 | A | 36.7 | Very low | 39.6 | Very low | 89 Ų | 89 | 125.6 Ų | 125.6 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | trans | -83.5 | 153.6 | -163.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | A357 | A355-A357 PolarHBondContact O-N 3.05Å; A355-A357 VanDerWaalsContact O-N 3.1Å | ||
| 356 | L | 35 | Very low | 39.2 | Very low | 191 Ų | 191 | 127.5 Ų | 127.5 | 100% | 1 | 80% | 0.795 | S | S | * | * | trans | -65.4 | 102 | 157.4 | -79.7 | 156.1 | 0 | 0 | 0 | 108.9 | ||||
| 357 | A | 37.8 | Very low | 38.9 | Very low | 92 Ų | 92 | 126 Ų | 126 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | trans | -130.9 | 144 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | A355 | A355-A357 PolarHBondContact O-N 3.05Å; A355-A357 VanDerWaalsContact O-N 3.1Å | ||
| 358 | A | 39.8 | Very low | 38.6 | Very low | 96 Ų | 96 | 125.2 Ų | 125.2 | 79% | 0.793 | 80% | 0.801 | S | S | * | * | trans | -75.7 | 147.9 | -168 | 0 | 0 | 0 | 0 | 0 | 113.3 | T360 | A358-T360 PolarHBondContact O-N 3.43Å; A358-T360 VanDerWaalsContact O-N 3.13Å | ||
| 359 | N | 38 | Very low | 38.2 | Very low | 168 Ų | 168 | 126.6 Ų | 126.6 | 90% | 0.898 | 80% | 0.801 | S | S | * | * | trans | -81.4 | 88 | 177.1 | -149.4 | 1 | 0 | 0 | 0 | 110.1 | ||||
| 360 | T | 37.8 | Very low | 38 | Very low | 118 Ų | 118 | 128.1 Ų | 128.1 | 72% | 0.724 | 80% | 0.804 | S | S | * | * | trans | -143.8 | 95 | 168.5 | -60.5 | 0 | 0 | 0 | 0 | 111.3 | A358 | A358-T360 PolarHBondContact O-N 3.43Å; A358-T360 VanDerWaalsContact O-N 3.13Å | ||
| 361 | S | 37.1 | Very low | 38.2 | Very low | 100 Ų | 100 | 131.7 Ų | 131.7 | 70% | 0.699 | 81% | 0.806 | S | S | * | * | trans | 50.3 | 130.8 | 136.2 | -47.7 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 362 | Q | 39.9 | Very low | 38.2 | Very low | 182 Ų | 182 | 130.1 Ų | 130.1 | 85% | 0.85 | 80% | 0.8 | S | S | * | * | trans | 114.3 | 121 | 145 | -55 | -168.3 | 17.7 | 0 | 0 | 119.9 | ||||
| 363 | S | 38.2 | Very low | 38.6 | Very low | 96 Ų | 96 | 137.9 Ų | 137.9 | 67% | 0.671 | 81% | 0.805 | S | S | * | * | trans | 61.1 | 114.3 | 143.1 | 63.2 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 364 | F | 35 | Very low | 38.6 | Very low | 217 Ų | 217 | 136.3 Ų | 136.3 | 95% | 0.952 | 80% | 0.8 | S | S | * | * | 47.1 | 121.6 | 126.3 | -73.2 | -85.5 | 0 | 0 | 0 | 122.1 | |||||
| 365 | G | 36.9 | Very low | 38.5 | Very low | 76 Ų | 76 | 131.4 Ų | 131.4 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | trans | -171.7 | 141.3 | 159.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 366 | H | 37.2 | Very low | 38.5 | Very low | 194 Ų | 194 | 135.3 Ų | 135.3 | 90% | 0.898 | 80% | 0.8 | S | S | * | * | trans | -94.1 | 153.2 | -174.9 | -107.4 | -107.3 | 0 | 0 | 0 | 113.6 | ||||
| 367 | P | 39.3 | Very low | 38.4 | Very low | 111 Ų | 111 | 132.4 Ų | 132.4 | 72% | 0.721 | 79% | 0.794 | S | S | * | * | trans | -94.7 | 155.3 | -177.4 | 36.7 | -35.5 | 0 | 0 | 0 | 114.8 | ||||
| 368 | S | 39.6 | Very low | 38.7 | Very low | 115 Ų | 115 | 133.3 Ų | 133.3 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -173.4 | 166.1 | 165.9 | -89.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 369 | T | 40.8 | Very low | 38.5 | Very low | 108 Ų | 108 | 133.6 Ų | 133.6 | 66% | 0.663 | 80% | 0.795 | S | S | * | * | cis | -174.5 | 127 | -26.7 | -86 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 370 | L | 44.2 | Very low | 38.5 | Very low | 152 Ų | 152 | 135.2 Ų | 135.2 | 80% | 0.796 | 80% | 0.795 | S | S | * | * | trans | 61.9 | 168.1 | 177.3 | -58 | 168.2 | 0 | 0 | 0 | 114.4 | ||||
| 371 | D | 38.3 | Very low | 38.6 | Very low | 148 Ų | 148 | 134.2 Ų | 134.2 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | cis | -152.8 | -174.3 | -12.6 | -138.9 | -42.9 | 0 | 0 | 0 | 109.4 | ||||
| 372 | G | 40.4 | Very low | 38.6 | Very low | 66 Ų | 66 | 132.4 Ų | 132.4 | 68% | 0.68 | 80% | 0.796 | S | S | * | * | trans | 110.9 | 84.4 | 142.5 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 373 | R | 40.8 | Very low | 38.5 | Very low | 239 Ų | 239 | 129.7 Ų | 129.7 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | trans | -10.7 | 134.4 | 150.9 | -89 | 173.2 | 162.1 | 156.9 | -5.8 | 120.6 | ||||
| 374 | S | 38.9 | Very low | 38.4 | Very low | 109 Ų | 109 | 131.4 Ų | 131.4 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | 91.1 | 139.8 | 126.8 | -66.1 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 375 | A | 38.1 | Very low | 38.5 | Very low | 92 Ų | 92 | 132 Ų | 132 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | trans | 88.5 | 154.1 | 152.6 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 376 | L | 36.6 | Very low | 38.6 | Very low | 171 Ų | 171 | 136.6 Ų | 136.6 | 90% | 0.895 | 80% | 0.801 | S | S | * | * | trans | 73.7 | 106.2 | 172.4 | -51 | -177.5 | 0 | 0 | 0 | 117.6 | ||||
| 377 | C | 31.9 | Very low | 38.6 | Very low | 130 Ų | 130 | 132.4 Ų | 132.4 | 88% | 0.878 | 79% | 0.794 | S | S | * | * | trans | -76.8 | 159.1 | 163.9 | -46.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 378 | P | 43.6 | Very low | 38.5 | Very low | 112 Ų | 112 | 132.7 Ų | 132.7 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | trans | -120.2 | 146.3 | 138.9 | 35.2 | -28.6 | 0 | 0 | 0 | 111.6 | ||||
| 379 | A | 37 | Very low | 38.5 | Very low | 102 Ų | 102 | 135.8 Ų | 135.8 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | trans | -78 | 144.8 | 164.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 380 | F | 37.2 | Very low | 38.7 | Very low | 202 Ų | 202 | 140.4 Ų | 140.4 | 89% | 0.886 | 81% | 0.813 | S | S | * | * | trans | -126.6 | 136.6 | 170.1 | -119.6 | -90 | 0 | 0 | 0 | 110.5 | ||||
| 381 | A | 39 | Very low | 38.3 | Very low | 96 Ų | 96 | 139.9 Ų | 139.9 | 79% | 0.793 | 81% | 0.811 | S | S | * | * | trans | -105.7 | 143.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 382 | G | 37.6 | Very low | 38.2 | Very low | 63 Ų | 63 | 138.1 Ų | 138.1 | 65% | 0.649 | 81% | 0.807 | S | S | * | * | trans | -171.6 | 100.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 383 | T | 37.5 | Very low | 38.1 | Very low | 125 Ų | 125 | 141.1 Ų | 141.1 | 77% | 0.767 | 82% | 0.815 | S | S | * | * | 56.7 | 90.6 | 78.1 | 69.8 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 384 | T | 37.7 | Very low | 38.2 | Very low | 131 Ų | 131 | 138.7 Ų | 138.7 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | 34.5 | 108.5 | 135.8 | 52.5 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 385 | Y | 35.8 | Very low | 38.1 | Very low | 231 Ų | 231 | 142.7 Ų | 142.7 | 91% | 0.906 | 82% | 0.82 | S | S | * | * | trans | -134.2 | 116.7 | 144.9 | -108.6 | -87.8 | 0 | 0 | 0 | 110.2 | ||||
| 386 | L | 38.7 | Very low | 37.8 | Very low | 172 Ų | 172 | 147.3 Ų | 147.3 | 90% | 0.901 | 83% | 0.826 | S | S | * | * | trans | -94.9 | 123.4 | 165.3 | -88.2 | 167 | 0 | 0 | 0 | 108.2 | ||||
| 387 | S | 38 | Very low | 37.7 | Very low | 105 Ų | 105 | 147.5 Ų | 147.5 | 73% | 0.734 | 83% | 0.827 | S | S | * | * | trans | -164 | 131.2 | 157.7 | -88.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 388 | S | 36.3 | Very low | 37.5 | Very low | 117 Ų | 117 | 151.7 Ų | 151.7 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | trans | 48.4 | 85.4 | 142.5 | -57.3 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 389 | M | 40.2 | Very low | 37.1 | Very low | 181 Ų | 181 | 154.7 Ų | 154.7 | 89% | 0.892 | 83% | 0.833 | S | S | * | * | trans | -106.8 | 116.7 | 139.8 | -69.3 | -172.3 | -172.1 | 0 | 0 | 109.1 | ||||
| 390 | K | 44.5 | Very low | 37 | Very low | 204 Ų | 204 | 156.7 Ų | 156.7 | 89% | 0.887 | 83% | 0.83 | S | S | * | * | trans | -94.7 | 103.9 | -176.8 | -178.2 | 81 | 173.6 | -170.6 | 0 | 109.6 | ||||
| 391 | L | 36.5 | Very low | 36.8 | Very low | 142 Ų | 142 | 154.1 Ų | 154.1 | 74% | 0.743 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 153.4 | 168 | -90.4 | 75.5 | 0 | 0 | 0 | 111.2 | ||
| 392 | P | 36.8 | Very low | 36.8 | Very low | 111 Ų | 111 | 153.3 Ų | 153.3 | 72% | 0.721 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 157.2 | -174.4 | 31.3 | -36.3 | 0 | 0 | 0 | 113 | ||
| 393 | P | 36.7 | Very low | 36.8 | Very low | 129 Ų | 129 | 157.8 Ų | 157.8 | 84% | 0.838 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 134.5 | 178.1 | 31.2 | -34 | 0 | 0 | 0 | 111.6 | ||
| 394 | Q | 43.1 | Very low | 36.8 | Very low | 187 Ų | 187 | 155.3 Ų | 155.3 | 87% | 0.874 | 83% | 0.832 | S | S | * | * | trans | -114 | 154.7 | 158.8 | -74.2 | -152.7 | -24.1 | 0 | 0 | 111.2 | Q396 | Q394-Q396 PolarHBondContact O-N 3.23Š| ||
| 395 | Q | 37.7 | Very low | 36.6 | Very low | 194 Ų | 194 | 160 Ų | 160 | 91% | 0.907 | 84% | 0.837 | S | S | * | * | trans | -60.5 | 120.8 | -159.3 | -66.3 | 152 | -23.5 | 0 | 0 | 113.2 | L397 | Q395-L397 PolarHBondContact O-N 3.1Š| ||
| 396 | Q | 31.5 | Very low | 36.4 | Very low | 188 Ų | 188 | 154.2 Ų | 154.2 | 88% | 0.879 | 83% | 0.83 | S | S | * | * | trans | -80.4 | 109.6 | 162.2 | -78.9 | -165.6 | -26.3 | 0 | 0 | 110.2 | Q394 R398 | Q394-Q396 PolarHBondContact O-N 3.23Å; Q396-R398 PolarHBondContact O-N 3.23Å | ||
| 397 | L | 34.1 | Very low | 36.3 | Very low | 175 Ų | 175 | 151.9 Ų | 151.9 | 92% | 0.916 | 82% | 0.823 | S | S | * | * | trans | -75.4 | 113.8 | 156.4 | -95.2 | 148.9 | 0 | 0 | 0 | 108.4 | Q395 | Q395-L397 PolarHBondContact O-N 3.1Š| ||
| 398 | R | 28.4 | Very low | 36.1 | Very low | 219 Ų | 219 | 151 Ų | 151 | 83% | 0.826 | 82% | 0.822 | S | S | * | * | trans | -67.6 | 130.6 | 172.1 | -83.8 | -177.9 | 169 | 154.3 | -5.5 | 110.3 | Q396 | Q396-R398 PolarHBondContact O-N 3.23Š| ||
| 399 | L | 35.9 | Very low | 36.1 | Very low | 175 Ų | 175 | 150.4 Ų | 150.4 | 92% | 0.916 | 81% | 0.814 | S | S | * | * | trans | -123.8 | 138 | 147.5 | -86 | 165.4 | 0 | 0 | 0 | 107.4 | ||||
| 400 | N | 33.3 | Very low | 35.7 | Very low | 144 Ų | 144 | 150.9 Ų | 150.9 | 77% | 0.77 | 81% | 0.811 | S | S | * | * | trans | -80.8 | 144.9 | -162.9 | -63.2 | -34.8 | 0 | 0 | 0 | 112.3 | ||||
| 401 | T | 32.9 | Very low | 35.2 | Very low | 147 Ų | 147 | 150.8 Ų | 150.8 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | trans | -69.5 | 128.1 | 170.1 | -53.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 402 | A | 39 | Very low | 35.5 | Very low | 80 Ų | 80 | 150 Ų | 150 | 66% | 0.661 | 81% | 0.81 | S | S | * | * | trans | -141.3 | 123.8 | 159.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 403 | D | 38.1 | Very low | 35.2 | Very low | 156 Ų | 156 | 150 Ų | 150 | 83% | 0.834 | 81% | 0.813 | S | S | * | * | trans | 54.5 | 95.3 | 150.1 | -48.1 | -30.2 | 0 | 0 | 0 | 120.3 | ||||
| 404 | G | 36.7 | Very low | 35.3 | Very low | 73 Ų | 73 | 152.9 Ų | 152.9 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | 73.9 | 96.3 | 116.7 | 0 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 405 | Y | 35 | Very low | 34.9 | Very low | 231 Ų | 231 | 149.2 Ų | 149.2 | 91% | 0.906 | 81% | 0.81 | S | S | * | * | -163 | 141.7 | 100.2 | -121.7 | -95.2 | 0 | 0 | 0 | 110.1 | |||||
| 406 | S | 30.9 | Very low | 35 | Very low | 108 Ų | 108 | 145.4 Ų | 145.4 | 76% | 0.755 | 80% | 0.804 | S | S | * | * | trans | -109.5 | 119.8 | -177.6 | -173.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 407 | T | 36.3 | Very low | 35.4 | Very low | 123 Ų | 123 | 145.4 Ų | 145.4 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | trans | -132.3 | 89.1 | 167.3 | -53.7 | 0 | 0 | 0 | 0 | 108.6 | V409 | T407-V409 PolarHBondContact O-N 3.43Š| ||
| 408 | A | 33.9 | Very low | 35.6 | Very low | 86 Ų | 86 | 148 Ų | 148 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | trans | -76.4 | 104.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | F410 | A408-F410 PolarHBondContact O-N 2.94Š| ||
| 409 | V | 37 | Very low | 35.8 | Very low | 106 Ų | 106 | 145.1 Ų | 145.1 | 64% | 0.642 | 80% | 0.799 | S | S | * | * | trans | -84.6 | 103.1 | 171.6 | -178.6 | 0 | 0 | 0 | 0 | 109 | T407 Y411 | T407-V409 PolarHBondContact O-N 3.43Å; V409-Y411 HydrophobicContact CG1-CD2 4.13Å; V409-Y411 HydrophobicContact CG1-CE2 3.83Å; V409-Y411 PolarHBondContact O-N 3.37Å | ||
| 410 | F | 32.4 | Very low | 36 | Very low | 191 Ų | 191 | 142.4 Ų | 142.4 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | trans | -70.5 | 123.5 | 174.2 | -117.6 | -98 | 0 | 0 | 0 | 110.4 | A408 | A408-F410 PolarHBondContact O-N 2.94Š| ||
| 411 | Y | 34.2 | Very low | 36.2 | Very low | 201 Ų | 201 | 147 Ų | 147 | 79% | 0.788 | 80% | 0.802 | S | S | * | * | trans | -107.5 | 109.7 | 166.1 | -85.9 | -88.2 | 0 | 0 | 0 | 109.3 | V409 S413 | V409-Y411 HydrophobicContact CG1-CD2 4.13Å; V409-Y411 HydrophobicContact CG1-CE2 3.83Å; V409-Y411 PolarHBondContact O-N 3.37Å; Y411-S413 PolarHBondContact O-N 2.72Å | ||
| 412 | P | 41.8 | Very low | 36.5 | Very low | 125 Ų | 125 | 145.6 Ų | 145.6 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | trans | -67.1 | 119.6 | 168.9 | -16.6 | 31 | 0 | 0 | 0 | 109.6 | ||||
| 413 | S | 31.2 | Very low | 36.8 | Very low | 112 Ų | 112 | 152.5 Ų | 152.5 | 78% | 0.783 | 80% | 0.802 | S | S | * | * | trans | -127.1 | 91.5 | 170.7 | -166.4 | 0 | 0 | 0 | 0 | 108.9 | Y411 | Y411-S413 PolarHBondContact O-N 2.72Š| ||
| 414 | E | 39.2 | Very low | 37.4 | Very low | 190 Ų | 190 | 152.9 Ų | 152.9 | 89% | 0.888 | 80% | 0.804 | S | S | * | * | trans | -119.5 | 129.4 | 165.7 | -77.5 | -127.3 | 106.8 | 0 | 0 | 109.4 | ||||
| 415 | S | 34.6 | Very low | 38.1 | Very low | 110 Ų | 110 | 155.7 Ų | 155.7 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | trans | -131.4 | 145.7 | 170.9 | -69.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 416 | S | 38.9 | Very low | 38.4 | Very low | 113 Ų | 113 | 152.8 Ų | 152.8 | 79% | 0.79 | 81% | 0.808 | S | S | * | * | trans | 85.7 | 159.5 | 171.2 | -156.7 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 417 | K | 40.2 | Very low | 39.1 | Very low | 189 Ų | 189 | 157.3 Ų | 157.3 | 82% | 0.822 | 82% | 0.817 | S | S | * | * | trans | 69.3 | 96.6 | -171.4 | -48.6 | 158.7 | -166.8 | 162.4 | 0 | 111.8 | ||||
| 418 | R | 37.5 | Very low | 39.3 | Very low | 229 Ų | 229 | 154.8 Ų | 154.8 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | cis | 72.8 | 112.7 | 34.7 | -149.4 | -164.7 | -155.4 | -122.5 | 4.3 | 113.9 | ||||
| 419 | L | 33.9 | Very low | 39.9 | Very low | 158 Ų | 158 | 156.8 Ų | 156.8 | 83% | 0.827 | 82% | 0.819 | S | S | * | * | trans | 78.3 | 97.5 | 154.1 | -143.9 | 81.4 | 0 | 0 | 0 | 119.6 | ||||
| 420 | S | 38.9 | Very low | 40.1 | Very low | 118 Ų | 118 | 160.7 Ų | 160.7 | 83% | 0.825 | 83% | 0.83 | S | S | * | * | trans | -162.5 | 122.7 | 132.9 | 53.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 421 | R | 36.9 | Very low | 40.6 | Very low | 241 Ų | 241 | 155.4 Ų | 155.4 | 91% | 0.909 | 82% | 0.822 | S | S | * | * | trans | -79.8 | 142.9 | 163.2 | -69.1 | 168.7 | 165.3 | 160.9 | -8.6 | 108.8 | ||||
| 422 | T | 39.2 | Very low | 41.1 | Very low | 117 Ų | 117 | 151 Ų | 151 | 72% | 0.718 | 83% | 0.827 | S | S | * | * | -175 | 134.7 | 129 | 26.8 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 423 | R | 45.7 | Very low | 41 | Very low | 226 Ų | 226 | 148.1 Ų | 148.1 | 85% | 0.853 | 82% | 0.82 | S | S | * | * | trans | 57.9 | 109.3 | 144 | -65.2 | 177.6 | 170.8 | 123.8 | -3.3 | 119.9 | ||||
| 424 | D | 50.8 | Low | 41.4 | Very low | 163 Ų | 163 | 150.7 Ų | 150.7 | 87% | 0.872 | 82% | 0.824 | S | S | * | * | -102 | 156 | 129.9 | -67.8 | -65.8 | 0 | 0 | 0 | 109.2 | |||||
| 425 | P | 52.8 | Low | 41.5 | Very low | 132 Ų | 132 | 149.2 Ų | 149.2 | 86% | 0.857 | 82% | 0.821 | S | S | * | * | trans | -91.7 | 166.5 | -174.8 | -6.3 | 27.3 | 0 | 0 | 0 | 115.3 | ||||
| 426 | L | 40.1 | Very low | 41.6 | Very low | 170 Ų | 170 | 153.6 Ų | 153.6 | 89% | 0.89 | 83% | 0.827 | S | S | * | * | trans | -107.8 | 137.6 | 176 | -82 | 162.4 | 0 | 0 | 0 | 112 | ||||
| 427 | E | 45.7 | Very low | 41.9 | Very low | 204 Ų | 204 | 153.9 Ų | 153.9 | 95% | 0.953 | 83% | 0.826 | S | S | * | * | trans | -160 | 142.8 | 136.2 | -68.9 | -156.4 | 134.6 | 0 | 0 | 106 | ||||
| 428 | G | 41.3 | Very low | 41.8 | Very low | 70 Ų | 70 | 148.2 Ų | 148.2 | 72% | 0.722 | 82% | 0.821 | S | S | * | * | cis | -165.4 | -171.9 | -10.9 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 429 | V | 45.3 | Very low | 42.1 | Very low | 128 Ų | 128 | 146.2 Ų | 146.2 | 78% | 0.776 | 82% | 0.821 | S | S | * | * | cis | -157.6 | 141.1 | 5.6 | 172.7 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 430 | E | 40.9 | Very low | 42.2 | Very low | 187 Ų | 187 | 144.3 Ų | 144.3 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | trans | 57.7 | 158 | 164.6 | -74.3 | -170.4 | 114 | 0 | 0 | 120.6 | ||||
| 431 | A | 42.8 | Very low | 42.3 | Very low | 80 Ų | 80 | 145.3 Ų | 145.3 | 66% | 0.661 | 82% | 0.823 | S | S | * | * | cis | -160.5 | 155.2 | -24.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 432 | A | 44.9 | Very low | 42.5 | Very low | 110 Ų | 110 | 139.4 Ų | 139.4 | 91% | 0.909 | 82% | 0.818 | S | S | * | * | trans | 43.2 | 130.9 | 161.2 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 433 | G | 39.8 | Very low | 42.9 | Very low | 64 Ų | 64 | 139.4 Ų | 139.4 | 66% | 0.66 | 82% | 0.823 | S | S | * | * | cis | 153 | 162 | -6.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 434 | L | 39.3 | Very low | 42.6 | Very low | 166 Ų | 166 | 136.8 Ų | 136.8 | 87% | 0.869 | 83% | 0.826 | S | S | * | * | trans | 65.8 | 132.7 | 158.4 | -51.5 | -178.3 | 0 | 0 | 0 | 117.1 | ||||
| 435 | L | 41.6 | Very low | 42.3 | Very low | 158 Ų | 158 | 132.7 Ų | 132.7 | 83% | 0.827 | 82% | 0.823 | S | S | * | * | cis | -146.5 | 161.8 | 9.1 | -81.8 | 111.1 | 0 | 0 | 0 | 112.9 | ||||
| 436 | F | 36.5 | Very low | 41.7 | Very low | 202 Ų | 202 | 134.7 Ų | 134.7 | 89% | 0.886 | 83% | 0.826 | S | S | * | * | trans | -109.9 | -179.5 | 154.8 | -89.9 | -85.7 | 0 | 0 | 0 | 108.1 | ||||
| 437 | P | 46.7 | Very low | 41.9 | Very low | 119 Ų | 119 | 130.1 Ų | 130.1 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | cis | -132.6 | -174.7 | 7.9 | 41.1 | -22.1 | 0 | 0 | 0 | 115.4 | ||||
| 438 | G | 37.6 | Very low | 41.7 | Very low | 70 Ų | 70 | 126.5 Ų | 126.5 | 72% | 0.722 | 82% | 0.817 | S | S | * | * | trans | -100.6 | -164.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 439 | H | 42.5 | Very low | 41.3 | Very low | 187 Ų | 187 | 128.5 Ų | 128.5 | 87% | 0.866 | 82% | 0.819 | S | S | * | * | trans | -148.6 | 170.3 | 176 | 42.8 | -141.1 | 0 | 0 | 0 | 112 | ||||
| 440 | S | 36.4 | Very low | 41.2 | Very low | 118 Ų | 118 | 130 Ų | 130 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | trans | -149.9 | 134.4 | -167.4 | -47.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 441 | T | 42.5 | Very low | 41.3 | Very low | 140 Ų | 140 | 126.6 Ų | 126.6 | 86% | 0.859 | 82% | 0.818 | S | S | * | * | trans | -169.6 | 139 | 157.6 | 31.2 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 442 | S | 40.1 | Very low | 41.1 | Very low | 116 Ų | 116 | 130.8 Ų | 130.8 | 81% | 0.811 | 83% | 0.828 | S | S | * | * | cis | 88.5 | 100 | 31.5 | -170.4 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 443 | S | 48.5 | Very low | 41.4 | Very low | 118 Ų | 118 | 131.2 Ų | 131.2 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | trans | -162.8 | 155.1 | 146.1 | 62.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 444 | N | 38.4 | Very low | 41.5 | Very low | 171 Ų | 171 | 132.5 Ų | 132.5 | 91% | 0.914 | 83% | 0.826 | S | S | * | * | trans | -104.5 | 153.3 | 173 | -74.8 | -37 | 0 | 0 | 0 | 110.2 | ||||
| 445 | G | 44.1 | Very low | 41.6 | Very low | 77 Ų | 77 | 129.7 Ų | 129.7 | 79% | 0.794 | 83% | 0.827 | S | S | * | * | trans | -157.3 | 128.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 446 | N | 41.7 | Very low | 42 | Very low | 174 Ų | 174 | 127.7 Ų | 127.7 | 93% | 0.93 | 83% | 0.826 | S | S | * | * | trans | -98.4 | 156.3 | 179.2 | -58.3 | -46.3 | 0 | 0 | 0 | 110.8 | ||||
| 447 | G | 43.4 | Very low | 42.3 | Very low | 73 Ų | 73 | 127.5 Ų | 127.5 | 75% | 0.753 | 83% | 0.825 | S | S | * | * | trans | 143.4 | 117.5 | 139.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 448 | S | 41 | Very low | 42.3 | Very low | 128 Ų | 128 | 127.5 Ų | 127.5 | 90% | 0.895 | 82% | 0.824 | S | S | * | * | trans | 75.5 | 165.5 | 142.3 | -144.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 449 | C | 33.9 | Very low | 42.6 | Very low | 113 Ų | 113 | 132.8 Ų | 132.8 | 76% | 0.764 | 83% | 0.83 | S | S | * | * | trans | -148.5 | 136.9 | -162.5 | 52.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 450 | I | 43.1 | Very low | 42.4 | Very low | 159 Ų | 159 | 130.4 Ų | 130.4 | 82% | 0.815 | 83% | 0.829 | S | S | * | * | trans | -148 | 104.8 | 173.4 | -61.4 | -176.6 | 0 | 0 | 0 | 105.7 | ||||
| 451 | S | 41.9 | Very low | 43 | Very low | 116 Ų | 116 | 130.6 Ų | 130.6 | 81% | 0.811 | 83% | 0.831 | S | S | * | * | 90.7 | 138.9 | 81.9 | -60.6 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 452 | L | 40.2 | Very low | 42.7 | Very low | 168 Ų | 168 | 130.3 Ų | 130.3 | 88% | 0.88 | 83% | 0.829 | S | S | * | * | trans | -94.3 | 162.9 | -177.2 | -71 | 158.5 | 0 | 0 | 0 | 112.6 | ||||
| 453 | P | 51.1 | Low | 43.1 | Very low | 119 Ų | 119 | 132.9 Ų | 132.9 | 77% | 0.773 | 83% | 0.832 | S | S | * | * | -137.6 | 164.4 | 100.7 | 36.6 | -24.3 | 0 | 0 | 0 | 112.9 | |||||
| 454 | A | 40.4 | Very low | 42.6 | Very low | 91 Ų | 91 | 134.5 Ų | 134.5 | 75% | 0.752 | 83% | 0.831 | S | S | * | * | cis | 105.2 | 133.2 | 12.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 455 | A | 42.3 | Very low | 43 | Very low | 107 Ų | 107 | 130.9 Ų | 130.9 | 88% | 0.884 | 83% | 0.825 | S | S | * | * | trans | 68.9 | 155.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 456 | S | 49.3 | Very low | 43 | Very low | 116 Ų | 116 | 131 Ų | 131 | 81% | 0.811 | 83% | 0.826 | S | S | * | * | cis | -144.2 | 164.4 | 8 | 58.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 457 | K | 42.6 | Very low | 43 | Very low | 198 Ų | 198 | 131 Ų | 131 | 86% | 0.861 | 83% | 0.825 | S | S | * | * | trans | -112.5 | 177.7 | 159.6 | -97.6 | -175.3 | -177.8 | -175.3 | 0 | 107.1 | ||||
| 458 | P | 47.8 | Very low | 42.8 | Very low | 118 Ų | 118 | 134 Ų | 134 | 77% | 0.766 | 83% | 0.833 | S | S | * | * | cis | -119.8 | -143.3 | 27.5 | 23.2 | 4.4 | 0 | 0 | 0 | 111.8 | ||||
| 459 | E | 44.6 | Very low | 43 | Very low | 181 Ų | 181 | 137.5 Ų | 137.5 | 85% | 0.846 | 83% | 0.832 | S | S | * | * | cis | -142.3 | -159.9 | 13.4 | -70.3 | -171.8 | 110.4 | 0 | 0 | 112.5 | ||||
| 460 | T | 37.4 | Very low | 43.7 | Very low | 137 Ų | 137 | 142.5 Ų | 142.5 | 84% | 0.84 | 86% | 0.859 | S | S | * | * | trans | -142.2 | 145.4 | -176.1 | 50.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 461 | S | 48.1 | Very low | 43.8 | Very low | 123 Ų | 123 | 141.7 Ų | 141.7 | 86% | 0.86 | 86% | 0.861 | S | S | * | * | trans | -141.2 | 131.2 | 162.2 | 55.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 462 | T | 37.8 | Very low | 43.9 | Very low | 133 Ų | 133 | 143.1 Ų | 143.1 | 82% | 0.816 | 86% | 0.863 | S | S | * | * | trans | -95.8 | 133.7 | 179.8 | -57.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 463 | I | 47.6 | Very low | 44.1 | Very low | 171 Ų | 171 | 141.7 Ų | 141.7 | 88% | 0.877 | 86% | 0.862 | S | S | * | * | trans | -134.2 | 143.6 | 155.9 | -56.5 | -177.5 | 0 | 0 | 0 | 107.7 | ||||
| 464 | D | 38 | Very low | 43.6 | Very low | 152 Ų | 152 | 143 Ų | 143 | 81% | 0.813 | 87% | 0.868 | S | S | * | * | trans | -113 | -179.9 | -166.7 | -166.6 | 8.2 | 0 | 0 | 0 | 111.9 | ||||
| 465 | A | 47.3 | Very low | 43.8 | Very low | 95 Ų | 95 | 146.3 Ų | 146.3 | 79% | 0.785 | 88% | 0.875 | S | S | * | * | trans | 75 | 132.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 466 | G | 43.9 | Very low | 43.9 | Very low | 78 Ų | 78 | 148.9 Ų | 148.9 | 80% | 0.804 | 87% | 0.874 | S | S | * | * | trans | 161 | 52.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | C468 | G466-C468 PolarHBondContact O-N 2.94Š| ||
| 467 | L | 42 | Very low | 43.6 | Very low | 176 Ų | 176 | 151.2 Ų | 151.2 | 92% | 0.921 | 88% | 0.879 | S | S | * | * | trans | -66.1 | 128.9 | 169.7 | -102.2 | 72.6 | 0 | 0 | 0 | 111 | ||||
| 468 | C | 39.2 | Very low | 43.6 | Very low | 136 Ų | 136 | 147.6 Ų | 147.6 | 92% | 0.919 | 88% | 0.88 | S | S | * | * | trans | -161.6 | 150.9 | 135.5 | -122.1 | 0 | 0 | 0 | 0 | 112.8 | G466 | G466-C468 PolarHBondContact O-N 2.94Š| ||
| 469 | K | 43.9 | Very low | 43.3 | Very low | 201 Ų | 201 | 150.1 Ų | 150.1 | 87% | 0.874 | 89% | 0.89 | S | S | * | * | trans | -85.3 | 144.9 | -174.9 | -70.4 | 170.4 | 172.9 | 172.4 | 0 | 112.9 | ||||
| 470 | V | 49.7 | Very low | 43.2 | Very low | 218 Ų | 218 | 147.3 Ų | 147.3 | 100% | 1.321 | 89% | 0.894 | S | S | * | * | -133.4 | 0 | 126.3 | -179.4 | 0 | 0 | 0 | 0 | 107.4 |
Retrieved 470 of 470 residues in 314.5 ms
(Link to these results)