| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 43.4 | Very low | 79.8 | Confident | 228 Ų | 228 | 88.4 Ų | 88.4 | 100% | 1.123 | 46% | 0.458 | S | S | * | . | 0 | 114.2 | 0 | -170 | 171.3 | -73.3 | 0 | 0 | 104.7 | L3 | M1-L3 PolarHBondContact O-N 2.89Š| |||
| 2 | E | 67.4 | Low | 80 | Confident | 169 Ų | 169 | 86.1 Ų | 86.1 | 79% | 0.79 | 46% | 0.456 | S | S | * | . | trans | -68.2 | 125.3 | 179.7 | -75.5 | 159.5 | -161.7 | 0 | 0 | 108 | ||||
| 3 | L | 85.5 | Confident | 80.6 | Confident | 70 Ų | 70 | 83.4 Ų | 83.4 | 37% | 0.366 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -74.3 | -37.3 | -169.3 | -173.7 | 73.9 | 0 | 0 | 0 | 111.3 | M1 A168 V171 L172 | M1-L3 PolarHBondContact O-N 2.89Å; L3-A168 HydrophobicContact CG-CB 4.39Å; L3-A168 WeakPolarHBondContact O-CB 3.39Å; L3-V171 HydrophobicContact CD1-CB 3.86Å; L3-V171 HydrophobicContact CD1-CG1 3.91Å; L3-V171 HydrophobicContact CD1-CG2 3.96Å; L3-V171 HydrophobicContact CD2-CB 3.88Å; L3-V171 HydrophobicContact CD2-CG1 3.6Å; L3-V171 HydrophobicContact CG-CB 4.38Å; L3-V171 HydrophobicContact CG-CG1 4.39Å; L3-L172 HydrophobicContact CD2-CD1 4.37Å; L3-L172 HydrophobicContact CD2-CD2 3.57Å; L3-L172 HydrophobicContact CD2-CG 3.69Å |
| 4 | I | 89.7 | Confident | 81.4 | Confident | 17 Ų | 17 | 77.7 Ų | 77.7 | 9% | 0.087 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -91.5 | 133.7 | 175.3 | -64 | 168.7 | 0 | 0 | 0 | 107.7 | H6 I120 F125 L127 P134 A168 L172 | I4-H6 PolarHBondContact O-N 3.08Å; I4-I120 HydrophobicContact CB-CD1 4.36Å; I4-I120 HydrophobicContact CD1-CD1 4.15Å; I4-I120 HydrophobicContact CG1-CD1 3.93Å; I4-I120 HydrophobicContact CG2-CD1 3.63Å; I4-F125 HydrophobicContact CD1-CD1 3.6Å; I4-F125 HydrophobicContact CD1-CD2 3.98Å; I4-F125 HydrophobicContact CD1-CE1 3.47Å; I4-F125 VanDerWaalsContact CD1-CE1 3.47Å; I4-F125 HydrophobicContact CD1-CE2 3.87Å; I4-F125 HydrophobicContact CD1-CG 3.85Å; I4-F125 HydrophobicContact CD1-CZ 3.62Å; I4-L127 HydrophobicContact CG2-CD2 3.79Å; I4-P134 HydrophobicContact CB-CG 4.05Å; I4-P134 HydrophobicContact CD1-CB 4.11Å; I4-P134 HydrophobicContact CD1-CG 4.48Å; I4-P134 HydrophobicContact CG2-CB 4.15Å; I4-P134 HydrophobicContact CG2-CG 3.64Å; I4-A168 HydrophobicContact CG1-CB 4.14Å; I4-L172 HydrophobicContact CD1-CD1 3.91Å; I4-L172 HydrophobicContact CG1-CD1 3.99Å |
| 5 | F | 91 | Very high | 82.2 | Confident | 55 Ų | 55 | 72.5 Ų | 72.5 | 24% | 0.241 | 38% | 0.384 | C | S | . | . | trans | -75.5 | 122.9 | 172.8 | 179.1 | -89.2 | 0 | 0 | 0 | 110.3 | E7 N20 Q24 G25 P26 | F5-E7 HydrophobicContact CE1-CG 3.7Å; F5-E7 HydrophobicContact CE2-CG 4.34Å; F5-E7 HydrophobicContact CZ-CG 3.44Å; F5-E7 VanDerWaalsContact CZ-CG 3.44Å; F5-E7 WeakPolarHBondContact CZ-OE1 3.32Å; F5-N20 HydrophobicContact CE1-CB 3.87Å; F5-Q24 HydrophobicContact CB-CB 4.38Å; F5-Q24 PolarHBondContact O-NE2 2.79Å; F5-G25 VanDerWaalsContact CD1-N 3.31Å; F5-G25 VanDerWaalsContact CE1-C 3.45Å; F5-P26 HydrophobicContact CE2-CB 4.26Å; F5-P26 HydrophobicContact CE2-CG 4.21Å; F5-P26 HydrophobicContact CZ-CB 3.92Å; F5-P26 HydrophobicContact CZ-CG 4.33Å; F5-P26 VanDerWaalsContact CZ-N 3.31Å | ||
| 6 | H | 90.2 | Very high | 83 | Confident | 27 Ų | 27 | 69.8 Ų | 69.8 | 13% | 0.125 | 37% | 0.368 | C | S | . | . | trans | -142 | 130.8 | 177.7 | -177.6 | -116.1 | 0 | 0 | 0 | 108.8 | I4 N128 L131 P134 | I4-H6 PolarHBondContact O-N 3.08Å; H6-N128 PolarHBondContact NE2-O 3.36Å; H6-L131 PolarHBondContact CE1-O 3.43Å; H6-P134 HydrophobicContact CB-CG 3.74Å | ||
| 7 | E | 86.6 | Confident | 83.6 | Confident | 42 Ų | 42 | 66.6 Ų | 66.6 | 20% | 0.196 | 35% | 0.351 | C | S | . | . | trans | -111 | 117.9 | 173.1 | -70.9 | -178.7 | 154.6 | 0 | 0 | 108.1 | F5 H17 N20 S129 | F5-E7 HydrophobicContact CE1-CG 3.7Å; F5-E7 HydrophobicContact CE2-CG 4.34Å; F5-E7 HydrophobicContact CZ-CG 3.44Å; F5-E7 VanDerWaalsContact CZ-CG 3.44Å; F5-E7 WeakPolarHBondContact CZ-OE1 3.32Å; E7-H17 HydrophobicContact CB-CB 4.46Å; E7-H17 VanDerWaalsContact CB-ND1 3.34Å; E7-H17 WeakPolarHBondContact CB-ND1 3.21Å; E7-H17 IonicContact OE2-CE1 2.76Å; E7-H17 IonicContact OE2-CG 3.99Å; E7-H17 IonicContact OE2-ND1 3.56Å; E7-H17 PolarHBondContact OE2-ND1 2.83Å; E7-N20 PolarHBondContact OE2-ND2 3.27Å; E7-S129 WeakPolarHBondContact O-CB 3.4Å | ||
| 8 | K | 87.2 | Confident | 84.3 | Confident | 131 Ų | 131 | 62.9 Ų | 62.9 | 57% | 0.57 | 33% | 0.332 | S | S | * | . | trans | -66.9 | 134.7 | 166 | -170.5 | 170.3 | -175 | 171.2 | 0 | 109.2 | S129 | K8-S129 WeakPolarHBondContact CA-O 3.24Š| ||
| 9 | Q | 82.2 | Confident | 84.9 | Confident | 29 Ų | 29 | 59.7 Ų | 59.7 | 14% | 0.136 | 32% | 0.315 | C | S | . | . | trans | -86 | 130.9 | -179.1 | 169.5 | 176 | -22 | 0 | 0 | 111.8 | G11 C14 H17 H113 S129 | Q9-G11 WeakPolarHBondContact CG-O 3.25Å; Q9-G11 PolarHBondContact NE2-O 3.31Å; Q9-C14 VanDerWaalsContact OE1-CB 3.27Å; Q9-H17 VanDerWaalsContact CB-CD2 3.43Å; Q9-H17 WeakPolarHBondContact CB-CD2 3.22Å; Q9-H113 PolarHBondContact OE1-CE1 3.34Å; Q9-S129 PolarHBondContact N-O 2.92Å; Q9-S129 PolarHBondContact OE1-OG 3.47Å | ||
| 10 | D | 74.8 | Confident | 85.4 | Confident | 140 Ų | 140 | 56.8 Ų | 56.8 | 75% | 0.749 | 30% | 0.299 | S | S | * | . | trans | -107 | 123.8 | 163.8 | -72 | -42.8 | 0 | 0 | 0 | 109.3 | ||||
| 11 | G | 79.7 | Confident | 85.8 | Confident | 64 Ų | 64 | 54.1 Ų | 54.1 | 66% | 0.66 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78 | -148.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q9 | Q9-G11 WeakPolarHBondContact CG-O 3.25Å; Q9-G11 PolarHBondContact NE2-O 3.31Å |
| 12 | S | 82.3 | Confident | 88.3 | Confident | 61 Ų | 61 | 43.3 Ų | 43.3 | 43% | 0.427 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 9.2 | -169.9 | -45.2 | 0 | 0 | 0 | 0 | 115.1 | C14 S64 | S12-C14 PolarHBondContact O-N 3.45Å; S12-S64 VanDerWaalsContact CB-O 3.3Å; S12-S64 WeakPolarHBondContact CB-O 3.46Å; S12-S64 PolarHBondContact OG-O 2.81Å |
| 13 | L | 87.8 | Confident | 89.6 | Confident | 51 Ų | 51 | 35.3 Ų | 35.3 | 27% | 0.267 | 20% | 0.195 | S | C | . | . | trans | -78.3 | 38.8 | -169.9 | -64.4 | 173.8 | 0 | 0 | 0 | 114.4 | A15 Q16 H17 A30 F67 | L13-A15 VanDerWaalsContact C-N 3.32Å; L13-A15 PolarHBondContact O-N 3.2Å; L13-Q16 HydrophobicContact CB-CB 4.46Å; L13-Q16 WeakPolarHBondContact O-CB 3.37Å; L13-Q16 PolarHBondContact O-N 3.11Å; L13-H17 PolarHBondContact O-CD2 2.91Å; L13-H17 VanDerWaalsContact O-CD2 3.25Å; L13-H17 PolarHBondContact O-N 3.41Å; L13-A30 HydrophobicContact CD1-CB 4.13Å; L13-A30 HydrophobicContact CD2-CB 3.9Å; L13-F67 HydrophobicContact CD2-CE2 4.16Å | ||
| 14 | C | 92.4 | Very high | 90 | Very high | 4 Ų | 4 | 32.8 Ų | 32.8 | 3% | 0.027 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.2 | -38 | -173.8 | 54.7 | 0 | 0 | 0 | 0 | 114 | Q9 S12 Q16 H17 C18 H113 W114 | Q9-C14 VanDerWaalsContact OE1-CB 3.27Å; S12-C14 PolarHBondContact O-N 3.45Å; C14-Q16 VanDerWaalsContact C-N 3.28Å; C14-Q16 PolarHBondContact O-N 3.23Å; C14-H17 PolarHBondContact O-N 3.45Å; C14-C18 WeakPolarHBondContact O-CB 3.35Å; C14-C18 PolarHBondContact O-N 2.98Å; C14-H113 WeakPolarHBondContact CB-ND1 3.32Å; C14-W114 HydrophobicContact CB-CB 4.25Å |
| 15 | A | 93.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.5 | -34.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L13 L19 L33 F67 I72 | L13-A15 VanDerWaalsContact C-N 3.32Å; L13-A15 PolarHBondContact O-N 3.2Å; A15-L19 WeakPolarHBondContact O-CB 3.2Å; A15-L19 WeakPolarHBondContact O-CD1 3.34Å; A15-L19 VanDerWaalsContact O-CG 3.29Å; A15-L19 WeakPolarHBondContact O-CG 3.31Å; A15-L19 PolarHBondContact O-N 3.43Å; A15-L19 VanDerWaalsContact O-N 3.12Å; A15-L33 HydrophobicContact CB-CD1 4.17Å; A15-F67 HydrophobicContact CB-CB 3.89Å; A15-F67 HydrophobicContact CB-CD2 3.88Å; A15-F67 HydrophobicContact CB-CG 4.25Å; A15-I72 HydrophobicContact CB-CD1 4.13Å; A15-I72 HydrophobicContact CB-CG1 4.18Å |
| 16 | Q | 94.1 | Very high | 90.3 | Very high | 28 Ų | 28 | 33.9 Ų | 33.9 | 13% | 0.131 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.1 | -56.1 | 176.1 | -174.3 | -167.7 | -61.6 | 0 | 0 | 110.5 | L13 C14 C18 L19 N20 F28 L33 | L13-Q16 HydrophobicContact CB-CB 4.46Å; L13-Q16 WeakPolarHBondContact O-CB 3.37Å; L13-Q16 PolarHBondContact O-N 3.11Å; C14-Q16 VanDerWaalsContact C-N 3.28Å; C14-Q16 PolarHBondContact O-N 3.23Å; Q16-C18 VanDerWaalsContact C-N 3.33Å; Q16-C18 PolarHBondContact O-N 2.64Å; Q16-L19 PolarHBondContact O-N 3.16Å; Q16-N20 WeakPolarHBondContact O-CB 3.31Å; Q16-N20 VanDerWaalsContact O-CG 3.28Å; Q16-N20 PolarHBondContact O-N 2.78Å; Q16-F28 VanDerWaalsContact CG-O 3.24Å; Q16-F28 WeakPolarHBondContact CG-O 3.27Å; Q16-L33 HydrophobicContact CB-CD1 4.02Å |
| 17 | H | 94 | Very high | 90.4 | Very high | 16 Ų | 16 | 36 Ų | 36 | 7% | 0.074 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.4 | -35.4 | -175.8 | -58.2 | -62.7 | 0 | 0 | 0 | 111.8 | E7 Q9 L13 C14 N20 A21 | E7-H17 HydrophobicContact CB-CB 4.46Å; E7-H17 VanDerWaalsContact CB-ND1 3.34Å; E7-H17 WeakPolarHBondContact CB-ND1 3.21Å; E7-H17 IonicContact OE2-CE1 2.76Å; E7-H17 IonicContact OE2-CG 3.99Å; E7-H17 IonicContact OE2-ND1 3.56Å; E7-H17 PolarHBondContact OE2-ND1 2.83Å; Q9-H17 VanDerWaalsContact CB-CD2 3.43Å; Q9-H17 WeakPolarHBondContact CB-CD2 3.22Å; L13-H17 PolarHBondContact O-CD2 2.91Å; L13-H17 VanDerWaalsContact O-CD2 3.25Å; L13-H17 PolarHBondContact O-N 3.41Å; C14-H17 PolarHBondContact O-N 3.45Å; H17-N20 PolarHBondContact O-N 2.77Å; H17-A21 WeakPolarHBondContact O-CB 3.43Å; H17-A21 PolarHBondContact O-N 3.26Å |
| 18 | C | 95.2 | Very high | 90.8 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.007 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.5 | -51.6 | 171.3 | -178.6 | 0 | 0 | 0 | 0 | 111.8 | C14 Q16 N20 A21 L22 W114 T116 | C14-C18 WeakPolarHBondContact O-CB 3.35Å; C14-C18 PolarHBondContact O-N 2.98Å; Q16-C18 VanDerWaalsContact C-N 3.33Å; Q16-C18 PolarHBondContact O-N 2.64Å; C18-N20 PolarHBondContact O-N 3.43Å; C18-A21 PolarHBondContact O-N 3.42Å; C18-L22 WeakPolarHBondContact O-CB 3.11Å; C18-L22 PolarHBondContact O-N 2.84Å; C18-W114 HydrophobicContact CB-CB 4.1Å; C18-T116 PolarHBondContact O-OG1 3.08Å; C18-T116 VanDerWaalsContact O-OG1 3.05Å; C18-T116 PolarHBondContact SG-OG1 2.94Å |
| 19 | L | 95.9 | Very high | 91 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.5 | -38.6 | 178.5 | -74.2 | 168.9 | 0 | 0 | 0 | 112.8 | A15 Q16 L22 L23 F28 L33 I72 A75 L76 | A15-L19 WeakPolarHBondContact O-CB 3.2Å; A15-L19 WeakPolarHBondContact O-CD1 3.34Å; A15-L19 VanDerWaalsContact O-CG 3.29Å; A15-L19 WeakPolarHBondContact O-CG 3.31Å; A15-L19 PolarHBondContact O-N 3.43Å; A15-L19 VanDerWaalsContact O-N 3.12Å; Q16-L19 PolarHBondContact O-N 3.16Å; L19-L22 PolarHBondContact O-N 2.81Å; L19-L23 WeakPolarHBondContact O-CB 3.2Å; L19-L23 WeakPolarHBondContact O-CG 3.41Å; L19-L23 PolarHBondContact O-N 3Å; L19-F28 HydrophobicContact CB-CD2 3.92Å; L19-F28 HydrophobicContact CD1-CD2 4.21Å; L19-F28 HydrophobicContact CD1-CG 4.28Å; L19-L33 HydrophobicContact CD1-CD1 4.32Å; L19-L33 HydrophobicContact CD1-CD2 3.65Å; L19-I72 HydrophobicContact CD2-CG2 4.04Å; L19-A75 HydrophobicContact CD1-CB 3.68Å; L19-A75 HydrophobicContact CD2-CB 4.41Å; L19-L76 HydrophobicContact CD2-CD1 4.4Å; L19-L76 HydrophobicContact CD2-CD2 3.72Å; L19-L76 HydrophobicContact CD2-CG 3.79Å |
| 20 | N | 95.4 | Very high | 91.5 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -70 | -41.2 | 179.1 | -71.3 | -9.2 | 0 | 0 | 0 | 112 | F5 E7 Q16 H17 C18 L23 Q24 G25 Y27 F28 | F5-N20 HydrophobicContact CE1-CB 3.87Å; E7-N20 PolarHBondContact OE2-ND2 3.27Å; Q16-N20 WeakPolarHBondContact O-CB 3.31Å; Q16-N20 VanDerWaalsContact O-CG 3.28Å; Q16-N20 PolarHBondContact O-N 2.78Å; H17-N20 PolarHBondContact O-N 2.77Å; C18-N20 PolarHBondContact O-N 3.43Å; N20-L23 PolarHBondContact O-N 3.11Å; N20-Q24 WeakPolarHBondContact O-CA 3.22Å; N20-Q24 PolarHBondContact O-N 2.76Å; N20-G25 CarbonylContact C-O 3.54Å; N20-G25 VanDerWaalsContact CA-O 3.28Å; N20-G25 WeakPolarHBondContact CA-O 3.39Å; N20-G25 VanDerWaalsContact CB-O 3.25Å; N20-G25 WeakPolarHBondContact CB-O 3.48Å; N20-G25 PolarHBondContact O-N 3.47Å; N20-Y27 PolarHBondContact OD1-N 2.95Å; N20-F28 PolarHBondContact ND2-O 3.06Å; N20-F28 PolarHBondContact OD1-N 2.81Å; N20-F28 PolarHBondContact OD1-O 3.39Å |
| 21 | A | 94.4 | Very high | 92.3 | Very high | 2 Ų | 2 | 26.2 Ų | 26.2 | 2% | 0.017 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.7 | -44.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | H17 C18 L23 Q24 L127 | H17-A21 WeakPolarHBondContact O-CB 3.43Å; H17-A21 PolarHBondContact O-N 3.26Å; C18-A21 PolarHBondContact O-N 3.42Å; A21-L23 PolarHBondContact O-N 3.23Å; A21-Q24 PolarHBondContact O-N 2.73Å; A21-Q24 PolarHBondContact O-NE2 2.9Å; A21-L127 HydrophobicContact CB-CB 3.76Å; A21-L127 HydrophobicContact CB-CD1 4.03Å; A21-L127 WeakPolarHBondContact O-CD1 3.49Å |
| 22 | L | 95.8 | Very high | 93 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.1 | -43.2 | 175.3 | 176.6 | 59.4 | 0 | 0 | 0 | 112.8 | C18 L19 Q24 L76 A105 I107 T116 R118 I159 L163 | C18-L22 WeakPolarHBondContact O-CB 3.11Å; C18-L22 PolarHBondContact O-N 2.84Å; L19-L22 PolarHBondContact O-N 2.81Å; L22-Q24 VanDerWaalsContact C-N 3.29Å; L22-L76 HydrophobicContact CD2-CD2 3.58Å; L22-A105 HydrophobicContact CD1-CB 3.31Å; L22-I107 HydrophobicContact CD2-CD1 3.83Å; L22-I107 HydrophobicContact CD2-CG1 4.18Å; L22-T116 HydrophobicContact CB-CG2 3.87Å; L22-T116 HydrophobicContact CD1-CG2 3.94Å; L22-T116 HydrophobicContact CG-CG2 4.49Å; L22-R118 WeakPolarHBondContact O-CD 3.31Å; L22-R118 PolarHBondContact O-NH1 3.49Å; L22-I159 HydrophobicContact CD1-CG1 4.1Å; L22-I159 HydrophobicContact CD2-CD1 3.78Å; L22-I159 HydrophobicContact CD2-CG1 3.79Å; L22-I159 HydrophobicContact CD2-CG2 4.4Å; L22-L163 HydrophobicContact CD1-CD1 4.46Å; L22-L163 HydrophobicContact CD1-CD2 3.98Å; L22-L163 HydrophobicContact CG-CD2 4.3Å |
| 23 | L | 94.9 | Very high | 93.5 | Very high | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.01 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -83.4 | -6 | 179.6 | -65.4 | 174.8 | 0 | 0 | 0 | 113.3 | L19 N20 A21 Y27 F28 W79 L81 P164 | L19-L23 WeakPolarHBondContact O-CB 3.2Å; L19-L23 WeakPolarHBondContact O-CG 3.41Å; L19-L23 PolarHBondContact O-N 3Å; N20-L23 PolarHBondContact O-N 3.11Å; A21-L23 PolarHBondContact O-N 3.23Å; L23-Y27 HydrophobicContact CB-CD2 3.41Å; L23-Y27 VanDerWaalsContact CB-CD2 3.41Å; L23-Y27 HydrophobicContact CB-CE2 3.83Å; L23-Y27 HydrophobicContact CB-CG 4.34Å; L23-Y27 HydrophobicContact CD1-CD2 4.11Å; L23-Y27 HydrophobicContact CD1-CG 4.24Å; L23-Y27 HydrophobicContact CG-CD2 4.41Å; L23-Y27 WeakPolarHBondContact O-CE2 3.3Å; L23-F28 HydrophobicContact CD1-CD2 4.09Å; L23-F28 HydrophobicContact CD1-CE2 3.66Å; L23-W79 HydrophobicContact CD1-CD2 4.24Å; L23-W79 HydrophobicContact CD1-CG 4.29Å; L23-W79 HydrophobicContact CD1-CZ2 4.29Å; L23-W79 HydrophobicContact CD2-CD2 4.19Å; L23-W79 HydrophobicContact CD2-CG 4.16Å; L23-L81 HydrophobicContact CD2-CD1 3.85Å; L23-P164 HydrophobicContact CB-CG 4.2Å; L23-P164 HydrophobicContact CD2-CG 3.83Å; L23-P164 VanDerWaalsContact O-CG 3.31Å; L23-P164 WeakPolarHBondContact O-CG 3.27Å |
| 24 | Q | 94 | Very high | 93.7 | Very high | 16 Ų | 16 | 20 Ų | 20 | 8% | 0.075 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 47.3 | -176.3 | -71.8 | -71.2 | -69 | 0 | 0 | 113 | F5 N20 A21 L22 C166 | F5-Q24 HydrophobicContact CB-CB 4.38Å; F5-Q24 PolarHBondContact O-NE2 2.79Å; N20-Q24 WeakPolarHBondContact O-CA 3.22Å; N20-Q24 PolarHBondContact O-N 2.76Å; A21-Q24 PolarHBondContact O-N 2.73Å; A21-Q24 PolarHBondContact O-NE2 2.9Å; L22-Q24 VanDerWaalsContact C-N 3.29Å; Q24-C166 HydrophobicContact CB-CB 3.58Å; Q24-C166 HydrophobicContact CG-CB 4.17Å |
| 25 | G | 92.9 | Very high | 93.8 | Very high | 5 Ų | 5 | 23.9 Ų | 23.9 | 5% | 0.052 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -179.9 | 165.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | F5 N20 Y27 | F5-G25 VanDerWaalsContact CD1-N 3.31Å; F5-G25 VanDerWaalsContact CE1-C 3.45Å; N20-G25 CarbonylContact C-O 3.54Å; N20-G25 VanDerWaalsContact CA-O 3.28Å; N20-G25 WeakPolarHBondContact CA-O 3.39Å; N20-G25 VanDerWaalsContact CB-O 3.25Å; N20-G25 WeakPolarHBondContact CB-O 3.48Å; N20-G25 PolarHBondContact O-N 3.47Å; G25-Y27 VanDerWaalsContact O-CD2 3.27Å; G25-Y27 WeakPolarHBondContact O-CD2 3.34Å; G25-Y27 PolarHBondContact O-N 3Å |
| 26 | P | 92.8 | Very high | 93.8 | Very high | 91 Ų | 91 | 24.2 Ų | 24.2 | 59% | 0.591 | 14% | 0.141 | S | C | * | . | S | Bend | trans | -79.3 | 67.4 | -177.6 | 34.2 | -34 | 0 | 0 | 0 | 109.5 | F5 | F5-P26 HydrophobicContact CE2-CB 4.26Å; F5-P26 HydrophobicContact CE2-CG 4.21Å; F5-P26 HydrophobicContact CZ-CB 3.92Å; F5-P26 HydrophobicContact CZ-CG 4.33Å; F5-P26 VanDerWaalsContact CZ-N 3.31Å |
| 27 | Y | 93.4 | Very high | 93.8 | Very high | 70 Ų | 70 | 22.9 Ų | 22.9 | 28% | 0.275 | 13% | 0.134 | S | C | . | . | trans | -80.6 | -67.6 | -174.9 | -73.8 | -68.8 | 0 | 0 | 0 | 109.9 | N20 L23 G25 W79 R291 | N20-Y27 PolarHBondContact OD1-N 2.95Å; L23-Y27 HydrophobicContact CB-CD2 3.41Å; L23-Y27 VanDerWaalsContact CB-CD2 3.41Å; L23-Y27 HydrophobicContact CB-CE2 3.83Å; L23-Y27 HydrophobicContact CB-CG 4.34Å; L23-Y27 HydrophobicContact CD1-CD2 4.11Å; L23-Y27 HydrophobicContact CD1-CG 4.24Å; L23-Y27 HydrophobicContact CG-CD2 4.41Å; L23-Y27 WeakPolarHBondContact O-CE2 3.3Å; G25-Y27 VanDerWaalsContact O-CD2 3.27Å; G25-Y27 WeakPolarHBondContact O-CD2 3.34Å; G25-Y27 PolarHBondContact O-N 3Å; Y27-W79 AromaticContact CD1-CH2 3.67Å; Y27-W79 HydrophobicContact CD1-CH2 3.67Å; Y27-W79 AromaticContact CD1-CZ2 3.46Å; Y27-W79 HydrophobicContact CD1-CZ2 3.46Å; Y27-W79 VanDerWaalsContact CD1-CZ2 3.46Å; Y27-W79 AromaticContact CE1-CH2 3.46Å; Y27-W79 HydrophobicContact CE1-CH2 3.46Å; Y27-W79 VanDerWaalsContact CE1-CH2 3.46Å; Y27-W79 AromaticContact CE1-CZ2 3.8Å; Y27-W79 HydrophobicContact CE1-CZ2 3.8Å; Y27-W79 HydrophobicContact CG-CH2 4.32Å; Y27-W79 AromaticContact CG-CZ2 3.87Å; Y27-W79 HydrophobicContact CG-CZ2 3.87Å; Y27-W79 AromaticContact CZ-CH2 3.95Å; Y27-R291 VanDerWaalsContact O-CD 3.24Å; Y27-R291 WeakPolarHBondContact O-CD 3.42Å; Y27-R291 PolarHBondContact O-NE 3.05Å; Y27-R291 PolarHBondContact O-NH1 2.85Å; Y27-R291 PolarHBondContact O-NH2 3Å | ||
| 28 | F | 93.7 | Very high | 93.7 | Very high | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.009 | 16% | 0.157 | C | C | . | . | trans | -80.2 | 140.7 | -179.6 | -68.5 | -87.2 | 0 | 0 | 0 | 112.3 | Q16 L19 N20 L23 D32 L33 I36 A75 W79 | Q16-F28 VanDerWaalsContact CG-O 3.24Å; Q16-F28 WeakPolarHBondContact CG-O 3.27Å; L19-F28 HydrophobicContact CB-CD2 3.92Å; L19-F28 HydrophobicContact CD1-CD2 4.21Å; L19-F28 HydrophobicContact CD1-CG 4.28Å; N20-F28 PolarHBondContact ND2-O 3.06Å; N20-F28 PolarHBondContact OD1-N 2.81Å; N20-F28 PolarHBondContact OD1-O 3.39Å; L23-F28 HydrophobicContact CD1-CD2 4.09Å; L23-F28 HydrophobicContact CD1-CE2 3.66Å; F28-D32 HydrophobicContact CD1-CB 4.04Å; F28-L33 HydrophobicContact CB-CD2 4.16Å; F28-L33 HydrophobicContact CB-CG 4.32Å; F28-L33 HydrophobicContact CD1-CD2 3.64Å; F28-L33 HydrophobicContact CD1-CG 4.48Å; F28-L33 HydrophobicContact CE1-CD2 4.4Å; F28-L33 HydrophobicContact CG-CD2 4.05Å; F28-I36 HydrophobicContact CD1-CD1 4.4Å; F28-I36 HydrophobicContact CE1-CD1 3.92Å; F28-A75 HydrophobicContact CD1-CB 4.35Å; F28-A75 HydrophobicContact CE1-CB 3.76Å; F28-A75 HydrophobicContact CE2-CB 4.38Å; F28-A75 HydrophobicContact CZ-CB 3.8Å; F28-A75 VanDerWaalsContact CZ-O 3.27Å; F28-A75 WeakPolarHBondContact CZ-O 3.34Å; F28-W79 AromaticContact CE2-NE1 3.66Å; F28-W79 AromaticContact CZ-NE1 3.79Å | ||
| 29 | T | 92.8 | Very high | 93.5 | Very high | 28 Ų | 28 | 30.8 Ų | 30.8 | 17% | 0.172 | 17% | 0.17 | C | C | . | . | trans | -107.3 | 159.8 | 164.2 | 66.9 | 0 | 0 | 0 | 0 | 109.8 | V31 D32 L33 F294 | T29-V31 PolarHBondContact O-N 3.26Å; T29-V31 VanDerWaalsContact O-N 3.13Å; T29-V31 PolarHBondContact OG1-N 3.23Å; T29-D32 PolarHBondContact N-OD2 3.47Å; T29-D32 WeakPolarHBondContact O-CB 3.48Å; T29-D32 PolarHBondContact O-N 3.1Å; T29-D32 PolarHBondContact OG1-N 3.14Å; T29-D32 VanDerWaalsContact OG1-N 3.1Å; T29-D32 PolarHBondContact OG1-OD1 2.86Å; T29-L33 PolarHBondContact O-N 3.12Å; T29-F294 HydrophobicContact CG2-CD1 4.4Å; T29-F294 HydrophobicContact CG2-CE1 4.22Å | ||
| 30 | A | 91.4 | Very high | 93.3 | Very high | 28 Ų | 28 | 31.6 Ų | 31.6 | 23% | 0.231 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -54.4 | -30.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L13 A34 | L13-A30 HydrophobicContact CD1-CB 4.13Å; L13-A30 HydrophobicContact CD2-CB 3.9Å; A30-A34 VanDerWaalsContact O-CB 3.25Å; A30-A34 WeakPolarHBondContact O-CB 3.48Å; A30-A34 PolarHBondContact O-N 2.62Å |
| 31 | V | 92.4 | Very high | 93.1 | Very high | 79 Ų | 79 | 33.2 Ų | 33.2 | 48% | 0.479 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -70.2 | -41.1 | 175 | -178 | 0 | 0 | 0 | 0 | 111.5 | T29 L33 A34 N35 | T29-V31 PolarHBondContact O-N 3.26Å; T29-V31 VanDerWaalsContact O-N 3.13Å; T29-V31 PolarHBondContact OG1-N 3.23Å; V31-L33 VanDerWaalsContact C-N 3.34Å; V31-A34 PolarHBondContact O-N 3.05Å; V31-N35 WeakPolarHBondContact O-CB 3.17Å; V31-N35 VanDerWaalsContact O-CG 3.26Å; V31-N35 PolarHBondContact O-N 3.31Å; V31-N35 PolarHBondContact O-ND2 3.12Å |
| 32 | D | 93.5 | Very high | 92.8 | Very high | 16 Ų | 16 | 37.6 Ų | 37.6 | 9% | 0.086 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.1 | -46 | 173.8 | -66.2 | -12.8 | 0 | 0 | 0 | 110.8 | F28 T29 N35 I36 R291 | F28-D32 HydrophobicContact CD1-CB 4.04Å; T29-D32 PolarHBondContact N-OD2 3.47Å; T29-D32 WeakPolarHBondContact O-CB 3.48Å; T29-D32 PolarHBondContact O-N 3.1Å; T29-D32 PolarHBondContact OG1-N 3.14Å; T29-D32 VanDerWaalsContact OG1-N 3.1Å; T29-D32 PolarHBondContact OG1-OD1 2.86Å; D32-N35 PolarHBondContact O-N 3.21Å; D32-I36 WeakPolarHBondContact O-CG1 3.35Å; D32-I36 PolarHBondContact O-N 3.21Å; D32-R291 IonicContact OD2-CZ 3.76Å; D32-R291 IonicContact OD2-NE 3.9Å; D32-R291 PolarHBondContact OD2-NE 3.03Å; D32-R291 IonicContact OD2-NH2 2.95Å; D32-R291 PolarHBondContact OD2-NH2 2.75Å; D32-R291 VanDerWaalsContact OD2-NH2 3.08Å |
| 33 | L | 93.7 | Very high | 92.4 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68.3 | -39.3 | -179.6 | -61.6 | -175.6 | 0 | 0 | 0 | 112.4 | A15 Q16 L19 F28 T29 V31 N35 I36 A37 F67 V71 A75 | A15-L33 HydrophobicContact CB-CD1 4.17Å; Q16-L33 HydrophobicContact CB-CD1 4.02Å; L19-L33 HydrophobicContact CD1-CD1 4.32Å; L19-L33 HydrophobicContact CD1-CD2 3.65Å; F28-L33 HydrophobicContact CB-CD2 4.16Å; F28-L33 HydrophobicContact CB-CG 4.32Å; F28-L33 HydrophobicContact CD1-CD2 3.64Å; F28-L33 HydrophobicContact CD1-CG 4.48Å; F28-L33 HydrophobicContact CE1-CD2 4.4Å; F28-L33 HydrophobicContact CG-CD2 4.05Å; T29-L33 PolarHBondContact O-N 3.12Å; V31-L33 VanDerWaalsContact C-N 3.34Å; L33-N35 VanDerWaalsContact C-N 3.32Å; L33-N35 PolarHBondContact O-N 3.47Å; L33-I36 HydrophobicContact CD2-CD1 4.46Å; L33-I36 PolarHBondContact O-N 3.04Å; L33-A37 WeakPolarHBondContact O-CB 3.45Å; L33-A37 PolarHBondContact O-N 3.08Å; L33-F67 HydrophobicContact CB-CD1 3.97Å; L33-F67 HydrophobicContact CB-CD2 4.46Å; L33-F67 HydrophobicContact CB-CE1 3.55Å; L33-F67 HydrophobicContact CB-CE2 4.09Å; L33-F67 HydrophobicContact CB-CG 4.4Å; L33-F67 HydrophobicContact CB-CZ 3.61Å; L33-F67 HydrophobicContact CD1-CD2 4.17Å; L33-F67 HydrophobicContact CD1-CE2 4.12Å; L33-F67 HydrophobicContact CD1-CZ 4.48Å; L33-V71 HydrophobicContact CB-CG1 4.25Å; L33-V71 HydrophobicContact CD2-CG1 4.25Å; L33-A75 HydrophobicContact CD2-CB 4.13Å |
| 34 | A | 92.8 | Very high | 92 | Very high | 29 Ų | 29 | 41.5 Ų | 41.5 | 24% | 0.24 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.9 | -38 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A30 V31 K38 M61 | A30-A34 VanDerWaalsContact O-CB 3.25Å; A30-A34 WeakPolarHBondContact O-CB 3.48Å; A30-A34 PolarHBondContact O-N 2.62Å; V31-A34 PolarHBondContact O-N 3.05Å; A34-K38 WeakPolarHBondContact O-CB 3.36Å; A34-K38 PolarHBondContact O-N 3.38Å; A34-M61 HydrophobicContact CB-CE 4.46Å; A34-M61 HydrophobicContact CB-SD 3.56Å; A34-M61 VanDerWaalsContact CB-SD 3.56Å |
| 35 | N | 93.6 | Very high | 91.5 | Very high | 85 Ų | 85 | 44.3 Ų | 44.3 | 46% | 0.455 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -65 | -43.8 | 173.1 | -72.1 | -41.5 | 0 | 0 | 0 | 111.5 | V31 D32 L33 K38 Q39 | V31-N35 WeakPolarHBondContact O-CB 3.17Å; V31-N35 VanDerWaalsContact O-CG 3.26Å; V31-N35 PolarHBondContact O-N 3.31Å; V31-N35 PolarHBondContact O-ND2 3.12Å; D32-N35 PolarHBondContact O-N 3.21Å; L33-N35 VanDerWaalsContact C-N 3.32Å; L33-N35 PolarHBondContact O-N 3.47Å; N35-K38 PolarHBondContact O-N 3.18Å; N35-Q39 WeakPolarHBondContact O-CG 3.43Å; N35-Q39 PolarHBondContact O-N 2.99Å |
| 36 | I | 93.9 | Very high | 91.1 | Very high | 7 Ų | 7 | 48.8 Ų | 48.8 | 4% | 0.036 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.8 | -44.9 | 176.5 | -69.3 | 166.7 | 0 | 0 | 0 | 111.1 | F28 D32 L33 Q39 L40 V71 Q74 A75 I78 | F28-I36 HydrophobicContact CD1-CD1 4.4Å; F28-I36 HydrophobicContact CE1-CD1 3.92Å; D32-I36 WeakPolarHBondContact O-CG1 3.35Å; D32-I36 PolarHBondContact O-N 3.21Å; L33-I36 HydrophobicContact CD2-CD1 4.46Å; L33-I36 PolarHBondContact O-N 3.04Å; I36-Q39 PolarHBondContact O-N 3.17Å; I36-L40 HydrophobicContact CG2-CD1 4.32Å; I36-L40 WeakPolarHBondContact O-CG 3.43Å; I36-L40 PolarHBondContact O-N 2.93Å; I36-L40 VanDerWaalsContact O-N 3.08Å; I36-V71 HydrophobicContact CB-CG1 4.21Å; I36-V71 HydrophobicContact CG2-CG1 3.88Å; I36-Q74 HydrophobicContact CG2-CB 3.82Å; I36-Q74 HydrophobicContact CG2-CG 3.75Å; I36-A75 HydrophobicContact CD1-CB 4.08Å; I36-I78 HydrophobicContact CD1-CD1 3.96Å |
| 37 | A | 93.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.1 | -51.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L33 Q39 L40 D41 N60 M61 F67 V71 | L33-A37 WeakPolarHBondContact O-CB 3.45Å; L33-A37 PolarHBondContact O-N 3.08Å; A37-Q39 VanDerWaalsContact C-N 3.26Å; A37-Q39 PolarHBondContact O-N 3.08Å; A37-L40 WeakPolarHBondContact O-CB 3.46Å; A37-L40 PolarHBondContact O-N 2.95Å; A37-D41 VanDerWaalsContact O-CG 3.22Å; A37-D41 PolarHBondContact O-N 3.24Å; A37-N60 HydrophobicContact CB-CB 3.91Å; A37-M61 HydrophobicContact CB-CB 3.76Å; A37-F67 HydrophobicContact CB-CD1 4.36Å; A37-V71 HydrophobicContact CB-CG2 3.72Å |
| 38 | K | 91.8 | Very high | 89.8 | Confident | 124 Ų | 124 | 52.9 Ų | 52.9 | 54% | 0.539 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -57.3 | -38.3 | 176.8 | -177.2 | -176.9 | 173.9 | -171.4 | 0 | 112.6 | A34 N35 D41 D42 | A34-K38 WeakPolarHBondContact O-CB 3.36Å; A34-K38 PolarHBondContact O-N 3.38Å; N35-K38 PolarHBondContact O-N 3.18Å; K38-D41 PolarHBondContact O-N 3.25Å; K38-D42 WeakPolarHBondContact CE-OD2 3.4Å; K38-D42 WeakPolarHBondContact O-CB 3.47Å; K38-D42 PolarHBondContact O-N 3.05Å |
| 39 | Q | 92 | Very high | 88.4 | Confident | 60 Ų | 60 | 54.4 Ų | 54.4 | 28% | 0.28 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -66.4 | -38 | 177.2 | -74.7 | -170.4 | -50.8 | 0 | 0 | 112.7 | N35 I36 A37 D42 E43 | N35-Q39 WeakPolarHBondContact O-CG 3.43Å; N35-Q39 PolarHBondContact O-N 2.99Å; I36-Q39 PolarHBondContact O-N 3.17Å; A37-Q39 VanDerWaalsContact C-N 3.26Å; A37-Q39 PolarHBondContact O-N 3.08Å; Q39-D42 PolarHBondContact O-N 3.31Å; Q39-E43 VanDerWaalsContact O-CB 3.32Å; Q39-E43 WeakPolarHBondContact O-CB 3.37Å; Q39-E43 VanDerWaalsContact O-CG 3.28Å; Q39-E43 WeakPolarHBondContact O-CG 3.36Å; Q39-E43 PolarHBondContact O-N 3.45Å |
| 40 | L | 91.9 | Very high | 86.8 | Confident | 17 Ų | 17 | 58.1 Ų | 58.1 | 9% | 0.089 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.8 | -43.1 | 172.7 | -66.1 | 167.3 | 0 | 0 | 0 | 110.7 | I36 A37 D42 E43 E44 Q70 V71 Q74 | I36-L40 HydrophobicContact CG2-CD1 4.32Å; I36-L40 WeakPolarHBondContact O-CG 3.43Å; I36-L40 PolarHBondContact O-N 2.93Å; I36-L40 VanDerWaalsContact O-N 3.08Å; A37-L40 WeakPolarHBondContact O-CB 3.46Å; A37-L40 PolarHBondContact O-N 2.95Å; L40-D42 PolarHBondContact O-N 3.3Å; L40-E43 PolarHBondContact O-N 3.32Å; L40-E44 WeakPolarHBondContact O-CB 3.45Å; L40-E44 VanDerWaalsContact O-CG 3.32Å; L40-E44 WeakPolarHBondContact O-CG 3.27Å; L40-E44 PolarHBondContact O-N 3.33Å; L40-Q70 HydrophobicContact CD1-CB 3.92Å; L40-V71 HydrophobicContact CD1-CG2 4.14Å; L40-Q74 HydrophobicContact CD1-CB 4.32Å; L40-Q74 HydrophobicContact CD2-CG 4.44Å |
| 41 | D | 90.2 | Very high | 85.1 | Confident | 35 Ų | 35 | 60.9 Ų | 60.9 | 19% | 0.187 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.3 | -46.2 | 175.2 | -53.8 | -28.6 | 0 | 0 | 0 | 111.3 | A37 K38 E44 V45 F58 N60 | A37-D41 VanDerWaalsContact O-CG 3.22Å; A37-D41 PolarHBondContact O-N 3.24Å; K38-D41 PolarHBondContact O-N 3.25Å; D41-E44 PolarHBondContact O-N 3.1Å; D41-V45 WeakPolarHBondContact O-CB 3.45Å; D41-V45 VanDerWaalsContact O-CG2 3.26Å; D41-V45 WeakPolarHBondContact O-CG2 3.46Å; D41-V45 PolarHBondContact O-N 3.3Å; D41-F58 VanDerWaalsContact OD1-O 3.08Å; D41-N60 VanDerWaalsContact OD1-CB 3.23Å; D41-N60 WeakPolarHBondContact OD1-CB 3.46Å; D41-N60 PolarHBondContact OD1-N 2.86Å; D41-N60 PolarHBondContact OD1-ND2 3.21Å |
| 42 | D | 88.7 | Confident | 83.1 | Confident | 95 Ų | 95 | 68.6 Ų | 68.6 | 51% | 0.508 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.7 | -38.3 | 176.6 | -76.4 | -29.5 | 0 | 0 | 0 | 111.6 | K38 Q39 L40 S46 | K38-D42 WeakPolarHBondContact CE-OD2 3.4Å; K38-D42 WeakPolarHBondContact O-CB 3.47Å; K38-D42 PolarHBondContact O-N 3.05Å; Q39-D42 PolarHBondContact O-N 3.31Å; L40-D42 PolarHBondContact O-N 3.3Å; D42-S46 VanDerWaalsContact O-CB 3.3Å; D42-S46 WeakPolarHBondContact O-CB 3.35Å; D42-S46 PolarHBondContact O-N 3.41Å |
| 43 | E | 87.7 | Confident | 81.2 | Confident | 50 Ų | 50 | 71.1 Ų | 71.1 | 23% | 0.234 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -68.8 | -41.1 | 175.4 | -79.5 | 178 | -166 | 0 | 0 | 112.6 | Q39 L40 S46 Q47 | Q39-E43 VanDerWaalsContact O-CB 3.32Å; Q39-E43 WeakPolarHBondContact O-CB 3.37Å; Q39-E43 VanDerWaalsContact O-CG 3.28Å; Q39-E43 WeakPolarHBondContact O-CG 3.36Å; Q39-E43 PolarHBondContact O-N 3.45Å; L40-E43 PolarHBondContact O-N 3.32Å; E43-S46 PolarHBondContact O-N 3.26Å; E43-Q47 WeakPolarHBondContact O-CG 3.41Å; E43-Q47 PolarHBondContact O-N 3.46Å; E43-Q47 PolarHBondContact O-NE2 3.27Å; E43-Q47 VanDerWaalsContact O-NE2 3.15Å |
| 44 | E | 85.9 | Confident | 79.3 | Confident | 34 Ų | 34 | 74.4 Ų | 74.4 | 16% | 0.159 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -66.6 | -46.2 | 176.6 | -74.5 | 176 | 173.5 | 0 | 0 | 110.7 | L40 D41 S46 Q47 L48 F58 N60 Q70 | L40-E44 WeakPolarHBondContact O-CB 3.45Å; L40-E44 VanDerWaalsContact O-CG 3.32Å; L40-E44 WeakPolarHBondContact O-CG 3.27Å; L40-E44 PolarHBondContact O-N 3.33Å; D41-E44 PolarHBondContact O-N 3.1Å; E44-S46 VanDerWaalsContact C-N 3.29Å; E44-S46 PolarHBondContact O-N 3.14Å; E44-Q47 PolarHBondContact O-N 3.33Å; E44-Q47 VanDerWaalsContact O-N 3.16Å; E44-L48 VanDerWaalsContact O-CD1 3.22Å; E44-L48 WeakPolarHBondContact O-CD1 3.5Å; E44-L48 PolarHBondContact O-N 2.98Å; E44-F58 HydrophobicContact CB-CD1 4.24Å; E44-F58 HydrophobicContact CB-CG 4.33Å; E44-F58 WeakPolarHBondContact OE2-CB 3.48Å; E44-F58 VanDerWaalsContact OE2-CD1 3.25Å; E44-F58 WeakPolarHBondContact OE2-CD1 3.38Å; E44-N60 PolarHBondContact OE2-ND2 2.89Å; E44-Q70 PolarHBondContact OE1-NE2 2.92Å |
| 45 | V | 83.5 | Confident | 77.4 | Confident | 74 Ų | 74 | 77.9 Ų | 77.9 | 45% | 0.448 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -60 | -38.4 | 174.1 | 169.6 | 0 | 0 | 0 | 0 | 111.9 | D41 G49 | D41-V45 WeakPolarHBondContact O-CB 3.45Å; D41-V45 VanDerWaalsContact O-CG2 3.26Å; D41-V45 WeakPolarHBondContact O-CG2 3.46Å; D41-V45 PolarHBondContact O-N 3.3Å; V45-G49 CarbonylContact O-C 3.57Å; V45-G49 WeakPolarHBondContact O-CA 3.35Å; V45-G49 PolarHBondContact O-N 3.14Å; V45-G49 VanDerWaalsContact O-N 3.08Å |
| 46 | S | 84.7 | Confident | 75.5 | Confident | 100 Ų | 100 | 79.9 Ų | 79.9 | 70% | 0.699 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -66.4 | -37.2 | 176.2 | -170.1 | 0 | 0 | 0 | 0 | 112.6 | D42 E43 E44 | D42-S46 VanDerWaalsContact O-CB 3.3Å; D42-S46 WeakPolarHBondContact O-CB 3.35Å; D42-S46 PolarHBondContact O-N 3.41Å; E43-S46 PolarHBondContact O-N 3.26Å; E44-S46 VanDerWaalsContact C-N 3.29Å; E44-S46 PolarHBondContact O-N 3.14Å |
| 47 | Q | 83.3 | Confident | 73.6 | Confident | 152 Ų | 152 | 84.4 Ų | 84.4 | 71% | 0.71 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -76.1 | -41.7 | -179.5 | -75.9 | 173.6 | 78.3 | 0 | 0 | 113.7 | E43 E44 G49 | E43-Q47 WeakPolarHBondContact O-CG 3.41Å; E43-Q47 PolarHBondContact O-N 3.46Å; E43-Q47 PolarHBondContact O-NE2 3.27Å; E43-Q47 VanDerWaalsContact O-NE2 3.15Å; E44-Q47 PolarHBondContact O-N 3.33Å; E44-Q47 VanDerWaalsContact O-N 3.16Å; Q47-G49 PolarHBondContact O-N 3.33Å |
| 48 | L | 75.9 | Confident | 72.2 | Confident | 94 Ų | 94 | 87.1 Ų | 87.1 | 49% | 0.492 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -75.5 | -13.6 | 174 | -78 | 103.3 | 0 | 0 | 0 | 113 | E44 F58 | E44-L48 VanDerWaalsContact O-CD1 3.22Å; E44-L48 WeakPolarHBondContact O-CD1 3.5Å; E44-L48 PolarHBondContact O-N 2.98Å; L48-F58 HydrophobicContact CD1-CE1 4.04Å; L48-F58 HydrophobicContact CD1-CE2 4.1Å; L48-F58 HydrophobicContact CD1-CZ 3.6Å; L48-F58 HydrophobicContact CD2-CE2 4.18Å; L48-F58 HydrophobicContact CD2-CZ 3.69Å; L48-F58 HydrophobicContact CG-CZ 4.26Å |
| 49 | G | 63.9 | Low | 71.5 | Confident | 34 Ų | 34 | 86.1 Ų | 86.1 | 35% | 0.351 | 49% | 0.49 | S | S | . | . | trans | 68 | -179.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | V45 Q47 S51 | V45-G49 CarbonylContact O-C 3.57Å; V45-G49 WeakPolarHBondContact O-CA 3.35Å; V45-G49 PolarHBondContact O-N 3.14Å; V45-G49 VanDerWaalsContact O-N 3.08Å; Q47-G49 PolarHBondContact O-N 3.33Å; G49-S51 PolarHBondContact O-N 3.41Å | ||
| 50 | S | 57.9 | Low | 71.2 | Confident | 106 Ų | 106 | 83.5 Ų | 83.5 | 74% | 0.741 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -71.1 | 43.5 | -178.9 | -62.7 | 0 | 0 | 0 | 0 | 114.3 | R52 | S50-R52 WeakPolarHBondContact O-CG 3.27Å; S50-R52 PolarHBondContact O-N 3.46Å |
| 51 | S | 56.3 | Low | 70.9 | Confident | 87 Ų | 87 | 85.8 Ų | 85.8 | 61% | 0.608 | 49% | 0.489 | S | S | * | . | trans | -70.9 | 78.3 | 168.9 | -157.5 | 0 | 0 | 0 | 0 | 109.3 | G49 G53 | G49-S51 PolarHBondContact O-N 3.41Å; S51-G53 PolarHBondContact O-N 3.15Å | ||
| 52 | R | 50.5 | Low | 70.5 | Confident | 240 Ų | 240 | 86.7 Ų | 86.7 | 91% | 0.906 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | 92.1 | -171.7 | -76.4 | 159.7 | 156.2 | -145.5 | -7.2 | 111.9 | S50 | S50-R52 WeakPolarHBondContact O-CG 3.27Å; S50-R52 PolarHBondContact O-N 3.46Å |
| 53 | G | 53.4 | Low | 69.9 | Low | 69 Ų | 69 | 91.4 Ų | 91.4 | 71% | 0.711 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 179.3 | -12.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | S51 | S51-G53 PolarHBondContact O-N 3.15Š|
| 54 | I | 54.4 | Low | 69.6 | Low | 71 Ų | 71 | 92.7 Ų | 92.7 | 36% | 0.364 | 53% | 0.528 | S | S | . | . | trans | -112.9 | 18.1 | -170.5 | -46.3 | 179.7 | 0 | 0 | 0 | 111.5 | N56 C57 F58 | I54-N56 PolarHBondContact O-N 3.04Å; I54-C57 HydrophobicContact CG2-CB 3.62Å; I54-C57 PolarHBondContact O-N 2.89Å; I54-C57 VanDerWaalsContact O-N 3.09Å; I54-F58 HydrophobicContact CB-CE2 3.97Å; I54-F58 HydrophobicContact CG2-CD2 4.08Å; I54-F58 HydrophobicContact CG2-CE2 3.43Å; I54-F58 VanDerWaalsContact CG2-CE2 3.43Å; I54-F58 HydrophobicContact CG2-CZ 3.9Å | ||
| 55 | S | 51.9 | Low | 69.5 | Low | 101 Ų | 101 | 91.4 Ų | 91.4 | 71% | 0.706 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -10.4 | -174.4 | 53.4 | 0 | 0 | 0 | 0 | 115.8 | ||
| 56 | N | 54 | Low | 69.7 | Low | 127 Ų | 127 | 91 Ų | 91 | 68% | 0.679 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.7 | 1.5 | -178.4 | -65.4 | 42.2 | 0 | 0 | 0 | 113.2 | I54 | I54-N56 PolarHBondContact O-N 3.04Š|
| 57 | C | 54.8 | Low | 70 | Confident | 102 Ų | 102 | 86.2 Ų | 86.2 | 69% | 0.689 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | -22.2 | 178.4 | -55.8 | 0 | 0 | 0 | 0 | 113.2 | I54 Q59 | I54-C57 HydrophobicContact CG2-CB 3.62Å; I54-C57 PolarHBondContact O-N 2.89Å; I54-C57 VanDerWaalsContact O-N 3.09Å; C57-Q59 PolarHBondContact O-N 3.2Å |
| 58 | F | 63.5 | Low | 70.4 | Confident | 57 Ų | 57 | 80 Ų | 80 | 25% | 0.25 | 45% | 0.454 | C | S | . | . | trans | -96 | 66.9 | 174.9 | -54.9 | -62.7 | 0 | 0 | 0 | 108.9 | D41 E44 L48 I54 | D41-F58 VanDerWaalsContact OD1-O 3.08Å; E44-F58 HydrophobicContact CB-CD1 4.24Å; E44-F58 HydrophobicContact CB-CG 4.33Å; E44-F58 WeakPolarHBondContact OE2-CB 3.48Å; E44-F58 VanDerWaalsContact OE2-CD1 3.25Å; E44-F58 WeakPolarHBondContact OE2-CD1 3.38Å; L48-F58 HydrophobicContact CD1-CE1 4.04Å; L48-F58 HydrophobicContact CD1-CE2 4.1Å; L48-F58 HydrophobicContact CD1-CZ 3.6Å; L48-F58 HydrophobicContact CD2-CE2 4.18Å; L48-F58 HydrophobicContact CD2-CZ 3.69Å; L48-F58 HydrophobicContact CG-CZ 4.26Å; I54-F58 HydrophobicContact CB-CE2 3.97Å; I54-F58 HydrophobicContact CG2-CD2 4.08Å; I54-F58 HydrophobicContact CG2-CE2 3.43Å; I54-F58 VanDerWaalsContact CG2-CE2 3.43Å; I54-F58 HydrophobicContact CG2-CZ 3.9Å | ||
| 59 | Q | 77.9 | Confident | 71.3 | Confident | 104 Ų | 104 | 78 Ų | 78 | 49% | 0.486 | 45% | 0.446 | S | S | . | . | trans | -114.4 | 88.4 | -179.4 | -176.8 | 162.4 | 7.6 | 0 | 0 | 109 | C57 M61 | C57-Q59 PolarHBondContact O-N 3.2Å; Q59-M61 WeakPolarHBondContact CG-O 3.21Å; Q59-M61 PolarHBondContact NE2-O 3.36Å; Q59-M61 PolarHBondContact O-N 3.01Å | ||
| 60 | N | 84.7 | Confident | 72.7 | Confident | 4 Ų | 4 | 80.6 Ų | 80.6 | 2% | 0.021 | 45% | 0.449 | C | S | . | . | S | Bend | trans | -72.5 | -9.4 | -180 | -78.6 | -77.5 | 0 | 0 | 0 | 114 | A37 D41 E44 S68 Q70 V71 | A37-N60 HydrophobicContact CB-CB 3.91Å; D41-N60 VanDerWaalsContact OD1-CB 3.23Å; D41-N60 WeakPolarHBondContact OD1-CB 3.46Å; D41-N60 PolarHBondContact OD1-N 2.86Å; D41-N60 PolarHBondContact OD1-ND2 3.21Å; E44-N60 PolarHBondContact OE2-ND2 2.89Å; N60-S68 PolarHBondContact O-N 3.34Å; N60-S68 WeakPolarHBondContact OD1-CB 3.38Å; N60-S68 PolarHBondContact OD1-OG 3.05Å; N60-Q70 PolarHBondContact OD1-OE1 2.87Å; N60-V71 HydrophobicContact CB-CG2 3.83Å; N60-V71 WeakPolarHBondContact O-CG2 3.36Å |
| 61 | M | 85.2 | Confident | 74.4 | Confident | 66 Ų | 66 | 75.5 Ų | 75.5 | 33% | 0.325 | 41% | 0.413 | S | S | . | . | B | Isolated β-bridge | trans | -137.2 | 122.8 | 172.7 | 175.1 | -172.5 | 171.2 | 0 | 0 | 110.3 | A34 A37 Q59 Y66 F67 | A34-M61 HydrophobicContact CB-CE 4.46Å; A34-M61 HydrophobicContact CB-SD 3.56Å; A34-M61 VanDerWaalsContact CB-SD 3.56Å; A37-M61 HydrophobicContact CB-CB 3.76Å; Q59-M61 WeakPolarHBondContact CG-O 3.21Å; Q59-M61 PolarHBondContact NE2-O 3.36Å; Q59-M61 PolarHBondContact O-N 3.01Å; M61-Y66 WeakPolarHBondContact CA-O 3.32Å; M61-F67 HydrophobicContact CB-CD1 3.95Å; M61-F67 HydrophobicContact CB-CE1 3.91Å; M61-F67 HydrophobicContact CE-CZ 4.29Å; M61-F67 HydrophobicContact CG-CD1 4.02Å; M61-F67 HydrophobicContact CG-CE1 3.6Å; M61-F67 HydrophobicContact CG-CZ 4.15Å; M61-F67 HydrophobicContact SD-CE1 3.66Å; M61-F67 HydrophobicContact SD-CZ 4Å |
| 62 | D | 82.2 | Confident | 76.3 | Confident | 54 Ų | 54 | 71.4 Ų | 71.4 | 29% | 0.289 | 39% | 0.385 | S | S | . | . | trans | -82.2 | 170.7 | 176.7 | 92.8 | -27.3 | 0 | 0 | 0 | 112.9 | S64 G65 Y66 | D62-S64 VanDerWaalsContact CG-N 3.33Å; D62-S64 PolarHBondContact O-N 2.89Å; D62-S64 WeakPolarHBondContact OD1-CA 3.28Å; D62-S64 VanDerWaalsContact OD1-CB 3.26Å; D62-S64 WeakPolarHBondContact OD1-CB 3.28Å; D62-S64 PolarHBondContact OD1-N 3.26Å; D62-S64 WeakPolarHBondContact OD2-CB 3.32Å; D62-S64 PolarHBondContact OD2-OG 3.18Å; D62-G65 PolarHBondContact O-N 3.44Å; D62-G65 PolarHBondContact OD1-N 3.46Å; D62-Y66 PolarHBondContact N-O 3.2Å; D62-Y66 WeakPolarHBondContact OD1-CB 3.45Å; D62-Y66 PolarHBondContact OD1-N 2.98Å | ||
| 63 | E | 77 | Confident | 78.4 | Confident | 193 Ų | 193 | 62 Ų | 62 | 90% | 0.902 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -17.6 | 177.1 | -63.2 | -173.4 | 170.7 | 0 | 0 | 113.2 | ||
| 64 | S | 81.5 | Confident | 80.4 | Confident | 78 Ų | 78 | 59.6 Ų | 59.6 | 55% | 0.545 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -18.6 | 179.1 | -35.8 | 0 | 0 | 0 | 0 | 113.3 | S12 D62 | S12-S64 VanDerWaalsContact CB-O 3.3Å; S12-S64 WeakPolarHBondContact CB-O 3.46Å; S12-S64 PolarHBondContact OG-O 2.81Å; D62-S64 VanDerWaalsContact CG-N 3.33Å; D62-S64 PolarHBondContact O-N 2.89Å; D62-S64 WeakPolarHBondContact OD1-CA 3.28Å; D62-S64 VanDerWaalsContact OD1-CB 3.26Å; D62-S64 WeakPolarHBondContact OD1-CB 3.28Å; D62-S64 PolarHBondContact OD1-N 3.26Å; D62-S64 WeakPolarHBondContact OD2-CB 3.32Å; D62-S64 PolarHBondContact OD2-OG 3.18Å |
| 65 | G | 83.6 | Confident | 82.4 | Confident | 7 Ų | 7 | 56.2 Ų | 56.2 | 7% | 0.072 | 31% | 0.309 | C | S | . | . | S | Bend | trans | 95.6 | 12.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115 | D62 F67 | D62-G65 PolarHBondContact O-N 3.44Å; D62-G65 PolarHBondContact OD1-N 3.46Å; G65-F67 VanDerWaalsContact O-CD2 3.28Å; G65-F67 WeakPolarHBondContact O-CD2 3.33Å; G65-F67 VanDerWaalsContact O-CE2 3.28Å; G65-F67 WeakPolarHBondContact O-CE2 3.3Å |
| 66 | Y | 87.6 | Confident | 84.5 | Confident | 65 Ų | 65 | 51.4 Ų | 51.4 | 26% | 0.255 | 28% | 0.275 | S | S | . | . | trans | -77.6 | 139.7 | 169 | 179.3 | -89.7 | 0 | 0 | 0 | 110.3 | M61 D62 H109 H112 W114 | M61-Y66 WeakPolarHBondContact CA-O 3.32Å; D62-Y66 PolarHBondContact N-O 3.2Å; D62-Y66 WeakPolarHBondContact OD1-CB 3.45Å; D62-Y66 PolarHBondContact OD1-N 2.98Å; Y66-H109 AromaticContact CE2-NE2 3.69Å; Y66-H109 AromaticContact CZ-NE2 3.87Å; Y66-H109 PolarHBondContact OH-CE1 3.13Å; Y66-H109 PolarHBondContact OH-NE2 2.83Å; Y66-H109 VanDerWaalsContact OH-NE2 3.15Å; Y66-H112 HydrophobicContact CE2-CB 4.4Å; Y66-H112 WeakPolarHBondContact CE2-O 3.16Å; Y66-W114 AromaticContact CE2-CD1 3.97Å; Y66-W114 AromaticContact CE2-NE1 3.51Å; Y66-W114 AromaticContact CZ-NE1 3.65Å | ||
| 67 | F | 91.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | B | Isolated β-bridge | trans | -117.5 | 144.3 | -178.4 | -66.3 | -84.5 | 0 | 0 | 0 | 111.3 | L13 A15 L33 A37 M61 G65 V71 | L13-F67 HydrophobicContact CD2-CE2 4.16Å; A15-F67 HydrophobicContact CB-CB 3.89Å; A15-F67 HydrophobicContact CB-CD2 3.88Å; A15-F67 HydrophobicContact CB-CG 4.25Å; L33-F67 HydrophobicContact CB-CD1 3.97Å; L33-F67 HydrophobicContact CB-CD2 4.46Å; L33-F67 HydrophobicContact CB-CE1 3.55Å; L33-F67 HydrophobicContact CB-CE2 4.09Å; L33-F67 HydrophobicContact CB-CG 4.4Å; L33-F67 HydrophobicContact CB-CZ 3.61Å; L33-F67 HydrophobicContact CD1-CD2 4.17Å; L33-F67 HydrophobicContact CD1-CE2 4.12Å; L33-F67 HydrophobicContact CD1-CZ 4.48Å; A37-F67 HydrophobicContact CB-CD1 4.36Å; M61-F67 HydrophobicContact CB-CD1 3.95Å; M61-F67 HydrophobicContact CB-CE1 3.91Å; M61-F67 HydrophobicContact CE-CZ 4.29Å; M61-F67 HydrophobicContact CG-CD1 4.02Å; M61-F67 HydrophobicContact CG-CE1 3.6Å; M61-F67 HydrophobicContact CG-CZ 4.15Å; M61-F67 HydrophobicContact SD-CE1 3.66Å; M61-F67 HydrophobicContact SD-CZ 4Å; G65-F67 VanDerWaalsContact O-CD2 3.28Å; G65-F67 WeakPolarHBondContact O-CD2 3.33Å; G65-F67 VanDerWaalsContact O-CE2 3.28Å; G65-F67 WeakPolarHBondContact O-CE2 3.3Å; F67-V71 HydrophobicContact CB-CB 4.21Å; F67-V71 HydrophobicContact CB-CG1 4.33Å; F67-V71 HydrophobicContact CB-CG2 4.34Å; F67-V71 HydrophobicContact CD1-CG1 4Å; F67-V71 HydrophobicContact CD1-CG2 4.34Å; F67-V71 HydrophobicContact CG-CG1 4.45Å |
| 68 | S | 91.8 | Very high | 88.2 | Confident | 20 Ų | 20 | 46.1 Ų | 46.1 | 14% | 0.14 | 24% | 0.236 | C | C | . | . | trans | -69.3 | 159.6 | 176.8 | 90.1 | 0 | 0 | 0 | 0 | 112.3 | N60 Q70 V71 I72 | N60-S68 PolarHBondContact O-N 3.34Å; N60-S68 WeakPolarHBondContact OD1-CB 3.38Å; N60-S68 PolarHBondContact OD1-OG 3.05Å; S68-Q70 PolarHBondContact O-N 2.92Å; S68-Q70 WeakPolarHBondContact OG-CB 3.2Å; S68-Q70 PolarHBondContact OG-N 3.06Å; S68-Q70 VanDerWaalsContact OG-N 3.16Å; S68-V71 WeakPolarHBondContact O-CB 3.4Å; S68-V71 PolarHBondContact O-N 3.46Å; S68-V71 VanDerWaalsContact O-N 3.11Å; S68-V71 PolarHBondContact OG-N 2.83Å; S68-I72 PolarHBondContact O-N 3.24Å | ||
| 69 | V | 93.2 | Very high | 89.7 | Confident | 53 Ų | 53 | 47 Ų | 47 | 32% | 0.321 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60.5 | -25.7 | 172.7 | 67.9 | 0 | 0 | 0 | 0 | 112.6 | I72 S73 L83 W114 F157 | V69-I72 PolarHBondContact O-N 3.38Å; V69-S73 WeakPolarHBondContact O-CB 3.34Å; V69-S73 PolarHBondContact O-N 3.32Å; V69-L83 HydrophobicContact CG2-CD2 3.82Å; V69-W114 HydrophobicContact CB-CH2 3.79Å; V69-W114 HydrophobicContact CB-CZ2 4.06Å; V69-W114 HydrophobicContact CG2-CH2 3.76Å; V69-W114 HydrophobicContact CG2-CZ3 4.47Å; V69-F157 HydrophobicContact CG2-CE1 3.91Å; V69-F157 HydrophobicContact CG2-CE2 4.27Å; V69-F157 HydrophobicContact CG2-CZ 3.69Å |
| 70 | Q | 93.1 | Very high | 90.4 | Very high | 88 Ų | 88 | 47.1 Ų | 47.1 | 41% | 0.411 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -68.2 | -38.2 | 176.7 | -62.4 | 156.3 | -93.9 | 0 | 0 | 110.8 | L40 E44 N60 S68 S73 Q74 | L40-Q70 HydrophobicContact CD1-CB 3.92Å; E44-Q70 PolarHBondContact OE1-NE2 2.92Å; N60-Q70 PolarHBondContact OD1-OE1 2.87Å; S68-Q70 PolarHBondContact O-N 2.92Å; S68-Q70 WeakPolarHBondContact OG-CB 3.2Å; S68-Q70 PolarHBondContact OG-N 3.06Å; S68-Q70 VanDerWaalsContact OG-N 3.16Å; Q70-S73 PolarHBondContact O-N 3.1Å; Q70-Q74 WeakPolarHBondContact O-CB 3.34Å; Q70-Q74 PolarHBondContact O-N 3.32Å |
| 71 | V | 95 | Very high | 90.9 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.5 | -47.1 | 173.4 | -174.1 | 0 | 0 | 0 | 0 | 110.5 | L33 I36 A37 L40 N60 F67 S68 Q74 A75 | L33-V71 HydrophobicContact CB-CG1 4.25Å; L33-V71 HydrophobicContact CD2-CG1 4.25Å; I36-V71 HydrophobicContact CB-CG1 4.21Å; I36-V71 HydrophobicContact CG2-CG1 3.88Å; A37-V71 HydrophobicContact CB-CG2 3.72Å; L40-V71 HydrophobicContact CD1-CG2 4.14Å; N60-V71 HydrophobicContact CB-CG2 3.83Å; N60-V71 WeakPolarHBondContact O-CG2 3.36Å; F67-V71 HydrophobicContact CB-CB 4.21Å; F67-V71 HydrophobicContact CB-CG1 4.33Å; F67-V71 HydrophobicContact CB-CG2 4.34Å; F67-V71 HydrophobicContact CD1-CG1 4Å; F67-V71 HydrophobicContact CD1-CG2 4.34Å; F67-V71 HydrophobicContact CG-CG1 4.45Å; S68-V71 WeakPolarHBondContact O-CB 3.4Å; S68-V71 PolarHBondContact O-N 3.46Å; S68-V71 VanDerWaalsContact O-N 3.11Å; S68-V71 PolarHBondContact OG-N 2.83Å; V71-Q74 PolarHBondContact O-N 3Å; V71-A75 WeakPolarHBondContact O-CB 3.47Å; V71-A75 PolarHBondContact O-N 3.07Å |
| 72 | I | 95.4 | Very high | 91.4 | Very high | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.4 | -44.9 | 178.7 | -60.4 | 176.7 | 0 | 0 | 0 | 110.5 | A15 L19 S68 V69 A75 L76 L83 I107 W114 | A15-I72 HydrophobicContact CB-CD1 4.13Å; A15-I72 HydrophobicContact CB-CG1 4.18Å; L19-I72 HydrophobicContact CD2-CG2 4.04Å; S68-I72 PolarHBondContact O-N 3.24Å; V69-I72 PolarHBondContact O-N 3.38Å; I72-A75 PolarHBondContact O-N 3Å; I72-L76 HydrophobicContact CG2-CD1 4.04Å; I72-L76 VanDerWaalsContact O-CG 3.28Å; I72-L76 WeakPolarHBondContact O-CG 3.34Å; I72-L76 PolarHBondContact O-N 2.96Å; I72-L83 HydrophobicContact CB-CD2 4.45Å; I72-L83 HydrophobicContact CG2-CD2 4.03Å; I72-I107 HydrophobicContact CG2-CD1 3.92Å; I72-W114 HydrophobicContact CD1-CD2 3.35Å; I72-W114 HydrophobicContact CD1-CE3 3.62Å; I72-W114 HydrophobicContact CD1-CG 3.77Å; I72-W114 HydrophobicContact CD1-CH2 4.17Å; I72-W114 HydrophobicContact CD1-CZ2 3.94Å; I72-W114 HydrophobicContact CD1-CZ3 3.99Å |
| 73 | S | 95.7 | Very high | 92 | Very high | 42 Ų | 42 | 46.8 Ų | 46.8 | 29% | 0.294 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.4 | -47.5 | 177.4 | -171.5 | 0 | 0 | 0 | 0 | 112.4 | V69 Q70 A75 L76 Q77 | V69-S73 WeakPolarHBondContact O-CB 3.34Å; V69-S73 PolarHBondContact O-N 3.32Å; Q70-S73 PolarHBondContact O-N 3.1Å; S73-A75 PolarHBondContact O-N 3.08Å; S73-L76 PolarHBondContact O-N 3.3Å; S73-Q77 PolarHBondContact O-N 2.96Å |
| 74 | Q | 94.9 | Very high | 92.9 | Very high | 19 Ų | 19 | 37.7 Ų | 37.7 | 9% | 0.089 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65 | -39.4 | 177.1 | -172.4 | 80.4 | -28.2 | 0 | 0 | 111.6 | I36 L40 Q70 V71 L76 Q77 I78 R281 | I36-Q74 HydrophobicContact CG2-CB 3.82Å; I36-Q74 HydrophobicContact CG2-CG 3.75Å; L40-Q74 HydrophobicContact CD1-CB 4.32Å; L40-Q74 HydrophobicContact CD2-CG 4.44Å; Q70-Q74 WeakPolarHBondContact O-CB 3.34Å; Q70-Q74 PolarHBondContact O-N 3.32Å; V71-Q74 PolarHBondContact O-N 3Å; Q74-L76 VanDerWaalsContact C-N 3.35Å; Q74-L76 PolarHBondContact O-N 3.44Å; Q74-Q77 PolarHBondContact O-N 3.27Å; Q74-I78 WeakPolarHBondContact O-CD1 3.24Å; Q74-I78 PolarHBondContact O-N 2.9Å; Q74-R281 VanDerWaalsContact OE1-CZ 3.22Å |
| 75 | A | 95.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.6 | -41.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L19 F28 L33 I36 V71 I72 S73 I78 | L19-A75 HydrophobicContact CD1-CB 3.68Å; L19-A75 HydrophobicContact CD2-CB 4.41Å; F28-A75 HydrophobicContact CD1-CB 4.35Å; F28-A75 HydrophobicContact CE1-CB 3.76Å; F28-A75 HydrophobicContact CE2-CB 4.38Å; F28-A75 HydrophobicContact CZ-CB 3.8Å; F28-A75 VanDerWaalsContact CZ-O 3.27Å; F28-A75 WeakPolarHBondContact CZ-O 3.34Å; L33-A75 HydrophobicContact CD2-CB 4.13Å; I36-A75 HydrophobicContact CD1-CB 4.08Å; V71-A75 WeakPolarHBondContact O-CB 3.47Å; V71-A75 PolarHBondContact O-N 3.07Å; I72-A75 PolarHBondContact O-N 3Å; S73-A75 PolarHBondContact O-N 3.08Å; A75-I78 WeakPolarHBondContact O-CB 3.31Å |
| 76 | L | 95.7 | Very high | 94 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -70.5 | -36.2 | 176.6 | -71.8 | 168.6 | 0 | 0 | 0 | 112.7 | L19 L22 I72 S73 Q74 I78 W79 L81 L83 I107 I159 | L19-L76 HydrophobicContact CD2-CD1 4.4Å; L19-L76 HydrophobicContact CD2-CD2 3.72Å; L19-L76 HydrophobicContact CD2-CG 3.79Å; L22-L76 HydrophobicContact CD2-CD2 3.58Å; I72-L76 HydrophobicContact CG2-CD1 4.04Å; I72-L76 VanDerWaalsContact O-CG 3.28Å; I72-L76 WeakPolarHBondContact O-CG 3.34Å; I72-L76 PolarHBondContact O-N 2.96Å; S73-L76 PolarHBondContact O-N 3.3Å; Q74-L76 VanDerWaalsContact C-N 3.35Å; Q74-L76 PolarHBondContact O-N 3.44Å; L76-I78 PolarHBondContact O-N 2.87Å; L76-W79 WeakPolarHBondContact O-CA 3.45Å; L76-W79 WeakPolarHBondContact O-CB 3.43Å; L76-W79 PolarHBondContact O-N 2.92Å; L76-L81 CarbonylContact C-O 3.59Å; L76-L81 HydrophobicContact CB-CB 4.07Å; L76-L81 HydrophobicContact CD2-CB 4.34Å; L76-L81 HydrophobicContact CD2-CD1 3.9Å; L76-L81 WeakPolarHBondContact O-CB 3.28Å; L76-L81 PolarHBondContact O-N 2.87Å; L76-L83 HydrophobicContact CD1-CB 3.94Å; L76-L83 HydrophobicContact CD1-CD1 3.78Å; L76-L83 HydrophobicContact CD1-CD2 4.44Å; L76-L83 HydrophobicContact CD1-CG 4.28Å; L76-I107 HydrophobicContact CD1-CD1 4.09Å; L76-I159 HydrophobicContact CD1-CD1 3.7Å |
| 77 | Q | 94.8 | Very high | 94.2 | Very high | 87 Ų | 87 | 38.3 Ų | 38.3 | 41% | 0.407 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.5 | -27.1 | -178.2 | -168.7 | 134.9 | 31.9 | 0 | 0 | 113.4 | S73 Q74 W79 S80 L81 R281 | S73-Q77 PolarHBondContact O-N 2.96Å; Q74-Q77 PolarHBondContact O-N 3.27Å; Q77-W79 PolarHBondContact O-N 3.25Å; Q77-S80 PolarHBondContact O-N 3.29Å; Q77-L81 WeakPolarHBondContact CA-O 3.43Å; Q77-L81 PolarHBondContact N-O 3.17Å; Q77-R281 VanDerWaalsContact CD-CZ 3.42Å; Q77-R281 VanDerWaalsContact OE1-NH1 3.11Å |
| 78 | I | 93.4 | Very high | 94.2 | Very high | 30 Ų | 30 | 44.1 Ų | 44.1 | 15% | 0.154 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -31.2 | 170.2 | -74 | 144.8 | 0 | 0 | 0 | 112.3 | I36 Q74 A75 L76 A284 I287 | I36-I78 HydrophobicContact CD1-CD1 3.96Å; Q74-I78 WeakPolarHBondContact O-CD1 3.24Å; Q74-I78 PolarHBondContact O-N 2.9Å; A75-I78 WeakPolarHBondContact O-CB 3.31Å; L76-I78 PolarHBondContact O-N 2.87Å; I78-A284 HydrophobicContact CG2-CB 3.72Å; I78-A284 WeakPolarHBondContact O-CB 3.4Å; I78-I287 HydrophobicContact CD1-CD1 3.2Å; I78-I287 HydrophobicContact CG1-CD1 3.72Å; I78-I287 HydrophobicContact CG2-CD1 4.12Å |
| 79 | W | 93.4 | Very high | 94.2 | Very high | 77 Ų | 77 | 50.9 Ų | 50.9 | 29% | 0.292 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 8.9 | 177.7 | -68.2 | 87.5 | 0 | 0 | 0 | 113.5 | L23 Y27 F28 L76 Q77 L81 P164 | L23-W79 HydrophobicContact CD1-CD2 4.24Å; L23-W79 HydrophobicContact CD1-CG 4.29Å; L23-W79 HydrophobicContact CD1-CZ2 4.29Å; L23-W79 HydrophobicContact CD2-CD2 4.19Å; L23-W79 HydrophobicContact CD2-CG 4.16Å; Y27-W79 AromaticContact CD1-CH2 3.67Å; Y27-W79 HydrophobicContact CD1-CH2 3.67Å; Y27-W79 AromaticContact CD1-CZ2 3.46Å; Y27-W79 HydrophobicContact CD1-CZ2 3.46Å; Y27-W79 VanDerWaalsContact CD1-CZ2 3.46Å; Y27-W79 AromaticContact CE1-CH2 3.46Å; Y27-W79 HydrophobicContact CE1-CH2 3.46Å; Y27-W79 VanDerWaalsContact CE1-CH2 3.46Å; Y27-W79 AromaticContact CE1-CZ2 3.8Å; Y27-W79 HydrophobicContact CE1-CZ2 3.8Å; Y27-W79 HydrophobicContact CG-CH2 4.32Å; Y27-W79 AromaticContact CG-CZ2 3.87Å; Y27-W79 HydrophobicContact CG-CZ2 3.87Å; Y27-W79 AromaticContact CZ-CH2 3.95Å; F28-W79 AromaticContact CE2-NE1 3.66Å; F28-W79 AromaticContact CZ-NE1 3.79Å; L76-W79 WeakPolarHBondContact O-CA 3.45Å; L76-W79 WeakPolarHBondContact O-CB 3.43Å; L76-W79 PolarHBondContact O-N 2.92Å; Q77-W79 PolarHBondContact O-N 3.25Å; W79-L81 HydrophobicContact CB-CD1 3.94Å; W79-L81 HydrophobicContact CB-CG 3.92Å; W79-L81 PolarHBondContact O-N 3.38Å; W79-P164 HydrophobicContact CZ3-CB 4.32Å |
| 80 | S | 93.7 | Very high | 94.1 | Very high | 106 Ų | 106 | 49.2 Ų | 49.2 | 74% | 0.741 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 33.1 | -168.8 | -51.4 | 0 | 0 | 0 | 0 | 113.1 | Q77 | Q77-S80 PolarHBondContact O-N 3.29Š|
| 81 | L | 95.5 | Very high | 94 | Very high | 4 Ų | 4 | 48.4 Ų | 48.4 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | trans | -101.4 | 144.4 | 170.8 | -58 | 174.4 | 0 | 0 | 0 | 109.4 | L23 L76 Q77 W79 I159 T160 L163 | L23-L81 HydrophobicContact CD2-CD1 3.85Å; L76-L81 CarbonylContact C-O 3.59Å; L76-L81 HydrophobicContact CB-CB 4.07Å; L76-L81 HydrophobicContact CD2-CB 4.34Å; L76-L81 HydrophobicContact CD2-CD1 3.9Å; L76-L81 WeakPolarHBondContact O-CB 3.28Å; L76-L81 PolarHBondContact O-N 2.87Å; Q77-L81 WeakPolarHBondContact CA-O 3.43Å; Q77-L81 PolarHBondContact N-O 3.17Å; W79-L81 HydrophobicContact CB-CD1 3.94Å; W79-L81 HydrophobicContact CB-CG 3.92Å; W79-L81 PolarHBondContact O-N 3.38Å; L81-I159 HydrophobicContact CB-CG2 4.34Å; L81-I159 HydrophobicContact CD1-CG2 4.3Å; L81-I159 HydrophobicContact CD2-CG2 4.28Å; L81-T160 WeakPolarHBondContact CA-O 3.25Å; L81-L163 HydrophobicContact CD1-CD2 3.79Å; L81-L163 HydrophobicContact CD2-CD2 4.13Å | ||
| 82 | E | 94.8 | Very high | 93.7 | Very high | 99 Ų | 99 | 51.4 Ų | 51.4 | 46% | 0.463 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 140.9 | 173.3 | 173.1 | -169.9 | -170.8 | 0 | 0 | 109.8 | V84 R88 T160 | E82-V84 HydrophobicContact CG-CG2 3.77Å; E82-R88 IonicContact OE1-NH1 2.93Å; E82-R88 PolarHBondContact OE1-NH1 2.97Å; E82-T160 WeakPolarHBondContact CB-OG1 3.3Å; E82-T160 PolarHBondContact N-O 3.22Å; E82-T160 PolarHBondContact O-N 3.39Å; E82-T160 PolarHBondContact O-OG1 3.17Å |
| 83 | L | 95.1 | Very high | 93.6 | Very high | 14 Ų | 14 | 51.3 Ų | 51.3 | 7% | 0.073 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 99.4 | 178.2 | -173.4 | 69.4 | 0 | 0 | 0 | 109.2 | V69 I72 L76 I107 F157 I159 | V69-L83 HydrophobicContact CG2-CD2 3.82Å; I72-L83 HydrophobicContact CB-CD2 4.45Å; I72-L83 HydrophobicContact CG2-CD2 4.03Å; L76-L83 HydrophobicContact CD1-CB 3.94Å; L76-L83 HydrophobicContact CD1-CD1 3.78Å; L76-L83 HydrophobicContact CD1-CD2 4.44Å; L76-L83 HydrophobicContact CD1-CG 4.28Å; L83-I107 HydrophobicContact CD1-CB 4.33Å; L83-I107 HydrophobicContact CD1-CD1 4.11Å; L83-F157 HydrophobicContact CD1-CB 3.37Å; L83-F157 HydrophobicContact CD1-CD1 4.34Å; L83-F157 HydrophobicContact CD1-CG 3.93Å; L83-F157 HydrophobicContact CD2-CD1 4.23Å; L83-F157 HydrophobicContact CD2-CG 4.39Å; L83-F157 HydrophobicContact CG-CB 3.86Å; L83-F157 HydrophobicContact CG-CD1 3.9Å; L83-F157 HydrophobicContact CG-CG 4Å; L83-I159 HydrophobicContact CD1-CD1 3.55Å |
| 84 | V | 94.9 | Very high | 93.4 | Very high | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.012 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 120.6 | -174 | -177.7 | 0 | 0 | 0 | 0 | 110.6 | E82 F86 F157 I158 T160 | E82-V84 HydrophobicContact CG-CG2 3.77Å; V84-F86 PolarHBondContact O-N 3.13Å; V84-F157 CarbonylContact O-C 3.53Å; V84-F157 WeakPolarHBondContact O-CA 3.29Å; V84-I158 HydrophobicContact CB-CB 4.46Å; V84-I158 PolarHBondContact N-O 3.49Å; V84-I158 PolarHBondContact O-N 3.37Å; V84-T160 HydrophobicContact CG2-CG2 3.98Å |
| 85 | P | 94.9 | Very high | 93.3 | Very high | 55 Ų | 55 | 58.2 Ų | 58.2 | 36% | 0.357 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 131.4 | 175.4 | -22.9 | 32.4 | 0 | 0 | 0 | 112.4 | L87 R88 F157 | P85-L87 PolarHBondContact O-N 3.26Å; P85-L87 VanDerWaalsContact O-N 3.13Å; P85-R88 HydrophobicContact CB-CB 4.43Å; P85-R88 WeakPolarHBondContact O-CB 3.13Å; P85-R88 PolarHBondContact O-N 3.02Å; P85-F157 HydrophobicContact CB-CD1 4.24Å; P85-F157 HydrophobicContact CB-CE1 4.28Å; P85-F157 HydrophobicContact CG-CD1 4.1Å; P85-F157 HydrophobicContact CG-CE1 4.05Å |
| 86 | F | 93.5 | Very high | 93.1 | Very high | 12 Ų | 12 | 58.2 Ų | 58.2 | 5% | 0.053 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -24 | -174.9 | -175 | -109.7 | 0 | 0 | 0 | 114.4 | V84 A96 R97 F106 K150 I156 I158 | V84-F86 PolarHBondContact O-N 3.13Å; F86-A96 HydrophobicContact CD2-CB 4.47Å; F86-A96 HydrophobicContact CE2-CB 4.31Å; F86-R97 HydrophobicContact CD1-CG 4.28Å; F86-R97 HydrophobicContact CD2-CG 4.31Å; F86-R97 HydrophobicContact CE1-CG 3.81Å; F86-R97 HydrophobicContact CE2-CG 3.83Å; F86-R97 HydrophobicContact CZ-CB 4.38Å; F86-R97 HydrophobicContact CZ-CG 3.57Å; F86-R97 PolarHBondContact O-NH1 3.01Å; F86-F106 HydrophobicContact CD2-CE1 4.24Å; F86-F106 HydrophobicContact CE2-CE1 4.17Å; F86-K150 HydrophobicContact CE1-CD 4.32Å; F86-I156 HydrophobicContact CB-CB 3.74Å; F86-I156 HydrophobicContact CB-CG2 3.83Å; F86-I156 WeakPolarHBondContact CB-O 3.39Å; F86-I156 HydrophobicContact CD1-CB 4.32Å; F86-I156 HydrophobicContact CD1-CD1 4.17Å; F86-I156 HydrophobicContact CD1-CG2 4.43Å; F86-I156 HydrophobicContact CD2-CG2 4.19Å; F86-I156 HydrophobicContact CE1-CD1 4.39Å; F86-I156 HydrophobicContact CG-CB 4.11Å; F86-I156 HydrophobicContact CG-CG2 3.94Å; F86-I156 PolarHBondContact N-O 3.3Å; F86-I158 HydrophobicContact CB-CD1 4.49Å; F86-I158 HydrophobicContact CD2-CD1 3.96Å; F86-I158 HydrophobicContact CD2-CG1 3.93Å |
| 87 | L | 92.4 | Very high | 92.9 | Very high | 96 Ų | 96 | 62.3 Ų | 62.3 | 50% | 0.503 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -2.6 | 177.7 | -59.1 | -176.5 | 0 | 0 | 0 | 114 | P85 Q89 K150 | P85-L87 PolarHBondContact O-N 3.26Å; P85-L87 VanDerWaalsContact O-N 3.13Å; L87-Q89 PolarHBondContact O-NE2 2.77Å; L87-K150 HydrophobicContact CD2-CD 3.84Å; L87-K150 HydrophobicContact CD2-CG 4.21Å |
| 88 | R | 91.7 | Very high | 92.7 | Very high | 121 Ų | 121 | 66 Ų | 66 | 46% | 0.457 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -59.7 | 142.5 | 176.5 | -168.2 | 178.4 | -174.9 | -173 | 1.5 | 110.1 | E82 P85 C90 A93 R97 | E82-R88 IonicContact OE1-NH1 2.93Å; E82-R88 PolarHBondContact OE1-NH1 2.97Å; P85-R88 HydrophobicContact CB-CB 4.43Å; P85-R88 WeakPolarHBondContact O-CB 3.13Å; P85-R88 PolarHBondContact O-N 3.02Å; R88-C90 VanDerWaalsContact C-N 3.27Å; R88-C90 HydrophobicContact CG-CB 4.37Å; R88-C90 PolarHBondContact O-N 2.79Å; R88-C90 VanDerWaalsContact O-N 3.08Å; R88-A93 WeakPolarHBondContact O-CB 3.27Å; R88-R97 PolarHBondContact O-NH1 3.31Å |
| 89 | Q | 91.4 | Very high | 92.7 | Very high | 163 Ų | 163 | 68.7 Ų | 68.7 | 76% | 0.762 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -82.2 | 76.1 | 170.8 | -65.5 | 72.4 | 23.3 | 0 | 0 | 108.7 | L87 | L87-Q89 PolarHBondContact O-NE2 2.77Š|
| 90 | C | 90.9 | Very high | 92.6 | Very high | 17 Ų | 17 | 65.7 Ų | 65.7 | 12% | 0.115 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -139.2 | 154.5 | 170.3 | 71.1 | 0 | 0 | 0 | 0 | 110.9 | R88 E92 A93 E94 | R88-C90 VanDerWaalsContact C-N 3.27Å; R88-C90 HydrophobicContact CG-CB 4.37Å; R88-C90 PolarHBondContact O-N 2.79Å; R88-C90 VanDerWaalsContact O-N 3.08Å; C90-E92 PolarHBondContact O-N 3.32Å; C90-E92 VanDerWaalsContact O-N 3.12Å; C90-A93 PolarHBondContact O-N 3.43Å; C90-E94 PolarHBondContact O-N 2.85Å |
| 91 | P | 91.2 | Very high | 92.5 | Very high | 72 Ų | 72 | 61.1 Ų | 61.1 | 47% | 0.468 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -57.9 | -29.8 | -176 | -27.6 | 37.3 | 0 | 0 | 0 | 114 | R95 | P91-R95 VanDerWaalsContact C-NH1 3.32Å; P91-R95 WeakPolarHBondContact O-CB 3.49Å; P91-R95 VanDerWaalsContact O-CG 3.27Å; P91-R95 WeakPolarHBondContact O-CG 3.44Å; P91-R95 PolarHBondContact O-N 3.29Å; P91-R95 PolarHBondContact O-NH1 2.89Å |
| 92 | E | 89.9 | Confident | 92.3 | Very high | 62 Ų | 62 | 63.9 Ų | 63.9 | 29% | 0.29 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.4 | -47.3 | 177.6 | -64.9 | 54.3 | -117.1 | 0 | 0 | 110.7 | C90 R95 A96 T160 | C90-E92 PolarHBondContact O-N 3.32Å; C90-E92 VanDerWaalsContact O-N 3.12Å; E92-R95 IonicContact OE1-CZ 3.32Å; E92-R95 IonicContact OE1-NH1 3.91Å; E92-R95 PolarHBondContact OE1-NH1 3.09Å; E92-R95 IonicContact OE1-NH2 2.8Å; E92-R95 PolarHBondContact OE1-NH2 3.36Å; E92-A96 WeakPolarHBondContact O-CB 3.5Å; E92-A96 PolarHBondContact O-N 3.13Å; E92-T160 HydrophobicContact CB-CG2 4.25Å; E92-T160 HydrophobicContact CG-CG2 4.14Å |
| 93 | A | 91.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -71.5 | -34.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | R88 C90 A96 R97 I158 | R88-A93 WeakPolarHBondContact O-CB 3.27Å; C90-A93 PolarHBondContact O-N 3.43Å; A93-A96 PolarHBondContact O-N 2.94Å; A93-R97 WeakPolarHBondContact O-CG 3.38Å; A93-R97 PolarHBondContact O-N 2.99Å; A93-I158 HydrophobicContact CB-CD1 3.85Å |
| 94 | E | 92 | Very high | 92.2 | Very high | 85 Ų | 85 | 63.5 Ų | 63.5 | 40% | 0.397 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.2 | -49.9 | 173.3 | -75.2 | 169.8 | 170.3 | 0 | 0 | 111.6 | C90 A96 R97 E98 | C90-E94 PolarHBondContact O-N 2.85Å; E94-A96 VanDerWaalsContact C-N 3.28Å; E94-A96 PolarHBondContact O-N 3.44Å; E94-R97 PolarHBondContact O-N 3.47Å; E94-R97 VanDerWaalsContact O-N 3.08Å; E94-R97 IonicContact OE1-NH2 2.73Å; E94-E98 WeakPolarHBondContact O-CG 3.42Å; E94-E98 PolarHBondContact O-N 3.32Å |
| 95 | R | 92.1 | Very high | 92.3 | Very high | 120 Ų | 120 | 63.4 Ų | 63.4 | 45% | 0.453 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58.4 | -38.9 | 174.4 | -70.7 | -176.2 | -53.6 | -94.8 | 6.5 | 112.6 | P91 E92 N99 | P91-R95 VanDerWaalsContact C-NH1 3.32Å; P91-R95 WeakPolarHBondContact O-CB 3.49Å; P91-R95 VanDerWaalsContact O-CG 3.27Å; P91-R95 WeakPolarHBondContact O-CG 3.44Å; P91-R95 PolarHBondContact O-N 3.29Å; P91-R95 PolarHBondContact O-NH1 2.89Å; E92-R95 IonicContact OE1-CZ 3.32Å; E92-R95 IonicContact OE1-NH1 3.91Å; E92-R95 PolarHBondContact OE1-NH1 3.09Å; E92-R95 IonicContact OE1-NH2 2.8Å; E92-R95 PolarHBondContact OE1-NH2 3.36Å; R95-N99 CarbonylContact O-C 3.59Å; R95-N99 PolarHBondContact O-N 3.11Å |
| 96 | A | 92.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -69.4 | -29.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | F86 E92 A93 E94 P100 Q103 F106 I158 | F86-A96 HydrophobicContact CD2-CB 4.47Å; F86-A96 HydrophobicContact CE2-CB 4.31Å; E92-A96 WeakPolarHBondContact O-CB 3.5Å; E92-A96 PolarHBondContact O-N 3.13Å; A93-A96 PolarHBondContact O-N 2.94Å; E94-A96 VanDerWaalsContact C-N 3.28Å; E94-A96 PolarHBondContact O-N 3.44Å; A96-P100 VanDerWaalsContact O-CA 3.3Å; A96-P100 WeakPolarHBondContact O-CA 3.48Å; A96-P100 WeakPolarHBondContact O-CD 3.4Å; A96-P100 WeakPolarHBondContact O-CG 3.47Å; A96-Q103 HydrophobicContact CB-CG 3.66Å; A96-F106 HydrophobicContact CB-CE1 4.34Å; A96-I158 HydrophobicContact CB-CD1 3.47Å; A96-I158 VanDerWaalsContact CB-CD1 3.47Å; A96-I158 HydrophobicContact CB-CG1 3.82Å; A96-I158 HydrophobicContact CB-CG2 4.42Å |
| 97 | R | 91.7 | Very high | 92.5 | Very high | 86 Ų | 86 | 60.2 Ų | 60.2 | 33% | 0.325 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -76.4 | -39.7 | 173.5 | -73.6 | -171.6 | -56.5 | -120.2 | 10.2 | 112.5 | F86 R88 A93 E94 | F86-R97 HydrophobicContact CD1-CG 4.28Å; F86-R97 HydrophobicContact CD2-CG 4.31Å; F86-R97 HydrophobicContact CE1-CG 3.81Å; F86-R97 HydrophobicContact CE2-CG 3.83Å; F86-R97 HydrophobicContact CZ-CB 4.38Å; F86-R97 HydrophobicContact CZ-CG 3.57Å; F86-R97 PolarHBondContact O-NH1 3.01Å; R88-R97 PolarHBondContact O-NH1 3.31Å; A93-R97 WeakPolarHBondContact O-CG 3.38Å; A93-R97 PolarHBondContact O-N 2.99Å; E94-R97 PolarHBondContact O-N 3.47Å; E94-R97 VanDerWaalsContact O-N 3.08Å; E94-R97 IonicContact OE1-NH2 2.73Å |
| 98 | E | 91.4 | Very high | 92.7 | Very high | 165 Ų | 165 | 55.7 Ų | 55.7 | 77% | 0.771 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -71.5 | -40.1 | 178.2 | -70.6 | 176.6 | 176.9 | 0 | 0 | 112.4 | E94 | E94-E98 WeakPolarHBondContact O-CG 3.42Å; E94-E98 PolarHBondContact O-N 3.32Å |
| 99 | N | 92.8 | Very high | 92.8 | Very high | 86 Ų | 86 | 51.3 Ų | 51.3 | 46% | 0.46 | 25% | 0.254 | S | S | . | . | trans | -143.9 | 86.2 | 178.9 | -175.4 | -6.2 | 0 | 0 | 0 | 111.1 | R95 A101 S102 | R95-N99 CarbonylContact O-C 3.59Å; R95-N99 PolarHBondContact O-N 3.11Å; N99-A101 PolarHBondContact O-N 3.25Å; N99-A101 PolarHBondContact OD1-N 2.92Å; N99-S102 WeakPolarHBondContact O-CB 3.44Å; N99-S102 PolarHBondContact O-N 2.96Å; N99-S102 VanDerWaalsContact O-N 3.11Å; N99-S102 PolarHBondContact O-OG 2.8Å; N99-S102 PolarHBondContact OD1-N 3.47Å | ||
| 100 | P | 92 | Very high | 92.7 | Very high | 15 Ų | 15 | 46.2 Ų | 46.2 | 10% | 0.097 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -56 | -34.9 | 178.2 | -25.8 | 33.3 | 0 | 0 | 0 | 113.7 | A96 S102 Q103 F106 W124 L142 A143 L146 | A96-P100 VanDerWaalsContact O-CA 3.3Å; A96-P100 WeakPolarHBondContact O-CA 3.48Å; A96-P100 WeakPolarHBondContact O-CD 3.4Å; A96-P100 WeakPolarHBondContact O-CG 3.47Å; P100-S102 PolarHBondContact O-N 3.36Å; P100-S102 VanDerWaalsContact O-N 3.12Å; P100-Q103 PolarHBondContact O-N 2.81Å; P100-Q103 VanDerWaalsContact O-N 3.1Å; P100-F106 HydrophobicContact CB-CE2 4.39Å; P100-F106 HydrophobicContact CB-CZ 4.03Å; P100-W124 WeakPolarHBondContact O-CZ2 3.49Å; P100-L142 HydrophobicContact CB-CD2 4Å; P100-L142 HydrophobicContact CB-CG 4.24Å; P100-A143 HydrophobicContact CG-CB 4.23Å; P100-L146 HydrophobicContact CB-CD1 3.81Å; P100-L146 HydrophobicContact CG-CD1 4.31Å |
| 101 | A | 91.3 | Very high | 92.4 | Very high | 10 Ų | 10 | 51.8 Ų | 51.8 | 8% | 0.083 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -66.4 | -14.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | N99 Q103 K119 E139 | N99-A101 PolarHBondContact O-N 3.25Å; N99-A101 PolarHBondContact OD1-N 2.92Å; A101-Q103 VanDerWaalsContact C-N 3.32Å; A101-K119 PolarHBondContact O-NZ 2.94Å; A101-E139 HydrophobicContact CB-CB 4.05Å; A101-E139 HydrophobicContact CB-CG 3.84Å |
| 102 | S | 91.8 | Very high | 92.1 | Very high | 62 Ų | 62 | 55.3 Ų | 55.3 | 43% | 0.434 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -75.6 | -15.6 | 173.8 | 70.8 | 0 | 0 | 0 | 0 | 114.4 | N99 P100 | N99-S102 WeakPolarHBondContact O-CB 3.44Å; N99-S102 PolarHBondContact O-N 2.96Å; N99-S102 VanDerWaalsContact O-N 3.11Å; N99-S102 PolarHBondContact O-OG 2.8Å; N99-S102 PolarHBondContact OD1-N 3.47Å; P100-S102 PolarHBondContact O-N 3.36Å; P100-S102 VanDerWaalsContact O-N 3.12Å |
| 103 | Q | 93.9 | Very high | 92.1 | Very high | 25 Ų | 25 | 53.4 Ų | 53.4 | 12% | 0.117 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -86.5 | 168.4 | -177.9 | -56.4 | -52.6 | -61.9 | 0 | 0 | 112.1 | A96 P100 A101 F106 W124 I158 | A96-Q103 HydrophobicContact CB-CG 3.66Å; P100-Q103 PolarHBondContact O-N 2.81Å; P100-Q103 VanDerWaalsContact O-N 3.1Å; A101-Q103 VanDerWaalsContact C-N 3.32Å; Q103-F106 HydrophobicContact CB-CE2 4.06Å; Q103-F106 HydrophobicContact CB-CZ 3.82Å; Q103-F106 HydrophobicContact CG-CE1 4.33Å; Q103-F106 HydrophobicContact CG-CZ 3.81Å; Q103-W124 HydrophobicContact CB-CH2 4.26Å; Q103-W124 WeakPolarHBondContact O-CH2 3.32Å; Q103-W124 WeakPolarHBondContact O-CZ2 3.28Å; Q103-I158 HydrophobicContact CG-CG2 4.24Å |
| 104 | N | 93.3 | Very high | 92.3 | Very high | 80 Ų | 80 | 53.7 Ų | 53.7 | 43% | 0.428 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -93.3 | -39.7 | 178.6 | -66.5 | -29.8 | 0 | 0 | 0 | 112.6 | K119 L163 | N104-K119 WeakPolarHBondContact O-CB 3.45Å; N104-K119 PolarHBondContact O-N 3.19Å; N104-L163 HydrophobicContact CB-CD1 3.93Å |
| 105 | A | 96.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.7 | 157.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L22 I117 R118 I159 L163 | L22-A105 HydrophobicContact CD1-CB 3.31Å; A105-I117 CarbonylContact C-O 3.55Å; A105-I117 VanDerWaalsContact CA-O 3.27Å; A105-I117 WeakPolarHBondContact CA-O 3.46Å; A105-R118 HydrophobicContact CB-CB 4.19Å; A105-R118 HydrophobicContact CB-CG 4.35Å; A105-I159 HydrophobicContact CB-CB 4.22Å; A105-I159 HydrophobicContact CB-CG1 4.16Å; A105-I159 PolarHBondContact O-N 2.99Å; A105-L163 HydrophobicContact CB-CD1 4.23Å |
| 106 | F | 96.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 145.4 | 170.5 | -58.5 | -89.9 | 0 | 0 | 0 | 109.8 | F86 A96 P100 Q103 T116 I117 W124 L142 L146 I156 F157 I158 | F86-F106 HydrophobicContact CD2-CE1 4.24Å; F86-F106 HydrophobicContact CE2-CE1 4.17Å; A96-F106 HydrophobicContact CB-CE1 4.34Å; P100-F106 HydrophobicContact CB-CE2 4.39Å; P100-F106 HydrophobicContact CB-CZ 4.03Å; Q103-F106 HydrophobicContact CB-CE2 4.06Å; Q103-F106 HydrophobicContact CB-CZ 3.82Å; Q103-F106 HydrophobicContact CG-CE1 4.33Å; Q103-F106 HydrophobicContact CG-CZ 3.81Å; F106-T116 WeakPolarHBondContact O-CA 3.17Å; F106-I117 HydrophobicContact CB-CB 4.49Å; F106-I117 PolarHBondContact N-O 3.39Å; F106-I117 PolarHBondContact O-N 3.38Å; F106-W124 AromaticContact CD2-CH2 3.87Å; F106-W124 HydrophobicContact CD2-CH2 3.87Å; F106-W124 AromaticContact CD2-CZ3 3.77Å; F106-W124 HydrophobicContact CD2-CZ3 3.77Å; F106-W124 AromaticContact CE2-CH2 3.5Å; F106-W124 HydrophobicContact CE2-CH2 3.5Å; F106-W124 HydrophobicContact CE2-CZ2 4.26Å; F106-W124 AromaticContact CE2-CZ3 3.87Å; F106-W124 HydrophobicContact CE2-CZ3 3.87Å; F106-L142 HydrophobicContact CE2-CD2 4.39Å; F106-L146 HydrophobicContact CD1-CD1 4.34Å; F106-L146 HydrophobicContact CD2-CD1 4.13Å; F106-L146 HydrophobicContact CE1-CD1 4.05Å; F106-L146 HydrophobicContact CE2-CD1 3.85Å; F106-L146 HydrophobicContact CG-CD1 4.37Å; F106-L146 HydrophobicContact CG-CD2 4.39Å; F106-L146 HydrophobicContact CZ-CD1 3.81Å; F106-I156 HydrophobicContact CD1-CG2 4.24Å; F106-F157 CarbonylContact C-O 3.53Å; F106-F157 WeakPolarHBondContact CA-O 3.34Å; F106-I158 HydrophobicContact CD1-CG1 4.01Å; F106-I158 HydrophobicContact CE1-CG1 3.84Å |
| 107 | I | 96.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 130.8 | 162.1 | -71.5 | -178.1 | 0 | 0 | 0 | 107.4 | L22 I72 L76 L83 W114 F115 F157 I159 | L22-I107 HydrophobicContact CD2-CD1 3.83Å; L22-I107 HydrophobicContact CD2-CG1 4.18Å; I72-I107 HydrophobicContact CG2-CD1 3.92Å; L76-I107 HydrophobicContact CD1-CD1 4.09Å; L83-I107 HydrophobicContact CD1-CB 4.33Å; L83-I107 HydrophobicContact CD1-CD1 4.11Å; I107-W114 HydrophobicContact CG2-CE3 3.57Å; I107-W114 HydrophobicContact CG2-CZ3 3.89Å; I107-F115 WeakPolarHBondContact CA-O 3.2Å; I107-F157 HydrophobicContact CB-CB 4.48Å; I107-F157 PolarHBondContact N-O 3.45Å; I107-F157 PolarHBondContact O-N 3.46Å; I107-I159 HydrophobicContact CD1-CD1 3.87Å; I107-I159 HydrophobicContact CG1-CD1 3.98Å; I107-I159 HydrophobicContact CG1-CG1 4.36Å |
| 108 | C | 95.6 | Very high | 93 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.007 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 146.6 | 177 | -65.4 | 0 | 0 | 0 | 0 | 110.1 | F115 L149 | C108-F115 HydrophobicContact CB-CD1 4Å; C108-F115 HydrophobicContact CB-CD2 4.25Å; C108-F115 HydrophobicContact CB-CE1 3.48Å; C108-F115 VanDerWaalsContact CB-CE1 3.48Å; C108-F115 HydrophobicContact CB-CE2 3.78Å; C108-F115 HydrophobicContact CB-CG 4.37Å; C108-F115 HydrophobicContact CB-CZ 3.37Å; C108-F115 PolarHBondContact N-O 2.94Å; C108-F115 PolarHBondContact O-N 3.5Å; C108-L149 HydrophobicContact CB-CD1 4.17Å |
| 109 | H | 93.6 | Very high | 93.2 | Very high | 28 Ų | 28 | 34.6 Ų | 34.6 | 13% | 0.13 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 106.6 | 173.8 | -175.3 | -116.8 | 0 | 0 | 0 | 110 | Y66 H112 H113 W114 N154 S155 | Y66-H109 AromaticContact CE2-NE2 3.69Å; Y66-H109 AromaticContact CZ-NE2 3.87Å; Y66-H109 PolarHBondContact OH-CE1 3.13Å; Y66-H109 PolarHBondContact OH-NE2 2.83Å; Y66-H109 VanDerWaalsContact OH-NE2 3.15Å; H109-H112 VanDerWaalsContact NE2-CA 3.32Å; H109-H112 WeakPolarHBondContact NE2-CA 3.44Å; H109-H113 WeakPolarHBondContact CA-O 3.34Å; H109-W114 HydrophobicContact CB-CD2 4.13Å; H109-W114 HydrophobicContact CB-CE3 3.72Å; H109-W114 HydrophobicContact CB-CH2 3.83Å; H109-W114 HydrophobicContact CB-CZ2 4.21Å; H109-W114 HydrophobicContact CB-CZ3 3.6Å; H109-W114 AromaticContact CD2-CD1 3.9Å; H109-W114 AromaticContact CD2-CD2 3.52Å; H109-W114 AromaticContact CD2-CE2 3.33Å; H109-W114 AromaticContact CD2-CG 3.88Å; H109-W114 AromaticContact CD2-CZ2 3.7Å; H109-W114 AromaticContact CD2-NE1 3.58Å; H109-W114 AromaticContact CG-CE2 3.9Å; H109-W114 AromaticContact CG-CH2 3.95Å; H109-W114 AromaticContact CG-CZ2 3.83Å; H109-W114 AromaticContact NE2-CE2 3.93Å; H109-W114 AromaticContact NE2-NE1 3.85Å; H109-N154 WeakPolarHBondContact O-CB 3.19Å; H109-S155 PolarHBondContact N-O 2.87Å; H109-S155 PolarHBondContact O-N 3.18Å |
| 110 | Y | 89.4 | Confident | 93.2 | Very high | 56 Ų | 56 | 30.5 Ų | 30.5 | 22% | 0.22 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 126.9 | -176.8 | -179.3 | -96 | 0 | 0 | 0 | 109.5 | H112 H113 L149 E152 N154 | Y110-H112 VanDerWaalsContact C-N 3.34Å; Y110-H112 PolarHBondContact O-N 2.8Å; Y110-H112 VanDerWaalsContact O-N 3.16Å; Y110-H113 PolarHBondContact N-O 2.75Å; Y110-H113 WeakPolarHBondContact O-CA 3.19Å; Y110-H113 VanDerWaalsContact O-CB 3.28Å; Y110-H113 WeakPolarHBondContact O-CB 3.49Å; Y110-H113 PolarHBondContact O-N 3.37Å; Y110-L149 HydrophobicContact CD2-CD2 3.65Å; Y110-L149 HydrophobicContact CE2-CD2 4.33Å; Y110-L149 HydrophobicContact CG-CD2 4.4Å; Y110-E152 WeakPolarHBondContact CE2-OE2 3.49Å; Y110-N154 WeakPolarHBondContact CD2-ND2 3.37Å; Y110-N154 WeakPolarHBondContact CD2-OD1 3.45Å |
| 111 | Q | 85.6 | Confident | 93 | Very high | 134 Ų | 134 | 31 Ų | 31 | 63% | 0.626 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 43.7 | 50.1 | 176.4 | -60.9 | -173.6 | 16.5 | 0 | 0 | 115.1 | H113 | Q111-H113 PolarHBondContact O-N 3.48Š|
| 112 | H | 84.1 | Confident | 92.9 | Very high | 147 Ų | 147 | 37.2 Ų | 37.2 | 68% | 0.681 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.1 | 13.5 | -176.2 | -55.3 | -79.4 | 0 | 0 | 0 | 116.2 | Y66 H109 Y110 | Y66-H112 HydrophobicContact CE2-CB 4.4Å; Y66-H112 WeakPolarHBondContact CE2-O 3.16Å; H109-H112 VanDerWaalsContact NE2-CA 3.32Å; H109-H112 WeakPolarHBondContact NE2-CA 3.44Å; Y110-H112 VanDerWaalsContact C-N 3.34Å; Y110-H112 PolarHBondContact O-N 2.8Å; Y110-H112 VanDerWaalsContact O-N 3.16Å |
| 113 | H | 91.3 | Very high | 93 | Very high | 22 Ų | 22 | 35.9 Ų | 35.9 | 10% | 0.102 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 128.5 | 179 | -176 | 56.8 | 0 | 0 | 0 | 112.3 | Q9 C14 H109 Y110 Q111 N128 S129 I130 | Q9-H113 PolarHBondContact OE1-CE1 3.34Å; C14-H113 WeakPolarHBondContact CB-ND1 3.32Å; H109-H113 WeakPolarHBondContact CA-O 3.34Å; Y110-H113 PolarHBondContact N-O 2.75Å; Y110-H113 WeakPolarHBondContact O-CA 3.19Å; Y110-H113 VanDerWaalsContact O-CB 3.28Å; Y110-H113 WeakPolarHBondContact O-CB 3.49Å; Y110-H113 PolarHBondContact O-N 3.37Å; Q111-H113 PolarHBondContact O-N 3.48Å; H113-N128 PolarHBondContact NE2-OD1 2.83Å; H113-S129 PolarHBondContact CE1-OG 2.95Å; H113-I130 WeakPolarHBondContact NE2-CD1 3.19Å |
| 114 | W | 94.2 | Very high | 93 | Very high | 5 Ų | 5 | 34.8 Ų | 34.8 | 2% | 0.019 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 127.6 | 176.1 | -67.3 | 100.1 | 0 | 0 | 0 | 110.5 | C14 C18 Y66 V69 I72 I107 H109 F157 | C14-W114 HydrophobicContact CB-CB 4.25Å; C18-W114 HydrophobicContact CB-CB 4.1Å; Y66-W114 AromaticContact CE2-CD1 3.97Å; Y66-W114 AromaticContact CE2-NE1 3.51Å; Y66-W114 AromaticContact CZ-NE1 3.65Å; V69-W114 HydrophobicContact CB-CH2 3.79Å; V69-W114 HydrophobicContact CB-CZ2 4.06Å; V69-W114 HydrophobicContact CG2-CH2 3.76Å; V69-W114 HydrophobicContact CG2-CZ3 4.47Å; I72-W114 HydrophobicContact CD1-CD2 3.35Å; I72-W114 HydrophobicContact CD1-CE3 3.62Å; I72-W114 HydrophobicContact CD1-CG 3.77Å; I72-W114 HydrophobicContact CD1-CH2 4.17Å; I72-W114 HydrophobicContact CD1-CZ2 3.94Å; I72-W114 HydrophobicContact CD1-CZ3 3.99Å; I107-W114 HydrophobicContact CG2-CE3 3.57Å; I107-W114 HydrophobicContact CG2-CZ3 3.89Å; H109-W114 HydrophobicContact CB-CD2 4.13Å; H109-W114 HydrophobicContact CB-CE3 3.72Å; H109-W114 HydrophobicContact CB-CH2 3.83Å; H109-W114 HydrophobicContact CB-CZ2 4.21Å; H109-W114 HydrophobicContact CB-CZ3 3.6Å; H109-W114 AromaticContact CD2-CD1 3.9Å; H109-W114 AromaticContact CD2-CD2 3.52Å; H109-W114 AromaticContact CD2-CE2 3.33Å; H109-W114 AromaticContact CD2-CG 3.88Å; H109-W114 AromaticContact CD2-CZ2 3.7Å; H109-W114 AromaticContact CD2-NE1 3.58Å; H109-W114 AromaticContact CG-CE2 3.9Å; H109-W114 AromaticContact CG-CH2 3.95Å; H109-W114 AromaticContact CG-CZ2 3.83Å; H109-W114 AromaticContact NE2-CE2 3.93Å; H109-W114 AromaticContact NE2-NE1 3.85Å; W114-F157 AromaticContact CH2-CE2 3.8Å; W114-F157 HydrophobicContact CH2-CE2 3.8Å; W114-F157 HydrophobicContact CH2-CZ 4.34Å; W114-F157 AromaticContact CZ3-CD2 3.98Å; W114-F157 HydrophobicContact CZ3-CD2 3.98Å; W114-F157 AromaticContact CZ3-CE2 3.61Å; W114-F157 HydrophobicContact CZ3-CE2 3.61Å |
| 115 | F | 94.9 | Very high | 93.1 | Very high | 4 Ų | 4 | 31.2 Ų | 31.2 | 2% | 0.018 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 160.6 | 174.6 | 66.5 | -80.6 | 0 | 0 | 0 | 112.7 | I107 C108 I117 N128 Y145 L149 | I107-F115 WeakPolarHBondContact CA-O 3.2Å; C108-F115 HydrophobicContact CB-CD1 4Å; C108-F115 HydrophobicContact CB-CD2 4.25Å; C108-F115 HydrophobicContact CB-CE1 3.48Å; C108-F115 VanDerWaalsContact CB-CE1 3.48Å; C108-F115 HydrophobicContact CB-CE2 3.78Å; C108-F115 HydrophobicContact CB-CG 4.37Å; C108-F115 HydrophobicContact CB-CZ 3.37Å; C108-F115 PolarHBondContact N-O 2.94Å; C108-F115 PolarHBondContact O-N 3.5Å; F115-I117 HydrophobicContact CD2-CG1 4.3Å; F115-I117 HydrophobicContact CE2-CD1 4.13Å; F115-I117 HydrophobicContact CE2-CG1 4.08Å; F115-N128 HydrophobicContact CB-CB 3.79Å; F115-N128 HydrophobicContact CD2-CB 4.11Å; F115-N128 HydrophobicContact CG-CB 4.13Å; F115-Y145 HydrophobicContact CE2-CE1 4.02Å; F115-Y145 HydrophobicContact CZ-CE1 4.13Å; F115-L149 HydrophobicContact CZ-CD1 4.18Å |
| 116 | T | 96.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 139.8 | 180 | -73.9 | 0 | 0 | 0 | 0 | 111.5 | C18 L22 F106 R118 L127 | C18-T116 PolarHBondContact O-OG1 3.08Å; C18-T116 VanDerWaalsContact O-OG1 3.05Å; C18-T116 PolarHBondContact SG-OG1 2.94Å; L22-T116 HydrophobicContact CB-CG2 3.87Å; L22-T116 HydrophobicContact CD1-CG2 3.94Å; L22-T116 HydrophobicContact CG-CG2 4.49Å; F106-T116 WeakPolarHBondContact O-CA 3.17Å; T116-R118 HydrophobicContact CG2-CB 3.97Å; T116-L127 HydrophobicContact CG2-CD1 4.43Å; T116-L127 WeakPolarHBondContact O-CA 3.27Å; T116-L127 WeakPolarHBondContact O-CB 3.26Å; T116-L127 PolarHBondContact O-N 3.48Å |
| 117 | I | 96.3 | Very high | 93 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 111.5 | 163.7 | -55.9 | 170.2 | 0 | 0 | 0 | 106.7 | A105 F106 F115 W124 F125 I137 L142 Y145 L146 | A105-I117 CarbonylContact C-O 3.55Å; A105-I117 VanDerWaalsContact CA-O 3.27Å; A105-I117 WeakPolarHBondContact CA-O 3.46Å; F106-I117 HydrophobicContact CB-CB 4.49Å; F106-I117 PolarHBondContact N-O 3.39Å; F106-I117 PolarHBondContact O-N 3.38Å; F115-I117 HydrophobicContact CD2-CG1 4.3Å; F115-I117 HydrophobicContact CE2-CD1 4.13Å; F115-I117 HydrophobicContact CE2-CG1 4.08Å; I117-W124 HydrophobicContact CG2-CE3 3.85Å; I117-W124 HydrophobicContact CG2-CZ3 4.3Å; I117-F125 WeakPolarHBondContact CA-O 3.49Å; I117-I137 HydrophobicContact CG2-CD1 4.13Å; I117-L142 HydrophobicContact CG2-CD1 3.75Å; I117-Y145 HydrophobicContact CD1-CD1 3.89Å; I117-Y145 HydrophobicContact CD1-CE1 3.87Å; I117-L146 HydrophobicContact CD1-CD2 4.28Å |
| 118 | R | 95.6 | Very high | 92.8 | Very high | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.008 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 140.3 | -177.5 | 174.9 | 171.3 | 169 | 165.9 | -4 | 110.7 | L22 A105 T116 I120 F125 L127 L163 P164 D169 | L22-R118 WeakPolarHBondContact O-CD 3.31Å; L22-R118 PolarHBondContact O-NH1 3.49Å; A105-R118 HydrophobicContact CB-CB 4.19Å; A105-R118 HydrophobicContact CB-CG 4.35Å; T116-R118 HydrophobicContact CG2-CB 3.97Å; R118-I120 HydrophobicContact CB-CG1 4.49Å; R118-I120 HydrophobicContact CG-CG1 3.94Å; R118-F125 PolarHBondContact N-O 3.41Å; R118-F125 VanDerWaalsContact N-O 3.13Å; R118-F125 PolarHBondContact O-N 2.93Å; R118-L127 HydrophobicContact CB-CD1 3.95Å; R118-L163 HydrophobicContact CG-CD1 4.48Å; R118-P164 PolarHBondContact NH2-O 3.26Å; R118-D169 IonicContact CZ-OD2 3.47Å; R118-D169 IonicContact NH2-OD2 2.75Å; R118-D169 PolarHBondContact NH2-OD2 2.89Å |
| 119 | K | 94.5 | Very high | 92.6 | Very high | 50 Ų | 50 | 32.4 Ų | 32.4 | 22% | 0.217 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 122.3 | 164.9 | -162.6 | 171.6 | -164.6 | 163.2 | 0 | 108.4 | A101 N104 Q123 W124 E139 | A101-K119 PolarHBondContact O-NZ 2.94Å; N104-K119 WeakPolarHBondContact O-CB 3.45Å; N104-K119 PolarHBondContact O-N 3.19Å; K119-Q123 CarbonylContact C-O 3.59Å; K119-Q123 VanDerWaalsContact CA-O 3.31Å; K119-Q123 WeakPolarHBondContact CA-O 3.34Å; K119-W124 HydrophobicContact CB-CD2 3.9Å; K119-W124 HydrophobicContact CB-CE3 3.9Å; K119-W124 HydrophobicContact CB-CH2 4Å; K119-W124 HydrophobicContact CB-CZ2 3.96Å; K119-W124 HydrophobicContact CB-CZ3 3.97Å; K119-W124 HydrophobicContact CD-CZ2 3.98Å; K119-W124 HydrophobicContact CG-CD2 4.19Å; K119-W124 HydrophobicContact CG-CZ2 4.31Å; K119-E139 IonicContact NZ-OE1 3.59Å |
| 120 | I | 92.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 117.9 | 176.7 | -51.4 | -179.1 | 0 | 0 | 0 | 108.3 | I4 R118 K122 Q123 F125 L127 A168 D169 L172 | I4-I120 HydrophobicContact CB-CD1 4.36Å; I4-I120 HydrophobicContact CD1-CD1 4.15Å; I4-I120 HydrophobicContact CG1-CD1 3.93Å; I4-I120 HydrophobicContact CG2-CD1 3.63Å; R118-I120 HydrophobicContact CB-CG1 4.49Å; R118-I120 HydrophobicContact CG-CG1 3.94Å; I120-K122 PolarHBondContact O-N 3.23Å; I120-Q123 PolarHBondContact N-O 3.42Å; I120-Q123 PolarHBondContact O-N 3.2Å; I120-Q123 VanDerWaalsContact O-N 3.08Å; I120-F125 HydrophobicContact CB-CD2 3.91Å; I120-F125 HydrophobicContact CB-CE2 4.03Å; I120-F125 HydrophobicContact CD1-CD2 4.1Å; I120-F125 HydrophobicContact CG1-CD2 4.05Å; I120-L127 HydrophobicContact CD1-CD1 4.46Å; I120-A168 HydrophobicContact CG2-CB 3.55Å; I120-D169 VanDerWaalsContact CA-OD1 3.22Å; I120-D169 WeakPolarHBondContact CA-OD1 3.46Å; I120-D169 WeakPolarHBondContact CG2-OD1 3.19Å; I120-L172 HydrophobicContact CB-CD1 4.27Å; I120-L172 HydrophobicContact CG2-CD1 3.81Å |
| 121 | G | 89.7 | Confident | 92.5 | Very high | 24 Ų | 24 | 33.9 Ų | 33.9 | 25% | 0.247 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | -100.4 | -168.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | D169 S173 | G121-D169 PolarHBondContact N-OD1 3.15Å; G121-S173 WeakPolarHBondContact CA-OG 3.45Å |
| 122 | K | 89 | Confident | 92.6 | Very high | 142 Ų | 142 | 32.2 Ų | 32.2 | 62% | 0.617 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -117.6 | 2.7 | 179.5 | -67.8 | 172.6 | -177 | 148.6 | 0 | 113.9 | I120 S173 | I120-K122 PolarHBondContact O-N 3.23Å; K122-S173 PolarHBondContact NZ-O 3.44Å |
| 123 | Q | 92.5 | Very high | 92.8 | Very high | 34 Ų | 34 | 28.3 Ų | 28.3 | 16% | 0.159 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 155.3 | -169.7 | -77.9 | 178.2 | -57.3 | 0 | 0 | 111.4 | K119 I120 F125 L136 P176 V177 | K119-Q123 CarbonylContact C-O 3.59Å; K119-Q123 VanDerWaalsContact CA-O 3.31Å; K119-Q123 WeakPolarHBondContact CA-O 3.34Å; I120-Q123 PolarHBondContact N-O 3.42Å; I120-Q123 PolarHBondContact O-N 3.2Å; I120-Q123 VanDerWaalsContact O-N 3.08Å; Q123-F125 HydrophobicContact CB-CE2 3.73Å; Q123-F125 HydrophobicContact CB-CZ 4.17Å; Q123-L136 HydrophobicContact CB-CD1 3.83Å; Q123-L136 HydrophobicContact CG-CD1 4.2Å; Q123-P176 HydrophobicContact CG-CB 4.43Å; Q123-P176 VanDerWaalsContact OE1-CA 3.24Å; Q123-V177 PolarHBondContact NE2-O 3.5Å |
| 124 | W | 95.1 | Very high | 92.8 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 0% | 0.004 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 140 | 177.3 | -72.6 | 95.1 | 0 | 0 | 0 | 110.5 | P100 Q103 F106 I117 K119 I137 L142 | P100-W124 WeakPolarHBondContact O-CZ2 3.49Å; Q103-W124 HydrophobicContact CB-CH2 4.26Å; Q103-W124 WeakPolarHBondContact O-CH2 3.32Å; Q103-W124 WeakPolarHBondContact O-CZ2 3.28Å; F106-W124 AromaticContact CD2-CH2 3.87Å; F106-W124 HydrophobicContact CD2-CH2 3.87Å; F106-W124 AromaticContact CD2-CZ3 3.77Å; F106-W124 HydrophobicContact CD2-CZ3 3.77Å; F106-W124 AromaticContact CE2-CH2 3.5Å; F106-W124 HydrophobicContact CE2-CH2 3.5Å; F106-W124 HydrophobicContact CE2-CZ2 4.26Å; F106-W124 AromaticContact CE2-CZ3 3.87Å; F106-W124 HydrophobicContact CE2-CZ3 3.87Å; I117-W124 HydrophobicContact CG2-CE3 3.85Å; I117-W124 HydrophobicContact CG2-CZ3 4.3Å; K119-W124 HydrophobicContact CB-CD2 3.9Å; K119-W124 HydrophobicContact CB-CE3 3.9Å; K119-W124 HydrophobicContact CB-CH2 4Å; K119-W124 HydrophobicContact CB-CZ2 3.96Å; K119-W124 HydrophobicContact CB-CZ3 3.97Å; K119-W124 HydrophobicContact CD-CZ2 3.98Å; K119-W124 HydrophobicContact CG-CD2 4.19Å; K119-W124 HydrophobicContact CG-CZ2 4.31Å; W124-I137 HydrophobicContact CB-CB 4.02Å; W124-I137 HydrophobicContact CB-CG2 4.13Å; W124-I137 WeakPolarHBondContact CB-O 3.35Å; W124-I137 PolarHBondContact O-N 3.2Å; W124-L142 HydrophobicContact CD2-CD2 3.58Å; W124-L142 VanDerWaalsContact CE2-CD2 3.42Å; W124-L142 HydrophobicContact CE3-CD1 4.44Å; W124-L142 HydrophobicContact CE3-CD2 4.11Å; W124-L142 HydrophobicContact CG-CD2 3.87Å; W124-L142 HydrophobicContact CH2-CD2 4.28Å; W124-L142 HydrophobicContact CZ2-CD2 3.8Å; W124-L142 HydrophobicContact CZ3-CD2 4.42Å |
| 125 | F | 94.9 | Very high | 92.7 | Very high | 5 Ų | 5 | 31.4 Ų | 31.4 | 2% | 0.022 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 133.9 | 177.9 | -66.1 | -90.8 | 0 | 0 | 0 | 110.5 | I4 I117 R118 I120 Q123 L127 P134 K135 L136 L172 V177 | I4-F125 HydrophobicContact CD1-CD1 3.6Å; I4-F125 HydrophobicContact CD1-CD2 3.98Å; I4-F125 HydrophobicContact CD1-CE1 3.47Å; I4-F125 VanDerWaalsContact CD1-CE1 3.47Å; I4-F125 HydrophobicContact CD1-CE2 3.87Å; I4-F125 HydrophobicContact CD1-CG 3.85Å; I4-F125 HydrophobicContact CD1-CZ 3.62Å; I117-F125 WeakPolarHBondContact CA-O 3.49Å; R118-F125 PolarHBondContact N-O 3.41Å; R118-F125 VanDerWaalsContact N-O 3.13Å; R118-F125 PolarHBondContact O-N 2.93Å; I120-F125 HydrophobicContact CB-CD2 3.91Å; I120-F125 HydrophobicContact CB-CE2 4.03Å; I120-F125 HydrophobicContact CD1-CD2 4.1Å; I120-F125 HydrophobicContact CG1-CD2 4.05Å; Q123-F125 HydrophobicContact CB-CE2 3.73Å; Q123-F125 HydrophobicContact CB-CZ 4.17Å; F125-L127 HydrophobicContact CB-CD2 3.84Å; F125-L127 HydrophobicContact CB-CG 4.37Å; F125-P134 HydrophobicContact CD1-CB 4.06Å; F125-K135 CarbonylContact C-O 3.5Å; F125-K135 WeakPolarHBondContact CA-O 3.47Å; F125-L136 HydrophobicContact CD1-CD1 3.97Å; F125-L136 HydrophobicContact CE1-CB 4.32Å; F125-L136 HydrophobicContact CE1-CD1 3.39Å; F125-L136 HydrophobicContact CE1-CG 4.45Å; F125-L136 HydrophobicContact CE2-CD1 4.01Å; F125-L136 HydrophobicContact CG-CD1 4.5Å; F125-L136 HydrophobicContact CZ-CD1 3.4Å; F125-L136 VanDerWaalsContact CZ-CD1 3.4Å; F125-L172 HydrophobicContact CE2-CD1 3.78Å; F125-L172 HydrophobicContact CZ-CD1 3.82Å; F125-V177 HydrophobicContact CE1-CG2 4.42Å; F125-V177 HydrophobicContact CZ-CG2 4.09Å |
| 126 | N | 95.1 | Very high | 92.6 | Very high | 4 Ų | 4 | 32.9 Ų | 32.9 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 117.8 | 161.4 | -163.1 | -14.8 | 0 | 0 | 0 | 108 | N128 L131 K135 I137 | N126-N128 VanDerWaalsContact OD1-CB 3.24Å; N126-N128 WeakPolarHBondContact OD1-CB 3.08Å; N126-N128 PolarHBondContact OD1-N 3.48Å; N126-L131 HydrophobicContact CB-CD1 4.19Å; N126-K135 HydrophobicContact CB-CB 4.19Å; N126-K135 PolarHBondContact N-O 2.93Å; N126-K135 PolarHBondContact O-N 2.88Å; N126-I137 HydrophobicContact CB-CD1 3.77Å; N126-I137 HydrophobicContact CB-CG1 4.35Å |
| 127 | L | 94.7 | Very high | 92.4 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | trans | -108.9 | 30 | 177.7 | -51.4 | 178.4 | 0 | 0 | 0 | 111 | I4 A21 T116 R118 I120 F125 S129 P134 | I4-L127 HydrophobicContact CG2-CD2 3.79Å; A21-L127 HydrophobicContact CB-CB 3.76Å; A21-L127 HydrophobicContact CB-CD1 4.03Å; A21-L127 WeakPolarHBondContact O-CD1 3.49Å; T116-L127 HydrophobicContact CG2-CD1 4.43Å; T116-L127 WeakPolarHBondContact O-CA 3.27Å; T116-L127 WeakPolarHBondContact O-CB 3.26Å; T116-L127 PolarHBondContact O-N 3.48Å; R118-L127 HydrophobicContact CB-CD1 3.95Å; I120-L127 HydrophobicContact CD1-CD1 4.46Å; F125-L127 HydrophobicContact CB-CD2 3.84Å; F125-L127 HydrophobicContact CB-CG 4.37Å; L127-S129 PolarHBondContact O-N 3.29Å; L127-P134 HydrophobicContact CD2-CB 3.74Å; L127-P134 HydrophobicContact CD2-CG 3.89Å | ||
| 128 | N | 93.3 | Very high | 92.3 | Very high | 19 Ų | 19 | 35.7 Ų | 35.7 | 10% | 0.102 | 20% | 0.2 | C | C | . | . | trans | -55.1 | 124.5 | 170.3 | 178.8 | -5 | 0 | 0 | 0 | 109.9 | H6 H113 F115 N126 I130 L131 | H6-N128 PolarHBondContact NE2-O 3.36Å; H113-N128 PolarHBondContact NE2-OD1 2.83Å; F115-N128 HydrophobicContact CB-CB 3.79Å; F115-N128 HydrophobicContact CD2-CB 4.11Å; F115-N128 HydrophobicContact CG-CB 4.13Å; N126-N128 VanDerWaalsContact OD1-CB 3.24Å; N126-N128 WeakPolarHBondContact OD1-CB 3.08Å; N126-N128 PolarHBondContact OD1-N 3.48Å; N128-I130 PolarHBondContact O-N 3.12Å; N128-I130 WeakPolarHBondContact OD1-CB 3.39Å; N128-I130 PolarHBondContact OD1-N 3.05Å; N128-L131 HydrophobicContact CB-CD1 3.94Å; N128-L131 HydrophobicContact CB-CG 3.93Å; N128-L131 WeakPolarHBondContact O-CB 3.33Å; N128-L131 WeakPolarHBondContact O-CG 3.43Å; N128-L131 PolarHBondContact O-N 3.25Å | ||
| 129 | S | 91.6 | Very high | 92.1 | Very high | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.014 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -9.1 | -175.9 | 51.9 | 0 | 0 | 0 | 0 | 114.2 | E7 K8 Q9 H113 L127 | E7-S129 WeakPolarHBondContact O-CB 3.4Å; K8-S129 WeakPolarHBondContact CA-O 3.24Å; Q9-S129 PolarHBondContact N-O 2.92Å; Q9-S129 PolarHBondContact OE1-OG 3.47Å; H113-S129 PolarHBondContact CE1-OG 2.95Å; L127-S129 PolarHBondContact O-N 3.29Å |
| 130 | I | 90.7 | Very high | 92 | Very high | 104 Ų | 104 | 43.2 Ų | 43.2 | 53% | 0.533 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -30.6 | 170.9 | -61.8 | 172 | 0 | 0 | 0 | 110.7 | H113 N128 | H113-I130 WeakPolarHBondContact NE2-CD1 3.19Å; N128-I130 PolarHBondContact O-N 3.12Å; N128-I130 WeakPolarHBondContact OD1-CB 3.39Å; N128-I130 PolarHBondContact OD1-N 3.05Å |
| 131 | L | 89.9 | Confident | 92 | Very high | 11 Ų | 11 | 45.9 Ų | 45.9 | 6% | 0.058 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -63.2 | 159 | -178.8 | -55.5 | 177.5 | 0 | 0 | 0 | 111.5 | H6 N126 N128 S133 K135 D211 | H6-L131 PolarHBondContact CE1-O 3.43Å; N126-L131 HydrophobicContact CB-CD1 4.19Å; N128-L131 HydrophobicContact CB-CD1 3.94Å; N128-L131 HydrophobicContact CB-CG 3.93Å; N128-L131 WeakPolarHBondContact O-CB 3.33Å; N128-L131 WeakPolarHBondContact O-CG 3.43Å; N128-L131 PolarHBondContact O-N 3.25Å; L131-S133 VanDerWaalsContact C-N 3.34Å; L131-S133 WeakPolarHBondContact CB-O 3.4Å; L131-K135 HydrophobicContact CD1-CB 4.05Å; L131-D211 VanDerWaalsContact CD2-CG 3.48Å; L131-D211 WeakPolarHBondContact CD2-OD1 3.26Å; L131-D211 WeakPolarHBondContact CD2-OD2 3.34Å |
| 132 | S | 88 | Confident | 92.3 | Very high | 100 Ų | 100 | 44.7 Ų | 44.7 | 70% | 0.699 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -74.2 | -26.1 | 171.8 | 59 | 0 | 0 | 0 | 0 | 113.1 | ||
| 133 | S | 88.4 | Confident | 92.5 | Very high | 65 Ų | 65 | 40 Ų | 40 | 46% | 0.455 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -164.1 | 166.5 | -176.4 | 57.8 | 0 | 0 | 0 | 0 | 111.3 | L131 K135 | L131-S133 VanDerWaalsContact C-N 3.34Å; L131-S133 WeakPolarHBondContact CB-O 3.4Å; S133-K135 PolarHBondContact O-N 3.07Å |
| 134 | P | 91.6 | Very high | 92.5 | Very high | 31 Ų | 31 | 43.4 Ų | 43.4 | 20% | 0.201 | 25% | 0.248 | C | C | . | . | trans | -57.6 | 113.9 | 173.2 | -29.8 | 39.2 | 0 | 0 | 0 | 113.6 | I4 H6 F125 L127 | I4-P134 HydrophobicContact CB-CG 4.05Å; I4-P134 HydrophobicContact CD1-CB 4.11Å; I4-P134 HydrophobicContact CD1-CG 4.48Å; I4-P134 HydrophobicContact CG2-CB 4.15Å; I4-P134 HydrophobicContact CG2-CG 3.64Å; H6-P134 HydrophobicContact CB-CG 3.74Å; F125-P134 HydrophobicContact CD1-CB 4.06Å; L127-P134 HydrophobicContact CD2-CB 3.74Å; L127-P134 HydrophobicContact CD2-CG 3.89Å | ||
| 135 | K | 91.9 | Very high | 92.4 | Very high | 61 Ų | 61 | 43.8 Ų | 43.8 | 27% | 0.265 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 125.8 | 176.5 | -168.7 | 172.2 | -166.6 | 167.1 | 0 | 109.6 | F125 N126 L131 S133 D211 D214 | F125-K135 CarbonylContact C-O 3.5Å; F125-K135 WeakPolarHBondContact CA-O 3.47Å; N126-K135 HydrophobicContact CB-CB 4.19Å; N126-K135 PolarHBondContact N-O 2.93Å; N126-K135 PolarHBondContact O-N 2.88Å; L131-K135 HydrophobicContact CD1-CB 4.05Å; S133-K135 PolarHBondContact O-N 3.07Å; K135-D211 IonicContact NZ-OD2 2.8Å; K135-D211 PolarHBondContact NZ-OD2 3.33Å; K135-D214 IonicContact NZ-OD1 3.08Å; K135-D214 PolarHBondContact NZ-OD1 3.37Å; K135-D214 IonicContact NZ-OD2 3.39Å; K135-D214 PolarHBondContact NZ-OD2 2.91Å |
| 136 | L | 92.8 | Very high | 92.4 | Very high | 34 Ų | 34 | 43.7 Ų | 43.7 | 18% | 0.178 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 142.8 | 175.4 | -167.7 | 72.4 | 0 | 0 | 0 | 109.9 | Q123 F125 E179 | Q123-L136 HydrophobicContact CB-CD1 3.83Å; Q123-L136 HydrophobicContact CG-CD1 4.2Å; F125-L136 HydrophobicContact CD1-CD1 3.97Å; F125-L136 HydrophobicContact CE1-CB 4.32Å; F125-L136 HydrophobicContact CE1-CD1 3.39Å; F125-L136 HydrophobicContact CE1-CG 4.45Å; F125-L136 HydrophobicContact CE2-CD1 4.01Å; F125-L136 HydrophobicContact CG-CD1 4.5Å; F125-L136 HydrophobicContact CZ-CD1 3.4Å; F125-L136 VanDerWaalsContact CZ-CD1 3.4Å; L136-E179 HydrophobicContact CD2-CG 3.49Å; L136-E179 VanDerWaalsContact CD2-CG 3.49Å |
| 137 | I | 92.9 | Very high | 92.2 | Very high | 7 Ų | 7 | 46 Ų | 46 | 4% | 0.036 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 129.3 | 174.8 | -72.2 | 178.3 | 0 | 0 | 0 | 107.9 | I117 W124 N126 Y141 L142 | I117-I137 HydrophobicContact CG2-CD1 4.13Å; W124-I137 HydrophobicContact CB-CB 4.02Å; W124-I137 HydrophobicContact CB-CG2 4.13Å; W124-I137 WeakPolarHBondContact CB-O 3.35Å; W124-I137 PolarHBondContact O-N 3.2Å; N126-I137 HydrophobicContact CB-CD1 3.77Å; N126-I137 HydrophobicContact CB-CG1 4.35Å; I137-Y141 HydrophobicContact CB-CD1 4.44Å; I137-Y141 HydrophobicContact CG1-CD1 4.11Å; I137-Y141 HydrophobicContact CG1-CE1 4.38Å; I137-Y141 HydrophobicContact CG2-CD1 4.03Å; I137-L142 HydrophobicContact CG2-CB 3.65Å; I137-L142 HydrophobicContact CG2-CD1 4.25Å |
| 138 | S | 92.5 | Very high | 92.1 | Very high | 52 Ų | 52 | 48.9 Ų | 48.9 | 36% | 0.364 | 28% | 0.282 | S | S | . | . | trans | -76.5 | 153.9 | 169.2 | 66.4 | 0 | 0 | 0 | 0 | 111.3 | T140 Y141 L142 | S138-T140 PolarHBondContact O-N 3.01Å; S138-T140 PolarHBondContact OG-OG1 3.29Å; S138-Y141 PolarHBondContact O-N 2.98Å; S138-Y141 VanDerWaalsContact O-N 3.14Å; S138-Y141 VanDerWaalsContact OG-CB 3.22Å; S138-Y141 WeakPolarHBondContact OG-CB 3.47Å; S138-Y141 PolarHBondContact OG-N 3.19Å; S138-L142 PolarHBondContact O-N 3.42Å | ||
| 139 | E | 93.1 | Very high | 92.1 | Very high | 104 Ų | 104 | 48.1 Ų | 48.1 | 49% | 0.486 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.5 | -29.3 | -178.9 | -64.9 | -170.5 | 152.9 | 0 | 0 | 112.9 | A101 K119 A143 | A101-E139 HydrophobicContact CB-CB 4.05Å; A101-E139 HydrophobicContact CB-CG 3.84Å; K119-E139 IonicContact NZ-OE1 3.59Å; E139-A143 PolarHBondContact O-N 3.47Å |
| 140 | T | 91.8 | Very high | 92 | Very high | 106 Ų | 106 | 52.2 Ų | 52.2 | 65% | 0.65 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -72.8 | -45.5 | 173.2 | 48.5 | 0 | 0 | 0 | 0 | 111.9 | S138 L142 A143 I144 | S138-T140 PolarHBondContact O-N 3.01Å; S138-T140 PolarHBondContact OG-OG1 3.29Å; T140-L142 VanDerWaalsContact C-N 3.32Å; T140-L142 PolarHBondContact O-N 2.8Å; T140-A143 PolarHBondContact O-N 2.81Å; T140-I144 WeakPolarHBondContact O-CG1 3.29Å; T140-I144 PolarHBondContact O-N 3.13Å |
| 141 | Y | 93.3 | Very high | 92.1 | Very high | 56 Ų | 56 | 54.6 Ų | 54.6 | 22% | 0.22 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.2 | -37.3 | 176.7 | -175.7 | -115.9 | 0 | 0 | 0 | 111.7 | I137 S138 A143 I144 Y145 L217 | I137-Y141 HydrophobicContact CB-CD1 4.44Å; I137-Y141 HydrophobicContact CG1-CD1 4.11Å; I137-Y141 HydrophobicContact CG1-CE1 4.38Å; I137-Y141 HydrophobicContact CG2-CD1 4.03Å; S138-Y141 PolarHBondContact O-N 2.98Å; S138-Y141 VanDerWaalsContact O-N 3.14Å; S138-Y141 VanDerWaalsContact OG-CB 3.22Å; S138-Y141 WeakPolarHBondContact OG-CB 3.47Å; S138-Y141 PolarHBondContact OG-N 3.19Å; Y141-A143 VanDerWaalsContact C-N 3.34Å; Y141-A143 PolarHBondContact O-N 2.9Å; Y141-I144 PolarHBondContact O-N 2.89Å; Y141-Y145 HydrophobicContact CE1-CD2 4.42Å; Y141-Y145 VanDerWaalsContact O-CB 3.28Å; Y141-Y145 WeakPolarHBondContact O-CB 3.22Å; Y141-Y145 PolarHBondContact O-N 2.73Å; Y141-L217 HydrophobicContact CE2-CD1 4.03Å |
| 142 | L | 94.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -54 | -48.6 | 174 | -179 | 66.7 | 0 | 0 | 0 | 112.2 | P100 F106 I117 W124 I137 S138 T140 Y145 L146 | P100-L142 HydrophobicContact CB-CD2 4Å; P100-L142 HydrophobicContact CB-CG 4.24Å; F106-L142 HydrophobicContact CE2-CD2 4.39Å; I117-L142 HydrophobicContact CG2-CD1 3.75Å; W124-L142 HydrophobicContact CD2-CD2 3.58Å; W124-L142 VanDerWaalsContact CE2-CD2 3.42Å; W124-L142 HydrophobicContact CE3-CD1 4.44Å; W124-L142 HydrophobicContact CE3-CD2 4.11Å; W124-L142 HydrophobicContact CG-CD2 3.87Å; W124-L142 HydrophobicContact CH2-CD2 4.28Å; W124-L142 HydrophobicContact CZ2-CD2 3.8Å; W124-L142 HydrophobicContact CZ3-CD2 4.42Å; I137-L142 HydrophobicContact CG2-CB 3.65Å; I137-L142 HydrophobicContact CG2-CD1 4.25Å; S138-L142 PolarHBondContact O-N 3.42Å; T140-L142 VanDerWaalsContact C-N 3.32Å; T140-L142 PolarHBondContact O-N 2.8Å; L142-Y145 PolarHBondContact O-N 2.78Å; L142-L146 HydrophobicContact CD1-CD1 3.9Å; L142-L146 HydrophobicContact CD1-CG 4.21Å; L142-L146 HydrophobicContact CG-CD1 3.96Å; L142-L146 WeakPolarHBondContact O-CB 3.08Å; L142-L146 VanDerWaalsContact O-CG 3.28Å; L142-L146 WeakPolarHBondContact O-CG 3.43Å; L142-L146 PolarHBondContact O-N 2.88Å |
| 143 | A | 93.5 | Very high | 92.2 | Very high | 42 Ų | 42 | 56.6 Ų | 56.6 | 35% | 0.347 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.2 | -39.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | P100 E139 T140 Y141 A147 | P100-A143 HydrophobicContact CG-CB 4.23Å; E139-A143 PolarHBondContact O-N 3.47Å; T140-A143 PolarHBondContact O-N 2.81Å; Y141-A143 VanDerWaalsContact C-N 3.34Å; Y141-A143 PolarHBondContact O-N 2.9Å; A143-A147 VanDerWaalsContact O-CB 3.32Å; A143-A147 WeakPolarHBondContact O-CB 3.2Å; A143-A147 PolarHBondContact O-N 2.99Å; A143-A147 VanDerWaalsContact O-N 3.1Å |
| 144 | I | 93.3 | Very high | 92.4 | Very high | 106 Ų | 106 | 55 Ų | 55 | 54% | 0.544 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.9 | -48.1 | 176 | -64.1 | 167.2 | 0 | 0 | 0 | 110.5 | T140 Y141 L146 A147 Q148 | T140-I144 WeakPolarHBondContact O-CG1 3.29Å; T140-I144 PolarHBondContact O-N 3.13Å; Y141-I144 PolarHBondContact O-N 2.89Å; I144-L146 PolarHBondContact O-N 2.89Å; I144-A147 WeakPolarHBondContact O-CB 3.47Å; I144-A147 PolarHBondContact O-N 2.87Å; I144-A147 VanDerWaalsContact O-N 3.12Å; I144-Q148 PolarHBondContact O-N 3.16Å |
| 145 | Y | 93.1 | Very high | 92.5 | Very high | 10 Ų | 10 | 56.3 Ų | 56.3 | 4% | 0.039 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.7 | -43.6 | -177.9 | -170.1 | -109 | 0 | 0 | 0 | 112.3 | F115 I117 Y141 L142 A147 Q148 L149 D213 | F115-Y145 HydrophobicContact CE2-CE1 4.02Å; F115-Y145 HydrophobicContact CZ-CE1 4.13Å; I117-Y145 HydrophobicContact CD1-CD1 3.89Å; I117-Y145 HydrophobicContact CD1-CE1 3.87Å; Y141-Y145 HydrophobicContact CE1-CD2 4.42Å; Y141-Y145 VanDerWaalsContact O-CB 3.28Å; Y141-Y145 WeakPolarHBondContact O-CB 3.22Å; Y141-Y145 PolarHBondContact O-N 2.73Å; L142-Y145 PolarHBondContact O-N 2.78Å; Y145-A147 VanDerWaalsContact C-N 3.33Å; Y145-A147 PolarHBondContact O-N 3.48Å; Y145-Q148 PolarHBondContact O-N 3.47Å; Y145-L149 HydrophobicContact CD1-CD1 3.88Å; Y145-L149 HydrophobicContact CE1-CD1 3.67Å; Y145-L149 HydrophobicContact CE1-CG 4.43Å; Y145-L149 WeakPolarHBondContact O-CG 3.24Å; Y145-L149 PolarHBondContact O-N 3.39Å; Y145-D213 WeakPolarHBondContact CE2-OD2 3.47Å; Y145-D213 PolarHBondContact OH-OD2 3.43Å |
| 146 | L | 94 | Very high | 92.6 | Very high | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.01 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.2 | -32.6 | 174.3 | -66.1 | 173.4 | 0 | 0 | 0 | 112.5 | P100 F106 I117 L142 I144 K150 I156 | P100-L146 HydrophobicContact CB-CD1 3.81Å; P100-L146 HydrophobicContact CG-CD1 4.31Å; F106-L146 HydrophobicContact CD1-CD1 4.34Å; F106-L146 HydrophobicContact CD2-CD1 4.13Å; F106-L146 HydrophobicContact CE1-CD1 4.05Å; F106-L146 HydrophobicContact CE2-CD1 3.85Å; F106-L146 HydrophobicContact CG-CD1 4.37Å; F106-L146 HydrophobicContact CG-CD2 4.39Å; F106-L146 HydrophobicContact CZ-CD1 3.81Å; I117-L146 HydrophobicContact CD1-CD2 4.28Å; L142-L146 HydrophobicContact CD1-CD1 3.9Å; L142-L146 HydrophobicContact CD1-CG 4.21Å; L142-L146 HydrophobicContact CG-CD1 3.96Å; L142-L146 WeakPolarHBondContact O-CB 3.08Å; L142-L146 VanDerWaalsContact O-CG 3.28Å; L142-L146 WeakPolarHBondContact O-CG 3.43Å; L142-L146 PolarHBondContact O-N 2.88Å; I144-L146 PolarHBondContact O-N 2.89Å; L146-K150 WeakPolarHBondContact O-CB 3.48Å; L146-K150 PolarHBondContact O-N 3.38Å; L146-K150 VanDerWaalsContact O-N 3.16Å; L146-I156 HydrophobicContact CB-CD1 4.37Å; L146-I156 HydrophobicContact CD2-CD1 4.17Å; L146-I156 HydrophobicContact CD2-CG2 3.96Å; L146-I156 WeakPolarHBondContact O-CD1 3.4Å |
| 147 | A | 92.3 | Very high | 92.8 | Very high | 54 Ų | 54 | 53.3 Ų | 53.3 | 45% | 0.446 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -69.1 | -41.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | A143 I144 Y145 K150 E151 | A143-A147 VanDerWaalsContact O-CB 3.32Å; A143-A147 WeakPolarHBondContact O-CB 3.2Å; A143-A147 PolarHBondContact O-N 2.99Å; A143-A147 VanDerWaalsContact O-N 3.1Å; I144-A147 WeakPolarHBondContact O-CB 3.47Å; I144-A147 PolarHBondContact O-N 2.87Å; I144-A147 VanDerWaalsContact O-N 3.12Å; Y145-A147 VanDerWaalsContact C-N 3.33Å; Y145-A147 PolarHBondContact O-N 3.48Å; A147-K150 PolarHBondContact O-N 3.16Å; A147-E151 PolarHBondContact O-N 3.12Å |
| 148 | Q | 92.4 | Very high | 93 | Very high | 60 Ų | 60 | 53 Ų | 53 | 28% | 0.28 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.6 | -52.7 | 174.8 | 178.2 | -179.4 | -13.4 | 0 | 0 | 111.2 | I144 Y145 K150 E151 E152 | I144-Q148 PolarHBondContact O-N 3.16Å; Y145-Q148 PolarHBondContact O-N 3.47Å; Q148-K150 PolarHBondContact O-N 3.34Å; Q148-E151 PolarHBondContact O-N 2.98Å; Q148-E152 HydrophobicContact CG-CG 4.42Å; Q148-E152 VanDerWaalsContact CG-OE1 3.28Å; Q148-E152 WeakPolarHBondContact CG-OE1 3.23Å; Q148-E152 PolarHBondContact NE2-OE1 2.84Å; Q148-E152 WeakPolarHBondContact O-CG 3.16Å; Q148-E152 PolarHBondContact O-N 3.46Å |
| 149 | L | 92 | Very high | 93.1 | Very high | 4 Ų | 4 | 50.6 Ų | 50.6 | 2% | 0.021 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -54.6 | -40.1 | 178 | -76 | 173.6 | 0 | 0 | 0 | 111.8 | C108 Y110 F115 Y145 G153 N154 I156 | C108-L149 HydrophobicContact CB-CD1 4.17Å; Y110-L149 HydrophobicContact CD2-CD2 3.65Å; Y110-L149 HydrophobicContact CE2-CD2 4.33Å; Y110-L149 HydrophobicContact CG-CD2 4.4Å; F115-L149 HydrophobicContact CZ-CD1 4.18Å; Y145-L149 HydrophobicContact CD1-CD1 3.88Å; Y145-L149 HydrophobicContact CE1-CD1 3.67Å; Y145-L149 HydrophobicContact CE1-CG 4.43Å; Y145-L149 WeakPolarHBondContact O-CG 3.24Å; Y145-L149 PolarHBondContact O-N 3.39Å; L149-G153 PolarHBondContact O-N 2.91Å; L149-N154 HydrophobicContact CB-CB 4.34Å; L149-N154 HydrophobicContact CD2-CB 4.21Å; L149-N154 VanDerWaalsContact O-CB 3.24Å; L149-N154 WeakPolarHBondContact O-CB 3.37Å; L149-N154 PolarHBondContact O-N 2.98Å; L149-N154 PolarHBondContact O-ND2 3.33Å; L149-I156 HydrophobicContact CB-CD1 3.77Å; L149-I156 HydrophobicContact CB-CG1 4.16Å |
| 150 | K | 91 | Very high | 93.1 | Very high | 88 Ų | 88 | 46.9 Ų | 46.9 | 38% | 0.383 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.4 | -43.9 | 174.9 | 166.3 | -178.7 | 164.8 | -73.2 | 0 | 112.5 | F86 L87 L146 A147 Q148 G153 I156 | F86-K150 HydrophobicContact CE1-CD 4.32Å; L87-K150 HydrophobicContact CD2-CD 3.84Å; L87-K150 HydrophobicContact CD2-CG 4.21Å; L146-K150 WeakPolarHBondContact O-CB 3.48Å; L146-K150 PolarHBondContact O-N 3.38Å; L146-K150 VanDerWaalsContact O-N 3.16Å; A147-K150 PolarHBondContact O-N 3.16Å; Q148-K150 PolarHBondContact O-N 3.34Å; K150-G153 PolarHBondContact O-N 3.04Å; K150-G153 VanDerWaalsContact O-N 3.15Å; K150-I156 HydrophobicContact CB-CD1 4.2Å |
| 151 | E | 91.5 | Very high | 93.2 | Very high | 154 Ų | 154 | 43.7 Ų | 43.7 | 72% | 0.72 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -69.9 | -36.2 | -176.9 | -163.9 | 60.3 | -153.7 | 0 | 0 | 112 | A147 Q148 G153 | A147-E151 PolarHBondContact O-N 3.12Å; Q148-E151 PolarHBondContact O-N 2.98Å; E151-G153 PolarHBondContact O-N 3.48Å; E151-G153 VanDerWaalsContact O-N 3.16Å |
| 152 | E | 91.1 | Very high | 93.1 | Very high | 90 Ų | 90 | 47 Ų | 47 | 42% | 0.421 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -3.4 | 171.1 | -68.3 | 171.7 | -179.6 | 0 | 0 | 113.6 | Y110 Q148 N154 | Y110-E152 WeakPolarHBondContact CE2-OE2 3.49Å; Q148-E152 HydrophobicContact CG-CG 4.42Å; Q148-E152 VanDerWaalsContact CG-OE1 3.28Å; Q148-E152 WeakPolarHBondContact CG-OE1 3.23Å; Q148-E152 PolarHBondContact NE2-OE1 2.84Å; Q148-E152 WeakPolarHBondContact O-CG 3.16Å; Q148-E152 PolarHBondContact O-N 3.46Å; E152-N154 WeakPolarHBondContact CB-ND2 3.44Å; E152-N154 PolarHBondContact OE2-ND2 2.85Å; E152-N154 VanDerWaalsContact OE2-ND2 3.08Å |
| 153 | G | 89.6 | Confident | 93 | Very high | 62 Ų | 62 | 48.2 Ų | 48.2 | 64% | 0.639 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80 | 13.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | L149 K150 E151 | L149-G153 PolarHBondContact O-N 2.91Å; K150-G153 PolarHBondContact O-N 3.04Å; K150-G153 VanDerWaalsContact O-N 3.15Å; E151-G153 PolarHBondContact O-N 3.48Å; E151-G153 VanDerWaalsContact O-N 3.16Å |
| 154 | N | 92 | Very high | 92.9 | Very high | 33 Ų | 33 | 47.3 Ų | 47.3 | 18% | 0.176 | 28% | 0.279 | C | S | . | . | trans | -72.4 | 150.8 | 178.8 | -62.7 | -72.3 | 0 | 0 | 0 | 111.8 | H109 Y110 L149 E152 I156 | H109-N154 WeakPolarHBondContact O-CB 3.19Å; Y110-N154 WeakPolarHBondContact CD2-ND2 3.37Å; Y110-N154 WeakPolarHBondContact CD2-OD1 3.45Å; L149-N154 HydrophobicContact CB-CB 4.34Å; L149-N154 HydrophobicContact CD2-CB 4.21Å; L149-N154 VanDerWaalsContact O-CB 3.24Å; L149-N154 WeakPolarHBondContact O-CB 3.37Å; L149-N154 PolarHBondContact O-N 2.98Å; L149-N154 PolarHBondContact O-ND2 3.33Å; E152-N154 WeakPolarHBondContact CB-ND2 3.44Å; E152-N154 PolarHBondContact OE2-ND2 2.85Å; E152-N154 VanDerWaalsContact OE2-ND2 3.08Å; N154-I156 PolarHBondContact O-N 3.28Å | ||
| 155 | S | 93.4 | Very high | 92.7 | Very high | 58 Ų | 58 | 52.7 Ų | 52.7 | 41% | 0.406 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 116.3 | -179.5 | -61.5 | 0 | 0 | 0 | 0 | 111 | H109 | H109-S155 PolarHBondContact N-O 2.87Å; H109-S155 PolarHBondContact O-N 3.18Å |
| 156 | I | 95.5 | Very high | 92.4 | Very high | 9 Ų | 9 | 53 Ų | 53 | 5% | 0.046 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 137.3 | 175.5 | -53.5 | 170.5 | 0 | 0 | 0 | 108.6 | F86 F106 L146 L149 K150 N154 | F86-I156 HydrophobicContact CB-CB 3.74Å; F86-I156 HydrophobicContact CB-CG2 3.83Å; F86-I156 WeakPolarHBondContact CB-O 3.39Å; F86-I156 HydrophobicContact CD1-CB 4.32Å; F86-I156 HydrophobicContact CD1-CD1 4.17Å; F86-I156 HydrophobicContact CD1-CG2 4.43Å; F86-I156 HydrophobicContact CD2-CG2 4.19Å; F86-I156 HydrophobicContact CE1-CD1 4.39Å; F86-I156 HydrophobicContact CG-CB 4.11Å; F86-I156 HydrophobicContact CG-CG2 3.94Å; F86-I156 PolarHBondContact N-O 3.3Å; F106-I156 HydrophobicContact CD1-CG2 4.24Å; L146-I156 HydrophobicContact CB-CD1 4.37Å; L146-I156 HydrophobicContact CD2-CD1 4.17Å; L146-I156 HydrophobicContact CD2-CG2 3.96Å; L146-I156 WeakPolarHBondContact O-CD1 3.4Å; L149-I156 HydrophobicContact CB-CD1 3.77Å; L149-I156 HydrophobicContact CB-CG1 4.16Å; K150-I156 HydrophobicContact CB-CD1 4.2Å; N154-I156 PolarHBondContact O-N 3.28Å |
| 157 | F | 96.7 | Very high | 92.1 | Very high | 22 Ų | 22 | 59.4 Ų | 59.4 | 10% | 0.096 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 141.4 | 177.3 | -54.3 | -93.8 | 0 | 0 | 0 | 110.7 | V69 L83 V84 P85 F106 I107 W114 | V69-F157 HydrophobicContact CG2-CE1 3.91Å; V69-F157 HydrophobicContact CG2-CE2 4.27Å; V69-F157 HydrophobicContact CG2-CZ 3.69Å; L83-F157 HydrophobicContact CD1-CB 3.37Å; L83-F157 HydrophobicContact CD1-CD1 4.34Å; L83-F157 HydrophobicContact CD1-CG 3.93Å; L83-F157 HydrophobicContact CD2-CD1 4.23Å; L83-F157 HydrophobicContact CD2-CG 4.39Å; L83-F157 HydrophobicContact CG-CB 3.86Å; L83-F157 HydrophobicContact CG-CD1 3.9Å; L83-F157 HydrophobicContact CG-CG 4Å; V84-F157 CarbonylContact O-C 3.53Å; V84-F157 WeakPolarHBondContact O-CA 3.29Å; P85-F157 HydrophobicContact CB-CD1 4.24Å; P85-F157 HydrophobicContact CB-CE1 4.28Å; P85-F157 HydrophobicContact CG-CD1 4.1Å; P85-F157 HydrophobicContact CG-CE1 4.05Å; F106-F157 CarbonylContact C-O 3.53Å; F106-F157 WeakPolarHBondContact CA-O 3.34Å; I107-F157 HydrophobicContact CB-CB 4.48Å; I107-F157 PolarHBondContact N-O 3.45Å; I107-F157 PolarHBondContact O-N 3.46Å; W114-F157 AromaticContact CH2-CE2 3.8Å; W114-F157 HydrophobicContact CH2-CE2 3.8Å; W114-F157 HydrophobicContact CH2-CZ 4.34Å; W114-F157 AromaticContact CZ3-CD2 3.98Å; W114-F157 HydrophobicContact CZ3-CD2 3.98Å; W114-F157 AromaticContact CZ3-CE2 3.61Å; W114-F157 HydrophobicContact CZ3-CE2 3.61Å |
| 158 | I | 95.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 137.7 | 176.9 | -54.7 | 147.4 | 0 | 0 | 0 | 107.8 | V84 F86 A93 A96 Q103 F106 T160 | V84-I158 HydrophobicContact CB-CB 4.46Å; V84-I158 PolarHBondContact N-O 3.49Å; V84-I158 PolarHBondContact O-N 3.37Å; F86-I158 HydrophobicContact CB-CD1 4.49Å; F86-I158 HydrophobicContact CD2-CD1 3.96Å; F86-I158 HydrophobicContact CD2-CG1 3.93Å; A93-I158 HydrophobicContact CB-CD1 3.85Å; A96-I158 HydrophobicContact CB-CD1 3.47Å; A96-I158 VanDerWaalsContact CB-CD1 3.47Å; A96-I158 HydrophobicContact CB-CG1 3.82Å; A96-I158 HydrophobicContact CB-CG2 4.42Å; Q103-I158 HydrophobicContact CG-CG2 4.24Å; F106-I158 HydrophobicContact CD1-CG1 4.01Å; F106-I158 HydrophobicContact CE1-CG1 3.84Å; I158-T160 HydrophobicContact CG2-CG2 4.39Å |
| 159 | I | 96 | Very high | 91.8 | Very high | 3 Ų | 3 | 55.9 Ų | 55.9 | 2% | 0.015 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 112.2 | 174.8 | -54.7 | -62.6 | 0 | 0 | 0 | 109.5 | L22 L76 L81 L83 A105 I107 L163 | L22-I159 HydrophobicContact CD1-CG1 4.1Å; L22-I159 HydrophobicContact CD2-CD1 3.78Å; L22-I159 HydrophobicContact CD2-CG1 3.79Å; L22-I159 HydrophobicContact CD2-CG2 4.4Å; L76-I159 HydrophobicContact CD1-CD1 3.7Å; L81-I159 HydrophobicContact CB-CG2 4.34Å; L81-I159 HydrophobicContact CD1-CG2 4.3Å; L81-I159 HydrophobicContact CD2-CG2 4.28Å; L83-I159 HydrophobicContact CD1-CD1 3.55Å; A105-I159 HydrophobicContact CB-CB 4.22Å; A105-I159 HydrophobicContact CB-CG1 4.16Å; A105-I159 PolarHBondContact O-N 2.99Å; I107-I159 HydrophobicContact CD1-CD1 3.87Å; I107-I159 HydrophobicContact CG1-CD1 3.98Å; I107-I159 HydrophobicContact CG1-CG1 4.36Å; I159-L163 HydrophobicContact CG2-CD2 4.08Å |
| 160 | T | 93.3 | Very high | 91.5 | Very high | 25 Ų | 25 | 61.3 Ų | 61.3 | 15% | 0.153 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 143.2 | 174.1 | 53.4 | 0 | 0 | 0 | 0 | 110.3 | L81 E82 V84 E92 I158 | L81-T160 WeakPolarHBondContact CA-O 3.25Å; E82-T160 WeakPolarHBondContact CB-OG1 3.3Å; E82-T160 PolarHBondContact N-O 3.22Å; E82-T160 PolarHBondContact O-N 3.39Å; E82-T160 PolarHBondContact O-OG1 3.17Å; V84-T160 HydrophobicContact CG2-CG2 3.98Å; E92-T160 HydrophobicContact CB-CG2 4.25Å; E92-T160 HydrophobicContact CG-CG2 4.14Å; I158-T160 HydrophobicContact CG2-CG2 4.39Å |
| 161 | G | 92 | Very high | 91.3 | Very high | 39 Ų | 39 | 59.9 Ų | 59.9 | 40% | 0.402 | 33% | 0.325 | S | S | . | . | S | Bend | trans | 120 | -170.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 162 | T | 92.8 | Very high | 91.1 | Very high | 126 Ų | 126 | 52.9 Ų | 52.9 | 77% | 0.773 | 29% | 0.292 | S | S | * | . | trans | -102.1 | 107.9 | -178 | -56.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 163 | L | 92.5 | Very high | 90.8 | Very high | 25 Ų | 25 | 50.8 Ų | 50.8 | 13% | 0.131 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 150.2 | 174.1 | -67.5 | 177.2 | 0 | 0 | 0 | 111.2 | L22 L81 N104 A105 R118 I159 | L22-L163 HydrophobicContact CD1-CD1 4.46Å; L22-L163 HydrophobicContact CD1-CD2 3.98Å; L22-L163 HydrophobicContact CG-CD2 4.3Å; L81-L163 HydrophobicContact CD1-CD2 3.79Å; L81-L163 HydrophobicContact CD2-CD2 4.13Å; N104-L163 HydrophobicContact CB-CD1 3.93Å; A105-L163 HydrophobicContact CB-CD1 4.23Å; R118-L163 HydrophobicContact CG-CD1 4.48Å; I159-L163 HydrophobicContact CG2-CD2 4.08Å |
| 164 | P | 91.3 | Very high | 90.5 | Very high | 24 Ų | 24 | 54.9 Ų | 54.9 | 16% | 0.156 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 143.2 | 171.4 | 28.6 | -36 | 0 | 0 | 0 | 110.8 | L23 W79 R118 | L23-P164 HydrophobicContact CB-CG 4.2Å; L23-P164 HydrophobicContact CD2-CG 3.83Å; L23-P164 VanDerWaalsContact O-CG 3.31Å; L23-P164 WeakPolarHBondContact O-CG 3.27Å; W79-P164 HydrophobicContact CZ3-CB 4.32Å; R118-P164 PolarHBondContact NH2-O 3.26Å |
| 165 | R | 87.9 | Confident | 90 | Very high | 219 Ų | 219 | 57.3 Ų | 57.3 | 83% | 0.826 | 31% | 0.312 | S | S | * | . | P | Polyproline II helix | trans | -63.9 | 134.2 | 172.7 | -62.5 | -174.7 | -177.5 | -170.6 | 0.5 | 109.7 | ||
| 166 | C | 88 | Confident | 89.4 | Confident | 15 Ų | 15 | 57.7 Ų | 57.7 | 10% | 0.101 | 31% | 0.313 | C | S | . | . | trans | -120.9 | 156.7 | 167 | 67.7 | 0 | 0 | 0 | 0 | 111.1 | Q24 A168 D169 | Q24-C166 HydrophobicContact CB-CB 3.58Å; Q24-C166 HydrophobicContact CG-CB 4.17Å; C166-A168 PolarHBondContact O-N 3.22Å; C166-D169 PolarHBondContact O-N 3.3Å; C166-D169 VanDerWaalsContact SG-CG 3.55Å; C166-D169 PolarHBondContact SG-N 3.2Å; C166-D169 PolarHBondContact SG-OD2 2.87Å | ||
| 167 | E | 87.2 | Confident | 88.6 | Confident | 138 Ų | 138 | 60.2 Ų | 60.2 | 65% | 0.645 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -61.2 | -31.4 | 176.7 | -173 | 173.2 | 177.6 | 0 | 0 | 111.8 | D169 E170 V171 | E167-D169 VanDerWaalsContact C-N 3.34Å; E167-D169 PolarHBondContact O-N 3.07Å; E167-E170 PolarHBondContact O-N 2.99Å; E167-V171 PolarHBondContact O-N 3.34Å; E167-V171 VanDerWaalsContact O-N 3.11Å |
| 168 | A | 88.3 | Confident | 87.4 | Confident | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.008 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -58.8 | -41.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L3 I4 I120 C166 E170 L172 | L3-A168 HydrophobicContact CG-CB 4.39Å; L3-A168 WeakPolarHBondContact O-CB 3.39Å; I4-A168 HydrophobicContact CG1-CB 4.14Å; I120-A168 HydrophobicContact CG2-CB 3.55Å; C166-A168 PolarHBondContact O-N 3.22Å; A168-E170 VanDerWaalsContact C-N 3.32Å; A168-E170 PolarHBondContact O-N 3.08Å; A168-L172 VanDerWaalsContact O-CB 3.25Å; A168-L172 WeakPolarHBondContact O-CB 3.19Å; A168-L172 WeakPolarHBondContact O-CG 3.19Å; A168-L172 PolarHBondContact O-N 3.07Å |
| 169 | D | 88.9 | Confident | 85.9 | Confident | 39 Ų | 39 | 71.6 Ų | 71.6 | 21% | 0.209 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -62.2 | -40.7 | 178.2 | -79.7 | -41 | 0 | 0 | 0 | 111.4 | R118 I120 G121 C166 E167 S173 | R118-D169 IonicContact CZ-OD2 3.47Å; R118-D169 IonicContact NH2-OD2 2.75Å; R118-D169 PolarHBondContact NH2-OD2 2.89Å; I120-D169 VanDerWaalsContact CA-OD1 3.22Å; I120-D169 WeakPolarHBondContact CA-OD1 3.46Å; I120-D169 WeakPolarHBondContact CG2-OD1 3.19Å; G121-D169 PolarHBondContact N-OD1 3.15Å; C166-D169 PolarHBondContact O-N 3.3Å; C166-D169 VanDerWaalsContact SG-CG 3.55Å; C166-D169 PolarHBondContact SG-N 3.2Å; C166-D169 PolarHBondContact SG-OD2 2.87Å; E167-D169 VanDerWaalsContact C-N 3.34Å; E167-D169 PolarHBondContact O-N 3.07Å; D169-S173 WeakPolarHBondContact O-CB 3.33Å; D169-S173 PolarHBondContact O-N 3.36Å; D169-S173 VanDerWaalsContact O-N 3.16Å; D169-S173 PolarHBondContact O-OG 3.29Å |
| 170 | E | 86.9 | Confident | 83.5 | Confident | 118 Ų | 118 | 78 Ų | 78 | 55% | 0.551 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -69.6 | -44.6 | -178.1 | -60.1 | -170 | 175 | 0 | 0 | 111.3 | E167 A168 | E167-E170 PolarHBondContact O-N 2.99Å; A168-E170 VanDerWaalsContact C-N 3.32Å; A168-E170 PolarHBondContact O-N 3.08Å |
| 171 | V | 87.4 | Confident | 80.8 | Confident | 58 Ų | 58 | 79.9 Ų | 79.9 | 35% | 0.352 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -74.8 | -45 | -178.6 | 176.2 | 0 | 0 | 0 | 0 | 112 | L3 E167 S173 I174 C175 | L3-V171 HydrophobicContact CD1-CB 3.86Å; L3-V171 HydrophobicContact CD1-CG1 3.91Å; L3-V171 HydrophobicContact CD1-CG2 3.96Å; L3-V171 HydrophobicContact CD2-CB 3.88Å; L3-V171 HydrophobicContact CD2-CG1 3.6Å; L3-V171 HydrophobicContact CG-CB 4.38Å; L3-V171 HydrophobicContact CG-CG1 4.39Å; E167-V171 PolarHBondContact O-N 3.34Å; E167-V171 VanDerWaalsContact O-N 3.11Å; V171-S173 VanDerWaalsContact C-N 3.28Å; V171-S173 PolarHBondContact O-N 3.4Å; V171-I174 PolarHBondContact O-N 3.1Å; V171-I174 VanDerWaalsContact O-N 3.08Å; V171-C175 PolarHBondContact O-N 2.87Å |
| 172 | L | 86.9 | Confident | 78.3 | Confident | 6 Ų | 6 | 85.1 Ų | 85.1 | 3% | 0.031 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -72.7 | -18.8 | -179.4 | -63.9 | -178 | 0 | 0 | 0 | 113.6 | L3 I4 I120 F125 A168 I174 C175 V177 | L3-L172 HydrophobicContact CD2-CD1 4.37Å; L3-L172 HydrophobicContact CD2-CD2 3.57Å; L3-L172 HydrophobicContact CD2-CG 3.69Å; I4-L172 HydrophobicContact CD1-CD1 3.91Å; I4-L172 HydrophobicContact CG1-CD1 3.99Å; I120-L172 HydrophobicContact CB-CD1 4.27Å; I120-L172 HydrophobicContact CG2-CD1 3.81Å; F125-L172 HydrophobicContact CE2-CD1 3.78Å; F125-L172 HydrophobicContact CZ-CD1 3.82Å; A168-L172 VanDerWaalsContact O-CB 3.25Å; A168-L172 WeakPolarHBondContact O-CB 3.19Å; A168-L172 WeakPolarHBondContact O-CG 3.19Å; A168-L172 PolarHBondContact O-N 3.07Å; L172-I174 PolarHBondContact O-N 3.4Å; L172-C175 WeakPolarHBondContact CD2-O 3.24Å; L172-V177 HydrophobicContact CD2-CG2 3.71Å |
| 173 | S | 83.5 | Confident | 75.6 | Confident | 46 Ų | 46 | 85.9 Ų | 85.9 | 32% | 0.322 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -27.3 | 168.4 | -70.7 | 0 | 0 | 0 | 0 | 113.2 | G121 K122 D169 V171 | G121-S173 WeakPolarHBondContact CA-OG 3.45Å; K122-S173 PolarHBondContact NZ-O 3.44Å; D169-S173 WeakPolarHBondContact O-CB 3.33Å; D169-S173 PolarHBondContact O-N 3.36Å; D169-S173 VanDerWaalsContact O-N 3.16Å; D169-S173 PolarHBondContact O-OG 3.29Å; V171-S173 VanDerWaalsContact C-N 3.28Å; V171-S173 PolarHBondContact O-N 3.4Å |
| 174 | I | 85.2 | Confident | 73 | Confident | 149 Ų | 149 | 93.7 Ų | 93.7 | 76% | 0.764 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | -47.1 | -178.8 | -58.7 | 170.1 | 0 | 0 | 0 | 110.6 | V171 L172 | V171-I174 PolarHBondContact O-N 3.1Å; V171-I174 VanDerWaalsContact O-N 3.08Å; L172-I174 PolarHBondContact O-N 3.4Å |
| 175 | C | 81.1 | Confident | 70.4 | Confident | 84 Ų | 84 | 97.9 Ų | 97.9 | 57% | 0.568 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -123.6 | 90 | -176.9 | -165.5 | 0 | 0 | 0 | 0 | 109.8 | V171 L172 | V171-C175 PolarHBondContact O-N 2.87Å; L172-C175 WeakPolarHBondContact CD2-O 3.24Å |
| 176 | P | 80.8 | Confident | 68.1 | Low | 66 Ų | 66 | 91.2 Ų | 91.2 | 43% | 0.429 | 51% | 0.512 | S | S | . | . | P | Polyproline II helix | trans | -65 | 144.4 | 175.6 | 27.8 | -34.1 | 0 | 0 | 0 | 110.7 | Q123 L178 | Q123-P176 HydrophobicContact CG-CB 4.43Å; Q123-P176 VanDerWaalsContact OE1-CA 3.24Å; P176-L178 PolarHBondContact O-N 3.19Å |
| 177 | V | 77.8 | Confident | 65.6 | Low | 62 Ų | 62 | 97.1 Ų | 97.1 | 38% | 0.376 | 55% | 0.548 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 128.6 | 173.5 | 179.1 | 0 | 0 | 0 | 0 | 108.9 | Q123 F125 L172 | Q123-V177 PolarHBondContact NE2-O 3.5Å; F125-V177 HydrophobicContact CE1-CG2 4.42Å; F125-V177 HydrophobicContact CZ-CG2 4.09Å; L172-V177 HydrophobicContact CD2-CG2 3.71Å |
| 178 | L | 72.6 | Confident | 63.6 | Low | 145 Ų | 145 | 95.4 Ų | 95.4 | 76% | 0.759 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 137.1 | 170 | -65.2 | 172.2 | 0 | 0 | 0 | 109.3 | P176 D180 | P176-L178 PolarHBondContact O-N 3.19Å; L178-D180 PolarHBondContact O-N 3.24Å |
| 179 | E | 63.5 | Low | 61.3 | Low | 116 Ų | 116 | 102.2 Ų | 102.2 | 54% | 0.542 | 59% | 0.588 | S | S | . | * | trans | -73.6 | 75.7 | 169.7 | -64.5 | -172 | 170.2 | 0 | 0 | 110.4 | L136 G181 | L136-E179 HydrophobicContact CD2-CG 3.49Å; L136-E179 VanDerWaalsContact CD2-CG 3.49Å; E179-G181 VanDerWaalsContact C-N 3.29Å; E179-G181 PolarHBondContact O-N 3.07Å | ||
| 180 | D | 45.2 | Very low | 58.7 | Low | 137 Ų | 137 | 106.4 Ų | 106.4 | 73% | 0.733 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | 81.6 | 175.5 | -132.7 | 3.1 | 0 | 0 | 0 | 109.2 | L178 | L178-D180 PolarHBondContact O-N 3.24Š|
| 181 | G | 37.6 | Very low | 56.6 | Low | 65 Ų | 65 | 106.2 Ų | 106.2 | 67% | 0.67 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -165.2 | -42.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | E179 T183 | E179-G181 VanDerWaalsContact C-N 3.29Å; E179-G181 PolarHBondContact O-N 3.07Å; G181-T183 PolarHBondContact O-N 3.1Å |
| 182 | L | 39.4 | Very low | 54.3 | Low | 148 Ų | 148 | 112.2 Ų | 112.2 | 78% | 0.775 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -100.2 | 85.2 | -178 | -66.1 | 172.7 | 0 | 0 | 0 | 111.3 | ||
| 183 | T | 36.8 | Very low | 51.9 | Low | 142 Ų | 142 | 117.2 Ų | 117.2 | 87% | 0.871 | 68% | 0.682 | S | S | * | * | S | Bend | trans | 151 | -11.8 | 154 | 43.4 | 0 | 0 | 0 | 0 | 113.8 | G181 S185 | G181-T183 PolarHBondContact O-N 3.1Å; T183-S185 PolarHBondContact O-N 2.95Å |
| 184 | R | 37.3 | Very low | 50.3 | Low | 189 Ų | 189 | 123.7 Ų | 123.7 | 71% | 0.713 | 71% | 0.707 | S | S | * | * | trans | -84.8 | 44.4 | -178.4 | -157 | 172.4 | 169.8 | -179.7 | -4.5 | 114.5 | S186 | R184-S186 PolarHBondContact O-N 3.07Å; R184-S186 PolarHBondContact O-OG 2.99Å | ||
| 185 | S | 36.1 | Very low | 48.7 | Very low | 113 Ų | 113 | 123.6 Ų | 123.6 | 79% | 0.79 | 70% | 0.701 | S | S | * | * | trans | -64.6 | 91 | 160.3 | -76.9 | 0 | 0 | 0 | 0 | 108.6 | T183 T187 | T183-S185 PolarHBondContact O-N 2.95Å; S185-T187 PolarHBondContact O-N 3.37Å | ||
| 186 | S | 39.4 | Very low | 47.4 | Very low | 79 Ų | 79 | 124.1 Ų | 124.1 | 55% | 0.552 | 71% | 0.705 | S | S | * | * | trans | -66.1 | 105 | -175.9 | -64.3 | 0 | 0 | 0 | 0 | 109.5 | R184 S188 | R184-S186 PolarHBondContact O-N 3.07Å; R184-S186 PolarHBondContact O-OG 2.99Å; S186-S188 PolarHBondContact O-N 3.42Å | ||
| 187 | T | 35.5 | Very low | 46.5 | Very low | 139 Ų | 139 | 126 Ų | 126 | 85% | 0.853 | 72% | 0.716 | S | S | * | * | trans | -71.7 | 54.8 | 169.9 | 41 | 0 | 0 | 0 | 0 | 111.2 | S185 | S185-T187 PolarHBondContact O-N 3.37Š| ||
| 188 | S | 45.1 | Very low | 45.7 | Very low | 101 Ų | 101 | 129.5 Ų | 129.5 | 71% | 0.706 | 73% | 0.728 | S | S | * | * | trans | -93.3 | 96.4 | 170.4 | 56.4 | 0 | 0 | 0 | 0 | 109.6 | S186 | S186-S188 PolarHBondContact O-N 3.42Š| ||
| 189 | N | 40.7 | Very low | 45.3 | Very low | 145 Ų | 145 | 126.8 Ų | 126.8 | 78% | 0.775 | 72% | 0.718 | S | S | * | * | trans | -37 | 142 | 175.2 | -72.9 | -33.4 | 0 | 0 | 0 | 116.4 | ||||
| 190 | T | 34 | Very low | 45.3 | Very low | 126 Ų | 126 | 126.6 Ų | 126.6 | 77% | 0.773 | 72% | 0.72 | S | S | * | * | trans | 66.2 | 103.5 | 141.8 | -50.8 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 191 | S | 41.9 | Very low | 46.4 | Very low | 115 Ų | 115 | 124.6 Ų | 124.6 | 80% | 0.804 | 71% | 0.713 | S | S | * | * | -169.4 | 148.5 | 107.8 | -77.1 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 192 | Q | 39.9 | Very low | 47.7 | Very low | 183 Ų | 183 | 124 Ų | 124 | 86% | 0.855 | 70% | 0.701 | S | S | * | * | trans | -59 | 149.4 | 167.8 | -61.9 | 141.3 | -23 | 0 | 0 | 108.4 | ||||
| 193 | T | 36.6 | Very low | 49 | Very low | 112 Ų | 112 | 122.8 Ų | 122.8 | 69% | 0.687 | 70% | 0.695 | S | S | * | * | -170.2 | 171.4 | 54.8 | -39.3 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 194 | E | 49.2 | Very low | 50.3 | Low | 181 Ų | 181 | 119 Ų | 119 | 85% | 0.846 | 68% | 0.678 | S | S | * | * | trans | 61.4 | 56 | 162.9 | -54.2 | -175.1 | -169.9 | 0 | 0 | 118.1 | ||||
| 195 | K | 51.4 | Low | 51.7 | Low | 148 Ų | 148 | 113.7 Ų | 113.7 | 64% | 0.643 | 67% | 0.666 | S | S | * | * | trans | -110.6 | -16.3 | -177.7 | -87.4 | -170.1 | 171.1 | -173.4 | 0 | 119.3 | T197 E198 V199 | K195-T197 VanDerWaalsContact C-N 3.29Å; K195-T197 PolarHBondContact O-N 3.44Å; K195-T197 VanDerWaalsContact O-N 3.1Å; K195-E198 PolarHBondContact O-N 3.26Å; K195-V199 HydrophobicContact CB-CG2 4.42Å; K195-V199 WeakPolarHBondContact O-CG2 3.23Å; K195-V199 PolarHBondContact O-N 3.25Å | ||
| 196 | S | 55.4 | Low | 52.9 | Low | 94 Ų | 94 | 112.2 Ų | 112.2 | 66% | 0.657 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -54 | -39.8 | -167.4 | -54.3 | 0 | 0 | 0 | 0 | 114.5 | D200 | S196-D200 PolarHBondContact O-N 2.89Å |
| 197 | T | 61 | Low | 54 | Low | 107 Ų | 107 | 115.8 Ų | 115.8 | 66% | 0.656 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -74.6 | -32.2 | -179.4 | 50.4 | 0 | 0 | 0 | 0 | 114 | K195 V201 | K195-T197 VanDerWaalsContact C-N 3.29Å; K195-T197 PolarHBondContact O-N 3.44Å; K195-T197 VanDerWaalsContact O-N 3.1Å; T197-V201 VanDerWaalsContact O-CG2 3.26Å; T197-V201 WeakPolarHBondContact O-CG2 3.46Å; T197-V201 PolarHBondContact O-N 2.9Å |
| 198 | E | 61.3 | Low | 55.1 | Low | 134 Ų | 134 | 113.1 Ų | 113.1 | 63% | 0.626 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -76.1 | -36.7 | -180 | -76.5 | -169.8 | 147.9 | 0 | 0 | 112.2 | K195 V201 A202 | K195-E198 PolarHBondContact O-N 3.26Å; E198-V201 PolarHBondContact O-N 2.92Å; E198-A202 VanDerWaalsContact O-CB 3.27Å; E198-A202 WeakPolarHBondContact O-CB 3.28Å; E198-A202 PolarHBondContact O-N 2.93Å |
| 199 | V | 64.1 | Low | 55.6 | Low | 89 Ų | 89 | 113.6 Ų | 113.6 | 54% | 0.539 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -68.1 | -39.7 | 175.5 | -111.9 | 0 | 0 | 0 | 0 | 111.8 | K195 A202 L203 | K195-V199 HydrophobicContact CB-CG2 4.42Å; K195-V199 WeakPolarHBondContact O-CG2 3.23Å; K195-V199 PolarHBondContact O-N 3.25Å; V199-A202 PolarHBondContact O-N 3.13Å; V199-L203 VanDerWaalsContact O-CB 3.22Å; V199-L203 WeakPolarHBondContact O-CB 3.34Å; V199-L203 PolarHBondContact O-N 3.35Å |
| 200 | D | 63.2 | Low | 56.4 | Low | 112 Ų | 112 | 108 Ų | 108 | 60% | 0.599 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -64.8 | -40 | 176.7 | -71.5 | -19.2 | 0 | 0 | 0 | 111.6 | S196 A204 | S196-D200 PolarHBondContact O-N 2.89Å; D200-A204 VanDerWaalsContact O-CB 3.26Å; D200-A204 WeakPolarHBondContact O-CB 3.43Å; D200-A204 PolarHBondContact O-N 3.26Å |
| 201 | V | 69 | Low | 57.7 | Low | 95 Ų | 95 | 104.2 Ų | 104.2 | 58% | 0.576 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -67.9 | -45 | 174.6 | 170.4 | 0 | 0 | 0 | 0 | 111.4 | T197 E198 L203 A204 V205 | T197-V201 VanDerWaalsContact O-CG2 3.26Å; T197-V201 WeakPolarHBondContact O-CG2 3.46Å; T197-V201 PolarHBondContact O-N 2.9Å; E198-V201 PolarHBondContact O-N 2.92Å; V201-L203 VanDerWaalsContact C-N 3.34Å; V201-L203 PolarHBondContact O-N 2.89Å; V201-A204 PolarHBondContact O-N 2.94Å; V201-V205 HydrophobicContact CG1-CG2 4.47Å; V201-V205 WeakPolarHBondContact O-CG2 3.36Å; V201-V205 PolarHBondContact O-N 2.86Å |
| 202 | A | 65.3 | Low | 58.8 | Low | 52 Ų | 52 | 102.5 Ų | 102.5 | 43% | 0.43 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -61.7 | -42.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | E198 V199 V205 S206 | E198-A202 VanDerWaalsContact O-CB 3.27Å; E198-A202 WeakPolarHBondContact O-CB 3.28Å; E198-A202 PolarHBondContact O-N 2.93Å; V199-A202 PolarHBondContact O-N 3.13Å; A202-V205 PolarHBondContact O-N 3.38Å; A202-S206 PolarHBondContact O-N 3.49Å; A202-S206 PolarHBondContact O-OG 2.85Å |
| 203 | L | 66.7 | Low | 59.8 | Low | 123 Ų | 123 | 95.8 Ų | 95.8 | 64% | 0.644 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -66.7 | -37.7 | 176.4 | -167.3 | 71.7 | 0 | 0 | 0 | 111.9 | V199 V201 K207 | V199-L203 VanDerWaalsContact O-CB 3.22Å; V199-L203 WeakPolarHBondContact O-CB 3.34Å; V199-L203 PolarHBondContact O-N 3.35Å; V201-L203 VanDerWaalsContact C-N 3.34Å; V201-L203 PolarHBondContact O-N 2.89Å; L203-K207 VanDerWaalsContact O-CB 3.23Å; L203-K207 WeakPolarHBondContact O-CB 3.35Å; L203-K207 PolarHBondContact O-N 3.31Å |
| 204 | A | 64.1 | Low | 61.2 | Low | 63 Ų | 63 | 93.4 Ų | 93.4 | 52% | 0.521 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.1 | -37.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | D200 V201 K207 A208 | D200-A204 VanDerWaalsContact O-CB 3.26Å; D200-A204 WeakPolarHBondContact O-CB 3.43Å; D200-A204 PolarHBondContact O-N 3.26Å; V201-A204 PolarHBondContact O-N 2.94Å; A204-K207 PolarHBondContact O-N 3.46Å; A204-A208 WeakPolarHBondContact O-CB 3.42Å; A204-A208 PolarHBondContact O-N 3.44Å |
| 205 | V | 65.6 | Low | 61.9 | Low | 76 Ų | 76 | 87.9 Ų | 87.9 | 46% | 0.461 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.6 | -52.2 | 173.7 | 170.6 | 0 | 0 | 0 | 0 | 110.3 | V201 A202 K207 A208 D209 | V201-V205 HydrophobicContact CG1-CG2 4.47Å; V201-V205 WeakPolarHBondContact O-CG2 3.36Å; V201-V205 PolarHBondContact O-N 2.86Å; A202-V205 PolarHBondContact O-N 3.38Å; V205-K207 PolarHBondContact O-N 3.36Å; V205-K207 VanDerWaalsContact O-N 3.13Å; V205-A208 WeakPolarHBondContact O-CA 3.5Å; V205-A208 WeakPolarHBondContact O-CB 3.36Å; V205-A208 PolarHBondContact O-N 2.86Å; V205-D209 WeakPolarHBondContact CG1-OD2 3.25Å; V205-D209 PolarHBondContact O-N 2.77Å |
| 206 | S | 61.4 | Low | 62.7 | Low | 83 Ų | 83 | 82.7 Ų | 82.7 | 58% | 0.58 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -59.9 | -26.5 | 176.5 | -62.6 | 0 | 0 | 0 | 0 | 113.7 | A202 A210 | A202-S206 PolarHBondContact O-N 3.49Å; A202-S206 PolarHBondContact O-OG 2.85Å; S206-A210 PolarHBondContact O-N 2.77Å |
| 207 | K | 62.7 | Low | 63.2 | Low | 154 Ų | 154 | 81 Ų | 81 | 67% | 0.67 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -83.8 | -21.4 | 174 | -168.6 | 165.5 | -173.3 | 169.2 | 0 | 113.7 | L203 A204 V205 | L203-K207 VanDerWaalsContact O-CB 3.23Å; L203-K207 WeakPolarHBondContact O-CB 3.35Å; L203-K207 PolarHBondContact O-N 3.31Å; A204-K207 PolarHBondContact O-N 3.46Å; V205-K207 PolarHBondContact O-N 3.36Å; V205-K207 VanDerWaalsContact O-N 3.13Å |
| 208 | A | 57.5 | Low | 63.6 | Low | 83 Ų | 83 | 81 Ų | 81 | 69% | 0.686 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -80.7 | -30.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112 | A204 V205 A210 | A204-A208 WeakPolarHBondContact O-CB 3.42Å; A204-A208 PolarHBondContact O-N 3.44Å; V205-A208 WeakPolarHBondContact O-CA 3.5Å; V205-A208 WeakPolarHBondContact O-CB 3.36Å; V205-A208 PolarHBondContact O-N 2.86Å; A208-A210 VanDerWaalsContact C-N 3.31Å |
| 209 | D | 57.1 | Low | 63.9 | Low | 111 Ų | 111 | 80.2 Ų | 80.2 | 59% | 0.594 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -84.7 | 1.2 | 173.3 | -65.7 | -36.4 | 0 | 0 | 0 | 113.3 | V205 D211 | V205-D209 WeakPolarHBondContact CG1-OD2 3.25Å; V205-D209 PolarHBondContact O-N 2.77Å; D209-D211 PolarHBondContact O-N 2.99Å |
| 210 | A | 57.2 | Low | 64.1 | Low | 26 Ų | 26 | 80.1 Ų | 80.1 | 22% | 0.215 | 45% | 0.45 | C | S | . | . | trans | -84.8 | 104.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | S206 A208 Q215 | S206-A210 PolarHBondContact O-N 2.77Å; A208-A210 VanDerWaalsContact C-N 3.31Å; A210-Q215 HydrophobicContact CB-CG 4.49Å; A210-Q215 PolarHBondContact O-NE2 3.21Å | ||
| 211 | D | 60.7 | Low | 64.3 | Low | 47 Ų | 47 | 80.3 Ų | 80.3 | 25% | 0.251 | 45% | 0.45 | S | S | . | . | trans | -51.1 | 151.7 | 173.6 | -58.7 | -46.6 | 0 | 0 | 0 | 112.1 | L131 K135 D209 D213 D214 Q215 | L131-D211 VanDerWaalsContact CD2-CG 3.48Å; L131-D211 WeakPolarHBondContact CD2-OD1 3.26Å; L131-D211 WeakPolarHBondContact CD2-OD2 3.34Å; K135-D211 IonicContact NZ-OD2 2.8Å; K135-D211 PolarHBondContact NZ-OD2 3.33Å; D209-D211 PolarHBondContact O-N 2.99Å; D211-D213 PolarHBondContact O-N 2.98Å; D211-D214 PolarHBondContact O-N 2.9Å; D211-Q215 PolarHBondContact O-N 3.37Å | ||
| 212 | D | 64.7 | Low | 64.1 | Low | 80 Ų | 80 | 80.3 Ų | 80.3 | 43% | 0.428 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -64.5 | -23.8 | 177.6 | -165.6 | 37.7 | 0 | 0 | 0 | 112.7 | Q215 T216 R219 | D212-Q215 PolarHBondContact O-N 3.38Å; D212-T216 VanDerWaalsContact O-CB 3.3Å; D212-T216 WeakPolarHBondContact O-CB 3.28Å; D212-T216 PolarHBondContact O-N 3.01Å; D212-T216 PolarHBondContact O-OG1 3.4Å; D212-R219 IonicContact OD1-CZ 3.83Å; D212-R219 IonicContact OD1-NH1 3.41Å; D212-R219 PolarHBondContact OD1-NH1 3.05Å; D212-R219 IonicContact OD1-NH2 3.21Å; D212-R219 PolarHBondContact OD1-NH2 3.34Å |
| 213 | D | 61.5 | Low | 63.9 | Low | 42 Ų | 42 | 80.6 Ų | 80.6 | 23% | 0.225 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -60.1 | -47.2 | 168.1 | -73.7 | -4.2 | 0 | 0 | 0 | 111.1 | Y145 D211 T216 L217 | Y145-D213 WeakPolarHBondContact CE2-OD2 3.47Å; Y145-D213 PolarHBondContact OH-OD2 3.43Å; D211-D213 PolarHBondContact O-N 2.98Å; D213-T216 PolarHBondContact O-N 2.83Å; D213-L217 PolarHBondContact O-N 2.98Å |
| 214 | D | 66.2 | Low | 63.5 | Low | 62 Ų | 62 | 78 Ų | 78 | 33% | 0.332 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -72.5 | -34.2 | 179.6 | -70.4 | -7.7 | 0 | 0 | 0 | 111.1 | K135 D211 T216 Q218 | K135-D214 IonicContact NZ-OD1 3.08Å; K135-D214 PolarHBondContact NZ-OD1 3.37Å; K135-D214 IonicContact NZ-OD2 3.39Å; K135-D214 PolarHBondContact NZ-OD2 2.91Å; D211-D214 PolarHBondContact O-N 2.9Å; D214-T216 VanDerWaalsContact C-N 3.3Å; D214-Q218 WeakPolarHBondContact O-CB 3.4Å; D214-Q218 PolarHBondContact O-N 2.92Å |
| 215 | Q | 64.3 | Low | 63.2 | Low | 65 Ų | 65 | 81.5 Ų | 81.5 | 30% | 0.304 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -65.1 | -35.8 | 170.9 | -64 | -177.9 | 48.1 | 0 | 0 | 111.7 | A210 D211 D212 Q218 R219 | A210-Q215 HydrophobicContact CB-CG 4.49Å; A210-Q215 PolarHBondContact O-NE2 3.21Å; D211-Q215 PolarHBondContact O-N 3.37Å; D212-Q215 PolarHBondContact O-N 3.38Å; Q215-Q218 PolarHBondContact O-N 3.28Å; Q215-R219 WeakPolarHBondContact O-CB 3.4Å; Q215-R219 WeakPolarHBondContact O-CG 3.28Å; Q215-R219 PolarHBondContact O-N 3.24Å; Q215-R219 VanDerWaalsContact OE1-NH2 3.15Å |
| 216 | T | 67 | Low | 62.7 | Low | 39 Ų | 39 | 83.9 Ų | 83.9 | 24% | 0.239 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -71.1 | -44.3 | 177.3 | -62.1 | 0 | 0 | 0 | 0 | 111.2 | D212 D213 D214 Q218 R219 I220 | D212-T216 VanDerWaalsContact O-CB 3.3Å; D212-T216 WeakPolarHBondContact O-CB 3.28Å; D212-T216 PolarHBondContact O-N 3.01Å; D212-T216 PolarHBondContact O-OG1 3.4Å; D213-T216 PolarHBondContact O-N 2.83Å; D214-T216 VanDerWaalsContact C-N 3.3Å; T216-Q218 VanDerWaalsContact C-N 3.33Å; T216-Q218 PolarHBondContact O-N 3.22Å; T216-R219 PolarHBondContact O-N 2.98Å; T216-R219 PolarHBondContact OG1-NH1 2.92Å; T216-R219 VanDerWaalsContact OG1-NH1 3.1Å; T216-I220 HydrophobicContact CG2-CD1 4.05Å; T216-I220 VanDerWaalsContact O-CG1 3.29Å; T216-I220 WeakPolarHBondContact O-CG1 3.19Å; T216-I220 PolarHBondContact O-N 3.47Å |
| 217 | L | 67.3 | Low | 62.4 | Low | 58 Ų | 58 | 84.5 Ų | 84.5 | 30% | 0.304 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -59.7 | -42.4 | 170.2 | -74.1 | 172.8 | 0 | 0 | 0 | 112 | Y141 D213 R219 I220 L221 | Y141-L217 HydrophobicContact CE2-CD1 4.03Å; D213-L217 PolarHBondContact O-N 2.98Å; L217-R219 PolarHBondContact O-N 2.86Å; L217-I220 PolarHBondContact O-N 2.87Å; L217-L221 WeakPolarHBondContact O-CB 3.28Å; L217-L221 WeakPolarHBondContact O-CG 3.32Å; L217-L221 PolarHBondContact O-N 2.91Å |
| 218 | Q | 68.2 | Low | 62.4 | Low | 106 Ų | 106 | 80.6 Ų | 80.6 | 50% | 0.495 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -65.9 | -37 | 177.8 | -173.1 | 168.9 | 58.4 | 0 | 0 | 112 | D214 Q215 T216 Q222 | D214-Q218 WeakPolarHBondContact O-CB 3.4Å; D214-Q218 PolarHBondContact O-N 2.92Å; Q215-Q218 PolarHBondContact O-N 3.28Å; T216-Q218 VanDerWaalsContact C-N 3.33Å; T216-Q218 PolarHBondContact O-N 3.22Å; Q218-Q222 VanDerWaalsContact O-CB 3.27Å; Q218-Q222 WeakPolarHBondContact O-CB 3.4Å; Q218-Q222 WeakPolarHBondContact O-CG 3.45Å; Q218-Q222 PolarHBondContact O-N 3.45Å |
| 219 | R | 68.9 | Low | 62.8 | Low | 119 Ų | 119 | 84.2 Ų | 84.2 | 45% | 0.449 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.9 | -42.5 | 170.6 | -71.8 | 168 | -150.7 | 132.9 | 1.7 | 111.6 | D212 Q215 T216 L217 Q222 S223 | D212-R219 IonicContact OD1-CZ 3.83Å; D212-R219 IonicContact OD1-NH1 3.41Å; D212-R219 PolarHBondContact OD1-NH1 3.05Å; D212-R219 IonicContact OD1-NH2 3.21Å; D212-R219 PolarHBondContact OD1-NH2 3.34Å; Q215-R219 WeakPolarHBondContact O-CB 3.4Å; Q215-R219 WeakPolarHBondContact O-CG 3.28Å; Q215-R219 PolarHBondContact O-N 3.24Å; Q215-R219 VanDerWaalsContact OE1-NH2 3.15Å; T216-R219 PolarHBondContact O-N 2.98Å; T216-R219 PolarHBondContact OG1-NH1 2.92Å; T216-R219 VanDerWaalsContact OG1-NH1 3.1Å; L217-R219 PolarHBondContact O-N 2.86Å; R219-Q222 PolarHBondContact O-N 2.79Å; R219-S223 PolarHBondContact O-N 3.49Å; R219-S223 PolarHBondContact O-OG 2.88Å |
| 220 | I | 67.8 | Low | 63.1 | Low | 87 Ų | 87 | 86.1 Ų | 86.1 | 45% | 0.446 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -66 | -43 | 179.1 | -69.6 | 164.5 | 0 | 0 | 0 | 111.4 | T216 L217 S223 S224 | T216-I220 HydrophobicContact CG2-CD1 4.05Å; T216-I220 VanDerWaalsContact O-CG1 3.29Å; T216-I220 WeakPolarHBondContact O-CG1 3.19Å; T216-I220 PolarHBondContact O-N 3.47Å; L217-I220 PolarHBondContact O-N 2.87Å; I220-S223 WeakPolarHBondContact CA-OG 3.46Å; I220-S223 PolarHBondContact O-N 3.47Å; I220-S223 PolarHBondContact O-OG 2.83Å; I220-S224 PolarHBondContact O-N 2.86Å |
| 221 | L | 67.6 | Low | 63.6 | Low | 115 Ų | 115 | 89.8 Ų | 89.8 | 60% | 0.602 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -63.8 | -44.3 | 174.1 | -70.5 | 169.8 | 0 | 0 | 0 | 110.8 | L217 S223 S224 E225 | L217-L221 WeakPolarHBondContact O-CB 3.28Å; L217-L221 WeakPolarHBondContact O-CG 3.32Å; L217-L221 PolarHBondContact O-N 2.91Å; L221-S223 PolarHBondContact O-N 3.21Å; L221-S224 WeakPolarHBondContact O-CB 3.37Å; L221-S224 PolarHBondContact O-N 3.48Å; L221-S224 VanDerWaalsContact O-N 3.16Å; L221-E225 WeakPolarHBondContact O-CG 3.28Å; L221-E225 PolarHBondContact O-N 2.92Å |
| 222 | Q | 64.4 | Low | 64.1 | Low | 95 Ų | 95 | 93.5 Ų | 93.5 | 44% | 0.444 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.1 | -32.9 | 176 | -75.2 | 172.4 | -0.7 | 0 | 0 | 113.1 | Q218 R219 N226 | Q218-Q222 VanDerWaalsContact O-CB 3.27Å; Q218-Q222 WeakPolarHBondContact O-CB 3.4Å; Q218-Q222 WeakPolarHBondContact O-CG 3.45Å; Q218-Q222 PolarHBondContact O-N 3.45Å; R219-Q222 PolarHBondContact O-N 2.79Å; Q222-N226 PolarHBondContact O-N 3.08Å; Q222-N226 PolarHBondContact O-ND2 3.32Å |
| 223 | S | 60.2 | Low | 64.4 | Low | 58 Ų | 58 | 93.8 Ų | 93.8 | 41% | 0.406 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.7 | -42.7 | 170.2 | 47.6 | 0 | 0 | 0 | 0 | 111 | R219 I220 L221 E225 N226 D227 | R219-S223 PolarHBondContact O-N 3.49Å; R219-S223 PolarHBondContact O-OG 2.88Å; I220-S223 WeakPolarHBondContact CA-OG 3.46Å; I220-S223 PolarHBondContact O-N 3.47Å; I220-S223 PolarHBondContact O-OG 2.83Å; L221-S223 PolarHBondContact O-N 3.21Å; S223-E225 VanDerWaalsContact C-N 3.28Å; S223-E225 PolarHBondContact O-N 3.39Å; S223-N226 PolarHBondContact O-N 3.46Å; S223-D227 PolarHBondContact O-N 2.98Å |
| 224 | S | 58.8 | Low | 64.7 | Low | 69 Ų | 69 | 94.3 Ų | 94.3 | 48% | 0.483 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.6 | -32 | 176.3 | -169.8 | 0 | 0 | 0 | 0 | 113.3 | I220 L221 N226 D228 | I220-S224 PolarHBondContact O-N 2.86Å; L221-S224 WeakPolarHBondContact O-CB 3.37Å; L221-S224 PolarHBondContact O-N 3.48Å; L221-S224 VanDerWaalsContact O-N 3.16Å; S224-N226 VanDerWaalsContact C-N 3.31Å; S224-D228 PolarHBondContact O-N 3.2Å |
| 225 | E | 57.5 | Low | 65 | Low | 136 Ų | 136 | 96.6 Ų | 96.6 | 64% | 0.636 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -71.9 | -21 | 173.1 | -73.6 | -178.9 | 150.5 | 0 | 0 | 113.1 | L221 S223 | L221-E225 WeakPolarHBondContact O-CG 3.28Å; L221-E225 PolarHBondContact O-N 2.92Å; S223-E225 VanDerWaalsContact C-N 3.28Å; S223-E225 PolarHBondContact O-N 3.39Å |
| 226 | N | 54.6 | Low | 65.4 | Low | 126 Ų | 126 | 100.8 Ų | 100.8 | 67% | 0.674 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -86.5 | -30.8 | 172.8 | -71.5 | -71 | 0 | 0 | 0 | 112 | Q222 S223 S224 D228 | Q222-N226 PolarHBondContact O-N 3.08Å; Q222-N226 PolarHBondContact O-ND2 3.32Å; S223-N226 PolarHBondContact O-N 3.46Å; S224-N226 VanDerWaalsContact C-N 3.31Å; N226-D228 PolarHBondContact O-N 2.98Å |
| 227 | D | 56.4 | Low | 65.3 | Low | 97 Ų | 97 | 102.4 Ų | 102.4 | 52% | 0.519 | 52% | 0.519 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -10.3 | 176.7 | -61.6 | -24.6 | 0 | 0 | 0 | 112.7 | S223 E229 E230 L231 | S223-D227 PolarHBondContact O-N 2.98Å; D227-E229 PolarHBondContact O-N 2.8Å; D227-E230 PolarHBondContact O-N 2.98Å; D227-E230 VanDerWaalsContact O-N 3.09Å; D227-L231 PolarHBondContact O-N 3.38Å |
| 228 | D | 62.1 | Low | 65 | Low | 72 Ų | 72 | 102.9 Ų | 102.9 | 39% | 0.385 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -57.8 | -26.5 | 175.3 | -99.7 | -13.6 | 0 | 0 | 0 | 113.4 | S224 N226 Q232 | S224-D228 PolarHBondContact O-N 3.2Å; N226-D228 PolarHBondContact O-N 2.98Å; D228-Q232 WeakPolarHBondContact O-CB 3.41Å; D228-Q232 WeakPolarHBondContact O-CG 3.44Å; D228-Q232 PolarHBondContact O-N 3.16Å |
| 229 | E | 65.4 | Low | 64.7 | Low | 159 Ų | 159 | 100.9 Ų | 100.9 | 74% | 0.743 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -68.9 | -40.6 | 174.5 | -69.5 | -159.7 | 160.5 | 0 | 0 | 112.2 | D227 L233 | D227-E229 PolarHBondContact O-N 2.8Å; E229-L233 WeakPolarHBondContact O-CB 3.33Å; E229-L233 PolarHBondContact O-N 2.81Å |
| 230 | E | 65.3 | Low | 64.1 | Low | 150 Ų | 150 | 100.9 Ų | 100.9 | 70% | 0.701 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -73.7 | -37.1 | 176.8 | -171.1 | 166.1 | -170.4 | 0 | 0 | 110.8 | D227 L233 A234 | D227-E230 PolarHBondContact O-N 2.98Å; D227-E230 VanDerWaalsContact O-N 3.09Å; E230-L233 WeakPolarHBondContact O-CB 3.41Å; E230-L233 PolarHBondContact O-N 2.82Å; E230-A234 WeakPolarHBondContact O-CB 3.39Å; E230-A234 PolarHBondContact O-N 2.73Å |
| 231 | L | 65.9 | Low | 63.2 | Low | 103 Ų | 103 | 103.9 Ų | 103.9 | 54% | 0.539 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -67.5 | -41 | 175 | -158.8 | 111.3 | 0 | 0 | 0 | 112.2 | D227 L233 A234 L235 | D227-L231 PolarHBondContact O-N 3.38Å; L231-L233 VanDerWaalsContact C-N 3.33Å; L231-A234 PolarHBondContact O-N 3.33Å; L231-L235 HydrophobicContact CD2-CD1 3.94Å; L231-L235 WeakPolarHBondContact O-CB 3.37Å; L231-L235 VanDerWaalsContact O-CG 3.3Å; L231-L235 WeakPolarHBondContact O-CG 3.38Å; L231-L235 PolarHBondContact O-N 3.16Å |
| 232 | Q | 71.2 | Confident | 62.1 | Low | 126 Ų | 126 | 108.2 Ų | 108.2 | 59% | 0.589 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -66.2 | -34.7 | 171.8 | -76.1 | 177.4 | 37.1 | 0 | 0 | 112 | D228 R236 | D228-Q232 WeakPolarHBondContact O-CB 3.41Å; D228-Q232 WeakPolarHBondContact O-CG 3.44Å; D228-Q232 PolarHBondContact O-N 3.16Å; Q232-R236 WeakPolarHBondContact O-CB 3.3Å; Q232-R236 PolarHBondContact O-N 2.98Å |
| 233 | L | 71.3 | Confident | 61.1 | Low | 86 Ų | 86 | 111.4 Ų | 111.4 | 45% | 0.45 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -61.1 | -49.9 | 170.4 | -100.7 | 160.1 | 0 | 0 | 0 | 111.3 | E229 E230 L231 R236 V237 | E229-L233 WeakPolarHBondContact O-CB 3.33Å; E229-L233 PolarHBondContact O-N 2.81Å; E230-L233 WeakPolarHBondContact O-CB 3.41Å; E230-L233 PolarHBondContact O-N 2.82Å; L231-L233 VanDerWaalsContact C-N 3.33Å; L233-R236 PolarHBondContact O-N 3.32Å; L233-V237 WeakPolarHBondContact O-CG2 3.35Å; L233-V237 PolarHBondContact O-N 3.37Å |
| 234 | A | 69.1 | Low | 60.2 | Low | 53 Ų | 53 | 116.6 Ų | 116.6 | 44% | 0.438 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -61.1 | -47.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | E230 L231 R236 V237 S238 | E230-A234 WeakPolarHBondContact O-CB 3.39Å; E230-A234 PolarHBondContact O-N 2.73Å; L231-A234 PolarHBondContact O-N 3.33Å; A234-R236 VanDerWaalsContact C-N 3.31Å; A234-R236 PolarHBondContact O-N 3.29Å; A234-V237 PolarHBondContact O-N 3.15Å; A234-V237 VanDerWaalsContact O-N 3.17Å; A234-S238 PolarHBondContact O-N 2.99Å; A234-S238 PolarHBondContact O-OG 3.2Å |
| 235 | L | 71.4 | Confident | 59.4 | Low | 110 Ų | 110 | 119.8 Ų | 119.8 | 58% | 0.576 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -60.5 | -38.3 | 175.3 | -72.8 | 170.1 | 0 | 0 | 0 | 112.3 | L231 A239 | L231-L235 HydrophobicContact CD2-CD1 3.94Å; L231-L235 WeakPolarHBondContact O-CB 3.37Å; L231-L235 VanDerWaalsContact O-CG 3.3Å; L231-L235 WeakPolarHBondContact O-CG 3.38Å; L231-L235 PolarHBondContact O-N 3.16Å; L235-A239 WeakPolarHBondContact O-CB 3.48Å; L235-A239 PolarHBondContact O-N 3.02Å |
| 236 | R | 72.9 | Confident | 59 | Low | 152 Ų | 152 | 117.4 Ų | 117.4 | 57% | 0.574 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -69.9 | -35.2 | 175.3 | -175.3 | 174.9 | 68.1 | -162.8 | 0.1 | 112.6 | Q232 L233 A234 N240 | Q232-R236 WeakPolarHBondContact O-CB 3.3Å; Q232-R236 PolarHBondContact O-N 2.98Å; L233-R236 PolarHBondContact O-N 3.32Å; A234-R236 VanDerWaalsContact C-N 3.31Å; A234-R236 PolarHBondContact O-N 3.29Å; R236-N240 WeakPolarHBondContact O-CB 3.44Å; R236-N240 PolarHBondContact O-N 2.97Å; R236-N240 VanDerWaalsContact O-N 3.13Å |
| 237 | V | 65.2 | Low | 59.2 | Low | 73 Ų | 73 | 116.8 Ų | 116.8 | 44% | 0.442 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -66 | -52.6 | 173.1 | 169.7 | 0 | 0 | 0 | 0 | 109.7 | L233 A234 A239 N240 E241 | L233-V237 WeakPolarHBondContact O-CG2 3.35Å; L233-V237 PolarHBondContact O-N 3.37Å; A234-V237 PolarHBondContact O-N 3.15Å; A234-V237 VanDerWaalsContact O-N 3.17Å; V237-A239 VanDerWaalsContact C-N 3.27Å; V237-A239 PolarHBondContact O-N 3.5Å; V237-N240 CarbonylContact O-C 3.39Å; V237-N240 PolarHBondContact O-N 3.13Å; V237-E241 HydrophobicContact CG1-CG 4.48Å; V237-E241 PolarHBondContact O-N 3.09Å |
| 238 | S | 61.6 | Low | 59.3 | Low | 68 Ų | 68 | 120.1 Ų | 120.1 | 48% | 0.476 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -63.1 | -28.3 | 177.8 | -59.7 | 0 | 0 | 0 | 0 | 113.9 | A234 Y242 | A234-S238 PolarHBondContact O-N 2.99Å; A234-S238 PolarHBondContact O-OG 3.2Å; S238-Y242 WeakPolarHBondContact O-CD2 3.4Å; S238-Y242 WeakPolarHBondContact O-CE2 3.43Å |
| 239 | A | 61.8 | Low | 59 | Low | 65 Ų | 65 | 123.9 Ų | 123.9 | 54% | 0.537 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -73.8 | -28.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L235 V237 | L235-A239 WeakPolarHBondContact O-CB 3.48Å; L235-A239 PolarHBondContact O-N 3.02Å; V237-A239 VanDerWaalsContact C-N 3.27Å; V237-A239 PolarHBondContact O-N 3.5Å |
| 240 | N | 54.9 | Low | 58.8 | Low | 118 Ų | 118 | 121.6 Ų | 121.6 | 63% | 0.631 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -89.3 | -13.8 | 179.7 | -74.1 | -2.9 | 0 | 0 | 0 | 113.8 | R236 V237 Y242 | R236-N240 WeakPolarHBondContact O-CB 3.44Å; R236-N240 PolarHBondContact O-N 2.97Å; R236-N240 VanDerWaalsContact O-N 3.13Å; V237-N240 CarbonylContact O-C 3.39Å; V237-N240 PolarHBondContact O-N 3.13Å; N240-Y242 PolarHBondContact O-N 3.35Å |
| 241 | E | 50.4 | Low | 58.6 | Low | 150 Ų | 150 | 119.8 Ų | 119.8 | 70% | 0.701 | 62% | 0.618 | S | S | * | * | trans | -76.1 | 3.7 | 176.3 | -76.2 | -176.5 | 158.1 | 0 | 0 | 114 | V237 E243 | V237-E241 HydrophobicContact CG1-CG 4.48Å; V237-E241 PolarHBondContact O-N 3.09Å; E241-E243 VanDerWaalsContact C-N 3.3Å; E241-E243 PolarHBondContact O-N 3Å | ||
| 242 | Y | 44.1 | Very low | 58.4 | Low | 206 Ų | 206 | 121.2 Ų | 121.2 | 81% | 0.808 | 62% | 0.623 | S | S | * | * | trans | -87.6 | 46.1 | 172.9 | -72.3 | -82.7 | 0 | 0 | 0 | 113.9 | S238 N240 | S238-Y242 WeakPolarHBondContact O-CD2 3.4Å; S238-Y242 WeakPolarHBondContact O-CE2 3.43Å; N240-Y242 PolarHBondContact O-N 3.35Å | ||
| 243 | E | 42.7 | Very low | 57.8 | Low | 162 Ų | 162 | 117.6 Ų | 117.6 | 76% | 0.757 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -119.2 | 78.1 | 163.3 | -74.7 | -159.3 | 161.4 | 0 | 0 | 112.4 | E241 T245 | E241-E243 VanDerWaalsContact C-N 3.3Å; E241-E243 PolarHBondContact O-N 3Å; E243-T245 PolarHBondContact O-N 3.47Å; E243-T245 PolarHBondContact O-OG1 3.47Å; E243-T245 VanDerWaalsContact O-OG1 3.05Å |
| 244 | D | 42.5 | Very low | 57.2 | Low | 168 Ų | 168 | 118 Ų | 118 | 90% | 0.898 | 62% | 0.616 | S | S | * | * | S | Bend | trans | 47.3 | 38 | 136.8 | -155.6 | 24 | 0 | 0 | 0 | 119.9 | ||
| 245 | T | 42.2 | Very low | 56.8 | Low | 135 Ų | 135 | 118.5 Ų | 118.5 | 83% | 0.828 | 62% | 0.62 | S | S | * | * | trans | -142.9 | 33.2 | -174.6 | 55.4 | 0 | 0 | 0 | 0 | 119.2 | E243 | E243-T245 PolarHBondContact O-N 3.47Å; E243-T245 PolarHBondContact O-OG1 3.47Å; E243-T245 VanDerWaalsContact O-OG1 3.05Å | ||
| 246 | S | 48.4 | Very low | 56.1 | Low | 87 Ų | 87 | 119.7 Ų | 119.7 | 61% | 0.608 | 63% | 0.626 | S | S | * | * | trans | -145.4 | 4.6 | 179.5 | 59.1 | 0 | 0 | 0 | 0 | 119.7 | K248 E249 | S246-K248 PolarHBondContact O-N 2.9Å; S246-E249 PolarHBondContact O-N 3.02Å | ||
| 247 | D | 57.7 | Low | 55.2 | Low | 112 Ų | 112 | 116.9 Ų | 116.9 | 60% | 0.599 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -61.6 | -10.5 | -173.4 | -156.5 | 30.8 | 0 | 0 | 0 | 115.4 | Q251 | D247-Q251 WeakPolarHBondContact O-CG 3.26Å; D247-Q251 PolarHBondContact O-NE2 3.26Å; D247-Q251 PolarHBondContact OD2-NE2 3.04Å |
| 248 | K | 58.7 | Low | 54.8 | Low | 167 Ų | 167 | 120 Ų | 120 | 73% | 0.726 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -82.3 | -32.9 | 178.3 | -70.2 | 179 | 178.3 | 168.9 | 0 | 114.8 | S246 Q252 | S246-K248 PolarHBondContact O-N 2.9Å; K248-Q252 WeakPolarHBondContact O-CG 3.3Å; K248-Q252 PolarHBondContact O-N 3.25Å |
| 249 | E | 57.6 | Low | 54 | Low | 151 Ų | 151 | 123.4 Ų | 123.4 | 71% | 0.706 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -79.5 | -38.7 | -176.3 | -66.6 | -170.5 | 155.8 | 0 | 0 | 111.1 | S246 Q251 Q252 A253 | S246-E249 PolarHBondContact O-N 3.02Å; E249-Q251 VanDerWaalsContact C-N 3.31Å; E249-Q251 PolarHBondContact O-N 3.03Å; E249-Q252 PolarHBondContact O-N 3.08Å; E249-Q252 VanDerWaalsContact O-N 3.14Å; E249-A253 PolarHBondContact O-N 3.24Å |
| 250 | L | 60.1 | Low | 53.3 | Low | 112 Ų | 112 | 126.2 Ų | 126.2 | 59% | 0.586 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -59.9 | -42 | 174.1 | -160.9 | 78 | 0 | 0 | 0 | 111.6 | Q252 A253 I254 | L250-Q252 VanDerWaalsContact C-N 3.33Å; L250-Q252 PolarHBondContact O-N 2.97Å; L250-A253 PolarHBondContact O-N 3.43Å; L250-I254 HydrophobicContact CG-CD1 4.3Å; L250-I254 WeakPolarHBondContact O-CG1 3.26Å; L250-I254 PolarHBondContact O-N 3.24Å; L250-I254 VanDerWaalsContact O-N 3.08Å |
| 251 | Q | 61.7 | Low | 52.4 | Low | 111 Ų | 111 | 126.2 Ų | 126.2 | 52% | 0.519 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -66 | -32.3 | 176.7 | -71 | 170.5 | 14 | 0 | 0 | 112.6 | D247 E249 A255 | D247-Q251 WeakPolarHBondContact O-CG 3.26Å; D247-Q251 PolarHBondContact O-NE2 3.26Å; D247-Q251 PolarHBondContact OD2-NE2 3.04Å; E249-Q251 VanDerWaalsContact C-N 3.31Å; E249-Q251 PolarHBondContact O-N 3.03Å; Q251-A255 WeakPolarHBondContact O-CB 3.32Å; Q251-A255 PolarHBondContact O-N 2.83Å |
| 252 | Q | 60.7 | Low | 51.5 | Low | 134 Ų | 134 | 126.7 Ų | 126.7 | 63% | 0.626 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -71.3 | -41.5 | 172.6 | -73.4 | -178.3 | 4 | 0 | 0 | 112.4 | K248 E249 L250 A255 L256 | K248-Q252 WeakPolarHBondContact O-CG 3.3Å; K248-Q252 PolarHBondContact O-N 3.25Å; E249-Q252 PolarHBondContact O-N 3.08Å; E249-Q252 VanDerWaalsContact O-N 3.14Å; L250-Q252 VanDerWaalsContact C-N 3.33Å; L250-Q252 PolarHBondContact O-N 2.97Å; Q252-A255 PolarHBondContact O-N 2.87Å; Q252-L256 WeakPolarHBondContact O-CG 3.4Å; Q252-L256 PolarHBondContact O-N 3.34Å; Q252-L256 VanDerWaalsContact O-N 3.14Å |
| 253 | A | 58.3 | Low | 51 | Low | 50 Ų | 50 | 125.6 Ų | 125.6 | 41% | 0.413 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -61.6 | -44.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E249 L250 A255 L256 S257 | E249-A253 PolarHBondContact O-N 3.24Å; L250-A253 PolarHBondContact O-N 3.43Å; A253-A255 PolarHBondContact O-N 3.47Å; A253-L256 PolarHBondContact O-N 2.88Å; A253-S257 PolarHBondContact O-N 3.4Å; A253-S257 VanDerWaalsContact O-N 3.1Å; A253-S257 PolarHBondContact O-OG 2.65Å |
| 254 | I | 60.6 | Low | 50.7 | Low | 93 Ų | 93 | 121.8 Ų | 121.8 | 48% | 0.477 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -63.6 | -40.3 | 177.6 | -66.1 | 165.7 | 0 | 0 | 0 | 111.4 | L250 L256 S257 L258 | L250-I254 HydrophobicContact CG-CD1 4.3Å; L250-I254 WeakPolarHBondContact O-CG1 3.26Å; L250-I254 PolarHBondContact O-N 3.24Å; L250-I254 VanDerWaalsContact O-N 3.08Å; I254-L256 VanDerWaalsContact C-N 3.3Å; I254-L256 PolarHBondContact O-N 3.47Å; I254-S257 PolarHBondContact O-N 3.11Å; I254-L258 HydrophobicContact CG2-CD1 4.04Å; I254-L258 PolarHBondContact O-N 3.16Å |
| 255 | A | 60 | Low | 50.2 | Low | 64 Ų | 64 | 121.1 Ų | 121.1 | 53% | 0.529 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -65 | -31.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q251 Q252 A253 | Q251-A255 WeakPolarHBondContact O-CB 3.32Å; Q251-A255 PolarHBondContact O-N 2.83Å; Q252-A255 PolarHBondContact O-N 2.87Å; A253-A255 PolarHBondContact O-N 3.47Å |
| 256 | L | 56.9 | Low | 49.8 | Very low | 135 Ų | 135 | 119 Ų | 119 | 71% | 0.707 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -75.8 | -36.3 | 175.6 | -71.1 | 165.4 | 0 | 0 | 0 | 112.3 | Q252 A253 I254 | Q252-L256 WeakPolarHBondContact O-CG 3.4Å; Q252-L256 PolarHBondContact O-N 3.34Å; Q252-L256 VanDerWaalsContact O-N 3.14Å; A253-L256 PolarHBondContact O-N 2.88Å; I254-L256 VanDerWaalsContact C-N 3.3Å; I254-L256 PolarHBondContact O-N 3.47Å |
| 257 | S | 53.9 | Low | 49 | Very low | 94 Ų | 94 | 122.6 Ų | 122.6 | 66% | 0.657 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -74.4 | -22.1 | -177.8 | -60.9 | 0 | 0 | 0 | 0 | 114.9 | A253 I254 N259 | A253-S257 PolarHBondContact O-N 3.4Å; A253-S257 VanDerWaalsContact O-N 3.1Å; A253-S257 PolarHBondContact O-OG 2.65Å; I254-S257 PolarHBondContact O-N 3.11Å; S257-N259 PolarHBondContact O-N 3.36Å |
| 258 | L | 55.3 | Low | 47.8 | Very low | 139 Ų | 139 | 120.9 Ų | 120.9 | 73% | 0.728 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | 2.5 | 179.3 | -75.6 | 165 | 0 | 0 | 0 | 114.1 | I254 | I254-L258 HydrophobicContact CG2-CD1 4.04Å; I254-L258 PolarHBondContact O-N 3.16Å |
| 259 | N | 46.4 | Very low | 46.6 | Very low | 138 Ų | 138 | 121.4 Ų | 121.4 | 74% | 0.738 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -119.1 | 37.7 | -165.5 | -115.4 | 15.7 | 0 | 0 | 0 | 114.8 | S257 | S257-N259 PolarHBondContact O-N 3.36Š|
| 260 | T | 45.8 | Very low | 45.6 | Very low | 124 Ų | 124 | 122.1 Ų | 122.1 | 76% | 0.761 | 70% | 0.695 | S | S | * | * | trans | -139.7 | 129.6 | 170.3 | 48.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 261 | P | 35.8 | Very low | 44.3 | Very low | 119 Ų | 119 | 123.2 Ų | 123.2 | 77% | 0.773 | 71% | 0.707 | S | S | * | * | trans | -106.4 | 135.6 | 177.6 | 36.3 | -29.9 | 0 | 0 | 0 | 114.8 | ||||
| 262 | N | 32 | Very low | 43 | Very low | 159 Ų | 159 | 122 Ų | 122 | 85% | 0.85 | 72% | 0.716 | S | S | * | * | trans | 62.4 | 153.1 | 145.6 | -90.1 | 2.4 | 0 | 0 | 0 | 124.2 | ||||
| 263 | E | 34.4 | Very low | 41.7 | Very low | 183 Ų | 183 | 125.6 Ų | 125.6 | 86% | 0.855 | 73% | 0.732 | S | S | * | * | trans | 92.8 | 132.5 | 163.9 | -55.2 | -163.3 | 173 | 0 | 0 | 117.6 | ||||
| 264 | S | 35.7 | Very low | 40.5 | Very low | 83 Ų | 83 | 128.1 Ų | 128.1 | 58% | 0.58 | 75% | 0.747 | S | S | * | * | cis | 165.3 | 148.9 | -36.5 | 49.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 265 | N | 32.7 | Very low | 39.3 | Very low | 153 Ų | 153 | 132 Ų | 132 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | 70.3 | 156.8 | 159.3 | -59 | -26.6 | 0 | 0 | 0 | 118.5 | ||||
| 266 | S | 32.4 | Very low | 38.2 | Very low | 92 Ų | 92 | 137.2 Ų | 137.2 | 64% | 0.643 | 79% | 0.785 | S | S | * | * | cis | -177.5 | 131.5 | -20.8 | 170 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 267 | I | 32.3 | Very low | 37.3 | Very low | 161 Ų | 161 | 138.8 Ų | 138.8 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | trans | 50 | 137.5 | 141 | -57.9 | 170.3 | 0 | 0 | 0 | 121.9 | ||||
| 268 | G | 31.8 | Very low | 36.6 | Very low | 77 Ų | 77 | 138.1 Ų | 138.1 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | trans | -172.4 | 116.7 | 153.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 269 | Q | 34.6 | Very low | 35.9 | Very low | 177 Ų | 177 | 137.6 Ų | 137.6 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | trans | -109.8 | 166.8 | 175 | -65.9 | 175.5 | -45.7 | 0 | 0 | 111.3 | ||||
| 270 | N | 36.7 | Very low | 36 | Very low | 167 Ų | 167 | 137.5 Ų | 137.5 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | trans | -171.1 | 160 | 145.2 | -97.7 | -30.2 | 0 | 0 | 0 | 115.4 | ||||
| 271 | T | 33.1 | Very low | 36.4 | Very low | 135 Ų | 135 | 136.4 Ų | 136.4 | 83% | 0.828 | 77% | 0.767 | S | S | * | * | trans | -142.2 | 170.5 | -163.7 | 48.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 272 | A | 33.1 | Very low | 37.8 | Very low | 86 Ų | 86 | 133.3 Ų | 133.3 | 71% | 0.711 | 74% | 0.743 | S | S | * | * | cis | 169.9 | 130.7 | -32.4 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 273 | Q | 34.5 | Very low | 39.6 | Very low | 208 Ų | 208 | 129 Ų | 129 | 97% | 0.972 | 73% | 0.726 | S | S | * | * | trans | -156.3 | 156.4 | -174.5 | -112.6 | 163.5 | -14.8 | 0 | 0 | 115.4 | ||||
| 274 | S | 32.9 | Very low | 41.3 | Very low | 104 Ų | 104 | 122.5 Ų | 122.5 | 73% | 0.727 | 70% | 0.703 | S | S | * | * | trans | -133.6 | 162.6 | -168.4 | 56 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 275 | D | 34.6 | Very low | 42.9 | Very low | 175 Ų | 175 | 123.8 Ų | 123.8 | 94% | 0.936 | 70% | 0.7 | S | S | * | * | trans | -156.2 | 159.7 | 154.3 | -102.5 | -36 | 0 | 0 | 0 | 114.2 | ||||
| 276 | M | 36.2 | Very low | 44.9 | Very low | 173 Ų | 173 | 120.6 Ų | 120.6 | 85% | 0.852 | 68% | 0.68 | S | S | * | * | trans | -114.1 | 154.6 | -165.4 | -80.2 | -91.7 | -166.8 | 0 | 0 | 113.9 | ||||
| 277 | N | 39.1 | Very low | 46.8 | Very low | 167 Ų | 167 | 116.9 Ų | 116.9 | 89% | 0.893 | 65% | 0.653 | S | S | * | * | trans | -168.5 | 132.8 | 145.5 | -99.2 | -36.4 | 0 | 0 | 0 | 111.3 | ||||
| 278 | N | 37.9 | Very low | 48.8 | Very low | 81 Ų | 81 | 117 Ų | 117 | 43% | 0.433 | 64% | 0.643 | S | S | . | * | trans | -151.7 | 123.2 | 174.8 | -172.1 | -40 | 0 | 0 | 0 | 111.2 | R281 | N278-R281 PolarHBondContact ND2-NE 3.21Å; N278-R281 PolarHBondContact ND2-NH1 2.94Å | ||
| 279 | T | 40.7 | Very low | 50.9 | Low | 128 Ų | 128 | 120.3 Ų | 120.3 | 79% | 0.785 | 63% | 0.631 | S | S | * | * | trans | -150.5 | 72.9 | 178.4 | -45.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 280 | N | 49.8 | Very low | 52.8 | Low | 135 Ų | 135 | 115.8 Ų | 115.8 | 72% | 0.722 | 61% | 0.613 | S | S | * | * | trans | -170 | 27 | 155.1 | -107.1 | -7 | 0 | 0 | 0 | 116.6 | ||||
| 281 | R | 53.3 | Low | 54.4 | Low | 102 Ų | 102 | 109 Ų | 109 | 39% | 0.385 | 58% | 0.575 | S | S | . | * | P | Polyproline II helix | trans | -71.2 | 133.6 | -177.1 | -73.5 | -173.8 | 162.6 | 142.8 | -3.7 | 114.2 | Q74 Q77 N278 | Q74-R281 VanDerWaalsContact OE1-CZ 3.22Å; Q77-R281 VanDerWaalsContact CD-CZ 3.42Å; Q77-R281 VanDerWaalsContact OE1-NH1 3.11Å; N278-R281 PolarHBondContact ND2-NE 3.21Å; N278-R281 PolarHBondContact ND2-NH1 2.94Å |
| 282 | I | 65.9 | Low | 56.4 | Low | 54 Ų | 54 | 107.2 Ų | 107.2 | 28% | 0.277 | 56% | 0.557 | S | S | . | * | P | Polyproline II helix | trans | -56.8 | 136.1 | 162 | -75.6 | -174.1 | 0 | 0 | 0 | 109.6 | E286 I287 | I282-E286 HydrophobicContact CG2-CB 3.99Å; I282-E286 HydrophobicContact CG2-CG 4.23Å; I282-I287 HydrophobicContact CG2-CD1 3.99Å; I282-I287 HydrophobicContact CG2-CG1 3.75Å |
| 283 | S | 69.7 | Low | 58.4 | Low | 69 Ų | 69 | 106 Ų | 106 | 48% | 0.483 | 55% | 0.547 | S | S | . | . | P | Polyproline II helix | trans | -77 | 147.6 | 178.5 | -175 | 0 | 0 | 0 | 0 | 112 | E285 E286 I287 | S283-E285 PolarHBondContact O-N 3.4Å; S283-E285 VanDerWaalsContact O-N 3.15Å; S283-E286 WeakPolarHBondContact O-CB 3.23Å; S283-E286 PolarHBondContact O-N 2.8Å; S283-I287 PolarHBondContact O-N 3.15Å |
| 284 | A | 70 | Confident | 60.1 | Low | 45 Ų | 45 | 100 Ų | 100 | 37% | 0.372 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -53.9 | -33.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | I78 E286 I287 R288 | I78-A284 HydrophobicContact CG2-CB 3.72Å; I78-A284 WeakPolarHBondContact O-CB 3.4Å; A284-E286 VanDerWaalsContact C-N 3.3Å; A284-E286 PolarHBondContact O-N 3.32Å; A284-I287 PolarHBondContact O-N 3.21Å; A284-R288 WeakPolarHBondContact O-CB 3.41Å; A284-R288 PolarHBondContact O-N 3.41Å |
| 285 | E | 69.9 | Low | 62 | Low | 111 Ų | 111 | 99.7 Ų | 99.7 | 52% | 0.519 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.5 | -32.1 | 175.8 | -87.1 | -61.9 | 135 | 0 | 0 | 113.4 | S283 R289 | S283-E285 PolarHBondContact O-N 3.4Å; S283-E285 VanDerWaalsContact O-N 3.15Å; E285-R289 WeakPolarHBondContact O-CB 3.32Å; E285-R289 PolarHBondContact O-N 2.98Å |
| 286 | E | 74.6 | Confident | 63.8 | Low | 85 Ų | 85 | 95 Ų | 95 | 40% | 0.397 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -76.5 | -39.3 | -179.6 | -174.6 | 154.4 | -140.6 | 0 | 0 | 111.2 | I282 S283 A284 R289 N290 | I282-E286 HydrophobicContact CG2-CB 3.99Å; I282-E286 HydrophobicContact CG2-CG 4.23Å; S283-E286 WeakPolarHBondContact O-CB 3.23Å; S283-E286 PolarHBondContact O-N 2.8Å; A284-E286 VanDerWaalsContact C-N 3.3Å; A284-E286 PolarHBondContact O-N 3.32Å; E286-R289 PolarHBondContact O-N 3.15Å; E286-N290 VanDerWaalsContact O-CG 3.23Å; E286-N290 PolarHBondContact O-N 2.98Å; E286-N290 PolarHBondContact O-ND2 3.16Å |
| 287 | I | 71.2 | Confident | 65.3 | Low | 14 Ų | 14 | 94 Ų | 94 | 7% | 0.072 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -63.8 | -44.5 | 171.3 | -69.4 | 171.7 | 0 | 0 | 0 | 110.8 | I78 I282 S283 A284 R289 N290 R291 | I78-I287 HydrophobicContact CD1-CD1 3.2Å; I78-I287 HydrophobicContact CG1-CD1 3.72Å; I78-I287 HydrophobicContact CG2-CD1 4.12Å; I282-I287 HydrophobicContact CG2-CD1 3.99Å; I282-I287 HydrophobicContact CG2-CG1 3.75Å; S283-I287 PolarHBondContact O-N 3.15Å; A284-I287 PolarHBondContact O-N 3.21Å; I287-R289 VanDerWaalsContact C-N 3.29Å; I287-R289 PolarHBondContact O-N 2.77Å; I287-N290 PolarHBondContact O-N 3.41Å; I287-R291 VanDerWaalsContact CG2-NE 3.3Å; I287-R291 VanDerWaalsContact O-CG 3.31Å; I287-R291 WeakPolarHBondContact O-CG 3.32Å; I287-R291 PolarHBondContact O-N 3.33Å |
| 288 | R | 75.1 | Confident | 66.3 | Low | 163 Ų | 163 | 91.9 Ų | 91.9 | 62% | 0.615 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -56.5 | -42.9 | 173.3 | -177.9 | -179.2 | 172.1 | 79 | 8.5 | 111.9 | A284 Q292 | A284-R288 WeakPolarHBondContact O-CB 3.41Å; A284-R288 PolarHBondContact O-N 3.41Å; R288-Q292 PolarHBondContact O-N 2.95Å; R288-Q292 VanDerWaalsContact O-N 3.11Å |
| 289 | R | 75.2 | Confident | 67.3 | Low | 148 Ų | 148 | 91 Ų | 91 | 56% | 0.558 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -67.5 | -42.7 | 179 | -166.2 | -179.4 | -56.4 | 127.1 | 10.4 | 112.5 | E285 E286 I287 R291 Q292 A293 | E285-R289 WeakPolarHBondContact O-CB 3.32Å; E285-R289 PolarHBondContact O-N 2.98Å; E286-R289 PolarHBondContact O-N 3.15Å; I287-R289 VanDerWaalsContact C-N 3.29Å; I287-R289 PolarHBondContact O-N 2.77Å; R289-R291 VanDerWaalsContact C-N 3.33Å; R289-R291 PolarHBondContact O-N 3.4Å; R289-Q292 PolarHBondContact O-N 3.1Å; R289-A293 PolarHBondContact O-N 3.35Å; R289-A293 VanDerWaalsContact O-N 3.09Å |
| 290 | N | 75.5 | Confident | 67.9 | Low | 82 Ų | 82 | 89.2 Ų | 89.2 | 44% | 0.439 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63 | -39.7 | 177.2 | -69.9 | -14.6 | 0 | 0 | 0 | 111.6 | E286 I287 A293 F294 | E286-N290 VanDerWaalsContact O-CG 3.23Å; E286-N290 PolarHBondContact O-N 2.98Å; E286-N290 PolarHBondContact O-ND2 3.16Å; I287-N290 PolarHBondContact O-N 3.41Å; N290-A293 PolarHBondContact O-N 3.36Å; N290-F294 PolarHBondContact O-N 2.77Å |
| 291 | R | 70.5 | Confident | 68.1 | Low | 24 Ų | 24 | 86.9 Ų | 86.9 | 9% | 0.091 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -63.5 | -44.3 | 174.1 | -70.9 | 166 | -175.2 | -173.3 | -8.6 | 113 | Y27 D32 I287 R289 A293 F294 I295 | Y27-R291 VanDerWaalsContact O-CD 3.24Å; Y27-R291 WeakPolarHBondContact O-CD 3.42Å; Y27-R291 PolarHBondContact O-NE 3.05Å; Y27-R291 PolarHBondContact O-NH1 2.85Å; Y27-R291 PolarHBondContact O-NH2 3Å; D32-R291 IonicContact OD2-CZ 3.76Å; D32-R291 IonicContact OD2-NE 3.9Å; D32-R291 PolarHBondContact OD2-NE 3.03Å; D32-R291 IonicContact OD2-NH2 2.95Å; D32-R291 PolarHBondContact OD2-NH2 2.75Å; D32-R291 VanDerWaalsContact OD2-NH2 3.08Å; I287-R291 VanDerWaalsContact CG2-NE 3.3Å; I287-R291 VanDerWaalsContact O-CG 3.31Å; I287-R291 WeakPolarHBondContact O-CG 3.32Å; I287-R291 PolarHBondContact O-N 3.33Å; R289-R291 VanDerWaalsContact C-N 3.33Å; R289-R291 PolarHBondContact O-N 3.4Å; R291-A293 VanDerWaalsContact C-N 3.31Å; R291-A293 PolarHBondContact O-N 3.42Å; R291-F294 WeakPolarHBondContact O-CB 3.22Å; R291-F294 PolarHBondContact O-N 2.85Å; R291-F294 VanDerWaalsContact O-N 3.13Å; R291-I295 WeakPolarHBondContact O-CG1 3.25Å; R291-I295 PolarHBondContact O-N 2.94Å |
| 292 | Q | 74.4 | Confident | 68 | Low | 97 Ų | 97 | 86.6 Ų | 86.6 | 45% | 0.453 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -59.2 | -45.6 | 175.9 | -170.1 | 64.3 | 55.2 | 0 | 0 | 110.6 | R288 R289 F294 I295 D296 | R288-Q292 PolarHBondContact O-N 2.95Å; R288-Q292 VanDerWaalsContact O-N 3.11Å; R289-Q292 PolarHBondContact O-N 3.1Å; Q292-F294 VanDerWaalsContact C-N 3.28Å; Q292-F294 PolarHBondContact O-N 2.76Å; Q292-I295 PolarHBondContact O-N 2.87Å; Q292-D296 PolarHBondContact NE2-OD1 3.27Å; Q292-D296 WeakPolarHBondContact O-CB 3Å; Q292-D296 PolarHBondContact O-N 3.41Å |
| 293 | A | 74.8 | Confident | 67.4 | Low | 61 Ų | 61 | 94.9 Ų | 94.9 | 50% | 0.504 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.7 | -33.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | R289 N290 R291 K297 | R289-A293 PolarHBondContact O-N 3.35Å; R289-A293 VanDerWaalsContact O-N 3.09Å; N290-A293 PolarHBondContact O-N 3.36Å; R291-A293 VanDerWaalsContact C-N 3.31Å; R291-A293 PolarHBondContact O-N 3.42Å; A293-K297 VanDerWaalsContact O-CB 3.31Å; A293-K297 WeakPolarHBondContact O-CB 3.16Å; A293-K297 PolarHBondContact O-N 3.5Å; A293-K297 VanDerWaalsContact O-N 3.15Å |
| 294 | F | 71.8 | Confident | 66.5 | Low | 83 Ų | 83 | 97 Ų | 97 | 36% | 0.364 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -70 | -47.1 | 174.7 | -174.5 | -92.2 | 0 | 0 | 0 | 112.3 | T29 N290 R291 Q292 K297 F298 | T29-F294 HydrophobicContact CG2-CD1 4.4Å; T29-F294 HydrophobicContact CG2-CE1 4.22Å; N290-F294 PolarHBondContact O-N 2.77Å; R291-F294 WeakPolarHBondContact O-CB 3.22Å; R291-F294 PolarHBondContact O-N 2.85Å; R291-F294 VanDerWaalsContact O-N 3.13Å; Q292-F294 VanDerWaalsContact C-N 3.28Å; Q292-F294 PolarHBondContact O-N 2.76Å; F294-K297 WeakPolarHBondContact O-CB 3.45Å; F294-K297 PolarHBondContact O-N 2.94Å; F294-F298 HydrophobicContact CD1-CD2 4.14Å; F294-F298 HydrophobicContact CD1-CE2 4.4Å; F294-F298 AromaticContact CE1-CD2 3.75Å; F294-F298 HydrophobicContact CE1-CD2 3.75Å; F294-F298 AromaticContact CE1-CE2 3.65Å; F294-F298 HydrophobicContact CE1-CE2 3.65Å; F294-F298 HydrophobicContact CE2-CD2 4.4Å; F294-F298 AromaticContact CE2-CE2 3.88Å; F294-F298 HydrophobicContact CE2-CE2 3.88Å; F294-F298 AromaticContact CZ-CD2 3.91Å; F294-F298 HydrophobicContact CZ-CD2 3.91Å; F294-F298 AromaticContact CZ-CE2 3.35Å; F294-F298 HydrophobicContact CZ-CE2 3.35Å; F294-F298 HydrophobicContact CZ-CZ 4.23Å; F294-F298 PolarHBondContact O-N 3.47Å; F294-F298 VanDerWaalsContact O-N 3.07Å |
| 295 | I | 71.6 | Confident | 65.3 | Low | 96 Ų | 96 | 104.3 Ų | 104.3 | 49% | 0.492 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.5 | -46.2 | 176.8 | -66.9 | 165.8 | 0 | 0 | 0 | 110.5 | R291 Q292 K297 F298 S299 | R291-I295 WeakPolarHBondContact O-CG1 3.25Å; R291-I295 PolarHBondContact O-N 2.94Å; Q292-I295 PolarHBondContact O-N 2.87Å; I295-K297 VanDerWaalsContact C-N 3.29Å; I295-K297 PolarHBondContact O-N 2.74Å; I295-F298 PolarHBondContact O-N 3.16Å; I295-S299 PolarHBondContact O-N 3.02Å |
| 296 | D | 72.3 | Confident | 64 | Low | 77 Ų | 77 | 112 Ų | 112 | 41% | 0.412 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -59.2 | -42.1 | 178 | -68.7 | -10.5 | 0 | 0 | 0 | 110.9 | Q292 S299 C300 | Q292-D296 PolarHBondContact NE2-OD1 3.27Å; Q292-D296 WeakPolarHBondContact O-CB 3Å; Q292-D296 PolarHBondContact O-N 3.41Å; D296-S299 PolarHBondContact O-N 2.84Å; D296-S299 PolarHBondContact O-OG 2.89Å; D296-C300 PolarHBondContact O-N 3.29Å |
| 297 | K | 68.9 | Low | 63.4 | Low | 152 Ų | 152 | 113.3 Ų | 113.3 | 66% | 0.661 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -62.7 | -42.3 | 177.1 | -166.8 | 175 | -175.6 | -179 | 0 | 112.4 | A293 F294 I295 C300 T301 | A293-K297 VanDerWaalsContact O-CB 3.31Å; A293-K297 WeakPolarHBondContact O-CB 3.16Å; A293-K297 PolarHBondContact O-N 3.5Å; A293-K297 VanDerWaalsContact O-N 3.15Å; F294-K297 WeakPolarHBondContact O-CB 3.45Å; F294-K297 PolarHBondContact O-N 2.94Å; I295-K297 VanDerWaalsContact C-N 3.29Å; I295-K297 PolarHBondContact O-N 2.74Å; K297-C300 PolarHBondContact O-N 2.63Å; K297-T301 PolarHBondContact O-N 2.98Å; K297-T301 PolarHBondContact O-OG1 3.3Å |
| 298 | F | 59.4 | Low | 63 | Low | 122 Ų | 122 | 118.5 Ų | 118.5 | 54% | 0.535 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -65.8 | -41.2 | 173.6 | -95.4 | -93.8 | 0 | 0 | 0 | 112.4 | F294 I295 C300 T301 S302 | F294-F298 HydrophobicContact CD1-CD2 4.14Å; F294-F298 HydrophobicContact CD1-CE2 4.4Å; F294-F298 AromaticContact CE1-CD2 3.75Å; F294-F298 HydrophobicContact CE1-CD2 3.75Å; F294-F298 AromaticContact CE1-CE2 3.65Å; F294-F298 HydrophobicContact CE1-CE2 3.65Å; F294-F298 HydrophobicContact CE2-CD2 4.4Å; F294-F298 AromaticContact CE2-CE2 3.88Å; F294-F298 HydrophobicContact CE2-CE2 3.88Å; F294-F298 AromaticContact CZ-CD2 3.91Å; F294-F298 HydrophobicContact CZ-CD2 3.91Å; F294-F298 AromaticContact CZ-CE2 3.35Å; F294-F298 HydrophobicContact CZ-CE2 3.35Å; F294-F298 HydrophobicContact CZ-CZ 4.23Å; F294-F298 PolarHBondContact O-N 3.47Å; F294-F298 VanDerWaalsContact O-N 3.07Å; I295-F298 PolarHBondContact O-N 3.16Å; F298-C300 VanDerWaalsContact C-N 3.32Å; F298-C300 PolarHBondContact O-N 3.38Å; F298-T301 WeakPolarHBondContact CA-OG1 3.45Å; F298-T301 PolarHBondContact O-N 3.45Å; F298-T301 PolarHBondContact O-OG1 3.06Å; F298-S302 PolarHBondContact O-N 3.09Å; F298-S302 PolarHBondContact O-OG 2.97Å; F298-S302 VanDerWaalsContact O-OG 3.07Å |
| 299 | S | 60 | Low | 62.3 | Low | 63 Ų | 63 | 116.1 Ų | 116.1 | 44% | 0.441 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -64.2 | -33.8 | 178.1 | 80.1 | 0 | 0 | 0 | 0 | 113.2 | I295 D296 | I295-S299 PolarHBondContact O-N 3.02Å; D296-S299 PolarHBondContact O-N 2.84Å; D296-S299 PolarHBondContact O-OG 2.89Å |
| 300 | C | 53.2 | Low | 61.6 | Low | 90 Ų | 90 | 114.2 Ų | 114.2 | 61% | 0.608 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -73.7 | -37.4 | 174.9 | -87.2 | 0 | 0 | 0 | 0 | 113.2 | D296 K297 F298 S302 R303 T304 | D296-C300 PolarHBondContact O-N 3.29Å; K297-C300 PolarHBondContact O-N 2.63Å; F298-C300 VanDerWaalsContact C-N 3.32Å; F298-C300 PolarHBondContact O-N 3.38Å; C300-S302 PolarHBondContact O-N 2.73Å; C300-R303 PolarHBondContact O-N 2.9Å; C300-T304 PolarHBondContact O-OG1 3.08Å |
| 301 | T | 53.8 | Low | 60.7 | Low | 87 Ų | 87 | 116.2 Ų | 116.2 | 53% | 0.534 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -67.8 | -24.4 | 176.2 | 46.1 | 0 | 0 | 0 | 0 | 113.2 | K297 F298 R303 T304 | K297-T301 PolarHBondContact O-N 2.98Å; K297-T301 PolarHBondContact O-OG1 3.3Å; F298-T301 WeakPolarHBondContact CA-OG1 3.45Å; F298-T301 PolarHBondContact O-N 3.45Å; F298-T301 PolarHBondContact O-OG1 3.06Å; T301-R303 VanDerWaalsContact C-N 3.31Å; T301-R303 PolarHBondContact O-N 2.84Å; T301-T304 PolarHBondContact O-OG1 2.93Å |
| 302 | S | 50.5 | Low | 60.1 | Low | 96 Ų | 96 | 122.3 Ų | 122.3 | 67% | 0.671 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | -13.9 | 176.6 | -57.3 | 0 | 0 | 0 | 0 | 114.4 | F298 C300 | F298-S302 PolarHBondContact O-N 3.09Å; F298-S302 PolarHBondContact O-OG 2.97Å; F298-S302 VanDerWaalsContact O-OG 3.07Å; C300-S302 PolarHBondContact O-N 2.73Å |
| 303 | R | 52.4 | Low | 59 | Low | 227 Ų | 227 | 124.1 Ų | 124.1 | 86% | 0.857 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.5 | 11.6 | -176.7 | -81.2 | -172.7 | 171.5 | -176 | -0.8 | 115.2 | C300 T301 | C300-R303 PolarHBondContact O-N 2.9Å; T301-R303 VanDerWaalsContact C-N 3.31Å; T301-R303 PolarHBondContact O-N 2.84Å |
| 304 | T | 50.9 | Low | 57.8 | Low | 114 Ų | 114 | 129 Ų | 129 | 70% | 0.699 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -116.4 | 25.9 | -179.3 | 26.4 | 0 | 0 | 0 | 0 | 113.6 | C300 T301 | C300-T304 PolarHBondContact O-OG1 3.08Å; T301-T304 PolarHBondContact O-OG1 2.93Å |
| 305 | K | 46.4 | Very low | 56.7 | Low | 198 Ų | 198 | 132.8 Ų | 132.8 | 86% | 0.861 | 67% | 0.67 | S | S | * | * | trans | -136.6 | 61.6 | 171.7 | -71.6 | -172.2 | 177.5 | 179.1 | 0 | 112.3 | ||||
| 306 | E | 40.5 | Very low | 55.3 | Low | 272 Ų | 272 | 136.2 Ų | 136.2 | 100% | 1.271 | 69% | 0.686 | S | S | * | * | trans | -132.7 | 0 | 151.9 | -74.3 | -169.3 | 144.5 | 0 | 0 | 108.2 |
Retrieved 306 of 306 residues in 119.1 ms
(Link to these results)