| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.4 | Very low | 37.6 | Very low | 239 Ų | 239 | 181.7 Ų | 181.7 | 100% | 1.177 | 89% | 0.886 | S | S | * | * | 0 | 102.3 | 0 | -61.7 | 159.6 | 97.8 | 0 | 0 | 106 | |||||
| 2 | D | 41.6 | Very low | 37.1 | Very low | 159 Ų | 159 | 176.3 Ų | 176.3 | 85% | 0.85 | 88% | 0.878 | S | S | * | * | cis | -146.1 | 133.3 | 3.1 | -117.2 | -36.6 | 0 | 0 | 0 | 108 | ||||
| 3 | R | 40.3 | Very low | 36.9 | Very low | 250 Ų | 250 | 173.8 Ų | 173.8 | 94% | 0.943 | 88% | 0.877 | S | S | * | * | trans | -118.6 | 44.5 | -165.3 | -148.5 | -176.9 | -159.2 | -171 | 5.5 | 111 | ||||
| 4 | R | 42.4 | Very low | 36.6 | Very low | 235 Ų | 235 | 172.4 Ų | 172.4 | 89% | 0.887 | 87% | 0.872 | S | S | * | * | trans | -145.4 | 76.1 | -175.8 | -76.7 | -173.9 | 176.5 | -176.8 | -0.8 | 111.8 | ||||
| 5 | M | 41.7 | Very low | 36.5 | Very low | 184 Ų | 184 | 167.9 Ų | 167.9 | 91% | 0.906 | 86% | 0.863 | S | S | * | * | trans | -160.7 | 44.6 | 161.2 | -123.1 | 167.2 | 71.6 | 0 | 0 | 111.4 | ||||
| 6 | W | 36 | Very low | 36.4 | Very low | 270 Ų | 270 | 164.9 Ų | 164.9 | 100% | 1.023 | 86% | 0.857 | S | S | * | * | S | Bend | trans | -128.3 | 80.9 | 170 | -92 | 56.2 | 0 | 0 | 0 | 106.4 | ||
| 7 | G | 34.6 | Very low | 36 | Very low | 78 Ų | 78 | 164.5 Ų | 164.5 | 80% | 0.804 | 86% | 0.856 | S | S | * | * | S | Bend | trans | -177.7 | 14.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 8 | A | 34.6 | Very low | 36.1 | Very low | 80 Ų | 80 | 161.2 Ų | 161.2 | 66% | 0.661 | 85% | 0.846 | S | S | * | * | S | Bend | trans | -133.8 | 3.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 9 | H | 32.5 | Very low | 35.9 | Very low | 193 Ų | 193 | 159.9 Ų | 159.9 | 89% | 0.894 | 85% | 0.846 | S | S | * | * | S | Bend | trans | -116.4 | 11.3 | 179.9 | -80.7 | -64.1 | 0 | 0 | 0 | 115.3 | ||
| 10 | V | 37.7 | Very low | 36 | Very low | 138 Ų | 138 | 156 Ų | 156 | 84% | 0.836 | 83% | 0.828 | S | S | * | * | S | Bend | trans | -113.1 | 5.6 | 178.3 | -177.9 | 0 | 0 | 0 | 0 | 112.1 | ||
| 11 | F | 32.5 | Very low | 35.8 | Very low | 173 Ų | 173 | 156.1 Ų | 156.1 | 76% | 0.759 | 83% | 0.828 | S | S | * | * | S | Bend | trans | -116.8 | 18.9 | -172 | -116.4 | -86.7 | 0 | 0 | 0 | 115.8 | ||
| 12 | C | 30.9 | Very low | 35.5 | Very low | 117 Ų | 117 | 146.4 Ų | 146.4 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | trans | -115.9 | 28 | 178 | -76.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 13 | V | 34.6 | Very low | 35.3 | Very low | 144 Ų | 144 | 145 Ų | 145 | 87% | 0.873 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -117 | 28 | 171.6 | -164.8 | 0 | 0 | 0 | 0 | 111.4 | ||
| 14 | L | 32.9 | Very low | 35.6 | Very low | 153 Ų | 153 | 135.6 Ų | 135.6 | 80% | 0.801 | 75% | 0.745 | S | S | * | * | trans | -122.7 | 71.1 | 167.6 | -78.2 | 160.9 | 0 | 0 | 0 | 107 | ||||
| 15 | S | 34.7 | Very low | 35.9 | Very low | 105 Ų | 105 | 127.1 Ų | 127.1 | 73% | 0.734 | 72% | 0.715 | S | S | * | * | trans | -106.8 | 137.5 | 162.1 | -73.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 16 | P | 34.5 | Very low | 36.4 | Very low | 120 Ų | 120 | 121.3 Ų | 121.3 | 78% | 0.779 | 69% | 0.691 | S | S | * | * | trans | -66.8 | 142.1 | -169.6 | 30.7 | -33.7 | 0 | 0 | 0 | 109.5 | ||||
| 17 | L | 30.7 | Very low | 37.4 | Very low | 158 Ų | 158 | 113.1 Ų | 113.1 | 83% | 0.827 | 66% | 0.664 | S | S | * | * | trans | -33.3 | 118.5 | 166.4 | -113.3 | 72 | 0 | 0 | 0 | 110.5 | T19 | L17-T19 PolarHBondContact O-N 2.76Š| ||
| 18 | P | 36.7 | Very low | 38.7 | Very low | 105 Ų | 105 | 109.4 Ų | 109.4 | 68% | 0.682 | 63% | 0.626 | S | S | * | * | trans | -68.3 | 123.2 | 151.9 | 5 | 11.4 | 0 | 0 | 0 | 105.5 | V20 | P18-V20 VanDerWaalsContact C-N 3.26Å; P18-V20 PolarHBondContact O-N 3.48Å | ||
| 19 | T | 33.1 | Very low | 40.1 | Very low | 138 Ų | 138 | 110.1 Ų | 110.1 | 85% | 0.847 | 62% | 0.619 | S | S | * | * | trans | -61.6 | 92.2 | 168.4 | -27.3 | 0 | 0 | 0 | 0 | 107.1 | L17 L21 | L17-T19 PolarHBondContact O-N 2.76Å; T19-L21 PolarHBondContact O-N 3.06Å | ||
| 20 | V | 37.6 | Very low | 42 | Very low | 81 Ų | 81 | 104.5 Ų | 104.5 | 49% | 0.491 | 59% | 0.592 | S | S | . | * | trans | -75.6 | 105.7 | 177.9 | 177.4 | 0 | 0 | 0 | 0 | 107.3 | P18 G22 | P18-V20 VanDerWaalsContact C-N 3.26Å; P18-V20 PolarHBondContact O-N 3.48Å; V20-G22 PolarHBondContact O-N 3.42Å; V20-G22 VanDerWaalsContact O-N 3.08Å | ||
| 21 | L | 32 | Very low | 43.7 | Very low | 158 Ų | 158 | 100.9 Ų | 100.9 | 83% | 0.827 | 57% | 0.568 | S | S | * | * | trans | -64.2 | 101.9 | 164 | -131.8 | 87.9 | 0 | 0 | 0 | 106.4 | T19 H23 | T19-L21 PolarHBondContact O-N 3.06Å; L21-H23 PolarHBondContact O-N 3.35Å | ||
| 22 | G | 34.9 | Very low | 45.8 | Very low | 36 Ų | 36 | 94.4 Ų | 94.4 | 37% | 0.371 | 54% | 0.542 | S | S | . | . | P | Polyproline II helix | trans | -74.6 | 117.7 | 179 | 0 | 0 | 0 | 0 | 0 | 110.3 | V20 | V20-G22 PolarHBondContact O-N 3.42Å; V20-G22 VanDerWaalsContact O-N 3.08Å |
| 23 | H | 37.5 | Very low | 48.1 | Very low | 130 Ų | 130 | 93.2 Ų | 93.2 | 60% | 0.602 | 53% | 0.525 | S | S | * | . | P | Polyproline II helix | trans | -75.7 | 149.9 | 157.2 | -88.8 | -5.2 | 0 | 0 | 0 | 110.1 | L21 I270 | L21-H23 PolarHBondContact O-N 3.35Å; H23-I270 CarbonylContact C-O 3.59Å; H23-I270 HydrophobicContact CB-CG2 4.25Å |
| 24 | M | 44.9 | Very low | 50.4 | Low | 52 Ų | 52 | 88.5 Ų | 88.5 | 26% | 0.256 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -92.5 | 167.4 | -154.5 | -50.7 | 179.7 | 82.9 | 0 | 0 | 111.3 | C28 T32 C195 | M24-C28 HydrophobicContact CB-CB 3.36Å; M24-C28 HydrophobicContact CE-CB 4.14Å; M24-C28 HydrophobicContact CG-CB 4.38Å; M24-C28 HydrophobicContact SD-CB 4.34Å; M24-T32 PolarHBondContact SD-OG1 3.26Å; M24-C195 HydrophobicContact CE-CB 3.3Å; M24-C195 WeakPolarHBondContact CE-O 3.15Å |
| 25 | H | 49.8 | Very low | 52.8 | Low | 56 Ų | 56 | 88.5 Ų | 88.5 | 26% | 0.259 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -56.6 | 153 | 175.4 | -161.9 | -106.4 | 0 | 0 | 0 | 110.7 | E27 C28 D29 | H25-E27 IonicContact ND1-OE2 3.62Å; H25-E27 PolarHBondContact O-N 3.03Å; H25-E27 VanDerWaalsContact O-N 3.14Å; H25-C28 HydrophobicContact CB-CB 4.23Å; H25-C28 CarbonylContact O-C 3.36Å; H25-C28 WeakPolarHBondContact O-CA 3.09Å; H25-C28 WeakPolarHBondContact O-CB 3.49Å; H25-C28 PolarHBondContact O-N 3.1Å; H25-D29 PolarHBondContact O-N 3.44Å |
| 26 | P | 52.7 | Low | 55.3 | Low | 62 Ų | 62 | 88.6 Ų | 88.6 | 40% | 0.403 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59.4 | -27.1 | 176.3 | 21.6 | -33.3 | 0 | 0 | 0 | 113.2 | C28 D29 F30 L275 | P26-C28 VanDerWaalsContact C-N 3.25Å; P26-C28 PolarHBondContact O-N 3.43Å; P26-D29 WeakPolarHBondContact O-CB 3.4Å; P26-D29 PolarHBondContact O-N 2.78Å; P26-F30 PolarHBondContact O-N 2.87Å; P26-L275 HydrophobicContact CG-CD1 3.71Å |
| 27 | E | 56.2 | Low | 57.8 | Low | 98 Ų | 98 | 85.7 Ų | 85.7 | 46% | 0.458 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -67.5 | -30.3 | 168.6 | -65.7 | -169.5 | 154.9 | 0 | 0 | 112.8 | H25 F30 I31 | H25-E27 IonicContact ND1-OE2 3.62Å; H25-E27 PolarHBondContact O-N 3.03Å; H25-E27 VanDerWaalsContact O-N 3.14Å; E27-F30 VanDerWaalsContact C-CE1 3.5Å; E27-F30 VanDerWaalsContact CA-CD1 3.4Å; E27-F30 HydrophobicContact CB-CD1 4.22Å; E27-F30 HydrophobicContact CB-CE1 3.53Å; E27-F30 HydrophobicContact CB-CZ 4.27Å; E27-F30 HydrophobicContact CG-CE1 3.93Å; E27-F30 WeakPolarHBondContact O-CD1 3.26Å; E27-F30 WeakPolarHBondContact O-CE1 3.31Å; E27-F30 WeakPolarHBondContact O-CG 3.49Å; E27-F30 WeakPolarHBondContact O-CZ 3.42Å; E27-I31 VanDerWaalsContact O-CG1 3.31Å; E27-I31 WeakPolarHBondContact O-CG1 2.95Å; E27-I31 PolarHBondContact O-N 3.41Å |
| 28 | C | 62.1 | Low | 60.6 | Low | 0 Ų | 0 | 81.9 Ų | 81.9 | 0% | 0 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -80.1 | -21.5 | 172.7 | -59.4 | 0 | 0 | 0 | 0 | 112.5 | M24 H25 P26 I31 T32 C195 | M24-C28 HydrophobicContact CB-CB 3.36Å; M24-C28 HydrophobicContact CE-CB 4.14Å; M24-C28 HydrophobicContact CG-CB 4.38Å; M24-C28 HydrophobicContact SD-CB 4.34Å; H25-C28 HydrophobicContact CB-CB 4.23Å; H25-C28 CarbonylContact O-C 3.36Å; H25-C28 WeakPolarHBondContact O-CA 3.09Å; H25-C28 WeakPolarHBondContact O-CB 3.49Å; H25-C28 PolarHBondContact O-N 3.1Å; P26-C28 VanDerWaalsContact C-N 3.25Å; P26-C28 PolarHBondContact O-N 3.43Å; C28-I31 PolarHBondContact O-N 2.97Å; C28-T32 WeakPolarHBondContact O-CB 3.3Å; C28-T32 PolarHBondContact O-N 3.31Å; C28-T32 PolarHBondContact O-OG1 3.29Å; C28-C195 VanDerWaalsContact CA-SG 3.58Å; C28-C195 HydrophobicContact CB-CB 3.98Å; C28-C195 WeakPolarHBondContact CB-SG 3.39Å; C28-C195 WeakPolarHBondContact SG-CA 3.25Å; C28-C195 WeakPolarHBondContact SG-CB 3.46Å; C28-C195 PolarHBondContact SG-N 3.36Å; C28-C195 CovalentContact SG-SG 2.05Å; C28-C195 PolarHBondContact SG-SG 2.79Å |
| 29 | D | 64.7 | Low | 63.1 | Low | 95 Ų | 95 | 79.5 Ų | 79.5 | 51% | 0.508 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.4 | -45 | 171.9 | -71.3 | -17.7 | 0 | 0 | 0 | 110.1 | H25 P26 T32 Q33 | H25-D29 PolarHBondContact O-N 3.44Å; P26-D29 WeakPolarHBondContact O-CB 3.4Å; P26-D29 PolarHBondContact O-N 2.78Å; D29-T32 PolarHBondContact O-N 2.91Å; D29-Q33 VanDerWaalsContact O-CB 3.32Å; D29-Q33 WeakPolarHBondContact O-CB 3.37Å; D29-Q33 PolarHBondContact O-N 3.35Å |
| 30 | F | 71.4 | Confident | 65.8 | Low | 76 Ų | 76 | 75.5 Ų | 75.5 | 33% | 0.333 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -67.9 | -39.1 | 176 | 78.6 | -108.5 | 0 | 0 | 0 | 112.5 | P26 E27 T32 Q33 L34 F81 | P26-F30 PolarHBondContact O-N 2.87Å; E27-F30 VanDerWaalsContact C-CE1 3.5Å; E27-F30 VanDerWaalsContact CA-CD1 3.4Å; E27-F30 HydrophobicContact CB-CD1 4.22Å; E27-F30 HydrophobicContact CB-CE1 3.53Å; E27-F30 HydrophobicContact CB-CZ 4.27Å; E27-F30 HydrophobicContact CG-CE1 3.93Å; E27-F30 WeakPolarHBondContact O-CD1 3.26Å; E27-F30 WeakPolarHBondContact O-CE1 3.31Å; E27-F30 WeakPolarHBondContact O-CG 3.49Å; E27-F30 WeakPolarHBondContact O-CZ 3.42Å; F30-T32 VanDerWaalsContact C-N 3.31Å; F30-T32 PolarHBondContact O-N 3.36Å; F30-Q33 PolarHBondContact O-N 3.37Å; F30-L34 WeakPolarHBondContact O-CB 3.5Å; F30-L34 PolarHBondContact O-N 3.46Å; F30-F81 HydrophobicContact CB-CB 4.17Å |
| 31 | I | 73.9 | Confident | 68.3 | Low | 62 Ų | 62 | 71.8 Ų | 71.8 | 32% | 0.318 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.6 | -39.4 | 177.3 | -66.1 | 172.8 | 0 | 0 | 0 | 110.3 | E27 C28 L34 R35 | E27-I31 VanDerWaalsContact O-CG1 3.31Å; E27-I31 WeakPolarHBondContact O-CG1 2.95Å; E27-I31 PolarHBondContact O-N 3.41Å; C28-I31 PolarHBondContact O-N 2.97Å; I31-L34 PolarHBondContact O-N 2.97Å; I31-R35 WeakPolarHBondContact O-CB 3.5Å; I31-R35 PolarHBondContact O-N 3.34Å |
| 32 | T | 75.2 | Confident | 71.1 | Confident | 37 Ų | 37 | 68.4 Ų | 68.4 | 23% | 0.227 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -68.1 | -45.7 | 178.4 | -56.9 | 0 | 0 | 0 | 0 | 109.9 | M24 C28 D29 F30 L34 R35 E36 | M24-T32 PolarHBondContact SD-OG1 3.26Å; C28-T32 WeakPolarHBondContact O-CB 3.3Å; C28-T32 PolarHBondContact O-N 3.31Å; C28-T32 PolarHBondContact O-OG1 3.29Å; D29-T32 PolarHBondContact O-N 2.91Å; F30-T32 VanDerWaalsContact C-N 3.31Å; F30-T32 PolarHBondContact O-N 3.36Å; T32-L34 VanDerWaalsContact C-N 3.34Å; T32-L34 PolarHBondContact O-N 3.29Å; T32-R35 PolarHBondContact O-N 3.44Å; T32-E36 HydrophobicContact CG2-CG 4.45Å; T32-E36 WeakPolarHBondContact O-CB 3.49Å; T32-E36 WeakPolarHBondContact O-CG 3.37Å; T32-E36 PolarHBondContact O-N 3.1Å |
| 33 | Q | 79 | Confident | 73.7 | Confident | 92 Ų | 92 | 72.7 Ų | 72.7 | 43% | 0.43 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -56.6 | -47.5 | 173.8 | -174 | 63.4 | 44.8 | 0 | 0 | 111.4 | D29 F30 R35 E36 D37 | D29-Q33 VanDerWaalsContact O-CB 3.32Å; D29-Q33 WeakPolarHBondContact O-CB 3.37Å; D29-Q33 PolarHBondContact O-N 3.35Å; F30-Q33 PolarHBondContact O-N 3.37Å; Q33-R35 VanDerWaalsContact C-N 3.3Å; Q33-R35 PolarHBondContact O-N 3.41Å; Q33-E36 PolarHBondContact O-N 3.36Å; Q33-D37 PolarHBondContact NE2-OD1 3.48Å; Q33-D37 WeakPolarHBondContact O-CB 3.1Å; Q33-D37 PolarHBondContact O-N 2.87Å |
| 34 | L | 83.5 | Confident | 76 | Confident | 45 Ų | 45 | 68.5 Ų | 68.5 | 24% | 0.236 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.2 | -37.2 | 179.8 | -164.5 | 74.2 | 0 | 0 | 0 | 112.2 | F30 I31 T32 E38 W59 F81 | F30-L34 WeakPolarHBondContact O-CB 3.5Å; F30-L34 PolarHBondContact O-N 3.46Å; I31-L34 PolarHBondContact O-N 2.97Å; T32-L34 VanDerWaalsContact C-N 3.34Å; T32-L34 PolarHBondContact O-N 3.29Å; L34-E38 WeakPolarHBondContact O-CB 3.21Å; L34-E38 PolarHBondContact O-N 3.33Å; L34-W59 HydrophobicContact CD1-CH2 4.1Å; L34-W59 HydrophobicContact CD1-CZ2 4.04Å; L34-W59 HydrophobicContact CG-CZ2 4.17Å; L34-F81 HydrophobicContact CD1-CE1 4.03Å |
| 35 | R | 84.4 | Confident | 77.9 | Confident | 152 Ų | 152 | 67.8 Ų | 67.8 | 57% | 0.574 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -71 | -37.8 | 175.7 | -178 | 177.8 | -73.7 | 140.1 | -3 | 112 | I31 T32 Q33 S39 | I31-R35 WeakPolarHBondContact O-CB 3.5Å; I31-R35 PolarHBondContact O-N 3.34Å; T32-R35 PolarHBondContact O-N 3.44Å; Q33-R35 VanDerWaalsContact C-N 3.3Å; Q33-R35 PolarHBondContact O-N 3.41Å; R35-S39 WeakPolarHBondContact O-CB 3.42Å; R35-S39 PolarHBondContact O-N 3.06Å; R35-S39 PolarHBondContact O-OG 2.87Å |
| 36 | E | 86.2 | Confident | 79.4 | Confident | 108 Ų | 108 | 73.2 Ų | 73.2 | 51% | 0.505 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.1 | -46.5 | 173.3 | -75.2 | -179.5 | -179.2 | 0 | 0 | 110.3 | T32 Q33 E38 S39 A40 | T32-E36 HydrophobicContact CG2-CG 4.45Å; T32-E36 WeakPolarHBondContact O-CB 3.49Å; T32-E36 WeakPolarHBondContact O-CG 3.37Å; T32-E36 PolarHBondContact O-N 3.1Å; Q33-E36 PolarHBondContact O-N 3.36Å; E36-E38 PolarHBondContact O-N 3.11Å; E36-S39 PolarHBondContact O-N 2.84Å; E36-S39 PolarHBondContact O-OG 3.46Å; E36-A40 WeakPolarHBondContact O-CB 3.37Å; E36-A40 PolarHBondContact O-N 3.5Å |
| 37 | D | 86.7 | Confident | 80.6 | Confident | 58 Ų | 58 | 78.2 Ų | 78.2 | 31% | 0.31 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.4 | -43.2 | 176.6 | -67.3 | -15 | 0 | 0 | 0 | 111.9 | Q33 A40 C41 W59 | Q33-D37 PolarHBondContact NE2-OD1 3.48Å; Q33-D37 WeakPolarHBondContact O-CB 3.1Å; Q33-D37 PolarHBondContact O-N 2.87Å; D37-A40 PolarHBondContact O-N 3.28Å; D37-C41 WeakPolarHBondContact O-CB 3.31Å; D37-C41 PolarHBondContact O-N 2.84Å; D37-W59 HydrophobicContact CB-CH2 3.92Å; D37-W59 HydrophobicContact CB-CZ3 4.16Å |
| 38 | E | 89.6 | Confident | 81.3 | Confident | 78 Ų | 78 | 78.1 Ų | 78.1 | 36% | 0.364 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -57.9 | -50.2 | 172.4 | 176.2 | 177.6 | -157.3 | 0 | 0 | 110.7 | L34 E36 A40 C41 L42 W59 | L34-E38 WeakPolarHBondContact O-CB 3.21Å; L34-E38 PolarHBondContact O-N 3.33Å; E36-E38 PolarHBondContact O-N 3.11Å; E38-A40 PolarHBondContact O-N 2.99Å; E38-C41 WeakPolarHBondContact O-CB 3.35Å; E38-C41 PolarHBondContact O-N 3.46Å; E38-L42 HydrophobicContact CG-CD1 4.08Å; E38-L42 HydrophobicContact CG-CG 4.48Å; E38-L42 WeakPolarHBondContact O-CG 3.42Å; E38-L42 PolarHBondContact O-N 3.5Å; E38-W59 HydrophobicContact CB-CD2 4.18Å; E38-W59 HydrophobicContact CB-CZ2 3.92Å; E38-W59 HydrophobicContact CG-CD2 4.37Å; E38-W59 HydrophobicContact CG-CG 4.23Å |
| 39 | S | 90.5 | Very high | 81.4 | Confident | 56 Ų | 56 | 83 Ų | 83 | 39% | 0.392 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.7 | -40.4 | -177.8 | 75.4 | 0 | 0 | 0 | 0 | 112.6 | R35 E36 C41 L42 Q43 | R35-S39 WeakPolarHBondContact O-CB 3.42Å; R35-S39 PolarHBondContact O-N 3.06Å; R35-S39 PolarHBondContact O-OG 2.87Å; E36-S39 PolarHBondContact O-N 2.84Å; E36-S39 PolarHBondContact O-OG 3.46Å; S39-C41 VanDerWaalsContact C-N 3.34Å; S39-L42 PolarHBondContact O-N 3.49Å; S39-Q43 WeakPolarHBondContact O-CB 3.42Å; S39-Q43 VanDerWaalsContact O-CG 3.3Å; S39-Q43 WeakPolarHBondContact O-CG 3.42Å; S39-Q43 PolarHBondContact O-N 2.79Å |
| 40 | A | 89.8 | Confident | 81.2 | Confident | 54 Ų | 54 | 86.4 Ų | 86.4 | 45% | 0.446 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -65.5 | -39.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | E36 D37 E38 A44 | E36-A40 WeakPolarHBondContact O-CB 3.37Å; E36-A40 PolarHBondContact O-N 3.5Å; D37-A40 PolarHBondContact O-N 3.28Å; E38-A40 PolarHBondContact O-N 2.99Å; A40-A44 WeakPolarHBondContact O-CB 3.28Å; A40-A44 PolarHBondContact O-N 3.49Å |
| 41 | C | 90.2 | Very high | 80.7 | Confident | 3 Ų | 3 | 88.3 Ų | 88.3 | 2% | 0.02 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -63.9 | -47.2 | 176.7 | -169 | 0 | 0 | 0 | 0 | 112.2 | D37 E38 S39 A44 A45 W59 C64 | D37-C41 WeakPolarHBondContact O-CB 3.31Å; D37-C41 PolarHBondContact O-N 2.84Å; E38-C41 WeakPolarHBondContact O-CB 3.35Å; E38-C41 PolarHBondContact O-N 3.46Å; S39-C41 VanDerWaalsContact C-N 3.34Å; C41-A44 PolarHBondContact O-N 3.35Å; C41-A45 WeakPolarHBondContact O-CB 3.44Å; C41-A45 PolarHBondContact O-N 2.86Å; C41-W59 HydrophobicContact CB-CB 4.49Å; C41-W59 HydrophobicContact CB-CE3 3.9Å; C41-C64 WeakPolarHBondContact CA-SG 3.22Å; C41-C64 HydrophobicContact CB-CB 3.53Å; C41-C64 WeakPolarHBondContact CB-SG 3.47Å; C41-C64 WeakPolarHBondContact SG-CA 3.32Å; C41-C64 WeakPolarHBondContact SG-CB 3.43Å; C41-C64 CovalentContact SG-SG 2.03Å; C41-C64 PolarHBondContact SG-SG 3.25Å |
| 42 | L | 90.2 | Very high | 80 | Confident | 87 Ų | 87 | 91.7 Ų | 91.7 | 46% | 0.455 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.6 | -39.5 | -179.2 | -66.3 | 178.2 | 0 | 0 | 0 | 111.6 | E38 S39 A45 E46 W59 | E38-L42 HydrophobicContact CG-CD1 4.08Å; E38-L42 HydrophobicContact CG-CG 4.48Å; E38-L42 WeakPolarHBondContact O-CG 3.42Å; E38-L42 PolarHBondContact O-N 3.5Å; S39-L42 PolarHBondContact O-N 3.49Å; L42-A45 PolarHBondContact O-N 3.37Å; L42-E46 PolarHBondContact O-N 2.68Å; L42-W59 HydrophobicContact CD2-CB 4.49Å |
| 43 | Q | 89.3 | Confident | 80 | Confident | 125 Ų | 125 | 97.1 Ų | 97.1 | 58% | 0.584 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62 | -46.4 | 173.4 | -73.8 | 176.2 | 6.6 | 0 | 0 | 111.8 | S39 A45 E46 E47 | S39-Q43 WeakPolarHBondContact O-CB 3.42Å; S39-Q43 VanDerWaalsContact O-CG 3.3Å; S39-Q43 WeakPolarHBondContact O-CG 3.42Å; S39-Q43 PolarHBondContact O-N 2.79Å; Q43-A45 VanDerWaalsContact C-N 3.26Å; Q43-A45 PolarHBondContact O-N 3.15Å; Q43-E46 PolarHBondContact O-N 2.96Å; Q43-E47 PolarHBondContact O-N 2.58Å |
| 44 | A | 85.4 | Confident | 80.2 | Confident | 43 Ų | 43 | 94.5 Ų | 94.5 | 36% | 0.355 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.7 | -32.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | A40 C41 | A40-A44 WeakPolarHBondContact O-CB 3.28Å; A40-A44 PolarHBondContact O-N 3.49Å; C41-A44 PolarHBondContact O-N 3.35Å |
| 45 | A | 84.6 | Confident | 80.4 | Confident | 36 Ų | 36 | 92.6 Ų | 92.6 | 30% | 0.298 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -71 | -34 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | C41 L42 Q43 A57 | C41-A45 WeakPolarHBondContact O-CB 3.44Å; C41-A45 PolarHBondContact O-N 2.86Å; L42-A45 PolarHBondContact O-N 3.37Å; Q43-A45 VanDerWaalsContact C-N 3.26Å; Q43-A45 PolarHBondContact O-N 3.15Å; A45-A57 HydrophobicContact CB-CB 4.11Å |
| 46 | E | 82.5 | Confident | 80.6 | Confident | 170 Ų | 170 | 89.6 Ų | 89.6 | 79% | 0.794 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -73 | -33.7 | 176.9 | -76.1 | -174.5 | 168.2 | 0 | 0 | 113.3 | L42 Q43 M48 | L42-E46 PolarHBondContact O-N 2.68Å; Q43-E46 PolarHBondContact O-N 2.96Å; E46-M48 PolarHBondContact O-N 3.47Å |
| 47 | E | 77.8 | Confident | 80.7 | Confident | 168 Ų | 168 | 85.3 Ų | 85.3 | 79% | 0.785 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -72 | -14.3 | -179.9 | -71 | -175.1 | 169 | 0 | 0 | 113.5 | Q43 | Q43-E47 PolarHBondContact O-N 2.58Š|
| 48 | M | 70.5 | Confident | 80.9 | Confident | 95 Ų | 95 | 85 Ų | 85 | 47% | 0.468 | 49% | 0.49 | S | S | . | . | S | Bend | trans | -88.4 | 120.2 | -172.1 | -123.8 | 153.6 | -108.9 | 0 | 0 | 112.1 | E46 N50 T67 | E46-M48 PolarHBondContact O-N 3.47Å; M48-N50 PolarHBondContact O-N 3.34Å; M48-T67 HydrophobicContact CG-CG2 4.5Å; M48-T67 HydrophobicContact SD-CG2 3.59Å; M48-T67 VanDerWaalsContact SD-CG2 3.59Å |
| 49 | P | 63.9 | Low | 80.9 | Confident | 102 Ų | 102 | 83.1 Ų | 83.1 | 66% | 0.662 | 48% | 0.48 | S | S | * | . | trans | -66 | 135.6 | -179.3 | 24.8 | -31.6 | 0 | 0 | 0 | 110.8 | T51 | P49-T51 VanDerWaalsContact C-N 3.31Å; P49-T51 PolarHBondContact O-N 2.96Å; P49-T51 PolarHBondContact O-OG1 3.06Å | ||
| 50 | N | 60.9 | Low | 80.8 | Confident | 167 Ų | 167 | 82.7 Ų | 82.7 | 89% | 0.893 | 47% | 0.473 | S | S | * | . | trans | -49.3 | 87 | 177.8 | -84.6 | -20.1 | 0 | 0 | 0 | 112.1 | M48 | M48-N50 PolarHBondContact O-N 3.34Š| ||
| 51 | T | 59.9 | Low | 80.6 | Confident | 116 Ų | 116 | 81.9 Ų | 81.9 | 71% | 0.712 | 47% | 0.47 | S | S | * | . | trans | -92.3 | 111.3 | 176.9 | -48.4 | 0 | 0 | 0 | 0 | 106.7 | P49 L53 | P49-T51 VanDerWaalsContact C-N 3.31Å; P49-T51 PolarHBondContact O-N 2.96Å; P49-T51 PolarHBondContact O-OG1 3.06Å; T51-L53 PolarHBondContact O-N 2.81Å | ||
| 52 | T | 60.9 | Low | 80.5 | Confident | 133 Ų | 133 | 83.8 Ų | 83.8 | 82% | 0.816 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | 10.6 | -159.9 | 37.6 | 0 | 0 | 0 | 0 | 116.2 | ||
| 53 | L | 74.1 | Confident | 80.5 | Confident | 151 Ų | 151 | 80.6 Ų | 80.6 | 79% | 0.791 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.3 | 30 | -169.4 | -114.9 | 97.4 | 0 | 0 | 0 | 116.1 | T51 | T51-L53 PolarHBondContact O-N 2.81Š|
| 54 | G | 83.5 | Confident | 80.6 | Confident | 38 Ų | 38 | 76.8 Ų | 76.8 | 39% | 0.392 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.8 | -171 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | A68 | G54-A68 CarbonylContact C-O 3.03Å; G54-A68 VanDerWaalsContact CA-O 3.24Å; G54-A68 WeakPolarHBondContact CA-O 2.98Å |
| 55 | C | 87.6 | Confident | 80.9 | Confident | 4 Ų | 4 | 74.8 Ų | 74.8 | 3% | 0.027 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 128.5 | 175.9 | -57.6 | 0 | 0 | 0 | 0 | 109.5 | T67 A68 C96 G100 W101 | C55-T67 WeakPolarHBondContact O-CA 3.41Å; C55-A68 PolarHBondContact N-O 3.42Å; C55-A68 PolarHBondContact O-N 2.92Å; C55-C96 HydrophobicContact CB-CB 3.85Å; C55-C96 WeakPolarHBondContact CB-SG 3.18Å; C55-C96 PolarHBondContact N-SG 3.29Å; C55-C96 WeakPolarHBondContact SG-CA 3.28Å; C55-C96 WeakPolarHBondContact SG-CB 3.32Å; C55-C96 CovalentContact SG-SG 2.04Å; C55-C96 PolarHBondContact SG-SG 2.78Å; C55-G100 VanDerWaalsContact SG-C 3.5Å; C55-W101 HydrophobicContact CB-CD2 3.88Å; C55-W101 HydrophobicContact CB-CG 4.13Å; C55-W101 HydrophobicContact CB-CZ2 3.72Å |
| 56 | P | 87.9 | Confident | 81.2 | Confident | 89 Ų | 89 | 75.8 Ų | 75.8 | 58% | 0.578 | 44% | 0.437 | S | S | * | . | P | Polyproline II helix | trans | -70 | 160.5 | -179.9 | 30.4 | -35.2 | 0 | 0 | 0 | 111.1 | T58 W101 | P56-T58 PolarHBondContact O-N 3.41Å; P56-W101 PolarHBondContact O-NE1 3.04Å |
| 57 | A | 89.1 | Confident | 81.5 | Confident | 18 Ų | 18 | 71.2 Ų | 71.2 | 15% | 0.149 | 42% | 0.42 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 137 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110 | A45 W65 T67 | A45-A57 HydrophobicContact CB-CB 4.11Å; A57-W65 CarbonylContact C-O 3.54Å; A57-W65 WeakPolarHBondContact CA-O 3.5Å; A57-W65 WeakPolarHBondContact CB-O 3.08Å; A57-T67 HydrophobicContact CB-CG2 4.16Å |
| 58 | T | 90.1 | Very high | 82 | Confident | 51 Ų | 51 | 63.6 Ų | 63.6 | 31% | 0.313 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 143.5 | -176.3 | -165.2 | 0 | 0 | 0 | 0 | 112 | P56 W65 W101 | P56-T58 PolarHBondContact O-N 3.41Å; T58-W65 HydrophobicContact CG2-CB 4Å; T58-W65 HydrophobicContact CG2-CG 4.45Å; T58-W65 PolarHBondContact N-O 3.1Å; T58-W65 WeakPolarHBondContact O-CB 3.45Å; T58-W65 PolarHBondContact O-N 3.15Å; T58-W101 VanDerWaalsContact CG2-CD1 3.5Å; T58-W101 HydrophobicContact CG2-CG 4.3Å |
| 59 | W | 90.5 | Very high | 82.8 | Confident | 40 Ų | 40 | 60.6 Ų | 60.6 | 15% | 0.152 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 126.9 | 171.4 | -178.9 | -112 | 0 | 0 | 0 | 109.3 | L34 D37 E38 C41 L42 L62 C64 | L34-W59 HydrophobicContact CD1-CH2 4.1Å; L34-W59 HydrophobicContact CD1-CZ2 4.04Å; L34-W59 HydrophobicContact CG-CZ2 4.17Å; D37-W59 HydrophobicContact CB-CH2 3.92Å; D37-W59 HydrophobicContact CB-CZ3 4.16Å; E38-W59 HydrophobicContact CB-CD2 4.18Å; E38-W59 HydrophobicContact CB-CZ2 3.92Å; E38-W59 HydrophobicContact CG-CD2 4.37Å; E38-W59 HydrophobicContact CG-CG 4.23Å; C41-W59 HydrophobicContact CB-CB 4.49Å; C41-W59 HydrophobicContact CB-CE3 3.9Å; L42-W59 HydrophobicContact CD2-CB 4.49Å; W59-L62 VanDerWaalsContact CH2-C 3.45Å; W59-L62 VanDerWaalsContact CH2-O 3.25Å; W59-L62 WeakPolarHBondContact CH2-O 3.46Å; W59-C64 HydrophobicContact CE3-CB 4.02Å; W59-C64 HydrophobicContact CZ3-CB 4.2Å |
| 60 | D | 88.3 | Confident | 83.9 | Confident | 47 Ų | 47 | 59.1 Ų | 59.1 | 25% | 0.251 | 37% | 0.372 | S | S | . | . | trans | -104 | 9.6 | -179.1 | 74.7 | -7.2 | 0 | 0 | 0 | 114.2 | L62 L63 W65 R94 Y108 | D60-L62 PolarHBondContact OD1-N 3.12Å; D60-L63 PolarHBondContact N-O 3.04Å; D60-L63 PolarHBondContact OD1-N 3.44Å; D60-W65 VanDerWaalsContact CG-NE1 3.3Å; D60-W65 PolarHBondContact OD2-NE1 3.4Å; D60-R94 IonicContact OD2-NH1 3.8Å; D60-Y108 VanDerWaalsContact CG-OH 3.27Å; D60-Y108 PolarHBondContact OD1-OH 3.4Å; D60-Y108 WeakPolarHBondContact OD2-CE2 3.47Å; D60-Y108 PolarHBondContact OD2-OH 3.49Å | ||
| 61 | G | 85.9 | Confident | 85.1 | Confident | 37 Ų | 37 | 53.7 Ų | 53.7 | 38% | 0.381 | 36% | 0.356 | S | S | . | . | S | Bend | trans | 97.9 | -14.8 | -176 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 62 | L | 87.6 | Confident | 86.5 | Confident | 43 Ų | 43 | 53.1 Ų | 53.1 | 23% | 0.225 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -132.4 | -42.9 | -179.7 | -78.9 | 157.3 | 0 | 0 | 0 | 112.8 | W59 D60 P79 F81 F82 Y108 | W59-L62 VanDerWaalsContact CH2-C 3.45Å; W59-L62 VanDerWaalsContact CH2-O 3.25Å; W59-L62 WeakPolarHBondContact CH2-O 3.46Å; D60-L62 PolarHBondContact OD1-N 3.12Å; L62-P79 HydrophobicContact CD2-CG 4.49Å; L62-F81 HydrophobicContact CD2-CE1 4.4Å; L62-F81 HydrophobicContact CD2-CZ 3.93Å; L62-F82 HydrophobicContact CD2-CE2 4.2Å; L62-F82 HydrophobicContact CD2-CZ 4.4Å; L62-Y108 HydrophobicContact CB-CE1 3.96Å; L62-Y108 HydrophobicContact CB-CE2 4.5Å; L62-Y108 HydrophobicContact CD1-CD1 3.69Å; L62-Y108 HydrophobicContact CD1-CD2 3.81Å; L62-Y108 HydrophobicContact CD1-CE1 3.82Å; L62-Y108 HydrophobicContact CD1-CE2 3.93Å; L62-Y108 HydrophobicContact CD1-CG 3.69Å |
| 63 | L | 90.9 | Very high | 87.9 | Confident | 19 Ų | 19 | 54 Ų | 54 | 10% | 0.099 | 33% | 0.333 | C | S | . | . | trans | -128.8 | 147.6 | -175.1 | -70 | 174 | 0 | 0 | 0 | 111.5 | D60 L76 P77 P79 V92 Y108 | D60-L63 PolarHBondContact N-O 3.04Å; D60-L63 PolarHBondContact OD1-N 3.44Å; L63-L76 HydrophobicContact CB-CD1 4.29Å; L63-L76 HydrophobicContact CD1-CB 3.99Å; L63-P77 WeakPolarHBondContact CD1-O 3.36Å; L63-P77 WeakPolarHBondContact CD2-O 3.39Å; L63-P79 HydrophobicContact CD2-CG 3.72Å; L63-P79 HydrophobicContact CG-CG 4.16Å; L63-V92 HydrophobicContact CD1-CB 4.48Å; L63-Y108 HydrophobicContact CD1-CE1 3.93Å; L63-Y108 WeakPolarHBondContact CD1-OH 3.25Å; L63-Y108 HydrophobicContact CG-CE1 4.34Å | ||
| 64 | C | 91.8 | Very high | 88.8 | Confident | 46 Ų | 46 | 47.7 Ų | 47.7 | 31% | 0.311 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 109.4 | 170.9 | -170 | 0 | 0 | 0 | 0 | 110.2 | C41 W59 L76 | C41-C64 WeakPolarHBondContact CA-SG 3.22Å; C41-C64 HydrophobicContact CB-CB 3.53Å; C41-C64 WeakPolarHBondContact CB-SG 3.47Å; C41-C64 WeakPolarHBondContact SG-CA 3.32Å; C41-C64 WeakPolarHBondContact SG-CB 3.43Å; C41-C64 CovalentContact SG-SG 2.03Å; C41-C64 PolarHBondContact SG-SG 3.25Å; W59-C64 HydrophobicContact CE3-CB 4.02Å; W59-C64 HydrophobicContact CZ3-CB 4.2Å; C64-L76 VanDerWaalsContact O-CD1 3.3Å; C64-L76 WeakPolarHBondContact O-CD1 3.45Å |
| 65 | W | 91.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 121.7 | 176.4 | -66.3 | 88.4 | 0 | 0 | 0 | 109.8 | A57 T58 D60 V74 L76 V92 R94 W101 | A57-W65 CarbonylContact C-O 3.54Å; A57-W65 WeakPolarHBondContact CA-O 3.5Å; A57-W65 WeakPolarHBondContact CB-O 3.08Å; T58-W65 HydrophobicContact CG2-CB 4Å; T58-W65 HydrophobicContact CG2-CG 4.45Å; T58-W65 PolarHBondContact N-O 3.1Å; T58-W65 WeakPolarHBondContact O-CB 3.45Å; T58-W65 PolarHBondContact O-N 3.15Å; D60-W65 VanDerWaalsContact CG-NE1 3.3Å; D60-W65 PolarHBondContact OD2-NE1 3.4Å; W65-V74 HydrophobicContact CE3-CB 4.24Å; W65-V74 HydrophobicContact CE3-CG1 4.11Å; W65-V74 HydrophobicContact CZ3-CB 4.16Å; W65-V74 HydrophobicContact CZ3-CG1 4.12Å; W65-L76 HydrophobicContact CD2-CD1 4.04Å; W65-L76 HydrophobicContact CE3-CD1 3.96Å; W65-L76 HydrophobicContact CE3-CG 4.49Å; W65-L76 HydrophobicContact CH2-CD1 4.47Å; W65-L76 HydrophobicContact CZ3-CD1 4.19Å; W65-L76 HydrophobicContact CZ3-CG 4.31Å; W65-V92 HydrophobicContact CH2-CB 4.45Å; W65-V92 HydrophobicContact CH2-CG1 4.06Å; W65-V92 HydrophobicContact CZ2-CG1 3.98Å; W65-R94 HydrophobicContact CD2-CB 4.47Å; W65-R94 HydrophobicContact CD2-CG 4.22Å; W65-R94 HydrophobicContact CE3-CB 3.89Å; W65-R94 HydrophobicContact CE3-CG 4.04Å; W65-R94 HydrophobicContact CH2-CB 3.83Å; W65-R94 HydrophobicContact CH2-CG 3.38Å; W65-R94 HydrophobicContact CZ2-CB 4.39Å; W65-R94 HydrophobicContact CZ2-CG 3.55Å; W65-R94 HydrophobicContact CZ3-CB 3.54Å; W65-R94 HydrophobicContact CZ3-CG 3.63Å; W65-W101 HydrophobicContact CB-CZ2 4.27Å; W65-W101 HydrophobicContact CE3-CZ3 4.21Å |
| 66 | P | 90.2 | Very high | 89.5 | Confident | 58 Ų | 58 | 50.9 Ų | 50.9 | 38% | 0.377 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 166.2 | 178.9 | 32.2 | -37 | 0 | 0 | 0 | 110.8 | V74 W101 | P66-V74 HydrophobicContact CG-CG1 3.84Å; P66-W101 WeakPolarHBondContact O-CZ2 3.47Å |
| 67 | T | 88.9 | Confident | 89.6 | Confident | 73 Ų | 73 | 50.9 Ų | 50.9 | 45% | 0.448 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 140.9 | 171.3 | 45.5 | 0 | 0 | 0 | 0 | 111.6 | M48 C55 A57 | M48-T67 HydrophobicContact CG-CG2 4.5Å; M48-T67 HydrophobicContact SD-CG2 3.59Å; M48-T67 VanDerWaalsContact SD-CG2 3.59Å; C55-T67 WeakPolarHBondContact O-CA 3.41Å; A57-T67 HydrophobicContact CB-CG2 4.16Å |
| 68 | A | 88.7 | Confident | 89.6 | Confident | 8 Ų | 8 | 50.7 Ų | 50.7 | 7% | 0.066 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 148.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | G54 C55 E72 V74 C96 W101 | G54-A68 CarbonylContact C-O 3.03Å; G54-A68 VanDerWaalsContact CA-O 3.24Å; G54-A68 WeakPolarHBondContact CA-O 2.98Å; C55-A68 PolarHBondContact N-O 3.42Å; C55-A68 PolarHBondContact O-N 2.92Å; A68-E72 HydrophobicContact CB-CB 4.3Å; A68-E72 HydrophobicContact CB-CG 4.5Å; A68-V74 HydrophobicContact CB-CG2 3.83Å; A68-C96 HydrophobicContact CB-CB 3.99Å; A68-W101 HydrophobicContact CB-CH2 3.41Å; A68-W101 VanDerWaalsContact CB-CH2 3.41Å; A68-W101 HydrophobicContact CB-CZ2 3.89Å; A68-W101 HydrophobicContact CB-CZ3 4.26Å |
| 69 | G | 86.5 | Confident | 89.3 | Confident | 33 Ų | 33 | 48.9 Ų | 48.9 | 34% | 0.34 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 155.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | G71 E72 C96 | G69-G71 PolarHBondContact O-N 3.46Å; G69-E72 PolarHBondContact N-OE2 2.99Å; G69-E72 WeakPolarHBondContact O-CB 3.31Å; G69-E72 PolarHBondContact O-N 2.91Å; G69-C96 VanDerWaalsContact O-CB 3.31Å; G69-C96 WeakPolarHBondContact O-CB 3.03Å; G69-C96 PolarHBondContact O-SG 3.38Å |
| 70 | S | 86.4 | Confident | 88.9 | Confident | 71 Ų | 71 | 54 Ų | 54 | 50% | 0.497 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | 125.9 | 175.4 | -168.5 | 0 | 0 | 0 | 0 | 111.4 | C96 | S70-C96 WeakPolarHBondContact CA-O 3.46Š|
| 71 | G | 86.5 | Confident | 88.3 | Confident | 53 Ų | 53 | 53.5 Ų | 53.5 | 55% | 0.546 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.2 | 3.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115 | G69 C96 | G69-G71 PolarHBondContact O-N 3.46Å; G71-C96 PolarHBondContact N-O 3.09Å |
| 72 | E | 89.6 | Confident | 87.9 | Confident | 103 Ų | 103 | 53.1 Ų | 53.1 | 48% | 0.481 | 31% | 0.311 | S | S | . | . | trans | -88.2 | 135.2 | 178.4 | -171.1 | 173.7 | -169.6 | 0 | 0 | 111.8 | A68 G69 C96 | A68-E72 HydrophobicContact CB-CB 4.3Å; A68-E72 HydrophobicContact CB-CG 4.5Å; G69-E72 PolarHBondContact N-OE2 2.99Å; G69-E72 WeakPolarHBondContact O-CB 3.31Å; G69-E72 PolarHBondContact O-N 2.91Å; E72-C96 PolarHBondContact O-N 3.13Å | ||
| 73 | W | 91.3 | Very high | 87.2 | Confident | 153 Ų | 153 | 55 Ų | 55 | 58% | 0.58 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 123.2 | 174.5 | -67.9 | 80.5 | 0 | 0 | 0 | 110.1 | D95 | W73-D95 HydrophobicContact CD2-CB 3.88Å; W73-D95 HydrophobicContact CE3-CB 3.77Å; W73-D95 HydrophobicContact CH2-CB 3.68Å; W73-D95 HydrophobicContact CZ2-CB 3.76Å; W73-D95 WeakPolarHBondContact CZ2-OD2 3.48Å; W73-D95 HydrophobicContact CZ3-CB 3.68Å |
| 74 | V | 92.7 | Very high | 86.1 | Confident | 18 Ų | 18 | 61.4 Ų | 61.4 | 11% | 0.109 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 133.1 | 174.2 | -179.2 | 0 | 0 | 0 | 0 | 109.2 | W65 P66 A68 L76 K93 R94 W101 | W65-V74 HydrophobicContact CE3-CB 4.24Å; W65-V74 HydrophobicContact CE3-CG1 4.11Å; W65-V74 HydrophobicContact CZ3-CB 4.16Å; W65-V74 HydrophobicContact CZ3-CG1 4.12Å; P66-V74 HydrophobicContact CG-CG1 3.84Å; A68-V74 HydrophobicContact CB-CG2 3.83Å; V74-L76 HydrophobicContact CG1-CD2 4.39Å; V74-L76 HydrophobicContact CG1-CG 4.18Å; V74-K93 CarbonylContact O-C 3.51Å; V74-K93 VanDerWaalsContact O-CA 3.25Å; V74-K93 WeakPolarHBondContact O-CA 3.34Å; V74-R94 PolarHBondContact N-O 3.01Å; V74-R94 PolarHBondContact O-N 3.08Å; V74-W101 HydrophobicContact CB-CH2 4.23Å; V74-W101 HydrophobicContact CB-CZ3 4.23Å; V74-W101 HydrophobicContact CG2-CH2 3.76Å; V74-W101 HydrophobicContact CG2-CZ3 4.09Å |
| 75 | T | 93.1 | Very high | 85.2 | Confident | 71 Ų | 71 | 63.5 Ų | 63.5 | 44% | 0.436 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 124 | 175.4 | -56.6 | 0 | 0 | 0 | 0 | 108.6 | A91 V92 K93 | T75-A91 HydrophobicContact CG2-CB 4.01Å; T75-V92 WeakPolarHBondContact CA-O 3.23Å; T75-K93 HydrophobicContact CG2-CD 4.4Å; T75-K93 HydrophobicContact CG2-CG 3.89Å; T75-K93 WeakPolarHBondContact OG1-CD 3.4Å; T75-K93 WeakPolarHBondContact OG1-CE 3.46Å; T75-K93 WeakPolarHBondContact OG1-CG 3.28Å |
| 76 | L | 92.1 | Very high | 84.1 | Confident | 38 Ų | 38 | 64.9 Ų | 64.9 | 20% | 0.199 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 143.4 | 176.1 | -65.8 | 176.9 | 0 | 0 | 0 | 110 | L63 C64 W65 V74 A91 V92 | L63-L76 HydrophobicContact CB-CD1 4.29Å; L63-L76 HydrophobicContact CD1-CB 3.99Å; C64-L76 VanDerWaalsContact O-CD1 3.3Å; C64-L76 WeakPolarHBondContact O-CD1 3.45Å; W65-L76 HydrophobicContact CD2-CD1 4.04Å; W65-L76 HydrophobicContact CE3-CD1 3.96Å; W65-L76 HydrophobicContact CE3-CG 4.49Å; W65-L76 HydrophobicContact CH2-CD1 4.47Å; W65-L76 HydrophobicContact CZ3-CD1 4.19Å; W65-L76 HydrophobicContact CZ3-CG 4.31Å; V74-L76 HydrophobicContact CG1-CD2 4.39Å; V74-L76 HydrophobicContact CG1-CG 4.18Å; L76-A91 CarbonylContact O-C 3.55Å; L76-A91 VanDerWaalsContact O-CA 3.31Å; L76-A91 WeakPolarHBondContact O-CA 3.11Å; L76-V92 PolarHBondContact N-O 2.85Å; L76-V92 PolarHBondContact O-N 3.36Å |
| 77 | P | 90.6 | Very high | 83.1 | Confident | 88 Ų | 88 | 68 Ų | 68 | 57% | 0.571 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 158.3 | 171.8 | 30.7 | -34.3 | 0 | 0 | 0 | 110.7 | L63 | L63-P77 WeakPolarHBondContact CD1-O 3.36Å; L63-P77 WeakPolarHBondContact CD2-O 3.39Å |
| 78 | C | 87.9 | Confident | 82.2 | Confident | 15 Ų | 15 | 71.3 Ų | 71.3 | 10% | 0.101 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -58.1 | 146.9 | 166.8 | -63.4 | 0 | 0 | 0 | 0 | 110.1 | F82 G90 C112 | C78-F82 HydrophobicContact CB-CB 4.33Å; C78-F82 HydrophobicContact CB-CD2 4.05Å; C78-F82 HydrophobicContact CB-CG 4.33Å; C78-G90 PolarHBondContact N-O 3.13Å; C78-G90 WeakPolarHBondContact SG-CA 3.38Å; C78-G90 PolarHBondContact SG-O 2.78Å; C78-C112 HydrophobicContact CB-CB 3.95Å; C78-C112 WeakPolarHBondContact CB-SG 3.21Å; C78-C112 VanDerWaalsContact SG-CA 3.59Å; C78-C112 WeakPolarHBondContact SG-CB 3.49Å; C78-C112 CovalentContact SG-SG 2.02Å; C78-C112 PolarHBondContact SG-SG 2.82Å |
| 79 | P | 85.3 | Confident | 81.6 | Confident | 12 Ų | 12 | 77 Ų | 77 | 8% | 0.078 | 44% | 0.444 | C | S | . | . | P | Polyproline II helix | trans | -50.9 | 145.1 | 174.3 | -27.3 | 32.5 | 0 | 0 | 0 | 113.1 | L62 L63 F81 F82 | L62-P79 HydrophobicContact CD2-CG 4.49Å; L63-P79 HydrophobicContact CD2-CG 3.72Å; L63-P79 HydrophobicContact CG-CG 4.16Å; P79-F81 HydrophobicContact CB-CD1 3.44Å; P79-F81 VanDerWaalsContact CB-CD1 3.44Å; P79-F81 HydrophobicContact CB-CE1 3.25Å; P79-F81 HydrophobicContact CB-CG 4.44Å; P79-F81 HydrophobicContact CB-CZ 4.13Å; P79-F81 HydrophobicContact CG-CD1 4.43Å; P79-F81 HydrophobicContact CG-CE1 3.76Å; P79-F81 HydrophobicContact CG-CZ 4.34Å; P79-F81 PolarHBondContact O-N 3.3Å; P79-F81 VanDerWaalsContact O-N 3.08Å; P79-F82 HydrophobicContact CB-CD2 3.96Å; P79-F82 HydrophobicContact CB-CE2 4.25Å; P79-F82 HydrophobicContact CG-CD2 4.03Å; P79-F82 HydrophobicContact CG-CE2 3.9Å; P79-F82 WeakPolarHBondContact O-CB 3.01Å; P79-F82 WeakPolarHBondContact O-CD2 2.9Å; P79-F82 PolarHBondContact O-N 3.47Å |
| 80 | D | 80.3 | Confident | 81.4 | Confident | 148 Ų | 148 | 76.2 Ų | 76.2 | 79% | 0.791 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -58.9 | -28.7 | -173.1 | -72.3 | -31.5 | 0 | 0 | 0 | 113.5 | F82 S83 | D80-F82 PolarHBondContact O-N 3.07Å; D80-F82 VanDerWaalsContact O-N 3.16Å; D80-S83 VanDerWaalsContact O-CB 3.25Å; D80-S83 WeakPolarHBondContact O-CB 3.36Å; D80-S83 PolarHBondContact O-N 3.39Å; D80-S83 PolarHBondContact O-OG 2.98Å |
| 81 | F | 76.2 | Confident | 81.5 | Confident | 36 Ų | 36 | 74.9 Ų | 74.9 | 16% | 0.158 | 43% | 0.429 | C | S | . | . | G | 310 helix | trans | -62.2 | -22.7 | 177.6 | 74.5 | -100.9 | 0 | 0 | 0 | 113.1 | F30 L34 L62 P79 S83 H84 F85 | F30-F81 HydrophobicContact CB-CB 4.17Å; L34-F81 HydrophobicContact CD1-CE1 4.03Å; L62-F81 HydrophobicContact CD2-CE1 4.4Å; L62-F81 HydrophobicContact CD2-CZ 3.93Å; P79-F81 HydrophobicContact CB-CD1 3.44Å; P79-F81 VanDerWaalsContact CB-CD1 3.44Å; P79-F81 HydrophobicContact CB-CE1 3.25Å; P79-F81 HydrophobicContact CB-CG 4.44Å; P79-F81 HydrophobicContact CB-CZ 4.13Å; P79-F81 HydrophobicContact CG-CD1 4.43Å; P79-F81 HydrophobicContact CG-CE1 3.76Å; P79-F81 HydrophobicContact CG-CZ 4.34Å; P79-F81 PolarHBondContact O-N 3.3Å; P79-F81 VanDerWaalsContact O-N 3.08Å; F81-S83 PolarHBondContact O-N 3.22Å; F81-H84 WeakPolarHBondContact O-CB 3.48Å; F81-H84 PolarHBondContact O-CD2 2.78Å; F81-H84 VanDerWaalsContact O-CD2 3.31Å; F81-H84 PolarHBondContact O-N 3.27Å; F81-H84 VanDerWaalsContact O-N 3.14Å; F81-F85 HydrophobicContact CD2-CE2 4.17Å |
| 82 | F | 77.4 | Confident | 81.7 | Confident | 29 Ų | 29 | 72.3 Ų | 72.3 | 13% | 0.127 | 40% | 0.403 | C | S | . | . | G | 310 helix | trans | -64 | -22.6 | 174.9 | -80.3 | -81.4 | 0 | 0 | 0 | 112.8 | L62 C78 P79 D80 H84 F85 S86 C112 V114 | L62-F82 HydrophobicContact CD2-CE2 4.2Å; L62-F82 HydrophobicContact CD2-CZ 4.4Å; C78-F82 HydrophobicContact CB-CB 4.33Å; C78-F82 HydrophobicContact CB-CD2 4.05Å; C78-F82 HydrophobicContact CB-CG 4.33Å; P79-F82 HydrophobicContact CB-CD2 3.96Å; P79-F82 HydrophobicContact CB-CE2 4.25Å; P79-F82 HydrophobicContact CG-CD2 4.03Å; P79-F82 HydrophobicContact CG-CE2 3.9Å; P79-F82 WeakPolarHBondContact O-CB 3.01Å; P79-F82 WeakPolarHBondContact O-CD2 2.9Å; P79-F82 PolarHBondContact O-N 3.47Å; D80-F82 PolarHBondContact O-N 3.07Å; D80-F82 VanDerWaalsContact O-N 3.16Å; F82-H84 PolarHBondContact O-N 2.87Å; F82-H84 VanDerWaalsContact O-N 3.15Å; F82-F85 PolarHBondContact O-N 2.99Å; F82-S86 PolarHBondContact O-N 3.47Å; F82-C112 HydrophobicContact CD1-CB 3.7Å; F82-C112 HydrophobicContact CD2-CB 4.22Å; F82-C112 HydrophobicContact CE1-CB 3.59Å; F82-C112 HydrophobicContact CE2-CB 4.12Å; F82-C112 HydrophobicContact CG-CB 4.02Å; F82-C112 HydrophobicContact CZ-CB 3.81Å; F82-V114 HydrophobicContact CD1-CG2 4.07Å; F82-V114 HydrophobicContact CE1-CG2 3.71Å |
| 83 | S | 73 | Confident | 81.8 | Confident | 83 Ų | 83 | 72.1 Ų | 72.1 | 58% | 0.58 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -61.7 | -19.4 | 175.1 | 68.9 | 0 | 0 | 0 | 0 | 113.4 | D80 F81 S86 | D80-S83 VanDerWaalsContact O-CB 3.25Å; D80-S83 WeakPolarHBondContact O-CB 3.36Å; D80-S83 PolarHBondContact O-N 3.39Å; D80-S83 PolarHBondContact O-OG 2.98Å; F81-S83 PolarHBondContact O-N 3.22Å; S83-S86 WeakPolarHBondContact CA-O 3.4Å |
| 84 | H | 68.7 | Low | 81.9 | Confident | 154 Ų | 154 | 65.9 Ų | 65.9 | 71% | 0.713 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -73.3 | -26.3 | 172.5 | -65.5 | -62.5 | 0 | 0 | 0 | 113.2 | F81 F82 | F81-H84 WeakPolarHBondContact O-CB 3.48Å; F81-H84 PolarHBondContact O-CD2 2.78Å; F81-H84 VanDerWaalsContact O-CD2 3.31Å; F81-H84 PolarHBondContact O-N 3.27Å; F81-H84 VanDerWaalsContact O-N 3.14Å; F82-H84 PolarHBondContact O-N 2.87Å; F82-H84 VanDerWaalsContact O-N 3.15Å |
| 85 | F | 71.9 | Confident | 81.9 | Confident | 89 Ų | 89 | 66.5 Ų | 66.5 | 39% | 0.39 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | -31.5 | -175.9 | -59.9 | -71.7 | 0 | 0 | 0 | 113.1 | F81 F82 V114 | F81-F85 HydrophobicContact CD2-CE2 4.17Å; F82-F85 PolarHBondContact O-N 2.99Å; F85-V114 HydrophobicContact CB-CG1 4.42Å; F85-V114 HydrophobicContact CD1-CG1 4.21Å; F85-V114 HydrophobicContact CG-CG1 4.29Å |
| 86 | S | 69.4 | Low | 81.8 | Confident | 30 Ų | 30 | 63.1 Ų | 63.1 | 21% | 0.21 | 36% | 0.359 | C | S | . | . | trans | -143.2 | 140.4 | -179.1 | -176 | 0 | 0 | 0 | 0 | 110.6 | F82 S83 E88 | F82-S86 PolarHBondContact O-N 3.47Å; S83-S86 WeakPolarHBondContact CA-O 3.4Å; S86-E88 PolarHBondContact O-N 3.36Å; S86-E88 PolarHBondContact OG-N 3.11Å; S86-E88 VanDerWaalsContact OG-N 3.15Å | ||
| 87 | S | 69.2 | Low | 81.6 | Confident | 122 Ų | 122 | 63.4 Ų | 63.4 | 85% | 0.853 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -77.7 | -7.1 | 170.8 | 56.1 | 0 | 0 | 0 | 0 | 112.8 | ||
| 88 | E | 70.5 | Confident | 81.3 | Confident | 144 Ų | 144 | 66.9 Ų | 66.9 | 67% | 0.673 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -82.3 | 124.9 | 179.5 | -62.6 | -165.7 | 158.2 | 0 | 0 | 111.3 | S86 G90 | S86-E88 PolarHBondContact O-N 3.36Å; S86-E88 PolarHBondContact OG-N 3.11Å; S86-E88 VanDerWaalsContact OG-N 3.15Å; E88-G90 PolarHBondContact O-N 3.49Å; E88-G90 VanDerWaalsContact O-N 3.17Å |
| 89 | S | 74.3 | Confident | 81.2 | Confident | 128 Ų | 128 | 72.5 Ų | 72.5 | 90% | 0.895 | 41% | 0.408 | S | S | * | . | trans | -79.1 | 97.7 | 173.9 | 15.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 90 | G | 82.6 | Confident | 81.3 | Confident | 16 Ų | 16 | 73.1 Ų | 73.1 | 17% | 0.165 | 42% | 0.416 | C | S | . | . | trans | -79.7 | 157.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | C78 E88 A111 | C78-G90 PolarHBondContact N-O 3.13Å; C78-G90 WeakPolarHBondContact SG-CA 3.38Å; C78-G90 PolarHBondContact SG-O 2.78Å; E88-G90 PolarHBondContact O-N 3.49Å; E88-G90 VanDerWaalsContact O-N 3.17Å; G90-A111 WeakPolarHBondContact CA-O 3.45Å | ||
| 91 | A | 89 | Confident | 81.7 | Confident | 42 Ų | 42 | 67.8 Ų | 67.8 | 35% | 0.347 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 144.3 | 173 | 0 | 0 | 0 | 0 | 0 | 111.4 | T75 L76 | T75-A91 HydrophobicContact CG2-CB 4.01Å; L76-A91 CarbonylContact O-C 3.55Å; L76-A91 VanDerWaalsContact O-CA 3.31Å; L76-A91 WeakPolarHBondContact O-CA 3.11Å |
| 92 | V | 91.2 | Very high | 82.4 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 140 | -176.7 | -177.6 | 0 | 0 | 0 | 0 | 109 | L63 W65 T75 L76 P104 Y108 A111 | L63-V92 HydrophobicContact CD1-CB 4.48Å; W65-V92 HydrophobicContact CH2-CB 4.45Å; W65-V92 HydrophobicContact CH2-CG1 4.06Å; W65-V92 HydrophobicContact CZ2-CG1 3.98Å; T75-V92 WeakPolarHBondContact CA-O 3.23Å; L76-V92 PolarHBondContact N-O 2.85Å; L76-V92 PolarHBondContact O-N 3.36Å; V92-P104 HydrophobicContact CG1-CB 3.43Å; V92-P104 VanDerWaalsContact CG1-CB 3.43Å; V92-Y108 HydrophobicContact CB-CE1 4.46Å; V92-Y108 HydrophobicContact CG1-CE1 4.43Å; V92-Y108 HydrophobicContact CG2-CD1 3.84Å; V92-Y108 HydrophobicContact CG2-CE1 3.75Å; V92-A111 HydrophobicContact CG2-CB 3.46Å; V92-A111 VanDerWaalsContact CG2-CB 3.46Å |
| 93 | K | 92 | Very high | 83 | Confident | 98 Ų | 98 | 73.4 Ų | 73.4 | 43% | 0.426 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 144.3 | -179.7 | -52 | -171.6 | 175.3 | 177.5 | 0 | 111.9 | V74 T75 F105 | V74-K93 CarbonylContact O-C 3.51Å; V74-K93 VanDerWaalsContact O-CA 3.25Å; V74-K93 WeakPolarHBondContact O-CA 3.34Å; T75-K93 HydrophobicContact CG2-CD 4.4Å; T75-K93 HydrophobicContact CG2-CG 3.89Å; T75-K93 WeakPolarHBondContact OG1-CD 3.4Å; T75-K93 WeakPolarHBondContact OG1-CE 3.46Å; T75-K93 WeakPolarHBondContact OG1-CG 3.28Å; K93-F105 WeakPolarHBondContact CA-O 3.47Å; K93-F105 VanDerWaalsContact CB-O 3.32Å; K93-F105 WeakPolarHBondContact CB-O 3.07Å; K93-F105 PolarHBondContact N-O 2.89Å; K93-F105 PolarHBondContact O-N 3.13Å |
| 94 | R | 93 | Very high | 83.7 | Confident | 23 Ų | 23 | 70.4 Ų | 70.4 | 9% | 0.087 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 145.3 | 167.9 | -67.1 | 175.5 | 85.5 | 153.7 | 6.5 | 110.4 | D60 W65 V74 W101 S102 P104 | D60-R94 IonicContact OD2-NH1 3.8Å; W65-R94 HydrophobicContact CD2-CB 4.47Å; W65-R94 HydrophobicContact CD2-CG 4.22Å; W65-R94 HydrophobicContact CE3-CB 3.89Å; W65-R94 HydrophobicContact CE3-CG 4.04Å; W65-R94 HydrophobicContact CH2-CB 3.83Å; W65-R94 HydrophobicContact CH2-CG 3.38Å; W65-R94 HydrophobicContact CZ2-CB 4.39Å; W65-R94 HydrophobicContact CZ2-CG 3.55Å; W65-R94 HydrophobicContact CZ3-CB 3.54Å; W65-R94 HydrophobicContact CZ3-CG 3.63Å; V74-R94 PolarHBondContact N-O 3.01Å; V74-R94 PolarHBondContact O-N 3.08Å; R94-W101 HydrophobicContact CB-CE3 3.67Å; R94-W101 HydrophobicContact CB-CZ3 4.01Å; R94-S102 PolarHBondContact NE-O 3.26Å; R94-S102 PolarHBondContact NH2-O 3.03Å; R94-P104 HydrophobicContact CG-CB 4.3Å; R94-P104 HydrophobicContact CG-CG 4.45Å |
| 95 | D | 91.7 | Very high | 84.6 | Confident | 31 Ų | 31 | 69.8 Ų | 69.8 | 17% | 0.166 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 137.1 | 172.3 | -173.4 | 4.6 | 0 | 0 | 0 | 109.4 | W73 T97 S102 | W73-D95 HydrophobicContact CD2-CB 3.88Å; W73-D95 HydrophobicContact CE3-CB 3.77Å; W73-D95 HydrophobicContact CH2-CB 3.68Å; W73-D95 HydrophobicContact CZ2-CB 3.76Å; W73-D95 WeakPolarHBondContact CZ2-OD2 3.48Å; W73-D95 HydrophobicContact CZ3-CB 3.68Å; D95-T97 PolarHBondContact O-N 2.79Å; D95-S102 PolarHBondContact N-OG 3.3Å; D95-S102 PolarHBondContact O-N 2.96Å |
| 96 | C | 91.3 | Very high | 85.5 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 96.5 | 169.5 | 176.9 | 0 | 0 | 0 | 0 | 110.9 | C55 A68 G69 S70 G71 E72 W101 | C55-C96 HydrophobicContact CB-CB 3.85Å; C55-C96 WeakPolarHBondContact CB-SG 3.18Å; C55-C96 PolarHBondContact N-SG 3.29Å; C55-C96 WeakPolarHBondContact SG-CA 3.28Å; C55-C96 WeakPolarHBondContact SG-CB 3.32Å; C55-C96 CovalentContact SG-SG 2.04Å; C55-C96 PolarHBondContact SG-SG 2.78Å; A68-C96 HydrophobicContact CB-CB 3.99Å; G69-C96 VanDerWaalsContact O-CB 3.31Å; G69-C96 WeakPolarHBondContact O-CB 3.03Å; G69-C96 PolarHBondContact O-SG 3.38Å; S70-C96 WeakPolarHBondContact CA-O 3.46Å; G71-C96 PolarHBondContact N-O 3.09Å; E72-C96 PolarHBondContact O-N 3.13Å; C96-W101 HydrophobicContact CB-CZ3 4.32Å |
| 97 | T | 88.4 | Confident | 86.4 | Confident | 43 Ų | 43 | 69.4 Ų | 69.4 | 26% | 0.264 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 167.8 | 178.9 | 73.4 | 0 | 0 | 0 | 0 | 112.2 | D95 T99 G100 | D95-T97 PolarHBondContact O-N 2.79Å; T97-T99 PolarHBondContact O-N 3.04Å; T97-T99 VanDerWaalsContact O-N 3.08Å; T97-T99 PolarHBondContact OG1-N 3.39Å; T97-T99 PolarHBondContact OG1-OG1 3.33Å; T97-G100 WeakPolarHBondContact CA-O 3.38Å; T97-G100 WeakPolarHBondContact CB-O 3.33Å; T97-G100 PolarHBondContact N-O 3.03Å; T97-G100 PolarHBondContact O-N 3.05Å; T97-G100 PolarHBondContact OG1-N 3.31Å; T97-G100 PolarHBondContact OG1-O 3.42Å |
| 98 | I | 85 | Confident | 87.2 | Confident | 162 Ų | 162 | 65.2 Ų | 65.2 | 83% | 0.831 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -19.7 | 172.2 | 60.9 | 170.3 | 0 | 0 | 0 | 113.4 | ||
| 99 | T | 85.4 | Confident | 87.7 | Confident | 133 Ų | 133 | 63.3 Ų | 63.3 | 82% | 0.816 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | -3.3 | 177.3 | 44.2 | 0 | 0 | 0 | 0 | 113.5 | T97 | T97-T99 PolarHBondContact O-N 3.04Å; T97-T99 VanDerWaalsContact O-N 3.08Å; T97-T99 PolarHBondContact OG1-N 3.39Å; T97-T99 PolarHBondContact OG1-OG1 3.33Å |
| 100 | G | 86.6 | Confident | 88.2 | Confident | 24 Ų | 24 | 62.2 Ų | 62.2 | 25% | 0.247 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 115.5 | -163.2 | -174 | 0 | 0 | 0 | 0 | 0 | 113 | C55 T97 | C55-G100 VanDerWaalsContact SG-C 3.5Å; T97-G100 WeakPolarHBondContact CA-O 3.38Å; T97-G100 WeakPolarHBondContact CB-O 3.33Å; T97-G100 PolarHBondContact N-O 3.03Å; T97-G100 PolarHBondContact O-N 3.05Å; T97-G100 PolarHBondContact OG1-N 3.31Å; T97-G100 PolarHBondContact OG1-O 3.42Å |
| 101 | W | 89.3 | Confident | 88.2 | Confident | 36 Ų | 36 | 61.9 Ų | 61.9 | 14% | 0.136 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 131.5 | 179.8 | -72.5 | 109.8 | 0 | 0 | 0 | 112.7 | C55 P56 T58 W65 P66 A68 V74 R94 C96 | C55-W101 HydrophobicContact CB-CD2 3.88Å; C55-W101 HydrophobicContact CB-CG 4.13Å; C55-W101 HydrophobicContact CB-CZ2 3.72Å; P56-W101 PolarHBondContact O-NE1 3.04Å; T58-W101 VanDerWaalsContact CG2-CD1 3.5Å; T58-W101 HydrophobicContact CG2-CG 4.3Å; W65-W101 HydrophobicContact CB-CZ2 4.27Å; W65-W101 HydrophobicContact CE3-CZ3 4.21Å; P66-W101 WeakPolarHBondContact O-CZ2 3.47Å; A68-W101 HydrophobicContact CB-CH2 3.41Å; A68-W101 VanDerWaalsContact CB-CH2 3.41Å; A68-W101 HydrophobicContact CB-CZ2 3.89Å; A68-W101 HydrophobicContact CB-CZ3 4.26Å; V74-W101 HydrophobicContact CB-CH2 4.23Å; V74-W101 HydrophobicContact CB-CZ3 4.23Å; V74-W101 HydrophobicContact CG2-CH2 3.76Å; V74-W101 HydrophobicContact CG2-CZ3 4.09Å; R94-W101 HydrophobicContact CB-CE3 3.67Å; R94-W101 HydrophobicContact CB-CZ3 4.01Å; C96-W101 HydrophobicContact CB-CZ3 4.32Å |
| 102 | S | 90.9 | Very high | 88 | Confident | 31 Ų | 31 | 60.2 Ų | 60.2 | 22% | 0.217 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 167.3 | 169.2 | 76.6 | 0 | 0 | 0 | 0 | 111.5 | R94 D95 | R94-S102 PolarHBondContact NE-O 3.26Å; R94-S102 PolarHBondContact NH2-O 3.03Å; D95-S102 PolarHBondContact N-OG 3.3Å; D95-S102 PolarHBondContact O-N 2.96Å |
| 103 | E | 88.8 | Confident | 87.4 | Confident | 153 Ų | 153 | 62.6 Ų | 62.6 | 72% | 0.715 | 35% | 0.346 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 149.6 | 166.4 | -69.9 | -59.1 | 131.8 | 0 | 0 | 111.1 | F105 | E103-F105 PolarHBondContact O-N 3.19Š|
| 104 | P | 88.4 | Confident | 86.6 | Confident | 19 Ų | 19 | 60.1 Ų | 60.1 | 12% | 0.123 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 130.5 | 176.6 | -16.4 | 27.9 | 0 | 0 | 0 | 112.3 | V92 R94 P106 Y108 | V92-P104 HydrophobicContact CG1-CB 3.43Å; V92-P104 VanDerWaalsContact CG1-CB 3.43Å; R94-P104 HydrophobicContact CG-CB 4.3Å; R94-P104 HydrophobicContact CG-CG 4.45Å; P104-P106 CarbonylContact O-C 3.55Å; P104-Y108 HydrophobicContact CB-CD2 4.4Å; P104-Y108 HydrophobicContact CB-CE2 4.12Å; P104-Y108 HydrophobicContact CG-CD2 4.33Å; P104-Y108 HydrophobicContact CG-CE2 3.87Å |
| 105 | F | 88.7 | Confident | 85.6 | Confident | 142 Ų | 142 | 61.5 Ų | 61.5 | 62% | 0.623 | 35% | 0.351 | S | S | * | . | B | Isolated β-bridge | trans | -131.1 | 126.4 | -179.5 | -172.7 | -95.5 | 0 | 0 | 0 | 112 | K93 E103 | K93-F105 WeakPolarHBondContact CA-O 3.47Å; K93-F105 VanDerWaalsContact CB-O 3.32Å; K93-F105 WeakPolarHBondContact CB-O 3.07Å; K93-F105 PolarHBondContact N-O 2.89Å; K93-F105 PolarHBondContact O-N 3.13Å; E103-F105 PolarHBondContact O-N 3.19Å |
| 106 | P | 90.1 | Very high | 84.7 | Confident | 42 Ų | 42 | 66.3 Ų | 66.3 | 27% | 0.273 | 38% | 0.376 | S | S | . | . | S | Bend | cis | -63.3 | 157.3 | -9.9 | 24.8 | -27.8 | 0 | 0 | 0 | 111.5 | P104 V110 A111 | P104-P106 CarbonylContact O-C 3.55Å; P106-V110 HydrophobicContact CB-CB 4.21Å; P106-V110 HydrophobicContact CB-CG1 4.08Å; P106-A111 HydrophobicContact CG-CB 3.93Å |
| 107 | P | 87.9 | Confident | 83.7 | Confident | 69 Ų | 69 | 74.5 Ų | 74.5 | 45% | 0.448 | 41% | 0.414 | S | S | . | . | trans | -54.1 | 146.4 | 175.6 | -25.4 | 34.4 | 0 | 0 | 0 | 111.5 | P109 V110 A111 | P107-P109 VanDerWaalsContact C-N 3.34Å; P107-P109 VanDerWaalsContact O-N 3.12Å; P107-V110 WeakPolarHBondContact O-CB 3.44Å; P107-V110 PolarHBondContact O-N 2.93Å; P107-A111 PolarHBondContact O-N 2.99Å | ||
| 108 | Y | 86 | Confident | 82.9 | Confident | 33 Ų | 33 | 77.7 Ų | 77.7 | 13% | 0.129 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -45.8 | -44 | -176.6 | -79.7 | -74.7 | 0 | 0 | 0 | 115.5 | D60 L62 L63 V92 P104 V110 A111 C112 | D60-Y108 VanDerWaalsContact CG-OH 3.27Å; D60-Y108 PolarHBondContact OD1-OH 3.4Å; D60-Y108 WeakPolarHBondContact OD2-CE2 3.47Å; D60-Y108 PolarHBondContact OD2-OH 3.49Å; L62-Y108 HydrophobicContact CB-CE1 3.96Å; L62-Y108 HydrophobicContact CB-CE2 4.5Å; L62-Y108 HydrophobicContact CD1-CD1 3.69Å; L62-Y108 HydrophobicContact CD1-CD2 3.81Å; L62-Y108 HydrophobicContact CD1-CE1 3.82Å; L62-Y108 HydrophobicContact CD1-CE2 3.93Å; L62-Y108 HydrophobicContact CD1-CG 3.69Å; L63-Y108 HydrophobicContact CD1-CE1 3.93Å; L63-Y108 WeakPolarHBondContact CD1-OH 3.25Å; L63-Y108 HydrophobicContact CG-CE1 4.34Å; V92-Y108 HydrophobicContact CB-CE1 4.46Å; V92-Y108 HydrophobicContact CG1-CE1 4.43Å; V92-Y108 HydrophobicContact CG2-CD1 3.84Å; V92-Y108 HydrophobicContact CG2-CE1 3.75Å; P104-Y108 HydrophobicContact CB-CD2 4.4Å; P104-Y108 HydrophobicContact CB-CE2 4.12Å; P104-Y108 HydrophobicContact CG-CD2 4.33Å; P104-Y108 HydrophobicContact CG-CE2 3.87Å; Y108-V110 PolarHBondContact O-N 2.78Å; Y108-V110 VanDerWaalsContact O-N 3.12Å; Y108-A111 PolarHBondContact O-N 3.3Å; Y108-C112 PolarHBondContact O-N 1.97Å |
| 109 | P | 81.7 | Confident | 82.2 | Confident | 105 Ų | 105 | 73 Ų | 73 | 68% | 0.682 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -61.6 | -22.8 | 179.1 | -24.3 | 35.1 | 0 | 0 | 0 | 114.7 | P107 | P107-P109 VanDerWaalsContact C-N 3.34Å; P107-P109 VanDerWaalsContact O-N 3.12Å |
| 110 | V | 83.4 | Confident | 81.7 | Confident | 105 Ų | 105 | 69.2 Ų | 69.2 | 64% | 0.636 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -94.6 | -38.8 | 177.9 | 179.5 | 0 | 0 | 0 | 0 | 110.7 | P106 P107 Y108 | P106-V110 HydrophobicContact CB-CB 4.21Å; P106-V110 HydrophobicContact CB-CG1 4.08Å; P107-V110 WeakPolarHBondContact O-CB 3.44Å; P107-V110 PolarHBondContact O-N 2.93Å; Y108-V110 PolarHBondContact O-N 2.78Å; Y108-V110 VanDerWaalsContact O-N 3.12Å |
| 111 | A | 83.8 | Confident | 81.1 | Confident | 9 Ų | 9 | 74.9 Ų | 74.9 | 7% | 0.074 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -70.2 | -40.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | G90 V92 P106 P107 Y108 P113 | G90-A111 WeakPolarHBondContact CA-O 3.45Å; V92-A111 HydrophobicContact CG2-CB 3.46Å; V92-A111 VanDerWaalsContact CG2-CB 3.46Å; P106-A111 HydrophobicContact CG-CB 3.93Å; P107-A111 PolarHBondContact O-N 2.99Å; Y108-A111 PolarHBondContact O-N 3.3Å; A111-P113 WeakPolarHBondContact O-CD 3.01Å |
| 112 | C | 84.5 | Confident | 80.3 | Confident | 6 Ų | 6 | 78.4 Ų | 78.4 | 4% | 0.041 | 43% | 0.425 | C | S | . | . | S | Bend | trans | -125.1 | 72.5 | -175.4 | -42.7 | 0 | 0 | 0 | 0 | 108.7 | C78 F82 Y108 V114 | C78-C112 HydrophobicContact CB-CB 3.95Å; C78-C112 WeakPolarHBondContact CB-SG 3.21Å; C78-C112 VanDerWaalsContact SG-CA 3.59Å; C78-C112 WeakPolarHBondContact SG-CB 3.49Å; C78-C112 CovalentContact SG-SG 2.02Å; C78-C112 PolarHBondContact SG-SG 2.82Å; F82-C112 HydrophobicContact CD1-CB 3.7Å; F82-C112 HydrophobicContact CD2-CB 4.22Å; F82-C112 HydrophobicContact CE1-CB 3.59Å; F82-C112 HydrophobicContact CE2-CB 4.12Å; F82-C112 HydrophobicContact CG-CB 4.02Å; F82-C112 HydrophobicContact CZ-CB 3.81Å; Y108-C112 PolarHBondContact O-N 1.97Å; C112-V114 PolarHBondContact O-N 3.28Å |
| 113 | P | 77.8 | Confident | 79.7 | Confident | 50 Ų | 50 | 83.9 Ų | 83.9 | 33% | 0.325 | 45% | 0.447 | S | S | . | . | trans | -67.6 | 123.2 | -173.9 | 27.3 | -33.9 | 0 | 0 | 0 | 111 | A111 | A111-P113 WeakPolarHBondContact O-CD 3.01Š| ||
| 114 | V | 75.6 | Confident | 79.3 | Confident | 47 Ų | 47 | 80 Ų | 80 | 29% | 0.285 | 44% | 0.437 | S | S | . | . | trans | -97.6 | 127.8 | 166.8 | -178.1 | 0 | 0 | 0 | 0 | 107.3 | F82 F85 C112 L116 L119 | F82-V114 HydrophobicContact CD1-CG2 4.07Å; F82-V114 HydrophobicContact CE1-CG2 3.71Å; F85-V114 HydrophobicContact CB-CG1 4.42Å; F85-V114 HydrophobicContact CD1-CG1 4.21Å; F85-V114 HydrophobicContact CG-CG1 4.29Å; C112-V114 PolarHBondContact O-N 3.28Å; V114-L116 HydrophobicContact CB-CD1 4.48Å; V114-L116 PolarHBondContact O-N 2.97Å; V114-L119 HydrophobicContact CG1-CD1 3.71Å | ||
| 115 | P | 72.8 | Confident | 78.9 | Confident | 51 Ų | 51 | 82.4 Ų | 82.4 | 33% | 0.331 | 44% | 0.444 | S | S | . | . | trans | -72.7 | 71.6 | -178.9 | 30.8 | -35.2 | 0 | 0 | 0 | 111.5 | E117 L118 L119 | P115-E117 VanDerWaalsContact C-N 3.25Å; P115-E117 PolarHBondContact O-N 3Å; P115-L118 HydrophobicContact CB-CB 4.37Å; P115-L118 HydrophobicContact CB-CD1 4.04Å; P115-L118 HydrophobicContact CB-CG 4.4Å; P115-L118 PolarHBondContact O-N 3.27Å; P115-L119 PolarHBondContact O-N 3.44Å | ||
| 116 | L | 71.7 | Confident | 78.5 | Confident | 132 Ų | 132 | 81 Ų | 81 | 69% | 0.691 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -58.2 | -34.1 | -175.5 | -112.9 | 114.1 | 0 | 0 | 0 | 113.1 | V114 L119 A120 | V114-L116 HydrophobicContact CB-CD1 4.48Å; V114-L116 PolarHBondContact O-N 2.97Å; L116-L119 PolarHBondContact O-N 3.37Å; L116-A120 VanDerWaalsContact O-CB 3.32Å; L116-A120 WeakPolarHBondContact O-CB 3.37Å; L116-A120 PolarHBondContact O-N 3.45Å |
| 117 | E | 72 | Confident | 78.2 | Confident | 173 Ų | 173 | 82.1 Ų | 82.1 | 81% | 0.808 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -66.2 | -41 | 179.1 | -65.8 | -172.2 | 158.1 | 0 | 0 | 112.1 | P115 A120 E121 | P115-E117 VanDerWaalsContact C-N 3.25Å; P115-E117 PolarHBondContact O-N 3Å; E117-A120 PolarHBondContact O-N 3.22Å; E117-E121 PolarHBondContact O-N 3.46Å |
| 118 | L | 70.1 | Confident | 78.1 | Confident | 110 Ų | 110 | 82.2 Ų | 82.2 | 58% | 0.576 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -67.7 | -43.4 | 177.1 | -66.6 | 177.3 | 0 | 0 | 0 | 110.7 | P115 A120 E121 E122 | P115-L118 HydrophobicContact CB-CB 4.37Å; P115-L118 HydrophobicContact CB-CD1 4.04Å; P115-L118 HydrophobicContact CB-CG 4.4Å; P115-L118 PolarHBondContact O-N 3.27Å; L118-A120 VanDerWaalsContact C-N 3.34Å; L118-A120 PolarHBondContact O-N 3.25Å; L118-E121 PolarHBondContact O-N 2.94Å; L118-E122 WeakPolarHBondContact O-CG 3.01Å; L118-E122 PolarHBondContact O-N 3.33Å |
| 119 | L | 70.9 | Confident | 78.1 | Confident | 64 Ų | 64 | 81.1 Ų | 81.1 | 34% | 0.335 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61 | -42.9 | 176.3 | -67.2 | 174.5 | 0 | 0 | 0 | 111.5 | V114 P115 L116 E121 E122 E123 | V114-L119 HydrophobicContact CG1-CD1 3.71Å; P115-L119 PolarHBondContact O-N 3.44Å; L116-L119 PolarHBondContact O-N 3.37Å; L119-E121 PolarHBondContact O-N 3.49Å; L119-E122 PolarHBondContact O-N 3.46Å; L119-E123 WeakPolarHBondContact O-CG 3.35Å; L119-E123 PolarHBondContact O-N 2.88Å |
| 120 | A | 74.8 | Confident | 78.4 | Confident | 52 Ų | 52 | 78.9 Ų | 78.9 | 43% | 0.43 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -66 | -37.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L116 E117 L118 S124 | L116-A120 VanDerWaalsContact O-CB 3.32Å; L116-A120 WeakPolarHBondContact O-CB 3.37Å; L116-A120 PolarHBondContact O-N 3.45Å; E117-A120 PolarHBondContact O-N 3.22Å; L118-A120 VanDerWaalsContact C-N 3.34Å; L118-A120 PolarHBondContact O-N 3.25Å; A120-S124 VanDerWaalsContact O-CB 3.29Å; A120-S124 WeakPolarHBondContact O-CB 3.26Å; A120-S124 PolarHBondContact O-N 3.21Å |
| 121 | E | 74.9 | Confident | 78.6 | Confident | 144 Ų | 144 | 78.9 Ų | 78.9 | 67% | 0.673 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -65.5 | -43.5 | 173.9 | -171.7 | 176.1 | 166.4 | 0 | 0 | 111.2 | E117 L118 L119 S124 Y125 | E117-E121 PolarHBondContact O-N 3.46Å; L118-E121 PolarHBondContact O-N 2.94Å; L119-E121 PolarHBondContact O-N 3.49Å; E121-S124 PolarHBondContact O-N 3.18Å; E121-Y125 VanDerWaalsContact O-CB 3.3Å; E121-Y125 WeakPolarHBondContact O-CB 3.39Å; E121-Y125 PolarHBondContact O-N 2.86Å |
| 122 | E | 72.7 | Confident | 78.9 | Confident | 110 Ų | 110 | 81.7 Ų | 81.7 | 51% | 0.514 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.4 | -47.9 | 176 | -73.2 | -172.3 | 143.1 | 0 | 0 | 111.8 | L118 L119 S124 Y125 F126 | L118-E122 WeakPolarHBondContact O-CG 3.01Å; L118-E122 PolarHBondContact O-N 3.33Å; L119-E122 PolarHBondContact O-N 3.46Å; E122-S124 PolarHBondContact O-N 2.94Å; E122-Y125 WeakPolarHBondContact O-CB 3.34Å; E122-Y125 PolarHBondContact O-N 3.46Å; E122-F126 HydrophobicContact CB-CD2 4.41Å; E122-F126 HydrophobicContact CB-CE2 4.31Å; E122-F126 WeakPolarHBondContact O-CD2 3.12Å; E122-F126 PolarHBondContact O-N 3.5Å |
| 123 | E | 76.5 | Confident | 79.2 | Confident | 145 Ų | 145 | 82.4 Ų | 82.4 | 68% | 0.678 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -59 | -46.2 | 176.4 | -76.2 | -168 | 144.7 | 0 | 0 | 112.3 | L119 Y125 F126 S127 | L119-E123 WeakPolarHBondContact O-CG 3.35Å; L119-E123 PolarHBondContact O-N 2.88Å; E123-Y125 VanDerWaalsContact C-N 3.31Å; E123-Y125 PolarHBondContact O-N 3.15Å; E123-F126 PolarHBondContact O-N 2.91Å; E123-S127 WeakPolarHBondContact O-CB 3.48Å; E123-S127 PolarHBondContact O-N 3.44Å |
| 124 | S | 80.5 | Confident | 79.9 | Confident | 71 Ų | 71 | 82.1 Ų | 82.1 | 50% | 0.497 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61 | -41.2 | 176.7 | 172.7 | 0 | 0 | 0 | 0 | 111.7 | A120 E121 E122 T128 | A120-S124 VanDerWaalsContact O-CB 3.29Å; A120-S124 WeakPolarHBondContact O-CB 3.26Å; A120-S124 PolarHBondContact O-N 3.21Å; E121-S124 PolarHBondContact O-N 3.18Å; E122-S124 PolarHBondContact O-N 2.94Å; S124-T128 WeakPolarHBondContact O-CB 3.34Å; S124-T128 PolarHBondContact O-N 2.94Å; S124-T128 PolarHBondContact O-OG1 3.2Å |
| 125 | Y | 80.2 | Confident | 80.7 | Confident | 70 Ų | 70 | 83.2 Ų | 83.2 | 28% | 0.275 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64 | -50.4 | 176.5 | 171.1 | -95.8 | 0 | 0 | 0 | 111.8 | E121 E122 E123 S127 T128 V129 G355 L358 P359 | E121-Y125 VanDerWaalsContact O-CB 3.3Å; E121-Y125 WeakPolarHBondContact O-CB 3.39Å; E121-Y125 PolarHBondContact O-N 2.86Å; E122-Y125 WeakPolarHBondContact O-CB 3.34Å; E122-Y125 PolarHBondContact O-N 3.46Å; E123-Y125 VanDerWaalsContact C-N 3.31Å; E123-Y125 PolarHBondContact O-N 3.15Å; Y125-S127 VanDerWaalsContact C-N 3.35Å; Y125-S127 PolarHBondContact O-N 2.88Å; Y125-T128 PolarHBondContact O-N 3.39Å; Y125-V129 HydrophobicContact CE1-CG2 4.34Å; Y125-V129 HydrophobicContact CE2-CG2 4.39Å; Y125-V129 WeakPolarHBondContact O-CG2 3.06Å; Y125-V129 PolarHBondContact O-N 3.3Å; Y125-G355 WeakPolarHBondContact CE2-O 3.37Å; Y125-G355 WeakPolarHBondContact OH-CA 3.44Å; Y125-G355 PolarHBondContact OH-O 3.02Å; Y125-L358 HydrophobicContact CE1-CD2 4.09Å; Y125-P359 HydrophobicContact CE2-CG 3.93Å; Y125-P359 WeakPolarHBondContact OH-CD 3.39Å |
| 126 | F | 80.2 | Confident | 81.7 | Confident | 113 Ų | 113 | 80.8 Ų | 80.8 | 50% | 0.496 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64 | -38.7 | 178.4 | -75 | -65.2 | 0 | 0 | 0 | 112.3 | E122 E123 V129 K130 L358 | E122-F126 HydrophobicContact CB-CD2 4.41Å; E122-F126 HydrophobicContact CB-CE2 4.31Å; E122-F126 WeakPolarHBondContact O-CD2 3.12Å; E122-F126 PolarHBondContact O-N 3.5Å; E123-F126 PolarHBondContact O-N 2.91Å; F126-V129 PolarHBondContact O-N 3.4Å; F126-K130 WeakPolarHBondContact O-CB 3.12Å; F126-K130 PolarHBondContact O-N 3.19Å; F126-L358 HydrophobicContact CD1-CD2 4.4Å; F126-L358 HydrophobicContact CE1-CD2 3.9Å |
| 127 | S | 85 | Confident | 82.8 | Confident | 65 Ų | 65 | 75.3 Ų | 75.3 | 46% | 0.455 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.1 | -44.3 | 174.1 | -176.3 | 0 | 0 | 0 | 0 | 111.9 | E123 Y125 V129 K130 I131 | E123-S127 WeakPolarHBondContact O-CB 3.48Å; E123-S127 PolarHBondContact O-N 3.44Å; Y125-S127 VanDerWaalsContact C-N 3.35Å; Y125-S127 PolarHBondContact O-N 2.88Å; S127-V129 PolarHBondContact O-N 3.24Å; S127-K130 WeakPolarHBondContact O-CB 3.49Å; S127-K130 PolarHBondContact O-N 2.96Å; S127-I131 WeakPolarHBondContact O-CG1 3.45Å; S127-I131 PolarHBondContact O-N 3.5Å |
| 128 | T | 85.9 | Confident | 83.9 | Confident | 72 Ų | 72 | 69.4 Ų | 69.4 | 44% | 0.442 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62 | -46.2 | 176.3 | -59.6 | 0 | 0 | 0 | 0 | 111.5 | S124 Y125 K130 I131 I132 | S124-T128 WeakPolarHBondContact O-CB 3.34Å; S124-T128 PolarHBondContact O-N 2.94Å; S124-T128 PolarHBondContact O-OG1 3.2Å; Y125-T128 PolarHBondContact O-N 3.39Å; T128-K130 VanDerWaalsContact C-N 3.3Å; T128-K130 PolarHBondContact O-N 2.96Å; T128-I131 PolarHBondContact O-N 3.15Å; T128-I132 HydrophobicContact CG2-CD1 4.06Å; T128-I132 WeakPolarHBondContact O-CG1 3.29Å; T128-I132 PolarHBondContact O-N 3.48Å; T128-I132 VanDerWaalsContact O-N 3.1Å |
| 129 | V | 85.5 | Confident | 85.1 | Confident | 9 Ų | 9 | 67.6 Ų | 67.6 | 6% | 0.055 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60.6 | -41.7 | 176.5 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | Y125 F126 S127 I132 Y133 P359 L362 | Y125-V129 HydrophobicContact CE1-CG2 4.34Å; Y125-V129 HydrophobicContact CE2-CG2 4.39Å; Y125-V129 WeakPolarHBondContact O-CG2 3.06Å; Y125-V129 PolarHBondContact O-N 3.3Å; F126-V129 PolarHBondContact O-N 3.4Å; S127-V129 PolarHBondContact O-N 3.24Å; V129-I132 PolarHBondContact O-N 2.97Å; V129-Y133 HydrophobicContact CG1-CD1 4.15Å; V129-Y133 WeakPolarHBondContact O-CD1 3.32Å; V129-Y133 PolarHBondContact O-N 3.06Å; V129-P359 HydrophobicContact CG2-CB 4.19Å; V129-P359 HydrophobicContact CG2-CG 3.83Å; V129-L362 HydrophobicContact CG1-CD2 4.49Å |
| 130 | K | 87.5 | Confident | 86.3 | Confident | 59 Ų | 59 | 64.7 Ų | 64.7 | 26% | 0.257 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -57.7 | -47.6 | 175.8 | -179.6 | 170.3 | -179.2 | -176.9 | 0 | 113.3 | F126 S127 T128 I132 Y133 T134 F187 | F126-K130 WeakPolarHBondContact O-CB 3.12Å; F126-K130 PolarHBondContact O-N 3.19Å; S127-K130 WeakPolarHBondContact O-CB 3.49Å; S127-K130 PolarHBondContact O-N 2.96Å; T128-K130 VanDerWaalsContact C-N 3.3Å; T128-K130 PolarHBondContact O-N 2.96Å; K130-I132 VanDerWaalsContact C-N 3.35Å; K130-I132 PolarHBondContact O-N 3.38Å; K130-Y133 HydrophobicContact CB-CE1 3.95Å; K130-Y133 HydrophobicContact CG-CE1 4.23Å; K130-Y133 WeakPolarHBondContact CG-OH 3.5Å; K130-T134 WeakPolarHBondContact O-CB 3.41Å; K130-T134 PolarHBondContact O-N 3.33Å; K130-T134 PolarHBondContact O-OG1 3.39Å; K130-F187 HydrophobicContact CD-CE2 4.29Å |
| 131 | I | 88.5 | Confident | 87.4 | Confident | 104 Ų | 104 | 64.1 Ų | 64.1 | 53% | 0.533 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61 | -46.3 | 177.2 | -67.4 | 165.5 | 0 | 0 | 0 | 110.4 | S127 T128 T134 V135 | S127-I131 WeakPolarHBondContact O-CG1 3.45Å; S127-I131 PolarHBondContact O-N 3.5Å; T128-I131 PolarHBondContact O-N 3.15Å; I131-T134 PolarHBondContact O-N 3.32Å; I131-V135 HydrophobicContact CG2-CG2 4.4Å; I131-V135 WeakPolarHBondContact O-CB 3.38Å; I131-V135 VanDerWaalsContact O-CG2 3.28Å; I131-V135 WeakPolarHBondContact O-CG2 3.3Å; I131-V135 PolarHBondContact O-N 2.96Å |
| 132 | I | 89.3 | Confident | 88.4 | Confident | 68 Ų | 68 | 61.9 Ų | 61.9 | 35% | 0.349 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59.9 | -52.8 | -177.9 | -68.1 | 166.5 | 0 | 0 | 0 | 111.1 | T128 V129 K130 T134 G136 | T128-I132 HydrophobicContact CG2-CD1 4.06Å; T128-I132 WeakPolarHBondContact O-CG1 3.29Å; T128-I132 PolarHBondContact O-N 3.48Å; T128-I132 VanDerWaalsContact O-N 3.1Å; V129-I132 PolarHBondContact O-N 2.97Å; K130-I132 VanDerWaalsContact C-N 3.35Å; K130-I132 PolarHBondContact O-N 3.38Å; I132-T134 VanDerWaalsContact C-N 3.33Å; I132-T134 PolarHBondContact O-N 3.3Å; I132-G136 PolarHBondContact O-N 3.4Å |
| 133 | Y | 90.6 | Very high | 89.6 | Confident | 21 Ų | 21 | 57.1 Ų | 57.1 | 8% | 0.082 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -70.7 | -31.7 | -177.6 | 76.6 | -117.1 | 0 | 0 | 0 | 111.9 | V129 K130 G136 H137 V179 D183 L362 S366 | V129-Y133 HydrophobicContact CG1-CD1 4.15Å; V129-Y133 WeakPolarHBondContact O-CD1 3.32Å; V129-Y133 PolarHBondContact O-N 3.06Å; K130-Y133 HydrophobicContact CB-CE1 3.95Å; K130-Y133 HydrophobicContact CG-CE1 4.23Å; K130-Y133 WeakPolarHBondContact CG-OH 3.5Å; Y133-G136 PolarHBondContact O-N 2.97Å; Y133-H137 WeakPolarHBondContact O-CB 3.39Å; Y133-H137 PolarHBondContact O-CD2 3.44Å; Y133-H137 VanDerWaalsContact O-CD2 3.32Å; Y133-H137 PolarHBondContact O-N 3.17Å; Y133-V179 HydrophobicContact CD2-CG1 4.12Å; Y133-V179 HydrophobicContact CE2-CG1 3.74Å; Y133-D183 VanDerWaalsContact CE2-OD2 3.24Å; Y133-D183 WeakPolarHBondContact CE2-OD2 3.46Å; Y133-D183 VanDerWaalsContact OH-CG 3.24Å; Y133-D183 PolarHBondContact OH-OD1 3.41Å; Y133-D183 PolarHBondContact OH-OD2 3.15Å; Y133-D183 VanDerWaalsContact OH-OD2 3.1Å; Y133-L362 HydrophobicContact CD1-CB 4.47Å; Y133-L362 HydrophobicContact CD1-CD2 3.68Å; Y133-L362 HydrophobicContact CE1-CD2 4.04Å; Y133-L362 HydrophobicContact CG-CD2 4.34Å; Y133-S366 WeakPolarHBondContact O-CB 3.47Å |
| 134 | T | 92 | Very high | 90.5 | Very high | 44 Ų | 44 | 50.2 Ų | 50.2 | 27% | 0.27 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.9 | -46.2 | 178.1 | -65.5 | 0 | 0 | 0 | 0 | 110.8 | K130 I131 I132 S138 F180 | K130-T134 WeakPolarHBondContact O-CB 3.41Å; K130-T134 PolarHBondContact O-N 3.33Å; K130-T134 PolarHBondContact O-OG1 3.39Å; I131-T134 PolarHBondContact O-N 3.32Å; I132-T134 VanDerWaalsContact C-N 3.33Å; I132-T134 PolarHBondContact O-N 3.3Å; T134-S138 WeakPolarHBondContact O-CB 3.48Å; T134-S138 PolarHBondContact O-N 2.93Å; T134-S138 PolarHBondContact O-OG 3.47Å; T134-F180 HydrophobicContact CG2-CE1 4.06Å |
| 135 | V | 93.4 | Very high | 91.3 | Very high | 71 Ų | 71 | 53.2 Ų | 53.2 | 43% | 0.43 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62 | -45.8 | 174.8 | 170.5 | 0 | 0 | 0 | 0 | 110.1 | I131 S138 I139 | I131-V135 HydrophobicContact CG2-CG2 4.4Å; I131-V135 WeakPolarHBondContact O-CB 3.38Å; I131-V135 VanDerWaalsContact O-CG2 3.28Å; I131-V135 WeakPolarHBondContact O-CG2 3.3Å; I131-V135 PolarHBondContact O-N 2.96Å; V135-S138 PolarHBondContact O-N 3.18Å; V135-I139 HydrophobicContact CG1-CD1 3.8Å; V135-I139 WeakPolarHBondContact O-CG1 3.34Å; V135-I139 PolarHBondContact O-N 3.26Å |
| 136 | G | 93.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.1 | -45.8 | 179 | 0 | 0 | 0 | 0 | 0 | 113.5 | I132 Y133 S140 S366 | I132-G136 PolarHBondContact O-N 3.4Å; Y133-G136 PolarHBondContact O-N 2.97Å; G136-S140 WeakPolarHBondContact O-CB 3.13Å; G136-S140 PolarHBondContact O-N 2.99Å; G136-S140 PolarHBondContact O-OG 3.35Å; G136-S140 VanDerWaalsContact O-OG 3.09Å; G136-S366 CarbonylContact C-O 3.43Å |
| 137 | H | 94.3 | Very high | 92.8 | Very high | 16 Ų | 16 | 47.8 Ų | 47.8 | 7% | 0.074 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.8 | -39 | 176.7 | -82.8 | -50.7 | 0 | 0 | 0 | 112.8 | Y133 S140 I141 A176 F180 | Y133-H137 WeakPolarHBondContact O-CB 3.39Å; Y133-H137 PolarHBondContact O-CD2 3.44Å; Y133-H137 VanDerWaalsContact O-CD2 3.32Å; Y133-H137 PolarHBondContact O-N 3.17Å; H137-S140 PolarHBondContact O-N 3.29Å; H137-I141 WeakPolarHBondContact O-CG1 3.15Å; H137-I141 PolarHBondContact O-N 2.97Å; H137-A176 HydrophobicContact CB-CB 3.98Å; H137-F180 HydrophobicContact CB-CE1 4.12Å; H137-F180 HydrophobicContact CB-CZ 3.83Å |
| 138 | S | 95.6 | Very high | 93.3 | Very high | 50 Ų | 50 | 46.1 Ų | 46.1 | 35% | 0.35 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.5 | -49.2 | 176.8 | -60.3 | 0 | 0 | 0 | 0 | 111.6 | T134 V135 S140 I141 V142 | T134-S138 WeakPolarHBondContact O-CB 3.48Å; T134-S138 PolarHBondContact O-N 2.93Å; T134-S138 PolarHBondContact O-OG 3.47Å; V135-S138 PolarHBondContact O-N 3.18Å; S138-S140 VanDerWaalsContact C-N 3.33Å; S138-S140 PolarHBondContact O-N 3.35Å; S138-I141 PolarHBondContact O-N 3.46Å; S138-V142 WeakPolarHBondContact O-CG2 3.22Å; S138-V142 PolarHBondContact O-N 3.46Å; S138-V142 VanDerWaalsContact O-N 3.16Å |
| 139 | I | 95.8 | Very high | 93.8 | Very high | 71 Ų | 71 | 46.2 Ų | 46.2 | 36% | 0.364 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.2 | -44.3 | 176.9 | -67.9 | 168.5 | 0 | 0 | 0 | 110.5 | V135 V142 A143 F367 F370 | V135-I139 HydrophobicContact CG1-CD1 3.8Å; V135-I139 WeakPolarHBondContact O-CG1 3.34Å; V135-I139 PolarHBondContact O-N 3.26Å; I139-V142 PolarHBondContact O-N 2.97Å; I139-A143 WeakPolarHBondContact O-CB 3.5Å; I139-A143 PolarHBondContact O-N 3.06Å; I139-F367 HydrophobicContact CD1-CE1 4.2Å; I139-F370 HydrophobicContact CG2-CB 4.41Å; I139-F370 HydrophobicContact CG2-CD2 3.6Å; I139-F370 HydrophobicContact CG2-CE2 3.88Å; I139-F370 HydrophobicContact CG2-CG 3.96Å; I139-F370 HydrophobicContact CG2-CZ 4.43Å |
| 140 | S | 95.6 | Very high | 94.2 | Very high | 4 Ų | 4 | 47.4 Ų | 47.4 | 3% | 0.028 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.5 | -47.4 | 177 | -74 | 0 | 0 | 0 | 0 | 112.3 | G136 H137 S138 V142 A143 L144 S366 F370 | G136-S140 WeakPolarHBondContact O-CB 3.13Å; G136-S140 PolarHBondContact O-N 2.99Å; G136-S140 PolarHBondContact O-OG 3.35Å; G136-S140 VanDerWaalsContact O-OG 3.09Å; H137-S140 PolarHBondContact O-N 3.29Å; S138-S140 VanDerWaalsContact C-N 3.33Å; S138-S140 PolarHBondContact O-N 3.35Å; S140-V142 PolarHBondContact O-N 3.04Å; S140-A143 PolarHBondContact O-N 3.04Å; S140-L144 VanDerWaalsContact O-CB 3.26Å; S140-L144 WeakPolarHBondContact O-CB 3.14Å; S140-L144 WeakPolarHBondContact O-CD1 3.42Å; S140-L144 WeakPolarHBondContact O-CG 3.08Å; S140-L144 PolarHBondContact O-N 3.4Å; S140-S366 PolarHBondContact OG-O 3.23Å; S140-F370 WeakPolarHBondContact OG-CB 3.44Å; S140-F370 PolarHBondContact OG-N 2.99Å |
| 141 | I | 96.8 | Very high | 94.4 | Very high | 39 Ų | 39 | 44.8 Ų | 44.8 | 20% | 0.2 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.5 | -50.2 | 179.1 | -74.7 | 162.1 | 0 | 0 | 0 | 110.8 | H137 S138 A143 L144 F145 A176 F180 | H137-I141 WeakPolarHBondContact O-CG1 3.15Å; H137-I141 PolarHBondContact O-N 2.97Å; S138-I141 PolarHBondContact O-N 3.46Å; I141-A143 PolarHBondContact O-N 2.87Å; I141-L144 PolarHBondContact O-N 3.45Å; I141-F145 WeakPolarHBondContact O-CB 3.22Å; I141-F145 PolarHBondContact O-N 3.5Å; I141-A176 HydrophobicContact CD1-CB 3.46Å; I141-A176 VanDerWaalsContact CD1-CB 3.46Å; I141-A176 HydrophobicContact CG1-CB 3.59Å; I141-F180 HydrophobicContact CD1-CD2 4.09Å; I141-F180 HydrophobicContact CD1-CE2 3.46Å; I141-F180 VanDerWaalsContact CD1-CE2 3.46Å; I141-F180 HydrophobicContact CD1-CZ 4.31Å |
| 142 | V | 97.1 | Very high | 94.6 | Very high | 97 Ų | 97 | 43.6 Ų | 43.6 | 59% | 0.588 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -60.1 | -48 | -178.4 | 174.8 | 0 | 0 | 0 | 0 | 110.5 | S138 I139 S140 L144 F145 V146 | S138-V142 WeakPolarHBondContact O-CG2 3.22Å; S138-V142 PolarHBondContact O-N 3.46Å; S138-V142 VanDerWaalsContact O-N 3.16Å; I139-V142 PolarHBondContact O-N 2.97Å; S140-V142 PolarHBondContact O-N 3.04Å; V142-L144 PolarHBondContact O-N 3.47Å; V142-F145 PolarHBondContact O-N 3.25Å; V142-V146 WeakPolarHBondContact O-CG2 3.41Å; V142-V146 PolarHBondContact O-N 3.36Å; V142-V146 VanDerWaalsContact O-N 3.12Å |
| 143 | A | 96.9 | Very high | 94.7 | Very high | 11 Ų | 11 | 43.3 Ų | 43.3 | 9% | 0.091 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.8 | -42.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | I139 S140 I141 V146 A147 F370 A373 F378 | I139-A143 WeakPolarHBondContact O-CB 3.5Å; I139-A143 PolarHBondContact O-N 3.06Å; S140-A143 PolarHBondContact O-N 3.04Å; I141-A143 PolarHBondContact O-N 2.87Å; A143-V146 PolarHBondContact O-N 3.47Å; A143-A147 WeakPolarHBondContact O-CB 3.25Å; A143-A147 PolarHBondContact O-N 3.31Å; A143-F370 HydrophobicContact CB-CD2 3.67Å; A143-F370 HydrophobicContact CB-CE2 4.27Å; A143-A373 HydrophobicContact CB-CB 4.21Å; A143-F378 HydrophobicContact CB-CE2 4.27Å |
| 144 | L | 96.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68.2 | -39.8 | 179 | -71.8 | 165.7 | 0 | 0 | 0 | 111.9 | S140 I141 V142 V146 A147 I148 F169 F172 I173 A373 | S140-L144 VanDerWaalsContact O-CB 3.26Å; S140-L144 WeakPolarHBondContact O-CB 3.14Å; S140-L144 WeakPolarHBondContact O-CD1 3.42Å; S140-L144 WeakPolarHBondContact O-CG 3.08Å; S140-L144 PolarHBondContact O-N 3.4Å; I141-L144 PolarHBondContact O-N 3.45Å; V142-L144 PolarHBondContact O-N 3.47Å; L144-V146 VanDerWaalsContact C-N 3.34Å; L144-V146 PolarHBondContact O-N 3.38Å; L144-A147 PolarHBondContact O-N 3.43Å; L144-I148 WeakPolarHBondContact O-CB 3.32Å; L144-I148 WeakPolarHBondContact O-CG1 3.45Å; L144-I148 PolarHBondContact O-N 3.1Å; L144-F169 HydrophobicContact CD2-CB 3.75Å; L144-F169 HydrophobicContact CD2-CD1 3.81Å; L144-F169 HydrophobicContact CD2-CD2 4.31Å; L144-F169 HydrophobicContact CD2-CG 3.68Å; L144-F172 HydrophobicContact CD1-CB 3.41Å; L144-F172 VanDerWaalsContact CD1-CB 3.41Å; L144-F172 HydrophobicContact CD1-CG 4.35Å; L144-I173 HydrophobicContact CB-CD1 3.95Å; L144-I173 HydrophobicContact CB-CG1 3.86Å; L144-I173 HydrophobicContact CD1-CG1 4.1Å; L144-A373 HydrophobicContact CD2-CB 4Å; L144-A373 HydrophobicContact CG-CB 4.43Å |
| 145 | F | 97 | Very high | 94.6 | Very high | 134 Ų | 134 | 51.5 Ų | 51.5 | 59% | 0.588 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -62.2 | -44.1 | 177.1 | -159.3 | -84.7 | 0 | 0 | 0 | 111 | I141 V142 T149 | I141-F145 WeakPolarHBondContact O-CB 3.22Å; I141-F145 PolarHBondContact O-N 3.5Å; V142-F145 PolarHBondContact O-N 3.25Å; F145-T149 WeakPolarHBondContact O-CB 3.2Å; F145-T149 PolarHBondContact O-N 2.99Å; F145-T149 PolarHBondContact O-OG1 2.88Å |
| 146 | V | 96.6 | Very high | 94.3 | Very high | 68 Ų | 68 | 56.6 Ų | 56.6 | 41% | 0.412 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.1 | -44.8 | 173.3 | 175.1 | 0 | 0 | 0 | 0 | 110.9 | V142 A143 L144 T149 I150 F378 | V142-V146 WeakPolarHBondContact O-CG2 3.41Å; V142-V146 PolarHBondContact O-N 3.36Å; V142-V146 VanDerWaalsContact O-N 3.12Å; A143-V146 PolarHBondContact O-N 3.47Å; L144-V146 VanDerWaalsContact C-N 3.34Å; L144-V146 PolarHBondContact O-N 3.38Å; V146-T149 WeakPolarHBondContact O-CB 3.39Å; V146-T149 PolarHBondContact O-N 2.91Å; V146-I150 HydrophobicContact CG1-CD1 3.91Å; V146-I150 WeakPolarHBondContact O-CG1 3.34Å; V146-I150 PolarHBondContact O-N 3.06Å; V146-F378 HydrophobicContact CB-CZ 4.3Å; V146-F378 HydrophobicContact CG1-CE1 3.98Å; V146-F378 HydrophobicContact CG1-CZ 4.04Å |
| 147 | A | 95.7 | Very high | 94 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.1 | -46.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | A143 L144 T149 I150 L151 F169 A373 C377 F378 | A143-A147 WeakPolarHBondContact O-CB 3.25Å; A143-A147 PolarHBondContact O-N 3.31Å; L144-A147 PolarHBondContact O-N 3.43Å; A147-T149 VanDerWaalsContact C-N 3.31Å; A147-T149 PolarHBondContact O-N 2.97Å; A147-I150 PolarHBondContact O-N 3.12Å; A147-L151 WeakPolarHBondContact O-CG 3.35Å; A147-L151 PolarHBondContact O-N 3.01Å; A147-F169 HydrophobicContact CB-CD2 4.12Å; A147-F169 HydrophobicContact CB-CE2 3.93Å; A147-A373 HydrophobicContact CB-CB 4.23Å; A147-C377 HydrophobicContact CB-CB 3.71Å; A147-F378 HydrophobicContact CB-CZ 4.4Å |
| 148 | I | 95.7 | Very high | 93.7 | Very high | 30 Ų | 30 | 61.6 Ų | 61.6 | 15% | 0.154 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58.9 | -45.7 | 174.7 | -69.6 | 174.5 | 0 | 0 | 0 | 109.9 | L144 I150 L151 V152 T166 F169 I173 | L144-I148 WeakPolarHBondContact O-CB 3.32Å; L144-I148 WeakPolarHBondContact O-CG1 3.45Å; L144-I148 PolarHBondContact O-N 3.1Å; I148-I150 VanDerWaalsContact C-N 3.31Å; I148-I150 PolarHBondContact O-N 3.16Å; I148-L151 PolarHBondContact O-N 3.41Å; I148-V152 HydrophobicContact CG2-CG2 4.06Å; I148-V152 WeakPolarHBondContact O-CB 3.22Å; I148-V152 VanDerWaalsContact O-CG2 3.29Å; I148-V152 WeakPolarHBondContact O-CG2 3.35Å; I148-V152 PolarHBondContact O-N 2.85Å; I148-T166 HydrophobicContact CG1-CG2 4.48Å; I148-T166 HydrophobicContact CG2-CG2 4.21Å; I148-F169 HydrophobicContact CD1-CB 3.76Å; I148-F169 HydrophobicContact CG1-CB 3.7Å; I148-F169 HydrophobicContact CG1-CD2 3.92Å; I148-F169 HydrophobicContact CG1-CG 4.35Å; I148-I173 HydrophobicContact CD1-CD1 3.58Å |
| 149 | T | 95 | Very high | 93.2 | Very high | 74 Ų | 74 | 59.8 Ų | 59.8 | 45% | 0.454 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -58.6 | -43.7 | 179.3 | -59.2 | 0 | 0 | 0 | 0 | 111.4 | F145 V146 A147 A153 | F145-T149 WeakPolarHBondContact O-CB 3.2Å; F145-T149 PolarHBondContact O-N 2.99Å; F145-T149 PolarHBondContact O-OG1 2.88Å; V146-T149 WeakPolarHBondContact O-CB 3.39Å; V146-T149 PolarHBondContact O-N 2.91Å; A147-T149 VanDerWaalsContact C-N 3.31Å; A147-T149 PolarHBondContact O-N 2.97Å; T149-A153 WeakPolarHBondContact O-CB 3.38Å; T149-A153 PolarHBondContact O-N 2.83Å |
| 150 | I | 93.9 | Very high | 92.8 | Very high | 35 Ų | 35 | 60 Ų | 60 | 18% | 0.179 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.8 | -49.7 | 176.5 | -68.3 | 166.2 | 0 | 0 | 0 | 111.2 | V146 A147 I148 V152 A153 L154 F378 V383 I387 | V146-I150 HydrophobicContact CG1-CD1 3.91Å; V146-I150 WeakPolarHBondContact O-CG1 3.34Å; V146-I150 PolarHBondContact O-N 3.06Å; A147-I150 PolarHBondContact O-N 3.12Å; I148-I150 VanDerWaalsContact C-N 3.31Å; I148-I150 PolarHBondContact O-N 3.16Å; I150-V152 VanDerWaalsContact C-N 3.34Å; I150-V152 PolarHBondContact O-N 2.99Å; I150-A153 PolarHBondContact O-N 3.12Å; I150-L154 HydrophobicContact CG2-CD1 3.96Å; I150-L154 WeakPolarHBondContact O-CG 3.06Å; I150-L154 PolarHBondContact O-N 3.49Å; I150-F378 HydrophobicContact CD1-CD1 4.38Å; I150-F378 HydrophobicContact CD1-CE1 3.88Å; I150-V383 HydrophobicContact CG2-CG1 3.75Å; I150-I387 HydrophobicContact CG2-CD1 4.2Å |
| 151 | L | 92.7 | Very high | 92.4 | Very high | 3 Ų | 3 | 62.5 Ų | 62.5 | 2% | 0.016 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.7 | -36.7 | -177.8 | -68.7 | -179.2 | 0 | 0 | 0 | 112.5 | A147 I148 L157 H158 F169 V383 | A147-L151 WeakPolarHBondContact O-CG 3.35Å; A147-L151 PolarHBondContact O-N 3.01Å; I148-L151 PolarHBondContact O-N 3.41Å; L151-L157 HydrophobicContact CD2-CD1 4.05Å; L151-H158 PolarHBondContact O-CD2 3.15Å; L151-F169 HydrophobicContact CD1-CD2 4.28Å; L151-F169 HydrophobicContact CD1-CE2 3.65Å; L151-F169 HydrophobicContact CD1-CZ 4.45Å; L151-V383 HydrophobicContact CD2-CG2 4.31Å |
| 152 | V | 92.5 | Very high | 92.1 | Very high | 80 Ų | 80 | 60.9 Ų | 60.9 | 49% | 0.485 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -76.3 | -41 | 178.8 | 173.7 | 0 | 0 | 0 | 0 | 111.3 | I148 I150 L154 H158 | I148-V152 HydrophobicContact CG2-CG2 4.06Å; I148-V152 WeakPolarHBondContact O-CB 3.22Å; I148-V152 VanDerWaalsContact O-CG2 3.29Å; I148-V152 WeakPolarHBondContact O-CG2 3.35Å; I148-V152 PolarHBondContact O-N 2.85Å; I150-V152 VanDerWaalsContact C-N 3.34Å; I150-V152 PolarHBondContact O-N 2.99Å; V152-L154 PolarHBondContact O-N 3.04Å; V152-H158 PolarHBondContact O-CE1 2.78Å; V152-H158 PolarHBondContact O-NE2 3.42Å |
| 153 | A | 92 | Very high | 91.8 | Very high | 61 Ų | 61 | 61 Ų | 61 | 50% | 0.504 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -70.5 | -28.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | T149 I150 R155 | T149-A153 WeakPolarHBondContact O-CB 3.38Å; T149-A153 PolarHBondContact O-N 2.83Å; I150-A153 PolarHBondContact O-N 3.12Å; A153-R155 PolarHBondContact O-N 2.76Å |
| 154 | L | 90.5 | Very high | 91.5 | Very high | 20 Ų | 20 | 60.6 Ų | 60.6 | 11% | 0.105 | 29% | 0.294 | C | S | . | . | trans | -94.7 | 93.8 | -179 | -62.5 | 177.6 | 0 | 0 | 0 | 110.7 | I150 V152 R156 L157 E386 I387 K390 | I150-L154 HydrophobicContact CG2-CD1 3.96Å; I150-L154 WeakPolarHBondContact O-CG 3.06Å; I150-L154 PolarHBondContact O-N 3.49Å; V152-L154 PolarHBondContact O-N 3.04Å; L154-R156 PolarHBondContact O-N 3.47Å; L154-L157 HydrophobicContact CB-CB 4.41Å; L154-L157 HydrophobicContact CB-CD1 3.81Å; L154-L157 HydrophobicContact CB-CG 3.98Å; L154-L157 HydrophobicContact CD1-CD1 3.67Å; L154-L157 HydrophobicContact CD1-CG 4.49Å; L154-L157 HydrophobicContact CG-CD1 4.36Å; L154-L157 WeakPolarHBondContact O-CB 3.5Å; L154-L157 PolarHBondContact O-N 3.47Å; L154-E386 HydrophobicContact CD1-CB 4.27Å; L154-I387 HydrophobicContact CD1-CG1 4.16Å; L154-K390 HydrophobicContact CD2-CD 3.72Å | ||
| 155 | R | 88.9 | Confident | 91.3 | Very high | 217 Ų | 217 | 61.2 Ų | 61.2 | 82% | 0.819 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -51 | -30.4 | -179.4 | -65.1 | -176 | -174 | 168.3 | 1.7 | 114.7 | A153 L157 H158 | A153-R155 PolarHBondContact O-N 2.76Å; R155-L157 PolarHBondContact O-N 3.23Å; R155-H158 WeakPolarHBondContact O-CB 3.43Å; R155-H158 PolarHBondContact O-N 3.14Å |
| 156 | R | 86.7 | Confident | 91.1 | Very high | 179 Ų | 179 | 56 Ų | 56 | 68% | 0.675 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -67.1 | -20.9 | 178.4 | -72.1 | -80.6 | -172.2 | -175.1 | 0.5 | 113.2 | L154 E386 | L154-R156 PolarHBondContact O-N 3.47Å; R156-E386 VanDerWaalsContact CB-OE2 3.3Å; R156-E386 WeakPolarHBondContact CB-OE2 3.32Å |
| 157 | L | 88 | Confident | 91 | Very high | 5 Ų | 5 | 54.1 Ų | 54.1 | 3% | 0.026 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -91.4 | 5.5 | 176.5 | -58.7 | -179.9 | 0 | 0 | 0 | 112.4 | L151 L154 R155 C159 N162 E382 V383 E386 | L151-L157 HydrophobicContact CD2-CD1 4.05Å; L154-L157 HydrophobicContact CB-CB 4.41Å; L154-L157 HydrophobicContact CB-CD1 3.81Å; L154-L157 HydrophobicContact CB-CG 3.98Å; L154-L157 HydrophobicContact CD1-CD1 3.67Å; L154-L157 HydrophobicContact CD1-CG 4.49Å; L154-L157 HydrophobicContact CG-CD1 4.36Å; L154-L157 WeakPolarHBondContact O-CB 3.5Å; L154-L157 PolarHBondContact O-N 3.47Å; R155-L157 PolarHBondContact O-N 3.23Å; L157-C159 PolarHBondContact O-N 3.39Å; L157-C159 PolarHBondContact O-SG 2.85Å; L157-N162 WeakPolarHBondContact O-CB 3.48Å; L157-N162 PolarHBondContact O-ND2 2.97Å; L157-E382 HydrophobicContact CD2-CB 4.49Å; L157-V383 HydrophobicContact CD1-CB 4.48Å; L157-V383 HydrophobicContact CD1-CG1 4.42Å; L157-V383 HydrophobicContact CD1-CG2 3.96Å; L157-E386 HydrophobicContact CD2-CG 4.08Å |
| 158 | H | 87.6 | Confident | 90.9 | Very high | 116 Ų | 116 | 54.1 Ų | 54.1 | 54% | 0.537 | 26% | 0.262 | S | S | . | . | trans | -78.7 | 84.3 | 178.5 | -71.1 | 172.6 | 0 | 0 | 0 | 111.9 | L151 V152 R155 | L151-H158 PolarHBondContact O-CD2 3.15Å; V152-H158 PolarHBondContact O-CE1 2.78Å; V152-H158 PolarHBondContact O-NE2 3.42Å; R155-H158 WeakPolarHBondContact O-CB 3.43Å; R155-H158 PolarHBondContact O-N 3.14Å | ||
| 159 | C | 86.3 | Confident | 90.9 | Very high | 12 Ų | 12 | 52.7 Ų | 52.7 | 8% | 0.081 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -129.2 | 153.5 | -176.2 | -25.3 | 0 | 0 | 0 | 0 | 109.1 | L157 R161 N162 Y163 C423 | L157-C159 PolarHBondContact O-N 3.39Å; L157-C159 PolarHBondContact O-SG 2.85Å; C159-R161 PolarHBondContact O-N 3.5Å; C159-R161 VanDerWaalsContact O-N 3.12Å; C159-N162 PolarHBondContact O-N 2.84Å; C159-Y163 PolarHBondContact O-N 3.47Å; C159-C423 HydrophobicContact CB-CB 3.75Å; C159-C423 WeakPolarHBondContact CB-SG 3.38Å; C159-C423 WeakPolarHBondContact SG-CB 3.43Å; C159-C423 CovalentContact SG-SG 1.97Å; C159-C423 PolarHBondContact SG-SG 3.32Å |
| 160 | P | 86.3 | Confident | 90.9 | Very high | 75 Ų | 75 | 51.7 Ų | 51.7 | 49% | 0.487 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -54.2 | -36.3 | -178.9 | -27 | 34.9 | 0 | 0 | 0 | 113.3 | Y163 V164 F242 | P160-Y163 WeakPolarHBondContact O-CB 3.46Å; P160-Y163 PolarHBondContact O-N 3.49Å; P160-V164 WeakPolarHBondContact O-CG2 3.45Å; P160-V164 PolarHBondContact O-N 3.34Å; P160-F242 HydrophobicContact CB-CD2 4.48Å; P160-F242 HydrophobicContact CB-CE2 4.24Å |
| 161 | R | 86.7 | Confident | 91 | Very high | 57 Ų | 57 | 50 Ų | 50 | 22% | 0.215 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.7 | -52.6 | 173.3 | -176.2 | -168.6 | -59.7 | 126.2 | 7.7 | 112.4 | C159 Y163 V164 H165 Y226 S421 | C159-R161 PolarHBondContact O-N 3.5Å; C159-R161 VanDerWaalsContact O-N 3.12Å; R161-Y163 PolarHBondContact O-N 2.95Å; R161-V164 WeakPolarHBondContact O-CB 3.28Å; R161-V164 PolarHBondContact O-N 3.12Å; R161-V164 VanDerWaalsContact O-N 3.1Å; R161-H165 VanDerWaalsContact CG-NE2 3.35Å; R161-H165 WeakPolarHBondContact CG-NE2 3.36Å; R161-H165 PolarHBondContact O-CD2 2.92Å; R161-H165 VanDerWaalsContact O-CD2 3.29Å; R161-H165 PolarHBondContact O-N 3.33Å; R161-Y226 HydrophobicContact CB-CE1 4.11Å; R161-Y226 HydrophobicContact CG-CE1 4.44Å; R161-S421 PolarHBondContact NH2-OG 3.47Å |
| 162 | N | 91 | Very high | 91.1 | Very high | 5 Ų | 5 | 50.4 Ų | 50.4 | 3% | 0.027 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.8 | -27.8 | -179.5 | -68.1 | -11.7 | 0 | 0 | 0 | 111.8 | L157 C159 H165 T166 | L157-N162 WeakPolarHBondContact O-CB 3.48Å; L157-N162 PolarHBondContact O-ND2 2.97Å; C159-N162 PolarHBondContact O-N 2.84Å; N162-H165 PolarHBondContact O-N 2.91Å; N162-T166 WeakPolarHBondContact O-CB 3.28Å; N162-T166 PolarHBondContact O-N 3.04Å; N162-T166 PolarHBondContact O-OG1 3.31Å |
| 163 | Y | 91.1 | Very high | 91.3 | Very high | 100 Ų | 100 | 48.6 Ų | 48.6 | 39% | 0.392 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.4 | -45 | 169.3 | -177.8 | -90.8 | 0 | 0 | 0 | 111.9 | C159 P160 R161 H165 T166 Q167 F242 V246 | C159-Y163 PolarHBondContact O-N 3.47Å; P160-Y163 WeakPolarHBondContact O-CB 3.46Å; P160-Y163 PolarHBondContact O-N 3.49Å; R161-Y163 PolarHBondContact O-N 2.95Å; Y163-H165 VanDerWaalsContact C-N 3.32Å; Y163-H165 PolarHBondContact O-N 3.32Å; Y163-T166 PolarHBondContact O-N 2.86Å; Y163-Q167 HydrophobicContact CD1-CG 4.06Å; Y163-Q167 HydrophobicContact CE1-CG 3.72Å; Y163-Q167 WeakPolarHBondContact O-CG 3.34Å; Y163-Q167 PolarHBondContact O-N 3.12Å; Y163-Q167 PolarHBondContact OH-NE2 3.49Å; Y163-F242 HydrophobicContact CD1-CE2 4.06Å; Y163-F242 AromaticContact CD1-CZ 3.46Å; Y163-F242 HydrophobicContact CD1-CZ 3.46Å; Y163-F242 VanDerWaalsContact CD1-CZ 3.46Å; Y163-F242 AromaticContact CE1-CZ 3.83Å; Y163-F242 HydrophobicContact CE1-CZ 3.83Å; Y163-F242 HydrophobicContact CG-CZ 4.27Å; Y163-V246 HydrophobicContact CE1-CG2 4.21Å |
| 164 | V | 90.9 | Very high | 91.5 | Very high | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.012 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.1 | -44.1 | 173.9 | 175.1 | 0 | 0 | 0 | 0 | 110.7 | P160 R161 T166 Q167 L168 W219 E223 Y226 F242 | P160-V164 WeakPolarHBondContact O-CG2 3.45Å; P160-V164 PolarHBondContact O-N 3.34Å; R161-V164 WeakPolarHBondContact O-CB 3.28Å; R161-V164 PolarHBondContact O-N 3.12Å; R161-V164 VanDerWaalsContact O-N 3.1Å; V164-T166 PolarHBondContact O-N 3.29Å; V164-Q167 PolarHBondContact O-N 3.22Å; V164-L168 WeakPolarHBondContact O-CB 3.35Å; V164-L168 PolarHBondContact O-N 3.24Å; V164-W219 HydrophobicContact CG1-CZ3 4.44Å; V164-E223 HydrophobicContact CG1-CB 4.09Å; V164-E223 HydrophobicContact CG1-CG 4.31Å; V164-Y226 HydrophobicContact CG2-CD1 4.32Å; V164-Y226 HydrophobicContact CG2-CG 4.3Å; V164-F242 HydrophobicContact CG2-CD2 4.46Å; V164-F242 HydrophobicContact CG2-CE2 3.91Å |
| 165 | H | 92 | Very high | 91.7 | Very high | 13 Ų | 13 | 49.3 Ų | 49.3 | 6% | 0.06 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.7 | -43.5 | 175.6 | -62.9 | -45.3 | 0 | 0 | 0 | 112.4 | R161 N162 Y163 Q167 L168 F169 E223 Y376 | R161-H165 VanDerWaalsContact CG-NE2 3.35Å; R161-H165 WeakPolarHBondContact CG-NE2 3.36Å; R161-H165 PolarHBondContact O-CD2 2.92Å; R161-H165 VanDerWaalsContact O-CD2 3.29Å; R161-H165 PolarHBondContact O-N 3.33Å; N162-H165 PolarHBondContact O-N 2.91Å; Y163-H165 VanDerWaalsContact C-N 3.32Å; Y163-H165 PolarHBondContact O-N 3.32Å; H165-Q167 VanDerWaalsContact C-N 3.34Å; H165-Q167 PolarHBondContact O-N 3.04Å; H165-L168 WeakPolarHBondContact O-CB 3.48Å; H165-L168 PolarHBondContact O-N 3.49Å; H165-F169 HydrophobicContact CB-CE1 4.14Å; H165-F169 HydrophobicContact CB-CZ 4.01Å; H165-F169 WeakPolarHBondContact O-CB 3.5Å; H165-F169 WeakPolarHBondContact O-CD1 3.37Å; H165-F169 WeakPolarHBondContact O-CG 3.34Å; H165-F169 PolarHBondContact O-N 2.88Å; H165-E223 IonicContact CE1-OE1 2.68Å; H165-E223 PolarHBondContact CE1-OE1 3.47Å; H165-E223 IonicContact ND1-OE1 3.2Å; H165-E223 PolarHBondContact ND1-OE1 3.43Å; H165-Y376 AromaticContact CE1-CD1 3.77Å; H165-Y376 AromaticContact CE1-CD2 3.95Å; H165-Y376 AromaticContact CE1-CE1 3.74Å; H165-Y376 AromaticContact CE1-CE2 3.9Å; H165-Y376 AromaticContact CE1-CG 3.88Å; H165-Y376 AromaticContact CE1-CZ 3.77Å; H165-Y376 AromaticContact ND1-CD2 3.8Å; H165-Y376 AromaticContact ND1-CE2 3.94Å; H165-Y376 AromaticContact ND1-CG 4Å |
| 166 | T | 93.2 | Very high | 92 | Very high | 23 Ų | 23 | 39 Ų | 39 | 14% | 0.141 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.9 | -40.4 | 176.2 | -62.3 | 0 | 0 | 0 | 0 | 112.3 | I148 N162 Y163 V164 F169 T170 | I148-T166 HydrophobicContact CG1-CG2 4.48Å; I148-T166 HydrophobicContact CG2-CG2 4.21Å; N162-T166 WeakPolarHBondContact O-CB 3.28Å; N162-T166 PolarHBondContact O-N 3.04Å; N162-T166 PolarHBondContact O-OG1 3.31Å; Y163-T166 PolarHBondContact O-N 2.86Å; V164-T166 PolarHBondContact O-N 3.29Å; T166-F169 PolarHBondContact O-N 3.21Å; T166-T170 PolarHBondContact O-N 2.96Å; T166-T170 PolarHBondContact O-OG1 2.68Å |
| 167 | Q | 94.8 | Very high | 92.4 | Very high | 30 Ų | 30 | 32.1 Ų | 32.1 | 14% | 0.14 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.6 | -47.5 | 174.7 | -69.1 | -66.3 | -26.8 | 0 | 0 | 110.6 | Y163 V164 H165 F169 T170 T171 W219 | Y163-Q167 HydrophobicContact CD1-CG 4.06Å; Y163-Q167 HydrophobicContact CE1-CG 3.72Å; Y163-Q167 WeakPolarHBondContact O-CG 3.34Å; Y163-Q167 PolarHBondContact O-N 3.12Å; Y163-Q167 PolarHBondContact OH-NE2 3.49Å; V164-Q167 PolarHBondContact O-N 3.22Å; H165-Q167 VanDerWaalsContact C-N 3.34Å; H165-Q167 PolarHBondContact O-N 3.04Å; Q167-F169 VanDerWaalsContact C-N 3.34Å; Q167-F169 PolarHBondContact O-N 3.06Å; Q167-T170 WeakPolarHBondContact O-CB 3.13Å; Q167-T170 PolarHBondContact O-N 3.37Å; Q167-T170 VanDerWaalsContact O-N 3.15Å; Q167-T171 WeakPolarHBondContact O-CG2 3.37Å; Q167-T171 PolarHBondContact O-N 3.24Å; Q167-W219 HydrophobicContact CB-CD2 3.96Å; Q167-W219 HydrophobicContact CB-CE3 3.63Å; Q167-W219 HydrophobicContact CB-CH2 3.45Å; Q167-W219 VanDerWaalsContact CB-CH2 3.45Å; Q167-W219 HydrophobicContact CB-CZ2 3.8Å; Q167-W219 HydrophobicContact CB-CZ3 3.35Å; Q167-W219 HydrophobicContact CG-CH2 3.56Å; Q167-W219 HydrophobicContact CG-CZ2 4.02Å; Q167-W219 HydrophobicContact CG-CZ3 3.9Å |
| 168 | L | 93.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57.5 | -45.1 | 175.4 | 179.8 | 67.3 | 0 | 0 | 0 | 112.1 | V164 H165 T170 T171 F172 W219 L220 E223 V372 | V164-L168 WeakPolarHBondContact O-CB 3.35Å; V164-L168 PolarHBondContact O-N 3.24Å; H165-L168 WeakPolarHBondContact O-CB 3.48Å; H165-L168 PolarHBondContact O-N 3.49Å; L168-T170 VanDerWaalsContact C-N 3.3Å; L168-T170 PolarHBondContact O-N 2.86Å; L168-T171 PolarHBondContact O-N 2.87Å; L168-T171 VanDerWaalsContact O-N 3.07Å; L168-T171 PolarHBondContact O-OG1 3.47Å; L168-F172 HydrophobicContact CD1-CD2 4.33Å; L168-F172 HydrophobicContact CD1-CE2 3.82Å; L168-F172 HydrophobicContact CD2-CE2 4.2Å; L168-F172 HydrophobicContact CG-CD2 4.11Å; L168-F172 HydrophobicContact CG-CE2 3.76Å; L168-F172 WeakPolarHBondContact O-CD2 3.45Å; L168-F172 PolarHBondContact O-N 3.27Å; L168-F172 VanDerWaalsContact O-N 3.14Å; L168-W219 HydrophobicContact CD1-CB 4.02Å; L168-L220 HydrophobicContact CD1-CD2 3.7Å; L168-L220 HydrophobicContact CD1-CG 3.95Å; L168-L220 HydrophobicContact CD2-CD2 4.29Å; L168-E223 WeakPolarHBondContact CD2-OE2 3.05Å; L168-V372 HydrophobicContact CD2-CG1 4.24Å |
| 169 | F | 95.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.7 | -41.1 | 178 | -63.7 | -2 | 0 | 0 | 0 | 111.3 | L144 A147 I148 L151 H165 T166 Q167 T171 F172 I173 V372 Y376 | L144-F169 HydrophobicContact CD2-CB 3.75Å; L144-F169 HydrophobicContact CD2-CD1 3.81Å; L144-F169 HydrophobicContact CD2-CD2 4.31Å; L144-F169 HydrophobicContact CD2-CG 3.68Å; A147-F169 HydrophobicContact CB-CD2 4.12Å; A147-F169 HydrophobicContact CB-CE2 3.93Å; I148-F169 HydrophobicContact CD1-CB 3.76Å; I148-F169 HydrophobicContact CG1-CB 3.7Å; I148-F169 HydrophobicContact CG1-CD2 3.92Å; I148-F169 HydrophobicContact CG1-CG 4.35Å; L151-F169 HydrophobicContact CD1-CD2 4.28Å; L151-F169 HydrophobicContact CD1-CE2 3.65Å; L151-F169 HydrophobicContact CD1-CZ 4.45Å; H165-F169 HydrophobicContact CB-CE1 4.14Å; H165-F169 HydrophobicContact CB-CZ 4.01Å; H165-F169 WeakPolarHBondContact O-CB 3.5Å; H165-F169 WeakPolarHBondContact O-CD1 3.37Å; H165-F169 WeakPolarHBondContact O-CG 3.34Å; H165-F169 PolarHBondContact O-N 2.88Å; T166-F169 PolarHBondContact O-N 3.21Å; Q167-F169 VanDerWaalsContact C-N 3.34Å; Q167-F169 PolarHBondContact O-N 3.06Å; F169-T171 VanDerWaalsContact C-N 3.28Å; F169-T171 PolarHBondContact O-N 3.49Å; F169-F172 PolarHBondContact O-N 3.29Å; F169-I173 WeakPolarHBondContact O-CG1 3.39Å; F169-I173 PolarHBondContact O-N 3.26Å; F169-I173 VanDerWaalsContact O-N 3.07Å; F169-V372 HydrophobicContact CD1-CG1 4Å; F169-V372 HydrophobicContact CE1-CG1 3.47Å; F169-V372 VanDerWaalsContact CE1-CG1 3.47Å; F169-V372 HydrophobicContact CZ-CG1 4.46Å; F169-Y376 HydrophobicContact CE1-CD2 4.35Å |
| 170 | T | 95.5 | Very high | 93.2 | Very high | 53 Ų | 53 | 30.3 Ų | 30.3 | 33% | 0.325 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -58.6 | -40.3 | 173.8 | -54.2 | 0 | 0 | 0 | 0 | 111.2 | T166 Q167 L168 F172 I173 L174 | T166-T170 PolarHBondContact O-N 2.96Å; T166-T170 PolarHBondContact O-OG1 2.68Å; Q167-T170 WeakPolarHBondContact O-CB 3.13Å; Q167-T170 PolarHBondContact O-N 3.37Å; Q167-T170 VanDerWaalsContact O-N 3.15Å; L168-T170 VanDerWaalsContact C-N 3.3Å; L168-T170 PolarHBondContact O-N 2.86Å; T170-F172 PolarHBondContact O-N 3.07Å; T170-I173 PolarHBondContact O-N 3.1Å; T170-L174 WeakPolarHBondContact O-CB 3.45Å; T170-L174 PolarHBondContact O-N 3.47Å |
| 171 | T | 95.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.8 | -34.3 | 177.2 | 71.8 | 0 | 0 | 0 | 0 | 113.7 | Q167 L168 F169 L174 K175 T215 N216 W219 W250 | Q167-T171 WeakPolarHBondContact O-CG2 3.37Å; Q167-T171 PolarHBondContact O-N 3.24Å; L168-T171 PolarHBondContact O-N 2.87Å; L168-T171 VanDerWaalsContact O-N 3.07Å; L168-T171 PolarHBondContact O-OG1 3.47Å; F169-T171 VanDerWaalsContact C-N 3.28Å; F169-T171 PolarHBondContact O-N 3.49Å; T171-L174 PolarHBondContact O-N 3.26Å; T171-K175 WeakPolarHBondContact O-CB 3.45Å; T171-K175 PolarHBondContact O-N 3.36Å; T171-T215 HydrophobicContact CG2-CG2 3.78Å; T171-N216 PolarHBondContact OG1-ND2 3.36Å; T171-N216 VanDerWaalsContact OG1-ND2 3.12Å; T171-W219 HydrophobicContact CG2-CB 3.82Å; T171-W219 HydrophobicContact CG2-CD2 4.48Å; T171-W219 HydrophobicContact CG2-CG 3.57Å; T171-W250 HydrophobicContact CG2-CH2 4.36Å; T171-W250 HydrophobicContact CG2-CZ2 4.46Å |
| 172 | F | 94.9 | Very high | 93.4 | Very high | 10 Ų | 10 | 29.6 Ų | 29.6 | 4% | 0.044 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -68 | -39.3 | 174.3 | -80.1 | -68 | 0 | 0 | 0 | 111.8 | L144 L168 F169 T170 K175 A176 N216 L220 Q368 V372 | L144-F172 HydrophobicContact CD1-CB 3.41Å; L144-F172 VanDerWaalsContact CD1-CB 3.41Å; L144-F172 HydrophobicContact CD1-CG 4.35Å; L168-F172 HydrophobicContact CD1-CD2 4.33Å; L168-F172 HydrophobicContact CD1-CE2 3.82Å; L168-F172 HydrophobicContact CD2-CE2 4.2Å; L168-F172 HydrophobicContact CG-CD2 4.11Å; L168-F172 HydrophobicContact CG-CE2 3.76Å; L168-F172 WeakPolarHBondContact O-CD2 3.45Å; L168-F172 PolarHBondContact O-N 3.27Å; L168-F172 VanDerWaalsContact O-N 3.14Å; F169-F172 PolarHBondContact O-N 3.29Å; T170-F172 PolarHBondContact O-N 3.07Å; F172-K175 PolarHBondContact O-N 3.02Å; F172-A176 WeakPolarHBondContact O-CB 3.22Å; F172-A176 PolarHBondContact O-N 3.38Å; F172-N216 WeakPolarHBondContact CD1-ND2 3.45Å; F172-N216 VanDerWaalsContact CE1-ND2 3.35Å; F172-N216 WeakPolarHBondContact CE1-ND2 3.45Å; F172-L220 HydrophobicContact CZ-CD2 4.24Å; F172-Q368 HydrophobicContact CE1-CB 4.14Å; F172-Q368 HydrophobicContact CE1-CG 3.91Å; F172-Q368 HydrophobicContact CZ-CG 3.9Å; F172-V372 HydrophobicContact CE2-CB 4.43Å; F172-V372 HydrophobicContact CE2-CG1 4.48Å; F172-V372 HydrophobicContact CE2-CG2 3.72Å; F172-V372 HydrophobicContact CZ-CG2 3.94Å |
| 173 | I | 96.4 | Very high | 93.2 | Very high | 42 Ų | 42 | 30.3 Ų | 30.3 | 22% | 0.215 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.4 | -45 | 173.1 | -64.7 | 171.9 | 0 | 0 | 0 | 110.1 | L144 I148 F169 T170 K175 A176 G177 | L144-I173 HydrophobicContact CB-CD1 3.95Å; L144-I173 HydrophobicContact CB-CG1 3.86Å; L144-I173 HydrophobicContact CD1-CG1 4.1Å; I148-I173 HydrophobicContact CD1-CD1 3.58Å; F169-I173 WeakPolarHBondContact O-CG1 3.39Å; F169-I173 PolarHBondContact O-N 3.26Å; F169-I173 VanDerWaalsContact O-N 3.07Å; T170-I173 PolarHBondContact O-N 3.1Å; I173-K175 PolarHBondContact O-N 3.48Å; I173-A176 PolarHBondContact O-N 3.09Å; I173-G177 PolarHBondContact O-N 3.39Å |
| 174 | L | 95.8 | Very high | 93 | Very high | 65 Ų | 65 | 28.2 Ų | 28.2 | 34% | 0.34 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -59.7 | -44.8 | 176.8 | -178.8 | 66.8 | 0 | 0 | 0 | 111.5 | T170 T171 G177 A178 F211 A212 W250 | T170-L174 WeakPolarHBondContact O-CB 3.45Å; T170-L174 PolarHBondContact O-N 3.47Å; T171-L174 PolarHBondContact O-N 3.26Å; L174-G177 PolarHBondContact O-N 3.42Å; L174-A178 WeakPolarHBondContact O-CB 3.13Å; L174-A178 PolarHBondContact O-N 3.01Å; L174-F211 HydrophobicContact CD2-CD1 4.34Å; L174-F211 HydrophobicContact CD2-CE1 3.98Å; L174-A212 HydrophobicContact CD2-CB 4.24Å; L174-A212 HydrophobicContact CG-CB 3.86Å; L174-W250 HydrophobicContact CD2-CH2 4.49Å; L174-W250 HydrophobicContact CD2-CZ3 4.21Å |
| 175 | K | 94.8 | Very high | 92.5 | Very high | 31 Ų | 31 | 28.5 Ų | 28.5 | 14% | 0.135 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.1 | -50 | 176.5 | -176.1 | -176.4 | 177.1 | -175.8 | 0 | 111.4 | T171 F172 I173 G177 A178 V179 A212 N216 | T171-K175 WeakPolarHBondContact O-CB 3.45Å; T171-K175 PolarHBondContact O-N 3.36Å; F172-K175 PolarHBondContact O-N 3.02Å; I173-K175 PolarHBondContact O-N 3.48Å; K175-G177 PolarHBondContact O-N 3.34Å; K175-A178 PolarHBondContact O-N 2.72Å; K175-V179 WeakPolarHBondContact O-CG2 3.44Å; K175-V179 PolarHBondContact O-N 2.84Å; K175-A212 HydrophobicContact CB-CB 4.46Å; K175-N216 HydrophobicContact CD-CB 4.29Å |
| 176 | A | 95 | Very high | 91.6 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.008 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63 | -41.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | H137 I141 F172 I173 V179 F180 | H137-A176 HydrophobicContact CB-CB 3.98Å; I141-A176 HydrophobicContact CD1-CB 3.46Å; I141-A176 VanDerWaalsContact CD1-CB 3.46Å; I141-A176 HydrophobicContact CG1-CB 3.59Å; F172-A176 WeakPolarHBondContact O-CB 3.22Å; F172-A176 PolarHBondContact O-N 3.38Å; I173-A176 PolarHBondContact O-N 3.09Å; A176-V179 PolarHBondContact O-N 2.85Å; A176-F180 WeakPolarHBondContact O-CG 3.04Å; A176-F180 PolarHBondContact O-N 3.21Å |
| 177 | G | 95.2 | Very high | 90.5 | Very high | 35 Ų | 35 | 34.8 Ų | 34.8 | 36% | 0.361 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -64 | -38.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | I173 L174 K175 F180 L181 | I173-G177 PolarHBondContact O-N 3.39Å; L174-G177 PolarHBondContact O-N 3.42Å; K175-G177 PolarHBondContact O-N 3.34Å; G177-F180 PolarHBondContact O-N 2.76Å; G177-L181 WeakPolarHBondContact O-CB 3.13Å; G177-L181 PolarHBondContact O-N 2.98Å |
| 178 | A | 93.9 | Very high | 89.1 | Confident | 7 Ų | 7 | 38.8 Ų | 38.8 | 6% | 0.058 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -69.2 | -35.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L174 K175 L181 K182 A212 | L174-A178 WeakPolarHBondContact O-CB 3.13Å; L174-A178 PolarHBondContact O-N 3.01Å; K175-A178 PolarHBondContact O-N 2.72Å; A178-L181 PolarHBondContact O-N 2.96Å; A178-K182 WeakPolarHBondContact O-CB 3.16Å; A178-K182 PolarHBondContact O-N 2.84Å; A178-A212 HydrophobicContact CB-CB 3.65Å |
| 179 | V | 91.3 | Very high | 87.2 | Confident | 24 Ų | 24 | 41.8 Ų | 41.8 | 15% | 0.145 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.8 | -47.6 | 171.9 | 170.7 | 0 | 0 | 0 | 0 | 110.4 | Y133 K175 A176 L181 K182 D183 | Y133-V179 HydrophobicContact CD2-CG1 4.12Å; Y133-V179 HydrophobicContact CE2-CG1 3.74Å; K175-V179 WeakPolarHBondContact O-CG2 3.44Å; K175-V179 PolarHBondContact O-N 2.84Å; A176-V179 PolarHBondContact O-N 2.85Å; V179-L181 VanDerWaalsContact C-N 3.32Å; V179-L181 PolarHBondContact O-N 3.12Å; V179-K182 WeakPolarHBondContact O-CB 3.33Å; V179-K182 PolarHBondContact O-N 2.98Å; V179-K182 VanDerWaalsContact O-N 3.17Å; V179-D183 VanDerWaalsContact O-CG 3.3Å; V179-D183 PolarHBondContact O-N 3.37Å |
| 180 | F | 93 | Very high | 85.3 | Confident | 63 Ų | 63 | 49.6 Ų | 49.6 | 28% | 0.276 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.5 | -36.3 | 176.1 | -66 | -27.7 | 0 | 0 | 0 | 113.3 | T134 H137 I141 A176 G177 D183 A184 | T134-F180 HydrophobicContact CG2-CE1 4.06Å; H137-F180 HydrophobicContact CB-CE1 4.12Å; H137-F180 HydrophobicContact CB-CZ 3.83Å; I141-F180 HydrophobicContact CD1-CD2 4.09Å; I141-F180 HydrophobicContact CD1-CE2 3.46Å; I141-F180 VanDerWaalsContact CD1-CE2 3.46Å; I141-F180 HydrophobicContact CD1-CZ 4.31Å; A176-F180 WeakPolarHBondContact O-CG 3.04Å; A176-F180 PolarHBondContact O-N 3.21Å; G177-F180 PolarHBondContact O-N 2.76Å; F180-D183 PolarHBondContact O-N 3.34Å; F180-A184 VanDerWaalsContact O-CB 3.28Å; F180-A184 WeakPolarHBondContact O-CB 3.21Å; F180-A184 PolarHBondContact O-N 2.98Å |
| 181 | L | 90.7 | Very high | 83.2 | Confident | 71 Ų | 71 | 55 Ų | 55 | 37% | 0.372 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.1 | -42.9 | 174 | -179.6 | 62.9 | 0 | 0 | 0 | 111.2 | G177 A178 V179 A184 A185 A208 | G177-L181 WeakPolarHBondContact O-CB 3.13Å; G177-L181 PolarHBondContact O-N 2.98Å; A178-L181 PolarHBondContact O-N 2.96Å; V179-L181 VanDerWaalsContact C-N 3.32Å; V179-L181 PolarHBondContact O-N 3.12Å; L181-A184 PolarHBondContact O-N 3.19Å; L181-A185 VanDerWaalsContact O-CB 3.23Å; L181-A185 WeakPolarHBondContact O-CB 2.98Å; L181-A185 PolarHBondContact O-N 3.32Å; L181-A208 HydrophobicContact CD2-CB 4.41Å |
| 182 | K | 88.1 | Confident | 81 | Confident | 46 Ų | 46 | 57.4 Ų | 57.4 | 20% | 0.2 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63 | -45.4 | 175 | 179.9 | 177.9 | 171.6 | 175.6 | 0 | 111.1 | A178 V179 A184 A185 L186 D274 | A178-K182 WeakPolarHBondContact O-CB 3.16Å; A178-K182 PolarHBondContact O-N 2.84Å; V179-K182 WeakPolarHBondContact O-CB 3.33Å; V179-K182 PolarHBondContact O-N 2.98Å; V179-K182 VanDerWaalsContact O-N 3.17Å; K182-A184 PolarHBondContact O-N 3.38Å; K182-A185 PolarHBondContact O-N 3.38Å; K182-L186 HydrophobicContact CD-CD1 4.23Å; K182-L186 HydrophobicContact CG-CD1 3.71Å; K182-L186 HydrophobicContact CG-CG 4.35Å; K182-L186 WeakPolarHBondContact O-CB 3.45Å; K182-L186 WeakPolarHBondContact O-CG 3.38Å; K182-L186 PolarHBondContact O-N 2.83Å; K182-D274 WeakPolarHBondContact CE-OD1 3.33Å; K182-D274 WeakPolarHBondContact CE-OD2 3.44Å; K182-D274 IonicContact NZ-OD1 2.58Å; K182-D274 PolarHBondContact NZ-OD1 2.86Å; K182-D274 IonicContact NZ-OD2 2.64Å; K182-D274 PolarHBondContact NZ-OD2 3.17Å |
| 183 | D | 87.1 | Confident | 79 | Confident | 21 Ų | 21 | 62.7 Ų | 62.7 | 11% | 0.112 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.2 | -43 | 177.7 | -70.2 | -22.1 | 0 | 0 | 0 | 112 | Y133 V179 F180 A185 F187 | Y133-D183 VanDerWaalsContact CE2-OD2 3.24Å; Y133-D183 WeakPolarHBondContact CE2-OD2 3.46Å; Y133-D183 VanDerWaalsContact OH-CG 3.24Å; Y133-D183 PolarHBondContact OH-OD1 3.41Å; Y133-D183 PolarHBondContact OH-OD2 3.15Å; Y133-D183 VanDerWaalsContact OH-OD2 3.1Å; V179-D183 VanDerWaalsContact O-CG 3.3Å; V179-D183 PolarHBondContact O-N 3.37Å; F180-D183 PolarHBondContact O-N 3.34Å; D183-A185 VanDerWaalsContact C-N 3.3Å; D183-A185 PolarHBondContact O-N 3.31Å; D183-F187 HydrophobicContact CB-CD2 4.3Å; D183-F187 WeakPolarHBondContact O-CB 3.43Å; D183-F187 WeakPolarHBondContact O-CD2 3.4Å; D183-F187 PolarHBondContact O-N 3.07Å |
| 184 | A | 85.1 | Confident | 77.1 | Confident | 55 Ų | 55 | 65.5 Ų | 65.5 | 46% | 0.455 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -68.2 | -30.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | F180 L181 K182 | F180-A184 VanDerWaalsContact O-CB 3.28Å; F180-A184 WeakPolarHBondContact O-CB 3.21Å; F180-A184 PolarHBondContact O-N 2.98Å; L181-A184 PolarHBondContact O-N 3.19Å; K182-A184 PolarHBondContact O-N 3.38Å |
| 185 | A | 80.4 | Confident | 75.2 | Confident | 9 Ų | 9 | 63.7 Ų | 63.7 | 7% | 0.074 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -79 | -33.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L181 K182 D183 S198 L201 | L181-A185 VanDerWaalsContact O-CB 3.23Å; L181-A185 WeakPolarHBondContact O-CB 2.98Å; L181-A185 PolarHBondContact O-N 3.32Å; K182-A185 PolarHBondContact O-N 3.38Å; D183-A185 VanDerWaalsContact C-N 3.3Å; D183-A185 PolarHBondContact O-N 3.31Å; A185-S198 PolarHBondContact O-OG 3.43Å; A185-L201 HydrophobicContact CB-CD2 4.32Å; A185-L201 HydrophobicContact CB-CG 3.99Å |
| 186 | L | 73.6 | Confident | 73.2 | Confident | 46 Ų | 46 | 66.8 Ų | 66.8 | 24% | 0.241 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -88.7 | -39.3 | -179.5 | -73.3 | 174.6 | 0 | 0 | 0 | 113 | K182 C202 | K182-L186 HydrophobicContact CD-CD1 4.23Å; K182-L186 HydrophobicContact CG-CD1 3.71Å; K182-L186 HydrophobicContact CG-CG 4.35Å; K182-L186 WeakPolarHBondContact O-CB 3.45Å; K182-L186 WeakPolarHBondContact O-CG 3.38Å; K182-L186 PolarHBondContact O-N 2.83Å; L186-C202 WeakPolarHBondContact CD2-SG 3.29Å |
| 187 | F | 71.1 | Confident | 71 | Confident | 122 Ų | 122 | 73.8 Ų | 73.8 | 54% | 0.535 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -107.1 | 35.5 | -173.9 | -57 | -77.6 | 0 | 0 | 0 | 112.7 | K130 D183 S189 | K130-F187 HydrophobicContact CD-CE2 4.29Å; D183-F187 HydrophobicContact CB-CD2 4.3Å; D183-F187 WeakPolarHBondContact O-CB 3.43Å; D183-F187 WeakPolarHBondContact O-CD2 3.4Å; D183-F187 PolarHBondContact O-N 3.07Å; F187-S189 PolarHBondContact O-N 3.14Å |
| 188 | H | 64.4 | Low | 69.2 | Low | 114 Ų | 114 | 73.6 Ų | 73.6 | 53% | 0.528 | 40% | 0.397 | S | S | . | . | trans | -69.5 | 116.1 | 177.3 | -153.9 | -60 | 0 | 0 | 0 | 109.3 | ||||
| 189 | S | 54.3 | Low | 68 | Low | 62 Ų | 62 | 75.8 Ų | 75.8 | 43% | 0.434 | 41% | 0.41 | S | S | . | . | trans | 15 | 121.8 | 171.3 | 54.5 | 0 | 0 | 0 | 0 | 118.3 | F187 D191 T192 | F187-S189 PolarHBondContact O-N 3.14Å; S189-D191 PolarHBondContact O-N 2.66Å; S189-T192 PolarHBondContact O-N 3.07Å; S189-T192 VanDerWaalsContact O-N 3.1Å; S189-T192 PolarHBondContact O-OG1 3.26Å; S189-T192 PolarHBondContact OG-OG1 2.92Å; S189-T192 VanDerWaalsContact OG-OG1 3.09Å | ||
| 190 | D | 54.9 | Low | 67.5 | Low | 164 Ų | 164 | 79.6 Ų | 79.6 | 88% | 0.877 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -41.1 | -18.4 | 177.6 | -66.6 | -19.9 | 0 | 0 | 0 | 117.1 | ||
| 191 | D | 51.7 | Low | 67 | Low | 167 Ų | 167 | 80.2 Ų | 80.2 | 89% | 0.893 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | 12.4 | -178.2 | -76.3 | -34.8 | 0 | 0 | 0 | 114.7 | S189 | S189-D191 PolarHBondContact O-N 2.66Š|
| 192 | T | 49.6 | Very low | 66.7 | Low | 50 Ų | 50 | 77.2 Ų | 77.2 | 31% | 0.307 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -118.5 | 122 | -175.1 | -36.4 | 0 | 0 | 0 | 0 | 111.5 | S189 H194 | S189-T192 PolarHBondContact O-N 3.07Å; S189-T192 VanDerWaalsContact O-N 3.1Å; S189-T192 PolarHBondContact O-OG1 3.26Å; S189-T192 PolarHBondContact OG-OG1 2.92Å; S189-T192 VanDerWaalsContact OG-OG1 3.09Å; T192-H194 PolarHBondContact O-N 2.96Å |
| 193 | D | 52.9 | Low | 66.6 | Low | 121 Ų | 121 | 75.9 Ų | 75.9 | 65% | 0.647 | 42% | 0.418 | S | S | * | . | trans | -47.7 | 99.1 | 175.8 | -68.9 | -35 | 0 | 0 | 0 | 111.5 | C195 S196 F197 | D193-C195 PolarHBondContact O-N 3.02Å; D193-S196 PolarHBondContact O-N 3.44Å; D193-F197 PolarHBondContact O-N 3.31Å | ||
| 194 | H | 55.5 | Low | 66.7 | Low | 101 Ų | 101 | 78.7 Ų | 78.7 | 47% | 0.468 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -14.5 | 174 | -69.1 | -65.1 | 0 | 0 | 0 | 113.2 | T192 | T192-H194 PolarHBondContact O-N 2.96Š|
| 195 | C | 56.3 | Low | 66.9 | Low | 27 Ų | 27 | 76.1 Ų | 76.1 | 18% | 0.182 | 41% | 0.414 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -27.5 | -175.1 | -68.6 | 0 | 0 | 0 | 0 | 114.3 | M24 C28 D193 | M24-C195 HydrophobicContact CE-CB 3.3Å; M24-C195 WeakPolarHBondContact CE-O 3.15Å; C28-C195 VanDerWaalsContact CA-SG 3.58Å; C28-C195 HydrophobicContact CB-CB 3.98Å; C28-C195 WeakPolarHBondContact CB-SG 3.39Å; C28-C195 WeakPolarHBondContact SG-CA 3.25Å; C28-C195 WeakPolarHBondContact SG-CB 3.46Å; C28-C195 PolarHBondContact SG-N 3.36Å; C28-C195 CovalentContact SG-SG 2.05Å; C28-C195 PolarHBondContact SG-SG 2.79Å; D193-C195 PolarHBondContact O-N 3.02Å |
| 196 | S | 52.6 | Low | 67.4 | Low | 96 Ų | 96 | 75.7 Ų | 75.7 | 67% | 0.671 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.5 | -18.9 | -171.5 | -51.6 | 0 | 0 | 0 | 0 | 113.1 | D193 | D193-S196 PolarHBondContact O-N 3.44Š|
| 197 | F | 49.6 | Very low | 68.3 | Low | 149 Ų | 149 | 74.3 Ų | 74.3 | 65% | 0.654 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -121.2 | 132.9 | -172.2 | -136.6 | -102.8 | 0 | 0 | 0 | 109.7 | D193 | D193-F197 PolarHBondContact O-N 3.31Š|
| 198 | S | 57.4 | Low | 69.4 | Low | 30 Ų | 30 | 70 Ų | 70 | 21% | 0.21 | 39% | 0.392 | C | S | . | . | trans | 98.2 | 18.5 | 164.2 | -147.9 | 0 | 0 | 0 | 0 | 119.6 | A185 L201 C202 | A185-S198 PolarHBondContact O-OG 3.43Å; S198-L201 WeakPolarHBondContact OG-CB 3.32Å; S198-C202 WeakPolarHBondContact O-CA 3.36Å; S198-C202 WeakPolarHBondContact O-CB 3.32Å; S198-C202 PolarHBondContact O-N 3.46Å; S198-C202 PolarHBondContact OG-N 3.36Å | ||
| 199 | T | 68.7 | Low | 70.7 | Confident | 54 Ų | 54 | 65.4 Ų | 65.4 | 33% | 0.331 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.2 | -48.1 | 169.2 | 54.2 | 0 | 0 | 0 | 0 | 111.5 | K203 | T199-K203 VanDerWaalsContact O-CB 3.26Å; T199-K203 WeakPolarHBondContact O-CB 3.37Å; T199-K203 WeakPolarHBondContact O-CD 3.11Å; T199-K203 WeakPolarHBondContact O-CG 3.2Å; T199-K203 PolarHBondContact O-N 3.31Å |
| 200 | V | 80.1 | Confident | 72.5 | Confident | 103 Ų | 103 | 64 Ų | 64 | 62% | 0.624 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -69.7 | -45.4 | 179.5 | -178.8 | 0 | 0 | 0 | 0 | 111.7 | K203 V204 | V200-K203 PolarHBondContact O-N 3.05Å; V200-V204 HydrophobicContact CG1-CG2 4.31Å; V200-V204 WeakPolarHBondContact O-CB 3.36Å; V200-V204 VanDerWaalsContact O-CG2 3.25Å; V200-V204 WeakPolarHBondContact O-CG2 3.36Å; V200-V204 PolarHBondContact O-N 3.16Å |
| 201 | L | 82.2 | Confident | 74.4 | Confident | 77 Ų | 77 | 58.5 Ų | 58.5 | 40% | 0.403 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.2 | -41.9 | 179.3 | 177.6 | 65 | 0 | 0 | 0 | 111.1 | A185 S198 V204 S205 | A185-L201 HydrophobicContact CB-CD2 4.32Å; A185-L201 HydrophobicContact CB-CG 3.99Å; S198-L201 WeakPolarHBondContact OG-CB 3.32Å; L201-V204 PolarHBondContact O-N 3.27Å; L201-S205 VanDerWaalsContact O-CB 3.28Å; L201-S205 WeakPolarHBondContact O-CB 3.35Å; L201-S205 PolarHBondContact O-N 3.24Å; L201-S205 PolarHBondContact O-OG 3.33Å |
| 202 | C | 84.6 | Confident | 76.5 | Confident | 7 Ų | 7 | 50.6 Ų | 50.6 | 5% | 0.047 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.2 | -51.2 | 173.1 | -166.6 | 0 | 0 | 0 | 0 | 111.1 | L186 S198 V204 S205 V206 C272 | L186-C202 WeakPolarHBondContact CD2-SG 3.29Å; S198-C202 WeakPolarHBondContact O-CA 3.36Å; S198-C202 WeakPolarHBondContact O-CB 3.32Å; S198-C202 PolarHBondContact O-N 3.46Å; S198-C202 PolarHBondContact OG-N 3.36Å; C202-V204 VanDerWaalsContact C-N 3.33Å; C202-V204 PolarHBondContact O-N 3.44Å; C202-S205 PolarHBondContact O-N 2.94Å; C202-S205 VanDerWaalsContact O-N 3.09Å; C202-S205 PolarHBondContact O-OG 3.15Å; C202-V206 WeakPolarHBondContact O-CG2 3.37Å; C202-V206 PolarHBondContact O-N 3.38Å; C202-C272 HydrophobicContact CB-CB 3.81Å; C202-C272 WeakPolarHBondContact CB-SG 3.47Å; C202-C272 WeakPolarHBondContact SG-CB 3.5Å; C202-C272 CovalentContact SG-SG 2.02Å; C202-C272 PolarHBondContact SG-SG 2.77Å |
| 203 | K | 86.6 | Confident | 78.5 | Confident | 18 Ų | 18 | 49.6 Ų | 49.6 | 8% | 0.078 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -53.7 | -46.8 | 176 | -74.4 | 170.3 | -174.1 | -174.8 | 0 | 112.2 | T199 V200 A207 D269 A271 W273 | T199-K203 VanDerWaalsContact O-CB 3.26Å; T199-K203 WeakPolarHBondContact O-CB 3.37Å; T199-K203 WeakPolarHBondContact O-CD 3.11Å; T199-K203 WeakPolarHBondContact O-CG 3.2Å; T199-K203 PolarHBondContact O-N 3.31Å; V200-K203 PolarHBondContact O-N 3.05Å; K203-A207 VanDerWaalsContact O-CB 3.28Å; K203-A207 WeakPolarHBondContact O-CB 3.45Å; K203-A207 PolarHBondContact O-N 2.96Å; K203-D269 VanDerWaalsContact CE-OD1 3.28Å; K203-D269 WeakPolarHBondContact CE-OD1 3.47Å; K203-D269 PolarHBondContact NZ-O 3.22Å; K203-D269 IonicContact NZ-OD1 2.99Å; K203-D269 PolarHBondContact NZ-OD1 3.15Å; K203-D269 IonicContact NZ-OD2 3.06Å; K203-D269 PolarHBondContact NZ-OD2 3.5Å; K203-D269 VanDerWaalsContact NZ-OD2 3.15Å; K203-A271 WeakPolarHBondContact CE-O 3.16Å; K203-W273 HydrophobicContact CB-CD2 4.3Å; K203-W273 HydrophobicContact CB-CE3 4.2Å; K203-W273 HydrophobicContact CB-CH2 4.4Å; K203-W273 HydrophobicContact CB-CZ2 4.5Å; K203-W273 HydrophobicContact CB-CZ3 4.25Å; K203-W273 HydrophobicContact CD-CZ2 4.1Å; K203-W273 HydrophobicContact CG-CD2 3.97Å; K203-W273 HydrophobicContact CG-CE3 4.38Å; K203-W273 HydrophobicContact CG-CG 4.31Å; K203-W273 HydrophobicContact CG-CZ2 4.21Å |
| 204 | V | 89.4 | Confident | 80.4 | Confident | 81 Ų | 81 | 44 Ų | 44 | 49% | 0.491 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -65 | -42.7 | 177.6 | 170.7 | 0 | 0 | 0 | 0 | 111.4 | V200 L201 C202 A207 A208 | V200-V204 HydrophobicContact CG1-CG2 4.31Å; V200-V204 WeakPolarHBondContact O-CB 3.36Å; V200-V204 VanDerWaalsContact O-CG2 3.25Å; V200-V204 WeakPolarHBondContact O-CG2 3.36Å; V200-V204 PolarHBondContact O-N 3.16Å; L201-V204 PolarHBondContact O-N 3.27Å; C202-V204 VanDerWaalsContact C-N 3.33Å; C202-V204 PolarHBondContact O-N 3.44Å; V204-A207 PolarHBondContact O-N 3.45Å; V204-A208 VanDerWaalsContact O-CB 3.24Å; V204-A208 WeakPolarHBondContact O-CB 3.48Å; V204-A208 PolarHBondContact O-N 3.25Å |
| 205 | S | 90 | Very high | 82.3 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.3 | -41.4 | 179.8 | 77.3 | 0 | 0 | 0 | 0 | 112.3 | L201 C202 A208 S209 | L201-S205 VanDerWaalsContact O-CB 3.28Å; L201-S205 WeakPolarHBondContact O-CB 3.35Å; L201-S205 PolarHBondContact O-N 3.24Å; L201-S205 PolarHBondContact O-OG 3.33Å; C202-S205 PolarHBondContact O-N 2.94Å; C202-S205 VanDerWaalsContact O-N 3.09Å; C202-S205 PolarHBondContact O-OG 3.15Å; S205-A208 PolarHBondContact O-N 2.94Å; S205-S209 WeakPolarHBondContact O-CB 3.24Å; S205-S209 PolarHBondContact O-N 3.31Å |
| 206 | V | 89.5 | Confident | 84.1 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.006 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66 | -47.5 | 176.1 | 173.2 | 0 | 0 | 0 | 0 | 110.2 | C202 A208 S209 H210 W260 W273 D274 | C202-V206 WeakPolarHBondContact O-CG2 3.37Å; C202-V206 PolarHBondContact O-N 3.38Å; V206-A208 VanDerWaalsContact C-N 3.32Å; V206-A208 PolarHBondContact O-N 2.8Å; V206-S209 WeakPolarHBondContact O-CB 3.41Å; V206-S209 PolarHBondContact O-N 2.88Å; V206-S209 VanDerWaalsContact O-N 3.15Å; V206-H210 PolarHBondContact O-CD2 3.44Å; V206-H210 VanDerWaalsContact O-CD2 3.29Å; V206-H210 PolarHBondContact O-N 3.4Å; V206-W260 HydrophobicContact CG1-CH2 4.08Å; V206-W273 HydrophobicContact CG1-CB 4.19Å; V206-D274 HydrophobicContact CG2-CB 3.93Å |
| 207 | A | 92.2 | Very high | 86 | Confident | 17 Ų | 17 | 34.3 Ų | 34.3 | 14% | 0.14 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.9 | -41.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | K203 V204 H210 F211 W260 V261 W273 | K203-A207 VanDerWaalsContact O-CB 3.28Å; K203-A207 WeakPolarHBondContact O-CB 3.45Å; K203-A207 PolarHBondContact O-N 2.96Å; V204-A207 PolarHBondContact O-N 3.45Å; A207-H210 PolarHBondContact O-N 2.99Å; A207-F211 WeakPolarHBondContact O-CB 3.36Å; A207-F211 PolarHBondContact O-N 3.45Å; A207-W260 HydrophobicContact CB-CZ3 4.42Å; A207-V261 HydrophobicContact CB-CG2 3.98Å; A207-W273 HydrophobicContact CB-CZ3 4.26Å |
| 208 | A | 94 | Very high | 88.1 | Confident | 30 Ų | 30 | 28 Ų | 28 | 25% | 0.248 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.7 | -40.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L181 V204 S205 V206 F211 A212 | L181-A208 HydrophobicContact CD2-CB 4.41Å; V204-A208 VanDerWaalsContact O-CB 3.24Å; V204-A208 WeakPolarHBondContact O-CB 3.48Å; V204-A208 PolarHBondContact O-N 3.25Å; S205-A208 PolarHBondContact O-N 2.94Å; V206-A208 VanDerWaalsContact C-N 3.32Å; V206-A208 PolarHBondContact O-N 2.8Å; A208-F211 PolarHBondContact O-N 3.25Å; A208-A212 WeakPolarHBondContact O-CB 3.37Å; A208-A212 PolarHBondContact O-N 3Å |
| 209 | S | 92.5 | Very high | 89.8 | Confident | 19 Ų | 19 | 26.6 Ų | 26.6 | 13% | 0.133 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.9 | -45.1 | 176.3 | -174.6 | 0 | 0 | 0 | 0 | 112.3 | S205 V206 A212 T213 | S205-S209 WeakPolarHBondContact O-CB 3.24Å; S205-S209 PolarHBondContact O-N 3.31Å; V206-S209 WeakPolarHBondContact O-CB 3.41Å; V206-S209 PolarHBondContact O-N 2.88Å; V206-S209 VanDerWaalsContact O-N 3.15Å; S209-A212 PolarHBondContact O-N 2.81Å; S209-T213 VanDerWaalsContact O-CB 3.28Å; S209-T213 WeakPolarHBondContact O-CB 3.36Å; S209-T213 PolarHBondContact O-N 3.35Å; S209-T213 PolarHBondContact O-OG1 3.34Å |
| 210 | H | 92.7 | Very high | 90.9 | Very high | 31 Ų | 31 | 24 Ų | 24 | 14% | 0.144 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.4 | -45.9 | 174.5 | -71.5 | -51.8 | 0 | 0 | 0 | 112.1 | V206 A207 A212 T213 M214 T257 W260 W282 I285 | V206-H210 PolarHBondContact O-CD2 3.44Å; V206-H210 VanDerWaalsContact O-CD2 3.29Å; V206-H210 PolarHBondContact O-N 3.4Å; A207-H210 PolarHBondContact O-N 2.99Å; H210-A212 PolarHBondContact O-N 2.94Å; H210-T213 PolarHBondContact O-N 2.89Å; H210-M214 WeakPolarHBondContact O-CB 3.34Å; H210-M214 PolarHBondContact O-N 3.02Å; H210-T257 HydrophobicContact CB-CG2 4.48Å; H210-W260 AromaticContact CD2-CH2 3.48Å; H210-W260 VanDerWaalsContact CD2-CH2 3.48Å; H210-W260 WeakPolarHBondContact CD2-CH2 3.34Å; H210-W260 AromaticContact CD2-CZ2 3.91Å; H210-W260 AromaticContact CD2-CZ3 3.73Å; H210-W260 AromaticContact NE2-CH2 3.81Å; H210-W260 AromaticContact NE2-CZ2 3.89Å; H210-W282 AromaticContact CE1-CH2 3.63Å; H210-W282 AromaticContact CE1-CZ3 3.39Å; H210-W282 WeakPolarHBondContact CE1-CZ3 3.43Å; H210-W282 AromaticContact ND1-CH2 3.91Å; H210-W282 AromaticContact ND1-CZ3 3.7Å; H210-I285 HydrophobicContact CB-CG2 4.48Å |
| 211 | F | 95.1 | Very high | 91.5 | Very high | 50 Ų | 50 | 21 Ų | 21 | 22% | 0.219 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -57.7 | -49.3 | 176.1 | 174.4 | -111.1 | 0 | 0 | 0 | 111.5 | L174 A207 A208 M214 T215 W250 P253 V254 T257 | L174-F211 HydrophobicContact CD2-CD1 4.34Å; L174-F211 HydrophobicContact CD2-CE1 3.98Å; A207-F211 WeakPolarHBondContact O-CB 3.36Å; A207-F211 PolarHBondContact O-N 3.45Å; A208-F211 PolarHBondContact O-N 3.25Å; F211-M214 PolarHBondContact O-N 3.5Å; F211-T215 WeakPolarHBondContact CE2-OG1 3.33Å; F211-T215 VanDerWaalsContact O-CB 3.23Å; F211-T215 WeakPolarHBondContact O-CB 3.41Å; F211-T215 PolarHBondContact O-N 2.88Å; F211-T215 PolarHBondContact O-OG1 2.99Å; F211-W250 HydrophobicContact CZ-CE3 4.32Å; F211-W250 HydrophobicContact CZ-CZ3 4.39Å; F211-P253 HydrophobicContact CD2-CB 4.12Å; F211-P253 HydrophobicContact CE2-CB 3.9Å; F211-V254 HydrophobicContact CE2-CG2 3.59Å; F211-V254 HydrophobicContact CZ-CG2 4.14Å; F211-T257 HydrophobicContact CB-CG2 3.99Å |
| 212 | A | 95.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -65.5 | -41.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L174 K175 A178 A208 S209 H210 T215 N216 | L174-A212 HydrophobicContact CD2-CB 4.24Å; L174-A212 HydrophobicContact CG-CB 3.86Å; K175-A212 HydrophobicContact CB-CB 4.46Å; A178-A212 HydrophobicContact CB-CB 3.65Å; A208-A212 WeakPolarHBondContact O-CB 3.37Å; A208-A212 PolarHBondContact O-N 3Å; S209-A212 PolarHBondContact O-N 2.81Å; H210-A212 PolarHBondContact O-N 2.94Å; A212-T215 PolarHBondContact O-N 3.42Å; A212-N216 WeakPolarHBondContact O-CB 3.19Å; A212-N216 PolarHBondContact O-N 3.25Å |
| 213 | T | 91.7 | Very high | 92.2 | Very high | 30 Ų | 30 | 17.3 Ų | 17.3 | 18% | 0.184 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -63.2 | -48.2 | 175.9 | -63.4 | 0 | 0 | 0 | 0 | 111.2 | S209 H210 T215 N216 F217 I289 | S209-T213 VanDerWaalsContact O-CB 3.28Å; S209-T213 WeakPolarHBondContact O-CB 3.36Å; S209-T213 PolarHBondContact O-N 3.35Å; S209-T213 PolarHBondContact O-OG1 3.34Å; H210-T213 PolarHBondContact O-N 2.89Å; T213-T215 VanDerWaalsContact C-N 3.34Å; T213-T215 PolarHBondContact O-N 2.83Å; T213-N216 WeakPolarHBondContact O-CB 3.33Å; T213-N216 PolarHBondContact O-N 3.5Å; T213-F217 HydrophobicContact CG2-CD2 3.87Å; T213-F217 HydrophobicContact CG2-CE2 3.72Å; T213-F217 VanDerWaalsContact O-CD2 3.27Å; T213-F217 WeakPolarHBondContact O-CD2 3.34Å; T213-F217 PolarHBondContact O-N 3.12Å; T213-I289 HydrophobicContact CG2-CD1 4.28Å |
| 214 | M | 92.9 | Very high | 92.2 | Very high | 4 Ų | 4 | 16.5 Ų | 16.5 | 2% | 0.02 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -66.4 | -37.9 | 179.9 | -163.8 | -174.3 | -47.1 | 0 | 0 | 112.4 | H210 F211 F217 S218 P253 F256 T257 I285 I289 | H210-M214 WeakPolarHBondContact O-CB 3.34Å; H210-M214 PolarHBondContact O-N 3.02Å; F211-M214 PolarHBondContact O-N 3.5Å; M214-F217 PolarHBondContact O-N 3.41Å; M214-S218 VanDerWaalsContact O-CB 3.32Å; M214-S218 WeakPolarHBondContact O-CB 3.43Å; M214-S218 PolarHBondContact O-N 3.43Å; M214-S218 PolarHBondContact O-OG 3.43Å; M214-P253 HydrophobicContact CB-CB 4.3Å; M214-P253 HydrophobicContact CG-CB 4.3Å; M214-P253 HydrophobicContact SD-CB 4.35Å; M214-F256 HydrophobicContact CE-CB 3.78Å; M214-F256 HydrophobicContact SD-CB 3.52Å; M214-F256 VanDerWaalsContact SD-CB 3.52Å; M214-F256 HydrophobicContact SD-CD2 4.07Å; M214-F256 HydrophobicContact SD-CG 4.22Å; M214-T257 WeakPolarHBondContact CE-OG1 3.33Å; M214-I285 HydrophobicContact CE-CB 4.29Å; M214-I285 HydrophobicContact CE-CD1 3.26Å; M214-I285 HydrophobicContact CE-CG1 4.33Å; M214-I285 HydrophobicContact CE-CG2 3.93Å; M214-I289 HydrophobicContact CG-CG1 4.36Å |
| 215 | T | 95.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -62.8 | -43 | 173.8 | -58.2 | 0 | 0 | 0 | 0 | 111.3 | T171 F211 A212 T213 S218 W219 W250 P253 | T171-T215 HydrophobicContact CG2-CG2 3.78Å; F211-T215 WeakPolarHBondContact CE2-OG1 3.33Å; F211-T215 VanDerWaalsContact O-CB 3.23Å; F211-T215 WeakPolarHBondContact O-CB 3.41Å; F211-T215 PolarHBondContact O-N 2.88Å; F211-T215 PolarHBondContact O-OG1 2.99Å; A212-T215 PolarHBondContact O-N 3.42Å; T213-T215 VanDerWaalsContact C-N 3.34Å; T213-T215 PolarHBondContact O-N 2.83Å; T215-S218 PolarHBondContact O-N 2.98Å; T215-W219 PolarHBondContact O-N 3.3Å; T215-W250 HydrophobicContact CG2-CD2 4.3Å; T215-W250 HydrophobicContact CG2-CE3 3.58Å; T215-W250 HydrophobicContact CG2-CH2 4.04Å; T215-W250 HydrophobicContact CG2-CZ3 3.46Å; T215-W250 VanDerWaalsContact CG2-CZ3 3.46Å; T215-P253 VanDerWaalsContact CA-CG 3.46Å; T215-P253 HydrophobicContact CG2-CG 4.44Å; T215-P253 WeakPolarHBondContact OG1-CB 3.22Å |
| 216 | N | 94.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -60.3 | -48.6 | 175.5 | -178.6 | -114.1 | 0 | 0 | 0 | 111.8 | T171 F172 K175 A212 T213 S218 W219 L220 | T171-N216 PolarHBondContact OG1-ND2 3.36Å; T171-N216 VanDerWaalsContact OG1-ND2 3.12Å; F172-N216 WeakPolarHBondContact CD1-ND2 3.45Å; F172-N216 VanDerWaalsContact CE1-ND2 3.35Å; F172-N216 WeakPolarHBondContact CE1-ND2 3.45Å; K175-N216 HydrophobicContact CD-CB 4.29Å; A212-N216 WeakPolarHBondContact O-CB 3.19Å; A212-N216 PolarHBondContact O-N 3.25Å; T213-N216 WeakPolarHBondContact O-CB 3.33Å; T213-N216 PolarHBondContact O-N 3.5Å; N216-S218 VanDerWaalsContact C-N 3.33Å; N216-S218 PolarHBondContact O-N 3.33Å; N216-W219 PolarHBondContact O-N 3.43Å; N216-L220 WeakPolarHBondContact O-CG 3.35Å; N216-L220 PolarHBondContact O-N 2.87Å |
| 217 | F | 92 | Very high | 92 | Very high | 19 Ų | 19 | 18.4 Ų | 18.4 | 8% | 0.083 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -63.8 | -36 | 176 | -78.9 | -67.5 | 0 | 0 | 0 | 113.2 | T213 M214 L220 L221 I289 S292 V293 Y342 | T213-F217 HydrophobicContact CG2-CD2 3.87Å; T213-F217 HydrophobicContact CG2-CE2 3.72Å; T213-F217 VanDerWaalsContact O-CD2 3.27Å; T213-F217 WeakPolarHBondContact O-CD2 3.34Å; T213-F217 PolarHBondContact O-N 3.12Å; M214-F217 PolarHBondContact O-N 3.41Å; F217-L220 HydrophobicContact CD1-CD1 4.32Å; F217-L220 PolarHBondContact O-N 2.94Å; F217-L221 PolarHBondContact O-N 2.94Å; F217-I289 HydrophobicContact CD2-CD1 4.49Å; F217-I289 HydrophobicContact CD2-CG1 4.23Å; F217-I289 HydrophobicContact CD2-CG2 3.68Å; F217-I289 HydrophobicContact CE2-CG2 3.7Å; F217-I289 HydrophobicContact CG-CG2 4.15Å; F217-I289 HydrophobicContact CZ-CG2 4.18Å; F217-S292 PolarHBondContact O-OG 3.48Å; F217-V293 HydrophobicContact CD1-CG2 3.61Å; F217-V293 HydrophobicContact CE1-CG2 3.5Å; F217-V293 HydrophobicContact CZ-CG2 4.36Å; F217-Y342 HydrophobicContact CZ-CD2 4.26Å; F217-Y342 HydrophobicContact CZ-CG 4.44Å |
| 218 | S | 93.3 | Very high | 91.6 | Very high | 18 Ų | 18 | 18.8 Ų | 18.8 | 13% | 0.126 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -67.5 | -37.8 | 177.5 | -62 | 0 | 0 | 0 | 0 | 111.8 | M214 T215 N216 L221 A222 G249 P253 | M214-S218 VanDerWaalsContact O-CB 3.32Å; M214-S218 WeakPolarHBondContact O-CB 3.43Å; M214-S218 PolarHBondContact O-N 3.43Å; M214-S218 PolarHBondContact O-OG 3.43Å; T215-S218 PolarHBondContact O-N 2.98Å; N216-S218 VanDerWaalsContact C-N 3.33Å; N216-S218 PolarHBondContact O-N 3.33Å; S218-L221 PolarHBondContact O-N 3.35Å; S218-A222 WeakPolarHBondContact O-CB 3.32Å; S218-A222 PolarHBondContact O-N 3.21Å; S218-G249 WeakPolarHBondContact CB-O 3.18Å; S218-P253 WeakPolarHBondContact OG-CG 3.32Å |
| 219 | W | 94.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -74.4 | -31.8 | 175.1 | -86.1 | 94.6 | 0 | 0 | 0 | 113.6 | V164 Q167 L168 T171 T215 N216 A222 E223 V246 G249 W250 | V164-W219 HydrophobicContact CG1-CZ3 4.44Å; Q167-W219 HydrophobicContact CB-CD2 3.96Å; Q167-W219 HydrophobicContact CB-CE3 3.63Å; Q167-W219 HydrophobicContact CB-CH2 3.45Å; Q167-W219 VanDerWaalsContact CB-CH2 3.45Å; Q167-W219 HydrophobicContact CB-CZ2 3.8Å; Q167-W219 HydrophobicContact CB-CZ3 3.35Å; Q167-W219 HydrophobicContact CG-CH2 3.56Å; Q167-W219 HydrophobicContact CG-CZ2 4.02Å; Q167-W219 HydrophobicContact CG-CZ3 3.9Å; L168-W219 HydrophobicContact CD1-CB 4.02Å; T171-W219 HydrophobicContact CG2-CB 3.82Å; T171-W219 HydrophobicContact CG2-CD2 4.48Å; T171-W219 HydrophobicContact CG2-CG 3.57Å; T215-W219 PolarHBondContact O-N 3.3Å; N216-W219 PolarHBondContact O-N 3.43Å; W219-A222 HydrophobicContact CE3-CB 4.22Å; W219-A222 PolarHBondContact O-N 3.27Å; W219-E223 PolarHBondContact O-N 2.91Å; W219-V246 HydrophobicContact CH2-CB 4.34Å; W219-V246 HydrophobicContact CH2-CG1 4.22Å; W219-V246 HydrophobicContact CH2-CG2 4.1Å; W219-V246 HydrophobicContact CZ2-CG1 4.36Å; W219-G249 PolarHBondContact NE1-O 2.93Å; W219-W250 AromaticContact CE2-CD1 3.8Å; W219-W250 AromaticContact CE2-CE2 3.94Å; W219-W250 AromaticContact CE2-NE1 3.48Å; W219-W250 AromaticContact CZ2-CD1 3.39Å; W219-W250 HydrophobicContact CZ2-CG 4.34Å; W219-W250 AromaticContact CZ2-NE1 3.17Å; W219-W250 AromaticContact NE1-CD1 3.61Å; W219-W250 AromaticContact NE1-CD2 3.65Å; W219-W250 AromaticContact NE1-CE2 3.37Å; W219-W250 AromaticContact NE1-CG 3.77Å; W219-W250 AromaticContact NE1-CZ2 3.9Å; W219-W250 AromaticContact NE1-NE1 3.35Å |
| 220 | L | 91.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.6 | -44.9 | 169.2 | -75.3 | 173.1 | 0 | 0 | 0 | 111.6 | L168 F172 N216 F217 A222 E223 A224 L337 | L168-L220 HydrophobicContact CD1-CD2 3.7Å; L168-L220 HydrophobicContact CD1-CG 3.95Å; L168-L220 HydrophobicContact CD2-CD2 4.29Å; F172-L220 HydrophobicContact CZ-CD2 4.24Å; N216-L220 WeakPolarHBondContact O-CG 3.35Å; N216-L220 PolarHBondContact O-N 2.87Å; F217-L220 HydrophobicContact CD1-CD1 4.32Å; F217-L220 PolarHBondContact O-N 2.94Å; L220-A222 VanDerWaalsContact C-N 3.34Å; L220-E223 PolarHBondContact O-N 3.38Å; L220-A224 PolarHBondContact O-N 2.7Å; L220-L337 WeakPolarHBondContact CD2-O 3.4Å |
| 221 | L | 91.4 | Very high | 90.3 | Very high | 38 Ų | 38 | 23.9 Ų | 23.9 | 20% | 0.199 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63 | -43.1 | 173.3 | 177.4 | 64 | 0 | 0 | 0 | 111.2 | F217 S218 E223 A224 V225 S292 V295 N296 L299 | F217-L221 PolarHBondContact O-N 2.94Å; S218-L221 PolarHBondContact O-N 3.35Å; L221-E223 VanDerWaalsContact C-N 3.33Å; L221-E223 PolarHBondContact O-N 3.5Å; L221-A224 PolarHBondContact O-N 2.96Å; L221-V225 HydrophobicContact CD1-CG2 4.11Å; L221-V225 HydrophobicContact CG-CG2 4.33Å; L221-V225 WeakPolarHBondContact O-CG2 3.14Å; L221-V225 PolarHBondContact O-N 3.26Å; L221-S292 WeakPolarHBondContact CB-OG 3.03Å; L221-V295 HydrophobicContact CD1-CB 4.05Å; L221-V295 HydrophobicContact CD1-CG1 3.67Å; L221-N296 HydrophobicContact CD1-CB 4.49Å; L221-L299 HydrophobicContact CD1-CD1 3.91Å |
| 222 | A | 91.9 | Very high | 89.6 | Confident | 4 Ų | 4 | 24.5 Ų | 24.5 | 3% | 0.033 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.7 | -45.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | S218 W219 L220 V225 Y226 L245 | S218-A222 WeakPolarHBondContact O-CB 3.32Å; S218-A222 PolarHBondContact O-N 3.21Å; W219-A222 HydrophobicContact CE3-CB 4.22Å; W219-A222 PolarHBondContact O-N 3.27Å; L220-A222 VanDerWaalsContact C-N 3.34Å; A222-V225 PolarHBondContact O-N 3.48Å; A222-Y226 VanDerWaalsContact O-CB 3.32Å; A222-Y226 WeakPolarHBondContact O-CB 3.3Å; A222-Y226 PolarHBondContact O-N 3.35Å; A222-L245 HydrophobicContact CB-CD1 3.77Å; A222-L245 HydrophobicContact CB-CD2 4.2Å; A222-L245 HydrophobicContact CB-CG 3.78Å; A222-L245 WeakPolarHBondContact O-CD2 3.45Å |
| 223 | E | 89.9 | Confident | 88.5 | Confident | 4 Ų | 4 | 28 Ų | 28 | 2% | 0.019 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.6 | -46.6 | 175 | -176.5 | -178.5 | -151.1 | 0 | 0 | 111.8 | V164 H165 L168 W219 L220 L221 V225 Y226 L227 Y376 | V164-E223 HydrophobicContact CG1-CB 4.09Å; V164-E223 HydrophobicContact CG1-CG 4.31Å; H165-E223 IonicContact CE1-OE1 2.68Å; H165-E223 PolarHBondContact CE1-OE1 3.47Å; H165-E223 IonicContact ND1-OE1 3.2Å; H165-E223 PolarHBondContact ND1-OE1 3.43Å; L168-E223 WeakPolarHBondContact CD2-OE2 3.05Å; W219-E223 PolarHBondContact O-N 2.91Å; L220-E223 PolarHBondContact O-N 3.38Å; L221-E223 VanDerWaalsContact C-N 3.33Å; L221-E223 PolarHBondContact O-N 3.5Å; E223-V225 PolarHBondContact O-N 3.41Å; E223-Y226 PolarHBondContact O-N 3.43Å; E223-L227 WeakPolarHBondContact O-CB 3.45Å; E223-L227 PolarHBondContact O-N 3.47Å; E223-Y376 WeakPolarHBondContact OE1-CE2 2.99Å; E223-Y376 PolarHBondContact OE1-OH 2.88Å |
| 224 | A | 88.2 | Confident | 87.1 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.4 | -43.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L220 L221 L227 N228 N296 L299 F338 | L220-A224 PolarHBondContact O-N 2.7Å; L221-A224 PolarHBondContact O-N 2.96Å; A224-L227 PolarHBondContact O-N 2.86Å; A224-N228 WeakPolarHBondContact O-CB 3.47Å; A224-N228 PolarHBondContact O-N 3.41Å; A224-N296 WeakPolarHBondContact CB-OD1 3.42Å; A224-L299 HydrophobicContact CB-CB 4.35Å; A224-L299 HydrophobicContact CB-CD1 3.9Å; A224-F338 HydrophobicContact CB-CD1 4.05Å; A224-F338 HydrophobicContact CB-CE1 3.72Å |
| 225 | V | 90.1 | Very high | 85.3 | Confident | 47 Ų | 47 | 36.7 Ų | 36.7 | 29% | 0.285 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.5 | -46.3 | 174.9 | 171.3 | 0 | 0 | 0 | 0 | 110.2 | L221 A222 E223 L227 N228 C229 L245 L299 | L221-V225 HydrophobicContact CD1-CG2 4.11Å; L221-V225 HydrophobicContact CG-CG2 4.33Å; L221-V225 WeakPolarHBondContact O-CG2 3.14Å; L221-V225 PolarHBondContact O-N 3.26Å; A222-V225 PolarHBondContact O-N 3.48Å; E223-V225 PolarHBondContact O-N 3.41Å; V225-L227 PolarHBondContact O-N 3.47Å; V225-N228 PolarHBondContact O-N 3.41Å; V225-C229 WeakPolarHBondContact O-CB 3.27Å; V225-C229 PolarHBondContact O-N 3.4Å; V225-C229 PolarHBondContact O-SG 2.98Å; V225-L245 HydrophobicContact CB-CD1 4.14Å; V225-L245 HydrophobicContact CG1-CD1 4.05Å; V225-L299 HydrophobicContact CB-CD1 4.48Å; V225-L299 HydrophobicContact CG2-CD1 3.56Å |
| 226 | Y | 87.7 | Confident | 83.4 | Confident | 31 Ų | 31 | 42.7 Ų | 42.7 | 12% | 0.122 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.3 | -47.7 | 178.6 | -178.9 | -103.5 | 0 | 0 | 0 | 112 | R161 V164 A222 E223 C229 L230 F242 L245 | R161-Y226 HydrophobicContact CB-CE1 4.11Å; R161-Y226 HydrophobicContact CG-CE1 4.44Å; V164-Y226 HydrophobicContact CG2-CD1 4.32Å; V164-Y226 HydrophobicContact CG2-CG 4.3Å; A222-Y226 VanDerWaalsContact O-CB 3.32Å; A222-Y226 WeakPolarHBondContact O-CB 3.3Å; A222-Y226 PolarHBondContact O-N 3.35Å; E223-Y226 PolarHBondContact O-N 3.43Å; Y226-C229 PolarHBondContact O-N 3.46Å; Y226-L230 WeakPolarHBondContact O-CB 3.42Å; Y226-L230 PolarHBondContact O-N 3.49Å; Y226-F242 HydrophobicContact CE2-CD2 4.28Å; Y226-L245 HydrophobicContact CD2-CD2 4.3Å; Y226-L245 HydrophobicContact CG-CD2 4.42Å |
| 227 | L | 85.6 | Confident | 81.8 | Confident | 44 Ų | 44 | 46.7 Ų | 46.7 | 23% | 0.23 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.1 | -43.9 | 178 | -178.1 | 62.3 | 0 | 0 | 0 | 111.4 | E223 A224 V225 L230 L231 I303 F338 | E223-L227 WeakPolarHBondContact O-CB 3.45Å; E223-L227 PolarHBondContact O-N 3.47Å; A224-L227 PolarHBondContact O-N 2.86Å; V225-L227 PolarHBondContact O-N 3.47Å; L227-L230 PolarHBondContact O-N 3.41Å; L227-L231 HydrophobicContact CD1-CD1 4.22Å; L227-L231 HydrophobicContact CD1-CG 4.38Å; L227-L231 HydrophobicContact CG-CD1 4.07Å; L227-L231 WeakPolarHBondContact O-CB 3.23Å; L227-L231 WeakPolarHBondContact O-CG 3.33Å; L227-L231 PolarHBondContact O-N 2.85Å; L227-I303 HydrophobicContact CD2-CD1 3.95Å; L227-I303 HydrophobicContact CG-CD1 4.23Å; L227-F338 HydrophobicContact CD2-CZ 4.44Å |
| 228 | N | 84.7 | Confident | 80.6 | Confident | 26 Ų | 26 | 48.7 Ų | 48.7 | 14% | 0.139 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.7 | -43.4 | 177.3 | -174.3 | 66.2 | 0 | 0 | 0 | 111.7 | A224 V225 L230 L231 A232 L299 N302 I303 | A224-N228 WeakPolarHBondContact O-CB 3.47Å; A224-N228 PolarHBondContact O-N 3.41Å; V225-N228 PolarHBondContact O-N 3.41Å; N228-L230 PolarHBondContact O-N 2.99Å; N228-L231 PolarHBondContact O-N 3.01Å; N228-A232 VanDerWaalsContact O-CB 3.25Å; N228-A232 WeakPolarHBondContact O-CB 3.28Å; N228-A232 PolarHBondContact O-N 2.86Å; N228-L299 HydrophobicContact CB-CD2 4.11Å; N228-N302 PolarHBondContact OD1-ND2 2.95Å; N228-I303 HydrophobicContact CB-CD1 4.47Å; N228-I303 HydrophobicContact CB-CG1 4.36Å |
| 229 | C | 85.2 | Confident | 79.8 | Confident | 65 Ų | 65 | 57.3 Ų | 57.3 | 44% | 0.439 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.8 | -43.7 | 174.6 | -72.8 | 0 | 0 | 0 | 0 | 112.1 | V225 Y226 L231 A232 S233 | V225-C229 WeakPolarHBondContact O-CB 3.27Å; V225-C229 PolarHBondContact O-N 3.4Å; V225-C229 PolarHBondContact O-SG 2.98Å; Y226-C229 PolarHBondContact O-N 3.46Å; C229-L231 VanDerWaalsContact C-N 3.33Å; C229-L231 PolarHBondContact O-N 2.86Å; C229-A232 PolarHBondContact O-N 3.19Å; C229-S233 PolarHBondContact O-N 2.85Å |
| 230 | L | 83.5 | Confident | 79.2 | Confident | 71 Ų | 71 | 66.7 Ų | 66.7 | 37% | 0.372 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.9 | -37.8 | 178.1 | -177.1 | 66.8 | 0 | 0 | 0 | 112.1 | Y226 L227 N228 | Y226-L230 WeakPolarHBondContact O-CB 3.42Å; Y226-L230 PolarHBondContact O-N 3.49Å; L227-L230 PolarHBondContact O-N 3.41Å; N228-L230 PolarHBondContact O-N 2.99Å |
| 231 | L | 83.3 | Confident | 78.7 | Confident | 50 Ų | 50 | 69.2 Ų | 69.2 | 26% | 0.262 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -76.4 | -32.2 | -179.4 | -73.2 | 173.1 | 0 | 0 | 0 | 113.4 | L227 N228 C229 I303 I306 K310 | L227-L231 HydrophobicContact CD1-CD1 4.22Å; L227-L231 HydrophobicContact CD1-CG 4.38Å; L227-L231 HydrophobicContact CG-CD1 4.07Å; L227-L231 WeakPolarHBondContact O-CB 3.23Å; L227-L231 WeakPolarHBondContact O-CG 3.33Å; L227-L231 PolarHBondContact O-N 2.85Å; N228-L231 PolarHBondContact O-N 3.01Å; C229-L231 VanDerWaalsContact C-N 3.33Å; C229-L231 PolarHBondContact O-N 2.86Å; L231-I303 HydrophobicContact CD1-CB 4.44Å; L231-I303 HydrophobicContact CD1-CG1 4.17Å; L231-I303 HydrophobicContact CD1-CG2 3.84Å; L231-I306 HydrophobicContact CB-CD1 4.47Å; L231-I306 HydrophobicContact CB-CG2 4.31Å; L231-K310 PolarHBondContact O-NZ 2.75Å; L231-K310 VanDerWaalsContact O-NZ 3.15Å |
| 232 | A | 80.4 | Confident | 78.3 | Confident | 63 Ų | 63 | 68.8 Ų | 68.8 | 52% | 0.521 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -87.9 | -34.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | N228 C229 | N228-A232 VanDerWaalsContact O-CB 3.25Å; N228-A232 WeakPolarHBondContact O-CB 3.28Å; N228-A232 PolarHBondContact O-N 2.86Å; C229-A232 PolarHBondContact O-N 3.19Å |
| 233 | S | 71 | Confident | 78.1 | Confident | 74 Ų | 74 | 75.9 Ų | 75.9 | 52% | 0.517 | 42% | 0.417 | S | S | . | . | trans | -131.2 | 124.8 | -168.7 | -67.5 | 0 | 0 | 0 | 0 | 112.3 | C229 S235 | C229-S233 PolarHBondContact O-N 2.85Å; S233-S235 VanDerWaalsContact C-N 3.25Å; S233-S235 PolarHBondContact O-N 2.95Å | ||
| 234 | T | 63 | Low | 78 | Confident | 153 Ų | 153 | 83.7 Ų | 83.7 | 94% | 0.939 | 45% | 0.447 | S | S | * | . | trans | -87.2 | 17.4 | 173.7 | 52.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 235 | S | 55.9 | Low | 78.1 | Confident | 63 Ų | 63 | 84.9 Ų | 84.9 | 44% | 0.441 | 45% | 0.453 | S | S | . | . | trans | -92.8 | 141.7 | -163.5 | -175.5 | 0 | 0 | 0 | 0 | 114.2 | S233 S237 | S233-S235 VanDerWaalsContact C-N 3.25Å; S233-S235 PolarHBondContact O-N 2.95Å; S235-S237 PolarHBondContact O-N 3.17Å | ||
| 236 | P | 53.7 | Low | 78.2 | Confident | 126 Ų | 126 | 83.4 Ų | 83.4 | 82% | 0.818 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -2.4 | -179.6 | 24.2 | -34.2 | 0 | 0 | 0 | 116.2 | S238 | P236-S238 PolarHBondContact O-N 3.43Å; P236-S238 VanDerWaalsContact O-N 3.12Å |
| 237 | S | 60.7 | Low | 78.4 | Confident | 85 Ų | 85 | 87 Ų | 87 | 59% | 0.594 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -5.1 | 174.7 | 61.3 | 0 | 0 | 0 | 0 | 114.3 | S235 R239 R240 | S235-S237 PolarHBondContact O-N 3.17Å; S237-R239 VanDerWaalsContact C-N 3.3Å; S237-R239 PolarHBondContact O-N 3.25Å; S237-R240 PolarHBondContact O-N 3.47Å |
| 238 | S | 68.2 | Low | 78.7 | Confident | 60 Ų | 60 | 86.7 Ų | 86.7 | 42% | 0.42 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -55 | -35.2 | -176.6 | -177.4 | 0 | 0 | 0 | 0 | 114.4 | P236 R240 A241 F242 | P236-S238 PolarHBondContact O-N 3.43Å; P236-S238 VanDerWaalsContact O-N 3.12Å; S238-R240 PolarHBondContact O-N 2.88Å; S238-A241 PolarHBondContact O-N 3.22Å; S238-F242 VanDerWaalsContact O-CB 3.28Å; S238-F242 WeakPolarHBondContact O-CB 3.32Å; S238-F242 PolarHBondContact O-N 3.28Å |
| 239 | R | 75.1 | Confident | 79.1 | Confident | 199 Ų | 199 | 85.6 Ų | 85.6 | 75% | 0.751 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -66.8 | -37.5 | -174.9 | -168.2 | 175 | -176.9 | -172 | -0.3 | 113.7 | S237 W243 | S237-R239 VanDerWaalsContact C-N 3.3Å; S237-R239 PolarHBondContact O-N 3.25Å; R239-W243 VanDerWaalsContact O-CD1 3.26Å; R239-W243 PolarHBondContact O-N 3.3Å |
| 240 | R | 81.6 | Confident | 79.5 | Confident | 197 Ų | 197 | 86 Ų | 86 | 74% | 0.743 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -73.8 | -42.8 | 177.1 | -170.6 | -177.1 | -64.9 | 170.7 | 0.6 | 110.7 | S237 S238 F242 W243 W244 | S237-R240 PolarHBondContact O-N 3.47Å; S238-R240 PolarHBondContact O-N 2.88Å; R240-F242 VanDerWaalsContact C-N 3.26Å; R240-F242 PolarHBondContact O-N 3.14Å; R240-W243 PolarHBondContact O-N 3.29Å; R240-W244 VanDerWaalsContact O-CD1 3.23Å; R240-W244 PolarHBondContact O-N 3.49Å |
| 241 | A | 80.6 | Confident | 80.1 | Confident | 54 Ų | 54 | 84.2 Ų | 84.2 | 45% | 0.446 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -59.1 | -39.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | S238 W243 W244 L245 | S238-A241 PolarHBondContact O-N 3.22Å; A241-W243 PolarHBondContact O-N 3.48Å; A241-W244 PolarHBondContact O-N 3.21Å; A241-L245 WeakPolarHBondContact O-CB 3.38Å; A241-L245 PolarHBondContact O-N 3.29Å |
| 242 | F | 84.1 | Confident | 80.6 | Confident | 29 Ų | 29 | 85.5 Ų | 85.5 | 13% | 0.127 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -58.2 | -47.2 | 175.4 | 172.4 | -95.2 | 0 | 0 | 0 | 112.8 | P160 Y163 V164 Y226 S238 R240 W244 L245 V246 | P160-F242 HydrophobicContact CB-CD2 4.48Å; P160-F242 HydrophobicContact CB-CE2 4.24Å; Y163-F242 HydrophobicContact CD1-CE2 4.06Å; Y163-F242 AromaticContact CD1-CZ 3.46Å; Y163-F242 HydrophobicContact CD1-CZ 3.46Å; Y163-F242 VanDerWaalsContact CD1-CZ 3.46Å; Y163-F242 AromaticContact CE1-CZ 3.83Å; Y163-F242 HydrophobicContact CE1-CZ 3.83Å; Y163-F242 HydrophobicContact CG-CZ 4.27Å; V164-F242 HydrophobicContact CG2-CD2 4.46Å; V164-F242 HydrophobicContact CG2-CE2 3.91Å; Y226-F242 HydrophobicContact CE2-CD2 4.28Å; S238-F242 VanDerWaalsContact O-CB 3.28Å; S238-F242 WeakPolarHBondContact O-CB 3.32Å; S238-F242 PolarHBondContact O-N 3.28Å; R240-F242 VanDerWaalsContact C-N 3.26Å; R240-F242 PolarHBondContact O-N 3.14Å; F242-W244 PolarHBondContact O-N 3.38Å; F242-L245 WeakPolarHBondContact O-CB 3.47Å; F242-L245 PolarHBondContact O-N 3.26Å; F242-V246 HydrophobicContact CD1-CG2 4.41Å; F242-V246 HydrophobicContact CE1-CG2 4.05Å; F242-V246 HydrophobicContact CE2-CG2 4.27Å; F242-V246 HydrophobicContact CZ-CG2 3.99Å; F242-V246 WeakPolarHBondContact O-CG2 3.46Å; F242-V246 PolarHBondContact O-N 2.96Å |
| 243 | W | 86.6 | Confident | 81.3 | Confident | 152 Ų | 152 | 82.5 Ų | 82.5 | 58% | 0.576 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -66.8 | -37.4 | 178.6 | -77.6 | 110.5 | 0 | 0 | 0 | 113.1 | R239 R240 A241 L245 V246 L247 | R239-W243 VanDerWaalsContact O-CD1 3.26Å; R239-W243 PolarHBondContact O-N 3.3Å; R240-W243 PolarHBondContact O-N 3.29Å; A241-W243 PolarHBondContact O-N 3.48Å; W243-L245 VanDerWaalsContact C-N 3.3Å; W243-L245 PolarHBondContact O-N 3.26Å; W243-V246 PolarHBondContact O-N 3.45Å; W243-L247 WeakPolarHBondContact O-CB 3.39Å; W243-L247 PolarHBondContact O-N 2.91Å |
| 244 | W | 89.4 | Confident | 82.5 | Confident | 168 Ų | 168 | 83 Ų | 83 | 64% | 0.636 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -62.9 | -37.8 | 172.6 | -77.2 | 116.5 | 0 | 0 | 0 | 112.4 | R240 A241 F242 L247 A248 | R240-W244 VanDerWaalsContact O-CD1 3.23Å; R240-W244 PolarHBondContact O-N 3.49Å; A241-W244 PolarHBondContact O-N 3.21Å; F242-W244 PolarHBondContact O-N 3.38Å; W244-L247 HydrophobicContact CE3-CD2 3.92Å; W244-L247 HydrophobicContact CZ3-CD2 3.77Å; W244-L247 PolarHBondContact O-N 3.3Å; W244-A248 WeakPolarHBondContact O-CB 3.36Å; W244-A248 PolarHBondContact O-N 2.94Å |
| 245 | L | 90.4 | Very high | 84 | Confident | 25 Ų | 25 | 80.8 Ų | 80.8 | 13% | 0.131 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -65.5 | -44.7 | 176.6 | -171.7 | 72.3 | 0 | 0 | 0 | 112 | A222 V225 Y226 A241 F242 W243 L247 A248 G249 | A222-L245 HydrophobicContact CB-CD1 3.77Å; A222-L245 HydrophobicContact CB-CD2 4.2Å; A222-L245 HydrophobicContact CB-CG 3.78Å; A222-L245 WeakPolarHBondContact O-CD2 3.45Å; V225-L245 HydrophobicContact CB-CD1 4.14Å; V225-L245 HydrophobicContact CG1-CD1 4.05Å; Y226-L245 HydrophobicContact CD2-CD2 4.3Å; Y226-L245 HydrophobicContact CG-CD2 4.42Å; A241-L245 WeakPolarHBondContact O-CB 3.38Å; A241-L245 PolarHBondContact O-N 3.29Å; F242-L245 WeakPolarHBondContact O-CB 3.47Å; F242-L245 PolarHBondContact O-N 3.26Å; W243-L245 VanDerWaalsContact C-N 3.3Å; W243-L245 PolarHBondContact O-N 3.26Å; L245-L247 VanDerWaalsContact C-N 3.34Å; L245-A248 PolarHBondContact O-N 3.43Å; L245-G249 PolarHBondContact O-N 2.95Å |
| 246 | V | 90.7 | Very high | 85.9 | Confident | 17 Ų | 17 | 80.9 Ų | 80.9 | 10% | 0.103 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -62.4 | -42.8 | 175.7 | 175.1 | 0 | 0 | 0 | 0 | 110.7 | Y163 W219 F242 W243 G249 W250 | Y163-V246 HydrophobicContact CE1-CG2 4.21Å; W219-V246 HydrophobicContact CH2-CB 4.34Å; W219-V246 HydrophobicContact CH2-CG1 4.22Å; W219-V246 HydrophobicContact CH2-CG2 4.1Å; W219-V246 HydrophobicContact CZ2-CG1 4.36Å; F242-V246 HydrophobicContact CD1-CG2 4.41Å; F242-V246 HydrophobicContact CE1-CG2 4.05Å; F242-V246 HydrophobicContact CE2-CG2 4.27Å; F242-V246 HydrophobicContact CZ-CG2 3.99Å; F242-V246 WeakPolarHBondContact O-CG2 3.46Å; F242-V246 PolarHBondContact O-N 2.96Å; W243-V246 PolarHBondContact O-N 3.45Å; V246-G249 PolarHBondContact O-N 3.46Å; V246-W250 PolarHBondContact O-N 2.93Å |
| 247 | L | 92.3 | Very high | 87.7 | Confident | 105 Ų | 105 | 75.3 Ų | 75.3 | 55% | 0.55 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.3 | -41.4 | 176.3 | -175.7 | 65.6 | 0 | 0 | 0 | 111.5 | W243 W244 L245 G251 | W243-L247 WeakPolarHBondContact O-CB 3.39Å; W243-L247 PolarHBondContact O-N 2.91Å; W244-L247 HydrophobicContact CE3-CD2 3.92Å; W244-L247 HydrophobicContact CZ3-CD2 3.77Å; W244-L247 PolarHBondContact O-N 3.3Å; L245-L247 VanDerWaalsContact C-N 3.34Å; L247-G251 VanDerWaalsContact O-CA 3.25Å; L247-G251 WeakPolarHBondContact O-CA 3.34Å; L247-G251 PolarHBondContact O-N 3.39Å |
| 248 | A | 92.5 | Very high | 89.3 | Confident | 39 Ų | 39 | 72.8 Ų | 72.8 | 32% | 0.322 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66.8 | -40.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | W244 L245 W250 L252 | W244-A248 WeakPolarHBondContact O-CB 3.36Å; W244-A248 PolarHBondContact O-N 2.94Å; L245-A248 PolarHBondContact O-N 3.43Å; A248-W250 VanDerWaalsContact C-N 3.33Å; A248-W250 PolarHBondContact O-N 2.94Å; A248-L252 HydrophobicContact CB-CD1 4.21Å; A248-L252 WeakPolarHBondContact O-CB 3.5Å; A248-L252 WeakPolarHBondContact O-CG 3.2Å; A248-L252 PolarHBondContact O-N 3.31Å; A248-L252 VanDerWaalsContact O-N 3.13Å |
| 249 | G | 93 | Very high | 90.5 | Very high | 2 Ų | 2 | 73 Ų | 73 | 2% | 0.021 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.2 | -34.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | S218 W219 L245 V246 P253 | S218-G249 WeakPolarHBondContact CB-O 3.18Å; W219-G249 PolarHBondContact NE1-O 2.93Å; L245-G249 PolarHBondContact O-N 2.95Å; V246-G249 PolarHBondContact O-N 3.46Å; G249-P253 WeakPolarHBondContact O-CD 3.43Å; G249-P253 WeakPolarHBondContact O-CG 3.25Å |
| 250 | W | 94.4 | Very high | 91.4 | Very high | 74 Ų | 74 | 63.8 Ų | 63.8 | 28% | 0.28 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -99.8 | -36.5 | 174.6 | -70 | 107.3 | 0 | 0 | 0 | 113.3 | T171 L174 F211 T215 W219 V246 A248 P253 V254 | T171-W250 HydrophobicContact CG2-CH2 4.36Å; T171-W250 HydrophobicContact CG2-CZ2 4.46Å; L174-W250 HydrophobicContact CD2-CH2 4.49Å; L174-W250 HydrophobicContact CD2-CZ3 4.21Å; F211-W250 HydrophobicContact CZ-CE3 4.32Å; F211-W250 HydrophobicContact CZ-CZ3 4.39Å; T215-W250 HydrophobicContact CG2-CD2 4.3Å; T215-W250 HydrophobicContact CG2-CE3 3.58Å; T215-W250 HydrophobicContact CG2-CH2 4.04Å; T215-W250 HydrophobicContact CG2-CZ3 3.46Å; T215-W250 VanDerWaalsContact CG2-CZ3 3.46Å; W219-W250 AromaticContact CE2-CD1 3.8Å; W219-W250 AromaticContact CE2-CE2 3.94Å; W219-W250 AromaticContact CE2-NE1 3.48Å; W219-W250 AromaticContact CZ2-CD1 3.39Å; W219-W250 HydrophobicContact CZ2-CG 4.34Å; W219-W250 AromaticContact CZ2-NE1 3.17Å; W219-W250 AromaticContact NE1-CD1 3.61Å; W219-W250 AromaticContact NE1-CD2 3.65Å; W219-W250 AromaticContact NE1-CE2 3.37Å; W219-W250 AromaticContact NE1-CG 3.77Å; W219-W250 AromaticContact NE1-CZ2 3.9Å; W219-W250 AromaticContact NE1-NE1 3.35Å; V246-W250 PolarHBondContact O-N 2.93Å; A248-W250 VanDerWaalsContact C-N 3.33Å; A248-W250 PolarHBondContact O-N 2.94Å; W250-P253 WeakPolarHBondContact O-CD 3.42Å; W250-V254 WeakPolarHBondContact O-CG2 3.16Å; W250-V254 PolarHBondContact O-N 3.43Å |
| 251 | G | 94.3 | Very high | 91.8 | Very high | 33 Ų | 33 | 56 Ų | 56 | 34% | 0.34 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -71.8 | -40.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L247 V254 L255 | L247-G251 VanDerWaalsContact O-CA 3.25Å; L247-G251 WeakPolarHBondContact O-CA 3.34Å; L247-G251 PolarHBondContact O-N 3.39Å; G251-V254 PolarHBondContact O-N 2.88Å; G251-L255 WeakPolarHBondContact O-CB 3.23Å; G251-L255 PolarHBondContact O-N 3.49Å |
| 252 | L | 93.7 | Very high | 92.3 | Very high | 77 Ų | 77 | 56.9 Ų | 56.9 | 40% | 0.403 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.5 | -47.1 | 177.3 | -67.5 | 173.6 | 0 | 0 | 0 | 111.7 | A248 V254 L255 F256 | A248-L252 HydrophobicContact CB-CD1 4.21Å; A248-L252 WeakPolarHBondContact O-CB 3.5Å; A248-L252 WeakPolarHBondContact O-CG 3.2Å; A248-L252 PolarHBondContact O-N 3.31Å; A248-L252 VanDerWaalsContact O-N 3.13Å; L252-V254 PolarHBondContact O-N 3.28Å; L252-L255 PolarHBondContact O-N 3.04Å; L252-F256 HydrophobicContact CB-CD2 4.41Å; L252-F256 HydrophobicContact CB-CE2 4.29Å; L252-F256 HydrophobicContact CD2-CE2 4.17Å; L252-F256 WeakPolarHBondContact O-CD2 3.33Å; L252-F256 PolarHBondContact O-N 3.03Å |
| 253 | P | 95.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -55.8 | -44.4 | 173.2 | -26.3 | 30.8 | 0 | 0 | 0 | 115 | F211 M214 T215 S218 G249 W250 L255 T257 | F211-P253 HydrophobicContact CD2-CB 4.12Å; F211-P253 HydrophobicContact CE2-CB 3.9Å; M214-P253 HydrophobicContact CB-CB 4.3Å; M214-P253 HydrophobicContact CG-CB 4.3Å; M214-P253 HydrophobicContact SD-CB 4.35Å; T215-P253 VanDerWaalsContact CA-CG 3.46Å; T215-P253 HydrophobicContact CG2-CG 4.44Å; T215-P253 WeakPolarHBondContact OG1-CB 3.22Å; S218-P253 WeakPolarHBondContact OG-CG 3.32Å; G249-P253 WeakPolarHBondContact O-CD 3.43Å; G249-P253 WeakPolarHBondContact O-CG 3.25Å; W250-P253 WeakPolarHBondContact O-CD 3.42Å; P253-L255 VanDerWaalsContact C-N 3.35Å; P253-T257 WeakPolarHBondContact O-CB 3.45Å; P253-T257 PolarHBondContact O-N 3.2Å; P253-T257 PolarHBondContact O-OG1 3.04Å |
| 254 | V | 95.6 | Very high | 92.6 | Very high | 86 Ų | 86 | 49.9 Ų | 49.9 | 52% | 0.521 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.8 | -44.2 | 178.1 | 171.8 | 0 | 0 | 0 | 0 | 110.6 | F211 W250 G251 L252 G258 | F211-V254 HydrophobicContact CE2-CG2 3.59Å; F211-V254 HydrophobicContact CZ-CG2 4.14Å; W250-V254 WeakPolarHBondContact O-CG2 3.16Å; W250-V254 PolarHBondContact O-N 3.43Å; G251-V254 PolarHBondContact O-N 2.88Å; L252-V254 PolarHBondContact O-N 3.28Å; V254-G258 WeakPolarHBondContact O-CA 3.42Å; V254-G258 PolarHBondContact O-N 3.24Å |
| 255 | L | 95.2 | Very high | 92.5 | Very high | 105 Ų | 105 | 46.4 Ų | 46.4 | 55% | 0.55 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.7 | -59 | 179.7 | -175.2 | 86.3 | 0 | 0 | 0 | 111.1 | G251 L252 P253 G258 T259 | G251-L255 WeakPolarHBondContact O-CB 3.23Å; G251-L255 PolarHBondContact O-N 3.49Å; L252-L255 PolarHBondContact O-N 3.04Å; P253-L255 VanDerWaalsContact C-N 3.35Å; L255-G258 PolarHBondContact O-N 2.91Å; L255-T259 WeakPolarHBondContact O-CB 3.33Å; L255-T259 PolarHBondContact O-N 3.45Å; L255-T259 PolarHBondContact O-OG1 3.27Å |
| 256 | F | 95.1 | Very high | 92.2 | Very high | 65 Ų | 65 | 48.7 Ų | 48.7 | 29% | 0.285 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -67.7 | -40.8 | -175.1 | -70.1 | -65.1 | 0 | 0 | 0 | 112.4 | M214 L252 T259 W260 P288 | M214-F256 HydrophobicContact CE-CB 3.78Å; M214-F256 HydrophobicContact SD-CB 3.52Å; M214-F256 VanDerWaalsContact SD-CB 3.52Å; M214-F256 HydrophobicContact SD-CD2 4.07Å; M214-F256 HydrophobicContact SD-CG 4.22Å; L252-F256 HydrophobicContact CB-CD2 4.41Å; L252-F256 HydrophobicContact CB-CE2 4.29Å; L252-F256 HydrophobicContact CD2-CE2 4.17Å; L252-F256 WeakPolarHBondContact O-CD2 3.33Å; L252-F256 PolarHBondContact O-N 3.03Å; F256-T259 PolarHBondContact O-N 3.44Å; F256-W260 WeakPolarHBondContact O-CB 3.23Å; F256-W260 PolarHBondContact O-N 2.86Å; F256-P288 HydrophobicContact CD1-CG 3.68Å; F256-P288 HydrophobicContact CD2-CB 4Å; F256-P288 HydrophobicContact CD2-CG 3.91Å; F256-P288 HydrophobicContact CE1-CG 3.72Å; F256-P288 HydrophobicContact CE2-CB 4Å; F256-P288 HydrophobicContact CE2-CG 3.95Å; F256-P288 HydrophobicContact CG-CB 4.35Å; F256-P288 HydrophobicContact CG-CG 3.8Å; F256-P288 HydrophobicContact CZ-CB 4.32Å; F256-P288 HydrophobicContact CZ-CG 3.86Å |
| 257 | T | 93.4 | Very high | 91.8 | Very high | 9 Ų | 9 | 54.3 Ų | 54.3 | 6% | 0.055 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.9 | -41 | 177.5 | -46 | 0 | 0 | 0 | 0 | 110.9 | H210 F211 M214 P253 T259 W260 V261 | H210-T257 HydrophobicContact CB-CG2 4.48Å; F211-T257 HydrophobicContact CB-CG2 3.99Å; M214-T257 WeakPolarHBondContact CE-OG1 3.33Å; P253-T257 WeakPolarHBondContact O-CB 3.45Å; P253-T257 PolarHBondContact O-N 3.2Å; P253-T257 PolarHBondContact O-OG1 3.04Å; T257-T259 PolarHBondContact O-N 3.39Å; T257-W260 PolarHBondContact O-N 2.87Å; T257-V261 HydrophobicContact CG2-CG2 4.37Å; T257-V261 WeakPolarHBondContact O-CB 3.28Å; T257-V261 VanDerWaalsContact O-CG2 3.31Å; T257-V261 WeakPolarHBondContact O-CG2 3.4Å; T257-V261 PolarHBondContact O-N 3.43Å |
| 258 | G | 93.5 | Very high | 91 | Very high | 32 Ų | 32 | 51.8 Ų | 51.8 | 33% | 0.33 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.7 | -41.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | V254 L255 S262 | V254-G258 WeakPolarHBondContact O-CA 3.42Å; V254-G258 PolarHBondContact O-N 3.24Å; L255-G258 PolarHBondContact O-N 2.91Å; G258-S262 WeakPolarHBondContact O-CB 3.39Å; G258-S262 PolarHBondContact O-N 2.9Å; G258-S262 PolarHBondContact O-OG 3.29Å |
| 259 | T | 93.1 | Very high | 90.2 | Very high | 66 Ų | 66 | 51.7 Ų | 51.7 | 41% | 0.405 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.9 | -46.3 | 173.1 | -60.3 | 0 | 0 | 0 | 0 | 111.3 | L255 F256 T257 S262 C263 I284 | L255-T259 WeakPolarHBondContact O-CB 3.33Å; L255-T259 PolarHBondContact O-N 3.45Å; L255-T259 PolarHBondContact O-OG1 3.27Å; F256-T259 PolarHBondContact O-N 3.44Å; T257-T259 PolarHBondContact O-N 3.39Å; T259-S262 PolarHBondContact O-N 2.87Å; T259-C263 PolarHBondContact O-N 3.45Å; T259-C263 PolarHBondContact O-SG 3.13Å; T259-C263 VanDerWaalsContact O-SG 3.36Å; T259-I284 HydrophobicContact CG2-CG2 4.36Å |
| 260 | W | 93.2 | Very high | 88.9 | Confident | 4 Ų | 4 | 57.2 Ų | 57.2 | 2% | 0.015 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.3 | -47.5 | 178.2 | 177.2 | 81.7 | 0 | 0 | 0 | 112.5 | V206 A207 H210 F256 T257 S262 C263 K264 W273 Y281 I284 I285 | V206-W260 HydrophobicContact CG1-CH2 4.08Å; A207-W260 HydrophobicContact CB-CZ3 4.42Å; H210-W260 AromaticContact CD2-CH2 3.48Å; H210-W260 VanDerWaalsContact CD2-CH2 3.48Å; H210-W260 WeakPolarHBondContact CD2-CH2 3.34Å; H210-W260 AromaticContact CD2-CZ2 3.91Å; H210-W260 AromaticContact CD2-CZ3 3.73Å; H210-W260 AromaticContact NE2-CH2 3.81Å; H210-W260 AromaticContact NE2-CZ2 3.89Å; F256-W260 WeakPolarHBondContact O-CB 3.23Å; F256-W260 PolarHBondContact O-N 2.86Å; T257-W260 PolarHBondContact O-N 2.87Å; W260-S262 VanDerWaalsContact C-N 3.28Å; W260-S262 PolarHBondContact O-N 3.49Å; W260-C263 PolarHBondContact O-N 2.87Å; W260-K264 HydrophobicContact CD2-CG 4.23Å; W260-K264 HydrophobicContact CH2-CG 4.35Å; W260-K264 HydrophobicContact CZ2-CD 4.47Å; W260-K264 HydrophobicContact CZ2-CG 3.88Å; W260-K264 PolarHBondContact O-N 2.8Å; W260-W273 HydrophobicContact CH2-CB 3.79Å; W260-W273 HydrophobicContact CH2-CD2 4.22Å; W260-W273 AromaticContact CH2-CE3 3.73Å; W260-W273 HydrophobicContact CH2-CE3 3.73Å; W260-W273 HydrophobicContact CH2-CG 4.31Å; W260-W273 HydrophobicContact CZ2-CB 4.22Å; W260-W273 AromaticContact CZ3-CE3 3.67Å; W260-W273 HydrophobicContact CZ3-CE3 3.67Å; W260-W273 HydrophobicContact CZ3-CZ3 4.18Å; W260-Y281 VanDerWaalsContact CD1-O 3.31Å; W260-I284 HydrophobicContact CB-CB 4.36Å; W260-I284 HydrophobicContact CB-CG2 3.95Å; W260-I285 HydrophobicContact CB-CD1 3.56Å; W260-I285 HydrophobicContact CB-CG1 3.86Å; W260-I285 HydrophobicContact CD2-CD1 4.17Å; W260-I285 HydrophobicContact CD2-CG1 3.94Å; W260-I285 HydrophobicContact CG-CD1 3.72Å; W260-I285 HydrophobicContact CG-CG1 3.51Å |
| 261 | V | 91.7 | Very high | 87.7 | Confident | 34 Ų | 34 | 54.8 Ų | 54.8 | 21% | 0.206 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -57.7 | -43.3 | 175.1 | 168.8 | 0 | 0 | 0 | 0 | 110.7 | A207 T257 K264 L265 W273 | A207-V261 HydrophobicContact CB-CG2 3.98Å; T257-V261 HydrophobicContact CG2-CG2 4.37Å; T257-V261 WeakPolarHBondContact O-CB 3.28Å; T257-V261 VanDerWaalsContact O-CG2 3.31Å; T257-V261 WeakPolarHBondContact O-CG2 3.4Å; T257-V261 PolarHBondContact O-N 3.43Å; V261-K264 PolarHBondContact O-N 2.88Å; V261-L265 HydrophobicContact CG1-CD1 3.79Å; V261-L265 HydrophobicContact CG1-CG 4.38Å; V261-L265 WeakPolarHBondContact O-CB 3.4Å; V261-L265 VanDerWaalsContact O-CG 3.31Å; V261-L265 WeakPolarHBondContact O-CG 3.41Å; V261-L265 PolarHBondContact O-N 3.42Å; V261-W273 HydrophobicContact CB-CZ3 4.46Å; V261-W273 HydrophobicContact CG1-CH2 3.93Å; V261-W273 HydrophobicContact CG1-CZ3 4.11Å; V261-W273 HydrophobicContact CG2-CZ3 4.09Å |
| 262 | S | 90.8 | Very high | 86.8 | Confident | 73 Ų | 73 | 53.8 Ų | 53.8 | 51% | 0.51 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.7 | -41 | 178.8 | -55.9 | 0 | 0 | 0 | 0 | 112 | G258 T259 W260 A266 | G258-S262 WeakPolarHBondContact O-CB 3.39Å; G258-S262 PolarHBondContact O-N 2.9Å; G258-S262 PolarHBondContact O-OG 3.29Å; T259-S262 PolarHBondContact O-N 2.87Å; W260-S262 VanDerWaalsContact C-N 3.28Å; W260-S262 PolarHBondContact O-N 3.49Å; S262-A266 VanDerWaalsContact O-CB 3.26Å; S262-A266 WeakPolarHBondContact O-CB 3.34Å; S262-A266 PolarHBondContact O-N 3.3Å |
| 263 | C | 89.8 | Confident | 86.1 | Confident | 25 Ų | 25 | 51.1 Ų | 51.1 | 17% | 0.169 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.8 | -45.1 | 175.2 | -70.6 | 0 | 0 | 0 | 0 | 111.7 | T259 W260 A266 F267 Y281 I284 | T259-C263 PolarHBondContact O-N 3.45Å; T259-C263 PolarHBondContact O-SG 3.13Å; T259-C263 VanDerWaalsContact O-SG 3.36Å; W260-C263 PolarHBondContact O-N 2.87Å; C263-A266 PolarHBondContact O-N 3.48Å; C263-F267 HydrophobicContact CB-CD2 4.49Å; C263-F267 WeakPolarHBondContact O-CD2 3.43Å; C263-F267 PolarHBondContact O-N 3.36Å; C263-Y281 HydrophobicContact CB-CD1 3.85Å; C263-Y281 HydrophobicContact CB-CE1 4.21Å; C263-Y281 HydrophobicContact CB-CG 4.3Å; C263-I284 HydrophobicContact CB-CD1 4.36Å |
| 264 | K | 86.8 | Confident | 85.1 | Confident | 8 Ų | 8 | 54 Ų | 54 | 4% | 0.035 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.4 | -45.6 | 177.4 | -79 | -66.3 | -168.4 | 178.6 | 0 | 111.8 | W260 V261 A266 E268 D269 W273 | W260-K264 HydrophobicContact CD2-CG 4.23Å; W260-K264 HydrophobicContact CH2-CG 4.35Å; W260-K264 HydrophobicContact CZ2-CD 4.47Å; W260-K264 HydrophobicContact CZ2-CG 3.88Å; W260-K264 PolarHBondContact O-N 2.8Å; V261-K264 PolarHBondContact O-N 2.88Å; K264-A266 VanDerWaalsContact C-N 3.3Å; K264-A266 PolarHBondContact O-N 3.23Å; K264-E268 HydrophobicContact CD-CB 4.11Å; K264-E268 IonicContact NZ-OE2 3.47Å; K264-E268 PolarHBondContact NZ-OE2 3.35Å; K264-E268 CarbonylContact O-C 3.55Å; K264-E268 WeakPolarHBondContact O-CA 3.33Å; K264-E268 PolarHBondContact O-N 2.88Å; K264-D269 PolarHBondContact O-N 3.44Å; K264-W273 HydrophobicContact CB-CD2 3.98Å; K264-W273 HydrophobicContact CB-CG 4.37Å; K264-W273 HydrophobicContact CB-CH2 4.46Å; K264-W273 HydrophobicContact CB-CZ2 3.93Å; K264-W273 HydrophobicContact CD-CG 4.38Å; K264-W273 HydrophobicContact CG-CD2 4.3Å; K264-W273 HydrophobicContact CG-CG 4.32Å |
| 265 | L | 86.6 | Confident | 83.5 | Confident | 96 Ų | 96 | 53.9 Ų | 53.9 | 50% | 0.503 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.6 | -34.3 | 175.6 | -72.7 | 169.2 | 0 | 0 | 0 | 113.4 | V261 W273 | V261-L265 HydrophobicContact CG1-CD1 3.79Å; V261-L265 HydrophobicContact CG1-CG 4.38Å; V261-L265 WeakPolarHBondContact O-CB 3.4Å; V261-L265 VanDerWaalsContact O-CG 3.31Å; V261-L265 WeakPolarHBondContact O-CG 3.41Å; V261-L265 PolarHBondContact O-N 3.42Å; L265-W273 HydrophobicContact CD1-CH2 4.5Å; L265-W273 HydrophobicContact CD2-CH2 3.94Å; L265-W273 HydrophobicContact CD2-CZ2 3.67Å; L265-W273 HydrophobicContact CG-CH2 3.85Å; L265-W273 HydrophobicContact CG-CZ2 3.79Å |
| 266 | A | 85.8 | Confident | 82 | Confident | 72 Ų | 72 | 53.2 Ų | 53.2 | 60% | 0.595 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -83.8 | -32.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | S262 C263 K264 | S262-A266 VanDerWaalsContact O-CB 3.26Å; S262-A266 WeakPolarHBondContact O-CB 3.34Å; S262-A266 PolarHBondContact O-N 3.3Å; C263-A266 PolarHBondContact O-N 3.48Å; K264-A266 VanDerWaalsContact C-N 3.3Å; K264-A266 PolarHBondContact O-N 3.23Å |
| 267 | F | 81.9 | Confident | 80.4 | Confident | 136 Ų | 136 | 56.1 Ų | 56.1 | 60% | 0.596 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -120.2 | -27 | -169.7 | -61.1 | -70.8 | 0 | 0 | 0 | 114.3 | C263 Y281 | C263-F267 HydrophobicContact CB-CD2 4.49Å; C263-F267 WeakPolarHBondContact O-CD2 3.43Å; C263-F267 PolarHBondContact O-N 3.36Å; F267-Y281 HydrophobicContact CB-CE2 4.03Å; F267-Y281 HydrophobicContact CD2-CE1 4.2Å; F267-Y281 AromaticContact CD2-CZ 3.87Å; F267-Y281 WeakPolarHBondContact CD2-OH 3.4Å; F267-Y281 WeakPolarHBondContact CG-OH 3.35Å |
| 268 | E | 75 | Confident | 79 | Confident | 51 Ų | 51 | 61.7 Ų | 61.7 | 24% | 0.238 | 36% | 0.355 | C | S | . | . | trans | -144.8 | 57.1 | -168.8 | -67.3 | 179.3 | 175.1 | 0 | 0 | 111.5 | K264 I270 S279 Y281 | K264-E268 HydrophobicContact CD-CB 4.11Å; K264-E268 IonicContact NZ-OE2 3.47Å; K264-E268 PolarHBondContact NZ-OE2 3.35Å; K264-E268 CarbonylContact O-C 3.55Å; K264-E268 WeakPolarHBondContact O-CA 3.33Å; K264-E268 PolarHBondContact O-N 2.88Å; E268-I270 VanDerWaalsContact C-N 3.26Å; E268-I270 PolarHBondContact O-N 3.1Å; E268-S279 VanDerWaalsContact CD-OG 3.29Å; E268-S279 PolarHBondContact OE1-OG 3.34Å; E268-S279 PolarHBondContact OE2-OG 3.41Å; E268-Y281 HydrophobicContact CG-CD2 4.39Å; E268-Y281 HydrophobicContact CG-CE2 4.17Å; E268-Y281 WeakPolarHBondContact OE1-CE2 3.17Å | ||
| 269 | D | 76.6 | Confident | 78.1 | Confident | 38 Ų | 38 | 60.5 Ų | 60.5 | 20% | 0.203 | 34% | 0.342 | C | S | . | . | trans | -91 | 31.5 | -179.3 | -158.5 | 38.9 | 0 | 0 | 0 | 113.9 | K203 K264 | K203-D269 VanDerWaalsContact CE-OD1 3.28Å; K203-D269 WeakPolarHBondContact CE-OD1 3.47Å; K203-D269 PolarHBondContact NZ-O 3.22Å; K203-D269 IonicContact NZ-OD1 2.99Å; K203-D269 PolarHBondContact NZ-OD1 3.15Å; K203-D269 IonicContact NZ-OD2 3.06Å; K203-D269 PolarHBondContact NZ-OD2 3.5Å; K203-D269 VanDerWaalsContact NZ-OD2 3.15Å; K264-D269 PolarHBondContact O-N 3.44Å | ||
| 270 | I | 64.9 | Low | 77.5 | Confident | 118 Ų | 118 | 61.9 Ų | 61.9 | 61% | 0.605 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -92.8 | -14.7 | -161 | -56.1 | 176.3 | 0 | 0 | 0 | 113.4 | H23 E268 | H23-I270 CarbonylContact C-O 3.59Å; H23-I270 HydrophobicContact CB-CG2 4.25Å; E268-I270 VanDerWaalsContact C-N 3.26Å; E268-I270 PolarHBondContact O-N 3.1Å |
| 271 | A | 68.5 | Low | 77 | Confident | 22 Ų | 22 | 64.4 Ų | 64.4 | 18% | 0.182 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -157 | -163.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | K203 | K203-A271 WeakPolarHBondContact CE-O 3.16Š|
| 272 | C | 76.1 | Confident | 76.6 | Confident | 12 Ų | 12 | 65.6 Ų | 65.6 | 8% | 0.081 | 36% | 0.362 | C | S | . | . | trans | -65.3 | 137.5 | 160.7 | -171.6 | 0 | 0 | 0 | 0 | 109.9 | C202 D274 | C202-C272 HydrophobicContact CB-CB 3.81Å; C202-C272 WeakPolarHBondContact CB-SG 3.47Å; C202-C272 WeakPolarHBondContact SG-CB 3.5Å; C202-C272 CovalentContact SG-SG 2.02Å; C202-C272 PolarHBondContact SG-SG 2.77Å; C272-D274 PolarHBondContact O-N 2.81Å | ||
| 273 | W | 78.6 | Confident | 76.5 | Confident | 21 Ų | 21 | 69.7 Ų | 69.7 | 8% | 0.08 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | 12.8 | -176 | -57.4 | -28.1 | 0 | 0 | 0 | 114.7 | K203 V206 A207 W260 V261 K264 L265 | K203-W273 HydrophobicContact CB-CD2 4.3Å; K203-W273 HydrophobicContact CB-CE3 4.2Å; K203-W273 HydrophobicContact CB-CH2 4.4Å; K203-W273 HydrophobicContact CB-CZ2 4.5Å; K203-W273 HydrophobicContact CB-CZ3 4.25Å; K203-W273 HydrophobicContact CD-CZ2 4.1Å; K203-W273 HydrophobicContact CG-CD2 3.97Å; K203-W273 HydrophobicContact CG-CE3 4.38Å; K203-W273 HydrophobicContact CG-CG 4.31Å; K203-W273 HydrophobicContact CG-CZ2 4.21Å; V206-W273 HydrophobicContact CG1-CB 4.19Å; A207-W273 HydrophobicContact CB-CZ3 4.26Å; W260-W273 HydrophobicContact CH2-CB 3.79Å; W260-W273 HydrophobicContact CH2-CD2 4.22Å; W260-W273 AromaticContact CH2-CE3 3.73Å; W260-W273 HydrophobicContact CH2-CE3 3.73Å; W260-W273 HydrophobicContact CH2-CG 4.31Å; W260-W273 HydrophobicContact CZ2-CB 4.22Å; W260-W273 AromaticContact CZ3-CE3 3.67Å; W260-W273 HydrophobicContact CZ3-CE3 3.67Å; W260-W273 HydrophobicContact CZ3-CZ3 4.18Å; V261-W273 HydrophobicContact CB-CZ3 4.46Å; V261-W273 HydrophobicContact CG1-CH2 3.93Å; V261-W273 HydrophobicContact CG1-CZ3 4.11Å; V261-W273 HydrophobicContact CG2-CZ3 4.09Å; K264-W273 HydrophobicContact CB-CD2 3.98Å; K264-W273 HydrophobicContact CB-CG 4.37Å; K264-W273 HydrophobicContact CB-CH2 4.46Å; K264-W273 HydrophobicContact CB-CZ2 3.93Å; K264-W273 HydrophobicContact CD-CG 4.38Å; K264-W273 HydrophobicContact CG-CD2 4.3Å; K264-W273 HydrophobicContact CG-CG 4.32Å; L265-W273 HydrophobicContact CD1-CH2 4.5Å; L265-W273 HydrophobicContact CD2-CH2 3.94Å; L265-W273 HydrophobicContact CD2-CZ2 3.67Å; L265-W273 HydrophobicContact CG-CH2 3.85Å; L265-W273 HydrophobicContact CG-CZ2 3.79Å |
| 274 | D | 74.9 | Confident | 76.5 | Confident | 61 Ų | 61 | 70.5 Ų | 70.5 | 33% | 0.326 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -17.2 | -177.7 | -149.5 | 39 | 0 | 0 | 0 | 114.1 | K182 V206 C272 | K182-D274 WeakPolarHBondContact CE-OD1 3.33Å; K182-D274 WeakPolarHBondContact CE-OD2 3.44Å; K182-D274 IonicContact NZ-OD1 2.58Å; K182-D274 PolarHBondContact NZ-OD1 2.86Å; K182-D274 IonicContact NZ-OD2 2.64Å; K182-D274 PolarHBondContact NZ-OD2 3.17Å; V206-D274 HydrophobicContact CG2-CB 3.93Å; C272-D274 PolarHBondContact O-N 2.81Å |
| 275 | L | 62.7 | Low | 76.7 | Confident | 83 Ų | 83 | 70.2 Ų | 70.2 | 44% | 0.435 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -97.1 | -13 | -162.5 | -68 | 162.5 | 0 | 0 | 0 | 115.3 | P26 | P26-L275 HydrophobicContact CG-CD1 3.71Š|
| 276 | D | 62.4 | Low | 76.7 | Confident | 92 Ų | 92 | 68.7 Ų | 68.7 | 49% | 0.492 | 36% | 0.357 | S | S | . | . | trans | -114 | 79.3 | -170 | -80.7 | -39 | 0 | 0 | 0 | 114 | T278 | D276-T278 PolarHBondContact O-N 3.39Š| ||
| 277 | D | 61.6 | Low | 76.8 | Confident | 125 Ų | 125 | 66.3 Ų | 66.3 | 67% | 0.668 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -16.4 | 169.6 | -91.5 | -29.8 | 0 | 0 | 0 | 113.3 | S279 W282 | D277-S279 VanDerWaalsContact C-N 3.35Å; D277-W282 PolarHBondContact OD1-NE1 2.78Å |
| 278 | T | 65.5 | Low | 77.3 | Confident | 127 Ų | 127 | 61.1 Ų | 61.1 | 78% | 0.779 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -16.3 | -179.1 | 57.5 | 0 | 0 | 0 | 0 | 113.2 | D276 | D276-T278 PolarHBondContact O-N 3.39Š|
| 279 | S | 73.5 | Confident | 78 | Confident | 7 Ų | 7 | 59.1 Ų | 59.1 | 5% | 0.049 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -67.5 | 133.7 | -176.3 | 177.4 | 0 | 0 | 0 | 0 | 111.5 | E268 D277 Y281 W282 | E268-S279 VanDerWaalsContact CD-OG 3.29Å; E268-S279 PolarHBondContact OE1-OG 3.34Å; E268-S279 PolarHBondContact OE2-OG 3.41Å; D277-S279 VanDerWaalsContact C-N 3.35Å; S279-Y281 PolarHBondContact O-N 2.91Å; S279-Y281 VanDerWaalsContact O-N 3.1Å; S279-Y281 WeakPolarHBondContact OG-CD2 3.44Å; S279-Y281 PolarHBondContact OG-N 3.47Å; S279-W282 VanDerWaalsContact O-CB 3.3Å; S279-W282 WeakPolarHBondContact O-CB 3.18Å; S279-W282 PolarHBondContact O-N 3.44Å |
| 280 | P | 80.9 | Confident | 78.5 | Confident | 95 Ų | 95 | 59.3 Ų | 59.3 | 62% | 0.617 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -60.5 | -23.8 | 176.6 | 26.2 | -34.9 | 0 | 0 | 0 | 112.4 | W282 W283 | P280-W282 PolarHBondContact O-N 2.85Å; P280-W283 PolarHBondContact O-N 2.97Å |
| 281 | Y | 82.9 | Confident | 79.8 | Confident | 57 Ų | 57 | 59.5 Ų | 59.5 | 22% | 0.224 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -67 | -19.6 | 177.8 | -56.4 | -63.6 | 0 | 0 | 0 | 112.7 | W260 C263 F267 E268 S279 W283 I284 | W260-Y281 VanDerWaalsContact CD1-O 3.31Å; C263-Y281 HydrophobicContact CB-CD1 3.85Å; C263-Y281 HydrophobicContact CB-CE1 4.21Å; C263-Y281 HydrophobicContact CB-CG 4.3Å; F267-Y281 HydrophobicContact CB-CE2 4.03Å; F267-Y281 HydrophobicContact CD2-CE1 4.2Å; F267-Y281 AromaticContact CD2-CZ 3.87Å; F267-Y281 WeakPolarHBondContact CD2-OH 3.4Å; F267-Y281 WeakPolarHBondContact CG-OH 3.35Å; E268-Y281 HydrophobicContact CG-CD2 4.39Å; E268-Y281 HydrophobicContact CG-CE2 4.17Å; E268-Y281 WeakPolarHBondContact OE1-CE2 3.17Å; S279-Y281 PolarHBondContact O-N 2.91Å; S279-Y281 VanDerWaalsContact O-N 3.1Å; S279-Y281 WeakPolarHBondContact OG-CD2 3.44Å; S279-Y281 PolarHBondContact OG-N 3.47Å; Y281-W283 PolarHBondContact O-N 3.2Å; Y281-I284 HydrophobicContact CD1-CD1 4.09Å; Y281-I284 VanDerWaalsContact O-CB 3.27Å; Y281-I284 WeakPolarHBondContact O-CB 3.46Å; Y281-I284 WeakPolarHBondContact O-CG1 3.4Å; Y281-I284 PolarHBondContact O-N 3.48Å |
| 282 | W | 83.5 | Confident | 80.8 | Confident | 58 Ų | 58 | 58.9 Ų | 58.9 | 22% | 0.22 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -59.3 | -32 | 176.9 | -178.1 | -158.5 | 0 | 0 | 0 | 112.7 | H210 D277 S279 P280 I284 I285 K286 | H210-W282 AromaticContact CE1-CH2 3.63Å; H210-W282 AromaticContact CE1-CZ3 3.39Å; H210-W282 WeakPolarHBondContact CE1-CZ3 3.43Å; H210-W282 AromaticContact ND1-CH2 3.91Å; H210-W282 AromaticContact ND1-CZ3 3.7Å; D277-W282 PolarHBondContact OD1-NE1 2.78Å; S279-W282 VanDerWaalsContact O-CB 3.3Å; S279-W282 WeakPolarHBondContact O-CB 3.18Å; S279-W282 PolarHBondContact O-N 3.44Å; P280-W282 PolarHBondContact O-N 2.85Å; W282-I284 PolarHBondContact O-N 2.7Å; W282-I284 VanDerWaalsContact O-N 3.15Å; W282-I285 HydrophobicContact CE3-CB 3.75Å; W282-I285 HydrophobicContact CE3-CG1 4.25Å; W282-I285 HydrophobicContact CE3-CG2 4.25Å; W282-I285 HydrophobicContact CH2-CB 4.31Å; W282-I285 HydrophobicContact CH2-CG2 3.92Å; W282-I285 HydrophobicContact CZ3-CB 3.38Å; W282-I285 HydrophobicContact CZ3-CG1 4.02Å; W282-I285 HydrophobicContact CZ3-CG2 3.37Å; W282-I285 PolarHBondContact O-N 3.39Å; W282-I285 VanDerWaalsContact O-N 3.09Å; W282-K286 HydrophobicContact CD2-CB 4.29Å; W282-K286 HydrophobicContact CZ2-CB 4.39Å; W282-K286 PolarHBondContact O-N 2.89Å |
| 283 | W | 87.9 | Confident | 81.3 | Confident | 160 Ų | 160 | 58.5 Ų | 58.5 | 61% | 0.606 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -63.1 | -20.3 | 176.5 | -81.9 | 102.1 | 0 | 0 | 0 | 114.4 | P280 Y281 I285 G287 | P280-W283 PolarHBondContact O-N 2.97Å; Y281-W283 PolarHBondContact O-N 3.2Å; W283-I285 PolarHBondContact O-N 2.9Å; W283-G287 WeakPolarHBondContact O-CA 3.41Å; W283-G287 PolarHBondContact O-N 3.46Å |
| 284 | I | 90.7 | Very high | 81.7 | Confident | 42 Ų | 42 | 59.4 Ų | 59.4 | 22% | 0.215 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.4 | -34.4 | 175.2 | -60.3 | 173.3 | 0 | 0 | 0 | 110.7 | T259 W260 C263 Y281 W282 P288 | T259-I284 HydrophobicContact CG2-CG2 4.36Å; W260-I284 HydrophobicContact CB-CB 4.36Å; W260-I284 HydrophobicContact CB-CG2 3.95Å; C263-I284 HydrophobicContact CB-CD1 4.36Å; Y281-I284 HydrophobicContact CD1-CD1 4.09Å; Y281-I284 VanDerWaalsContact O-CB 3.27Å; Y281-I284 WeakPolarHBondContact O-CB 3.46Å; Y281-I284 WeakPolarHBondContact O-CG1 3.4Å; Y281-I284 PolarHBondContact O-N 3.48Å; W282-I284 PolarHBondContact O-N 2.7Å; W282-I284 VanDerWaalsContact O-N 3.15Å; I284-P288 WeakPolarHBondContact O-CD 3.24Å; I284-P288 VanDerWaalsContact O-CG 3.29Å; I284-P288 WeakPolarHBondContact O-CG 3.28Å |
| 285 | I | 89.8 | Confident | 82.5 | Confident | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -93.2 | -49.6 | 177.4 | -57.5 | -65.4 | 0 | 0 | 0 | 110.5 | H210 M214 W260 W282 W283 G287 P288 I289 | H210-I285 HydrophobicContact CB-CG2 4.48Å; M214-I285 HydrophobicContact CE-CB 4.29Å; M214-I285 HydrophobicContact CE-CD1 3.26Å; M214-I285 HydrophobicContact CE-CG1 4.33Å; M214-I285 HydrophobicContact CE-CG2 3.93Å; W260-I285 HydrophobicContact CB-CD1 3.56Å; W260-I285 HydrophobicContact CB-CG1 3.86Å; W260-I285 HydrophobicContact CD2-CD1 4.17Å; W260-I285 HydrophobicContact CD2-CG1 3.94Å; W260-I285 HydrophobicContact CG-CD1 3.72Å; W260-I285 HydrophobicContact CG-CG1 3.51Å; W282-I285 HydrophobicContact CE3-CB 3.75Å; W282-I285 HydrophobicContact CE3-CG1 4.25Å; W282-I285 HydrophobicContact CE3-CG2 4.25Å; W282-I285 HydrophobicContact CH2-CB 4.31Å; W282-I285 HydrophobicContact CH2-CG2 3.92Å; W282-I285 HydrophobicContact CZ3-CB 3.38Å; W282-I285 HydrophobicContact CZ3-CG1 4.02Å; W282-I285 HydrophobicContact CZ3-CG2 3.37Å; W282-I285 PolarHBondContact O-N 3.39Å; W282-I285 VanDerWaalsContact O-N 3.09Å; W283-I285 PolarHBondContact O-N 2.9Å; I285-G287 PolarHBondContact O-N 3.48Å; I285-P288 WeakPolarHBondContact O-CD 3.34Å; I285-I289 HydrophobicContact CG2-CD1 3.82Å; I285-I289 WeakPolarHBondContact O-CG1 3.42Å; I285-I289 PolarHBondContact O-N 3.43Å |
| 286 | K | 86.8 | Confident | 83.7 | Confident | 65 Ų | 65 | 55.9 Ų | 55.9 | 28% | 0.283 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.7 | -41.3 | -175.2 | -171.7 | 175.5 | -176.6 | 174.1 | 0 | 112.4 | W282 I289 V290 | W282-K286 HydrophobicContact CD2-CB 4.29Å; W282-K286 HydrophobicContact CZ2-CB 4.39Å; W282-K286 PolarHBondContact O-N 2.89Å; K286-I289 PolarHBondContact O-N 2.95Å; K286-V290 HydrophobicContact CG-CG2 4.24Å; K286-V290 WeakPolarHBondContact O-CG2 3.29Å; K286-V290 PolarHBondContact O-N 3.4Å |
| 287 | G | 89.3 | Confident | 84.8 | Confident | 21 Ų | 21 | 55.1 Ų | 55.1 | 22% | 0.216 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.1 | -56.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | W283 I285 I289 V290 L291 | W283-G287 WeakPolarHBondContact O-CA 3.41Å; W283-G287 PolarHBondContact O-N 3.46Å; I285-G287 PolarHBondContact O-N 3.48Å; G287-I289 VanDerWaalsContact C-N 3.29Å; G287-I289 PolarHBondContact O-N 2.91Å; G287-V290 PolarHBondContact O-N 2.91Å; G287-L291 WeakPolarHBondContact O-CB 3.39Å; G287-L291 PolarHBondContact O-N 3.43Å |
| 288 | P | 92.3 | Very high | 86 | Confident | 28 Ų | 28 | 51 Ų | 51 | 18% | 0.182 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58 | -36.2 | 176.1 | -28.5 | 36.1 | 0 | 0 | 0 | 114.2 | F256 I284 I285 S292 | F256-P288 HydrophobicContact CD1-CG 3.68Å; F256-P288 HydrophobicContact CD2-CB 4Å; F256-P288 HydrophobicContact CD2-CG 3.91Å; F256-P288 HydrophobicContact CE1-CG 3.72Å; F256-P288 HydrophobicContact CE2-CB 4Å; F256-P288 HydrophobicContact CE2-CG 3.95Å; F256-P288 HydrophobicContact CG-CB 4.35Å; F256-P288 HydrophobicContact CG-CG 3.8Å; F256-P288 HydrophobicContact CZ-CB 4.32Å; F256-P288 HydrophobicContact CZ-CG 3.86Å; I284-P288 WeakPolarHBondContact O-CD 3.24Å; I284-P288 VanDerWaalsContact O-CG 3.29Å; I284-P288 WeakPolarHBondContact O-CG 3.28Å; I285-P288 WeakPolarHBondContact O-CD 3.34Å; P288-S292 VanDerWaalsContact O-CB 3.23Å; P288-S292 WeakPolarHBondContact O-CB 3.08Å; P288-S292 PolarHBondContact O-N 2.92Å |
| 289 | I | 89.4 | Confident | 87.1 | Confident | 9 Ų | 9 | 46.2 Ų | 46.2 | 5% | 0.046 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.6 | -52.4 | 176.5 | -68.1 | 171 | 0 | 0 | 0 | 110.4 | T213 M214 F217 I285 K286 G287 L291 S292 V293 Y342 | T213-I289 HydrophobicContact CG2-CD1 4.28Å; M214-I289 HydrophobicContact CG-CG1 4.36Å; F217-I289 HydrophobicContact CD2-CD1 4.49Å; F217-I289 HydrophobicContact CD2-CG1 4.23Å; F217-I289 HydrophobicContact CD2-CG2 3.68Å; F217-I289 HydrophobicContact CE2-CG2 3.7Å; F217-I289 HydrophobicContact CG-CG2 4.15Å; F217-I289 HydrophobicContact CZ-CG2 4.18Å; I285-I289 HydrophobicContact CG2-CD1 3.82Å; I285-I289 WeakPolarHBondContact O-CG1 3.42Å; I285-I289 PolarHBondContact O-N 3.43Å; K286-I289 PolarHBondContact O-N 2.95Å; G287-I289 VanDerWaalsContact C-N 3.29Å; G287-I289 PolarHBondContact O-N 2.91Å; I289-L291 VanDerWaalsContact C-N 3.32Å; I289-L291 PolarHBondContact O-N 3.34Å; I289-S292 WeakPolarHBondContact O-CB 3.17Å; I289-S292 PolarHBondContact O-N 2.99Å; I289-V293 HydrophobicContact CG2-CG2 4.5Å; I289-V293 WeakPolarHBondContact O-CG2 3.34Å; I289-V293 PolarHBondContact O-N 3.19Å; I289-Y342 HydrophobicContact CG2-CE1 4.22Å |
| 290 | V | 87.5 | Confident | 87.7 | Confident | 42 Ų | 42 | 46.4 Ų | 46.4 | 26% | 0.255 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60 | -42.9 | 179.3 | 172.6 | 0 | 0 | 0 | 0 | 111 | K286 G287 V293 G294 Y342 | K286-V290 HydrophobicContact CG-CG2 4.24Å; K286-V290 WeakPolarHBondContact O-CG2 3.29Å; K286-V290 PolarHBondContact O-N 3.4Å; G287-V290 PolarHBondContact O-N 2.91Å; V290-V293 PolarHBondContact O-N 2.92Å; V290-G294 PolarHBondContact O-N 3.2Å; V290-Y342 HydrophobicContact CG2-CE1 4.48Å |
| 291 | L | 90.6 | Very high | 87.9 | Confident | 121 Ų | 121 | 46.1 Ų | 46.1 | 63% | 0.634 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -61.4 | -46.8 | 175.8 | 179.5 | 62.6 | 0 | 0 | 0 | 111.8 | G287 I289 V293 G294 V295 | G287-L291 WeakPolarHBondContact O-CB 3.39Å; G287-L291 PolarHBondContact O-N 3.43Å; I289-L291 VanDerWaalsContact C-N 3.32Å; I289-L291 PolarHBondContact O-N 3.34Å; L291-V293 VanDerWaalsContact C-N 3.34Å; L291-V293 PolarHBondContact O-N 3.39Å; L291-G294 PolarHBondContact O-N 3.17Å; L291-V295 HydrophobicContact CD1-CG2 4.28Å; L291-V295 WeakPolarHBondContact O-CG2 3.48Å; L291-V295 PolarHBondContact O-N 3.24Å |
| 292 | S | 90.5 | Very high | 88.1 | Confident | 10 Ų | 10 | 46.1 Ų | 46.1 | 7% | 0.07 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.4 | -46.6 | 178.5 | -179.4 | 0 | 0 | 0 | 0 | 111.5 | F217 L221 P288 I289 V295 N296 | F217-S292 PolarHBondContact O-OG 3.48Å; L221-S292 WeakPolarHBondContact CB-OG 3.03Å; P288-S292 VanDerWaalsContact O-CB 3.23Å; P288-S292 WeakPolarHBondContact O-CB 3.08Å; P288-S292 PolarHBondContact O-N 2.92Å; I289-S292 WeakPolarHBondContact O-CB 3.17Å; I289-S292 PolarHBondContact O-N 2.99Å; S292-V295 PolarHBondContact O-N 2.92Å; S292-N296 WeakPolarHBondContact O-CB 3.44Å; S292-N296 PolarHBondContact O-N 3.48Å |
| 293 | V | 87 | Confident | 88.1 | Confident | 4 Ų | 4 | 43.7 Ų | 43.7 | 2% | 0.024 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.7 | -44 | 177.6 | 173.7 | 0 | 0 | 0 | 0 | 111.2 | F217 I289 V290 L291 N296 F297 Y342 I343 | F217-V293 HydrophobicContact CD1-CG2 3.61Å; F217-V293 HydrophobicContact CE1-CG2 3.5Å; F217-V293 HydrophobicContact CZ-CG2 4.36Å; I289-V293 HydrophobicContact CG2-CG2 4.5Å; I289-V293 WeakPolarHBondContact O-CG2 3.34Å; I289-V293 PolarHBondContact O-N 3.19Å; V290-V293 PolarHBondContact O-N 2.92Å; L291-V293 VanDerWaalsContact C-N 3.34Å; L291-V293 PolarHBondContact O-N 3.39Å; V293-N296 WeakPolarHBondContact O-CB 3.48Å; V293-N296 PolarHBondContact O-N 2.9Å; V293-F297 PolarHBondContact O-N 3.45Å; V293-Y342 HydrophobicContact CB-CD1 4.47Å; V293-Y342 HydrophobicContact CG1-CD1 4.21Å; V293-Y342 HydrophobicContact CG2-CD1 4.02Å; V293-I343 HydrophobicContact CG1-CD1 3.78Å; V293-I343 HydrophobicContact CG1-CG1 3.24Å |
| 294 | G | 87.2 | Confident | 87.8 | Confident | 39 Ų | 39 | 38.4 Ų | 38.4 | 40% | 0.402 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.4 | -44.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | V290 L291 N296 F297 G298 | V290-G294 PolarHBondContact O-N 3.2Å; L291-G294 PolarHBondContact O-N 3.17Å; G294-N296 VanDerWaalsContact C-N 3.34Å; G294-F297 PolarHBondContact O-N 3.46Å; G294-G298 PolarHBondContact O-N 2.96Å; G294-G298 VanDerWaalsContact O-N 3.15Å |
| 295 | V | 90.3 | Very high | 87.6 | Confident | 67 Ų | 67 | 43.1 Ų | 43.1 | 41% | 0.406 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.9 | -41.9 | 175 | 176 | 0 | 0 | 0 | 0 | 110.7 | L221 L291 S292 F297 G298 L299 | L221-V295 HydrophobicContact CD1-CB 4.05Å; L221-V295 HydrophobicContact CD1-CG1 3.67Å; L291-V295 HydrophobicContact CD1-CG2 4.28Å; L291-V295 WeakPolarHBondContact O-CG2 3.48Å; L291-V295 PolarHBondContact O-N 3.24Å; S292-V295 PolarHBondContact O-N 2.92Å; V295-F297 VanDerWaalsContact C-N 3.31Å; V295-F297 PolarHBondContact O-N 2.87Å; V295-G298 PolarHBondContact O-N 3.33Å; V295-G298 VanDerWaalsContact O-N 3.16Å; V295-L299 HydrophobicContact CG1-CD1 4.12Å; V295-L299 HydrophobicContact CG1-CG 4.38Å; V295-L299 WeakPolarHBondContact O-CG 3.31Å; V295-L299 PolarHBondContact O-N 3.43Å |
| 296 | N | 88.2 | Confident | 87.3 | Confident | 4 Ų | 4 | 44.3 Ų | 44.3 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60 | -41.8 | 178.3 | -162 | 9 | 0 | 0 | 0 | 112 | L221 A224 S292 V293 G294 G298 L299 F300 F338 | L221-N296 HydrophobicContact CD1-CB 4.49Å; A224-N296 WeakPolarHBondContact CB-OD1 3.42Å; S292-N296 WeakPolarHBondContact O-CB 3.44Å; S292-N296 PolarHBondContact O-N 3.48Å; V293-N296 WeakPolarHBondContact O-CB 3.48Å; V293-N296 PolarHBondContact O-N 2.9Å; G294-N296 VanDerWaalsContact C-N 3.34Å; N296-G298 PolarHBondContact O-N 3.32Å; N296-L299 PolarHBondContact O-N 3.43Å; N296-F300 WeakPolarHBondContact O-CB 3.28Å; N296-F300 PolarHBondContact O-N 3.05Å; N296-F338 WeakPolarHBondContact ND2-CA 3.4Å; N296-F338 PolarHBondContact ND2-O 3.38Å; N296-F338 WeakPolarHBondContact OD1-CD1 3.5Å |
| 297 | F | 85.4 | Confident | 87 | Confident | 76 Ų | 76 | 44.1 Ų | 44.1 | 33% | 0.333 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.5 | -42.2 | 174.2 | 179.8 | -105.6 | 0 | 0 | 0 | 112.8 | V293 G294 V295 L299 F300 L301 I340 I343 | V293-F297 PolarHBondContact O-N 3.45Å; G294-F297 PolarHBondContact O-N 3.46Å; V295-F297 VanDerWaalsContact C-N 3.31Å; V295-F297 PolarHBondContact O-N 2.87Å; F297-L299 VanDerWaalsContact C-N 3.33Å; F297-L299 PolarHBondContact O-N 3.19Å; F297-F300 WeakPolarHBondContact O-CB 2.85Å; F297-F300 PolarHBondContact O-N 3.3Å; F297-L301 HydrophobicContact CD1-CD1 4.21Å; F297-L301 HydrophobicContact CE1-CD1 3.69Å; F297-L301 HydrophobicContact CE1-CG 4.3Å; F297-L301 HydrophobicContact CZ-CD1 3.99Å; F297-L301 HydrophobicContact CZ-CD2 4.32Å; F297-L301 HydrophobicContact CZ-CG 4.27Å; F297-L301 WeakPolarHBondContact O-CG 3.46Å; F297-L301 PolarHBondContact O-N 2.81Å; F297-I340 HydrophobicContact CD2-CD1 4.17Å; F297-I340 HydrophobicContact CD2-CG1 4.19Å; F297-I340 HydrophobicContact CD2-CG2 4.01Å; F297-I340 HydrophobicContact CE2-CG2 4.17Å; F297-I343 HydrophobicContact CB-CD1 3.33Å; F297-I343 HydrophobicContact CD1-CD1 4.31Å; F297-I343 HydrophobicContact CD2-CD1 4.1Å; F297-I343 HydrophobicContact CG-CD1 3.68Å |
| 298 | G | 87.3 | Confident | 86.5 | Confident | 39 Ų | 39 | 45.6 Ų | 45.6 | 40% | 0.402 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59.6 | -42.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.8 | G294 V295 N296 L301 N302 | G294-G298 PolarHBondContact O-N 2.96Å; G294-G298 VanDerWaalsContact O-N 3.15Å; V295-G298 PolarHBondContact O-N 3.33Å; V295-G298 VanDerWaalsContact O-N 3.16Å; N296-G298 PolarHBondContact O-N 3.32Å; G298-L301 PolarHBondContact O-N 2.57Å; G298-N302 PolarHBondContact O-N 2.92Å; G298-N302 VanDerWaalsContact O-N 3.15Å |
| 299 | L | 88.5 | Confident | 86.1 | Confident | 26 Ų | 26 | 51 Ų | 51 | 14% | 0.136 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.3 | -41.8 | 175.6 | -67.8 | 171.2 | 0 | 0 | 0 | 111.9 | L221 A224 V225 N228 V295 N296 F297 L301 N302 I303 | L221-L299 HydrophobicContact CD1-CD1 3.91Å; A224-L299 HydrophobicContact CB-CB 4.35Å; A224-L299 HydrophobicContact CB-CD1 3.9Å; V225-L299 HydrophobicContact CB-CD1 4.48Å; V225-L299 HydrophobicContact CG2-CD1 3.56Å; N228-L299 HydrophobicContact CB-CD2 4.11Å; V295-L299 HydrophobicContact CG1-CD1 4.12Å; V295-L299 HydrophobicContact CG1-CG 4.38Å; V295-L299 WeakPolarHBondContact O-CG 3.31Å; V295-L299 PolarHBondContact O-N 3.43Å; N296-L299 PolarHBondContact O-N 3.43Å; F297-L299 VanDerWaalsContact C-N 3.33Å; F297-L299 PolarHBondContact O-N 3.19Å; L299-L301 PolarHBondContact O-N 3.45Å; L299-N302 WeakPolarHBondContact O-CB 3.41Å; L299-N302 PolarHBondContact O-N 3.45Å; L299-N302 VanDerWaalsContact O-N 3.14Å; L299-I303 VanDerWaalsContact O-CG1 3.3Å; L299-I303 WeakPolarHBondContact O-CG1 3.41Å; L299-I303 PolarHBondContact O-N 3.15Å |
| 300 | F | 85.5 | Confident | 85.4 | Confident | 11 Ų | 11 | 56.4 Ų | 56.4 | 5% | 0.048 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.9 | -47 | 176 | 172.3 | -109.6 | 0 | 0 | 0 | 112 | N296 F297 N302 I303 I304 T331 L334 I335 F338 I340 | N296-F300 WeakPolarHBondContact O-CB 3.28Å; N296-F300 PolarHBondContact O-N 3.05Å; F297-F300 WeakPolarHBondContact O-CB 2.85Å; F297-F300 PolarHBondContact O-N 3.3Å; F300-N302 VanDerWaalsContact C-N 3.29Å; F300-N302 PolarHBondContact O-N 3.24Å; F300-I303 PolarHBondContact O-N 3.41Å; F300-I304 HydrophobicContact CD1-CD1 3.82Å; F300-I304 HydrophobicContact CD2-CD1 4.2Å; F300-I304 HydrophobicContact CD2-CG1 4.49Å; F300-I304 HydrophobicContact CE1-CD1 3.31Å; F300-I304 HydrophobicContact CE1-CG1 4.49Å; F300-I304 HydrophobicContact CE2-CD1 3.74Å; F300-I304 HydrophobicContact CE2-CG1 4.19Å; F300-I304 HydrophobicContact CG-CD1 4.27Å; F300-I304 HydrophobicContact CZ-CD1 3.3Å; F300-I304 HydrophobicContact CZ-CG1 4.23Å; F300-I304 WeakPolarHBondContact O-CG1 3.25Å; F300-I304 PolarHBondContact O-N 2.91Å; F300-T331 HydrophobicContact CE2-CG2 3.95Å; F300-T331 HydrophobicContact CZ-CG2 3.73Å; F300-L334 HydrophobicContact CE2-CB 4.16Å; F300-I335 HydrophobicContact CE1-CG1 4.28Å; F300-I335 HydrophobicContact CE2-CG1 4.46Å; F300-I335 HydrophobicContact CZ-CD1 4.48Å; F300-I335 HydrophobicContact CZ-CG1 3.66Å; F300-F338 HydrophobicContact CB-CD2 4.22Å; F300-F338 AromaticContact CD2-CD2 3.38Å; F300-F338 HydrophobicContact CD2-CD2 3.38Å; F300-F338 AromaticContact CD2-CE2 3.56Å; F300-F338 HydrophobicContact CD2-CE2 3.56Å; F300-F338 HydrophobicContact CD2-CG 4.44Å; F300-F338 AromaticContact CE2-CD2 3.99Å; F300-F338 HydrophobicContact CE2-CD2 3.99Å; F300-F338 HydrophobicContact CE2-CE2 4.19Å; F300-F338 HydrophobicContact CG-CD2 4.1Å; F300-I340 HydrophobicContact CB-CD1 4.32Å; F300-I340 HydrophobicContact CD1-CD1 3.31Å; F300-I340 HydrophobicContact CD2-CD1 4.17Å; F300-I340 HydrophobicContact CE1-CD1 3.4Å; F300-I340 VanDerWaalsContact CE1-CD1 3.4Å; F300-I340 HydrophobicContact CE2-CD1 4.25Å; F300-I340 HydrophobicContact CG-CD1 3.68Å; F300-I340 HydrophobicContact CZ-CD1 3.86Å |
| 301 | L | 85 | Confident | 84.6 | Confident | 89 Ų | 89 | 56 Ų | 56 | 47% | 0.466 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.4 | -39.6 | 175.3 | -67 | 179.5 | 0 | 0 | 0 | 111.8 | F297 G298 L299 I304 R305 | F297-L301 HydrophobicContact CD1-CD1 4.21Å; F297-L301 HydrophobicContact CE1-CD1 3.69Å; F297-L301 HydrophobicContact CE1-CG 4.3Å; F297-L301 HydrophobicContact CZ-CD1 3.99Å; F297-L301 HydrophobicContact CZ-CD2 4.32Å; F297-L301 HydrophobicContact CZ-CG 4.27Å; F297-L301 WeakPolarHBondContact O-CG 3.46Å; F297-L301 PolarHBondContact O-N 2.81Å; G298-L301 PolarHBondContact O-N 2.57Å; L299-L301 PolarHBondContact O-N 3.45Å; L301-I304 PolarHBondContact O-N 3.29Å; L301-R305 WeakPolarHBondContact O-CB 3.49Å; L301-R305 PolarHBondContact O-N 3.39Å |
| 302 | N | 86.6 | Confident | 83.6 | Confident | 56 Ų | 56 | 56.5 Ų | 56.5 | 30% | 0.299 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -66.9 | -41.2 | 176.4 | -167.9 | 48 | 0 | 0 | 0 | 112.4 | N228 G298 L299 F300 R305 I306 | N228-N302 PolarHBondContact OD1-ND2 2.95Å; G298-N302 PolarHBondContact O-N 2.92Å; G298-N302 VanDerWaalsContact O-N 3.15Å; L299-N302 WeakPolarHBondContact O-CB 3.41Å; L299-N302 PolarHBondContact O-N 3.45Å; L299-N302 VanDerWaalsContact O-N 3.14Å; F300-N302 VanDerWaalsContact C-N 3.29Å; F300-N302 PolarHBondContact O-N 3.24Å; N302-R305 WeakPolarHBondContact O-CB 3.47Å; N302-R305 PolarHBondContact O-N 2.7Å; N302-I306 WeakPolarHBondContact O-CG1 3.27Å; N302-I306 PolarHBondContact O-N 3.31Å |
| 303 | I | 84.6 | Confident | 82.2 | Confident | 8 Ų | 8 | 61.4 Ų | 61.4 | 4% | 0.041 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.1 | -46.9 | 175.8 | -70.2 | 161.6 | 0 | 0 | 0 | 110.3 | L227 N228 L231 L299 F300 R305 I306 L307 F338 | L227-I303 HydrophobicContact CD2-CD1 3.95Å; L227-I303 HydrophobicContact CG-CD1 4.23Å; N228-I303 HydrophobicContact CB-CD1 4.47Å; N228-I303 HydrophobicContact CB-CG1 4.36Å; L231-I303 HydrophobicContact CD1-CB 4.44Å; L231-I303 HydrophobicContact CD1-CG1 4.17Å; L231-I303 HydrophobicContact CD1-CG2 3.84Å; L299-I303 VanDerWaalsContact O-CG1 3.3Å; L299-I303 WeakPolarHBondContact O-CG1 3.41Å; L299-I303 PolarHBondContact O-N 3.15Å; F300-I303 PolarHBondContact O-N 3.41Å; I303-R305 VanDerWaalsContact C-N 3.33Å; I303-R305 PolarHBondContact O-N 3.38Å; I303-I306 PolarHBondContact O-N 2.96Å; I303-L307 VanDerWaalsContact O-CB 3.28Å; I303-L307 WeakPolarHBondContact O-CB 3.33Å; I303-L307 PolarHBondContact O-N 2.89Å; I303-F338 HydrophobicContact CD1-CZ 4.38Å |
| 304 | I | 82.1 | Confident | 80.9 | Confident | 49 Ų | 49 | 65.1 Ų | 65.1 | 25% | 0.251 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58.1 | -47.3 | 174.9 | -69.9 | 168.4 | 0 | 0 | 0 | 110.3 | F300 L301 I306 L307 V308 T331 | F300-I304 HydrophobicContact CD1-CD1 3.82Å; F300-I304 HydrophobicContact CD2-CD1 4.2Å; F300-I304 HydrophobicContact CD2-CG1 4.49Å; F300-I304 HydrophobicContact CE1-CD1 3.31Å; F300-I304 HydrophobicContact CE1-CG1 4.49Å; F300-I304 HydrophobicContact CE2-CD1 3.74Å; F300-I304 HydrophobicContact CE2-CG1 4.19Å; F300-I304 HydrophobicContact CG-CD1 4.27Å; F300-I304 HydrophobicContact CZ-CD1 3.3Å; F300-I304 HydrophobicContact CZ-CG1 4.23Å; F300-I304 WeakPolarHBondContact O-CG1 3.25Å; F300-I304 PolarHBondContact O-N 2.91Å; L301-I304 PolarHBondContact O-N 3.29Å; I304-I306 VanDerWaalsContact C-N 3.34Å; I304-I306 PolarHBondContact O-N 2.97Å; I304-L307 PolarHBondContact O-N 3.4Å; I304-L307 VanDerWaalsContact O-N 3.15Å; I304-V308 HydrophobicContact CG2-CG2 4.07Å; I304-V308 WeakPolarHBondContact O-CG2 2.97Å; I304-V308 PolarHBondContact O-N 3.19Å; I304-T331 HydrophobicContact CD1-CG2 3.74Å; I304-T331 HydrophobicContact CG1-CG2 3.94Å |
| 305 | R | 85.4 | Confident | 79.3 | Confident | 140 Ų | 140 | 65.2 Ų | 65.2 | 53% | 0.528 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -58.2 | -45.1 | 179.3 | -175.1 | -177.3 | -173.9 | 178.6 | 5.2 | 112 | L301 N302 I303 L307 R309 | L301-R305 WeakPolarHBondContact O-CB 3.49Å; L301-R305 PolarHBondContact O-N 3.39Å; N302-R305 WeakPolarHBondContact O-CB 3.47Å; N302-R305 PolarHBondContact O-N 2.7Å; I303-R305 VanDerWaalsContact C-N 3.33Å; I303-R305 PolarHBondContact O-N 3.38Å; R305-L307 VanDerWaalsContact C-N 3.35Å; R305-R309 WeakPolarHBondContact O-CB 3.3Å; R305-R309 VanDerWaalsContact O-CG 3.28Å; R305-R309 WeakPolarHBondContact O-CG 3.34Å; R305-R309 PolarHBondContact O-N 3.39Å; R305-R309 VanDerWaalsContact O-N 3.11Å |
| 306 | I | 83.4 | Confident | 77.5 | Confident | 27 Ų | 27 | 65.3 Ų | 65.3 | 14% | 0.138 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.1 | -41.3 | 177.3 | -67.1 | 166.3 | 0 | 0 | 0 | 110.5 | L231 N302 I303 I304 R309 K310 | L231-I306 HydrophobicContact CB-CD1 4.47Å; L231-I306 HydrophobicContact CB-CG2 4.31Å; N302-I306 WeakPolarHBondContact O-CG1 3.27Å; N302-I306 PolarHBondContact O-N 3.31Å; I303-I306 PolarHBondContact O-N 2.96Å; I304-I306 VanDerWaalsContact C-N 3.34Å; I304-I306 PolarHBondContact O-N 2.97Å; I306-R309 PolarHBondContact O-N 3.41Å; I306-K310 HydrophobicContact CG2-CD 4.14Å; I306-K310 WeakPolarHBondContact O-CG 2.96Å; I306-K310 PolarHBondContact O-N 2.84Å |
| 307 | L | 81.4 | Confident | 75.8 | Confident | 61 Ų | 61 | 70.3 Ų | 70.3 | 32% | 0.319 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.5 | -51.2 | -179.6 | -171.4 | 61 | 0 | 0 | 0 | 111 | I303 I304 R305 R309 K310 L311 L327 | I303-L307 VanDerWaalsContact O-CB 3.28Å; I303-L307 WeakPolarHBondContact O-CB 3.33Å; I303-L307 PolarHBondContact O-N 2.89Å; I304-L307 PolarHBondContact O-N 3.4Å; I304-L307 VanDerWaalsContact O-N 3.15Å; R305-L307 VanDerWaalsContact C-N 3.35Å; L307-R309 VanDerWaalsContact C-N 3.33Å; L307-R309 PolarHBondContact O-N 3.09Å; L307-K310 PolarHBondContact O-N 2.85Å; L307-K310 VanDerWaalsContact O-N 3.09Å; L307-L311 HydrophobicContact CD1-CD1 3.95Å; L307-L311 HydrophobicContact CG-CD1 3.83Å; L307-L311 WeakPolarHBondContact O-CD1 3.33Å; L307-L311 PolarHBondContact O-N 3.09Å; L307-L311 VanDerWaalsContact O-N 3.08Å; L307-L327 HydrophobicContact CD1-CD1 4.35Å; L307-L327 HydrophobicContact CD2-CD1 3.5Å; L307-L327 VanDerWaalsContact CD2-CD1 3.5Å; L307-L327 HydrophobicContact CD2-CD2 4.33Å; L307-L327 HydrophobicContact CD2-CG 4.12Å; L307-L327 HydrophobicContact CG-CD1 3.84Å; L307-L327 HydrophobicContact CG-CD2 4.32Å |
| 308 | V | 78.9 | Confident | 74.5 | Confident | 51 Ų | 51 | 74.5 Ų | 74.5 | 31% | 0.309 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -56.8 | -45.7 | 176.8 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | I304 K310 L311 E312 L327 | I304-V308 HydrophobicContact CG2-CG2 4.07Å; I304-V308 WeakPolarHBondContact O-CG2 2.97Å; I304-V308 PolarHBondContact O-N 3.19Å; V308-K310 VanDerWaalsContact C-N 3.32Å; V308-K310 PolarHBondContact O-N 2.88Å; V308-L311 PolarHBondContact O-N 2.77Å; V308-L311 VanDerWaalsContact O-N 3.13Å; V308-E312 PolarHBondContact O-N 3.1Å; V308-E312 VanDerWaalsContact O-N 3.15Å; V308-L327 HydrophobicContact CG2-CD2 4.44Å |
| 309 | R | 82.6 | Confident | 73.2 | Confident | 143 Ų | 143 | 79 Ų | 79 | 54% | 0.54 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.3 | -31.9 | 176.8 | -76.7 | 175.5 | 171.6 | -173.3 | -8.6 | 114.1 | R305 I306 L307 P313 | R305-R309 WeakPolarHBondContact O-CB 3.3Å; R305-R309 VanDerWaalsContact O-CG 3.28Å; R305-R309 WeakPolarHBondContact O-CG 3.34Å; R305-R309 PolarHBondContact O-N 3.39Å; R305-R309 VanDerWaalsContact O-N 3.11Å; I306-R309 PolarHBondContact O-N 3.41Å; L307-R309 VanDerWaalsContact C-N 3.33Å; L307-R309 PolarHBondContact O-N 3.09Å; R309-P313 WeakPolarHBondContact O-CD 3.31Å |
| 310 | K | 76.6 | Confident | 71.8 | Confident | 121 Ų | 121 | 80.5 Ų | 80.5 | 53% | 0.526 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -77.8 | -22 | 176.2 | -76.9 | -178.5 | -178.7 | 175.6 | 0 | 112.4 | L231 I306 L307 V308 | L231-K310 PolarHBondContact O-NZ 2.75Å; L231-K310 VanDerWaalsContact O-NZ 3.15Å; I306-K310 HydrophobicContact CG2-CD 4.14Å; I306-K310 WeakPolarHBondContact O-CG 2.96Å; I306-K310 PolarHBondContact O-N 2.84Å; L307-K310 PolarHBondContact O-N 2.85Å; L307-K310 VanDerWaalsContact O-N 3.09Å; V308-K310 VanDerWaalsContact C-N 3.32Å; V308-K310 PolarHBondContact O-N 2.88Å |
| 311 | L | 68.9 | Low | 70.6 | Confident | 35 Ų | 35 | 88.4 Ų | 88.4 | 18% | 0.183 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -81.1 | -33.4 | 175.6 | -86.3 | 115.7 | 0 | 0 | 0 | 113 | L307 V308 P313 A314 L327 | L307-L311 HydrophobicContact CD1-CD1 3.95Å; L307-L311 HydrophobicContact CG-CD1 3.83Å; L307-L311 WeakPolarHBondContact O-CD1 3.33Å; L307-L311 PolarHBondContact O-N 3.09Å; L307-L311 VanDerWaalsContact O-N 3.08Å; V308-L311 PolarHBondContact O-N 2.77Å; V308-L311 VanDerWaalsContact O-N 3.13Å; L311-P313 VanDerWaalsContact C-CD 3.48Å; L311-A314 PolarHBondContact O-N 3.15Å; L311-L327 HydrophobicContact CD1-CD1 3.81Å; L311-L327 HydrophobicContact CD1-CD2 3.7Å; L311-L327 HydrophobicContact CD1-CG 4.39Å |
| 312 | E | 70.6 | Confident | 69.5 | Low | 131 Ų | 131 | 87.2 Ų | 87.2 | 61% | 0.612 | 47% | 0.473 | S | S | * | . | G | 310 helix | trans | -57 | -41.9 | -175.9 | -162.9 | 176.5 | 162.3 | 0 | 0 | 115.3 | V308 A314 | V308-E312 PolarHBondContact O-N 3.1Å; V308-E312 VanDerWaalsContact O-N 3.15Å; E312-A314 VanDerWaalsContact C-N 3.3Å; E312-A314 PolarHBondContact O-N 2.75Å |
| 313 | P | 61.5 | Low | 68.4 | Low | 112 Ų | 112 | 87.2 Ų | 87.2 | 73% | 0.727 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | -77.4 | -11.5 | -178.2 | -0.7 | 13.9 | 0 | 0 | 0 | 114.1 | R309 L311 Q315 | R309-P313 WeakPolarHBondContact O-CD 3.31Å; L311-P313 VanDerWaalsContact C-CD 3.48Å; P313-Q315 VanDerWaalsContact C-N 3.35Å |
| 314 | A | 59.5 | Low | 67.3 | Low | 83 Ų | 83 | 91.1 Ų | 91.1 | 69% | 0.686 | 49% | 0.486 | S | S | * | . | G | 310 helix | trans | -87.7 | -0.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | L311 E312 | L311-A314 PolarHBondContact O-N 3.15Å; E312-A314 VanDerWaalsContact C-N 3.3Å; E312-A314 PolarHBondContact O-N 2.75Å |
| 315 | Q | 52.9 | Low | 66.5 | Low | 40 Ų | 40 | 97.2 Ų | 97.2 | 19% | 0.187 | 51% | 0.506 | C | S | . | . | trans | -121.6 | 89.7 | -161.2 | -68.3 | -178.2 | -8.6 | 0 | 0 | 113.5 | P313 S317 | P313-Q315 VanDerWaalsContact C-N 3.35Å; Q315-S317 PolarHBondContact O-N 3.01Å | ||
| 316 | G | 53.1 | Low | 65.6 | Low | 70 Ų | 70 | 98.2 Ų | 98.2 | 72% | 0.722 | 51% | 0.51 | S | S | * | . | trans | -71.1 | 102.8 | 155.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L318 | G316-L318 PolarHBondContact O-N 2.98Š| ||
| 317 | S | 52.4 | Low | 64.5 | Low | 109 Ų | 109 | 98.4 Ų | 98.4 | 76% | 0.762 | 51% | 0.511 | S | S | * | . | S | Bend | trans | 55.9 | -7.6 | 145.3 | 71.1 | 0 | 0 | 0 | 0 | 125.5 | Q315 | Q315-S317 PolarHBondContact O-N 3.01Š|
| 318 | L | 57.3 | Low | 63.5 | Low | 164 Ų | 164 | 99 Ų | 99 | 86% | 0.859 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -141.6 | -7 | 180 | -138.8 | 74.5 | 0 | 0 | 0 | 118.5 | G316 | G316-L318 PolarHBondContact O-N 2.98Š|
| 319 | H | 60.2 | Low | 63.2 | Low | 133 Ų | 133 | 101.8 Ų | 101.8 | 62% | 0.616 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -111.2 | 14.6 | -175.8 | -117.6 | 161.4 | 0 | 0 | 0 | 114.8 | S322 Q323 | H319-S322 PolarHBondContact CD2-OG 3.15Å; H319-S322 PolarHBondContact O-OG 2.97Å; H319-Q323 PolarHBondContact O-N 2.02Å |
| 320 | T | 59.3 | Low | 62.3 | Low | 58 Ų | 58 | 98.3 Ų | 98.3 | 36% | 0.356 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.5 | -55.2 | -170 | -43.3 | 0 | 0 | 0 | 0 | 111.5 | S322 Q323 Y324 | T320-S322 PolarHBondContact O-N 2.9Å; T320-Q323 PolarHBondContact O-N 3.45Å; T320-Y324 HydrophobicContact CG2-CD2 3.65Å; T320-Y324 HydrophobicContact CG2-CE2 3.27Å; T320-Y324 WeakPolarHBondContact O-CD2 3.39Å; T320-Y324 PolarHBondContact O-N 3.4Å |
| 321 | Q | 59.7 | Low | 61.9 | Low | 177 Ų | 177 | 93.6 Ų | 93.6 | 83% | 0.827 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.2 | -43.6 | -174.2 | -88.2 | -135.4 | -31.9 | 0 | 0 | 115 | Q323 Y324 W325 | Q321-Q323 VanDerWaalsContact C-N 3.34Å; Q321-Q323 PolarHBondContact O-N 2.95Å; Q321-Y324 PolarHBondContact O-N 3.09Å; Q321-W325 WeakPolarHBondContact O-CB 3.02Å; Q321-W325 PolarHBondContact O-N 2.93Å |
| 322 | S | 63.3 | Low | 61.8 | Low | 63 Ų | 63 | 97.1 Ų | 97.1 | 44% | 0.441 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.2 | -34.4 | -176.8 | 66.9 | 0 | 0 | 0 | 0 | 112.3 | H319 T320 R326 | H319-S322 PolarHBondContact CD2-OG 3.15Å; H319-S322 PolarHBondContact O-OG 2.97Å; T320-S322 PolarHBondContact O-N 2.9Å; S322-R326 WeakPolarHBondContact O-CB 3.16Å; S322-R326 PolarHBondContact O-N 3.36Å |
| 323 | Q | 63 | Low | 61.7 | Low | 56 Ų | 56 | 95 Ų | 95 | 26% | 0.262 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -75.7 | -38.1 | 177.4 | -68.9 | -170.1 | -9.9 | 0 | 0 | 112.4 | H319 T320 Q321 R326 L327 | H319-Q323 PolarHBondContact O-N 2.02Å; T320-Q323 PolarHBondContact O-N 3.45Å; Q321-Q323 VanDerWaalsContact C-N 3.34Å; Q321-Q323 PolarHBondContact O-N 2.95Å; Q323-R326 PolarHBondContact O-N 3.42Å; Q323-L327 WeakPolarHBondContact O-CB 3.18Å; Q323-L327 PolarHBondContact O-N 3.31Å |
| 324 | Y | 61.9 | Low | 62 | Low | 91 Ų | 91 | 91.3 Ų | 91.3 | 36% | 0.357 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64 | -44.2 | 173.2 | -83.2 | -104.1 | 0 | 0 | 0 | 111 | T320 Q321 R326 L327 S328 | T320-Y324 HydrophobicContact CG2-CD2 3.65Å; T320-Y324 HydrophobicContact CG2-CE2 3.27Å; T320-Y324 WeakPolarHBondContact O-CD2 3.39Å; T320-Y324 PolarHBondContact O-N 3.4Å; Q321-Y324 PolarHBondContact O-N 3.09Å; Y324-R326 VanDerWaalsContact C-N 3.34Å; Y324-R326 PolarHBondContact O-N 2.86Å; Y324-L327 WeakPolarHBondContact O-CB 3.43Å; Y324-L327 PolarHBondContact O-N 2.87Å; Y324-L327 VanDerWaalsContact O-N 3.12Å; Y324-S328 WeakPolarHBondContact O-CB 3.31Å; Y324-S328 PolarHBondContact O-N 3.27Å; Y324-S328 PolarHBondContact O-OG 3.49Å; Y324-S328 VanDerWaalsContact O-OG 3.06Å |
| 325 | W | 65 | Low | 62.3 | Low | 177 Ų | 177 | 90 Ų | 90 | 67% | 0.67 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -61.7 | -40.9 | 175.9 | -172.5 | 81.6 | 0 | 0 | 0 | 112.5 | Q321 L327 S328 K329 | Q321-W325 WeakPolarHBondContact O-CB 3.02Å; Q321-W325 PolarHBondContact O-N 2.93Å; W325-L327 VanDerWaalsContact C-N 3.32Å; W325-L327 PolarHBondContact O-N 3.44Å; W325-S328 PolarHBondContact O-N 3Å; W325-K329 HydrophobicContact CH2-CD 4.37Å; W325-K329 HydrophobicContact CZ3-CD 4.45Å; W325-K329 WeakPolarHBondContact O-CB 3.28Å; W325-K329 PolarHBondContact O-N 2.92Å |
| 326 | R | 66.1 | Low | 62.7 | Low | 161 Ų | 161 | 90 Ų | 90 | 61% | 0.608 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -62.4 | -39.2 | 173.6 | -173.7 | 176.6 | 65.9 | 177.8 | 0.6 | 112 | S322 Q323 Y324 S330 | S322-R326 WeakPolarHBondContact O-CB 3.16Å; S322-R326 PolarHBondContact O-N 3.36Å; Q323-R326 PolarHBondContact O-N 3.42Å; Y324-R326 VanDerWaalsContact C-N 3.34Å; Y324-R326 PolarHBondContact O-N 2.86Å; R326-S330 PolarHBondContact O-N 2.83Å; R326-S330 VanDerWaalsContact O-N 3.1Å |
| 327 | L | 61 | Low | 63.3 | Low | 31 Ų | 31 | 86.7 Ų | 86.7 | 16% | 0.162 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -66.1 | -50.1 | 176 | -163.3 | 71.1 | 0 | 0 | 0 | 111 | L307 V308 L311 Q323 Y324 W325 K329 S330 T331 | L307-L327 HydrophobicContact CD1-CD1 4.35Å; L307-L327 HydrophobicContact CD2-CD1 3.5Å; L307-L327 VanDerWaalsContact CD2-CD1 3.5Å; L307-L327 HydrophobicContact CD2-CD2 4.33Å; L307-L327 HydrophobicContact CD2-CG 4.12Å; L307-L327 HydrophobicContact CG-CD1 3.84Å; L307-L327 HydrophobicContact CG-CD2 4.32Å; V308-L327 HydrophobicContact CG2-CD2 4.44Å; L311-L327 HydrophobicContact CD1-CD1 3.81Å; L311-L327 HydrophobicContact CD1-CD2 3.7Å; L311-L327 HydrophobicContact CD1-CG 4.39Å; Q323-L327 WeakPolarHBondContact O-CB 3.18Å; Q323-L327 PolarHBondContact O-N 3.31Å; Y324-L327 WeakPolarHBondContact O-CB 3.43Å; Y324-L327 PolarHBondContact O-N 2.87Å; Y324-L327 VanDerWaalsContact O-N 3.12Å; W325-L327 VanDerWaalsContact C-N 3.32Å; W325-L327 PolarHBondContact O-N 3.44Å; L327-K329 PolarHBondContact O-N 2.85Å; L327-S330 CarbonylContact O-C 3.57Å; L327-S330 WeakPolarHBondContact O-CA 3.06Å; L327-S330 WeakPolarHBondContact O-CB 3.11Å; L327-S330 PolarHBondContact O-N 3.43Å; L327-T331 WeakPolarHBondContact O-CB 3.06Å; L327-T331 PolarHBondContact O-N 2.88Å; L327-T331 PolarHBondContact O-OG1 2.91Å; L327-T331 VanDerWaalsContact O-OG1 3.05Å |
| 328 | S | 60.9 | Low | 64 | Low | 74 Ų | 74 | 81.6 Ų | 81.6 | 52% | 0.517 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -55.5 | -41 | 176.2 | -61.8 | 0 | 0 | 0 | 0 | 111.5 | Y324 W325 T331 L332 | Y324-S328 WeakPolarHBondContact O-CB 3.31Å; Y324-S328 PolarHBondContact O-N 3.27Å; Y324-S328 PolarHBondContact O-OG 3.49Å; Y324-S328 VanDerWaalsContact O-OG 3.06Å; W325-S328 PolarHBondContact O-N 3Å; S328-T331 PolarHBondContact O-N 3.4Å; S328-L332 WeakPolarHBondContact O-CB 3.44Å; S328-L332 PolarHBondContact O-N 2.82Å |
| 329 | K | 70.5 | Confident | 64.5 | Low | 108 Ų | 108 | 73.8 Ų | 73.8 | 47% | 0.47 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.1 | -45 | 174.9 | -174.6 | 170.1 | -178.4 | 170.4 | 0 | 111.9 | W325 L327 L332 F333 | W325-K329 HydrophobicContact CH2-CD 4.37Å; W325-K329 HydrophobicContact CZ3-CD 4.45Å; W325-K329 WeakPolarHBondContact O-CB 3.28Å; W325-K329 PolarHBondContact O-N 2.92Å; L327-K329 PolarHBondContact O-N 2.85Å; K329-L332 PolarHBondContact O-N 3.15Å; K329-F333 HydrophobicContact CD-CE2 4.47Å; K329-F333 HydrophobicContact CG-CD2 4.29Å; K329-F333 HydrophobicContact CG-CE2 3.7Å; K329-F333 WeakPolarHBondContact O-CD2 3.26Å; K329-F333 PolarHBondContact O-N 3.48Å |
| 330 | S | 65.5 | Low | 64.9 | Low | 71 Ų | 71 | 68 Ų | 68 | 50% | 0.497 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65 | -38.8 | 176 | -167.7 | 0 | 0 | 0 | 0 | 112.6 | R326 L327 L334 | R326-S330 PolarHBondContact O-N 2.83Å; R326-S330 VanDerWaalsContact O-N 3.1Å; L327-S330 CarbonylContact O-C 3.57Å; L327-S330 WeakPolarHBondContact O-CA 3.06Å; L327-S330 WeakPolarHBondContact O-CB 3.11Å; L327-S330 PolarHBondContact O-N 3.43Å; S330-L334 PolarHBondContact O-N 3.06Å |
| 331 | T | 66.9 | Low | 65.5 | Low | 22 Ų | 22 | 66.4 Ų | 66.4 | 14% | 0.135 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -71.5 | -36.8 | 178.1 | -58.4 | 0 | 0 | 0 | 0 | 111.6 | F300 I304 L327 S328 F333 L334 I335 | F300-T331 HydrophobicContact CE2-CG2 3.95Å; F300-T331 HydrophobicContact CZ-CG2 3.73Å; I304-T331 HydrophobicContact CD1-CG2 3.74Å; I304-T331 HydrophobicContact CG1-CG2 3.94Å; L327-T331 WeakPolarHBondContact O-CB 3.06Å; L327-T331 PolarHBondContact O-N 2.88Å; L327-T331 PolarHBondContact O-OG1 2.91Å; L327-T331 VanDerWaalsContact O-OG1 3.05Å; S328-T331 PolarHBondContact O-N 3.4Å; T331-F333 VanDerWaalsContact C-N 3.28Å; T331-F333 PolarHBondContact O-N 2.88Å; T331-L334 WeakPolarHBondContact O-CA 3.03Å; T331-L334 WeakPolarHBondContact O-CB 3.42Å; T331-L334 PolarHBondContact O-N 3.12Å; T331-I335 PolarHBondContact O-N 2.95Å |
| 332 | L | 66.8 | Low | 66.1 | Low | 109 Ų | 109 | 59.8 Ų | 59.8 | 57% | 0.571 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -59.3 | -40.9 | 175.8 | -179.6 | 65 | 0 | 0 | 0 | 111.1 | S328 K329 L334 I335 P336 | S328-L332 WeakPolarHBondContact O-CB 3.44Å; S328-L332 PolarHBondContact O-N 2.82Å; K329-L332 PolarHBondContact O-N 3.15Å; L332-L334 PolarHBondContact O-N 3.01Å; L332-I335 HydrophobicContact CD1-CD1 4.18Å; L332-I335 WeakPolarHBondContact O-CB 3.08Å; L332-I335 PolarHBondContact O-N 3.24Å; L332-P336 WeakPolarHBondContact O-CD 3.48Å |
| 333 | F | 68.1 | Low | 66.3 | Low | 87 Ų | 87 | 58.2 Ų | 58.2 | 38% | 0.382 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -69 | -23 | 174.4 | -70.5 | -56.4 | 0 | 0 | 0 | 113.7 | K329 T331 I335 L375 | K329-F333 HydrophobicContact CD-CE2 4.47Å; K329-F333 HydrophobicContact CG-CD2 4.29Å; K329-F333 HydrophobicContact CG-CE2 3.7Å; K329-F333 WeakPolarHBondContact O-CD2 3.26Å; K329-F333 PolarHBondContact O-N 3.48Å; T331-F333 VanDerWaalsContact C-N 3.28Å; T331-F333 PolarHBondContact O-N 2.88Å; F333-I335 VanDerWaalsContact C-N 3.34Å; F333-L375 HydrophobicContact CB-CD1 3.77Å; F333-L375 HydrophobicContact CB-CD2 3.98Å; F333-L375 HydrophobicContact CD2-CD2 4.39Å; F333-L375 HydrophobicContact CG-CD2 4.17Å |
| 334 | L | 68.8 | Low | 66.6 | Low | 33 Ų | 33 | 60.3 Ų | 60.3 | 17% | 0.173 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -77.1 | -19.3 | 173.9 | -120 | 65.4 | 0 | 0 | 0 | 112.5 | F300 S330 T331 L332 L337 F338 | F300-L334 HydrophobicContact CE2-CB 4.16Å; S330-L334 PolarHBondContact O-N 3.06Å; T331-L334 WeakPolarHBondContact O-CA 3.03Å; T331-L334 WeakPolarHBondContact O-CB 3.42Å; T331-L334 PolarHBondContact O-N 3.12Å; L332-L334 PolarHBondContact O-N 3.01Å; L334-L337 HydrophobicContact CD1-CD2 4.03Å; L334-L337 HydrophobicContact CG-CD2 4.22Å; L334-L337 WeakPolarHBondContact O-CB 3.07Å; L334-L337 PolarHBondContact O-N 3.29Å; L334-F338 HydrophobicContact CB-CD2 4.33Å; L334-F338 HydrophobicContact CB-CE2 4.07Å; L334-F338 HydrophobicContact CD2-CE2 3.56Å; L334-F338 HydrophobicContact CD2-CZ 4.21Å; L334-F338 HydrophobicContact CG-CD2 4.18Å; L334-F338 HydrophobicContact CG-CE2 3.5Å; L334-F338 VanDerWaalsContact CG-CE2 3.5Å; L334-F338 HydrophobicContact CG-CZ 4.22Å; L334-F338 WeakPolarHBondContact O-CD2 3.19Å; L334-F338 PolarHBondContact O-N 3.02Å; L334-F338 VanDerWaalsContact O-N 3.12Å |
| 335 | I | 66.8 | Low | 66.7 | Low | 56 Ų | 56 | 57.3 Ų | 57.3 | 29% | 0.287 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -67.6 | -50.4 | -178.9 | -66.9 | 172.3 | 0 | 0 | 0 | 112 | F300 T331 L332 F333 L337 F338 I340 | F300-I335 HydrophobicContact CE1-CG1 4.28Å; F300-I335 HydrophobicContact CE2-CG1 4.46Å; F300-I335 HydrophobicContact CZ-CD1 4.48Å; F300-I335 HydrophobicContact CZ-CG1 3.66Å; T331-I335 PolarHBondContact O-N 2.95Å; L332-I335 HydrophobicContact CD1-CD1 4.18Å; L332-I335 WeakPolarHBondContact O-CB 3.08Å; L332-I335 PolarHBondContact O-N 3.24Å; F333-I335 VanDerWaalsContact C-N 3.34Å; I335-L337 PolarHBondContact O-N 3.41Å; I335-F338 PolarHBondContact O-N 3.35Å; I335-I340 HydrophobicContact CB-CD1 4.46Å; I335-I340 HydrophobicContact CG1-CD1 4.33Å; I335-I340 HydrophobicContact CG2-CB 3.94Å; I335-I340 HydrophobicContact CG2-CD1 4.31Å; I335-I340 HydrophobicContact CG2-CG2 4.19Å; I335-I340 PolarHBondContact O-N 3.22Å |
| 336 | P | 60.2 | Low | 66.9 | Low | 40 Ų | 40 | 51 Ų | 51 | 26% | 0.26 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -58.4 | -36.8 | 171.5 | -24.3 | 32.8 | 0 | 0 | 0 | 112.1 | L332 F338 G339 Q368 | L332-P336 WeakPolarHBondContact O-CD 3.48Å; P336-F338 PolarHBondContact O-N 3.27Å; P336-G339 PolarHBondContact O-N 3.03Å; P336-Q368 PolarHBondContact O-NE2 3.23Å |
| 337 | L | 66 | Low | 66.9 | Low | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.7 | -47.2 | -176.9 | -178.3 | 73.4 | 0 | 0 | 0 | 112.1 | L220 L334 I335 G339 Q368 V372 Y376 | L220-L337 WeakPolarHBondContact CD2-O 3.4Å; L334-L337 HydrophobicContact CD1-CD2 4.03Å; L334-L337 HydrophobicContact CG-CD2 4.22Å; L334-L337 WeakPolarHBondContact O-CB 3.07Å; L334-L337 PolarHBondContact O-N 3.29Å; I335-L337 PolarHBondContact O-N 3.41Å; L337-G339 PolarHBondContact O-N 3.1Å; L337-Q368 PolarHBondContact O-NE2 3.04Å; L337-V372 HydrophobicContact CD1-CB 4.03Å; L337-V372 HydrophobicContact CD1-CG1 3.8Å; L337-V372 HydrophobicContact CD1-CG2 3.23Å; L337-Y376 HydrophobicContact CD1-CE2 3.91Å; L337-Y376 HydrophobicContact CD2-CE2 3.61Å; L337-Y376 WeakPolarHBondContact CD2-OH 3.06Å; L337-Y376 HydrophobicContact CG-CE2 4.41Å |
| 338 | F | 67.3 | Low | 67 | Low | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.009 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | 7.8 | -178.5 | -67.1 | -60.7 | 0 | 0 | 0 | 114.4 | A224 L227 N296 F300 I303 L334 I335 P336 I340 | A224-F338 HydrophobicContact CB-CD1 4.05Å; A224-F338 HydrophobicContact CB-CE1 3.72Å; L227-F338 HydrophobicContact CD2-CZ 4.44Å; N296-F338 WeakPolarHBondContact ND2-CA 3.4Å; N296-F338 PolarHBondContact ND2-O 3.38Å; N296-F338 WeakPolarHBondContact OD1-CD1 3.5Å; F300-F338 HydrophobicContact CB-CD2 4.22Å; F300-F338 AromaticContact CD2-CD2 3.38Å; F300-F338 HydrophobicContact CD2-CD2 3.38Å; F300-F338 AromaticContact CD2-CE2 3.56Å; F300-F338 HydrophobicContact CD2-CE2 3.56Å; F300-F338 HydrophobicContact CD2-CG 4.44Å; F300-F338 AromaticContact CE2-CD2 3.99Å; F300-F338 HydrophobicContact CE2-CD2 3.99Å; F300-F338 HydrophobicContact CE2-CE2 4.19Å; F300-F338 HydrophobicContact CG-CD2 4.1Å; I303-F338 HydrophobicContact CD1-CZ 4.38Å; L334-F338 HydrophobicContact CB-CD2 4.33Å; L334-F338 HydrophobicContact CB-CE2 4.07Å; L334-F338 HydrophobicContact CD2-CE2 3.56Å; L334-F338 HydrophobicContact CD2-CZ 4.21Å; L334-F338 HydrophobicContact CG-CD2 4.18Å; L334-F338 HydrophobicContact CG-CE2 3.5Å; L334-F338 VanDerWaalsContact CG-CE2 3.5Å; L334-F338 HydrophobicContact CG-CZ 4.22Å; L334-F338 WeakPolarHBondContact O-CD2 3.19Å; L334-F338 PolarHBondContact O-N 3.02Å; L334-F338 VanDerWaalsContact O-N 3.12Å; I335-F338 PolarHBondContact O-N 3.35Å; P336-F338 PolarHBondContact O-N 3.27Å; F338-I340 HydrophobicContact CB-CD1 4.24Å; F338-I340 HydrophobicContact CB-CG1 3.97Å; F338-I340 PolarHBondContact O-N 3.04Å |
| 339 | G | 66.3 | Low | 66.8 | Low | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68 | 21.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | P336 L337 H341 Y342 | P336-G339 PolarHBondContact O-N 3.03Å; L337-G339 PolarHBondContact O-N 3.1Å; G339-H341 PolarHBondContact O-N 2.7Å; G339-Y342 WeakPolarHBondContact O-CB 3.25Å; G339-Y342 PolarHBondContact O-N 3.14Å |
| 340 | I | 69.1 | Low | 66.3 | Low | 12 Ų | 12 | 53.3 Ų | 53.3 | 6% | 0.062 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.9 | -29.4 | -177.2 | -60.7 | 177.4 | 0 | 0 | 0 | 111.2 | F297 F300 I335 F338 Y342 I343 I344 | F297-I340 HydrophobicContact CD2-CD1 4.17Å; F297-I340 HydrophobicContact CD2-CG1 4.19Å; F297-I340 HydrophobicContact CD2-CG2 4.01Å; F297-I340 HydrophobicContact CE2-CG2 4.17Å; F300-I340 HydrophobicContact CB-CD1 4.32Å; F300-I340 HydrophobicContact CD1-CD1 3.31Å; F300-I340 HydrophobicContact CD2-CD1 4.17Å; F300-I340 HydrophobicContact CE1-CD1 3.4Å; F300-I340 VanDerWaalsContact CE1-CD1 3.4Å; F300-I340 HydrophobicContact CE2-CD1 4.25Å; F300-I340 HydrophobicContact CG-CD1 3.68Å; F300-I340 HydrophobicContact CZ-CD1 3.86Å; I335-I340 HydrophobicContact CB-CD1 4.46Å; I335-I340 HydrophobicContact CG1-CD1 4.33Å; I335-I340 HydrophobicContact CG2-CB 3.94Å; I335-I340 HydrophobicContact CG2-CD1 4.31Å; I335-I340 HydrophobicContact CG2-CG2 4.19Å; I335-I340 PolarHBondContact O-N 3.22Å; F338-I340 HydrophobicContact CB-CD1 4.24Å; F338-I340 HydrophobicContact CB-CG1 3.97Å; F338-I340 PolarHBondContact O-N 3.04Å; I340-Y342 PolarHBondContact O-N 2.69Å; I340-I343 WeakPolarHBondContact O-CB 3.45Å; I340-I343 PolarHBondContact O-N 3.48Å; I340-I344 PolarHBondContact O-N 2.89Å |
| 341 | H | 73.3 | Confident | 65.8 | Low | 24 Ų | 24 | 57.5 Ų | 57.5 | 11% | 0.111 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -55.8 | -33.6 | 172.6 | 62.9 | -87.3 | 0 | 0 | 0 | 111.8 | G339 I343 I344 F345 | G339-H341 PolarHBondContact O-N 2.7Å; H341-I343 PolarHBondContact O-N 3.34Å; H341-I344 PolarHBondContact O-N 2.93Å; H341-F345 HydrophobicContact CB-CE2 4.45Å; H341-F345 WeakPolarHBondContact O-CD2 3.18Å; H341-F345 PolarHBondContact O-N 3.37Å |
| 342 | Y | 70.9 | Confident | 65.1 | Low | 37 Ų | 37 | 59.4 Ų | 59.4 | 15% | 0.145 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.7 | -37.5 | 176.4 | -165.5 | -95.1 | 0 | 0 | 0 | 112.4 | F217 I289 V290 V293 G339 I340 F345 N346 E361 | F217-Y342 HydrophobicContact CZ-CD2 4.26Å; F217-Y342 HydrophobicContact CZ-CG 4.44Å; I289-Y342 HydrophobicContact CG2-CE1 4.22Å; V290-Y342 HydrophobicContact CG2-CE1 4.48Å; V293-Y342 HydrophobicContact CB-CD1 4.47Å; V293-Y342 HydrophobicContact CG1-CD1 4.21Å; V293-Y342 HydrophobicContact CG2-CD1 4.02Å; G339-Y342 WeakPolarHBondContact O-CB 3.25Å; G339-Y342 PolarHBondContact O-N 3.14Å; I340-Y342 PolarHBondContact O-N 2.69Å; Y342-F345 PolarHBondContact O-N 2.89Å; Y342-N346 HydrophobicContact CE1-CB 4.47Å; Y342-N346 WeakPolarHBondContact O-CB 3.49Å; Y342-N346 PolarHBondContact O-N 2.73Å; Y342-E361 WeakPolarHBondContact CD2-OE1 3.36Å; Y342-E361 WeakPolarHBondContact CE2-OE1 3.38Å |
| 343 | I | 67.9 | Low | 64.7 | Low | 31 Ų | 31 | 55.9 Ų | 55.9 | 16% | 0.159 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.8 | -48.3 | 175.6 | -63.5 | -174.2 | 0 | 0 | 0 | 110.4 | V293 F297 I340 H341 F345 N346 F347 | V293-I343 HydrophobicContact CG1-CD1 3.78Å; V293-I343 HydrophobicContact CG1-CG1 3.24Å; F297-I343 HydrophobicContact CB-CD1 3.33Å; F297-I343 HydrophobicContact CD1-CD1 4.31Å; F297-I343 HydrophobicContact CD2-CD1 4.1Å; F297-I343 HydrophobicContact CG-CD1 3.68Å; I340-I343 WeakPolarHBondContact O-CB 3.45Å; I340-I343 PolarHBondContact O-N 3.48Å; H341-I343 PolarHBondContact O-N 3.34Å; I343-F345 PolarHBondContact O-N 3.2Å; I343-N346 PolarHBondContact O-N 2.05Å; I343-F347 HydrophobicContact CG2-CD2 3.64Å; I343-F347 HydrophobicContact CG2-CE2 3.85Å; I343-F347 WeakPolarHBondContact O-CD2 3.42Å; I343-F347 PolarHBondContact O-N 3.46Å; I343-F347 VanDerWaalsContact O-N 3.14Å |
| 344 | I | 68.6 | Low | 64.3 | Low | 99 Ų | 99 | 57.2 Ų | 57.2 | 51% | 0.508 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -57.1 | -44.5 | -176.6 | -62.4 | 172.6 | 0 | 0 | 0 | 109.5 | I340 H341 L348 | I340-I344 PolarHBondContact O-N 2.89Å; H341-I344 PolarHBondContact O-N 2.93Å; I344-L348 HydrophobicContact CG2-CD1 4.09Å; I344-L348 VanDerWaalsContact O-CD1 3.22Å; I344-L348 WeakPolarHBondContact O-CD1 3.32Å; I344-L348 WeakPolarHBondContact O-CG 3.35Å; I344-L348 PolarHBondContact O-N 3.15Å |
| 345 | F | 65.6 | Low | 64 | Low | 29 Ų | 29 | 57.8 Ų | 57.8 | 13% | 0.127 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -77 | -32.5 | 179.8 | -67.1 | -58.6 | 0 | 0 | 0 | 114.3 | H341 Y342 I343 F347 L348 R357 L360 | H341-F345 HydrophobicContact CB-CE2 4.45Å; H341-F345 WeakPolarHBondContact O-CD2 3.18Å; H341-F345 PolarHBondContact O-N 3.37Å; Y342-F345 PolarHBondContact O-N 2.89Å; I343-F345 PolarHBondContact O-N 3.2Å; F345-F347 PolarHBondContact O-N 3.37Å; F345-L348 HydrophobicContact CD1-CD1 3.97Å; F345-L348 HydrophobicContact CE1-CD1 4.43Å; F345-L348 PolarHBondContact O-N 2.64Å; F345-R357 HydrophobicContact CB-CG 3.95Å; F345-R357 HydrophobicContact CD1-CB 4.17Å; F345-R357 HydrophobicContact CD1-CG 3.82Å; F345-R357 HydrophobicContact CG-CG 4.01Å; F345-R357 PolarHBondContact O-NE 3.25Å; F345-R357 PolarHBondContact O-NH1 2.96Å; F345-R357 PolarHBondContact O-NH2 2.93Å; F345-L360 HydrophobicContact CE1-CD1 4.15Å; F345-L360 HydrophobicContact CE2-CB 4.15Å; F345-L360 HydrophobicContact CZ-CB 3.82Å; F345-L360 HydrophobicContact CZ-CD1 3.68Å; F345-L360 HydrophobicContact CZ-CG 4.42Å |
| 346 | N | 67.6 | Low | 64 | Low | 43 Ų | 43 | 60.7 Ų | 60.7 | 23% | 0.23 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -70.1 | -29.9 | 179.7 | -160.3 | -82.5 | 0 | 0 | 0 | 113.2 | Y342 I343 | Y342-N346 HydrophobicContact CE1-CB 4.47Å; Y342-N346 WeakPolarHBondContact O-CB 3.49Å; Y342-N346 PolarHBondContact O-N 2.73Å; I343-N346 PolarHBondContact O-N 2.05Å |
| 347 | F | 67.1 | Low | 64.4 | Low | 161 Ų | 161 | 61 Ų | 61 | 71% | 0.706 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -94.5 | -5 | 178.1 | -73.7 | -77.5 | 0 | 0 | 0 | 114.3 | I343 F345 | I343-F347 HydrophobicContact CG2-CD2 3.64Å; I343-F347 HydrophobicContact CG2-CE2 3.85Å; I343-F347 WeakPolarHBondContact O-CD2 3.42Å; I343-F347 PolarHBondContact O-N 3.46Å; I343-F347 VanDerWaalsContact O-N 3.14Å; F345-F347 PolarHBondContact O-N 3.37Å |
| 348 | L | 62.6 | Low | 64.5 | Low | 71 Ų | 71 | 63.7 Ų | 63.7 | 37% | 0.372 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -75.8 | 133 | 171.5 | -82 | 161.6 | 0 | 0 | 0 | 109.1 | I344 F345 D350 | I344-L348 HydrophobicContact CG2-CD1 4.09Å; I344-L348 VanDerWaalsContact O-CD1 3.22Å; I344-L348 WeakPolarHBondContact O-CD1 3.32Å; I344-L348 WeakPolarHBondContact O-CG 3.35Å; I344-L348 PolarHBondContact O-N 3.15Å; F345-L348 HydrophobicContact CD1-CD1 3.97Å; F345-L348 HydrophobicContact CE1-CD1 4.43Å; F345-L348 PolarHBondContact O-N 2.64Å; L348-D350 PolarHBondContact O-N 3.47Å |
| 349 | P | 56.9 | Low | 64.6 | Low | 79 Ų | 79 | 65.3 Ų | 65.3 | 51% | 0.513 | 36% | 0.364 | S | S | . | . | trans | -61.1 | 136.8 | 179.9 | 24.2 | -31.6 | 0 | 0 | 0 | 110.4 | N351 A352 | P349-N351 PolarHBondContact O-N 3.47Å; P349-A352 HydrophobicContact CG-CB 4.13Å; P349-A352 PolarHBondContact O-N 2.82Å | ||
| 350 | D | 59.4 | Low | 65 | Low | 112 Ų | 112 | 68.7 Ų | 68.7 | 60% | 0.599 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -24.7 | -173.4 | -63.4 | -44.4 | 0 | 0 | 0 | 113.2 | L348 A352 R357 | L348-D350 PolarHBondContact O-N 3.47Å; D350-A352 PolarHBondContact O-N 3.47Å; D350-R357 IonicContact OD1-NH1 3.15Å; D350-R357 PolarHBondContact OD1-NH1 3.17Å |
| 351 | N | 55.7 | Low | 65.3 | Low | 159 Ų | 159 | 70.4 Ų | 70.4 | 85% | 0.85 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -16.3 | 179.9 | -28.3 | 18.1 | 0 | 0 | 0 | 112.8 | P349 | P349-N351 PolarHBondContact O-N 3.47Š|
| 352 | A | 51.9 | Low | 65.5 | Low | 63 Ų | 63 | 72 Ų | 72 | 52% | 0.521 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | 83.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | P349 D350 | P349-A352 HydrophobicContact CG-CB 4.13Å; P349-A352 PolarHBondContact O-N 2.82Å; D350-A352 PolarHBondContact O-N 3.47Å |
| 353 | G | 57.8 | Low | 65.9 | Low | 35 Ų | 35 | 70.7 Ų | 70.7 | 36% | 0.361 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 99.7 | 30.4 | 162.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | G355 I356 R357 | G353-G355 PolarHBondContact O-N 2.02Å; G353-I356 PolarHBondContact O-N 3.15Å; G353-R357 WeakPolarHBondContact O-CB 3.46Å; G353-R357 PolarHBondContact O-N 3.14Å |
| 354 | L | 59.7 | Low | 66.5 | Low | 115 Ų | 115 | 73.4 Ų | 73.4 | 60% | 0.602 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -48.4 | -41 | 171.6 | -158.2 | 77.5 | 0 | 0 | 0 | 112 | I356 R357 L358 | L354-I356 VanDerWaalsContact C-N 3.29Å; L354-I356 PolarHBondContact O-N 3.23Å; L354-R357 PolarHBondContact O-N 3.45Å; L354-L358 PolarHBondContact O-N 2.62Å |
| 355 | G | 62.6 | Low | 67.2 | Low | 45 Ų | 45 | 69 Ų | 69 | 46% | 0.464 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -66.3 | -19 | 177.9 | 0 | 0 | 0 | 0 | 0 | 116 | Y125 G353 P359 | Y125-G355 WeakPolarHBondContact CE2-O 3.37Å; Y125-G355 WeakPolarHBondContact OH-CA 3.44Å; Y125-G355 PolarHBondContact OH-O 3.02Å; G353-G355 PolarHBondContact O-N 2.02Å; G355-P359 WeakPolarHBondContact O-CD 3.32Å; G355-P359 WeakPolarHBondContact O-CG 3.26Å |
| 356 | I | 66.8 | Low | 68.3 | Low | 116 Ų | 116 | 67.7 Ų | 67.7 | 60% | 0.595 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -105.1 | -32.2 | 177 | -60.6 | 170 | 0 | 0 | 0 | 110.3 | G353 L354 L360 | G353-I356 PolarHBondContact O-N 3.15Å; L354-I356 VanDerWaalsContact C-N 3.29Å; L354-I356 PolarHBondContact O-N 3.23Å; I356-L360 HydrophobicContact CG2-CD1 3.51Å; I356-L360 HydrophobicContact CG2-CG 4.07Å; I356-L360 WeakPolarHBondContact O-CB 3.48Å; I356-L360 VanDerWaalsContact O-CG 3.22Å; I356-L360 WeakPolarHBondContact O-CG 3.46Å; I356-L360 PolarHBondContact O-N 3.16Å; I356-L360 VanDerWaalsContact O-N 3.15Å |
| 357 | R | 68.6 | Low | 69.3 | Low | 46 Ų | 46 | 68.7 Ų | 68.7 | 17% | 0.174 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60.2 | -49.3 | -179.9 | 176.7 | 173.8 | 174 | -174.8 | 0.3 | 111.8 | F345 D350 G353 L354 L360 E361 | F345-R357 HydrophobicContact CB-CG 3.95Å; F345-R357 HydrophobicContact CD1-CB 4.17Å; F345-R357 HydrophobicContact CD1-CG 3.82Å; F345-R357 HydrophobicContact CG-CG 4.01Å; F345-R357 PolarHBondContact O-NE 3.25Å; F345-R357 PolarHBondContact O-NH1 2.96Å; F345-R357 PolarHBondContact O-NH2 2.93Å; D350-R357 IonicContact OD1-NH1 3.15Å; D350-R357 PolarHBondContact OD1-NH1 3.17Å; G353-R357 WeakPolarHBondContact O-CB 3.46Å; G353-R357 PolarHBondContact O-N 3.14Å; L354-R357 PolarHBondContact O-N 3.45Å; R357-L360 PolarHBondContact O-N 2.97Å; R357-E361 IonicContact NE-OE2 2.69Å; R357-E361 WeakPolarHBondContact O-CB 3.36Å; R357-E361 PolarHBondContact O-N 2.82Å |
| 358 | L | 68.5 | Low | 70.4 | Confident | 59 Ų | 59 | 61.3 Ų | 61.3 | 31% | 0.309 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.6 | -50.1 | -175.1 | -174.4 | 79.3 | 0 | 0 | 0 | 112.3 | Y125 F126 L354 L360 E361 L362 | Y125-L358 HydrophobicContact CE1-CD2 4.09Å; F126-L358 HydrophobicContact CD1-CD2 4.4Å; F126-L358 HydrophobicContact CE1-CD2 3.9Å; L354-L358 PolarHBondContact O-N 2.62Å; L358-L360 VanDerWaalsContact C-N 3.32Å; L358-L360 PolarHBondContact O-N 3.31Å; L358-E361 PolarHBondContact O-N 3.08Å; L358-L362 HydrophobicContact CD1-CD1 3.25Å; L358-L362 HydrophobicContact CG-CD1 3.66Å; L358-L362 WeakPolarHBondContact O-CD1 3.13Å; L358-L362 PolarHBondContact O-N 2.87Å |
| 359 | P | 70.8 | Confident | 71.8 | Confident | 36 Ų | 36 | 58 Ų | 58 | 23% | 0.234 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.6 | -37.6 | 174.8 | -20.4 | 25 | 0 | 0 | 0 | 113.1 | Y125 V129 G355 G363 | Y125-P359 HydrophobicContact CE2-CG 3.93Å; Y125-P359 WeakPolarHBondContact OH-CD 3.39Å; V129-P359 HydrophobicContact CG2-CB 4.19Å; V129-P359 HydrophobicContact CG2-CG 3.83Å; G355-P359 WeakPolarHBondContact O-CD 3.32Å; G355-P359 WeakPolarHBondContact O-CG 3.26Å; P359-G363 WeakPolarHBondContact O-CA 3.31Å; P359-G363 PolarHBondContact O-N 2.89Å |
| 360 | L | 73.3 | Confident | 73.5 | Confident | 70 Ų | 70 | 57.5 Ų | 57.5 | 37% | 0.366 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -70.6 | -42.3 | 178.2 | -73.8 | 178.9 | 0 | 0 | 0 | 111.7 | F345 I356 R357 L358 L364 | F345-L360 HydrophobicContact CE1-CD1 4.15Å; F345-L360 HydrophobicContact CE2-CB 4.15Å; F345-L360 HydrophobicContact CZ-CB 3.82Å; F345-L360 HydrophobicContact CZ-CD1 3.68Å; F345-L360 HydrophobicContact CZ-CG 4.42Å; I356-L360 HydrophobicContact CG2-CD1 3.51Å; I356-L360 HydrophobicContact CG2-CG 4.07Å; I356-L360 WeakPolarHBondContact O-CB 3.48Å; I356-L360 VanDerWaalsContact O-CG 3.22Å; I356-L360 WeakPolarHBondContact O-CG 3.46Å; I356-L360 PolarHBondContact O-N 3.16Å; I356-L360 VanDerWaalsContact O-N 3.15Å; R357-L360 PolarHBondContact O-N 2.97Å; L358-L360 VanDerWaalsContact C-N 3.32Å; L358-L360 PolarHBondContact O-N 3.31Å; L360-L364 HydrophobicContact CD2-CD1 4.49Å; L360-L364 WeakPolarHBondContact O-CB 3.48Å; L360-L364 WeakPolarHBondContact O-CG 3.48Å; L360-L364 PolarHBondContact O-N 3.02Å |
| 361 | E | 75 | Confident | 74.9 | Confident | 48 Ų | 48 | 54.5 Ų | 54.5 | 22% | 0.224 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -69.2 | -51.2 | -178.7 | -172 | 175.9 | 155.8 | 0 | 0 | 111.4 | Y342 R357 L358 G365 | Y342-E361 WeakPolarHBondContact CD2-OE1 3.36Å; Y342-E361 WeakPolarHBondContact CE2-OE1 3.38Å; R357-E361 IonicContact NE-OE2 2.69Å; R357-E361 WeakPolarHBondContact O-CB 3.36Å; R357-E361 PolarHBondContact O-N 2.82Å; L358-E361 PolarHBondContact O-N 3.08Å; E361-G365 WeakPolarHBondContact O-CA 3.47Å; E361-G365 PolarHBondContact O-N 3.5Å |
| 362 | L | 78.1 | Confident | 76.6 | Confident | 59 Ų | 59 | 46.9 Ų | 46.9 | 31% | 0.309 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -70.2 | -42.3 | 177.2 | -78.3 | 93.3 | 0 | 0 | 0 | 111.5 | V129 Y133 L358 S366 | V129-L362 HydrophobicContact CG1-CD2 4.49Å; Y133-L362 HydrophobicContact CD1-CB 4.47Å; Y133-L362 HydrophobicContact CD1-CD2 3.68Å; Y133-L362 HydrophobicContact CE1-CD2 4.04Å; Y133-L362 HydrophobicContact CG-CD2 4.34Å; L358-L362 HydrophobicContact CD1-CD1 3.25Å; L358-L362 HydrophobicContact CG-CD1 3.66Å; L358-L362 WeakPolarHBondContact O-CD1 3.13Å; L358-L362 PolarHBondContact O-N 2.87Å; L362-S366 VanDerWaalsContact O-CB 3.22Å; L362-S366 WeakPolarHBondContact O-CB 3.44Å; L362-S366 PolarHBondContact O-N 2.85Å; L362-S366 PolarHBondContact O-OG 3.32Å |
| 363 | G | 80 | Confident | 78.5 | Confident | 8 Ų | 8 | 43.9 Ų | 43.9 | 8% | 0.082 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.4 | -61.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | P359 G365 S366 F367 | P359-G363 WeakPolarHBondContact O-CA 3.31Å; P359-G363 PolarHBondContact O-N 2.89Å; G363-G365 VanDerWaalsContact C-N 3.28Å; G363-G365 PolarHBondContact O-N 3.43Å; G363-S366 PolarHBondContact O-N 3.36Å; G363-S366 VanDerWaalsContact O-N 3.12Å; G363-S366 PolarHBondContact O-OG 3.23Å; G363-F367 WeakPolarHBondContact O-CD2 3.25Å; G363-F367 PolarHBondContact O-N 2.58Å |
| 364 | L | 79.4 | Confident | 80.1 | Confident | 88 Ų | 88 | 44.6 Ų | 44.6 | 46% | 0.461 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.1 | -37 | 179.8 | -63.9 | 172.3 | 0 | 0 | 0 | 112 | L360 S366 F367 Q368 | L360-L364 HydrophobicContact CD2-CD1 4.49Å; L360-L364 WeakPolarHBondContact O-CB 3.48Å; L360-L364 WeakPolarHBondContact O-CG 3.48Å; L360-L364 PolarHBondContact O-N 3.02Å; L364-S366 VanDerWaalsContact C-N 3.33Å; L364-S366 PolarHBondContact O-N 3.44Å; L364-F367 PolarHBondContact O-N 2.89Å; L364-Q368 PolarHBondContact O-N 3.44Å |
| 365 | G | 83.5 | Confident | 81.4 | Confident | 7 Ų | 7 | 41 Ų | 41 | 7% | 0.072 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.4 | -37.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | E361 G363 Q368 | E361-G365 WeakPolarHBondContact O-CA 3.47Å; E361-G365 PolarHBondContact O-N 3.5Å; G363-G365 VanDerWaalsContact C-N 3.28Å; G363-G365 PolarHBondContact O-N 3.43Å; G365-Q368 WeakPolarHBondContact O-CB 3.38Å; G365-Q368 PolarHBondContact O-N 3.39Å |
| 366 | S | 88.2 | Confident | 82.6 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.007 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -69.6 | -35.9 | 179.4 | 73.1 | 0 | 0 | 0 | 0 | 113 | Y133 G136 S140 L362 G363 L364 | Y133-S366 WeakPolarHBondContact O-CB 3.47Å; G136-S366 CarbonylContact C-O 3.43Å; S140-S366 PolarHBondContact OG-O 3.23Å; L362-S366 VanDerWaalsContact O-CB 3.22Å; L362-S366 WeakPolarHBondContact O-CB 3.44Å; L362-S366 PolarHBondContact O-N 2.85Å; L362-S366 PolarHBondContact O-OG 3.32Å; G363-S366 PolarHBondContact O-N 3.36Å; G363-S366 VanDerWaalsContact O-N 3.12Å; G363-S366 PolarHBondContact O-OG 3.23Å; L364-S366 VanDerWaalsContact C-N 3.33Å; L364-S366 PolarHBondContact O-N 3.44Å |
| 367 | F | 90 | Very high | 83.8 | Confident | 65 Ų | 65 | 35.1 Ų | 35.1 | 29% | 0.285 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -84.9 | -9.3 | 176 | -69.6 | -76 | 0 | 0 | 0 | 113.8 | I139 G363 L364 G369 F370 I371 | I139-F367 HydrophobicContact CD1-CE1 4.2Å; G363-F367 WeakPolarHBondContact O-CD2 3.25Å; G363-F367 PolarHBondContact O-N 2.58Å; L364-F367 PolarHBondContact O-N 2.89Å; F367-G369 VanDerWaalsContact C-N 3.29Å; F367-G369 PolarHBondContact O-N 3.24Å; F367-F370 WeakPolarHBondContact O-CB 3.38Å; F367-F370 PolarHBondContact O-N 2.94Å; F367-F370 VanDerWaalsContact O-N 3.17Å; F367-I371 WeakPolarHBondContact O-CG1 3.36Å; F367-I371 PolarHBondContact O-N 3.36Å |
| 368 | Q | 90.1 | Very high | 84.9 | Confident | 5 Ų | 5 | 36.1 Ų | 36.1 | 2% | 0.023 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -54.9 | -46.8 | -178.5 | -171.6 | -178.7 | -10.4 | 0 | 0 | 111 | F172 P336 L337 L364 G365 F370 I371 V372 | F172-Q368 HydrophobicContact CE1-CB 4.14Å; F172-Q368 HydrophobicContact CE1-CG 3.91Å; F172-Q368 HydrophobicContact CZ-CG 3.9Å; P336-Q368 PolarHBondContact O-NE2 3.23Å; L337-Q368 PolarHBondContact O-NE2 3.04Å; L364-Q368 PolarHBondContact O-N 3.44Å; G365-Q368 WeakPolarHBondContact O-CB 3.38Å; G365-Q368 PolarHBondContact O-N 3.39Å; Q368-F370 PolarHBondContact O-N 3.48Å; Q368-I371 PolarHBondContact O-N 3.48Å; Q368-V372 HydrophobicContact CG-CG2 4.35Å; Q368-V372 WeakPolarHBondContact O-CG2 3.47Å; Q368-V372 PolarHBondContact O-N 3.41Å |
| 369 | G | 91.5 | Very high | 85.8 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.1 | -43.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | F367 V372 A373 | F367-G369 VanDerWaalsContact C-N 3.29Å; F367-G369 PolarHBondContact O-N 3.24Å; G369-V372 WeakPolarHBondContact O-CB 3.25Å; G369-V372 PolarHBondContact O-N 3.08Å; G369-A373 PolarHBondContact O-N 2.95Å |
| 370 | F | 92.4 | Very high | 86.7 | Confident | 70 Ų | 70 | 37.4 Ų | 37.4 | 31% | 0.307 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -60.7 | -46.5 | 174.4 | 175.6 | -111.9 | 0 | 0 | 0 | 112.3 | I139 S140 A143 F367 Q368 V372 A373 I374 | I139-F370 HydrophobicContact CG2-CB 4.41Å; I139-F370 HydrophobicContact CG2-CD2 3.6Å; I139-F370 HydrophobicContact CG2-CE2 3.88Å; I139-F370 HydrophobicContact CG2-CG 3.96Å; I139-F370 HydrophobicContact CG2-CZ 4.43Å; S140-F370 WeakPolarHBondContact OG-CB 3.44Å; S140-F370 PolarHBondContact OG-N 2.99Å; A143-F370 HydrophobicContact CB-CD2 3.67Å; A143-F370 HydrophobicContact CB-CE2 4.27Å; F367-F370 WeakPolarHBondContact O-CB 3.38Å; F367-F370 PolarHBondContact O-N 2.94Å; F367-F370 VanDerWaalsContact O-N 3.17Å; Q368-F370 PolarHBondContact O-N 3.48Å; F370-V372 VanDerWaalsContact C-N 3.31Å; F370-V372 PolarHBondContact O-N 2.84Å; F370-A373 PolarHBondContact O-N 2.6Å; F370-I374 HydrophobicContact CD1-CD1 3.94Å; F370-I374 HydrophobicContact CD2-CD1 4.35Å; F370-I374 HydrophobicContact CE1-CD1 3.39Å; F370-I374 HydrophobicContact CE2-CD1 3.86Å; F370-I374 HydrophobicContact CE2-CG1 4.34Å; F370-I374 HydrophobicContact CG-CD1 4.4Å; F370-I374 HydrophobicContact CZ-CD1 3.37Å; F370-I374 HydrophobicContact CZ-CG1 4.31Å; F370-I374 WeakPolarHBondContact O-CG1 3.44Å; F370-I374 PolarHBondContact O-N 2.93Å |
| 371 | I | 89.8 | Confident | 87.3 | Confident | 48 Ų | 48 | 40.1 Ų | 40.1 | 25% | 0.246 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.1 | -44.4 | 176.8 | -64.9 | 169.7 | 0 | 0 | 0 | 110.2 | F367 Q368 A373 I374 L375 | F367-I371 WeakPolarHBondContact O-CG1 3.36Å; F367-I371 PolarHBondContact O-N 3.36Å; Q368-I371 PolarHBondContact O-N 3.48Å; I371-A373 PolarHBondContact O-N 2.78Å; I371-I374 PolarHBondContact O-N 2.83Å; I371-L375 HydrophobicContact CG2-CD1 3.75Å; I371-L375 HydrophobicContact CG2-CG 4.38Å; I371-L375 VanDerWaalsContact O-CG 3.31Å; I371-L375 WeakPolarHBondContact O-CG 3.3Å; I371-L375 PolarHBondContact O-N 2.98Å |
| 372 | V | 90.2 | Very high | 88 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.7 | -47.3 | 177.1 | -174.5 | 0 | 0 | 0 | 0 | 111.1 | L168 F169 F172 L337 Q368 G369 F370 I374 L375 Y376 | L168-V372 HydrophobicContact CD2-CG1 4.24Å; F169-V372 HydrophobicContact CD1-CG1 4Å; F169-V372 HydrophobicContact CE1-CG1 3.47Å; F169-V372 VanDerWaalsContact CE1-CG1 3.47Å; F169-V372 HydrophobicContact CZ-CG1 4.46Å; F172-V372 HydrophobicContact CE2-CB 4.43Å; F172-V372 HydrophobicContact CE2-CG1 4.48Å; F172-V372 HydrophobicContact CE2-CG2 3.72Å; F172-V372 HydrophobicContact CZ-CG2 3.94Å; L337-V372 HydrophobicContact CD1-CB 4.03Å; L337-V372 HydrophobicContact CD1-CG1 3.8Å; L337-V372 HydrophobicContact CD1-CG2 3.23Å; Q368-V372 HydrophobicContact CG-CG2 4.35Å; Q368-V372 WeakPolarHBondContact O-CG2 3.47Å; Q368-V372 PolarHBondContact O-N 3.41Å; G369-V372 WeakPolarHBondContact O-CB 3.25Å; G369-V372 PolarHBondContact O-N 3.08Å; F370-V372 VanDerWaalsContact C-N 3.31Å; F370-V372 PolarHBondContact O-N 2.84Å; V372-I374 VanDerWaalsContact C-N 3.33Å; V372-I374 PolarHBondContact O-N 2.93Å; V372-L375 PolarHBondContact O-N 2.93Å; V372-Y376 HydrophobicContact CG1-CD2 3.51Å; V372-Y376 HydrophobicContact CG1-CE2 3.99Å; V372-Y376 PolarHBondContact O-N 2.64Å |
| 373 | A | 92.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.9 | -41.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112 | A143 L144 A147 G369 F370 I371 C377 F378 | A143-A373 HydrophobicContact CB-CB 4.21Å; L144-A373 HydrophobicContact CD2-CB 4Å; L144-A373 HydrophobicContact CG-CB 4.43Å; A147-A373 HydrophobicContact CB-CB 4.23Å; G369-A373 PolarHBondContact O-N 2.95Å; F370-A373 PolarHBondContact O-N 2.6Å; I371-A373 PolarHBondContact O-N 2.78Å; A373-C377 WeakPolarHBondContact O-CA 3.48Å; A373-C377 VanDerWaalsContact O-CB 3.23Å; A373-C377 WeakPolarHBondContact O-CB 3.39Å; A373-C377 PolarHBondContact O-N 3.38Å; A373-F378 HydrophobicContact CB-CE2 4.23Å; A373-F378 PolarHBondContact O-N 3.39Å; A373-F378 VanDerWaalsContact O-N 3.13Å |
| 374 | I | 91.1 | Very high | 89 | Confident | 49 Ų | 49 | 43 Ų | 43 | 25% | 0.251 | 20% | 0.203 | S | C | . | . | I | π-helix | trans | -60.1 | -50.5 | 175 | -73.6 | 175.4 | 0 | 0 | 0 | 110.9 | F370 I371 V372 F378 L379 | F370-I374 HydrophobicContact CD1-CD1 3.94Å; F370-I374 HydrophobicContact CD2-CD1 4.35Å; F370-I374 HydrophobicContact CE1-CD1 3.39Å; F370-I374 HydrophobicContact CE2-CD1 3.86Å; F370-I374 HydrophobicContact CE2-CG1 4.34Å; F370-I374 HydrophobicContact CG-CD1 4.4Å; F370-I374 HydrophobicContact CZ-CD1 3.37Å; F370-I374 HydrophobicContact CZ-CG1 4.31Å; F370-I374 WeakPolarHBondContact O-CG1 3.44Å; F370-I374 PolarHBondContact O-N 2.93Å; I371-I374 PolarHBondContact O-N 2.83Å; V372-I374 VanDerWaalsContact C-N 3.33Å; V372-I374 PolarHBondContact O-N 2.93Å; I374-F378 HydrophobicContact CG1-CD2 4.08Å; I374-F378 PolarHBondContact O-N 2.92Å; I374-L379 HydrophobicContact CG2-CD1 3.53Å; I374-L379 HydrophobicContact CG2-CG 3.65Å; I374-L379 VanDerWaalsContact O-CB 3.31Å; I374-L379 WeakPolarHBondContact O-CB 3.02Å; I374-L379 WeakPolarHBondContact O-CG 3.31Å; I374-L379 PolarHBondContact O-N 3.28Å |
| 375 | L | 87.9 | Confident | 89.5 | Confident | 41 Ų | 41 | 42.7 Ų | 42.7 | 22% | 0.215 | 21% | 0.205 | C | C | . | . | I | π-helix | trans | -70.8 | -47.3 | -172.8 | -65.8 | 168.9 | 0 | 0 | 0 | 112.7 | F333 I371 V372 L379 | F333-L375 HydrophobicContact CB-CD1 3.77Å; F333-L375 HydrophobicContact CB-CD2 3.98Å; F333-L375 HydrophobicContact CD2-CD2 4.39Å; F333-L375 HydrophobicContact CG-CD2 4.17Å; I371-L375 HydrophobicContact CG2-CD1 3.75Å; I371-L375 HydrophobicContact CG2-CG 4.38Å; I371-L375 VanDerWaalsContact O-CG 3.31Å; I371-L375 WeakPolarHBondContact O-CG 3.3Å; I371-L375 PolarHBondContact O-N 2.98Å; V372-L375 PolarHBondContact O-N 2.93Å; L375-L379 HydrophobicContact CD2-CD1 4.48Å |
| 376 | Y | 87.2 | Confident | 89.8 | Confident | 37 Ų | 37 | 43.8 Ų | 43.8 | 15% | 0.145 | 21% | 0.208 | C | C | . | . | I | π-helix | trans | -89.9 | -21.7 | -172 | -70 | -44.2 | 0 | 0 | 0 | 114.5 | H165 F169 E223 L337 V372 N380 | H165-Y376 AromaticContact CE1-CD1 3.77Å; H165-Y376 AromaticContact CE1-CD2 3.95Å; H165-Y376 AromaticContact CE1-CE1 3.74Å; H165-Y376 AromaticContact CE1-CE2 3.9Å; H165-Y376 AromaticContact CE1-CG 3.88Å; H165-Y376 AromaticContact CE1-CZ 3.77Å; H165-Y376 AromaticContact ND1-CD2 3.8Å; H165-Y376 AromaticContact ND1-CE2 3.94Å; H165-Y376 AromaticContact ND1-CG 4Å; F169-Y376 HydrophobicContact CE1-CD2 4.35Å; E223-Y376 WeakPolarHBondContact OE1-CE2 2.99Å; E223-Y376 PolarHBondContact OE1-OH 2.88Å; L337-Y376 HydrophobicContact CD1-CE2 3.91Å; L337-Y376 HydrophobicContact CD2-CE2 3.61Å; L337-Y376 WeakPolarHBondContact CD2-OH 3.06Å; L337-Y376 HydrophobicContact CG-CE2 4.41Å; V372-Y376 HydrophobicContact CG1-CD2 3.51Å; V372-Y376 HydrophobicContact CG1-CE2 3.99Å; V372-Y376 PolarHBondContact O-N 2.64Å; Y376-N380 WeakPolarHBondContact O-CB 3.28Å; Y376-N380 PolarHBondContact O-ND2 3.33Å |
| 377 | C | 91.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 22% | 0.224 | C | C | . | . | I | π-helix | trans | -111.3 | -67.3 | 177.3 | -166.7 | 0 | 0 | 0 | 0 | 112 | A147 A373 L379 N380 V383 | A147-C377 HydrophobicContact CB-CB 3.71Å; A373-C377 WeakPolarHBondContact O-CA 3.48Å; A373-C377 VanDerWaalsContact O-CB 3.23Å; A373-C377 WeakPolarHBondContact O-CB 3.39Å; A373-C377 PolarHBondContact O-N 3.38Å; C377-L379 PolarHBondContact O-N 2.85Å; C377-N380 WeakPolarHBondContact O-CB 3.04Å; C377-N380 PolarHBondContact O-N 2.69Å; C377-V383 WeakPolarHBondContact O-CB 3.49Å |
| 378 | F | 91.8 | Very high | 89.8 | Confident | 67 Ų | 67 | 46.5 Ų | 46.5 | 29% | 0.294 | 23% | 0.229 | S | C | . | . | I | π-helix | trans | -73.1 | -32.1 | -165.7 | -56.8 | -44.7 | 0 | 0 | 0 | 115.2 | A143 V146 A147 I150 A373 I374 R384 | A143-F378 HydrophobicContact CB-CE2 4.27Å; V146-F378 HydrophobicContact CB-CZ 4.3Å; V146-F378 HydrophobicContact CG1-CE1 3.98Å; V146-F378 HydrophobicContact CG1-CZ 4.04Å; A147-F378 HydrophobicContact CB-CZ 4.4Å; I150-F378 HydrophobicContact CD1-CD1 4.38Å; I150-F378 HydrophobicContact CD1-CE1 3.88Å; A373-F378 HydrophobicContact CB-CE2 4.23Å; A373-F378 PolarHBondContact O-N 3.39Å; A373-F378 VanDerWaalsContact O-N 3.13Å; I374-F378 HydrophobicContact CG1-CD2 4.08Å; I374-F378 PolarHBondContact O-N 2.92Å; F378-R384 PolarHBondContact O-NE 3.2Å; F378-R384 PolarHBondContact O-NH2 3.42Å |
| 379 | L | 88.8 | Confident | 89.7 | Confident | 85 Ų | 85 | 52.5 Ų | 52.5 | 45% | 0.445 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -5.9 | 175.5 | -62.6 | -173.3 | 0 | 0 | 0 | 112.9 | I374 L375 C377 Q381 R384 | I374-L379 HydrophobicContact CG2-CD1 3.53Å; I374-L379 HydrophobicContact CG2-CG 3.65Å; I374-L379 VanDerWaalsContact O-CB 3.31Å; I374-L379 WeakPolarHBondContact O-CB 3.02Å; I374-L379 WeakPolarHBondContact O-CG 3.31Å; I374-L379 PolarHBondContact O-N 3.28Å; L375-L379 HydrophobicContact CD2-CD1 4.48Å; C377-L379 PolarHBondContact O-N 2.85Å; L379-Q381 PolarHBondContact O-N 2.87Å; L379-R384 VanDerWaalsContact CD2-NH2 3.26Å |
| 380 | N | 88 | Confident | 89.4 | Confident | 36 Ų | 36 | 58.9 Ų | 58.9 | 19% | 0.193 | 28% | 0.279 | C | S | . | . | trans | -70.1 | 122.1 | -179.4 | -172.4 | -19.8 | 0 | 0 | 0 | 110.2 | Y376 C377 E382 V383 R384 | Y376-N380 WeakPolarHBondContact O-CB 3.28Å; Y376-N380 PolarHBondContact O-ND2 3.33Å; C377-N380 WeakPolarHBondContact O-CB 3.04Å; C377-N380 PolarHBondContact O-N 2.69Å; N380-E382 VanDerWaalsContact C-N 3.3Å; N380-E382 PolarHBondContact O-N 2.85Å; N380-E382 PolarHBondContact OD1-N 3.2Å; N380-E382 VanDerWaalsContact OD1-N 3.07Å; N380-V383 HydrophobicContact CB-CB 4.2Å; N380-V383 HydrophobicContact CB-CG2 3.8Å; N380-V383 PolarHBondContact O-N 2.87Å; N380-R384 WeakPolarHBondContact O-CG 3.46Å; N380-R384 PolarHBondContact O-N 2.75Å | ||
| 381 | Q | 86.7 | Confident | 89.1 | Confident | 128 Ų | 128 | 63.9 Ų | 63.9 | 60% | 0.598 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -62.8 | -36.9 | -177.2 | -65.8 | -63.6 | -20.9 | 0 | 0 | 111.9 | L379 V383 R384 T385 | L379-Q381 PolarHBondContact O-N 2.87Å; Q381-V383 VanDerWaalsContact C-N 3.34Å; Q381-V383 PolarHBondContact O-N 2.82Å; Q381-R384 PolarHBondContact O-N 2.97Å; Q381-T385 WeakPolarHBondContact O-CB 3.49Å; Q381-T385 VanDerWaalsContact O-CG2 3.26Å; Q381-T385 WeakPolarHBondContact O-CG2 2.98Å; Q381-T385 PolarHBondContact O-N 2.92Å; Q381-T385 PolarHBondContact O-OG1 3.48Å; Q381-T385 VanDerWaalsContact O-OG1 3.11Å |
| 382 | E | 88.8 | Confident | 88.7 | Confident | 52 Ų | 52 | 67 Ų | 67 | 24% | 0.243 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.4 | -47 | 176.7 | -64.8 | 177.7 | -178.3 | 0 | 0 | 110.2 | L157 N380 R384 T385 E386 | L157-E382 HydrophobicContact CD2-CB 4.49Å; N380-E382 VanDerWaalsContact C-N 3.3Å; N380-E382 PolarHBondContact O-N 2.85Å; N380-E382 PolarHBondContact OD1-N 3.2Å; N380-E382 VanDerWaalsContact OD1-N 3.07Å; E382-R384 PolarHBondContact O-N 3.44Å; E382-T385 PolarHBondContact O-N 3.22Å; E382-T385 PolarHBondContact O-OG1 3.08Å; E382-E386 WeakPolarHBondContact O-CB 3.44Å; E382-E386 VanDerWaalsContact O-CG 3.25Å; E382-E386 WeakPolarHBondContact O-CG 3.43Å; E382-E386 PolarHBondContact O-N 3.36Å |
| 383 | V | 89.5 | Confident | 87.7 | Confident | 1 Ų | 1 | 70.1 Ų | 70.1 | 1% | 0.006 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.4 | -46.7 | 177.9 | -177.9 | 0 | 0 | 0 | 0 | 111 | I150 L151 L157 C377 N380 Q381 T385 E386 I387 | I150-V383 HydrophobicContact CG2-CG1 3.75Å; L151-V383 HydrophobicContact CD2-CG2 4.31Å; L157-V383 HydrophobicContact CD1-CB 4.48Å; L157-V383 HydrophobicContact CD1-CG1 4.42Å; L157-V383 HydrophobicContact CD1-CG2 3.96Å; C377-V383 WeakPolarHBondContact O-CB 3.49Å; N380-V383 HydrophobicContact CB-CB 4.2Å; N380-V383 HydrophobicContact CB-CG2 3.8Å; N380-V383 PolarHBondContact O-N 2.87Å; Q381-V383 VanDerWaalsContact C-N 3.34Å; Q381-V383 PolarHBondContact O-N 2.82Å; V383-T385 PolarHBondContact O-N 2.9Å; V383-E386 PolarHBondContact O-N 2.04Å; V383-I387 HydrophobicContact CG1-CD1 3.73Å; V383-I387 HydrophobicContact CG1-CG1 4.31Å; V383-I387 WeakPolarHBondContact O-CB 3.46Å; V383-I387 VanDerWaalsContact O-CG1 3.28Å; V383-I387 WeakPolarHBondContact O-CG1 3.13Å; V383-I387 PolarHBondContact O-N 2.82Å |
| 384 | R | 90.6 | Very high | 86.3 | Confident | 123 Ų | 123 | 77.8 Ų | 77.8 | 46% | 0.464 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60.9 | -43.6 | 177.8 | -72.7 | -178.7 | 173.5 | -154.5 | -6.2 | 112.4 | F378 L379 N380 Q381 E382 E386 I387 S388 | F378-R384 PolarHBondContact O-NE 3.2Å; F378-R384 PolarHBondContact O-NH2 3.42Å; L379-R384 VanDerWaalsContact CD2-NH2 3.26Å; N380-R384 WeakPolarHBondContact O-CG 3.46Å; N380-R384 PolarHBondContact O-N 2.75Å; Q381-R384 PolarHBondContact O-N 2.97Å; E382-R384 PolarHBondContact O-N 3.44Å; R384-E386 VanDerWaalsContact C-N 3.34Å; R384-E386 PolarHBondContact O-N 3.45Å; R384-I387 PolarHBondContact O-N 2.95Å; R384-S388 VanDerWaalsContact O-CB 3.25Å; R384-S388 WeakPolarHBondContact O-CB 3.42Å; R384-S388 PolarHBondContact O-N 3.37Å |
| 385 | T | 89.9 | Confident | 84.4 | Confident | 80 Ų | 80 | 78.6 Ų | 78.6 | 49% | 0.491 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65 | -38.8 | 177.9 | 57.5 | 0 | 0 | 0 | 0 | 112 | Q381 E382 V383 S388 R389 | Q381-T385 WeakPolarHBondContact O-CB 3.49Å; Q381-T385 VanDerWaalsContact O-CG2 3.26Å; Q381-T385 WeakPolarHBondContact O-CG2 2.98Å; Q381-T385 PolarHBondContact O-N 2.92Å; Q381-T385 PolarHBondContact O-OG1 3.48Å; Q381-T385 VanDerWaalsContact O-OG1 3.11Å; E382-T385 PolarHBondContact O-N 3.22Å; E382-T385 PolarHBondContact O-OG1 3.08Å; V383-T385 PolarHBondContact O-N 2.9Å; T385-S388 PolarHBondContact O-N 2.97Å; T385-R389 VanDerWaalsContact O-CB 3.31Å; T385-R389 WeakPolarHBondContact O-CB 2.96Å; T385-R389 PolarHBondContact O-N 2.97Å |
| 386 | E | 90 | Very high | 82.7 | Confident | 30 Ų | 30 | 82 Ų | 82 | 14% | 0.14 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -71.5 | -40.5 | 178.6 | -72.1 | -71.3 | 135.5 | 0 | 0 | 112.2 | L154 R156 L157 E382 V383 R384 R389 K390 | L154-E386 HydrophobicContact CD1-CB 4.27Å; R156-E386 VanDerWaalsContact CB-OE2 3.3Å; R156-E386 WeakPolarHBondContact CB-OE2 3.32Å; L157-E386 HydrophobicContact CD2-CG 4.08Å; E382-E386 WeakPolarHBondContact O-CB 3.44Å; E382-E386 VanDerWaalsContact O-CG 3.25Å; E382-E386 WeakPolarHBondContact O-CG 3.43Å; E382-E386 PolarHBondContact O-N 3.36Å; V383-E386 PolarHBondContact O-N 2.04Å; R384-E386 VanDerWaalsContact C-N 3.34Å; R384-E386 PolarHBondContact O-N 3.45Å; E386-R389 PolarHBondContact O-N 2.03Å; E386-R389 IonicContact OE1-CZ 3.19Å; E386-R389 IonicContact OE1-NH1 2.57Å; E386-R389 PolarHBondContact OE1-NH1 3.15Å; E386-R389 IonicContact OE1-NH2 2.81Å; E386-R389 PolarHBondContact OE1-NH2 2.78Å; E386-R389 IonicContact OE2-CZ 3.21Å; E386-R389 IonicContact OE2-NH1 3.99Å; E386-R389 PolarHBondContact OE2-NH1 2.85Å; E386-R389 IonicContact OE2-NH2 3.37Å; E386-R389 PolarHBondContact OE2-NH2 2.94Å; E386-K390 WeakPolarHBondContact O-CB 3.4Å; E386-K390 PolarHBondContact O-N 3.21Å |
| 387 | I | 88.7 | Confident | 81 | Confident | 68 Ų | 68 | 89.3 Ų | 89.3 | 35% | 0.349 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -61.4 | -49.3 | 171.5 | -69.8 | 171.3 | 0 | 0 | 0 | 109.7 | I150 L154 V383 R384 R389 K390 W391 | I150-I387 HydrophobicContact CG2-CD1 4.2Å; L154-I387 HydrophobicContact CD1-CG1 4.16Å; V383-I387 HydrophobicContact CG1-CD1 3.73Å; V383-I387 HydrophobicContact CG1-CG1 4.31Å; V383-I387 WeakPolarHBondContact O-CB 3.46Å; V383-I387 VanDerWaalsContact O-CG1 3.28Å; V383-I387 WeakPolarHBondContact O-CG1 3.13Å; V383-I387 PolarHBondContact O-N 2.82Å; R384-I387 PolarHBondContact O-N 2.95Å; I387-R389 VanDerWaalsContact C-N 3.29Å; I387-R389 PolarHBondContact O-N 2.91Å; I387-K390 PolarHBondContact O-N 3.47Å; I387-K390 VanDerWaalsContact O-N 3.15Å; I387-W391 WeakPolarHBondContact O-CB 3.35Å; I387-W391 PolarHBondContact O-N 3.43Å |
| 388 | S | 88.7 | Confident | 78.9 | Confident | 56 Ų | 56 | 95.3 Ų | 95.3 | 39% | 0.392 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -57.8 | -43.5 | 177.2 | -172.8 | 0 | 0 | 0 | 0 | 111.1 | R384 T385 K390 W391 H392 | R384-S388 VanDerWaalsContact O-CB 3.25Å; R384-S388 WeakPolarHBondContact O-CB 3.42Å; R384-S388 PolarHBondContact O-N 3.37Å; T385-S388 PolarHBondContact O-N 2.97Å; S388-K390 VanDerWaalsContact C-N 3.35Å; S388-K390 PolarHBondContact O-N 2.81Å; S388-W391 PolarHBondContact O-N 2.88Å; S388-H392 WeakPolarHBondContact O-CB 3.3Å; S388-H392 PolarHBondContact O-N 2.74Å; S388-H392 PolarHBondContact O-ND1 3.07Å; S388-H392 PolarHBondContact OG-CE1 3.48Å; S388-H392 PolarHBondContact OG-ND1 3.04Å |
| 389 | R | 87.8 | Confident | 76.5 | Confident | 131 Ų | 131 | 99.4 Ų | 99.4 | 49% | 0.494 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64 | -39.1 | 178.1 | -166.7 | -176.5 | 74.5 | -152 | -8.7 | 112 | T385 E386 I387 G393 | T385-R389 VanDerWaalsContact O-CB 3.31Å; T385-R389 WeakPolarHBondContact O-CB 2.96Å; T385-R389 PolarHBondContact O-N 2.97Å; E386-R389 PolarHBondContact O-N 2.03Å; E386-R389 IonicContact OE1-CZ 3.19Å; E386-R389 IonicContact OE1-NH1 2.57Å; E386-R389 PolarHBondContact OE1-NH1 3.15Å; E386-R389 IonicContact OE1-NH2 2.81Å; E386-R389 PolarHBondContact OE1-NH2 2.78Å; E386-R389 IonicContact OE2-CZ 3.21Å; E386-R389 IonicContact OE2-NH1 3.99Å; E386-R389 PolarHBondContact OE2-NH1 2.85Å; E386-R389 IonicContact OE2-NH2 3.37Å; E386-R389 PolarHBondContact OE2-NH2 2.94Å; I387-R389 VanDerWaalsContact C-N 3.29Å; I387-R389 PolarHBondContact O-N 2.91Å; R389-G393 PolarHBondContact O-N 3.31Å |
| 390 | K | 85 | Confident | 74.2 | Confident | 134 Ų | 134 | 99.9 Ų | 99.9 | 58% | 0.583 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -71 | -37.1 | 177.8 | -167 | 172.4 | -179.1 | -176.2 | 0 | 111.9 | L154 E386 I387 S388 H394 | L154-K390 HydrophobicContact CD2-CD 3.72Å; E386-K390 WeakPolarHBondContact O-CB 3.4Å; E386-K390 PolarHBondContact O-N 3.21Å; I387-K390 PolarHBondContact O-N 3.47Å; I387-K390 VanDerWaalsContact O-N 3.15Å; S388-K390 VanDerWaalsContact C-N 3.35Å; S388-K390 PolarHBondContact O-N 2.81Å; K390-H394 PolarHBondContact O-N 3.47Å |
| 391 | W | 86.4 | Confident | 71.9 | Confident | 176 Ų | 176 | 102.8 Ų | 102.8 | 67% | 0.667 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.4 | -52.2 | 174.5 | -162.7 | -54.7 | 0 | 0 | 0 | 111.1 | I387 S388 G393 H394 D395 | I387-W391 WeakPolarHBondContact O-CB 3.35Å; I387-W391 PolarHBondContact O-N 3.43Å; S388-W391 PolarHBondContact O-N 2.88Å; W391-G393 VanDerWaalsContact C-N 3.27Å; W391-G393 PolarHBondContact O-N 3.3Å; W391-H394 WeakPolarHBondContact O-CB 3.5Å; W391-H394 PolarHBondContact O-N 2.96Å; W391-D395 PolarHBondContact O-N 3.05Å |
| 392 | H | 81.1 | Confident | 69.6 | Low | 112 Ų | 112 | 108 Ų | 108 | 52% | 0.519 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -68 | -26 | 179.4 | -69.6 | 65.7 | 0 | 0 | 0 | 112.8 | S388 H394 D395 | S388-H392 WeakPolarHBondContact O-CB 3.3Å; S388-H392 PolarHBondContact O-N 2.74Å; S388-H392 PolarHBondContact O-ND1 3.07Å; S388-H392 PolarHBondContact OG-CE1 3.48Å; S388-H392 PolarHBondContact OG-ND1 3.04Å; H392-H394 PolarHBondContact O-N 3.18Å; H392-D395 PolarHBondContact O-N 3.05Å |
| 393 | G | 70.9 | Confident | 67.2 | Low | 67 Ų | 67 | 117 Ų | 117 | 69% | 0.691 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -15.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | R389 W391 | R389-G393 PolarHBondContact O-N 3.31Å; W391-G393 VanDerWaalsContact C-N 3.27Å; W391-G393 PolarHBondContact O-N 3.3Å |
| 394 | H | 61.9 | Low | 64.7 | Low | 160 Ų | 160 | 123.2 Ų | 123.2 | 74% | 0.741 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | -14.7 | 175.2 | -151.3 | 87.7 | 0 | 0 | 0 | 112.8 | K390 W391 H392 P396 | K390-H394 PolarHBondContact O-N 3.47Å; W391-H394 WeakPolarHBondContact O-CB 3.5Å; W391-H394 PolarHBondContact O-N 2.96Å; H392-H394 PolarHBondContact O-N 3.18Å; H394-P396 VanDerWaalsContact C-CD 3.4Å; H394-P396 WeakPolarHBondContact O-CD 3.19Å |
| 395 | D | 51.1 | Low | 62 | Low | 67 Ų | 67 | 129 Ų | 129 | 36% | 0.358 | 64% | 0.641 | S | S | . | * | trans | -100.8 | 83.5 | 173.5 | -69.9 | -36 | 0 | 0 | 0 | 110.3 | W391 H392 E397 L398 | W391-D395 PolarHBondContact O-N 3.05Å; H392-D395 PolarHBondContact O-N 3.05Å; D395-E397 PolarHBondContact O-N 2.9Å; D395-L398 HydrophobicContact CB-CB 4.48Å; D395-L398 PolarHBondContact O-N 3.25Å | ||
| 396 | P | 52.2 | Low | 59.4 | Low | 113 Ų | 113 | 130.3 Ų | 130.3 | 73% | 0.734 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | -10.7 | 176.9 | 24 | -32.2 | 0 | 0 | 0 | 113.8 | H394 | H394-P396 VanDerWaalsContact C-CD 3.4Å; H394-P396 WeakPolarHBondContact O-CD 3.19Å |
| 397 | E | 52.3 | Low | 56.9 | Low | 190 Ų | 190 | 138 Ų | 138 | 89% | 0.888 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.5 | 3 | -175.8 | -68.2 | -149.1 | 115.5 | 0 | 0 | 115.8 | D395 | D395-E397 PolarHBondContact O-N 2.9Š|
| 398 | L | 46 | Very low | 54.2 | Low | 126 Ų | 126 | 146.3 Ų | 146.3 | 66% | 0.66 | 72% | 0.72 | S | S | * | * | trans | -116.6 | 17 | -177 | -116.3 | 103.4 | 0 | 0 | 0 | 116.4 | D395 P400 | D395-L398 HydrophobicContact CB-CB 4.48Å; D395-L398 PolarHBondContact O-N 3.25Å; L398-P400 WeakPolarHBondContact O-CD 3.24Å | ||
| 399 | L | 42.2 | Very low | 51.9 | Low | 152 Ų | 152 | 150.2 Ų | 150.2 | 80% | 0.796 | 74% | 0.741 | S | S | * | * | trans | -71.8 | 108.5 | 173.9 | -76.6 | 168.9 | 0 | 0 | 0 | 111 | ||||
| 400 | P | 40.7 | Very low | 49.7 | Very low | 95 Ų | 95 | 150.2 Ų | 150.2 | 62% | 0.617 | 76% | 0.756 | S | S | * | * | trans | -80.2 | 134.9 | 171.2 | 17.7 | 0.5 | 0 | 0 | 0 | 108.6 | L398 W402 | L398-P400 WeakPolarHBondContact O-CD 3.24Å; P400-W402 VanDerWaalsContact C-N 3.28Å; P400-W402 PolarHBondContact O-N 2.86Å | ||
| 401 | A | 38.9 | Very low | 47.5 | Very low | 97 Ų | 97 | 149.9 Ų | 149.9 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | trans | -62 | 69.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 402 | W | 38.6 | Very low | 45.1 | Very low | 239 Ų | 239 | 147.1 Ų | 147.1 | 91% | 0.905 | 78% | 0.775 | S | S | * | * | trans | -104.3 | 21.1 | 179.1 | -82.1 | 83.9 | 0 | 0 | 0 | 114.7 | P400 | P400-W402 VanDerWaalsContact C-N 3.28Å; P400-W402 PolarHBondContact O-N 2.86Å | ||
| 403 | R | 38.5 | Very low | 42.9 | Very low | 241 Ų | 241 | 153.5 Ų | 153.5 | 91% | 0.909 | 80% | 0.795 | S | S | * | * | trans | -121.6 | 51.7 | 178.7 | -142.2 | -172.9 | -66.7 | -175.5 | 1.9 | 113.3 | ||||
| 404 | T | 37.2 | Very low | 41.2 | Very low | 130 Ų | 130 | 156 Ų | 156 | 80% | 0.798 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -143.2 | 118.9 | 160.7 | 29.8 | 0 | 0 | 0 | 0 | 108.8 | ||
| 405 | R | 33.3 | Very low | 39.9 | Very low | 245 Ų | 245 | 152.8 Ų | 152.8 | 93% | 0.925 | 80% | 0.803 | S | S | * | * | trans | 93.8 | 74.6 | 169.1 | -156.4 | 176.4 | -72.3 | -175.1 | -2 | 117.2 | ||||
| 406 | A | 36.5 | Very low | 39 | Very low | 108 Ų | 108 | 154.1 Ų | 154.1 | 89% | 0.893 | 82% | 0.823 | S | S | * | * | trans | -126.3 | 99.9 | 144.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 407 | K | 36.9 | Very low | 38 | Very low | 190 Ų | 190 | 158.1 Ų | 158.1 | 83% | 0.826 | 83% | 0.829 | S | S | * | * | trans | -69.9 | 129.8 | 173.5 | -117.9 | 174.8 | 177.3 | -180 | 0 | 108.4 | ||||
| 408 | W | 32.3 | Very low | 37.2 | Very low | 244 Ų | 244 | 155 Ų | 155 | 92% | 0.924 | 82% | 0.822 | S | S | * | * | trans | -0.3 | 113 | 156.6 | -58.7 | 88.1 | 0 | 0 | 0 | 118 | ||||
| 409 | T | 39.4 | Very low | 36.5 | Very low | 137 Ų | 137 | 156.1 Ų | 156.1 | 84% | 0.84 | 83% | 0.828 | S | S | * | * | trans | -140.8 | 121 | 147.5 | 48.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 410 | T | 42 | Very low | 36.2 | Very low | 132 Ų | 132 | 153.7 Ų | 153.7 | 81% | 0.81 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 145.6 | 174.5 | 31.1 | 0 | 0 | 0 | 0 | 111.5 | ||
| 411 | P | 39 | Very low | 35.9 | Very low | 127 Ų | 127 | 151.2 Ų | 151.2 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 131.6 | -166.9 | 29.7 | -25.3 | 0 | 0 | 0 | 112.9 | ||
| 412 | S | 36.7 | Very low | 35.9 | Very low | 117 Ų | 117 | 154.1 Ų | 154.1 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -73 | 131.2 | 166.4 | 176.9 | 0 | 0 | 0 | 0 | 110.8 | S414 | S412-S414 PolarHBondContact O-N 3.19Å; S412-S414 VanDerWaalsContact O-N 3.1Å |
| 413 | R | 34.6 | Very low | 36.2 | Very low | 247 Ų | 247 | 147.7 Ų | 147.7 | 93% | 0.932 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -64.8 | 94.8 | 173.8 | -83.9 | 172.2 | 154.5 | 174.3 | -6.2 | 110.6 | ||
| 414 | S | 34.6 | Very low | 36.1 | Very low | 119 Ų | 119 | 143 Ų | 143 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | trans | 178.9 | 82.5 | 155 | 177.7 | 0 | 0 | 0 | 0 | 109.7 | S412 | S412-S414 PolarHBondContact O-N 3.19Å; S412-S414 VanDerWaalsContact O-N 3.1Å | ||
| 415 | A | 34.8 | Very low | 36.1 | Very low | 93 Ų | 93 | 143.7 Ų | 143.7 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | -145 | 111.4 | 166.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | K417 | A415-K417 PolarHBondContact O-N 3.01Å; A415-K417 VanDerWaalsContact O-N 3.1Å | ||
| 416 | A | 33.3 | Very low | 36.2 | Very low | 95 Ų | 95 | 138.1 Ų | 138.1 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | trans | -51.7 | 115.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | V418 | A416-V418 VanDerWaalsContact C-N 3.3Å; A416-V418 PolarHBondContact O-N 3.18Å | ||
| 417 | K | 31 | Very low | 36.2 | Very low | 197 Ų | 197 | 139.8 Ų | 139.8 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | trans | -64 | 93.3 | 169.8 | -78.5 | 179 | 176.5 | 177.2 | 0 | 108 | A415 L419 | A415-K417 PolarHBondContact O-N 3.01Å; A415-K417 VanDerWaalsContact O-N 3.1Å; K417-L419 PolarHBondContact O-N 3.19Å; K417-L419 VanDerWaalsContact O-N 3.13Å | ||
| 418 | V | 35.1 | Very low | 36.1 | Very low | 123 Ų | 123 | 136.7 Ų | 136.7 | 75% | 0.745 | 77% | 0.77 | S | S | * | * | trans | -62.1 | 111.2 | 155.3 | 174.1 | 0 | 0 | 0 | 0 | 105.2 | A416 T420 | A416-V418 VanDerWaalsContact C-N 3.3Å; A416-V418 PolarHBondContact O-N 3.18Å; V418-T420 PolarHBondContact O-N 3.35Å | ||
| 419 | L | 30.8 | Very low | 36.4 | Very low | 151 Ų | 151 | 129.5 Ų | 129.5 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | trans | -72.2 | 74.4 | -178.2 | -153.1 | 101.1 | 0 | 0 | 0 | 108.7 | K417 S421 | K417-L419 PolarHBondContact O-N 3.19Å; K417-L419 VanDerWaalsContact O-N 3.13Å; L419-S421 PolarHBondContact O-N 2.91Å | ||
| 420 | T | 36.7 | Very low | 36.2 | Very low | 100 Ų | 100 | 129 Ų | 129 | 61% | 0.613 | 75% | 0.754 | S | S | * | * | trans | -66.5 | 95.6 | 151.4 | 46.4 | 0 | 0 | 0 | 0 | 104.8 | V418 M422 | V418-T420 PolarHBondContact O-N 3.35Å; T420-M422 PolarHBondContact O-N 3.03Å | ||
| 421 | S | 34.7 | Very low | 35.7 | Very low | 44 Ų | 44 | 128.8 Ų | 128.8 | 31% | 0.308 | 75% | 0.75 | S | S | . | * | trans | -62.1 | 91.7 | 165.5 | 120.4 | 0 | 0 | 0 | 0 | 105.1 | R161 L419 C423 | R161-S421 PolarHBondContact NH2-OG 3.47Å; L419-S421 PolarHBondContact O-N 2.91Å; S421-C423 PolarHBondContact O-N 2.7Å | ||
| 422 | M | 37.8 | Very low | 35.5 | Very low | 157 Ų | 157 | 128.9 Ų | 128.9 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | trans | -50.9 | 138.1 | 159.5 | -65.6 | -165.3 | 77.5 | 0 | 0 | 106.1 | T420 | T420-M422 PolarHBondContact O-N 3.03Š| ||
| 423 | C | 45.5 | Very low | 35.3 | Very low | 104 Ų | 104 | 130 Ų | 130 | 70% | 0.703 | 74% | 0.737 | S | S | * | * | trans | -53.6 | 0 | 150.7 | -45.2 | 0 | 0 | 0 | 0 | 108.2 | C159 S421 | C159-C423 HydrophobicContact CB-CB 3.75Å; C159-C423 WeakPolarHBondContact CB-SG 3.38Å; C159-C423 WeakPolarHBondContact SG-CB 3.43Å; C159-C423 CovalentContact SG-SG 1.97Å; C159-C423 PolarHBondContact SG-SG 3.32Å; S421-C423 PolarHBondContact O-N 2.7Å |
Retrieved 423 of 423 residues in 291.7 ms
(Link to these results)