| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 41 | Very low | 47.1 | Very low | 235 Ų | 235 | 128.1 Ų | 128.1 | 100% | 1.158 | 83% | 0.826 | S | S | * | * | 0 | 116.4 | 0 | -74.8 | 167.1 | 132.8 | 0 | 0 | 107.5 | |||||
| 2 | T | 48.6 | Very low | 46.8 | Very low | 146 Ų | 146 | 125.6 Ų | 125.6 | 90% | 0.896 | 82% | 0.824 | S | S | * | * | trans | 45.4 | 108.7 | 156.9 | 56.1 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 3 | G | 40.2 | Very low | 46.8 | Very low | 85 Ų | 85 | 127 Ų | 127 | 88% | 0.876 | 83% | 0.828 | S | S | * | * | 104.1 | 132.1 | 64.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | |||||
| 4 | G | 47.3 | Very low | 46.7 | Very low | 68 Ų | 68 | 129 Ų | 129 | 70% | 0.701 | 83% | 0.827 | S | S | * | * | cis | 129.8 | 126.7 | 26 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 5 | N | 49.4 | Very low | 46.6 | Very low | 176 Ų | 176 | 127.4 Ų | 127.4 | 94% | 0.941 | 82% | 0.817 | S | S | * | * | trans | 138.4 | 119.9 | 162.6 | -74.3 | -9.1 | 0 | 0 | 0 | 110.1 | ||||
| 6 | G | 47.4 | Very low | 47 | Very low | 62 Ų | 62 | 127.8 Ų | 127.8 | 64% | 0.639 | 82% | 0.817 | S | S | * | * | cis | 115.2 | 126.9 | 12.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 7 | T | 54.9 | Low | 47.4 | Very low | 144 Ų | 144 | 127.5 Ų | 127.5 | 88% | 0.883 | 82% | 0.816 | S | S | * | * | trans | 93.7 | 141.3 | 167.5 | 75.2 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 8 | N | 45.8 | Very low | 46.8 | Very low | 139 Ų | 139 | 129.3 Ų | 129.3 | 74% | 0.743 | 82% | 0.818 | S | S | * | * | cis | -174.8 | 169 | -25.9 | -153.9 | -12 | 0 | 0 | 0 | 106.7 | ||||
| 9 | L | 52.8 | Low | 46.7 | Very low | 129 Ų | 129 | 128.2 Ų | 128.2 | 68% | 0.675 | 82% | 0.815 | S | S | * | * | trans | 96.9 | 105.1 | 155.1 | -45.7 | -177.1 | 0 | 0 | 0 | 120.7 | ||||
| 10 | D | 47.7 | Very low | 46.2 | Very low | 151 Ų | 151 | 131.1 Ų | 131.1 | 81% | 0.807 | 82% | 0.818 | S | S | * | * | 54.4 | 126.1 | 123.1 | -55.4 | -42.7 | 0 | 0 | 0 | 119.1 | |||||
| 11 | G | 43.3 | Very low | 45.8 | Very low | 74 Ų | 74 | 130.4 Ų | 130.4 | 76% | 0.763 | 82% | 0.818 | S | S | * | * | cis | 105.3 | 101.8 | 35.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 12 | A | 43.2 | Very low | 45.6 | Very low | 98 Ų | 98 | 124.7 Ų | 124.7 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | trans | 177.2 | 110 | 150.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 13 | V | 46.9 | Very low | 45.4 | Very low | 144 Ų | 144 | 124.5 Ų | 124.5 | 87% | 0.873 | 80% | 0.795 | S | S | * | * | trans | -74.2 | 137.1 | 157.7 | 164.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 14 | L | 45.3 | Very low | 45.3 | Very low | 155 Ų | 155 | 125.7 Ų | 125.7 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | trans | -120 | 112.4 | 179.3 | -128.1 | 149.7 | 0 | 0 | 0 | 109.4 | ||||
| 15 | P | 45.4 | Very low | 44.7 | Very low | 105 Ų | 105 | 127.3 Ų | 127.3 | 68% | 0.682 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 147.1 | 167.1 | 33.9 | -27.6 | 0 | 0 | 0 | 110.4 | ||
| 16 | T | 53.4 | Low | 44.2 | Very low | 133 Ų | 133 | 127.3 Ų | 127.3 | 82% | 0.816 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 136.4 | 176 | 39 | 0 | 0 | 0 | 0 | 110.6 | ||
| 17 | P | 52.8 | Low | 43.6 | Very low | 123 Ų | 123 | 128.4 Ų | 128.4 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 139.1 | -173.2 | 35.2 | -32.3 | 0 | 0 | 0 | 113.9 | ||
| 18 | D | 36.9 | Very low | 42.8 | Very low | 160 Ų | 160 | 125.3 Ų | 125.3 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 131.9 | 156.6 | -57.6 | -51.6 | 0 | 0 | 0 | 109.3 | ||
| 19 | S | 45.2 | Very low | 42.3 | Very low | 109 Ų | 109 | 124.5 Ų | 124.5 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | trans | 158.9 | 131.4 | 138.6 | 42.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 20 | E | 36.6 | Very low | 42 | Very low | 185 Ų | 185 | 123.5 Ų | 123.5 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | trans | 33 | 123.1 | 144.8 | -64.1 | 179.5 | 121.1 | 0 | 0 | 121.4 | ||||
| 21 | S | 38.6 | Very low | 41.4 | Very low | 117 Ų | 117 | 124.2 Ų | 124.2 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -135.6 | 110.9 | 143.9 | 52.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 22 | T | 36.2 | Very low | 41.1 | Very low | 116 Ų | 116 | 123.8 Ų | 123.8 | 71% | 0.712 | 80% | 0.798 | S | S | * | * | trans | -68.8 | 130.9 | 163.8 | -53.2 | 0 | 0 | 0 | 0 | 109.4 | V24 | T22-V24 HydrophobicContact CG2-CG2 3.67Š| ||
| 23 | V | 44 | Very low | 40.6 | Very low | 142 Ų | 142 | 130.9 Ų | 130.9 | 86% | 0.861 | 80% | 0.804 | S | S | * | * | trans | -126.6 | 124.9 | 162.1 | -177.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 24 | V | 38 | Very low | 40.4 | Very low | 110 Ų | 110 | 131.9 Ų | 131.9 | 67% | 0.667 | 80% | 0.803 | S | S | * | * | trans | -107.4 | 137.6 | -170.4 | -169.5 | 0 | 0 | 0 | 0 | 110 | T22 | T22-V24 HydrophobicContact CG2-CG2 3.67Š| ||
| 25 | S | 34.7 | Very low | 40.1 | Very low | 101 Ų | 101 | 130.4 Ų | 130.4 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | trans | 59 | 133.9 | 151.2 | -70.9 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 26 | L | 39.9 | Very low | 39.6 | Very low | 177 Ų | 177 | 129.9 Ų | 129.9 | 93% | 0.927 | 81% | 0.805 | S | S | * | * | 147.6 | 103.9 | 123 | -74.1 | 171.4 | 0 | 0 | 0 | 106.5 | |||||
| 27 | G | 34.2 | Very low | 38.9 | Very low | 85 Ų | 85 | 129.4 Ų | 129.4 | 88% | 0.876 | 80% | 0.802 | S | S | * | * | 118.1 | 116.4 | 60.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 28 | G | 37.1 | Very low | 38 | Very low | 78 Ų | 78 | 129.4 Ų | 129.4 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | 148.6 | 116.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 29 | P | 37.2 | Very low | 37.9 | Very low | 123 Ų | 123 | 128.3 Ų | 128.3 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | trans | -101.6 | 144.8 | -172.8 | 37.2 | -29.5 | 0 | 0 | 0 | 113 | ||||
| 30 | S | 45.9 | Very low | 37.4 | Very low | 107 Ų | 107 | 127.5 Ų | 127.5 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | trans | 171.3 | 125.1 | 139 | 35.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 31 | D | 35 | Very low | 37.6 | Very low | 166 Ų | 166 | 127.3 Ų | 127.3 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | trans | 57.8 | 100.1 | 142.9 | -54.8 | -32.3 | 0 | 0 | 0 | 120.8 | ||||
| 32 | G | 36 | Very low | 37.7 | Very low | 66 Ų | 66 | 129.5 Ų | 129.5 | 68% | 0.68 | 80% | 0.799 | S | S | * | * | trans | 173.2 | 81.7 | 163 | 0 | 0 | 0 | 0 | 0 | 112.7 | L34 | G32-L34 PolarHBondContact O-N 3.19Š| ||
| 33 | R | 34.2 | Very low | 38.6 | Very low | 246 Ų | 246 | 128.1 Ų | 128.1 | 93% | 0.928 | 79% | 0.791 | S | S | * | * | trans | -53.1 | 91.6 | 176.2 | -175 | 178 | -177.2 | -165.9 | 3.1 | 111.7 | ||||
| 34 | L | 41.4 | Very low | 39.3 | Very low | 166 Ų | 166 | 124 Ų | 124 | 87% | 0.869 | 77% | 0.769 | S | S | * | * | trans | -92.8 | 114 | 164.7 | -80.7 | 168.2 | 0 | 0 | 0 | 108.7 | G32 A36 | G32-L34 PolarHBondContact O-N 3.19Å; L34-A36 PolarHBondContact O-N 3.36Å; L34-A36 VanDerWaalsContact O-N 3.11Å | ||
| 35 | V | 40.5 | Very low | 40.8 | Very low | 124 Ų | 124 | 121.8 Ų | 121.8 | 75% | 0.752 | 75% | 0.751 | S | S | * | * | trans | -66.6 | 105.6 | 167.5 | 172.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 36 | A | 33.5 | Very low | 43.3 | Very low | 94 Ų | 94 | 119.6 Ų | 119.6 | 78% | 0.777 | 73% | 0.734 | S | S | * | * | trans | -76 | 117.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | L34 | L34-A36 PolarHBondContact O-N 3.36Å; L34-A36 VanDerWaalsContact O-N 3.11Å | ||
| 37 | T | 38.6 | Very low | 45.5 | Very low | 123 Ų | 123 | 112.2 Ų | 112.2 | 76% | 0.755 | 70% | 0.696 | S | S | * | * | trans | -77.9 | 132.3 | 168.7 | -36.6 | 0 | 0 | 0 | 0 | 108.5 | N39 | T37-N39 PolarHBondContact O-N 3.41Š| ||
| 38 | P | 34.1 | Very low | 48 | Very low | 122 Ų | 122 | 113 Ų | 113 | 79% | 0.792 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -80.2 | 89.6 | 179.9 | 32.7 | -31.1 | 0 | 0 | 0 | 109 | ||
| 39 | N | 35.5 | Very low | 50.5 | Low | 137 Ų | 137 | 112.8 Ų | 112.8 | 73% | 0.733 | 65% | 0.652 | S | S | * | * | trans | -165.4 | 112.1 | 153 | -112.7 | -18.2 | 0 | 0 | 0 | 108.3 | T37 K41 | T37-N39 PolarHBondContact O-N 3.41Å; N39-K41 PolarHBondContact O-N 2.82Å | ||
| 40 | G | 34.9 | Very low | 53 | Low | 92 Ų | 92 | 107 Ų | 107 | 95% | 0.948 | 62% | 0.615 | S | S | * | * | trans | -67.7 | 30.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 41 | K | 40.6 | Very low | 55 | Low | 182 Ų | 182 | 103.7 Ų | 103.7 | 79% | 0.791 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -96.2 | 113.2 | 166.1 | -76.1 | -178.5 | 177.6 | 179.9 | 0 | 107.4 | N39 | N39-K41 PolarHBondContact O-N 2.82Š|
| 42 | Q | 40.3 | Very low | 57.6 | Low | 163 Ų | 163 | 100 Ų | 100 | 76% | 0.762 | 57% | 0.571 | S | S | * | * | trans | -38.1 | 125.5 | 169.9 | -71.9 | -76.2 | -5 | 0 | 0 | 109.7 | S44 | Q42-S44 PolarHBondContact O-N 3.49Å; Q42-S44 PolarHBondContact O-OG 3.47Å | ||
| 43 | P | 54.1 | Low | 60.1 | Low | 86 Ų | 86 | 97.3 Ų | 97.3 | 56% | 0.558 | 54% | 0.541 | S | S | * | . | trans | -73.1 | 42.1 | -176.6 | 32 | -37 | 0 | 0 | 0 | 112.1 | H45 | P43-H45 PolarHBondContact O-N 3.42Š| ||
| 44 | S | 59.5 | Low | 62.7 | Low | 55 Ų | 55 | 86.7 Ų | 86.7 | 39% | 0.385 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -19.9 | -161.2 | 49.1 | 0 | 0 | 0 | 0 | 113.6 | Q42 | Q42-S44 PolarHBondContact O-N 3.49Å; Q42-S44 PolarHBondContact O-OG 3.47Å |
| 45 | H | 70.7 | Confident | 64.9 | Low | 65 Ų | 65 | 84.9 Ų | 84.9 | 30% | 0.301 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -142.7 | 46.2 | -172.9 | -64.9 | -76.5 | 0 | 0 | 0 | 112.7 | P43 S89 L90 | P43-H45 PolarHBondContact O-N 3.42Å; H45-S89 WeakPolarHBondContact ND1-CB 3.24Å; H45-S89 PolarHBondContact ND1-OG 3.41Å; H45-L90 VanDerWaalsContact O-CD2 3.3Å; H45-L90 WeakPolarHBondContact O-CD2 3.34Å |
| 46 | T | 85.2 | Confident | 67.2 | Low | 55 Ų | 55 | 81.1 Ų | 81.1 | 34% | 0.337 | 46% | 0.464 | S | S | . | . | trans | -99.4 | 156.4 | 174.1 | 66 | 0 | 0 | 0 | 0 | 112.2 | E48 Y49 L50 | T46-E48 VanDerWaalsContact C-N 3.26Å; T46-E48 PolarHBondContact O-N 3.11Å; T46-Y49 PolarHBondContact O-N 2.98Å; T46-Y49 VanDerWaalsContact OG1-CB 3.27Å; T46-Y49 WeakPolarHBondContact OG1-CB 3.47Å; T46-Y49 PolarHBondContact OG1-N 3.42Å; T46-Y49 VanDerWaalsContact OG1-N 3.13Å; T46-L50 PolarHBondContact O-N 2.9Å; T46-L50 VanDerWaalsContact O-N 3.17Å | ||
| 47 | V | 87.1 | Confident | 69.8 | Low | 22 Ų | 22 | 80.3 Ų | 80.3 | 13% | 0.133 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -63.3 | -37.5 | 176.6 | -177.1 | 0 | 0 | 0 | 0 | 110.8 | L50 A51 L90 M225 I229 Y234 | V47-L50 PolarHBondContact O-N 3.05Å; V47-A51 PolarHBondContact O-N 3.08Å; V47-A51 VanDerWaalsContact O-N 3.07Å; V47-L90 HydrophobicContact CG2-CD1 4.29Å; V47-L90 HydrophobicContact CG2-CD2 4.23Å; V47-M225 HydrophobicContact CG1-SD 4.44Å; V47-M225 HydrophobicContact CG2-CE 4.2Å; V47-M225 HydrophobicContact CG2-SD 4.3Å; V47-I229 HydrophobicContact CG1-CD1 3.31Å; V47-I229 HydrophobicContact CG1-CG1 4.1Å; V47-Y234 HydrophobicContact CG1-CD1 4.31Å; V47-Y234 HydrophobicContact CG1-CE1 3.64Å; V47-Y234 HydrophobicContact CG1-CE2 4.44Å |
| 48 | E | 87.5 | Confident | 72.1 | Confident | 102 Ų | 102 | 80 Ų | 80 | 48% | 0.477 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -65 | -40.5 | 175.9 | -65.7 | 74 | -164.2 | 0 | 0 | 111.8 | T46 L50 A51 Q52 | T46-E48 VanDerWaalsContact C-N 3.26Å; T46-E48 PolarHBondContact O-N 3.11Å; E48-L50 VanDerWaalsContact C-N 3.34Å; E48-L50 PolarHBondContact O-N 3.3Å; E48-A51 PolarHBondContact O-N 2.81Å; E48-Q52 PolarHBondContact O-N 3.48Å |
| 49 | Y | 89.4 | Confident | 74.5 | Confident | 72 Ų | 72 | 78.9 Ų | 78.9 | 28% | 0.282 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63 | -42.1 | 176.2 | 179.3 | -122.2 | 0 | 0 | 0 | 111.1 | T46 A51 Q52 L53 V86 | T46-Y49 PolarHBondContact O-N 2.98Å; T46-Y49 VanDerWaalsContact OG1-CB 3.27Å; T46-Y49 WeakPolarHBondContact OG1-CB 3.47Å; T46-Y49 PolarHBondContact OG1-N 3.42Å; T46-Y49 VanDerWaalsContact OG1-N 3.13Å; Y49-A51 VanDerWaalsContact C-N 3.35Å; Y49-A51 PolarHBondContact O-N 3.43Å; Y49-Q52 PolarHBondContact O-N 2.91Å; Y49-L53 HydrophobicContact CD1-CD1 4.04Å; Y49-L53 HydrophobicContact CD2-CG 4.44Å; Y49-L53 HydrophobicContact CE1-CD1 3.59Å; Y49-L53 HydrophobicContact CE1-CG 4.2Å; Y49-L53 HydrophobicContact CE2-CD1 4.36Å; Y49-L53 HydrophobicContact CE2-CD2 4.14Å; Y49-L53 HydrophobicContact CE2-CG 4.06Å; Y49-L53 WeakPolarHBondContact O-CG 3.47Å; Y49-L53 PolarHBondContact O-N 3.42Å; Y49-V86 HydrophobicContact CD1-CG1 4.34Å; Y49-V86 HydrophobicContact CD1-CG2 3.6Å; Y49-V86 HydrophobicContact CE1-CG2 3.52Å |
| 50 | L | 89.4 | Confident | 76.7 | Confident | 2 Ų | 2 | 73.2 Ų | 73.2 | 1% | 0.01 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -60.1 | -43.8 | 173.6 | -179.6 | 60.1 | 0 | 0 | 0 | 112.3 | T46 V47 E48 Q52 L53 L54 I83 V86 R87 L90 F91 I229 | T46-L50 PolarHBondContact O-N 2.9Å; T46-L50 VanDerWaalsContact O-N 3.17Å; V47-L50 PolarHBondContact O-N 3.05Å; E48-L50 VanDerWaalsContact C-N 3.34Å; E48-L50 PolarHBondContact O-N 3.3Å; L50-Q52 VanDerWaalsContact C-N 3.3Å; L50-Q52 PolarHBondContact O-N 2.99Å; L50-L53 PolarHBondContact O-N 3.41Å; L50-L54 HydrophobicContact CD1-CD1 4.43Å; L50-L54 HydrophobicContact CD1-CG 4.42Å; L50-L54 HydrophobicContact CG-CD1 4.23Å; L50-L54 WeakPolarHBondContact O-CG 3.09Å; L50-L54 PolarHBondContact O-N 3.2Å; L50-I83 HydrophobicContact CD1-CG2 4.22Å; L50-V86 HydrophobicContact CB-CG1 3.77Å; L50-V86 HydrophobicContact CD1-CB 4.4Å; L50-V86 HydrophobicContact CD1-CG1 4.26Å; L50-V86 HydrophobicContact CG-CG1 4.46Å; L50-R87 HydrophobicContact CD1-CG 3.68Å; L50-R87 HydrophobicContact CD2-CG 3.85Å; L50-R87 HydrophobicContact CG-CG 4.45Å; L50-L90 HydrophobicContact CB-CD1 4.16Å; L50-L90 HydrophobicContact CD2-CD1 4.13Å; L50-F91 HydrophobicContact CD2-CD2 4.45Å; L50-F91 HydrophobicContact CD2-CE2 3.56Å; L50-F91 HydrophobicContact CD2-CZ 4.4Å; L50-I229 HydrophobicContact CD2-CG2 4.2Å; L50-I229 HydrophobicContact CG-CG2 4.15Å |
| 51 | A | 88.7 | Confident | 79 | Confident | 38 Ų | 38 | 71.8 Ų | 71.8 | 31% | 0.314 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.3 | -40.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | V47 E48 Y49 L54 K55 I229 | V47-A51 PolarHBondContact O-N 3.08Å; V47-A51 VanDerWaalsContact O-N 3.07Å; E48-A51 PolarHBondContact O-N 2.81Å; Y49-A51 VanDerWaalsContact C-N 3.35Å; Y49-A51 PolarHBondContact O-N 3.43Å; A51-L54 PolarHBondContact O-N 3.21Å; A51-K55 PolarHBondContact O-N 3.49Å; A51-I229 HydrophobicContact CB-CG2 4.21Å |
| 52 | Q | 88.2 | Confident | 80.9 | Confident | 89 Ų | 89 | 69.1 Ų | 69.1 | 42% | 0.416 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.4 | -46 | 174.8 | -174.8 | 58.7 | 42.9 | 0 | 0 | 111.8 | E48 Y49 L50 L54 K55 D56 | E48-Q52 PolarHBondContact O-N 3.48Å; Y49-Q52 PolarHBondContact O-N 2.91Å; L50-Q52 VanDerWaalsContact C-N 3.3Å; L50-Q52 PolarHBondContact O-N 2.99Å; Q52-L54 VanDerWaalsContact C-N 3.28Å; Q52-L54 PolarHBondContact O-N 2.91Å; Q52-K55 WeakPolarHBondContact O-CB 3.44Å; Q52-K55 PolarHBondContact O-N 3.08Å; Q52-K55 VanDerWaalsContact O-N 3.1Å; Q52-D56 PolarHBondContact NE2-OD1 3.24Å; Q52-D56 PolarHBondContact O-N 2.7Å |
| 53 | L | 89.5 | Confident | 82.4 | Confident | 9 Ų | 9 | 66.7 Ų | 66.7 | 5% | 0.047 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59.2 | -38.3 | 176.5 | -72.7 | 176.3 | 0 | 0 | 0 | 112.5 | Y49 L50 D56 K57 Q82 I83 V86 | Y49-L53 HydrophobicContact CD1-CD1 4.04Å; Y49-L53 HydrophobicContact CD2-CG 4.44Å; Y49-L53 HydrophobicContact CE1-CD1 3.59Å; Y49-L53 HydrophobicContact CE1-CG 4.2Å; Y49-L53 HydrophobicContact CE2-CD1 4.36Å; Y49-L53 HydrophobicContact CE2-CD2 4.14Å; Y49-L53 HydrophobicContact CE2-CG 4.06Å; Y49-L53 WeakPolarHBondContact O-CG 3.47Å; Y49-L53 PolarHBondContact O-N 3.42Å; L50-L53 PolarHBondContact O-N 3.41Å; L53-D56 PolarHBondContact O-N 3.32Å; L53-K57 WeakPolarHBondContact O-CB 3.44Å; L53-K57 PolarHBondContact O-N 3.01Å; L53-Q82 HydrophobicContact CD1-CB 4.04Å; L53-Q82 HydrophobicContact CD2-CB 4.38Å; L53-I83 HydrophobicContact CB-CD1 4.42Å; L53-I83 HydrophobicContact CB-CG1 3.73Å; L53-I83 HydrophobicContact CD1-CG1 4.27Å; L53-V86 HydrophobicContact CD1-CG2 3.94Å |
| 54 | L | 88 | Confident | 83.2 | Confident | 22 Ų | 22 | 66.6 Ų | 66.6 | 12% | 0.115 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -69.3 | -35.7 | 176 | -73 | 168.8 | 0 | 0 | 0 | 112.5 | L50 A51 Q52 K57 K58 I83 I229 I230 | L50-L54 HydrophobicContact CD1-CD1 4.43Å; L50-L54 HydrophobicContact CD1-CG 4.42Å; L50-L54 HydrophobicContact CG-CD1 4.23Å; L50-L54 WeakPolarHBondContact O-CG 3.09Å; L50-L54 PolarHBondContact O-N 3.2Å; A51-L54 PolarHBondContact O-N 3.21Å; Q52-L54 VanDerWaalsContact C-N 3.28Å; Q52-L54 PolarHBondContact O-N 2.91Å; L54-K57 PolarHBondContact O-N 3.47Å; L54-K58 WeakPolarHBondContact O-CG 3.41Å; L54-K58 PolarHBondContact O-N 3.42Å; L54-K58 VanDerWaalsContact O-N 3.09Å; L54-I83 HydrophobicContact CD2-CD1 4.18Å; L54-I83 HydrophobicContact CD2-CG2 4.42Å; L54-I229 HydrophobicContact CD1-CG2 3.49Å; L54-I229 VanDerWaalsContact CD1-CG2 3.49Å; L54-I230 HydrophobicContact CD1-CG1 4.36Å |
| 55 | K | 88.2 | Confident | 83.6 | Confident | 128 Ų | 128 | 68.9 Ų | 68.9 | 56% | 0.557 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -63.5 | -46.5 | 172 | -171.1 | 178.3 | 179.5 | -178.6 | 0 | 110.5 | A51 Q52 K57 K58 Q59 | A51-K55 PolarHBondContact O-N 3.49Å; Q52-K55 WeakPolarHBondContact O-CB 3.44Å; Q52-K55 PolarHBondContact O-N 3.08Å; Q52-K55 VanDerWaalsContact O-N 3.1Å; K55-K57 VanDerWaalsContact C-N 3.34Å; K55-K57 PolarHBondContact O-N 3.15Å; K55-K58 PolarHBondContact O-N 3Å; K55-K58 VanDerWaalsContact O-N 3.14Å; K55-Q59 WeakPolarHBondContact O-CG 3.44Å; K55-Q59 PolarHBondContact O-N 2.8Å |
| 56 | D | 88.3 | Confident | 83.3 | Confident | 46 Ų | 46 | 77.5 Ų | 77.5 | 25% | 0.246 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61.6 | -41.4 | 177.1 | -69.5 | -5 | 0 | 0 | 0 | 111.4 | Q52 L53 K58 Q59 L60 | Q52-D56 PolarHBondContact NE2-OD1 3.24Å; Q52-D56 PolarHBondContact O-N 2.7Å; L53-D56 PolarHBondContact O-N 3.32Å; D56-K58 VanDerWaalsContact C-N 3.35Å; D56-K58 PolarHBondContact O-N 3.35Å; D56-Q59 PolarHBondContact O-N 3.48Å; D56-L60 WeakPolarHBondContact O-CB 3.2Å; D56-L60 WeakPolarHBondContact O-CD1 2.96Å; D56-L60 WeakPolarHBondContact O-CG 3.25Å; D56-L60 PolarHBondContact O-N 3.17Å |
| 57 | K | 88.1 | Confident | 82.4 | Confident | 77 Ų | 77 | 78.2 Ų | 78.2 | 34% | 0.335 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -57.5 | -45 | 172.9 | 176.4 | 177.9 | 168.9 | 175.6 | 0 | 112.2 | L53 L54 K55 A61 V79 Y80 I83 | L53-K57 WeakPolarHBondContact O-CB 3.44Å; L53-K57 PolarHBondContact O-N 3.01Å; L54-K57 PolarHBondContact O-N 3.47Å; K55-K57 VanDerWaalsContact C-N 3.34Å; K55-K57 PolarHBondContact O-N 3.15Å; K57-A61 WeakPolarHBondContact O-CB 3.24Å; K57-A61 PolarHBondContact O-N 3.26Å; K57-V79 HydrophobicContact CB-CG1 3.91Å; K57-Y80 HydrophobicContact CD-CD1 4.43Å; K57-Y80 HydrophobicContact CD-CE1 4.04Å; K57-Y80 HydrophobicContact CG-CE1 4.42Å; K57-I83 HydrophobicContact CB-CD1 3.95Å; K57-I83 HydrophobicContact CD-CD1 3.69Å; K57-I83 HydrophobicContact CG-CD1 4.39Å |
| 58 | K | 87.2 | Confident | 81.4 | Confident | 116 Ų | 116 | 78.6 Ų | 78.6 | 50% | 0.504 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.8 | -45.8 | 177.4 | -72.9 | 178.7 | -177.3 | 178 | 0 | 111 | L54 K55 D56 A61 L62 | L54-K58 WeakPolarHBondContact O-CG 3.41Å; L54-K58 PolarHBondContact O-N 3.42Å; L54-K58 VanDerWaalsContact O-N 3.09Å; K55-K58 PolarHBondContact O-N 3Å; K55-K58 VanDerWaalsContact O-N 3.14Å; D56-K58 VanDerWaalsContact C-N 3.35Å; D56-K58 PolarHBondContact O-N 3.35Å; K58-A61 PolarHBondContact O-N 3.19Å; K58-L62 PolarHBondContact O-N 3.39Å |
| 59 | Q | 84.4 | Confident | 80.7 | Confident | 99 Ų | 99 | 80 Ų | 80 | 46% | 0.463 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.3 | -46.3 | 177.5 | -69.1 | -62.9 | -62.7 | 0 | 0 | 111.6 | K55 D56 A61 L62 F63 | K55-Q59 WeakPolarHBondContact O-CG 3.44Å; K55-Q59 PolarHBondContact O-N 2.8Å; D56-Q59 PolarHBondContact O-N 3.48Å; Q59-A61 VanDerWaalsContact C-N 3.29Å; Q59-A61 PolarHBondContact O-N 3.34Å; Q59-L62 WeakPolarHBondContact O-CB 3.33Å; Q59-L62 PolarHBondContact O-N 3.26Å; Q59-F63 WeakPolarHBondContact O-CD2 3.39Å; Q59-F63 WeakPolarHBondContact O-CE2 3.46Å |
| 60 | L | 81.9 | Confident | 80 | Confident | 17 Ų | 17 | 82.8 Ų | 82.8 | 9% | 0.089 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -61.1 | -41.3 | 177.8 | -70.6 | 166.2 | 0 | 0 | 0 | 110.5 | D56 L62 F63 R75 R76 V79 | D56-L60 WeakPolarHBondContact O-CB 3.2Å; D56-L60 WeakPolarHBondContact O-CD1 2.96Å; D56-L60 WeakPolarHBondContact O-CG 3.25Å; D56-L60 PolarHBondContact O-N 3.17Å; L60-L62 PolarHBondContact O-N 2.58Å; L60-F63 PolarHBondContact O-N 3.37Å; L60-R75 HydrophobicContact CD1-CB 4.46Å; L60-R75 HydrophobicContact CD1-CG 3.95Å; L60-R75 HydrophobicContact CD2-CB 4.41Å; L60-R75 HydrophobicContact CD2-CG 4.36Å; L60-R76 HydrophobicContact CD1-CB 4.36Å; L60-R76 PolarHBondContact O-NH2 3.38Å; L60-V79 HydrophobicContact CD1-CB 4.45Å; L60-V79 HydrophobicContact CD1-CG2 3.85Å |
| 61 | A | 82.7 | Confident | 79.3 | Confident | 63 Ų | 63 | 88.7 Ų | 88.7 | 52% | 0.521 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.6 | -24.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | K57 K58 Q59 F63 | K57-A61 WeakPolarHBondContact O-CB 3.24Å; K57-A61 PolarHBondContact O-N 3.26Å; K58-A61 PolarHBondContact O-N 3.19Å; Q59-A61 VanDerWaalsContact C-N 3.29Å; Q59-A61 PolarHBondContact O-N 3.34Å; A61-F63 VanDerWaalsContact C-N 3.28Å; A61-F63 PolarHBondContact O-N 2.99Å |
| 62 | L | 80.2 | Confident | 78.6 | Confident | 125 Ų | 125 | 87.7 Ų | 87.7 | 65% | 0.654 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -69.6 | -25.7 | 176.5 | -65.4 | 171.3 | 0 | 0 | 0 | 112.6 | K58 Q59 L60 P64 | K58-L62 PolarHBondContact O-N 3.39Å; Q59-L62 WeakPolarHBondContact O-CB 3.33Å; Q59-L62 PolarHBondContact O-N 3.26Å; L60-L62 PolarHBondContact O-N 2.58Å; L62-P64 WeakPolarHBondContact O-CD 3.48Å |
| 63 | F | 72.5 | Confident | 78 | Confident | 113 Ų | 113 | 88.2 Ų | 88.2 | 50% | 0.496 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -82 | 121.2 | 179.6 | -64.6 | -79.7 | 0 | 0 | 0 | 110.6 | Q59 L60 A61 L65 M68 R76 | Q59-F63 WeakPolarHBondContact O-CD2 3.39Å; Q59-F63 WeakPolarHBondContact O-CE2 3.46Å; L60-F63 PolarHBondContact O-N 3.37Å; A61-F63 VanDerWaalsContact C-N 3.28Å; A61-F63 PolarHBondContact O-N 2.99Å; F63-L65 PolarHBondContact O-N 2.81Å; F63-M68 HydrophobicContact CB-SD 4.33Å; F63-R76 PolarHBondContact O-NH2 3.27Å |
| 64 | P | 70.9 | Confident | 77.4 | Confident | 84 Ų | 84 | 92.6 Ų | 92.6 | 55% | 0.545 | 46% | 0.457 | S | S | . | . | trans | -60.8 | 135.5 | 174.6 | 22.1 | -29.2 | 0 | 0 | 0 | 109.7 | L62 R66 A67 | L62-P64 WeakPolarHBondContact O-CD 3.48Å; P64-R66 PolarHBondContact O-N 3.29Å; P64-A67 HydrophobicContact CG-CB 4.05Å; P64-A67 PolarHBondContact O-N 3.49Å | ||
| 65 | L | 68 | Low | 76.9 | Confident | 102 Ų | 102 | 97.6 Ų | 97.6 | 53% | 0.534 | 48% | 0.475 | S | S | . | . | G | 310 helix | trans | -51.5 | -32 | -175.5 | -74.7 | 169.8 | 0 | 0 | 0 | 113.1 | F63 A67 M68 R76 | F63-L65 PolarHBondContact O-N 2.81Å; L65-A67 VanDerWaalsContact C-N 3.35Å; L65-M68 HydrophobicContact CD2-CE 4.1Å; L65-M68 PolarHBondContact O-N 2.94Å; L65-R76 VanDerWaalsContact CD2-NH1 3.32Å |
| 66 | R | 63.4 | Low | 76.5 | Confident | 246 Ų | 246 | 93.3 Ų | 93.3 | 93% | 0.928 | 46% | 0.455 | S | S | * | . | G | 310 helix | trans | -71.2 | -24 | 179.8 | -72.9 | -176.7 | -120.5 | 166.5 | -0.5 | 114.5 | P64 | P64-R66 PolarHBondContact O-N 3.29Š|
| 67 | A | 67.5 | Low | 76 | Confident | 71 Ų | 71 | 95.1 Ų | 95.1 | 59% | 0.587 | 46% | 0.464 | S | S | * | . | G | 310 helix | trans | -98.3 | 3.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | P64 L65 N69 | P64-A67 HydrophobicContact CG-CB 4.05Å; P64-A67 PolarHBondContact O-N 3.49Å; L65-A67 VanDerWaalsContact C-N 3.35Å; A67-N69 PolarHBondContact O-N 3.34Å |
| 68 | M | 64.5 | Low | 75.8 | Confident | 29 Ų | 29 | 94.2 Ų | 94.2 | 14% | 0.143 | 47% | 0.471 | C | S | . | . | trans | -89.6 | 114.9 | -172.1 | -156.6 | 150.6 | 75.3 | 0 | 0 | 110.3 | F63 L65 G72 W73 R76 | F63-M68 HydrophobicContact CB-SD 4.33Å; L65-M68 HydrophobicContact CD2-CE 4.1Å; L65-M68 PolarHBondContact O-N 2.94Å; M68-G72 WeakPolarHBondContact CE-O 3.34Å; M68-W73 HydrophobicContact CE-CB 4.18Å; M68-R76 HydrophobicContact CE-CB 3.77Å; M68-R76 HydrophobicContact CE-CG 4.32Å | ||
| 69 | N | 74 | Confident | 75.7 | Confident | 133 Ų | 133 | 89.1 Ų | 89.1 | 71% | 0.711 | 45% | 0.45 | S | S | * | . | trans | -56.1 | 156.4 | 170.9 | -67.4 | -21.4 | 0 | 0 | 0 | 110.6 | A67 H71 G72 W73 | A67-N69 PolarHBondContact O-N 3.34Å; N69-H71 PolarHBondContact O-N 3.21Å; N69-H71 VanDerWaalsContact O-N 3.08Å; N69-G72 WeakPolarHBondContact O-CA 3.49Å; N69-G72 PolarHBondContact O-N 2.9Å; N69-W73 PolarHBondContact O-N 3.41Å | ||
| 70 | H | 74.1 | Confident | 75.8 | Confident | 129 Ų | 129 | 89.1 Ų | 89.1 | 60% | 0.597 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -51 | -38.3 | -179.6 | -160.9 | -124.5 | 0 | 0 | 0 | 112.5 | W73 F74 | H70-W73 PolarHBondContact O-N 3.19Å; H70-F74 AromaticContact CE1-CD2 3.98Å; H70-F74 AromaticContact CE1-CE2 2.96Å; H70-F74 WeakPolarHBondContact CE1-CE2 3.38Å; H70-F74 AromaticContact CE1-CZ 3.25Å; H70-F74 WeakPolarHBondContact CE1-CZ 3.38Å; H70-F74 AromaticContact CG-CE2 3.88Å; H70-F74 AromaticContact ND1-CD2 3.76Å; H70-F74 AromaticContact ND1-CE2 3.09Å; H70-F74 WeakPolarHBondContact ND1-CE2 3.32Å; H70-F74 AromaticContact ND1-CZ 3.88Å; H70-F74 AromaticContact NE2-CE2 3.67Å; H70-F74 AromaticContact NE2-CZ 3.7Å; H70-F74 VanDerWaalsContact O-CD2 3.24Å; H70-F74 WeakPolarHBondContact O-CD2 3.19Å; H70-F74 PolarHBondContact O-N 3.35Å |
| 71 | H | 75.6 | Confident | 76 | Confident | 127 Ų | 127 | 92 Ų | 92 | 59% | 0.588 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -60.8 | -42.7 | 173 | -173.1 | 59.5 | 0 | 0 | 0 | 113.9 | N69 W73 R75 | N69-H71 PolarHBondContact O-N 3.21Å; N69-H71 VanDerWaalsContact O-N 3.08Å; H71-W73 VanDerWaalsContact C-N 3.33Å; H71-R75 WeakPolarHBondContact O-CB 3.41Å; H71-R75 PolarHBondContact O-N 3.42Å |
| 72 | G | 74.3 | Confident | 76.2 | Confident | 16 Ų | 16 | 92.7 Ų | 92.7 | 17% | 0.165 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -67.7 | -35.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | M68 N69 R75 R76 | M68-G72 WeakPolarHBondContact CE-O 3.34Å; N69-G72 WeakPolarHBondContact O-CA 3.49Å; N69-G72 PolarHBondContact O-N 2.9Å; G72-R75 PolarHBondContact O-N 3.14Å; G72-R76 WeakPolarHBondContact O-CB 3.22Å; G72-R76 PolarHBondContact O-N 2.82Å |
| 73 | W | 74.9 | Confident | 76.6 | Confident | 100 Ų | 100 | 86.9 Ų | 86.9 | 38% | 0.379 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -65.6 | -48.9 | 174.6 | -175 | 71.4 | 0 | 0 | 0 | 111.9 | M68 N69 H70 H71 R75 R76 L77 | M68-W73 HydrophobicContact CE-CB 4.18Å; N69-W73 PolarHBondContact O-N 3.41Å; H70-W73 PolarHBondContact O-N 3.19Å; H71-W73 VanDerWaalsContact C-N 3.33Å; W73-R75 VanDerWaalsContact C-N 3.34Å; W73-R75 PolarHBondContact O-N 3.44Å; W73-R76 PolarHBondContact O-N 3.07Å; W73-L77 HydrophobicContact CD2-CD1 3.79Å; W73-L77 HydrophobicContact CD2-CG 4.4Å; W73-L77 HydrophobicContact CE3-CD1 3.87Å; W73-L77 HydrophobicContact CH2-CD1 3.59Å; W73-L77 HydrophobicContact CZ2-CD1 3.48Å; W73-L77 VanDerWaalsContact CZ2-CD1 3.48Å; W73-L77 HydrophobicContact CZ2-CG 4.44Å; W73-L77 HydrophobicContact CZ3-CD1 3.77Å; W73-L77 WeakPolarHBondContact O-CG 3.47Å; W73-L77 PolarHBondContact O-N 3.29Å |
| 74 | F | 77.6 | Confident | 77.3 | Confident | 102 Ų | 102 | 86 Ų | 86 | 45% | 0.447 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -59.7 | -43.3 | 173.5 | -76.2 | -54.8 | 0 | 0 | 0 | 112.7 | H70 R76 L77 A78 | H70-F74 AromaticContact CE1-CD2 3.98Å; H70-F74 AromaticContact CE1-CE2 2.96Å; H70-F74 WeakPolarHBondContact CE1-CE2 3.38Å; H70-F74 AromaticContact CE1-CZ 3.25Å; H70-F74 WeakPolarHBondContact CE1-CZ 3.38Å; H70-F74 AromaticContact CG-CE2 3.88Å; H70-F74 AromaticContact ND1-CD2 3.76Å; H70-F74 AromaticContact ND1-CE2 3.09Å; H70-F74 WeakPolarHBondContact ND1-CE2 3.32Å; H70-F74 AromaticContact ND1-CZ 3.88Å; H70-F74 AromaticContact NE2-CE2 3.67Å; H70-F74 AromaticContact NE2-CZ 3.7Å; H70-F74 VanDerWaalsContact O-CD2 3.24Å; H70-F74 WeakPolarHBondContact O-CD2 3.19Å; H70-F74 PolarHBondContact O-N 3.35Å; F74-R76 VanDerWaalsContact C-N 3.31Å; F74-R76 PolarHBondContact O-N 3.42Å; F74-L77 PolarHBondContact O-N 3.49Å; F74-A78 VanDerWaalsContact O-CB 3.32Å; F74-A78 WeakPolarHBondContact O-CB 3.5Å; F74-A78 PolarHBondContact O-N 2.88Å |
| 75 | R | 77.4 | Confident | 78.1 | Confident | 127 Ų | 127 | 87.8 Ų | 87.8 | 48% | 0.479 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60 | -43.6 | 176.4 | -168.3 | -178.4 | -76.1 | -152 | -3.7 | 110.9 | L60 H71 G72 W73 A78 V79 | L60-R75 HydrophobicContact CD1-CB 4.46Å; L60-R75 HydrophobicContact CD1-CG 3.95Å; L60-R75 HydrophobicContact CD2-CB 4.41Å; L60-R75 HydrophobicContact CD2-CG 4.36Å; H71-R75 WeakPolarHBondContact O-CB 3.41Å; H71-R75 PolarHBondContact O-N 3.42Å; G72-R75 PolarHBondContact O-N 3.14Å; W73-R75 VanDerWaalsContact C-N 3.34Å; W73-R75 PolarHBondContact O-N 3.44Å; R75-A78 PolarHBondContact O-N 2.89Å; R75-V79 VanDerWaalsContact O-CG2 3.22Å; R75-V79 WeakPolarHBondContact O-CG2 3.36Å; R75-V79 PolarHBondContact O-N 3.32Å |
| 76 | R | 78.9 | Confident | 79 | Confident | 37 Ų | 37 | 82.9 Ų | 82.9 | 14% | 0.14 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -61.1 | -45.1 | 175.2 | -176.9 | 179.5 | -71.5 | -165.5 | 11.1 | 111.7 | L60 F63 L65 M68 G72 W73 F74 V79 Y80 | L60-R76 HydrophobicContact CD1-CB 4.36Å; L60-R76 PolarHBondContact O-NH2 3.38Å; F63-R76 PolarHBondContact O-NH2 3.27Å; L65-R76 VanDerWaalsContact CD2-NH1 3.32Å; M68-R76 HydrophobicContact CE-CB 3.77Å; M68-R76 HydrophobicContact CE-CG 4.32Å; G72-R76 WeakPolarHBondContact O-CB 3.22Å; G72-R76 PolarHBondContact O-N 2.82Å; W73-R76 PolarHBondContact O-N 3.07Å; F74-R76 VanDerWaalsContact C-N 3.31Å; F74-R76 PolarHBondContact O-N 3.42Å; R76-V79 PolarHBondContact O-N 3.48Å; R76-Y80 HydrophobicContact CG-CE2 3.78Å; R76-Y80 WeakPolarHBondContact O-CD2 3.09Å; R76-Y80 WeakPolarHBondContact O-CE2 3.45Å |
| 77 | L | 79 | Confident | 80.1 | Confident | 85 Ų | 85 | 72.8 Ų | 72.8 | 45% | 0.445 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.8 | -38.2 | 177.5 | -72.5 | 178.7 | 0 | 0 | 0 | 112.7 | W73 F74 P81 | W73-L77 HydrophobicContact CD2-CD1 3.79Å; W73-L77 HydrophobicContact CD2-CG 4.4Å; W73-L77 HydrophobicContact CE3-CD1 3.87Å; W73-L77 HydrophobicContact CH2-CD1 3.59Å; W73-L77 HydrophobicContact CZ2-CD1 3.48Å; W73-L77 VanDerWaalsContact CZ2-CD1 3.48Å; W73-L77 HydrophobicContact CZ2-CG 4.44Å; W73-L77 HydrophobicContact CZ3-CD1 3.77Å; W73-L77 WeakPolarHBondContact O-CG 3.47Å; W73-L77 PolarHBondContact O-N 3.29Å; F74-L77 PolarHBondContact O-N 3.49Å; L77-P81 WeakPolarHBondContact O-CD 3.37Å |
| 78 | A | 82.6 | Confident | 80.8 | Confident | 58 Ų | 58 | 71.5 Ų | 71.5 | 48% | 0.479 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -71.8 | -30.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | F74 R75 Q82 | F74-A78 VanDerWaalsContact O-CB 3.32Å; F74-A78 WeakPolarHBondContact O-CB 3.5Å; F74-A78 PolarHBondContact O-N 2.88Å; R75-A78 PolarHBondContact O-N 2.89Å; A78-Q82 VanDerWaalsContact O-CG 3.22Å; A78-Q82 WeakPolarHBondContact O-CG 2.95Å; A78-Q82 PolarHBondContact O-N 3.19Å |
| 79 | V | 86.2 | Confident | 81.7 | Confident | 9 Ų | 9 | 73.5 Ų | 73.5 | 6% | 0.055 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -68.4 | -40.3 | -176.6 | 167.1 | 0 | 0 | 0 | 0 | 112.7 | K57 L60 R75 R76 Q82 I83 | K57-V79 HydrophobicContact CB-CG1 3.91Å; L60-V79 HydrophobicContact CD1-CB 4.45Å; L60-V79 HydrophobicContact CD1-CG2 3.85Å; R75-V79 VanDerWaalsContact O-CG2 3.22Å; R75-V79 WeakPolarHBondContact O-CG2 3.36Å; R75-V79 PolarHBondContact O-N 3.32Å; R76-V79 PolarHBondContact O-N 3.48Å; V79-Q82 PolarHBondContact O-N 3.25Å; V79-I83 HydrophobicContact CG1-CD1 3.48Å; V79-I83 VanDerWaalsContact CG1-CD1 3.48Å; V79-I83 HydrophobicContact CG1-CG1 4.08Å; V79-I83 VanDerWaalsContact O-CG1 3.29Å; V79-I83 WeakPolarHBondContact O-CG1 3.4Å; V79-I83 PolarHBondContact O-N 3.41Å |
| 80 | Y | 85.1 | Confident | 82.1 | Confident | 98 Ų | 98 | 68.9 Ų | 68.9 | 38% | 0.384 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.9 | -48.7 | -175.9 | -64.1 | -89.5 | 0 | 0 | 0 | 113.9 | K57 R76 Q82 I83 N84 | K57-Y80 HydrophobicContact CD-CD1 4.43Å; K57-Y80 HydrophobicContact CD-CE1 4.04Å; K57-Y80 HydrophobicContact CG-CE1 4.42Å; R76-Y80 HydrophobicContact CG-CE2 3.78Å; R76-Y80 WeakPolarHBondContact O-CD2 3.09Å; R76-Y80 WeakPolarHBondContact O-CE2 3.45Å; Y80-Q82 VanDerWaalsContact C-N 3.3Å; Y80-Q82 PolarHBondContact O-N 2.8Å; Y80-I83 PolarHBondContact O-N 3.48Å; Y80-N84 PolarHBondContact O-N 3.41Å; Y80-N84 VanDerWaalsContact O-N 3.07Å |
| 81 | P | 87.4 | Confident | 82.4 | Confident | 79 Ų | 79 | 63.6 Ų | 63.6 | 51% | 0.513 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.3 | -39 | 175.9 | -23.2 | 34.6 | 0 | 0 | 0 | 112.3 | L77 N84 K85 | L77-P81 WeakPolarHBondContact O-CD 3.37Å; P81-N84 PolarHBondContact O-N 3.38Å; P81-K85 WeakPolarHBondContact O-CB 3.42Å; P81-K85 PolarHBondContact O-N 3.17Å |
| 82 | Q | 87.1 | Confident | 82.4 | Confident | 76 Ų | 76 | 58.9 Ų | 58.9 | 36% | 0.355 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64 | -43.3 | 176.7 | -69.7 | -67.5 | -14.5 | 0 | 0 | 111.7 | L53 A78 V79 Y80 N84 K85 V86 | L53-Q82 HydrophobicContact CD1-CB 4.04Å; L53-Q82 HydrophobicContact CD2-CB 4.38Å; A78-Q82 VanDerWaalsContact O-CG 3.22Å; A78-Q82 WeakPolarHBondContact O-CG 2.95Å; A78-Q82 PolarHBondContact O-N 3.19Å; V79-Q82 PolarHBondContact O-N 3.25Å; Y80-Q82 VanDerWaalsContact C-N 3.3Å; Y80-Q82 PolarHBondContact O-N 2.8Å; Q82-N84 VanDerWaalsContact C-N 3.33Å; Q82-N84 PolarHBondContact O-N 3.45Å; Q82-K85 PolarHBondContact O-N 3.48Å; Q82-V86 WeakPolarHBondContact O-CB 3.29Å; Q82-V86 VanDerWaalsContact O-CG2 3.26Å; Q82-V86 WeakPolarHBondContact O-CG2 3.44Å; Q82-V86 PolarHBondContact O-N 2.88Å |
| 83 | I | 88.4 | Confident | 82.2 | Confident | 4 Ų | 4 | 59.8 Ų | 59.8 | 2% | 0.021 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -57 | -48.7 | 173.8 | -72.4 | 168.1 | 0 | 0 | 0 | 110.3 | L50 L53 L54 K57 V79 Y80 K85 V86 R87 | L50-I83 HydrophobicContact CD1-CG2 4.22Å; L53-I83 HydrophobicContact CB-CD1 4.42Å; L53-I83 HydrophobicContact CB-CG1 3.73Å; L53-I83 HydrophobicContact CD1-CG1 4.27Å; L54-I83 HydrophobicContact CD2-CD1 4.18Å; L54-I83 HydrophobicContact CD2-CG2 4.42Å; K57-I83 HydrophobicContact CB-CD1 3.95Å; K57-I83 HydrophobicContact CD-CD1 3.69Å; K57-I83 HydrophobicContact CG-CD1 4.39Å; V79-I83 HydrophobicContact CG1-CD1 3.48Å; V79-I83 VanDerWaalsContact CG1-CD1 3.48Å; V79-I83 HydrophobicContact CG1-CG1 4.08Å; V79-I83 VanDerWaalsContact O-CG1 3.29Å; V79-I83 WeakPolarHBondContact O-CG1 3.4Å; V79-I83 PolarHBondContact O-N 3.41Å; Y80-I83 PolarHBondContact O-N 3.48Å; I83-K85 VanDerWaalsContact C-N 3.34Å; I83-K85 PolarHBondContact O-N 3.49Å; I83-V86 PolarHBondContact O-N 3.18Å; I83-R87 HydrophobicContact CG2-CG 4.2Å; I83-R87 VanDerWaalsContact O-CB 3.26Å; I83-R87 WeakPolarHBondContact O-CB 3.22Å; I83-R87 WeakPolarHBondContact O-CG 3.42Å; I83-R87 PolarHBondContact O-N 3.43Å |
| 84 | N | 86.9 | Confident | 81.8 | Confident | 93 Ų | 93 | 62.4 Ų | 62.4 | 50% | 0.497 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.2 | -40.5 | -179.3 | -69.3 | -16.2 | 0 | 0 | 0 | 111.7 | Y80 P81 Q82 R87 A88 | Y80-N84 PolarHBondContact O-N 3.41Å; Y80-N84 VanDerWaalsContact O-N 3.07Å; P81-N84 PolarHBondContact O-N 3.38Å; Q82-N84 VanDerWaalsContact C-N 3.33Å; Q82-N84 PolarHBondContact O-N 3.45Å; N84-R87 PolarHBondContact O-N 3.1Å; N84-A88 WeakPolarHBondContact O-CB 3.41Å; N84-A88 PolarHBondContact O-N 3.32Å |
| 85 | K | 86.8 | Confident | 80.9 | Confident | 122 Ų | 122 | 58.1 Ų | 58.1 | 53% | 0.53 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.2 | -47.9 | 177.3 | -173.9 | -177.4 | 179.6 | -179.6 | 0 | 112.2 | P81 Q82 I83 S89 | P81-K85 WeakPolarHBondContact O-CB 3.42Å; P81-K85 PolarHBondContact O-N 3.17Å; Q82-K85 PolarHBondContact O-N 3.48Å; I83-K85 VanDerWaalsContact C-N 3.34Å; I83-K85 PolarHBondContact O-N 3.49Å; K85-S89 PolarHBondContact O-N 3.09Å |
| 86 | V | 86.9 | Confident | 80 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.7 | -41 | 179 | 178.1 | 0 | 0 | 0 | 0 | 110.4 | Y49 L50 L53 Q82 I83 S89 L90 | Y49-V86 HydrophobicContact CD1-CG1 4.34Å; Y49-V86 HydrophobicContact CD1-CG2 3.6Å; Y49-V86 HydrophobicContact CE1-CG2 3.52Å; L50-V86 HydrophobicContact CB-CG1 3.77Å; L50-V86 HydrophobicContact CD1-CB 4.4Å; L50-V86 HydrophobicContact CD1-CG1 4.26Å; L50-V86 HydrophobicContact CG-CG1 4.46Å; L53-V86 HydrophobicContact CD1-CG2 3.94Å; Q82-V86 WeakPolarHBondContact O-CB 3.29Å; Q82-V86 VanDerWaalsContact O-CG2 3.26Å; Q82-V86 WeakPolarHBondContact O-CG2 3.44Å; Q82-V86 PolarHBondContact O-N 2.88Å; I83-V86 PolarHBondContact O-N 3.18Å; V86-S89 PolarHBondContact O-N 3.48Å; V86-L90 HydrophobicContact CG1-CD1 3.69Å; V86-L90 HydrophobicContact CG1-CG 4.23Å; V86-L90 WeakPolarHBondContact O-CB 3.26Å; V86-L90 WeakPolarHBondContact O-CG 3.27Å; V86-L90 PolarHBondContact O-N 3.04Å |
| 87 | R | 86.8 | Confident | 79.1 | Confident | 33 Ų | 33 | 61.7 Ų | 61.7 | 13% | 0.125 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.1 | -46.8 | 176.2 | -73.7 | 174.5 | 75.5 | -174.6 | 8.9 | 112.3 | L50 I83 N84 S89 L90 F91 E226 | L50-R87 HydrophobicContact CD1-CG 3.68Å; L50-R87 HydrophobicContact CD2-CG 3.85Å; L50-R87 HydrophobicContact CG-CG 4.45Å; I83-R87 HydrophobicContact CG2-CG 4.2Å; I83-R87 VanDerWaalsContact O-CB 3.26Å; I83-R87 WeakPolarHBondContact O-CB 3.22Å; I83-R87 WeakPolarHBondContact O-CG 3.42Å; I83-R87 PolarHBondContact O-N 3.43Å; N84-R87 PolarHBondContact O-N 3.1Å; R87-S89 PolarHBondContact O-N 2.91Å; R87-L90 PolarHBondContact O-N 3.3Å; R87-F91 WeakPolarHBondContact O-CB 3.49Å; R87-F91 PolarHBondContact O-N 3.4Å; R87-E226 IonicContact CZ-OE1 3.05Å; R87-E226 IonicContact NE-OE1 3.61Å; R87-E226 PolarHBondContact NE-OE1 3.23Å; R87-E226 IonicContact NH2-OE1 2.68Å; R87-E226 PolarHBondContact NH2-OE1 3.3Å |
| 88 | A | 82.6 | Confident | 78.3 | Confident | 45 Ų | 45 | 63.7 Ų | 63.7 | 37% | 0.372 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -57 | -51.8 | 174 | 0 | 0 | 0 | 0 | 0 | 109.8 | N84 L90 F91 T92 | N84-A88 WeakPolarHBondContact O-CB 3.41Å; N84-A88 PolarHBondContact O-N 3.32Å; A88-L90 VanDerWaalsContact C-N 3.29Å; A88-L90 PolarHBondContact O-N 2.99Å; A88-L90 VanDerWaalsContact O-N 3.16Å; A88-F91 PolarHBondContact O-N 3.29Å; A88-T92 WeakPolarHBondContact O-CA 3.12Å; A88-T92 WeakPolarHBondContact O-CB 3.26Å; A88-T92 PolarHBondContact O-N 3.48Å; A88-T92 PolarHBondContact O-OG1 3.43Å |
| 89 | S | 83.6 | Confident | 77.5 | Confident | 70 Ų | 70 | 65.1 Ų | 65.1 | 49% | 0.49 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.4 | -32.6 | -179.7 | -174.1 | 0 | 0 | 0 | 0 | 115.1 | H45 K85 V86 R87 | H45-S89 WeakPolarHBondContact ND1-CB 3.24Å; H45-S89 PolarHBondContact ND1-OG 3.41Å; K85-S89 PolarHBondContact O-N 3.09Å; V86-S89 PolarHBondContact O-N 3.48Å; R87-S89 PolarHBondContact O-N 2.91Å |
| 90 | L | 82 | Confident | 76.7 | Confident | 36 Ų | 36 | 67.4 Ų | 67.4 | 19% | 0.188 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -88.6 | -35.5 | -177.3 | -73.7 | 176.4 | 0 | 0 | 0 | 113.5 | H45 V47 L50 V86 R87 A88 | H45-L90 VanDerWaalsContact O-CD2 3.3Å; H45-L90 WeakPolarHBondContact O-CD2 3.34Å; V47-L90 HydrophobicContact CG2-CD1 4.29Å; V47-L90 HydrophobicContact CG2-CD2 4.23Å; L50-L90 HydrophobicContact CB-CD1 4.16Å; L50-L90 HydrophobicContact CD2-CD1 4.13Å; V86-L90 HydrophobicContact CG1-CD1 3.69Å; V86-L90 HydrophobicContact CG1-CG 4.23Å; V86-L90 WeakPolarHBondContact O-CB 3.26Å; V86-L90 WeakPolarHBondContact O-CG 3.27Å; V86-L90 PolarHBondContact O-N 3.04Å; R87-L90 PolarHBondContact O-N 3.3Å; A88-L90 VanDerWaalsContact C-N 3.29Å; A88-L90 PolarHBondContact O-N 2.99Å; A88-L90 VanDerWaalsContact O-N 3.16Å |
| 91 | F | 80.6 | Confident | 76.3 | Confident | 19 Ų | 19 | 69.4 Ų | 69.4 | 8% | 0.083 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -123.8 | 7.7 | -167 | -55.7 | -69.5 | 0 | 0 | 0 | 113.6 | L50 R87 A88 I93 K222 M225 E226 I229 | L50-F91 HydrophobicContact CD2-CD2 4.45Å; L50-F91 HydrophobicContact CD2-CE2 3.56Å; L50-F91 HydrophobicContact CD2-CZ 4.4Å; R87-F91 WeakPolarHBondContact O-CB 3.49Å; R87-F91 PolarHBondContact O-N 3.4Å; A88-F91 PolarHBondContact O-N 3.29Å; F91-I93 PolarHBondContact O-N 2.93Å; F91-K222 HydrophobicContact CD1-CB 4.06Å; F91-K222 WeakPolarHBondContact CD1-O 3.41Å; F91-K222 VanDerWaalsContact CE1-O 3.23Å; F91-K222 WeakPolarHBondContact CE1-O 3.35Å; F91-M225 HydrophobicContact CD1-CE 4.41Å; F91-M225 HydrophobicContact CE1-CB 4.31Å; F91-M225 HydrophobicContact CE1-CE 3.45Å; F91-M225 VanDerWaalsContact CE1-CE 3.45Å; F91-M225 HydrophobicContact CE1-CG 4.22Å; F91-M225 HydrophobicContact CZ-CE 4.02Å; F91-M225 HydrophobicContact CZ-CG 4.39Å; F91-E226 HydrophobicContact CD1-CB 3.92Å; F91-E226 HydrophobicContact CD2-CB 4.01Å; F91-E226 HydrophobicContact CD2-CG 3.83Å; F91-E226 HydrophobicContact CE1-CB 3.66Å; F91-E226 HydrophobicContact CE1-CG 4.49Å; F91-E226 HydrophobicContact CE2-CB 3.77Å; F91-E226 HydrophobicContact CE2-CG 3.72Å; F91-E226 HydrophobicContact CG-CB 4.1Å; F91-E226 HydrophobicContact CG-CG 4.29Å; F91-E226 HydrophobicContact CZ-CB 3.6Å; F91-E226 HydrophobicContact CZ-CG 4.08Å; F91-I229 HydrophobicContact CZ-CD1 3.88Å |
| 92 | T | 74.5 | Confident | 76 | Confident | 28 Ų | 28 | 68 Ų | 68 | 17% | 0.172 | 36% | 0.359 | C | S | . | . | trans | -53.6 | 122.2 | 171.3 | -76.6 | 0 | 0 | 0 | 0 | 108.8 | A88 R97 | A88-T92 WeakPolarHBondContact O-CA 3.12Å; A88-T92 WeakPolarHBondContact O-CB 3.26Å; A88-T92 PolarHBondContact O-N 3.48Å; A88-T92 PolarHBondContact O-OG1 3.43Å; T92-R97 VanDerWaalsContact CG2-NH2 3.33Å | ||
| 93 | I | 71.2 | Confident | 75.9 | Confident | 35 Ų | 35 | 67.1 Ų | 67.1 | 18% | 0.179 | 36% | 0.36 | C | S | . | . | trans | -67.6 | 130.4 | 170.6 | -55.5 | 173.2 | 0 | 0 | 0 | 105.3 | F91 C95 T139 L219 | F91-I93 PolarHBondContact O-N 2.93Å; I93-C95 PolarHBondContact O-N 3.44Å; I93-T139 HydrophobicContact CD1-CG2 3.16Å; I93-L219 HydrophobicContact CD1-CD1 4.03Å; I93-L219 HydrophobicContact CG1-CD1 3.75Å; I93-L219 HydrophobicContact CG2-CD1 4.29Å | ||
| 94 | E | 66.8 | Low | 75.9 | Confident | 154 Ų | 154 | 74.6 Ų | 74.6 | 72% | 0.72 | 39% | 0.394 | S | S | * | . | trans | -73 | 68.8 | 169.2 | -68.9 | 157.5 | -142.5 | 0 | 0 | 107.6 | K222 | E94-K222 IonicContact OE1-NZ 3.08Š| ||
| 95 | C | 57.9 | Low | 76 | Confident | 13 Ų | 13 | 74.2 Ų | 74.2 | 9% | 0.088 | 40% | 0.397 | C | S | . | . | trans | -59.2 | 146.3 | 154 | 62.3 | 0 | 0 | 0 | 0 | 106.3 | I93 R97 E146 | I93-C95 PolarHBondContact O-N 3.44Å; C95-R97 PolarHBondContact O-N 3.44Å; C95-E146 VanDerWaalsContact CB-OE2 3.26Å; C95-E146 WeakPolarHBondContact CB-OE2 3.42Å; C95-E146 PolarHBondContact SG-OE1 3.31Å; C95-E146 PolarHBondContact SG-OE2 3.5Å | ||
| 96 | N | 58.9 | Low | 76 | Confident | 56 Ų | 56 | 74.4 Ų | 74.4 | 30% | 0.299 | 40% | 0.4 | S | S | . | . | trans | -63.1 | 111.4 | 176.5 | 177.9 | -5.2 | 0 | 0 | 0 | 107.1 | E98 R200 E204 | N96-E98 PolarHBondContact ND2-OE1 3.24Å; N96-E98 PolarHBondContact ND2-OE2 3.5Å; N96-E98 PolarHBondContact O-N 3.24Å; N96-E98 VanDerWaalsContact O-N 3.16Å; N96-E98 VanDerWaalsContact OD1-CD 3.24Å; N96-E98 VanDerWaalsContact OD1-CG 3.23Å; N96-E98 WeakPolarHBondContact OD1-CG 3.15Å; N96-E98 PolarHBondContact OD1-N 3.07Å; N96-E98 PolarHBondContact OD1-OE1 2.97Å; N96-R200 VanDerWaalsContact CG-NH2 3.33Å; N96-R200 PolarHBondContact O-NH2 2.93Å; N96-E204 PolarHBondContact N-OE1 2.86Å | ||
| 97 | R | 59.7 | Low | 76.1 | Confident | 182 Ų | 182 | 77.8 Ų | 77.8 | 69% | 0.687 | 44% | 0.435 | S | S | * | . | trans | -77.1 | 8.6 | -172.5 | -73.4 | -171.1 | -177.2 | 149.8 | 2.3 | 113.7 | T92 C95 A99 | T92-R97 VanDerWaalsContact CG2-NH2 3.33Å; C95-R97 PolarHBondContact O-N 3.44Å; R97-A99 PolarHBondContact O-N 3.36Å | ||
| 98 | E | 63 | Low | 76.3 | Confident | 128 Ų | 128 | 80.6 Ų | 80.6 | 60% | 0.598 | 46% | 0.46 | S | S | * | . | trans | -50.1 | 108.2 | 169.1 | -78.1 | 160.7 | -156.6 | 0 | 0 | 109 | N96 L100 | N96-E98 PolarHBondContact ND2-OE1 3.24Å; N96-E98 PolarHBondContact ND2-OE2 3.5Å; N96-E98 PolarHBondContact O-N 3.24Å; N96-E98 VanDerWaalsContact O-N 3.16Å; N96-E98 VanDerWaalsContact OD1-CD 3.24Å; N96-E98 VanDerWaalsContact OD1-CG 3.23Å; N96-E98 WeakPolarHBondContact OD1-CG 3.15Å; N96-E98 PolarHBondContact OD1-N 3.07Å; N96-E98 PolarHBondContact OD1-OE1 2.97Å; E98-L100 PolarHBondContact O-N 3.17Å; E98-L100 VanDerWaalsContact O-N 3.1Å | ||
| 99 | A | 64.9 | Low | 76.9 | Confident | 88 Ų | 88 | 83.7 Ų | 83.7 | 73% | 0.727 | 47% | 0.474 | S | S | * | . | trans | -57.2 | 120 | 177.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | R97 V101 | R97-A99 PolarHBondContact O-N 3.36Å; A99-V101 PolarHBondContact O-N 3.13Å | ||
| 100 | L | 68.7 | Low | 77.4 | Confident | 56 Ų | 56 | 82.5 Ų | 82.5 | 29% | 0.293 | 46% | 0.463 | S | S | . | . | trans | -58.6 | 110 | 178.7 | -68.4 | 175.2 | 0 | 0 | 0 | 108.3 | E98 L102 R200 | E98-L100 PolarHBondContact O-N 3.17Å; E98-L100 VanDerWaalsContact O-N 3.1Å; L100-L102 HydrophobicContact CB-CD2 4.06Å; L100-L102 HydrophobicContact CB-CG 3.99Å; L100-L102 PolarHBondContact O-N 3.26Å; L100-R200 HydrophobicContact CD1-CB 4.41Å; L100-R200 HydrophobicContact CD1-CG 4.34Å; L100-R200 HydrophobicContact CD2-CB 4.11Å; L100-R200 HydrophobicContact CD2-CG 4Å | ||
| 101 | V | 77.7 | Confident | 78 | Confident | 141 Ų | 141 | 84.4 Ų | 84.4 | 86% | 0.855 | 48% | 0.477 | S | S | * | . | trans | -72.1 | 91.6 | 167.4 | -177.7 | 0 | 0 | 0 | 0 | 105.8 | A99 | A99-V101 PolarHBondContact O-N 3.13Š| ||
| 102 | L | 81.3 | Confident | 78.7 | Confident | 49 Ų | 49 | 86.6 Ų | 86.6 | 26% | 0.257 | 49% | 0.489 | S | S | . | . | P | Polyproline II helix | trans | -83.6 | 135 | -179.6 | -66.5 | 172.3 | 0 | 0 | 0 | 109.1 | L100 R193 V196 K197 | L100-L102 HydrophobicContact CB-CD2 4.06Å; L100-L102 HydrophobicContact CB-CG 3.99Å; L100-L102 PolarHBondContact O-N 3.26Å; L102-R193 VanDerWaalsContact CD1-NH2 3.25Å; L102-V196 HydrophobicContact CD2-CB 4.29Å; L102-V196 HydrophobicContact CD2-CG1 4.04Å; L102-K197 HydrophobicContact CD2-CG 4.09Å |
| 103 | P | 85.4 | Confident | 79.7 | Confident | 57 Ų | 57 | 90.9 Ų | 90.9 | 37% | 0.37 | 51% | 0.507 | S | S | . | . | P | Polyproline II helix | trans | -65 | 164.1 | 172.7 | 29.1 | -34.5 | 0 | 0 | 0 | 110.8 | N192 R193 | P103-N192 HydrophobicContact CG-CB 4.4Å; P103-R193 HydrophobicContact CG-CG 4.13Å; P103-R193 WeakPolarHBondContact O-CD 3.41Å; P103-R193 WeakPolarHBondContact O-CG 3.43Å |
| 104 | E | 88 | Confident | 80.9 | Confident | 161 Ų | 161 | 92.7 Ų | 92.7 | 75% | 0.752 | 52% | 0.515 | S | S | * | . | P | Polyproline II helix | trans | -58.9 | 146.4 | 172.6 | -67.5 | -167.1 | 170.8 | 0 | 0 | 111 | E106 | E104-E106 PolarHBondContact O-N 3.44Š|
| 105 | P | 89.6 | Confident | 82.3 | Confident | 86 Ų | 86 | 90.4 Ų | 90.4 | 56% | 0.558 | 50% | 0.502 | S | S | * | . | trans | -71 | 103.9 | -178.6 | 28.5 | -33.4 | 0 | 0 | 0 | 110.6 | T190 | P105-T190 HydrophobicContact CB-CG2 3.67Š| ||
| 106 | E | 87.1 | Confident | 84.1 | Confident | 125 Ų | 125 | 90.4 Ų | 90.4 | 58% | 0.584 | 50% | 0.502 | S | S | * | . | trans | -103.4 | 128.8 | 173.7 | -65.9 | 178.6 | 174.1 | 0 | 0 | 111.4 | E104 T190 N192 | E104-E106 PolarHBondContact O-N 3.44Å; E106-T190 WeakPolarHBondContact O-CB 3.42Å; E106-N192 PolarHBondContact OE2-ND2 3.39Å | ||
| 107 | G | 88.5 | Confident | 85.9 | Confident | 72 Ų | 72 | 93.5 Ų | 93.5 | 74% | 0.742 | 51% | 0.51 | S | S | * | . | S | Bend | trans | 89.2 | -169.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 108 | S | 91.6 | Very high | 87.6 | Confident | 92 Ų | 92 | 85.4 Ų | 85.4 | 64% | 0.643 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -75.6 | 153.4 | 178.7 | 54.9 | 0 | 0 | 0 | 0 | 112 | V110 | S108-V110 PolarHBondContact O-N 3.38Š|
| 109 | V | 93.6 | Very high | 89 | Confident | 109 Ų | 109 | 80.9 Ų | 80.9 | 66% | 0.661 | 46% | 0.463 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 126.8 | 170.7 | -179.2 | 0 | 0 | 0 | 0 | 109.1 | ||
| 110 | V | 94.2 | Very high | 90.3 | Very high | 45 Ų | 45 | 79.3 Ų | 79.3 | 27% | 0.273 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 150.8 | 177.3 | -65 | 0 | 0 | 0 | 0 | 110 | S108 L112 E189 A191 | S108-V110 PolarHBondContact O-N 3.38Å; V110-L112 HydrophobicContact CG2-CD2 4.47Å; V110-L112 HydrophobicContact CG2-CG 4.22Å; V110-E189 WeakPolarHBondContact CG2-O 3.23Å; V110-E189 PolarHBondContact N-O 2.71Å; V110-E189 PolarHBondContact O-N 3.42Å; V110-E189 VanDerWaalsContact O-N 3.16Å; V110-A191 HydrophobicContact CG2-CB 3.89Å |
| 111 | T | 95.3 | Very high | 91.3 | Very high | 77 Ų | 77 | 84.6 Ų | 84.6 | 47% | 0.472 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 109.1 | 173.3 | -50.7 | 0 | 0 | 0 | 0 | 108.7 | Q186 C187 E188 | T111-Q186 HydrophobicContact CG2-CG 3.76Å; T111-C187 WeakPolarHBondContact CA-O 3.24Å; T111-E188 HydrophobicContact CG2-CG 3.88Å |
| 112 | L | 94.8 | Very high | 92 | Very high | 64 Ų | 64 | 84.6 Ų | 84.6 | 34% | 0.335 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 144 | 174.4 | -65.2 | -175 | 0 | 0 | 0 | 110 | V110 Q186 C187 A194 I198 | V110-L112 HydrophobicContact CG2-CD2 4.47Å; V110-L112 HydrophobicContact CG2-CG 4.22Å; L112-Q186 WeakPolarHBondContact O-CA 3.4Å; L112-C187 PolarHBondContact N-O 3.16Å; L112-C187 PolarHBondContact O-N 2.86Å; L112-A194 HydrophobicContact CB-CB 4.45Å; L112-A194 HydrophobicContact CD1-CB 3.66Å; L112-A194 HydrophobicContact CG-CB 4.12Å; L112-I198 HydrophobicContact CB-CD1 3.31Å; L112-I198 HydrophobicContact CD1-CD1 4.41Å; L112-I198 HydrophobicContact CG-CD1 4.5Å |
| 113 | Q | 95.8 | Very high | 92.5 | Very high | 118 Ų | 118 | 87.5 Ų | 87.5 | 55% | 0.551 | 47% | 0.466 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134 | 137.9 | 179.8 | -67.2 | -177.7 | -8.4 | 0 | 0 | 110.4 | L184 I185 Q186 | Q113-L184 HydrophobicContact CB-CD1 4.2Å; Q113-I185 CarbonylContact C-O 3.53Å; Q113-I185 VanDerWaalsContact CA-O 3.26Å; Q113-I185 WeakPolarHBondContact CA-O 3.47Å; Q113-Q186 HydrophobicContact CG-CB 4.05Å; Q113-Q186 HydrophobicContact CG-CG 3.98Å; Q113-Q186 VanDerWaalsContact NE2-OE1 3.09Å |
| 114 | E | 96.3 | Very high | 92.7 | Very high | 73 Ų | 73 | 90 Ų | 90 | 34% | 0.341 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 136.7 | 174.6 | -170.9 | 166.5 | 158 | 0 | 0 | 110.2 | I185 I198 V202 | E114-I185 PolarHBondContact N-O 2.84Å; E114-I185 PolarHBondContact O-N 3.33Å; E114-I198 HydrophobicContact CB-CG2 3.73Å; E114-I198 HydrophobicContact CG-CG2 4.46Å; E114-I198 WeakPolarHBondContact OE2-CG2 3.22Å; E114-V202 HydrophobicContact CB-CG2 4.45Å; E114-V202 HydrophobicContact CG-CG2 4.08Å; E114-V202 VanDerWaalsContact OE1-CG2 3.28Å; E114-V202 WeakPolarHBondContact OE1-CG2 3.49Å; E114-V202 WeakPolarHBondContact OE2-CG2 3.3Å |
| 115 | K | 96.3 | Very high | 92.7 | Very high | 106 Ų | 106 | 91.7 Ų | 91.7 | 46% | 0.461 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 125 | 177.6 | -68.3 | -176 | 175.1 | -170.5 | 0 | 109.7 | D179 L184 | K115-D179 IonicContact NZ-OD2 3.54Å; K115-D179 PolarHBondContact NZ-OD2 3.32Å; K115-L184 HydrophobicContact CG-CD1 3.9Å |
| 116 | V | 96.4 | Very high | 92.8 | Very high | 13 Ų | 13 | 89.4 Ų | 89.4 | 8% | 0.079 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 112.2 | 174.1 | -174.1 | 0 | 0 | 0 | 0 | 108.9 | H182 V183 I185 V202 V205 K206 L209 | V116-H182 CarbonylContact O-C 3.58Å; V116-H182 VanDerWaalsContact O-CA 3.31Å; V116-H182 WeakPolarHBondContact O-CA 3.45Å; V116-H182 WeakPolarHBondContact O-CB 3.19Å; V116-V183 PolarHBondContact N-O 2.8Å; V116-V183 PolarHBondContact O-N 3.08Å; V116-I185 HydrophobicContact CG2-CD1 3.97Å; V116-V202 HydrophobicContact CG2-CG1 4.17Å; V116-V202 HydrophobicContact CG2-CG2 4.21Å; V116-V205 HydrophobicContact CB-CG1 4.41Å; V116-V205 HydrophobicContact CG1-CG1 4.26Å; V116-K206 HydrophobicContact CG1-CG 4.48Å; V116-L209 HydrophobicContact CG1-CD1 3.64Å |
| 117 | Y | 95.8 | Very high | 93 | Very high | 121 Ų | 121 | 88.7 Ų | 88.7 | 48% | 0.475 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 142.2 | 178.5 | -71.8 | -80.8 | 0 | 0 | 0 | 111.7 | D179 D180 H182 | Y117-D179 WeakPolarHBondContact CE1-OD1 3.25Å; Y117-D179 PolarHBondContact OH-OD1 3.39Å; Y117-D180 HydrophobicContact CD1-CB 4.1Å; Y117-D180 HydrophobicContact CE1-CB 4.13Å; Y117-H182 HydrophobicContact CD1-CB 3.92Å; Y117-H182 HydrophobicContact CE1-CB 4.19Å; Y117-H182 HydrophobicContact CG-CB 4.41Å |
| 118 | V | 95 | Very high | 93.3 | Very high | 12 Ų | 12 | 85.4 Ų | 85.4 | 7% | 0.073 | 44% | 0.437 | C | S | . | . | trans | -93.7 | 129.4 | 179.6 | -179.5 | 0 | 0 | 0 | 0 | 109.3 | V120 F128 L181 V183 L209 | V118-V120 HydrophobicContact CB-CG1 4.27Å; V118-V120 HydrophobicContact CG1-CG1 3.77Å; V118-V120 PolarHBondContact O-N 3.14Å; V118-F128 HydrophobicContact CG1-CB 3.55Å; V118-F128 HydrophobicContact CG1-CD1 4.13Å; V118-F128 HydrophobicContact CG1-CD2 3.4Å; V118-F128 HydrophobicContact CG1-CE2 4.1Å; V118-F128 HydrophobicContact CG1-CG 3.41Å; V118-F128 VanDerWaalsContact CG1-CG 3.41Å; V118-L181 HydrophobicContact CB-CB 4.38Å; V118-L181 HydrophobicContact CB-CD2 3.98Å; V118-L181 HydrophobicContact CB-CG 4.09Å; V118-L181 HydrophobicContact CG1-CD2 3.97Å; V118-L181 HydrophobicContact CG2-CD2 4.18Å; V118-L181 HydrophobicContact CG2-CG 4.02Å; V118-L181 PolarHBondContact N-O 3.41Å; V118-V183 HydrophobicContact CG2-CG2 4.27Å; V118-L209 HydrophobicContact CB-CD2 4.26Å; V118-L209 HydrophobicContact CG1-CD2 3.96Å; V118-L209 HydrophobicContact CG2-CD2 3.88Å | ||
| 119 | P | 93.5 | Very high | 93.4 | Very high | 33 Ų | 33 | 82.3 Ų | 82.3 | 21% | 0.214 | 41% | 0.414 | C | S | . | . | trans | -76.9 | 60.1 | -177.3 | 33.3 | -36.6 | 0 | 0 | 0 | 112.5 | Q121 E122 Y123 F128 | P119-Q121 PolarHBondContact O-N 3.5Å; P119-E122 PolarHBondContact O-N 3.32Å; P119-Y123 PolarHBondContact O-N 3.36Å; P119-F128 HydrophobicContact CG-CE1 4.4Å; P119-F128 HydrophobicContact CG-CZ 4.08Å | ||
| 120 | V | 91.8 | Very high | 93.4 | Very high | 55 Ų | 55 | 78.6 Ų | 78.6 | 33% | 0.333 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -21.6 | 178.7 | -64.6 | 0 | 0 | 0 | 0 | 113.3 | V118 Y123 P124 F128 L181 | V118-V120 HydrophobicContact CB-CG1 4.27Å; V118-V120 HydrophobicContact CG1-CG1 3.77Å; V118-V120 PolarHBondContact O-N 3.14Å; V120-Y123 CarbonylContact O-C 3.6Å; V120-P124 VanDerWaalsContact O-CA 3.32Å; V120-P124 WeakPolarHBondContact O-CA 3.38Å; V120-F128 HydrophobicContact CG1-CD2 4.29Å; V120-L181 HydrophobicContact CG1-CB 4.31Å; V120-L181 HydrophobicContact CG1-CD2 3.56Å |
| 121 | Q | 90.5 | Very high | 93.4 | Very high | 168 Ų | 168 | 77.6 Ų | 77.6 | 79% | 0.785 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -35 | 178.4 | -61.5 | -177.3 | 17.4 | 0 | 0 | 111.5 | P119 | P119-Q121 PolarHBondContact O-N 3.5Š|
| 122 | E | 92.1 | Very high | 93.3 | Very high | 140 Ų | 140 | 74 Ų | 74 | 65% | 0.654 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -37.9 | 179.2 | -65.2 | 171.6 | -147 | 0 | 0 | 111.7 | P119 | P119-E122 PolarHBondContact O-N 3.32Š|
| 123 | Y | 90.8 | Very high | 93.2 | Very high | 111 Ų | 111 | 74.2 Ų | 74.2 | 44% | 0.435 | 37% | 0.368 | S | S | . | . | trans | -129.9 | 72.7 | -176.8 | -54.7 | -78.6 | 0 | 0 | 0 | 111.7 | P119 V120 E125 F126 F128 P211 | P119-Y123 PolarHBondContact O-N 3.36Å; V120-Y123 CarbonylContact O-C 3.6Å; Y123-E125 VanDerWaalsContact C-N 3.28Å; Y123-E125 PolarHBondContact O-N 3.49Å; Y123-F126 PolarHBondContact O-N 3.43Å; Y123-F128 HydrophobicContact CD2-CZ 4.15Å; Y123-F128 HydrophobicContact CG-CZ 4.41Å; Y123-P211 HydrophobicContact CD1-CG 3.84Å; Y123-P211 HydrophobicContact CD2-CG 3.75Å; Y123-P211 HydrophobicContact CE1-CG 3.81Å; Y123-P211 HydrophobicContact CE2-CG 3.72Å; Y123-P211 HydrophobicContact CG-CG 3.8Å | ||
| 124 | P | 90.1 | Very high | 93.1 | Very high | 108 Ų | 108 | 69.4 Ų | 69.4 | 70% | 0.701 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -26.3 | -174.1 | 26 | -34.9 | 0 | 0 | 0 | 113.8 | V120 | V120-P124 VanDerWaalsContact O-CA 3.32Å; V120-P124 WeakPolarHBondContact O-CA 3.38Å |
| 125 | E | 88.4 | Confident | 92.9 | Very high | 197 Ų | 197 | 66.3 Ų | 66.3 | 92% | 0.921 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -13.7 | -179.9 | -60.1 | -171.7 | 168.5 | 0 | 0 | 113 | Y123 | Y123-E125 VanDerWaalsContact C-N 3.28Å; Y123-E125 PolarHBondContact O-N 3.49Å |
| 126 | F | 90.9 | Very high | 92.7 | Very high | 38 Ų | 38 | 70 Ų | 70 | 17% | 0.167 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -86.4 | 127.1 | -175.7 | -169.9 | -94.5 | 0 | 0 | 0 | 112.1 | Y123 F128 P211 | Y123-F126 PolarHBondContact O-N 3.43Å; F126-F128 HydrophobicContact CB-CE2 4.14Å; F126-F128 HydrophobicContact CB-CZ 4.22Å; F126-F128 AromaticContact CD1-CD1 3.43Å; F126-F128 HydrophobicContact CD1-CD1 3.43Å; F126-F128 VanDerWaalsContact CD1-CD1 3.43Å; F126-F128 AromaticContact CD1-CD2 3.93Å; F126-F128 HydrophobicContact CD1-CD2 3.93Å; F126-F128 AromaticContact CD1-CE1 3.33Å; F126-F128 HydrophobicContact CD1-CE1 3.33Å; F126-F128 AromaticContact CD1-CE2 3.87Å; F126-F128 HydrophobicContact CD1-CE2 3.87Å; F126-F128 AromaticContact CD1-CG 3.73Å; F126-F128 HydrophobicContact CD1-CG 3.73Å; F126-F128 AromaticContact CD1-CZ 3.58Å; F126-F128 HydrophobicContact CD1-CZ 3.58Å; F126-F128 AromaticContact CE1-CD1 3.56Å; F126-F128 HydrophobicContact CE1-CD1 3.56Å; F126-F128 AromaticContact CE1-CE1 3.65Å; F126-F128 HydrophobicContact CE1-CE1 3.65Å; F126-F128 HydrophobicContact CE1-CG 4.17Å; F126-F128 HydrophobicContact CE1-CZ 4.35Å; F126-F128 HydrophobicContact CG-CE1 4.35Å; F126-F128 HydrophobicContact CG-CE2 4.49Å; F126-F128 HydrophobicContact CG-CZ 4.26Å; F126-F128 WeakPolarHBondContact O-CD2 3.31Å; F126-F128 PolarHBondContact O-N 3.07Å; F126-F128 VanDerWaalsContact O-N 3.12Å; F126-P211 HydrophobicContact CD1-CB 4.22Å; F126-P211 HydrophobicContact CD2-CB 3.74Å; F126-P211 HydrophobicContact CE1-CB 4.18Å; F126-P211 HydrophobicContact CE2-CB 3.7Å; F126-P211 HydrophobicContact CG-CB 3.98Å; F126-P211 HydrophobicContact CZ-CB 3.91Å |
| 127 | N | 92.4 | Very high | 92.5 | Very high | 110 Ų | 110 | 70.3 Ų | 70.3 | 59% | 0.588 | 35% | 0.353 | S | S | * | . | trans | -87.1 | 82.3 | -179.6 | -171.9 | -3.1 | 0 | 0 | 0 | 112.4 | V129 G130 R131 | N127-V129 PolarHBondContact OD1-N 3.37Å; N127-G130 PolarHBondContact OD1-N 2.93Å; N127-R131 PolarHBondContact O-N 3.49Å | ||
| 128 | F | 93.6 | Very high | 92.2 | Very high | 3 Ų | 3 | 67.5 Ų | 67.5 | 1% | 0.013 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.7 | -44.9 | 175.6 | -63.5 | -76 | 0 | 0 | 0 | 113 | V118 P119 V120 Y123 F126 G130 R131 I132 L209 | V118-F128 HydrophobicContact CG1-CB 3.55Å; V118-F128 HydrophobicContact CG1-CD1 4.13Å; V118-F128 HydrophobicContact CG1-CD2 3.4Å; V118-F128 HydrophobicContact CG1-CE2 4.1Å; V118-F128 HydrophobicContact CG1-CG 3.41Å; V118-F128 VanDerWaalsContact CG1-CG 3.41Å; P119-F128 HydrophobicContact CG-CE1 4.4Å; P119-F128 HydrophobicContact CG-CZ 4.08Å; V120-F128 HydrophobicContact CG1-CD2 4.29Å; Y123-F128 HydrophobicContact CD2-CZ 4.15Å; Y123-F128 HydrophobicContact CG-CZ 4.41Å; F126-F128 HydrophobicContact CB-CE2 4.14Å; F126-F128 HydrophobicContact CB-CZ 4.22Å; F126-F128 AromaticContact CD1-CD1 3.43Å; F126-F128 HydrophobicContact CD1-CD1 3.43Å; F126-F128 VanDerWaalsContact CD1-CD1 3.43Å; F126-F128 AromaticContact CD1-CD2 3.93Å; F126-F128 HydrophobicContact CD1-CD2 3.93Å; F126-F128 AromaticContact CD1-CE1 3.33Å; F126-F128 HydrophobicContact CD1-CE1 3.33Å; F126-F128 AromaticContact CD1-CE2 3.87Å; F126-F128 HydrophobicContact CD1-CE2 3.87Å; F126-F128 AromaticContact CD1-CG 3.73Å; F126-F128 HydrophobicContact CD1-CG 3.73Å; F126-F128 AromaticContact CD1-CZ 3.58Å; F126-F128 HydrophobicContact CD1-CZ 3.58Å; F126-F128 AromaticContact CE1-CD1 3.56Å; F126-F128 HydrophobicContact CE1-CD1 3.56Å; F126-F128 AromaticContact CE1-CE1 3.65Å; F126-F128 HydrophobicContact CE1-CE1 3.65Å; F126-F128 HydrophobicContact CE1-CG 4.17Å; F126-F128 HydrophobicContact CE1-CZ 4.35Å; F126-F128 HydrophobicContact CG-CE1 4.35Å; F126-F128 HydrophobicContact CG-CE2 4.49Å; F126-F128 HydrophobicContact CG-CZ 4.26Å; F126-F128 WeakPolarHBondContact O-CD2 3.31Å; F126-F128 PolarHBondContact O-N 3.07Å; F126-F128 VanDerWaalsContact O-N 3.12Å; F128-G130 VanDerWaalsContact C-N 3.34Å; F128-G130 PolarHBondContact O-N 3.43Å; F128-R131 PolarHBondContact O-N 2.92Å; F128-R131 VanDerWaalsContact O-N 3.13Å; F128-I132 VanDerWaalsContact O-CG1 3.32Å; F128-I132 WeakPolarHBondContact O-CG1 3.28Å; F128-I132 PolarHBondContact O-N 2.96Å; F128-L209 HydrophobicContact CD1-CD2 4.12Å; F128-L209 WeakPolarHBondContact CE1-O 3.44Å |
| 129 | V | 94.2 | Very high | 92 | Very high | 27 Ų | 27 | 67.3 Ų | 67.3 | 16% | 0.164 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.8 | -44.7 | -177 | 179.8 | 0 | 0 | 0 | 0 | 111 | N127 R131 I132 L133 V153 L181 | N127-V129 PolarHBondContact OD1-N 3.37Å; V129-R131 VanDerWaalsContact C-N 3.32Å; V129-R131 PolarHBondContact O-N 3.44Å; V129-I132 PolarHBondContact O-N 3.14Å; V129-L133 HydrophobicContact CG1-CD1 3.72Å; V129-L133 HydrophobicContact CG1-CG 4.33Å; V129-L133 WeakPolarHBondContact O-CB 3.38Å; V129-L133 WeakPolarHBondContact O-CG 3.44Å; V129-L133 PolarHBondContact O-N 2.95Å; V129-V153 HydrophobicContact CG1-CG1 4.2Å; V129-V153 HydrophobicContact CG2-CG1 4.07Å; V129-L181 HydrophobicContact CG2-CD1 4.11Å; V129-L181 HydrophobicContact CG2-CD2 3.86Å |
| 130 | G | 93.9 | Very high | 92 | Very high | 31 Ų | 31 | 66 Ų | 66 | 32% | 0.32 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.2 | -39.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | N127 F128 G134 | N127-G130 PolarHBondContact OD1-N 2.93Å; F128-G130 VanDerWaalsContact C-N 3.34Å; F128-G130 PolarHBondContact O-N 3.43Å; G130-G134 WeakPolarHBondContact O-CA 3.23Å; G130-G134 PolarHBondContact O-N 3.14Å |
| 131 | R | 92.7 | Very high | 92.1 | Very high | 25 Ų | 25 | 69.4 Ų | 69.4 | 9% | 0.094 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -69 | -41.4 | 178.3 | -167.8 | 176.8 | -167.6 | -155 | 5.7 | 112.7 | N127 F128 V129 L208 V210 D217 L219 Q223 | N127-R131 PolarHBondContact O-N 3.49Å; F128-R131 PolarHBondContact O-N 2.92Å; F128-R131 VanDerWaalsContact O-N 3.13Å; V129-R131 VanDerWaalsContact C-N 3.32Å; V129-R131 PolarHBondContact O-N 3.44Å; R131-L208 PolarHBondContact NH1-O 3.29Å; R131-V210 PolarHBondContact NH1-O 2.9Å; R131-D217 IonicContact CZ-OD1 2.76Å; R131-D217 IonicContact CZ-OD2 3.51Å; R131-D217 VanDerWaalsContact CZ-OD2 3.23Å; R131-D217 IonicContact NE-OD1 3.69Å; R131-D217 IonicContact NE-OD2 2.74Å; R131-D217 PolarHBondContact NE-OD2 3.41Å; R131-D217 VanDerWaalsContact NE-OD2 3.1Å; R131-D217 IonicContact NH2-OD1 2.76Å; R131-D217 PolarHBondContact NH2-OD1 3.47Å; R131-D217 IonicContact NH2-OD2 2.7Å; R131-D217 PolarHBondContact NH2-OD2 3.47Å; R131-L219 HydrophobicContact CG-CD2 4.24Å; R131-Q223 PolarHBondContact O-NE2 3.07Å; R131-Q223 PolarHBondContact O-OE1 2.87Å |
| 132 | I | 93.8 | Very high | 92 | Very high | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -71.2 | -43.4 | -179.8 | -65 | 162.1 | 0 | 0 | 0 | 111.4 | F128 V129 T139 A140 V183 L208 L209 | F128-I132 VanDerWaalsContact O-CG1 3.32Å; F128-I132 WeakPolarHBondContact O-CG1 3.28Å; F128-I132 PolarHBondContact O-N 2.96Å; V129-I132 PolarHBondContact O-N 3.14Å; I132-T139 WeakPolarHBondContact O-CB 3.33Å; I132-T139 VanDerWaalsContact O-CG2 3.29Å; I132-T139 WeakPolarHBondContact O-CG2 3.3Å; I132-A140 PolarHBondContact O-N 3.33Å; I132-V183 HydrophobicContact CD1-CG2 3.92Å; I132-L208 HydrophobicContact CG1-CB 4.13Å; I132-L208 HydrophobicContact CG1-CD1 4.22Å; I132-L209 HydrophobicContact CD1-CD2 3.99Å |
| 133 | L | 93.8 | Very high | 92 | Very high | 69 Ų | 69 | 58.1 Ų | 58.1 | 36% | 0.361 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -75.6 | -42.5 | 179.5 | -66.5 | 176.7 | 0 | 0 | 0 | 111.9 | V129 G137 M138 T139 A140 V153 | V129-L133 HydrophobicContact CG1-CD1 3.72Å; V129-L133 HydrophobicContact CG1-CG 4.33Å; V129-L133 WeakPolarHBondContact O-CB 3.38Å; V129-L133 WeakPolarHBondContact O-CG 3.44Å; V129-L133 PolarHBondContact O-N 2.95Å; L133-G137 CarbonylContact O-C 3.51Å; L133-G137 WeakPolarHBondContact O-CA 3.48Å; L133-M138 PolarHBondContact O-N 2.94Å; L133-T139 WeakPolarHBondContact O-CB 3.16Å; L133-T139 PolarHBondContact O-N 2.92Å; L133-A140 HydrophobicContact CD2-CB 4.04Å; L133-A140 PolarHBondContact O-N 3.46Å; L133-V153 HydrophobicContact CD2-CG2 4.24Å; L133-V153 HydrophobicContact CG-CG2 4.45Å |
| 134 | G | 92.8 | Very high | 92.2 | Very high | 17 Ų | 17 | 55.5 Ų | 55.5 | 18% | 0.175 | 29% | 0.286 | C | S | . | . | trans | 61.8 | -169.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | G130 R136 G137 T139 | G130-G134 WeakPolarHBondContact O-CA 3.23Å; G130-G134 PolarHBondContact O-N 3.14Å; G134-R136 PolarHBondContact O-N 2.87Å; G134-G137 PolarHBondContact O-N 3.26Å; G134-T139 WeakPolarHBondContact CA-OG1 3.42Å | ||
| 135 | P | 92.7 | Very high | 92.2 | Very high | 7 Ų | 7 | 57.8 Ų | 57.8 | 5% | 0.045 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -64.4 | 122.1 | -176.1 | 25.8 | -33.2 | 0 | 0 | 0 | 111 | G137 M138 E226 L227 I230 | P135-G137 PolarHBondContact O-N 2.86Å; P135-G137 VanDerWaalsContact O-N 3.15Å; P135-M138 VanDerWaalsContact O-CB 3.3Å; P135-M138 WeakPolarHBondContact O-CB 3.38Å; P135-M138 WeakPolarHBondContact O-CG 3.27Å; P135-M138 PolarHBondContact O-N 3.4Å; P135-M138 VanDerWaalsContact O-N 3.11Å; P135-E226 HydrophobicContact CB-CG 4.47Å; P135-E226 HydrophobicContact CG-CB 4.09Å; P135-E226 HydrophobicContact CG-CG 3.99Å; P135-E226 WeakPolarHBondContact CG-OE2 3.3Å; P135-L227 HydrophobicContact CB-CB 4.26Å; P135-L227 HydrophobicContact CB-CD1 4.26Å; P135-I230 HydrophobicContact CB-CD1 4.31Å |
| 136 | R | 90.9 | Very high | 92.2 | Very high | 184 Ų | 184 | 51.2 Ų | 51.2 | 69% | 0.694 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | 56.6 | 23.6 | -178.2 | -58.8 | -66.7 | -174.9 | 124.3 | -3.5 | 114.2 | G134 M138 | G134-R136 PolarHBondContact O-N 2.87Å; R136-M138 VanDerWaalsContact C-N 3.26Å; R136-M138 HydrophobicContact CB-CG 4.24Å; R136-M138 PolarHBondContact O-N 2.99Å |
| 137 | G | 92.3 | Very high | 92.2 | Very high | 19 Ų | 19 | 49.7 Ų | 49.7 | 20% | 0.196 | 25% | 0.25 | C | C | . | . | G | 310 helix | trans | 74 | 15.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | L133 G134 P135 K141 | L133-G137 CarbonylContact O-C 3.51Å; L133-G137 WeakPolarHBondContact O-CA 3.48Å; G134-G137 PolarHBondContact O-N 3.26Å; P135-G137 PolarHBondContact O-N 2.86Å; P135-G137 VanDerWaalsContact O-N 3.15Å; G137-K141 WeakPolarHBondContact O-CG 3.38Å; G137-K141 PolarHBondContact O-N 3.46Å; G137-K141 VanDerWaalsContact O-N 3.08Å |
| 138 | M | 89.8 | Confident | 92.1 | Very high | 62 Ų | 62 | 46.2 Ų | 46.2 | 31% | 0.305 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -74.1 | -31.9 | -172.3 | -67.5 | -78.2 | -49.9 | 0 | 0 | 112.8 | L133 P135 R136 K141 Q142 | L133-M138 PolarHBondContact O-N 2.94Å; P135-M138 VanDerWaalsContact O-CB 3.3Å; P135-M138 WeakPolarHBondContact O-CB 3.38Å; P135-M138 WeakPolarHBondContact O-CG 3.27Å; P135-M138 PolarHBondContact O-N 3.4Å; P135-M138 VanDerWaalsContact O-N 3.11Å; R136-M138 VanDerWaalsContact C-N 3.26Å; R136-M138 HydrophobicContact CB-CG 4.24Å; R136-M138 PolarHBondContact O-N 2.99Å; M138-K141 PolarHBondContact O-N 3.32Å; M138-Q142 WeakPolarHBondContact O-CB 3.14Å; M138-Q142 PolarHBondContact O-N 3.21Å |
| 139 | T | 91.7 | Very high | 92.2 | Very high | 8 Ų | 8 | 46.3 Ų | 46.3 | 5% | 0.049 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.8 | -49.9 | 174 | -57.4 | 0 | 0 | 0 | 0 | 110.1 | I93 I132 L133 G134 K141 Q142 L143 Q223 | I93-T139 HydrophobicContact CD1-CG2 3.16Å; I132-T139 WeakPolarHBondContact O-CB 3.33Å; I132-T139 VanDerWaalsContact O-CG2 3.29Å; I132-T139 WeakPolarHBondContact O-CG2 3.3Å; L133-T139 WeakPolarHBondContact O-CB 3.16Å; L133-T139 PolarHBondContact O-N 2.92Å; G134-T139 WeakPolarHBondContact CA-OG1 3.42Å; T139-K141 PolarHBondContact O-N 2.67Å; T139-Q142 PolarHBondContact O-N 3.23Å; T139-L143 PolarHBondContact O-N 3.44Å; T139-Q223 PolarHBondContact OG1-NE2 3.43Å |
| 140 | A | 93.4 | Very high | 92.3 | Very high | 7 Ų | 7 | 50.2 Ų | 50.2 | 6% | 0.058 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.7 | -44.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | I132 L133 Q142 L143 E144 | I132-A140 PolarHBondContact O-N 3.33Å; L133-A140 HydrophobicContact CD2-CB 4.04Å; L133-A140 PolarHBondContact O-N 3.46Å; A140-Q142 VanDerWaalsContact C-N 3.31Å; A140-Q142 PolarHBondContact O-N 3.47Å; A140-L143 WeakPolarHBondContact O-CB 3.09Å; A140-L143 PolarHBondContact O-N 2.65Å; A140-E144 VanDerWaalsContact O-CG 3.31Å; A140-E144 WeakPolarHBondContact O-CG 3.16Å; A140-E144 PolarHBondContact O-N 3.27Å |
| 141 | K | 92.3 | Very high | 92.3 | Very high | 125 Ų | 125 | 49.3 Ų | 49.3 | 54% | 0.543 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.3 | -37.5 | 177 | -76.2 | 179.3 | 177.1 | -173.9 | 0 | 113.7 | G137 M138 T139 E144 H145 | G137-K141 WeakPolarHBondContact O-CG 3.38Å; G137-K141 PolarHBondContact O-N 3.46Å; G137-K141 VanDerWaalsContact O-N 3.08Å; M138-K141 PolarHBondContact O-N 3.32Å; T139-K141 PolarHBondContact O-N 2.67Å; K141-E144 PolarHBondContact O-N 2.95Å; K141-H145 WeakPolarHBondContact O-CB 3.41Å; K141-H145 PolarHBondContact O-N 2.94Å |
| 142 | Q | 90 | Very high | 92.5 | Very high | 61 Ų | 61 | 50 Ų | 50 | 29% | 0.285 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.5 | -46.8 | 176.3 | -174.8 | 64 | 21.5 | 0 | 0 | 110.1 | M138 T139 A140 E144 H145 E146 | M138-Q142 WeakPolarHBondContact O-CB 3.14Å; M138-Q142 PolarHBondContact O-N 3.21Å; T139-Q142 PolarHBondContact O-N 3.23Å; A140-Q142 VanDerWaalsContact C-N 3.31Å; A140-Q142 PolarHBondContact O-N 3.47Å; Q142-E144 VanDerWaalsContact C-N 3.29Å; Q142-E144 PolarHBondContact O-N 3.43Å; Q142-H145 PolarHBondContact O-N 2.9Å; Q142-H145 VanDerWaalsContact O-N 3.12Å; Q142-E146 WeakPolarHBondContact CG-OE1 3.28Å; Q142-E146 PolarHBondContact NE2-OE1 3.06Å; Q142-E146 WeakPolarHBondContact O-CG 3.07Å; Q142-E146 PolarHBondContact O-N 2.85Å |
| 143 | L | 91.6 | Very high | 92.6 | Very high | 10 Ų | 10 | 51.4 Ų | 51.4 | 5% | 0.052 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.6 | -40.5 | 176.5 | -177.8 | 62.1 | 0 | 0 | 0 | 111.9 | T139 A140 T147 I151 E204 V205 L208 | T139-L143 PolarHBondContact O-N 3.44Å; A140-L143 WeakPolarHBondContact O-CB 3.09Å; A140-L143 PolarHBondContact O-N 2.65Å; L143-T147 HydrophobicContact CD1-CG2 3.86Å; L143-T147 WeakPolarHBondContact O-CB 3.49Å; L143-T147 WeakPolarHBondContact O-CG2 3.32Å; L143-T147 PolarHBondContact O-N 2.96Å; L143-T147 VanDerWaalsContact O-N 3.1Å; L143-T147 PolarHBondContact O-OG1 3.46Å; L143-I151 HydrophobicContact CD2-CD1 4.35Å; L143-I151 HydrophobicContact CD2-CG1 4.15Å; L143-I151 HydrophobicContact CG-CG1 4.22Å; L143-E204 HydrophobicContact CD1-CB 3.52Å; L143-E204 HydrophobicContact CD1-CG 4.1Å; L143-V205 HydrophobicContact CD2-CG2 3.85Å; L143-L208 HydrophobicContact CD2-CD1 4.31Å |
| 144 | E | 94 | Very high | 92.7 | Very high | 57 Ų | 57 | 51.8 Ų | 51.8 | 27% | 0.266 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 174.2 | -72 | -178.9 | 150.6 | 0 | 0 | 112.1 | A140 K141 Q142 G148 C149 I151 | A140-E144 VanDerWaalsContact O-CG 3.31Å; A140-E144 WeakPolarHBondContact O-CG 3.16Å; A140-E144 PolarHBondContact O-N 3.27Å; K141-E144 PolarHBondContact O-N 2.95Å; Q142-E144 VanDerWaalsContact C-N 3.29Å; Q142-E144 PolarHBondContact O-N 3.43Å; E144-G148 VanDerWaalsContact O-CA 3.3Å; E144-G148 WeakPolarHBondContact O-CA 3.45Å; E144-G148 PolarHBondContact O-N 3.38Å; E144-C149 WeakPolarHBondContact CA-O 3.39Å; E144-C149 VanDerWaalsContact CB-O 3.26Å; E144-C149 WeakPolarHBondContact CB-O 3.45Å; E144-C149 VanDerWaalsContact CG-O 3.32Å; E144-C149 WeakPolarHBondContact CG-O 3.38Å; E144-I151 HydrophobicContact CG-CB 3.89Å; E144-I151 HydrophobicContact CG-CG1 3.7Å; E144-I151 PolarHBondContact OE1-N 2.68Å |
| 145 | H | 90.4 | Very high | 92.8 | Very high | 155 Ų | 155 | 51 Ų | 51 | 72% | 0.718 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -67.1 | -40.2 | -179.3 | -175.5 | 57.7 | 0 | 0 | 0 | 112.9 | K141 Q142 | K141-H145 WeakPolarHBondContact O-CB 3.41Å; K141-H145 PolarHBondContact O-N 2.94Å; Q142-H145 PolarHBondContact O-N 2.9Å; Q142-H145 VanDerWaalsContact O-N 3.12Å |
| 146 | E | 88.3 | Confident | 92.8 | Very high | 60 Ų | 60 | 56.3 Ų | 56.3 | 28% | 0.28 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -75.4 | -38.1 | -176.7 | -70.4 | 168.1 | 164.6 | 0 | 0 | 112.7 | C95 Q142 | C95-E146 VanDerWaalsContact CB-OE2 3.26Å; C95-E146 WeakPolarHBondContact CB-OE2 3.42Å; C95-E146 PolarHBondContact SG-OE1 3.31Å; C95-E146 PolarHBondContact SG-OE2 3.5Å; Q142-E146 WeakPolarHBondContact CG-OE1 3.28Å; Q142-E146 PolarHBondContact NE2-OE1 3.06Å; Q142-E146 WeakPolarHBondContact O-CG 3.07Å; Q142-E146 PolarHBondContact O-N 2.85Å |
| 147 | T | 90.5 | Very high | 92.8 | Very high | 5 Ų | 5 | 49.6 Ų | 49.6 | 3% | 0.031 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -86.4 | -24.2 | -179.6 | 60.8 | 0 | 0 | 0 | 0 | 112.5 | L143 C149 R200 A201 | L143-T147 HydrophobicContact CD1-CG2 3.86Å; L143-T147 WeakPolarHBondContact O-CB 3.49Å; L143-T147 WeakPolarHBondContact O-CG2 3.32Å; L143-T147 PolarHBondContact O-N 2.96Å; L143-T147 VanDerWaalsContact O-N 3.1Å; L143-T147 PolarHBondContact O-OG1 3.46Å; T147-C149 PolarHBondContact O-N 3.16Å; T147-C149 WeakPolarHBondContact OG1-CB 3.31Å; T147-C149 PolarHBondContact OG1-N 2.87Å; T147-R200 HydrophobicContact CG2-CG 4.46Å; T147-A201 HydrophobicContact CG2-CB 3.85Å |
| 148 | G | 91.4 | Very high | 92.8 | Very high | 38 Ų | 38 | 49.9 Ų | 49.9 | 39% | 0.392 | 26% | 0.255 | S | S | . | . | S | Bend | trans | 69.8 | 16 | -168.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | E144 | E144-G148 VanDerWaalsContact O-CA 3.3Å; E144-G148 WeakPolarHBondContact O-CA 3.45Å; E144-G148 PolarHBondContact O-N 3.38Å |
| 149 | C | 94.8 | Very high | 92.9 | Very high | 5 Ų | 5 | 49.3 Ų | 49.3 | 3% | 0.034 | 25% | 0.252 | C | S | . | . | trans | -103 | 155.6 | 175 | -63.1 | 0 | 0 | 0 | 0 | 110 | E144 T147 I151 I185 Q186 A201 | E144-C149 WeakPolarHBondContact CA-O 3.39Å; E144-C149 VanDerWaalsContact CB-O 3.26Å; E144-C149 WeakPolarHBondContact CB-O 3.45Å; E144-C149 VanDerWaalsContact CG-O 3.32Å; E144-C149 WeakPolarHBondContact CG-O 3.38Å; T147-C149 PolarHBondContact O-N 3.16Å; T147-C149 WeakPolarHBondContact OG1-CB 3.31Å; T147-C149 PolarHBondContact OG1-N 2.87Å; C149-I151 HydrophobicContact CB-CD1 4.4Å; C149-I185 HydrophobicContact CB-CG2 3.77Å; C149-Q186 CarbonylContact C-O 3.09Å; C149-A201 HydrophobicContact CB-CB 4.02Å | ||
| 150 | K | 96.1 | Very high | 92.9 | Very high | 108 Ų | 108 | 60.5 Ų | 60.5 | 47% | 0.47 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 129.8 | 169.7 | -172.3 | 177.5 | -175.4 | 178.8 | 0 | 109.3 | M152 I185 Q186 | K150-M152 HydrophobicContact CD-CG 4.49Å; K150-M152 HydrophobicContact CD-SD 3.92Å; K150-M152 HydrophobicContact CG-CG 4.09Å; K150-M152 HydrophobicContact CG-SD 4.14Å; K150-I185 WeakPolarHBondContact O-CA 3.3Å; K150-Q186 HydrophobicContact CB-CB 4.34Å; K150-Q186 PolarHBondContact N-O 3.24Å; K150-Q186 PolarHBondContact O-N 3.12Å |
| 151 | I | 96 | Very high | 92.9 | Very high | 13 Ų | 13 | 63.4 Ų | 63.4 | 7% | 0.067 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 118.5 | -173.3 | -55.3 | -63.5 | 0 | 0 | 0 | 109.1 | L143 E144 C149 V183 I185 A201 V205 | L143-I151 HydrophobicContact CD2-CD1 4.35Å; L143-I151 HydrophobicContact CD2-CG1 4.15Å; L143-I151 HydrophobicContact CG-CG1 4.22Å; E144-I151 HydrophobicContact CG-CB 3.89Å; E144-I151 HydrophobicContact CG-CG1 3.7Å; E144-I151 PolarHBondContact OE1-N 2.68Å; C149-I151 HydrophobicContact CB-CD1 4.4Å; I151-V183 HydrophobicContact CG2-CG1 3.65Å; I151-I185 HydrophobicContact CD1-CB 4.35Å; I151-I185 HydrophobicContact CD1-CD1 4.45Å; I151-I185 HydrophobicContact CD1-CG1 3.86Å; I151-I185 HydrophobicContact CD1-CG2 4.01Å; I151-A201 HydrophobicContact CD1-CB 4.44Å; I151-V205 HydrophobicContact CD1-CG2 4.44Å |
| 152 | M | 95.3 | Very high | 92.8 | Very high | 39 Ų | 39 | 64.3 Ų | 64.3 | 19% | 0.192 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 119 | -172.8 | -57.8 | 175.3 | 65.8 | 0 | 0 | 110.8 | K150 L184 | K150-M152 HydrophobicContact CD-CG 4.49Å; K150-M152 HydrophobicContact CD-SD 3.92Å; K150-M152 HydrophobicContact CG-CG 4.09Å; K150-M152 HydrophobicContact CG-SD 4.14Å; M152-L184 HydrophobicContact CB-CB 4.31Å; M152-L184 PolarHBondContact N-O 3.15Å; M152-L184 PolarHBondContact O-N 3.35Å |
| 153 | V | 96.4 | Very high | 92.9 | Very high | 30 Ų | 30 | 67.6 Ų | 67.6 | 18% | 0.182 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 126 | 173.3 | -176.2 | 0 | 0 | 0 | 0 | 109.3 | V129 L133 L181 | V129-V153 HydrophobicContact CG1-CG1 4.2Å; V129-V153 HydrophobicContact CG2-CG1 4.07Å; L133-V153 HydrophobicContact CD2-CG2 4.24Å; L133-V153 HydrophobicContact CG-CG2 4.45Å; V153-L181 HydrophobicContact CG1-CD1 4.04Å |
| 154 | R | 95.1 | Very high | 92.9 | Very high | 78 Ų | 78 | 72.2 Ų | 72.2 | 29% | 0.294 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 175.2 | -176.4 | -65 | -62.8 | -177.3 | 85.2 | -15.6 | 109.6 | H176 H182 L184 | R154-H176 HydrophobicContact CB-CB 4.29Å; R154-H182 CarbonylContact C-O 3.55Å; R154-H182 WeakPolarHBondContact CB-NE2 3.26Å; R154-H182 PolarHBondContact N-O 3.22Å; R154-H182 PolarHBondContact O-N 3.45Å; R154-L184 HydrophobicContact CG-CB 4.37Å |
| 155 | G | 95.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 34% | 0.339 | C | S | . | . | S | Bend | trans | 95.2 | 177.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | S158 H176 D179 D180 | G155-S158 WeakPolarHBondContact O-CB 3.41Å; G155-S158 PolarHBondContact O-N 3.11Å; G155-S158 PolarHBondContact O-OG 3.21Å; G155-H176 CarbonylContact C-O 3.57Å; G155-H176 WeakPolarHBondContact CA-O 3.4Å; G155-H176 PolarHBondContact N-ND1 3.23Å; G155-H176 PolarHBondContact N-O 3.01Å; G155-D179 CarbonylContact C-O 3.53Å; G155-D179 VanDerWaalsContact CA-O 3.31Å; G155-D179 WeakPolarHBondContact CA-O 3.13Å; G155-D180 VanDerWaalsContact CA-O 3.3Å; G155-D180 WeakPolarHBondContact CA-O 3.3Å |
| 156 | K | 92.8 | Very high | 92.8 | Very high | 119 Ų | 119 | 66.3 Ų | 66.3 | 52% | 0.517 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | 131.5 | 172.6 | -177.7 | -178.7 | 176.6 | -174.8 | 0 | 111.2 | S158 E165 D179 L181 | K156-S158 VanDerWaalsContact C-N 3.29Å; K156-E165 VanDerWaalsContact CA-OE1 3.3Å; K156-E165 WeakPolarHBondContact CA-OE1 3.36Å; K156-D179 WeakPolarHBondContact CB-O 3.28Å; K156-D179 PolarHBondContact N-O 2.99Å; K156-L181 WeakPolarHBondContact O-CB 3.47Å |
| 157 | G | 91.7 | Very high | 92.9 | Very high | 43 Ų | 43 | 70 Ų | 70 | 44% | 0.443 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.3 | 9.2 | -176 | 0 | 0 | 0 | 0 | 0 | 114.4 | M159 E165 | G157-M159 VanDerWaalsContact C-N 3.25Å; G157-M159 PolarHBondContact O-N 2.91Å; G157-E165 VanDerWaalsContact CA-OE2 3.23Å; G157-E165 WeakPolarHBondContact CA-OE2 3.36Å; G157-E165 VanDerWaalsContact N-CD 3.28Å; G157-E165 PolarHBondContact N-OE1 3.41Å; G157-E165 PolarHBondContact N-OE2 3.37Å |
| 158 | S | 92.1 | Very high | 92.8 | Very high | 24 Ų | 24 | 71.2 Ų | 71.2 | 17% | 0.168 | 35% | 0.35 | C | S | . | . | trans | -70.5 | -23.6 | 174 | 59.3 | 0 | 0 | 0 | 0 | 112.5 | G155 K156 | G155-S158 WeakPolarHBondContact O-CB 3.41Å; G155-S158 PolarHBondContact O-N 3.11Å; G155-S158 PolarHBondContact O-OG 3.21Å; K156-S158 VanDerWaalsContact C-N 3.29Å | ||
| 159 | M | 92.5 | Very high | 92.7 | Very high | 50 Ų | 50 | 73.1 Ų | 73.1 | 25% | 0.246 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -88.1 | 144 | 176.8 | -65 | -173.2 | 68.4 | 0 | 0 | 111.3 | G157 D161 K164 E165 W174 | G157-M159 VanDerWaalsContact C-N 3.25Å; G157-M159 PolarHBondContact O-N 2.91Å; M159-D161 VanDerWaalsContact C-N 3.31Å; M159-D161 PolarHBondContact O-N 3.4Å; M159-K164 HydrophobicContact CE-CB 3.83Å; M159-E165 HydrophobicContact CB-CB 4.14Å; M159-E165 HydrophobicContact CB-CG 4.38Å; M159-E165 HydrophobicContact CG-CB 4.34Å; M159-E165 HydrophobicContact CG-CG 4.28Å; M159-E165 PolarHBondContact N-OE2 2.93Å; M159-E165 VanDerWaalsContact SD-CA 3.54Å; M159-E165 HydrophobicContact SD-CB 3.87Å; M159-E165 HydrophobicContact SD-CG 4.07Å; M159-W174 HydrophobicContact CE-CH2 4.18Å; M159-W174 HydrophobicContact CE-CZ3 4.18Å; M159-W174 HydrophobicContact CG-CZ3 4.37Å; M159-W174 HydrophobicContact SD-CE3 4.32Å; M159-W174 HydrophobicContact SD-CH2 4.05Å; M159-W174 HydrophobicContact SD-CZ3 3.45Å; M159-W174 WeakPolarHBondContact SD-CZ3 3.32Å |
| 160 | R | 90.8 | Very high | 92.3 | Very high | 243 Ų | 243 | 75.9 Ų | 75.9 | 92% | 0.917 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -62.5 | -39 | 173.7 | -177.9 | 178 | 179.6 | -179.7 | -0.4 | 112.5 | ||
| 161 | D | 92.8 | Very high | 92.1 | Very high | 69 Ų | 69 | 75.3 Ų | 75.3 | 37% | 0.369 | 37% | 0.372 | S | S | . | . | trans | -103.4 | 102.1 | -175.1 | -59 | -31.5 | 0 | 0 | 0 | 109.6 | M159 N163 K164 E165 | M159-D161 VanDerWaalsContact C-N 3.31Å; M159-D161 PolarHBondContact O-N 3.4Å; D161-N163 VanDerWaalsContact C-N 3.28Å; D161-N163 PolarHBondContact O-N 3.3Å; D161-K164 HydrophobicContact CB-CB 4.16Å; D161-K164 HydrophobicContact CB-CD 3.96Å; D161-K164 HydrophobicContact CB-CG 4.03Å; D161-K164 PolarHBondContact O-N 3.47Å; D161-K164 VanDerWaalsContact O-N 3.1Å; D161-K164 WeakPolarHBondContact OD2-CE 3.39Å; D161-K164 IonicContact OD2-NZ 2.59Å; D161-K164 PolarHBondContact OD2-NZ 3.42Å; D161-E165 PolarHBondContact O-N 2.7Å; D161-E165 VanDerWaalsContact O-N 3.16Å | ||
| 162 | K | 90.8 | Very high | 91.7 | Very high | 144 Ų | 144 | 79.6 Ų | 79.6 | 63% | 0.626 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -57.1 | -39.4 | -178.5 | -169.3 | 175.7 | 178.5 | -174.9 | 0 | 113 | K164 E165 D166 | K162-K164 VanDerWaalsContact C-N 3.28Å; K162-K164 PolarHBondContact O-N 2.93Å; K162-E165 VanDerWaalsContact O-CB 3.24Å; K162-E165 WeakPolarHBondContact O-CB 3.29Å; K162-E165 PolarHBondContact O-N 3.06Å; K162-E165 VanDerWaalsContact O-N 3.07Å; K162-D166 PolarHBondContact O-N 2.94Å |
| 163 | N | 92.3 | Very high | 91.5 | Very high | 129 Ų | 129 | 84.9 Ų | 84.9 | 69% | 0.69 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -61.3 | -35.4 | 178.8 | -61.2 | 43 | 0 | 0 | 0 | 112.8 | D161 Q167 | D161-N163 VanDerWaalsContact C-N 3.28Å; D161-N163 PolarHBondContact O-N 3.3Å; N163-Q167 VanDerWaalsContact O-CG 3.3Å; N163-Q167 WeakPolarHBondContact O-CG 3.26Å; N163-Q167 PolarHBondContact O-N 3.25Å |
| 164 | K | 91.1 | Very high | 91.2 | Very high | 107 Ų | 107 | 87.5 Ų | 87.5 | 47% | 0.465 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -76.5 | -31.2 | 176.8 | -67.5 | -178.4 | -174.9 | 154.8 | 0 | 111.5 | M159 D161 K162 N168 | M159-K164 HydrophobicContact CE-CB 3.83Å; D161-K164 HydrophobicContact CB-CB 4.16Å; D161-K164 HydrophobicContact CB-CD 3.96Å; D161-K164 HydrophobicContact CB-CG 4.03Å; D161-K164 PolarHBondContact O-N 3.47Å; D161-K164 VanDerWaalsContact O-N 3.1Å; D161-K164 WeakPolarHBondContact OD2-CE 3.39Å; D161-K164 IonicContact OD2-NZ 2.59Å; D161-K164 PolarHBondContact OD2-NZ 3.42Å; K162-K164 VanDerWaalsContact C-N 3.28Å; K162-K164 PolarHBondContact O-N 2.93Å; K164-N168 PolarHBondContact O-N 2.59Å; K164-N168 PolarHBondContact O-ND2 3.08Å |
| 165 | E | 91.5 | Very high | 91.1 | Very high | 4 Ų | 4 | 90.5 Ų | 90.5 | 2% | 0.019 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -59.5 | -53.9 | 174 | -164.8 | 178.1 | 127.3 | 0 | 0 | 110.2 | K156 G157 M159 D161 K162 Q167 N168 R169 L177 | K156-E165 VanDerWaalsContact CA-OE1 3.3Å; K156-E165 WeakPolarHBondContact CA-OE1 3.36Å; G157-E165 VanDerWaalsContact CA-OE2 3.23Å; G157-E165 WeakPolarHBondContact CA-OE2 3.36Å; G157-E165 VanDerWaalsContact N-CD 3.28Å; G157-E165 PolarHBondContact N-OE1 3.41Å; G157-E165 PolarHBondContact N-OE2 3.37Å; M159-E165 HydrophobicContact CB-CB 4.14Å; M159-E165 HydrophobicContact CB-CG 4.38Å; M159-E165 HydrophobicContact CG-CB 4.34Å; M159-E165 HydrophobicContact CG-CG 4.28Å; M159-E165 PolarHBondContact N-OE2 2.93Å; M159-E165 VanDerWaalsContact SD-CA 3.54Å; M159-E165 HydrophobicContact SD-CB 3.87Å; M159-E165 HydrophobicContact SD-CG 4.07Å; D161-E165 PolarHBondContact O-N 2.7Å; D161-E165 VanDerWaalsContact O-N 3.16Å; K162-E165 VanDerWaalsContact O-CB 3.24Å; K162-E165 WeakPolarHBondContact O-CB 3.29Å; K162-E165 PolarHBondContact O-N 3.06Å; K162-E165 VanDerWaalsContact O-N 3.07Å; E165-Q167 VanDerWaalsContact C-N 3.29Å; E165-Q167 PolarHBondContact O-N 3.09Å; E165-N168 PolarHBondContact O-N 2.76Å; E165-R169 WeakPolarHBondContact O-CG 3.4Å; E165-R169 PolarHBondContact O-N 2.94Å; E165-R169 IonicContact OE1-NH1 3.1Å; E165-L177 HydrophobicContact CG-CD1 3.74Å; E165-L177 HydrophobicContact CG-CD2 3.62Å; E165-L177 HydrophobicContact CG-CG 4.18Å; E165-L177 WeakPolarHBondContact O-CD1 3.23Å |
| 166 | D | 90.6 | Very high | 91 | Very high | 84 Ų | 84 | 92.1 Ų | 92.1 | 45% | 0.449 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60.5 | -37.2 | -177.2 | -67.5 | -33.5 | 0 | 0 | 0 | 112.7 | K162 N168 R169 | K162-D166 PolarHBondContact O-N 2.94Å; D166-N168 VanDerWaalsContact C-N 3.25Å; D166-N168 PolarHBondContact O-N 2.76Å; D166-R169 PolarHBondContact O-N 3.12Å |
| 167 | Q | 91.2 | Very high | 91 | Very high | 139 Ų | 139 | 86.5 Ų | 86.5 | 65% | 0.65 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -67.9 | -20.4 | 175.6 | -71.5 | 174.3 | 8 | 0 | 0 | 114.4 | N163 E165 K171 | N163-Q167 VanDerWaalsContact O-CG 3.3Å; N163-Q167 WeakPolarHBondContact O-CG 3.26Å; N163-Q167 PolarHBondContact O-N 3.25Å; E165-Q167 VanDerWaalsContact C-N 3.29Å; E165-Q167 PolarHBondContact O-N 3.09Å; Q167-K171 VanDerWaalsContact O-CE 3.25Å; Q167-K171 WeakPolarHBondContact O-CE 3.26Å; Q167-K171 PolarHBondContact O-NZ 3.48Å |
| 168 | N | 89.3 | Confident | 91 | Very high | 29 Ų | 29 | 89.1 Ų | 89.1 | 16% | 0.155 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -101.4 | -8.1 | -179.4 | -71 | -39.1 | 0 | 0 | 0 | 113.2 | K164 E165 D166 G170 K171 W174 L177 | K164-N168 PolarHBondContact O-N 2.59Å; K164-N168 PolarHBondContact O-ND2 3.08Å; E165-N168 PolarHBondContact O-N 2.76Å; D166-N168 VanDerWaalsContact C-N 3.25Å; D166-N168 PolarHBondContact O-N 2.76Å; N168-G170 PolarHBondContact O-N 3.04Å; N168-K171 WeakPolarHBondContact O-CB 3.34Å; N168-K171 PolarHBondContact O-N 2.91Å; N168-K171 PolarHBondContact OD1-NZ 2.87Å; N168-W174 HydrophobicContact CB-CB 4.46Å; N168-W174 HydrophobicContact CB-CD2 3.75Å; N168-W174 HydrophobicContact CB-CE3 3.98Å; N168-W174 HydrophobicContact CB-CG 4.01Å; N168-W174 HydrophobicContact CB-CZ3 4.45Å; N168-W174 WeakPolarHBondContact O-CB 3.38Å; N168-L177 HydrophobicContact CB-CD1 4.18Å |
| 169 | R | 88.3 | Confident | 91.1 | Very high | 78 Ų | 78 | 90 Ų | 90 | 29% | 0.294 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | 133 | 174.7 | -61.5 | 179.7 | 76.5 | 94.4 | 7.2 | 110 | E165 D166 L177 N178 | E165-R169 WeakPolarHBondContact O-CG 3.4Å; E165-R169 PolarHBondContact O-N 2.94Å; E165-R169 IonicContact OE1-NH1 3.1Å; D166-R169 PolarHBondContact O-N 3.12Å; R169-L177 HydrophobicContact CG-CB 4.13Å; R169-L177 HydrophobicContact CG-CD1 4.14Å; R169-L177 PolarHBondContact NH1-O 3.2Å; R169-L177 PolarHBondContact NH2-O 3.49Å; R169-N178 PolarHBondContact NH2-OD1 2.99Å |
| 170 | G | 86.6 | Confident | 91.2 | Very high | 63 Ų | 63 | 91.7 Ų | 91.7 | 65% | 0.649 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.3 | -4.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | N168 | N168-G170 PolarHBondContact O-N 3.04Š|
| 171 | K | 91.1 | Very high | 91.5 | Very high | 97 Ų | 97 | 80.8 Ų | 80.8 | 42% | 0.422 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -78.3 | 150.2 | 171.2 | -65.6 | -179.7 | -170.9 | 166.2 | 0 | 110.9 | Q167 N168 W174 | Q167-K171 VanDerWaalsContact O-CE 3.25Å; Q167-K171 WeakPolarHBondContact O-CE 3.26Å; Q167-K171 PolarHBondContact O-NZ 3.48Å; N168-K171 WeakPolarHBondContact O-CB 3.34Å; N168-K171 PolarHBondContact O-N 2.91Å; N168-K171 PolarHBondContact OD1-NZ 2.87Å; K171-W174 HydrophobicContact CB-CB 4.37Å; K171-W174 HydrophobicContact CB-CG 4.41Å; K171-W174 PolarHBondContact O-N 3.24Å |
| 172 | P | 89.2 | Confident | 91.6 | Very high | 102 Ų | 102 | 77.7 Ų | 77.7 | 66% | 0.662 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 143.7 | 171.3 | 25.6 | -34.3 | 0 | 0 | 0 | 110 | W174 | P172-W174 PolarHBondContact O-N 3.38Š|
| 173 | N | 89.4 | Confident | 91.9 | Very high | 150 Ų | 150 | 70.8 Ų | 70.8 | 80% | 0.802 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.8 | -6.1 | -170.9 | -56.6 | -27.3 | 0 | 0 | 0 | 116.7 | H176 | N173-H176 PolarHBondContact O-CD2 3.37Š|
| 174 | W | 91.6 | Very high | 92.1 | Very high | 85 Ų | 85 | 65.4 Ų | 65.4 | 32% | 0.322 | 34% | 0.338 | S | S | . | . | trans | -112.5 | 11.5 | 178.1 | -64.3 | 90.7 | 0 | 0 | 0 | 113.3 | M159 N168 K171 P172 H176 L177 | M159-W174 HydrophobicContact CE-CH2 4.18Å; M159-W174 HydrophobicContact CE-CZ3 4.18Å; M159-W174 HydrophobicContact CG-CZ3 4.37Å; M159-W174 HydrophobicContact SD-CE3 4.32Å; M159-W174 HydrophobicContact SD-CH2 4.05Å; M159-W174 HydrophobicContact SD-CZ3 3.45Å; M159-W174 WeakPolarHBondContact SD-CZ3 3.32Å; N168-W174 HydrophobicContact CB-CB 4.46Å; N168-W174 HydrophobicContact CB-CD2 3.75Å; N168-W174 HydrophobicContact CB-CE3 3.98Å; N168-W174 HydrophobicContact CB-CG 4.01Å; N168-W174 HydrophobicContact CB-CZ3 4.45Å; N168-W174 WeakPolarHBondContact O-CB 3.38Å; K171-W174 HydrophobicContact CB-CB 4.37Å; K171-W174 HydrophobicContact CB-CG 4.41Å; K171-W174 PolarHBondContact O-N 3.24Å; P172-W174 PolarHBondContact O-N 3.38Å; W174-H176 PolarHBondContact O-N 3.44Å; W174-L177 HydrophobicContact CB-CD1 4.17Å; W174-L177 HydrophobicContact CB-CG 4.48Å; W174-L177 HydrophobicContact CD2-CD1 4.41Å; W174-L177 HydrophobicContact CE3-CD1 3.65Å; W174-L177 HydrophobicContact CE3-CD2 4.47Å; W174-L177 HydrophobicContact CE3-CG 4.11Å; W174-L177 HydrophobicContact CZ3-CD1 4.42Å; W174-L177 WeakPolarHBondContact O-CB 3.48Å; W174-L177 WeakPolarHBondContact O-CG 3.32Å; W174-L177 PolarHBondContact O-N 3.22Å | ||
| 175 | E | 92.9 | Very high | 92.4 | Very high | 141 Ų | 141 | 60.3 Ų | 60.3 | 66% | 0.659 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -58.8 | -30 | 179 | -64.6 | 173.5 | -168.3 | 0 | 0 | 112.5 | L177 N178 | E175-L177 PolarHBondContact O-N 2.89Å; E175-L177 VanDerWaalsContact O-N 3.07Å; E175-N178 WeakPolarHBondContact O-CB 3.4Å; E175-N178 PolarHBondContact O-N 2.89Å |
| 176 | H | 92.5 | Very high | 92.6 | Very high | 35 Ų | 35 | 61.5 Ų | 61.5 | 16% | 0.162 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -60.6 | -17.9 | 176.3 | 71.8 | 77.7 | 0 | 0 | 0 | 113.4 | R154 G155 N173 W174 N178 D179 | R154-H176 HydrophobicContact CB-CB 4.29Å; G155-H176 CarbonylContact C-O 3.57Å; G155-H176 WeakPolarHBondContact CA-O 3.4Å; G155-H176 PolarHBondContact N-ND1 3.23Å; G155-H176 PolarHBondContact N-O 3.01Å; N173-H176 PolarHBondContact O-CD2 3.37Å; W174-H176 PolarHBondContact O-N 3.44Å; H176-N178 PolarHBondContact O-N 2.85Å; H176-D179 PolarHBondContact O-N 3.48Å |
| 177 | L | 93.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -69.6 | -16.3 | 176.1 | -63.8 | -177.6 | 0 | 0 | 0 | 112.9 | E165 N168 R169 W174 E175 | E165-L177 HydrophobicContact CG-CD1 3.74Å; E165-L177 HydrophobicContact CG-CD2 3.62Å; E165-L177 HydrophobicContact CG-CG 4.18Å; E165-L177 WeakPolarHBondContact O-CD1 3.23Å; N168-L177 HydrophobicContact CB-CD1 4.18Å; R169-L177 HydrophobicContact CG-CB 4.13Å; R169-L177 HydrophobicContact CG-CD1 4.14Å; R169-L177 PolarHBondContact NH1-O 3.2Å; R169-L177 PolarHBondContact NH2-O 3.49Å; W174-L177 HydrophobicContact CB-CD1 4.17Å; W174-L177 HydrophobicContact CB-CG 4.48Å; W174-L177 HydrophobicContact CD2-CD1 4.41Å; W174-L177 HydrophobicContact CE3-CD1 3.65Å; W174-L177 HydrophobicContact CE3-CD2 4.47Å; W174-L177 HydrophobicContact CE3-CG 4.11Å; W174-L177 HydrophobicContact CZ3-CD1 4.42Å; W174-L177 WeakPolarHBondContact O-CB 3.48Å; W174-L177 WeakPolarHBondContact O-CG 3.32Å; W174-L177 PolarHBondContact O-N 3.22Å; E175-L177 PolarHBondContact O-N 2.89Å; E175-L177 VanDerWaalsContact O-N 3.07Å |
| 178 | N | 91.5 | Very high | 93.1 | Very high | 98 Ų | 98 | 56.9 Ų | 56.9 | 52% | 0.524 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -82.5 | -19.1 | 174.5 | -65.4 | -35.3 | 0 | 0 | 0 | 113.6 | R169 E175 H176 | R169-N178 PolarHBondContact NH2-OD1 2.99Å; E175-N178 WeakPolarHBondContact O-CB 3.4Å; E175-N178 PolarHBondContact O-N 2.89Å; H176-N178 PolarHBondContact O-N 2.85Å |
| 179 | D | 94.1 | Very high | 93.3 | Very high | 42 Ų | 42 | 57.5 Ų | 57.5 | 23% | 0.225 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -83 | 158.7 | 175.2 | -156.6 | -10 | 0 | 0 | 0 | 109.8 | K115 Y117 G155 K156 H176 H182 | K115-D179 IonicContact NZ-OD2 3.54Å; K115-D179 PolarHBondContact NZ-OD2 3.32Å; Y117-D179 WeakPolarHBondContact CE1-OD1 3.25Å; Y117-D179 PolarHBondContact OH-OD1 3.39Å; G155-D179 CarbonylContact C-O 3.53Å; G155-D179 VanDerWaalsContact CA-O 3.31Å; G155-D179 WeakPolarHBondContact CA-O 3.13Å; K156-D179 WeakPolarHBondContact CB-O 3.28Å; K156-D179 PolarHBondContact N-O 2.99Å; H176-D179 PolarHBondContact O-N 3.48Å; D179-H182 IonicContact OD2-CE1 3.89Å; D179-H182 PolarHBondContact OD2-CE1 3.26Å; D179-H182 VanDerWaalsContact OD2-CE1 3.29Å; D179-H182 IonicContact OD2-ND1 3.8Å |
| 180 | D | 94.7 | Very high | 93.6 | Very high | 87 Ų | 87 | 54.1 Ų | 54.1 | 47% | 0.465 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 161.1 | 175.8 | -76.8 | -30.5 | 0 | 0 | 0 | 111.2 | Y117 G155 H182 | Y117-D180 HydrophobicContact CD1-CB 4.1Å; Y117-D180 HydrophobicContact CE1-CB 4.13Å; G155-D180 VanDerWaalsContact CA-O 3.3Å; G155-D180 WeakPolarHBondContact CA-O 3.3Å; D180-H182 PolarHBondContact O-N 3.01Å; D180-H182 VanDerWaalsContact O-N 3.11Å; D180-H182 PolarHBondContact O-ND1 3.07Å |
| 181 | L | 96 | Very high | 93.8 | Very high | 13 Ų | 13 | 53.2 Ų | 53.2 | 7% | 0.068 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -56.8 | 119.1 | -179.8 | -172.9 | 68.2 | 0 | 0 | 0 | 110.5 | V118 V120 V129 V153 K156 | V118-L181 HydrophobicContact CB-CB 4.38Å; V118-L181 HydrophobicContact CB-CD2 3.98Å; V118-L181 HydrophobicContact CB-CG 4.09Å; V118-L181 HydrophobicContact CG1-CD2 3.97Å; V118-L181 HydrophobicContact CG2-CD2 4.18Å; V118-L181 HydrophobicContact CG2-CG 4.02Å; V118-L181 PolarHBondContact N-O 3.41Å; V120-L181 HydrophobicContact CG1-CB 4.31Å; V120-L181 HydrophobicContact CG1-CD2 3.56Å; V129-L181 HydrophobicContact CG2-CD1 4.11Å; V129-L181 HydrophobicContact CG2-CD2 3.86Å; V153-L181 HydrophobicContact CG1-CD1 4.04Å; K156-L181 WeakPolarHBondContact O-CB 3.47Å |
| 182 | H | 96.2 | Very high | 93.8 | Very high | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.019 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 155.5 | -178.4 | 63.9 | -89 | 0 | 0 | 0 | 112.1 | V116 Y117 R154 D179 D180 | V116-H182 CarbonylContact O-C 3.58Å; V116-H182 VanDerWaalsContact O-CA 3.31Å; V116-H182 WeakPolarHBondContact O-CA 3.45Å; V116-H182 WeakPolarHBondContact O-CB 3.19Å; Y117-H182 HydrophobicContact CD1-CB 3.92Å; Y117-H182 HydrophobicContact CE1-CB 4.19Å; Y117-H182 HydrophobicContact CG-CB 4.41Å; R154-H182 CarbonylContact C-O 3.55Å; R154-H182 WeakPolarHBondContact CB-NE2 3.26Å; R154-H182 PolarHBondContact N-O 3.22Å; R154-H182 PolarHBondContact O-N 3.45Å; D179-H182 IonicContact OD2-CE1 3.89Å; D179-H182 PolarHBondContact OD2-CE1 3.26Å; D179-H182 VanDerWaalsContact OD2-CE1 3.29Å; D179-H182 IonicContact OD2-ND1 3.8Å; D180-H182 PolarHBondContact O-N 3.01Å; D180-H182 VanDerWaalsContact O-N 3.11Å; D180-H182 PolarHBondContact O-ND1 3.07Å |
| 183 | V | 96.9 | Very high | 94 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 119.9 | 170 | -174.8 | 0 | 0 | 0 | 0 | 107.8 | V116 V118 I132 I151 I185 V205 | V116-V183 PolarHBondContact N-O 2.8Å; V116-V183 PolarHBondContact O-N 3.08Å; V118-V183 HydrophobicContact CG2-CG2 4.27Å; I132-V183 HydrophobicContact CD1-CG2 3.92Å; I151-V183 HydrophobicContact CG2-CG1 3.65Å; V183-I185 HydrophobicContact CG1-CG1 4.32Å; V183-V205 HydrophobicContact CB-CG1 4.23Å; V183-V205 HydrophobicContact CG1-CG1 4.35Å; V183-V205 HydrophobicContact CG1-CG2 4.44Å; V183-V205 HydrophobicContact CG2-CG1 4.2Å |
| 184 | L | 96.4 | Very high | 94.1 | Very high | 15 Ų | 15 | 42.9 Ų | 42.9 | 8% | 0.079 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 120.9 | 171.9 | -178.2 | 70.8 | 0 | 0 | 0 | 108.9 | Q113 K115 M152 R154 | Q113-L184 HydrophobicContact CB-CD1 4.2Å; K115-L184 HydrophobicContact CG-CD1 3.9Å; M152-L184 HydrophobicContact CB-CB 4.31Å; M152-L184 PolarHBondContact N-O 3.15Å; M152-L184 PolarHBondContact O-N 3.35Å; R154-L184 HydrophobicContact CG-CB 4.37Å |
| 185 | I | 97.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 120 | 177 | -56.4 | 175.8 | 0 | 0 | 0 | 106.9 | Q113 E114 V116 C149 K150 I151 V183 A201 V202 V205 | Q113-I185 CarbonylContact C-O 3.53Å; Q113-I185 VanDerWaalsContact CA-O 3.26Å; Q113-I185 WeakPolarHBondContact CA-O 3.47Å; E114-I185 PolarHBondContact N-O 2.84Å; E114-I185 PolarHBondContact O-N 3.33Å; V116-I185 HydrophobicContact CG2-CD1 3.97Å; C149-I185 HydrophobicContact CB-CG2 3.77Å; K150-I185 WeakPolarHBondContact O-CA 3.3Å; I151-I185 HydrophobicContact CD1-CB 4.35Å; I151-I185 HydrophobicContact CD1-CD1 4.45Å; I151-I185 HydrophobicContact CD1-CG1 3.86Å; I151-I185 HydrophobicContact CD1-CG2 4.01Å; V183-I185 HydrophobicContact CG1-CG1 4.32Å; I185-A201 HydrophobicContact CD1-CB 4.22Å; I185-A201 HydrophobicContact CG2-CB 3.75Å; I185-V202 HydrophobicContact CD1-CB 4.41Å; I185-V202 HydrophobicContact CD1-CG2 3.68Å; I185-V205 HydrophobicContact CD1-CB 4.41Å; I185-V205 HydrophobicContact CD1-CG2 3.97Å |
| 186 | Q | 96.6 | Very high | 94.2 | Very high | 30 Ų | 30 | 35.7 Ų | 35.7 | 14% | 0.14 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 133.8 | 179.4 | 175.2 | 174.8 | -23.7 | 0 | 0 | 110.4 | T111 L112 Q113 C149 K150 E188 | T111-Q186 HydrophobicContact CG2-CG 3.76Å; L112-Q186 WeakPolarHBondContact O-CA 3.4Å; Q113-Q186 HydrophobicContact CG-CB 4.05Å; Q113-Q186 HydrophobicContact CG-CG 3.98Å; Q113-Q186 VanDerWaalsContact NE2-OE1 3.09Å; C149-Q186 CarbonylContact C-O 3.09Å; K150-Q186 HydrophobicContact CB-CB 4.34Å; K150-Q186 PolarHBondContact N-O 3.24Å; K150-Q186 PolarHBondContact O-N 3.12Å; Q186-E188 PolarHBondContact NE2-OE1 3.24Å |
| 187 | C | 95.7 | Very high | 94.2 | Very high | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.014 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 133.3 | 175.1 | -174.4 | 0 | 0 | 0 | 0 | 110.4 | T111 L112 K197 I198 | T111-C187 WeakPolarHBondContact CA-O 3.24Å; L112-C187 PolarHBondContact N-O 3.16Å; L112-C187 PolarHBondContact O-N 2.86Å; C187-K197 VanDerWaalsContact SG-CD 3.59Å; C187-I198 HydrophobicContact CB-CD1 3.91Å; C187-I198 HydrophobicContact CB-CG1 3.67Å |
| 188 | E | 95.1 | Very high | 94.3 | Very high | 123 Ų | 123 | 35.5 Ų | 35.5 | 58% | 0.575 | 19% | 0.191 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 98.3 | 176.3 | -70.6 | 173.1 | -165.1 | 0 | 0 | 108.6 | T111 Q186 | T111-E188 HydrophobicContact CG2-CG 3.88Å; Q186-E188 PolarHBondContact NE2-OE1 3.24Å |
| 189 | E | 93.5 | Very high | 94.4 | Very high | 42 Ų | 42 | 38 Ų | 38 | 20% | 0.196 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.2 | 179 | -176.5 | -160.1 | 69.1 | -136.9 | 0 | 0 | 109.8 | V110 R193 A194 K197 | V110-E189 WeakPolarHBondContact CG2-O 3.23Å; V110-E189 PolarHBondContact N-O 2.71Å; V110-E189 PolarHBondContact O-N 3.42Å; V110-E189 VanDerWaalsContact O-N 3.16Å; E189-R193 HydrophobicContact CG-CB 3.6Å; E189-R193 HydrophobicContact CG-CG 4.48Å; E189-R193 IonicContact OE1-CZ 3.92Å; E189-R193 IonicContact OE1-NH1 3.29Å; E189-R193 PolarHBondContact OE1-NH1 2.88Å; E189-A194 HydrophobicContact CB-CB 4.1Å; E189-K197 IonicContact OE2-NZ 3.62Å; E189-K197 PolarHBondContact OE2-NZ 3.28Å |
| 190 | T | 94.4 | Very high | 94.3 | Very high | 7 Ų | 7 | 37.4 Ų | 37.4 | 4% | 0.043 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 148.6 | 167.1 | 58.8 | 0 | 0 | 0 | 0 | 111.4 | P105 E106 N192 R193 A194 | P105-T190 HydrophobicContact CB-CG2 3.67Å; E106-T190 WeakPolarHBondContact O-CB 3.42Å; T190-N192 VanDerWaalsContact C-N 3.3Å; T190-N192 PolarHBondContact O-N 3.1Å; T190-R193 PolarHBondContact O-N 3.44Å; T190-R193 VanDerWaalsContact O-N 3.11Å; T190-R193 WeakPolarHBondContact OG1-CG 3.22Å; T190-A194 VanDerWaalsContact O-CB 3.3Å; T190-A194 WeakPolarHBondContact O-CB 3.26Å; T190-A194 PolarHBondContact O-N 2.87Å |
| 191 | A | 92.3 | Very high | 94.3 | Very high | 45 Ų | 45 | 33.2 Ų | 33.2 | 37% | 0.372 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -53.9 | -44.1 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | V110 R193 A194 A195 | V110-A191 HydrophobicContact CG2-CB 3.89Å; A191-R193 PolarHBondContact O-N 2.87Å; A191-A194 PolarHBondContact O-N 2.98Å; A191-A195 PolarHBondContact O-N 2.88Å; A191-A195 VanDerWaalsContact O-N 3.11Å |
| 192 | N | 90.5 | Very high | 94.2 | Very high | 73 Ų | 73 | 32.9 Ų | 32.9 | 39% | 0.39 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -63.2 | -43.1 | -179.6 | -67.8 | -11.7 | 0 | 0 | 0 | 112.3 | P103 E106 T190 | P103-N192 HydrophobicContact CG-CB 4.4Å; E106-N192 PolarHBondContact OE2-ND2 3.39Å; T190-N192 VanDerWaalsContact C-N 3.3Å; T190-N192 PolarHBondContact O-N 3.1Å |
| 193 | R | 92.7 | Very high | 94.1 | Very high | 58 Ų | 58 | 37.2 Ų | 37.2 | 22% | 0.219 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -75.8 | -40.8 | 179.1 | -64.6 | -177.5 | 79 | -163.8 | 12.9 | 111.8 | L102 P103 E189 T190 A191 A195 V196 K197 | L102-R193 VanDerWaalsContact CD1-NH2 3.25Å; P103-R193 HydrophobicContact CG-CG 4.13Å; P103-R193 WeakPolarHBondContact O-CD 3.41Å; P103-R193 WeakPolarHBondContact O-CG 3.43Å; E189-R193 HydrophobicContact CG-CB 3.6Å; E189-R193 HydrophobicContact CG-CG 4.48Å; E189-R193 IonicContact OE1-CZ 3.92Å; E189-R193 IonicContact OE1-NH1 3.29Å; E189-R193 PolarHBondContact OE1-NH1 2.88Å; T190-R193 PolarHBondContact O-N 3.44Å; T190-R193 VanDerWaalsContact O-N 3.11Å; T190-R193 WeakPolarHBondContact OG1-CG 3.22Å; A191-R193 PolarHBondContact O-N 2.87Å; R193-A195 VanDerWaalsContact C-N 3.32Å; R193-A195 PolarHBondContact O-N 3.41Å; R193-V196 PolarHBondContact O-N 3.45Å; R193-V196 VanDerWaalsContact O-N 3.16Å; R193-K197 WeakPolarHBondContact O-CG 3.43Å; R193-K197 PolarHBondContact O-N 3.44Å |
| 194 | A | 93 | Very high | 93.8 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59 | -43.2 | -180 | 0 | 0 | 0 | 0 | 0 | 111.4 | L112 E189 T190 A191 V196 K197 I198 | L112-A194 HydrophobicContact CB-CB 4.45Å; L112-A194 HydrophobicContact CD1-CB 3.66Å; L112-A194 HydrophobicContact CG-CB 4.12Å; E189-A194 HydrophobicContact CB-CB 4.1Å; T190-A194 VanDerWaalsContact O-CB 3.3Å; T190-A194 WeakPolarHBondContact O-CB 3.26Å; T190-A194 PolarHBondContact O-N 2.87Å; A191-A194 PolarHBondContact O-N 2.98Å; A194-V196 VanDerWaalsContact C-N 3.31Å; A194-V196 PolarHBondContact O-N 3.47Å; A194-K197 PolarHBondContact O-N 2.96Å; A194-I198 WeakPolarHBondContact O-CB 3.41Å; A194-I198 WeakPolarHBondContact O-CG1 3.29Å; A194-I198 PolarHBondContact O-N 3.28Å |
| 195 | A | 92.4 | Very high | 93.7 | Very high | 39 Ų | 39 | 37.1 Ų | 37.1 | 32% | 0.322 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -62.7 | -34.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A191 R193 R199 | A191-A195 PolarHBondContact O-N 2.88Å; A191-A195 VanDerWaalsContact O-N 3.11Å; R193-A195 VanDerWaalsContact C-N 3.32Å; R193-A195 PolarHBondContact O-N 3.41Å; A195-R199 WeakPolarHBondContact O-CB 3.41Å; A195-R199 VanDerWaalsContact O-CG 3.25Å; A195-R199 WeakPolarHBondContact O-CG 3.3Å; A195-R199 PolarHBondContact O-N 2.7Å; A195-R199 PolarHBondContact O-NE 2.74Å |
| 196 | V | 92.6 | Very high | 93.5 | Very high | 36 Ų | 36 | 42.9 Ų | 42.9 | 22% | 0.218 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -71.1 | -47 | 175.2 | 178.1 | 0 | 0 | 0 | 0 | 110.8 | L102 R193 A194 I198 R199 R200 | L102-V196 HydrophobicContact CD2-CB 4.29Å; L102-V196 HydrophobicContact CD2-CG1 4.04Å; R193-V196 PolarHBondContact O-N 3.45Å; R193-V196 VanDerWaalsContact O-N 3.16Å; A194-V196 VanDerWaalsContact C-N 3.31Å; A194-V196 PolarHBondContact O-N 3.47Å; V196-I198 PolarHBondContact O-N 2.68Å; V196-R199 PolarHBondContact O-N 3.05Å; V196-R200 PolarHBondContact O-N 3.21Å; V196-R200 VanDerWaalsContact O-N 3.14Å |
| 197 | K | 93.3 | Very high | 93.2 | Very high | 23 Ų | 23 | 47.1 Ų | 47.1 | 10% | 0.1 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.6 | -45.8 | 179.2 | -72.4 | -179.4 | 172.5 | -175.7 | 0 | 112.4 | L102 C187 E189 R193 A194 R200 A201 | L102-K197 HydrophobicContact CD2-CG 4.09Å; C187-K197 VanDerWaalsContact SG-CD 3.59Å; E189-K197 IonicContact OE2-NZ 3.62Å; E189-K197 PolarHBondContact OE2-NZ 3.28Å; R193-K197 WeakPolarHBondContact O-CG 3.43Å; R193-K197 PolarHBondContact O-N 3.44Å; A194-K197 PolarHBondContact O-N 2.96Å; K197-R200 PolarHBondContact O-N 3.13Å; K197-A201 PolarHBondContact O-N 3.1Å |
| 198 | I | 94.7 | Very high | 93 | Very high | 9 Ų | 9 | 47.8 Ų | 47.8 | 5% | 0.046 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.7 | -47.6 | 179.2 | -71.5 | 178.3 | 0 | 0 | 0 | 110.7 | L112 E114 C187 A194 V196 R200 A201 V202 | L112-I198 HydrophobicContact CB-CD1 3.31Å; L112-I198 HydrophobicContact CD1-CD1 4.41Å; L112-I198 HydrophobicContact CG-CD1 4.5Å; E114-I198 HydrophobicContact CB-CG2 3.73Å; E114-I198 HydrophobicContact CG-CG2 4.46Å; E114-I198 WeakPolarHBondContact OE2-CG2 3.22Å; C187-I198 HydrophobicContact CB-CD1 3.91Å; C187-I198 HydrophobicContact CB-CG1 3.67Å; A194-I198 WeakPolarHBondContact O-CB 3.41Å; A194-I198 WeakPolarHBondContact O-CG1 3.29Å; A194-I198 PolarHBondContact O-N 3.28Å; V196-I198 PolarHBondContact O-N 2.68Å; I198-R200 VanDerWaalsContact C-N 3.28Å; I198-R200 PolarHBondContact O-N 3.1Å; I198-A201 WeakPolarHBondContact O-CB 3.4Å; I198-A201 PolarHBondContact O-N 3.05Å; I198-V202 HydrophobicContact CG2-CG2 4Å; I198-V202 WeakPolarHBondContact O-CG2 3.38Å; I198-V202 PolarHBondContact O-N 2.97Å |
| 199 | R | 93.9 | Very high | 92.8 | Very high | 150 Ų | 150 | 42.7 Ų | 42.7 | 57% | 0.566 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -54.3 | -45.2 | 177.3 | -78.1 | -177.4 | -67.8 | 176.4 | 0.3 | 111.9 | A195 V196 V202 E203 | A195-R199 WeakPolarHBondContact O-CB 3.41Å; A195-R199 VanDerWaalsContact O-CG 3.25Å; A195-R199 WeakPolarHBondContact O-CG 3.3Å; A195-R199 PolarHBondContact O-N 2.7Å; A195-R199 PolarHBondContact O-NE 2.74Å; V196-R199 PolarHBondContact O-N 3.05Å; R199-V202 PolarHBondContact O-N 3Å; R199-E203 WeakPolarHBondContact O-CG 3.4Å; R199-E203 PolarHBondContact O-N 2.73Å |
| 200 | R | 92.3 | Very high | 92.6 | Very high | 29 Ų | 29 | 45.4 Ų | 45.4 | 11% | 0.109 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.1 | -46.7 | 175 | -177.6 | 56.6 | 159 | -151.9 | -14.7 | 112.3 | N96 L100 T147 V196 K197 I198 V202 E203 E204 | N96-R200 VanDerWaalsContact CG-NH2 3.33Å; N96-R200 PolarHBondContact O-NH2 2.93Å; L100-R200 HydrophobicContact CD1-CB 4.41Å; L100-R200 HydrophobicContact CD1-CG 4.34Å; L100-R200 HydrophobicContact CD2-CB 4.11Å; L100-R200 HydrophobicContact CD2-CG 4Å; T147-R200 HydrophobicContact CG2-CG 4.46Å; V196-R200 PolarHBondContact O-N 3.21Å; V196-R200 VanDerWaalsContact O-N 3.14Å; K197-R200 PolarHBondContact O-N 3.13Å; I198-R200 VanDerWaalsContact C-N 3.28Å; I198-R200 PolarHBondContact O-N 3.1Å; R200-V202 VanDerWaalsContact C-N 3.29Å; R200-V202 PolarHBondContact O-N 2.92Å; R200-E203 IonicContact NH1-OE2 2.91Å; R200-E203 PolarHBondContact O-N 3.31Å; R200-E204 IonicContact CZ-OE1 3.23Å; R200-E204 IonicContact NE-OE1 2.97Å; R200-E204 WeakPolarHBondContact O-CG 3.42Å; R200-E204 PolarHBondContact O-N 3.1Å; R200-E204 VanDerWaalsContact O-N 3.09Å |
| 201 | A | 93.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.3 | -39.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | T147 C149 I151 I185 K197 I198 E204 V205 | T147-A201 HydrophobicContact CG2-CB 3.85Å; C149-A201 HydrophobicContact CB-CB 4.02Å; I151-A201 HydrophobicContact CD1-CB 4.44Å; I185-A201 HydrophobicContact CD1-CB 4.22Å; I185-A201 HydrophobicContact CG2-CB 3.75Å; K197-A201 PolarHBondContact O-N 3.1Å; I198-A201 WeakPolarHBondContact O-CB 3.4Å; I198-A201 PolarHBondContact O-N 3.05Å; A201-E204 PolarHBondContact O-N 2.68Å; A201-V205 WeakPolarHBondContact O-CB 3.39Å; A201-V205 VanDerWaalsContact O-CG2 3.29Å; A201-V205 WeakPolarHBondContact O-CG2 3.24Å; A201-V205 PolarHBondContact O-N 3.43Å |
| 202 | V | 95.2 | Very high | 91.8 | Very high | 6 Ų | 6 | 45.8 Ų | 45.8 | 4% | 0.036 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.9 | -42.6 | 177 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | E114 V116 I185 I198 R199 R200 V205 K206 | E114-V202 HydrophobicContact CB-CG2 4.45Å; E114-V202 HydrophobicContact CG-CG2 4.08Å; E114-V202 VanDerWaalsContact OE1-CG2 3.28Å; E114-V202 WeakPolarHBondContact OE1-CG2 3.49Å; E114-V202 WeakPolarHBondContact OE2-CG2 3.3Å; V116-V202 HydrophobicContact CG2-CG1 4.17Å; V116-V202 HydrophobicContact CG2-CG2 4.21Å; I185-V202 HydrophobicContact CD1-CB 4.41Å; I185-V202 HydrophobicContact CD1-CG2 3.68Å; I198-V202 HydrophobicContact CG2-CG2 4Å; I198-V202 WeakPolarHBondContact O-CG2 3.38Å; I198-V202 PolarHBondContact O-N 2.97Å; R199-V202 PolarHBondContact O-N 3Å; R200-V202 VanDerWaalsContact C-N 3.29Å; R200-V202 PolarHBondContact O-N 2.92Å; V202-V205 PolarHBondContact O-N 2.68Å; V202-K206 HydrophobicContact CG1-CD 3.94Å; V202-K206 VanDerWaalsContact CG1-CE 3.5Å; V202-K206 HydrophobicContact CG1-CG 4.38Å; V202-K206 WeakPolarHBondContact O-CB 3.5Å; V202-K206 VanDerWaalsContact O-CG 3.24Å; V202-K206 WeakPolarHBondContact O-CG 3.46Å; V202-K206 PolarHBondContact O-N 3.21Å |
| 203 | E | 93.4 | Very high | 91.4 | Very high | 94 Ų | 94 | 46 Ų | 46 | 44% | 0.439 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.7 | -48.1 | 175 | -72.7 | 170.1 | -169.6 | 0 | 0 | 112 | R199 R200 K206 R207 | R199-E203 WeakPolarHBondContact O-CG 3.4Å; R199-E203 PolarHBondContact O-N 2.73Å; R200-E203 IonicContact NH1-OE2 2.91Å; R200-E203 PolarHBondContact O-N 3.31Å; E203-K206 PolarHBondContact O-N 2.97Å; E203-R207 WeakPolarHBondContact O-CG 3.33Å; E203-R207 PolarHBondContact O-N 3.36Å |
| 204 | E | 90.9 | Very high | 90.6 | Very high | 14 Ų | 14 | 50.1 Ų | 50.1 | 7% | 0.065 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.3 | -41.3 | 179 | -65.3 | -60.7 | 155.3 | 0 | 0 | 111.7 | N96 L143 R200 A201 R207 L208 | N96-E204 PolarHBondContact N-OE1 2.86Å; L143-E204 HydrophobicContact CD1-CB 3.52Å; L143-E204 HydrophobicContact CD1-CG 4.1Å; R200-E204 IonicContact CZ-OE1 3.23Å; R200-E204 IonicContact NE-OE1 2.97Å; R200-E204 WeakPolarHBondContact O-CG 3.42Å; R200-E204 PolarHBondContact O-N 3.1Å; R200-E204 VanDerWaalsContact O-N 3.09Å; A201-E204 PolarHBondContact O-N 2.68Å; E204-R207 WeakPolarHBondContact O-CB 3.43Å; E204-R207 PolarHBondContact O-N 2.96Å; E204-R207 IonicContact OE1-CZ 3.7Å; E204-R207 IonicContact OE1-NH1 3.71Å; E204-R207 PolarHBondContact OE1-NH1 3.33Å; E204-R207 IonicContact OE2-NH1 3.05Å; E204-R207 PolarHBondContact OE2-NH1 3.27Å; E204-L208 PolarHBondContact O-N 3.43Å |
| 205 | V | 93.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63 | -44.5 | 174.4 | 171.7 | 0 | 0 | 0 | 0 | 110.7 | V116 L143 I151 V183 I185 A201 V202 R207 L208 L209 | V116-V205 HydrophobicContact CB-CG1 4.41Å; V116-V205 HydrophobicContact CG1-CG1 4.26Å; L143-V205 HydrophobicContact CD2-CG2 3.85Å; I151-V205 HydrophobicContact CD1-CG2 4.44Å; V183-V205 HydrophobicContact CB-CG1 4.23Å; V183-V205 HydrophobicContact CG1-CG1 4.35Å; V183-V205 HydrophobicContact CG1-CG2 4.44Å; V183-V205 HydrophobicContact CG2-CG1 4.2Å; I185-V205 HydrophobicContact CD1-CB 4.41Å; I185-V205 HydrophobicContact CD1-CG2 3.97Å; A201-V205 WeakPolarHBondContact O-CB 3.39Å; A201-V205 VanDerWaalsContact O-CG2 3.29Å; A201-V205 WeakPolarHBondContact O-CG2 3.24Å; A201-V205 PolarHBondContact O-N 3.43Å; V202-V205 PolarHBondContact O-N 2.68Å; V205-R207 VanDerWaalsContact C-N 3.27Å; V205-R207 PolarHBondContact O-N 3.19Å; V205-L208 WeakPolarHBondContact O-CB 3.47Å; V205-L208 PolarHBondContact O-N 3.18Å; V205-L209 HydrophobicContact CG1-CD1 4.21Å; V205-L209 HydrophobicContact CG1-CG 4.36Å; V205-L209 WeakPolarHBondContact O-CG 3.2Å; V205-L209 PolarHBondContact O-N 3.3Å; V205-L209 VanDerWaalsContact O-N 3.16Å |
| 206 | K | 93.4 | Very high | 89.5 | Confident | 121 Ų | 121 | 59.4 Ų | 59.4 | 53% | 0.526 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -58.8 | -36.8 | 177.3 | -78.2 | 174.5 | 179.1 | 174.8 | 0 | 112.4 | V116 V202 E203 L208 L209 | V116-K206 HydrophobicContact CG1-CG 4.48Å; V202-K206 HydrophobicContact CG1-CD 3.94Å; V202-K206 VanDerWaalsContact CG1-CE 3.5Å; V202-K206 HydrophobicContact CG1-CG 4.38Å; V202-K206 WeakPolarHBondContact O-CB 3.5Å; V202-K206 VanDerWaalsContact O-CG 3.24Å; V202-K206 WeakPolarHBondContact O-CG 3.46Å; V202-K206 PolarHBondContact O-N 3.21Å; E203-K206 PolarHBondContact O-N 2.97Å; K206-L208 VanDerWaalsContact C-N 3.29Å; K206-L208 PolarHBondContact O-N 3.16Å; K206-L209 PolarHBondContact O-N 2.95Å |
| 207 | R | 90.5 | Very high | 89.3 | Confident | 119 Ų | 119 | 58.5 Ų | 58.5 | 45% | 0.449 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.7 | -35.7 | 173.4 | -69.6 | 177.1 | -172.9 | 154.4 | 8.4 | 112.7 | E203 E204 V205 L209 | E203-R207 WeakPolarHBondContact O-CG 3.33Å; E203-R207 PolarHBondContact O-N 3.36Å; E204-R207 WeakPolarHBondContact O-CB 3.43Å; E204-R207 PolarHBondContact O-N 2.96Å; E204-R207 IonicContact OE1-CZ 3.7Å; E204-R207 IonicContact OE1-NH1 3.71Å; E204-R207 PolarHBondContact OE1-NH1 3.33Å; E204-R207 IonicContact OE2-NH1 3.05Å; E204-R207 PolarHBondContact OE2-NH1 3.27Å; V205-R207 VanDerWaalsContact C-N 3.27Å; V205-R207 PolarHBondContact O-N 3.19Å; R207-L209 VanDerWaalsContact C-N 3.32Å |
| 208 | L | 90.9 | Very high | 89.1 | Confident | 16 Ų | 16 | 61.1 Ų | 61.1 | 8% | 0.084 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -73.7 | -24.6 | 177.5 | -61.2 | 174.3 | 0 | 0 | 0 | 113 | R131 I132 L143 E204 V205 K206 V210 L219 | R131-L208 PolarHBondContact NH1-O 3.29Å; I132-L208 HydrophobicContact CG1-CB 4.13Å; I132-L208 HydrophobicContact CG1-CD1 4.22Å; L143-L208 HydrophobicContact CD2-CD1 4.31Å; E204-L208 PolarHBondContact O-N 3.43Å; V205-L208 WeakPolarHBondContact O-CB 3.47Å; V205-L208 PolarHBondContact O-N 3.18Å; K206-L208 VanDerWaalsContact C-N 3.29Å; K206-L208 PolarHBondContact O-N 3.16Å; L208-V210 VanDerWaalsContact C-N 3.31Å; L208-L219 HydrophobicContact CD2-CD2 3.33Å |
| 209 | L | 91.4 | Very high | 88.9 | Confident | 15 Ų | 15 | 62 Ų | 62 | 8% | 0.079 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -6.6 | 178.9 | -62.8 | 179.4 | 0 | 0 | 0 | 114.1 | V116 V118 F128 I132 V205 K206 R207 P211 | V116-L209 HydrophobicContact CG1-CD1 3.64Å; V118-L209 HydrophobicContact CB-CD2 4.26Å; V118-L209 HydrophobicContact CG1-CD2 3.96Å; V118-L209 HydrophobicContact CG2-CD2 3.88Å; F128-L209 HydrophobicContact CD1-CD2 4.12Å; F128-L209 WeakPolarHBondContact CE1-O 3.44Å; I132-L209 HydrophobicContact CD1-CD2 3.99Å; V205-L209 HydrophobicContact CG1-CD1 4.21Å; V205-L209 HydrophobicContact CG1-CG 4.36Å; V205-L209 WeakPolarHBondContact O-CG 3.2Å; V205-L209 PolarHBondContact O-N 3.3Å; V205-L209 VanDerWaalsContact O-N 3.16Å; K206-L209 PolarHBondContact O-N 2.95Å; R207-L209 VanDerWaalsContact C-N 3.32Å; L209-P211 WeakPolarHBondContact O-CD 3.48Å |
| 210 | V | 88.6 | Confident | 88.7 | Confident | 100 Ų | 100 | 58.8 Ų | 58.8 | 61% | 0.606 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -93.4 | 109.7 | 174 | -178.4 | 0 | 0 | 0 | 0 | 109 | R131 L208 A212 | R131-V210 PolarHBondContact NH1-O 2.9Å; L208-V210 VanDerWaalsContact C-N 3.31Å; V210-A212 PolarHBondContact O-N 3.07Å |
| 211 | P | 86.6 | Confident | 88.6 | Confident | 28 Ų | 28 | 63.5 Ų | 63.5 | 18% | 0.182 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 125.8 | 176.5 | 28.2 | -32.2 | 0 | 0 | 0 | 109.5 | Y123 F126 L209 | Y123-P211 HydrophobicContact CD1-CG 3.84Å; Y123-P211 HydrophobicContact CD2-CG 3.75Å; Y123-P211 HydrophobicContact CE1-CG 3.81Å; Y123-P211 HydrophobicContact CE2-CG 3.72Å; Y123-P211 HydrophobicContact CG-CG 3.8Å; F126-P211 HydrophobicContact CD1-CB 4.22Å; F126-P211 HydrophobicContact CD2-CB 3.74Å; F126-P211 HydrophobicContact CE1-CB 4.18Å; F126-P211 HydrophobicContact CE2-CB 3.7Å; F126-P211 HydrophobicContact CG-CB 3.98Å; F126-P211 HydrophobicContact CZ-CB 3.91Å; L209-P211 WeakPolarHBondContact O-CD 3.48Å |
| 212 | A | 83.9 | Confident | 88.4 | Confident | 32 Ų | 32 | 65.2 Ų | 65.2 | 26% | 0.264 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -80.1 | 148.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | V210 D217 | V210-A212 PolarHBondContact O-N 3.07Å; A212-D217 HydrophobicContact CB-CB 3.94Å |
| 213 | P | 81.9 | Confident | 88.3 | Confident | 76 Ų | 76 | 65.7 Ų | 65.7 | 49% | 0.494 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 150.5 | 175.8 | 26.1 | -34.2 | 0 | 0 | 0 | 110.9 | G215 E216 | P213-G215 PolarHBondContact O-N 3.06Å; P213-E216 HydrophobicContact CG-CB 4.19Å; P213-E216 HydrophobicContact CG-CG 4.2Å; P213-E216 VanDerWaalsContact CG-OE2 3.28Å; P213-E216 WeakPolarHBondContact CG-OE2 3.39Å; P213-E216 PolarHBondContact O-N 3.28Å; P213-E216 VanDerWaalsContact O-N 3.12Å |
| 214 | D | 76.7 | Confident | 88.3 | Confident | 146 Ų | 146 | 66 Ų | 66 | 78% | 0.781 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | 126.7 | -175.9 | -76.8 | -42.2 | 0 | 0 | 0 | 111.5 | K220 | D214-K220 IonicContact OD1-NZ 3.74Š|
| 215 | G | 76.7 | Confident | 88.3 | Confident | 85 Ų | 85 | 66.9 Ų | 66.9 | 88% | 0.876 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100.3 | -21.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | P213 | P213-G215 PolarHBondContact O-N 3.06Š|
| 216 | E | 85.8 | Confident | 88.2 | Confident | 148 Ų | 148 | 67.4 Ų | 67.4 | 69% | 0.692 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | -12.7 | 178.7 | -61.9 | -175.9 | -178.7 | 0 | 0 | 112.9 | P213 E218 | P213-E216 HydrophobicContact CG-CB 4.19Å; P213-E216 HydrophobicContact CG-CG 4.2Å; P213-E216 VanDerWaalsContact CG-OE2 3.28Å; P213-E216 WeakPolarHBondContact CG-OE2 3.39Å; P213-E216 PolarHBondContact O-N 3.28Å; P213-E216 VanDerWaalsContact O-N 3.12Å; E216-E218 VanDerWaalsContact C-N 3.31Å; E216-E218 PolarHBondContact O-N 3.46Å |
| 217 | D | 88.6 | Confident | 88.2 | Confident | 17 Ų | 17 | 64.7 Ų | 64.7 | 9% | 0.091 | 35% | 0.346 | C | S | . | . | trans | -73.4 | 81.8 | 178.8 | -163.3 | -11.3 | 0 | 0 | 0 | 112.4 | R131 A212 L219 K220 R221 | R131-D217 IonicContact CZ-OD1 2.76Å; R131-D217 IonicContact CZ-OD2 3.51Å; R131-D217 VanDerWaalsContact CZ-OD2 3.23Å; R131-D217 IonicContact NE-OD1 3.69Å; R131-D217 IonicContact NE-OD2 2.74Å; R131-D217 PolarHBondContact NE-OD2 3.41Å; R131-D217 VanDerWaalsContact NE-OD2 3.1Å; R131-D217 IonicContact NH2-OD1 2.76Å; R131-D217 PolarHBondContact NH2-OD1 3.47Å; R131-D217 IonicContact NH2-OD2 2.7Å; R131-D217 PolarHBondContact NH2-OD2 3.47Å; A212-D217 HydrophobicContact CB-CB 3.94Å; D217-L219 PolarHBondContact O-N 3.46Å; D217-L219 PolarHBondContact OD1-N 3.43Å; D217-K220 HydrophobicContact CB-CB 3.85Å; D217-K220 HydrophobicContact CB-CD 4.43Å; D217-K220 PolarHBondContact O-N 2.98Å; D217-K220 PolarHBondContact OD1-N 2.93Å; D217-K220 VanDerWaalsContact OD1-N 3.07Å; D217-K220 VanDerWaalsContact OD2-CB 3.26Å; D217-K220 WeakPolarHBondContact OD2-CB 3.5Å; D217-R221 PolarHBondContact O-N 2.85Å | ||
| 218 | E | 89.2 | Confident | 88.3 | Confident | 79 Ų | 79 | 60.1 Ų | 60.1 | 37% | 0.369 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.2 | -34.8 | 177.8 | -179.6 | 53.7 | -151.7 | 0 | 0 | 112.3 | E216 R221 K222 | E216-E218 VanDerWaalsContact C-N 3.31Å; E216-E218 PolarHBondContact O-N 3.46Å; E218-R221 PolarHBondContact O-N 3.49Å; E218-R221 IonicContact OE1-CZ 2.67Å; E218-R221 IonicContact OE1-NE 3.09Å; E218-R221 IonicContact OE1-NH2 3.33Å; E218-R221 PolarHBondContact OE1-NH2 3.33Å; E218-R221 IonicContact OE2-CZ 2.65Å; E218-R221 IonicContact OE2-NE 3.35Å; E218-R221 PolarHBondContact OE2-NE 2.68Å; E218-R221 IonicContact OE2-NH2 3.58Å; E218-R221 PolarHBondContact OE2-NH2 3.16Å; E218-R221 VanDerWaalsContact OE2-NH2 3.09Å; E218-K222 HydrophobicContact CG-CD 4.46Å; E218-K222 WeakPolarHBondContact O-CB 3.37Å; E218-K222 WeakPolarHBondContact O-CG 3.43Å; E218-K222 PolarHBondContact O-N 2.84Å; E218-K222 WeakPolarHBondContact OE1-CE 3.5Å |
| 219 | L | 89.4 | Confident | 88.3 | Confident | 28 Ų | 28 | 59.7 Ų | 59.7 | 15% | 0.147 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.1 | -49.8 | 176.7 | 175.6 | 63.4 | 0 | 0 | 0 | 111 | I93 R131 L208 D217 R221 K222 Q223 | I93-L219 HydrophobicContact CD1-CD1 4.03Å; I93-L219 HydrophobicContact CG1-CD1 3.75Å; I93-L219 HydrophobicContact CG2-CD1 4.29Å; R131-L219 HydrophobicContact CG-CD2 4.24Å; L208-L219 HydrophobicContact CD2-CD2 3.33Å; D217-L219 PolarHBondContact O-N 3.46Å; D217-L219 PolarHBondContact OD1-N 3.43Å; L219-R221 VanDerWaalsContact C-N 3.28Å; L219-R221 PolarHBondContact O-N 3Å; L219-K222 PolarHBondContact O-N 3.39Å; L219-Q223 HydrophobicContact CD1-CG 4.26Å; L219-Q223 WeakPolarHBondContact O-CG 3.39Å; L219-Q223 PolarHBondContact O-N 2.9Å |
| 220 | K | 90.2 | Very high | 88.2 | Confident | 81 Ų | 81 | 60.2 Ų | 60.2 | 35% | 0.352 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.1 | -41.1 | 176.5 | -178.9 | 178.8 | 179.1 | -175.8 | 0 | 110.9 | D214 D217 Q223 L224 | D214-K220 IonicContact OD1-NZ 3.74Å; D217-K220 HydrophobicContact CB-CB 3.85Å; D217-K220 HydrophobicContact CB-CD 4.43Å; D217-K220 PolarHBondContact O-N 2.98Å; D217-K220 PolarHBondContact OD1-N 2.93Å; D217-K220 VanDerWaalsContact OD1-N 3.07Å; D217-K220 VanDerWaalsContact OD2-CB 3.26Å; D217-K220 WeakPolarHBondContact OD2-CB 3.5Å; K220-Q223 PolarHBondContact O-N 2.74Å; K220-L224 HydrophobicContact CG-CD1 4.02Å; K220-L224 HydrophobicContact CG-CG 4.49Å; K220-L224 WeakPolarHBondContact O-CB 3.33Å; K220-L224 VanDerWaalsContact O-CG 3.28Å; K220-L224 WeakPolarHBondContact O-CG 3.06Å; K220-L224 PolarHBondContact O-N 2.86Å |
| 221 | R | 90.2 | Very high | 88.4 | Confident | 128 Ų | 128 | 59.8 Ų | 59.8 | 48% | 0.483 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.4 | -48.5 | 175.4 | -169.3 | -173.6 | 71 | 79.4 | -8.6 | 112.2 | D217 E218 L219 L224 M225 | D217-R221 PolarHBondContact O-N 2.85Å; E218-R221 PolarHBondContact O-N 3.49Å; E218-R221 IonicContact OE1-CZ 2.67Å; E218-R221 IonicContact OE1-NE 3.09Å; E218-R221 IonicContact OE1-NH2 3.33Å; E218-R221 PolarHBondContact OE1-NH2 3.33Å; E218-R221 IonicContact OE2-CZ 2.65Å; E218-R221 IonicContact OE2-NE 3.35Å; E218-R221 PolarHBondContact OE2-NE 2.68Å; E218-R221 IonicContact OE2-NH2 3.58Å; E218-R221 PolarHBondContact OE2-NH2 3.16Å; E218-R221 VanDerWaalsContact OE2-NH2 3.09Å; L219-R221 VanDerWaalsContact C-N 3.28Å; L219-R221 PolarHBondContact O-N 3Å; R221-L224 PolarHBondContact O-N 2.78Å; R221-M225 VanDerWaalsContact O-CB 3.27Å; R221-M225 WeakPolarHBondContact O-CB 3.44Å; R221-M225 PolarHBondContact O-N 3.2Å |
| 222 | K | 90.2 | Very high | 88.5 | Confident | 36 Ų | 36 | 61.2 Ų | 61.2 | 16% | 0.157 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.1 | -48.3 | 176.2 | -79.1 | 176.6 | 179.7 | 174.4 | 0 | 111.4 | F91 E94 E218 L219 M225 E226 | F91-K222 HydrophobicContact CD1-CB 4.06Å; F91-K222 WeakPolarHBondContact CD1-O 3.41Å; F91-K222 VanDerWaalsContact CE1-O 3.23Å; F91-K222 WeakPolarHBondContact CE1-O 3.35Å; E94-K222 IonicContact OE1-NZ 3.08Å; E218-K222 HydrophobicContact CG-CD 4.46Å; E218-K222 WeakPolarHBondContact O-CB 3.37Å; E218-K222 WeakPolarHBondContact O-CG 3.43Å; E218-K222 PolarHBondContact O-N 2.84Å; E218-K222 WeakPolarHBondContact OE1-CE 3.5Å; L219-K222 PolarHBondContact O-N 3.39Å; K222-M225 PolarHBondContact O-N 2.94Å; K222-E226 PolarHBondContact O-N 2.82Å |
| 223 | Q | 93 | Very high | 88.8 | Confident | 17 Ų | 17 | 64.1 Ų | 64.1 | 8% | 0.079 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.1 | -44.3 | 179.4 | -72.2 | -179.6 | -7.7 | 0 | 0 | 113.1 | R131 T139 L219 K220 E226 L227 | R131-Q223 PolarHBondContact O-NE2 3.07Å; R131-Q223 PolarHBondContact O-OE1 2.87Å; T139-Q223 PolarHBondContact OG1-NE2 3.43Å; L219-Q223 HydrophobicContact CD1-CG 4.26Å; L219-Q223 WeakPolarHBondContact O-CG 3.39Å; L219-Q223 PolarHBondContact O-N 2.9Å; K220-Q223 PolarHBondContact O-N 2.74Å; Q223-E226 PolarHBondContact O-N 2.91Å; Q223-L227 WeakPolarHBondContact O-CB 3.31Å; Q223-L227 PolarHBondContact O-N 3.04Å |
| 224 | L | 92.6 | Very high | 89.1 | Confident | 100 Ų | 100 | 63.8 Ų | 63.8 | 52% | 0.524 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67.4 | -38.8 | 177.8 | -72 | 175.6 | 0 | 0 | 0 | 111.8 | K220 R221 L227 A228 | K220-L224 HydrophobicContact CG-CD1 4.02Å; K220-L224 HydrophobicContact CG-CG 4.49Å; K220-L224 WeakPolarHBondContact O-CB 3.33Å; K220-L224 VanDerWaalsContact O-CG 3.28Å; K220-L224 WeakPolarHBondContact O-CG 3.06Å; K220-L224 PolarHBondContact O-N 2.86Å; R221-L224 PolarHBondContact O-N 2.78Å; L224-L227 PolarHBondContact O-N 3.49Å; L224-A228 WeakPolarHBondContact O-CB 3.49Å; L224-A228 PolarHBondContact O-N 3.3Å |
| 225 | M | 91.3 | Very high | 89.5 | Confident | 33 Ų | 33 | 66.5 Ų | 66.5 | 16% | 0.163 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.6 | -49.7 | 173.3 | 177.4 | 166.3 | 75.3 | 0 | 0 | 110.9 | V47 F91 R221 K222 L227 A228 I229 Y234 | V47-M225 HydrophobicContact CG1-SD 4.44Å; V47-M225 HydrophobicContact CG2-CE 4.2Å; V47-M225 HydrophobicContact CG2-SD 4.3Å; F91-M225 HydrophobicContact CD1-CE 4.41Å; F91-M225 HydrophobicContact CE1-CB 4.31Å; F91-M225 HydrophobicContact CE1-CE 3.45Å; F91-M225 VanDerWaalsContact CE1-CE 3.45Å; F91-M225 HydrophobicContact CE1-CG 4.22Å; F91-M225 HydrophobicContact CZ-CE 4.02Å; F91-M225 HydrophobicContact CZ-CG 4.39Å; R221-M225 VanDerWaalsContact O-CB 3.27Å; R221-M225 WeakPolarHBondContact O-CB 3.44Å; R221-M225 PolarHBondContact O-N 3.2Å; K222-M225 PolarHBondContact O-N 2.94Å; M225-L227 VanDerWaalsContact C-N 3.34Å; M225-L227 PolarHBondContact O-N 3.49Å; M225-A228 PolarHBondContact O-N 3.01Å; M225-I229 HydrophobicContact CG-CD1 3.88Å; M225-I229 VanDerWaalsContact O-CD1 3.28Å; M225-I229 WeakPolarHBondContact O-CD1 3.3Å; M225-I229 VanDerWaalsContact O-CG1 3.24Å; M225-I229 WeakPolarHBondContact O-CG1 3.42Å; M225-I229 PolarHBondContact O-N 3.16Å; M225-Y234 HydrophobicContact CG-CD2 4.19Å; M225-Y234 HydrophobicContact CG-CE2 3.68Å; M225-Y234 HydrophobicContact SD-CE2 4.08Å |
| 226 | E | 90.6 | Very high | 89.6 | Confident | 11 Ų | 11 | 63.6 Ų | 63.6 | 5% | 0.051 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.7 | -44.6 | 176.6 | -173.6 | 172.2 | -163.3 | 0 | 0 | 112.3 | R87 F91 P135 K222 Q223 A228 I229 I230 | R87-E226 IonicContact CZ-OE1 3.05Å; R87-E226 IonicContact NE-OE1 3.61Å; R87-E226 PolarHBondContact NE-OE1 3.23Å; R87-E226 IonicContact NH2-OE1 2.68Å; R87-E226 PolarHBondContact NH2-OE1 3.3Å; F91-E226 HydrophobicContact CD1-CB 3.92Å; F91-E226 HydrophobicContact CD2-CB 4.01Å; F91-E226 HydrophobicContact CD2-CG 3.83Å; F91-E226 HydrophobicContact CE1-CB 3.66Å; F91-E226 HydrophobicContact CE1-CG 4.49Å; F91-E226 HydrophobicContact CE2-CB 3.77Å; F91-E226 HydrophobicContact CE2-CG 3.72Å; F91-E226 HydrophobicContact CG-CB 4.1Å; F91-E226 HydrophobicContact CG-CG 4.29Å; F91-E226 HydrophobicContact CZ-CB 3.6Å; F91-E226 HydrophobicContact CZ-CG 4.08Å; P135-E226 HydrophobicContact CB-CG 4.47Å; P135-E226 HydrophobicContact CG-CB 4.09Å; P135-E226 HydrophobicContact CG-CG 3.99Å; P135-E226 WeakPolarHBondContact CG-OE2 3.3Å; K222-E226 PolarHBondContact O-N 2.82Å; Q223-E226 PolarHBondContact O-N 2.91Å; E226-A228 PolarHBondContact O-N 3.11Å; E226-I229 PolarHBondContact O-N 3.12Å; E226-I230 HydrophobicContact CG-CD1 3.96Å; E226-I230 VanDerWaalsContact O-CG1 3.31Å; E226-I230 WeakPolarHBondContact O-CG1 3.47Å; E226-I230 PolarHBondContact O-N 3.41Å |
| 227 | L | 93.1 | Very high | 88.9 | Confident | 64 Ų | 64 | 61 Ų | 61 | 34% | 0.335 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.2 | -43.7 | 177.9 | -174.4 | 62.7 | 0 | 0 | 0 | 111.9 | P135 Q223 L224 M225 I229 I230 N231 | P135-L227 HydrophobicContact CB-CB 4.26Å; P135-L227 HydrophobicContact CB-CD1 4.26Å; Q223-L227 WeakPolarHBondContact O-CB 3.31Å; Q223-L227 PolarHBondContact O-N 3.04Å; L224-L227 PolarHBondContact O-N 3.49Å; M225-L227 VanDerWaalsContact C-N 3.34Å; M225-L227 PolarHBondContact O-N 3.49Å; L227-I229 VanDerWaalsContact C-N 3.3Å; L227-I229 PolarHBondContact O-N 2.9Å; L227-I230 PolarHBondContact O-N 3.5Å; L227-N231 WeakPolarHBondContact O-CB 3.31Å; L227-N231 VanDerWaalsContact O-CG 3.25Å; L227-N231 PolarHBondContact O-N 2.97Å; L227-N231 PolarHBondContact O-ND2 3.28Å |
| 228 | A | 93.3 | Very high | 87.6 | Confident | 22 Ų | 22 | 66.2 Ų | 66.2 | 18% | 0.182 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.1 | -36.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | L224 M225 E226 N231 G232 T233 Y234 | L224-A228 WeakPolarHBondContact O-CB 3.49Å; L224-A228 PolarHBondContact O-N 3.3Å; M225-A228 PolarHBondContact O-N 3.01Å; E226-A228 PolarHBondContact O-N 3.11Å; A228-N231 PolarHBondContact O-N 3.06Å; A228-G232 PolarHBondContact O-N 2.84Å; A228-T233 PolarHBondContact O-N 3.28Å; A228-T233 PolarHBondContact O-OG1 3.45Å; A228-Y234 HydrophobicContact CB-CD2 4.34Å; A228-Y234 PolarHBondContact O-N 3.37Å; A228-Y234 VanDerWaalsContact O-N 3.14Å |
| 229 | I | 91.1 | Very high | 86.1 | Confident | 8 Ų | 8 | 67.8 Ų | 67.8 | 4% | 0.041 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -67.6 | -45 | 176.7 | -67 | 156.6 | 0 | 0 | 0 | 110.6 | V47 L50 A51 L54 F91 M225 E226 L227 N231 G232 Y234 | V47-I229 HydrophobicContact CG1-CD1 3.31Å; V47-I229 HydrophobicContact CG1-CG1 4.1Å; L50-I229 HydrophobicContact CD2-CG2 4.2Å; L50-I229 HydrophobicContact CG-CG2 4.15Å; A51-I229 HydrophobicContact CB-CG2 4.21Å; L54-I229 HydrophobicContact CD1-CG2 3.49Å; L54-I229 VanDerWaalsContact CD1-CG2 3.49Å; F91-I229 HydrophobicContact CZ-CD1 3.88Å; M225-I229 HydrophobicContact CG-CD1 3.88Å; M225-I229 VanDerWaalsContact O-CD1 3.28Å; M225-I229 WeakPolarHBondContact O-CD1 3.3Å; M225-I229 VanDerWaalsContact O-CG1 3.24Å; M225-I229 WeakPolarHBondContact O-CG1 3.42Å; M225-I229 PolarHBondContact O-N 3.16Å; E226-I229 PolarHBondContact O-N 3.12Å; L227-I229 VanDerWaalsContact C-N 3.3Å; L227-I229 PolarHBondContact O-N 2.9Å; I229-N231 VanDerWaalsContact C-N 3.32Å; I229-N231 PolarHBondContact O-N 3.34Å; I229-G232 PolarHBondContact O-N 3.37Å; I229-G232 VanDerWaalsContact O-N 3.14Å; I229-Y234 HydrophobicContact CD1-CD2 4.47Å; I229-Y234 HydrophobicContact CD1-CG 4.46Å; I229-Y234 HydrophobicContact CG1-CD1 3.96Å; I229-Y234 HydrophobicContact CG1-CD2 3.92Å; I229-Y234 HydrophobicContact CG1-CG 3.56Å |
| 230 | I | 89.4 | Confident | 84.2 | Confident | 25 Ų | 25 | 72.3 Ų | 72.3 | 13% | 0.128 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -60.6 | -43 | 176.3 | -68.5 | 166.9 | 0 | 0 | 0 | 111.1 | L54 P135 E226 L227 G232 | L54-I230 HydrophobicContact CD1-CG1 4.36Å; P135-I230 HydrophobicContact CB-CD1 4.31Å; E226-I230 HydrophobicContact CG-CD1 3.96Å; E226-I230 VanDerWaalsContact O-CG1 3.31Å; E226-I230 WeakPolarHBondContact O-CG1 3.47Å; E226-I230 PolarHBondContact O-N 3.41Å; L227-I230 PolarHBondContact O-N 3.5Å; I230-G232 VanDerWaalsContact C-N 3.26Å; I230-G232 PolarHBondContact O-N 3.04Å |
| 231 | N | 92.3 | Very high | 82.3 | Confident | 91 Ų | 91 | 75.9 Ų | 75.9 | 49% | 0.487 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -75.1 | -15.9 | 179.5 | -67.9 | -14.6 | 0 | 0 | 0 | 112.8 | L227 A228 I229 T233 | L227-N231 WeakPolarHBondContact O-CB 3.31Å; L227-N231 VanDerWaalsContact O-CG 3.25Å; L227-N231 PolarHBondContact O-N 2.97Å; L227-N231 PolarHBondContact O-ND2 3.28Å; A228-N231 PolarHBondContact O-N 3.06Å; I229-N231 VanDerWaalsContact C-N 3.32Å; I229-N231 PolarHBondContact O-N 3.34Å; N231-T233 VanDerWaalsContact C-N 3.33Å; N231-T233 HydrophobicContact CB-CG2 4.49Å |
| 232 | G | 88.4 | Confident | 80.5 | Confident | 58 Ų | 58 | 73.5 Ų | 73.5 | 60% | 0.598 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.1 | 16.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | A228 I229 I230 | A228-G232 PolarHBondContact O-N 2.84Å; I229-G232 PolarHBondContact O-N 3.37Å; I229-G232 VanDerWaalsContact O-N 3.14Å; I230-G232 VanDerWaalsContact C-N 3.26Å; I230-G232 PolarHBondContact O-N 3.04Å |
| 233 | T | 91.2 | Very high | 78.7 | Confident | 94 Ų | 94 | 74.3 Ų | 74.3 | 58% | 0.577 | 41% | 0.408 | S | S | * | . | trans | -97.8 | -4.2 | 178.5 | 57.2 | 0 | 0 | 0 | 0 | 113 | A228 N231 R235 | A228-T233 PolarHBondContact O-N 3.28Å; A228-T233 PolarHBondContact O-OG1 3.45Å; N231-T233 VanDerWaalsContact C-N 3.33Å; N231-T233 HydrophobicContact CB-CG2 4.49Å; T233-R235 PolarHBondContact O-N 2.86Å | ||
| 234 | Y | 88.2 | Confident | 76.8 | Confident | 69 Ų | 69 | 78.6 Ų | 78.6 | 27% | 0.271 | 43% | 0.431 | S | S | . | . | trans | -61.7 | 128.8 | 178.5 | -176.8 | -103.9 | 0 | 0 | 0 | 112 | V47 M225 A228 I229 P236 | V47-Y234 HydrophobicContact CG1-CD1 4.31Å; V47-Y234 HydrophobicContact CG1-CE1 3.64Å; V47-Y234 HydrophobicContact CG1-CE2 4.44Å; M225-Y234 HydrophobicContact CG-CD2 4.19Å; M225-Y234 HydrophobicContact CG-CE2 3.68Å; M225-Y234 HydrophobicContact SD-CE2 4.08Å; A228-Y234 HydrophobicContact CB-CD2 4.34Å; A228-Y234 PolarHBondContact O-N 3.37Å; A228-Y234 VanDerWaalsContact O-N 3.14Å; I229-Y234 HydrophobicContact CD1-CD2 4.47Å; I229-Y234 HydrophobicContact CD1-CG 4.46Å; I229-Y234 HydrophobicContact CG1-CD1 3.96Å; I229-Y234 HydrophobicContact CG1-CD2 3.92Å; I229-Y234 HydrophobicContact CG1-CG 3.56Å; Y234-P236 HydrophobicContact CE1-CB 4.13Å | ||
| 235 | R | 85.1 | Confident | 74.7 | Confident | 202 Ų | 202 | 82.8 Ų | 82.8 | 76% | 0.762 | 44% | 0.44 | S | S | * | . | trans | -124.4 | 120.6 | 171.1 | -58.7 | -159.4 | -171.3 | -73 | 1.3 | 109 | T233 | T233-R235 PolarHBondContact O-N 2.86Š| ||
| 236 | P | 78 | Confident | 72.7 | Confident | 24 Ų | 24 | 88.7 Ų | 88.7 | 16% | 0.156 | 46% | 0.464 | C | S | . | . | trans | -69.8 | 137 | 178.6 | 27.5 | -32.3 | 0 | 0 | 0 | 109.9 | Y234 N238 Q239 | Y234-P236 HydrophobicContact CE1-CB 4.13Å; P236-N238 PolarHBondContact O-N 3.41Å; P236-Q239 HydrophobicContact CG-CG 3.77Å; P236-Q239 PolarHBondContact O-N 2.9Å; P236-Q239 VanDerWaalsContact O-N 3.14Å | ||
| 237 | A | 72.4 | Confident | 71 | Confident | 95 Ų | 95 | 94.4 Ų | 94.4 | 79% | 0.785 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -21.6 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 238 | N | 61.1 | Low | 69.1 | Low | 125 Ų | 125 | 96.6 Ų | 96.6 | 67% | 0.668 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -8.6 | -176.4 | -73.5 | -19.9 | 0 | 0 | 0 | 115.5 | P236 N240 K241 | P236-N238 PolarHBondContact O-N 3.41Å; N238-N240 VanDerWaalsContact C-N 3.32Å; N238-N240 PolarHBondContact O-N 3.4Å; N238-K241 PolarHBondContact O-N 3.39Å |
| 239 | Q | 57 | Low | 67 | Low | 112 Ų | 112 | 103 Ų | 103 | 52% | 0.523 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -72.7 | -23.1 | -178.2 | -79.6 | 175.7 | 8.4 | 0 | 0 | 113.7 | P236 K241 V242 A243 | P236-Q239 HydrophobicContact CG-CG 3.77Å; P236-Q239 PolarHBondContact O-N 2.9Å; P236-Q239 VanDerWaalsContact O-N 3.14Å; Q239-K241 VanDerWaalsContact C-N 3.28Å; Q239-K241 PolarHBondContact O-N 3.09Å; Q239-V242 PolarHBondContact O-N 2.99Å; Q239-A243 PolarHBondContact O-N 3.34Å |
| 240 | N | 50.4 | Low | 64.9 | Low | 123 Ų | 123 | 110.2 Ų | 110.2 | 66% | 0.658 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -67.6 | -24.6 | 178.4 | -79.6 | -3.1 | 0 | 0 | 0 | 113.4 | N238 I244 | N238-N240 VanDerWaalsContact C-N 3.32Å; N238-N240 PolarHBondContact O-N 3.4Å; N240-I244 WeakPolarHBondContact O-CD1 3.02Å; N240-I244 WeakPolarHBondContact O-CG1 3.32Å |
| 241 | K | 48.9 | Very low | 62.9 | Low | 156 Ų | 156 | 113.7 Ų | 113.7 | 68% | 0.678 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -77.8 | -25.3 | 176.7 | -66.2 | -175.1 | 179.6 | -179.1 | 0 | 113.1 | N238 Q239 | N238-K241 PolarHBondContact O-N 3.39Å; Q239-K241 VanDerWaalsContact C-N 3.28Å; Q239-K241 PolarHBondContact O-N 3.09Å |
| 242 | V | 52.2 | Low | 61 | Low | 79 Ų | 79 | 116.7 Ų | 116.7 | 48% | 0.479 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -91.6 | -33 | -177 | -176.3 | 0 | 0 | 0 | 0 | 111.8 | Q239 I244 R245 K246 | Q239-V242 PolarHBondContact O-N 2.99Å; V242-I244 PolarHBondContact O-N 3.3Å; V242-R245 PolarHBondContact O-N 3.16Å; V242-K246 PolarHBondContact O-N 3.14Å |
| 243 | A | 52.3 | Low | 59.2 | Low | 52 Ų | 52 | 118.4 Ų | 118.4 | 43% | 0.43 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -63.9 | -39.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q239 R245 K246 I247 | Q239-A243 PolarHBondContact O-N 3.34Å; A243-R245 VanDerWaalsContact C-N 3.34Å; A243-R245 PolarHBondContact O-N 3.19Å; A243-K246 PolarHBondContact O-N 3.32Å; A243-I247 PolarHBondContact O-N 3.23Å |
| 244 | I | 53.4 | Low | 57 | Low | 107 Ų | 107 | 120.4 Ų | 120.4 | 55% | 0.549 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -68.3 | -34.5 | 177.1 | -59.4 | 171.9 | 0 | 0 | 0 | 111.1 | N240 V242 K246 I247 L248 | N240-I244 WeakPolarHBondContact O-CD1 3.02Å; N240-I244 WeakPolarHBondContact O-CG1 3.32Å; V242-I244 PolarHBondContact O-N 3.3Å; I244-K246 PolarHBondContact O-N 3.07Å; I244-I247 PolarHBondContact O-N 3.05Å; I244-L248 HydrophobicContact CG2-CD1 3.99Å; I244-L248 PolarHBondContact O-N 3.02Å; I244-L248 VanDerWaalsContact O-N 3.15Å |
| 245 | R | 49.5 | Very low | 54.6 | Low | 188 Ų | 188 | 123 Ų | 123 | 71% | 0.709 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -67.8 | -32.9 | 176.6 | -79.8 | -178.8 | 164.6 | 157.1 | -3.3 | 113.6 | V242 A243 H249 | V242-R245 PolarHBondContact O-N 3.16Å; A243-R245 VanDerWaalsContact C-N 3.34Å; A243-R245 PolarHBondContact O-N 3.19Å; R245-H249 WeakPolarHBondContact O-CB 3.48Å; R245-H249 PolarHBondContact O-N 3.31Å; R245-H249 VanDerWaalsContact O-N 3.08Å |
| 246 | K | 49.4 | Very low | 52.8 | Low | 158 Ų | 158 | 124.4 Ų | 124.4 | 69% | 0.687 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -72 | -33.7 | 176.5 | -72.9 | -173.2 | 178 | -176.5 | 0 | 112.8 | V242 A243 I244 F250 | V242-K246 PolarHBondContact O-N 3.14Å; A243-K246 PolarHBondContact O-N 3.32Å; I244-K246 PolarHBondContact O-N 3.07Å; K246-F250 WeakPolarHBondContact O-CB 3.45Å; K246-F250 PolarHBondContact O-N 3.34Å |
| 247 | I | 53.4 | Low | 51.1 | Low | 130 Ų | 130 | 128.6 Ų | 128.6 | 67% | 0.667 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -70.8 | -38.1 | 176.1 | -66.5 | 165.2 | 0 | 0 | 0 | 110.7 | A243 I244 S251 | A243-I247 PolarHBondContact O-N 3.23Å; I244-I247 PolarHBondContact O-N 3.05Å; I247-S251 PolarHBondContact O-N 3.4Å |
| 248 | L | 53.7 | Low | 50 | Low | 111 Ų | 111 | 131.1 Ų | 131.1 | 58% | 0.581 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -72.2 | -32.1 | 176.8 | -73.4 | 165.4 | 0 | 0 | 0 | 113.5 | I244 | I244-L248 HydrophobicContact CG2-CD1 3.99Å; I244-L248 PolarHBondContact O-N 3.02Å; I244-L248 VanDerWaalsContact O-N 3.15Å |
| 249 | H | 49.7 | Very low | 49.3 | Very low | 156 Ų | 156 | 131.3 Ų | 131.3 | 72% | 0.722 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -81.9 | -22.7 | 179.1 | -153.6 | -109.1 | 0 | 0 | 0 | 113.6 | R245 | R245-H249 WeakPolarHBondContact O-CB 3.48Å; R245-H249 PolarHBondContact O-N 3.31Å; R245-H249 VanDerWaalsContact O-N 3.08Å |
| 250 | F | 46.1 | Very low | 49.3 | Very low | 160 Ų | 160 | 130.6 Ų | 130.6 | 70% | 0.702 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -76.6 | -27.1 | 173.8 | -167.4 | -106.1 | 0 | 0 | 0 | 112.4 | K246 L252 | K246-F250 WeakPolarHBondContact O-CB 3.45Å; K246-F250 PolarHBondContact O-N 3.34Å; F250-L252 VanDerWaalsContact C-N 3.31Å; F250-L252 PolarHBondContact O-N 3.18Å |
| 251 | S | 48.8 | Very low | 49.1 | Very low | 97 Ų | 97 | 130.2 Ų | 130.2 | 68% | 0.678 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | -16.5 | 178.3 | -169 | 0 | 0 | 0 | 0 | 114.2 | I247 | I247-S251 PolarHBondContact O-N 3.4Š|
| 252 | L | 51.1 | Low | 48.9 | Very low | 154 Ų | 154 | 131 Ų | 131 | 81% | 0.806 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.7 | 6.4 | -174.3 | -80.7 | 153.2 | 0 | 0 | 0 | 114.7 | F250 | F250-L252 VanDerWaalsContact C-N 3.31Å; F250-L252 PolarHBondContact O-N 3.18Å |
| 253 | S | 50.6 | Low | 48.5 | Very low | 94 Ų | 94 | 139.2 Ų | 139.2 | 66% | 0.657 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -112.2 | 4.3 | -176.9 | -174.1 | 0 | 0 | 0 | 0 | 114.8 | ||
| 254 | L | 46.6 | Very low | 48.2 | Very low | 137 Ų | 137 | 140.8 Ų | 140.8 | 72% | 0.717 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -125 | 29.8 | -177.3 | -103.2 | 94.6 | 0 | 0 | 0 | 114.7 | ||
| 255 | C | 37.9 | Very low | 48.4 | Very low | 123 Ų | 123 | 141.4 Ų | 141.4 | 83% | 0.831 | 75% | 0.75 | S | S | * | * | trans | -137.2 | 77.8 | 166.8 | -77.4 | 0 | 0 | 0 | 0 | 109.7 | P257 | C255-P257 WeakPolarHBondContact O-CD 3.25Š| ||
| 256 | R | 47.1 | Very low | 48.2 | Very low | 231 Ų | 231 | 138 Ų | 138 | 87% | 0.872 | 75% | 0.752 | S | S | * | * | trans | -88.1 | 111.9 | 166.5 | -168.7 | 174.9 | 170.3 | -176.1 | -3.8 | 106.9 | L258 | R256-L258 PolarHBondContact O-N 3.35Š| ||
| 257 | P | 42.5 | Very low | 48.3 | Very low | 112 Ų | 112 | 139.1 Ų | 139.1 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | trans | -75.6 | 109 | 177.7 | 29.5 | -28.8 | 0 | 0 | 0 | 107.8 | C255 T259 | C255-P257 WeakPolarHBondContact O-CD 3.25Å; P257-T259 PolarHBondContact O-N 3.41Å | ||
| 258 | L | 48.9 | Very low | 48 | Very low | 149 Ų | 149 | 136.4 Ų | 136.4 | 78% | 0.78 | 77% | 0.769 | S | S | * | * | trans | -84.9 | 101.7 | 170.2 | -165.6 | 67.7 | 0 | 0 | 0 | 108 | R256 S260 | R256-L258 PolarHBondContact O-N 3.35Å; L258-S260 PolarHBondContact O-N 3.03Å | ||
| 259 | T | 46.4 | Very low | 47.9 | Very low | 129 Ų | 129 | 136.2 Ų | 136.2 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | trans | -64 | 117.3 | 171.4 | 51.2 | 0 | 0 | 0 | 0 | 110.1 | P257 | P257-T259 PolarHBondContact O-N 3.41Š| ||
| 260 | S | 56.5 | Low | 47.6 | Very low | 97 Ų | 97 | 134 Ų | 134 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | trans | -146 | 132.5 | 158.1 | -20 | 0 | 0 | 0 | 0 | 108.6 | L258 | L258-S260 PolarHBondContact O-N 3.03Š| ||
| 261 | P | 46.6 | Very low | 47.9 | Very low | 115 Ų | 115 | 133.3 Ų | 133.3 | 75% | 0.747 | 79% | 0.787 | S | S | * | * | trans | -88.8 | 150.4 | -173 | 35.1 | -33.4 | 0 | 0 | 0 | 112.9 | ||||
| 262 | L | 43.9 | Very low | 47.8 | Very low | 171 Ų | 171 | 135.7 Ų | 135.7 | 90% | 0.895 | 79% | 0.791 | S | S | * | * | trans | 60.2 | 105.6 | 143.3 | -60.5 | 163.9 | 0 | 0 | 0 | 118.9 | ||||
| 263 | R | 44.9 | Very low | 47.5 | Very low | 252 Ų | 252 | 136 Ų | 136 | 95% | 0.951 | 79% | 0.792 | S | S | * | * | -159.1 | 135.2 | 122.6 | -162.8 | 160.4 | 175 | 164.7 | -3.2 | 111.6 | |||||
| 264 | A | 45.7 | Very low | 47.5 | Very low | 85 Ų | 85 | 136.2 Ų | 136.2 | 70% | 0.702 | 79% | 0.794 | S | S | * | * | trans | -65.4 | 152.6 | -170.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 265 | S | 57.5 | Low | 47.6 | Very low | 120 Ų | 120 | 135.3 Ų | 135.3 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | trans | -167.7 | 129.6 | 137 | -73.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 266 | P | 46 | Very low | 48 | Very low | 117 Ų | 117 | 136.4 Ų | 136.4 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | trans | -95.9 | 175 | 178.8 | 37.6 | -30.8 | 0 | 0 | 0 | 112.1 | ||||
| 267 | L | 49.7 | Very low | 47.8 | Very low | 182 Ų | 182 | 136.2 Ų | 136.2 | 95% | 0.953 | 80% | 0.799 | S | S | * | * | trans | 92.8 | 115.3 | 179.4 | -53 | 159.5 | 0 | 0 | 0 | 112.4 | ||||
| 268 | G | 47.2 | Very low | 47.8 | Very low | 73 Ų | 73 | 139 Ų | 139 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | cis | 176.1 | 168.3 | 5.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 269 | A | 52.7 | Low | 47.5 | Very low | 107 Ų | 107 | 136.5 Ų | 136.5 | 88% | 0.884 | 80% | 0.801 | S | S | * | * | trans | 77.4 | 96.1 | 167 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 270 | S | 42.4 | Very low | 47.3 | Very low | 109 Ų | 109 | 137 Ų | 137 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | trans | -67.1 | 162.5 | 148.9 | -49.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 271 | I | 51.9 | Low | 46.7 | Very low | 145 Ų | 145 | 136.8 Ų | 136.8 | 74% | 0.744 | 81% | 0.807 | S | S | * | * | 170.9 | 124.2 | 99.8 | -84.4 | 173.3 | 0 | 0 | 0 | 110 | |||||
| 272 | I | 47.2 | Very low | 46.5 | Very low | 148 Ų | 148 | 137.3 Ų | 137.3 | 76% | 0.759 | 81% | 0.814 | S | S | * | * | trans | 67.8 | 109.7 | 136.8 | -56.8 | 178.2 | 0 | 0 | 0 | 119.4 | ||||
| 273 | L | 45.9 | Very low | 46.9 | Very low | 159 Ų | 159 | 133.4 Ų | 133.4 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | 59.2 | 105.1 | 78.6 | -149 | 86.6 | 0 | 0 | 0 | 114.2 | |||||
| 274 | S | 49.9 | Very low | 46.9 | Very low | 99 Ų | 99 | 126.4 Ų | 126.4 | 69% | 0.692 | 79% | 0.793 | S | S | * | * | 168 | 158.5 | 88.8 | -61.6 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 275 | P | 47.9 | Very low | 46.6 | Very low | 119 Ų | 119 | 131.2 Ų | 131.2 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | trans | -110.3 | 146.3 | -177.6 | 37.6 | -26.6 | 0 | 0 | 0 | 114 | ||||
| 276 | T | 47.7 | Very low | 45.7 | Very low | 145 Ų | 145 | 129.1 Ų | 129.1 | 89% | 0.89 | 80% | 0.799 | S | S | * | * | trans | -150.1 | 141.4 | 162.6 | -41.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 277 | R | 41.7 | Very low | 45.4 | Very low | 228 Ų | 228 | 132.4 Ų | 132.4 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | -58.5 | 161 | 179.3 | -56.9 | 173.5 | -176.6 | -165.2 | -0.5 | 114.3 | ||||
| 278 | I | 43.9 | Very low | 44.8 | Very low | 171 Ų | 171 | 132.1 Ų | 132.1 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | -172.4 | 140 | 121.5 | -90.9 | 149.3 | 0 | 0 | 0 | 110.6 | |||||
| 279 | S | 41.1 | Very low | 44.3 | Very low | 96 Ų | 96 | 133.1 Ų | 133.1 | 67% | 0.671 | 80% | 0.803 | S | S | * | * | trans | -65.2 | 157 | 179 | -51.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 280 | T | 43.1 | Very low | 43.7 | Very low | 140 Ų | 140 | 133 Ų | 133 | 86% | 0.859 | 80% | 0.796 | S | S | * | * | 161.9 | 134.3 | 108.1 | 42.1 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 281 | A | 42.7 | Very low | 43.3 | Very low | 91 Ų | 91 | 133.7 Ų | 133.7 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | trans | 20.5 | 126.4 | 149 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 282 | S | 44.5 | Very low | 42.6 | Very low | 126 Ų | 126 | 131.6 Ų | 131.6 | 88% | 0.881 | 79% | 0.793 | S | S | * | * | 160.1 | 143.2 | 105.2 | 52.2 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 283 | A | 50.8 | Low | 42.4 | Very low | 89 Ų | 89 | 129.4 Ų | 129.4 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | trans | -98.6 | -169.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 284 | P | 44.8 | Very low | 42.2 | Very low | 105 Ų | 105 | 129.3 Ų | 129.3 | 68% | 0.682 | 79% | 0.791 | S | S | * | * | cis | -128.6 | 175.8 | -48.3 | 24.1 | -3.2 | 0 | 0 | 0 | 111.9 | ||||
| 285 | H | 39.2 | Very low | 41.6 | Very low | 187 Ų | 187 | 132.4 Ų | 132.4 | 87% | 0.866 | 80% | 0.798 | S | S | * | * | trans | 134.4 | 132.8 | 147.5 | -79.8 | 47 | 0 | 0 | 0 | 113.1 | ||||
| 286 | G | 40.4 | Very low | 40.7 | Very low | 76 Ų | 76 | 130.4 Ų | 130.4 | 78% | 0.784 | 80% | 0.799 | S | S | * | * | trans | 127.7 | 85.6 | 160.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 287 | Q | 39 | Very low | 40.1 | Very low | 185 Ų | 185 | 127.5 Ų | 127.5 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | trans | 6.3 | 132.4 | 149.8 | -58.2 | -178.9 | -12 | 0 | 0 | 119.5 | ||||
| 288 | L | 37 | Very low | 39.7 | Very low | 176 Ų | 176 | 122.6 Ų | 122.6 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | -175.9 | 146.8 | 113.3 | -94.2 | 164.3 | 0 | 0 | 0 | 112.6 | |||||
| 289 | A | 35.8 | Very low | 39.6 | Very low | 94 Ų | 94 | 118.6 Ų | 118.6 | 78% | 0.777 | 79% | 0.791 | S | S | * | * | trans | -39.8 | 149.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 290 | S | 40.5 | Very low | 39.7 | Very low | 105 Ų | 105 | 120.1 Ų | 120.1 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | -176.2 | 120.5 | 112.9 | -158.8 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 291 | V | 35.4 | Very low | 39.4 | Very low | 124 Ų | 124 | 121.2 Ų | 121.2 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | trans | 27.2 | 128 | 145.5 | -49.4 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 292 | S | 37.3 | Very low | 39.5 | Very low | 100 Ų | 100 | 125.4 Ų | 125.4 | 70% | 0.699 | 80% | 0.803 | S | S | * | * | 161.9 | 115.9 | 112.7 | -74.1 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 293 | S | 41.7 | Very low | 39.3 | Very low | 103 Ų | 103 | 123.2 Ų | 123.2 | 72% | 0.72 | 79% | 0.788 | S | S | * | * | trans | 48.8 | 145.1 | 135.1 | 48.6 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 294 | L | 42.2 | Very low | 39.1 | Very low | 156 Ų | 156 | 123.5 Ų | 123.5 | 82% | 0.817 | 79% | 0.79 | S | S | * | * | cis | -176.5 | 163.8 | 0.8 | -112.4 | 156.7 | 0 | 0 | 0 | 105.7 | ||||
| 295 | I | 36.9 | Very low | 39 | Very low | 164 Ų | 164 | 122 Ų | 122 | 84% | 0.841 | 79% | 0.787 | S | S | * | * | trans | 86.3 | 88.9 | 167.9 | -56.1 | 152.6 | 0 | 0 | 0 | 115.9 | ||||
| 296 | G | 29.5 | Very low | 39.3 | Very low | 78 Ų | 78 | 116.6 Ų | 116.6 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | -93 | 167.7 | 152.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 297 | G | 34.5 | Very low | 39.6 | Very low | 84 Ų | 84 | 116.4 Ų | 116.4 | 87% | 0.866 | 77% | 0.766 | S | S | * | * | trans | 178.2 | 83.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 298 | S | 34.1 | Very low | 40 | Very low | 125 Ų | 125 | 111 Ų | 111 | 87% | 0.874 | 75% | 0.753 | S | S | * | * | trans | -89.3 | 135.5 | 160.7 | 59.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 299 | A | 40.9 | Very low | 40.5 | Very low | 86 Ų | 86 | 105.8 Ų | 105.8 | 71% | 0.711 | 74% | 0.735 | S | S | * | * | trans | -152.5 | 94.3 | 165.6 | 0 | 0 | 0 | 0 | 0 | 106 | ||||
| 300 | T | 43.7 | Very low | 41.2 | Very low | 129 Ų | 129 | 104.3 Ų | 104.3 | 79% | 0.791 | 72% | 0.723 | S | S | * | * | 76.1 | 116 | 101.1 | 51.6 | 0 | 0 | 0 | 0 | 114 | |||||
| 301 | D | 36.4 | Very low | 41.8 | Very low | 162 Ų | 162 | 102.3 Ų | 102.3 | 87% | 0.866 | 71% | 0.713 | S | S | * | * | trans | -50.7 | 128.2 | 164.1 | -70.6 | -60.9 | 0 | 0 | 0 | 111.6 | ||||
| 302 | M | 45.3 | Very low | 42.6 | Very low | 179 Ų | 179 | 98.5 Ų | 98.5 | 88% | 0.882 | 70% | 0.699 | S | S | * | * | trans | -136.2 | 98.2 | 164.2 | -89.9 | -74.5 | 156.6 | 0 | 0 | 109.4 | ||||
| 303 | S | 40.9 | Very low | 43.3 | Very low | 80 Ų | 80 | 100.2 Ų | 100.2 | 56% | 0.559 | 70% | 0.699 | S | S | * | * | trans | 35.8 | 106.7 | 149.4 | -169.2 | 0 | 0 | 0 | 0 | 119.4 | A305 A306 | S303-A305 PolarHBondContact O-N 3.28Å; S303-A305 PolarHBondContact OG-N 3.07Å; S303-A306 PolarHBondContact O-N 3.3Å | ||
| 304 | A | 44.9 | Very low | 43.9 | Very low | 95 Ų | 95 | 100.3 Ų | 100.3 | 79% | 0.785 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59 | -10.8 | 166.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 305 | A | 43.9 | Very low | 44.5 | Very low | 74 Ų | 74 | 100.7 Ų | 100.7 | 61% | 0.612 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -76.5 | -28.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | S303 A307 | S303-A305 PolarHBondContact O-N 3.28Å; S303-A305 PolarHBondContact OG-N 3.07Å; A305-A307 PolarHBondContact O-N 3.04Å |
| 306 | A | 44.7 | Very low | 45.4 | Very low | 74 Ų | 74 | 101.1 Ų | 101.1 | 61% | 0.612 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -75.3 | -24.1 | -179 | 0 | 0 | 0 | 0 | 0 | 113.2 | S303 A308 | S303-A306 PolarHBondContact O-N 3.3Å; A306-A308 VanDerWaalsContact C-N 3.34Å; A306-A308 PolarHBondContact O-N 2.83Å |
| 307 | A | 46.5 | Very low | 46.3 | Very low | 72 Ų | 72 | 105.3 Ų | 105.3 | 60% | 0.595 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -71.7 | -26.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | A305 | A305-A307 PolarHBondContact O-N 3.04Å |
| 308 | A | 47.1 | Very low | 47.5 | Very low | 71 Ų | 71 | 104.4 Ų | 104.4 | 59% | 0.587 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -73.3 | -35.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | A306 A311 G312 | A306-A308 VanDerWaalsContact C-N 3.34Å; A306-A308 PolarHBondContact O-N 2.83Å; A308-A311 PolarHBondContact O-N 2.75Å; A308-G312 PolarHBondContact O-N 2.81Å |
| 309 | A | 48.6 | Very low | 48.6 | Very low | 67 Ų | 67 | 107.2 Ų | 107.2 | 55% | 0.554 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -69.3 | -34.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | G312 L313 | A309-G312 PolarHBondContact O-N 2.82Å; A309-L313 PolarHBondContact O-N 3.29Å |
| 310 | A | 50.1 | Low | 49.2 | Very low | 62 Ų | 62 | 106.8 Ų | 106.8 | 51% | 0.512 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -71 | -29.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 311 | A | 52.9 | Low | 49.8 | Very low | 64 Ų | 64 | 108.6 Ų | 108.6 | 53% | 0.529 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -72.7 | -35.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A308 L314 Y315 | A308-A311 PolarHBondContact O-N 2.75Å; A311-L314 PolarHBondContact O-N 2.95Å; A311-Y315 PolarHBondContact O-N 3.11Å |
| 312 | G | 52 | Low | 50.5 | Low | 44 Ų | 44 | 107 Ų | 107 | 45% | 0.454 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -66.1 | -38.4 | -180 | 0 | 0 | 0 | 0 | 0 | 114.2 | A308 A309 | A308-G312 PolarHBondContact O-N 2.81Å; A309-G312 PolarHBondContact O-N 2.82Å |
| 313 | L | 52.3 | Low | 50.2 | Low | 135 Ų | 135 | 109.5 Ų | 109.5 | 71% | 0.707 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -71.9 | -31.9 | 176.8 | -91.3 | 115 | 0 | 0 | 0 | 112.9 | A309 K316 Y317 | A309-L313 PolarHBondContact O-N 3.29Å; L313-K316 PolarHBondContact O-N 2.91Å; L313-Y317 PolarHBondContact O-N 2.82Å |
| 314 | L | 53.8 | Low | 50.2 | Low | 105 Ų | 105 | 111 Ų | 111 | 55% | 0.55 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -69.4 | -35.5 | 180 | -136.5 | 106.7 | 0 | 0 | 0 | 112.1 | A311 Y317 V318 | A311-L314 PolarHBondContact O-N 2.95Å; L314-Y317 PolarHBondContact O-N 3.41Å; L314-V318 WeakPolarHBondContact O-CG2 3.28Å; L314-V318 PolarHBondContact O-N 3.33Å |
| 315 | Y | 55.3 | Low | 49.9 | Very low | 165 Ų | 165 | 111.8 Ų | 111.8 | 65% | 0.647 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -67.7 | -35.4 | 177.8 | -166.6 | -97.5 | 0 | 0 | 0 | 112.4 | A311 R319 | A311-Y315 PolarHBondContact O-N 3.11Å; Y315-R319 WeakPolarHBondContact O-CB 3.47Å; Y315-R319 PolarHBondContact O-N 2.79Å; Y315-R319 VanDerWaalsContact O-N 3.17Å |
| 316 | K | 55.7 | Low | 50.1 | Low | 173 Ų | 173 | 114.7 Ų | 114.7 | 75% | 0.752 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -68.1 | -38.8 | 173.1 | -80.2 | -173.2 | 176 | -178.3 | 0 | 112.2 | L313 S320 | L313-K316 PolarHBondContact O-N 2.91Å; K316-S320 PolarHBondContact O-N 2.92Å |
| 317 | Y | 49.9 | Very low | 50 | Low | 165 Ų | 165 | 118 Ų | 118 | 65% | 0.647 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -69.5 | -42.2 | 179.5 | -151.4 | -95.2 | 0 | 0 | 0 | 112.2 | L313 L314 R319 S320 | L313-Y317 PolarHBondContact O-N 2.82Å; L314-Y317 PolarHBondContact O-N 3.41Å; Y317-R319 PolarHBondContact O-N 3.36Å; Y317-S320 PolarHBondContact O-N 3.11Å; Y317-S320 PolarHBondContact O-OG 3.27Å |
| 318 | V | 58.9 | Low | 49.5 | Very low | 65 Ų | 65 | 124.1 Ų | 124.1 | 39% | 0.394 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -68 | -35.4 | 178.2 | 175.8 | 0 | 0 | 0 | 0 | 112.1 | L314 S320 F321 L322 | L314-V318 WeakPolarHBondContact O-CG2 3.28Å; L314-V318 PolarHBondContact O-N 3.33Å; V318-S320 VanDerWaalsContact C-N 3.25Å; V318-S320 PolarHBondContact O-N 3.04Å; V318-F321 PolarHBondContact O-N 3.43Å; V318-L322 HydrophobicContact CG1-CD1 3.74Å; V318-L322 PolarHBondContact O-N 2.9Å |
| 319 | R | 56.9 | Low | 49.1 | Very low | 184 Ų | 184 | 125.5 Ų | 125.5 | 69% | 0.694 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -69 | -23.2 | 176.4 | -161.8 | 173 | -173.5 | 170.3 | 2.3 | 113.2 | Y315 Y317 | Y315-R319 WeakPolarHBondContact O-CB 3.47Å; Y315-R319 PolarHBondContact O-N 2.79Å; Y315-R319 VanDerWaalsContact O-N 3.17Å; Y317-R319 PolarHBondContact O-N 3.36Å |
| 320 | S | 53.3 | Low | 48.6 | Very low | 77 Ų | 77 | 127.1 Ų | 127.1 | 54% | 0.538 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -77.3 | -22.2 | 175.4 | 70.1 | 0 | 0 | 0 | 0 | 113.8 | K316 Y317 V318 | K316-S320 PolarHBondContact O-N 2.92Å; Y317-S320 PolarHBondContact O-N 3.11Å; Y317-S320 PolarHBondContact O-OG 3.27Å; V318-S320 VanDerWaalsContact C-N 3.25Å; V318-S320 PolarHBondContact O-N 3.04Å |
| 321 | F | 57.2 | Low | 48.3 | Very low | 168 Ų | 168 | 134 Ų | 134 | 74% | 0.737 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -95.8 | -13.7 | -179.1 | -114.1 | -93.7 | 0 | 0 | 0 | 114.4 | V318 | V318-F321 PolarHBondContact O-N 3.43Å |
| 322 | L | 50 | Low | 48.1 | Very low | 128 Ų | 128 | 136.1 Ų | 136.1 | 67% | 0.67 | 71% | 0.71 | S | S | * | * | trans | -102.3 | 63.9 | 175.9 | -79 | 146.3 | 0 | 0 | 0 | 110.6 | V318 | V318-L322 HydrophobicContact CG1-CD1 3.74Å; V318-L322 PolarHBondContact O-N 2.9Å | ||
| 323 | R | 38.5 | Very low | 47.5 | Very low | 232 Ų | 232 | 141.1 Ų | 141.1 | 88% | 0.875 | 73% | 0.727 | S | S | * | * | trans | -106.4 | 99.1 | 156 | -84.3 | -168.9 | -174.9 | -162.9 | 2.4 | 108.5 | S325 | R323-S325 PolarHBondContact O-N 3.2Š| ||
| 324 | P | 41.4 | Very low | 47.3 | Very low | 111 Ų | 111 | 139 Ų | 139 | 72% | 0.721 | 72% | 0.721 | S | S | * | * | trans | -75.3 | 121.4 | 161.3 | 26.4 | -22.7 | 0 | 0 | 0 | 108.7 | V326 | P324-V326 PolarHBondContact O-N 2.91Š| ||
| 325 | S | 39.1 | Very low | 46.8 | Very low | 112 Ų | 112 | 144.7 Ų | 144.7 | 78% | 0.783 | 74% | 0.735 | S | S | * | * | trans | -63.1 | 114.2 | 165.9 | -177.4 | 0 | 0 | 0 | 0 | 108.8 | R323 | R323-S325 PolarHBondContact O-N 3.2Š| ||
| 326 | V | 47.8 | Very low | 46.4 | Very low | 134 Ų | 134 | 146.3 Ų | 146.3 | 81% | 0.812 | 75% | 0.745 | S | S | * | * | trans | -125.9 | 122.1 | 164.2 | -172.5 | 0 | 0 | 0 | 0 | 107.9 | P324 | P324-V326 PolarHBondContact O-N 2.91Š| ||
| 327 | N | 42 | Very low | 45.8 | Very low | 145 Ų | 145 | 146.9 Ų | 146.9 | 78% | 0.775 | 75% | 0.75 | S | S | * | * | trans | -62.1 | 154.2 | -175.7 | -73.7 | -43.1 | 0 | 0 | 0 | 113 | ||||
| 328 | Q | 36.1 | Very low | 46 | Very low | 200 Ų | 200 | 146.3 Ų | 146.3 | 94% | 0.935 | 76% | 0.757 | S | S | * | * | trans | -40.9 | 127.7 | 170.3 | -79.8 | 157.5 | -7.6 | 0 | 0 | 114 | ||||
| 329 | A | 39.4 | Very low | 45.5 | Very low | 99 Ų | 99 | 157.6 Ų | 157.6 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -136.8 | 117.5 | 146.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 330 | A | 39.1 | Very low | 45 | Very low | 102 Ų | 102 | 156.3 Ų | 156.3 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | trans | -63.8 | 130.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 331 | F | 42 | Very low | 44.5 | Very low | 205 Ų | 205 | 160.4 Ų | 160.4 | 90% | 0.899 | 81% | 0.813 | S | S | * | * | trans | -125.8 | 121.1 | 155.9 | -164.3 | -97.6 | 0 | 0 | 0 | 108.8 | ||||
| 332 | V | 48.7 | Very low | 43.8 | Very low | 110 Ų | 110 | 160 Ų | 160 | 67% | 0.667 | 82% | 0.817 | S | S | * | * | trans | -71.7 | 130.2 | -172.5 | 173 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 333 | N | 40.2 | Very low | 43.4 | Very low | 149 Ų | 149 | 161.9 Ų | 161.9 | 80% | 0.797 | 83% | 0.826 | S | S | * | * | trans | -91.7 | 125.9 | 166.9 | -176.3 | -3.9 | 0 | 0 | 0 | 108.8 | ||||
| 334 | P | 48.8 | Very low | 43.7 | Very low | 89 Ų | 89 | 157.5 Ų | 157.5 | 58% | 0.578 | 82% | 0.823 | S | S | * | * | trans | -120 | 124 | 164.2 | 33.5 | -18.1 | 0 | 0 | 0 | 111.9 | ||||
| 335 | R | 43.7 | Very low | 43.9 | Very low | 226 Ų | 226 | 160.6 Ų | 160.6 | 85% | 0.853 | 83% | 0.83 | S | S | * | * | trans | 74.2 | 134.4 | 148.7 | -53 | 173.5 | 173.7 | -172.2 | -2.8 | 114.3 | ||||
| 336 | K | 45.6 | Very low | 44.2 | Very low | 198 Ų | 198 | 164.1 Ų | 164.1 | 86% | 0.861 | 83% | 0.833 | S | S | * | * | cis | -154.3 | 125.8 | 34.7 | -69.1 | 174.3 | 178.7 | 178.7 | 0 | 109.2 | ||||
| 337 | H | 43.6 | Very low | 44 | Very low | 186 Ų | 186 | 166.4 Ų | 166.4 | 86% | 0.861 | 84% | 0.835 | S | S | * | * | trans | -85.8 | 142.8 | 139.5 | -105.3 | -89.3 | 0 | 0 | 0 | 106.4 | ||||
| 338 | I | 54 | Low | 44.1 | Very low | 152 Ų | 152 | 168.2 Ų | 168.2 | 78% | 0.779 | 84% | 0.84 | S | S | * | * | trans | 169 | 115.9 | 142.9 | -84 | 154.2 | 0 | 0 | 0 | 106.4 | ||||
| 339 | Y | 48.8 | Very low | 44.9 | Very low | 302 Ų | 302 | 165.3 Ų | 165.3 | 100% | 1.184 | 83% | 0.831 | S | S | * | * | trans | 65.6 | 0 | 174 | -74.7 | -75.7 | 0 | 0 | 0 | 120.1 |
Retrieved 339 of 339 residues in 120 ms
(Link to these results)