| 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 | 80.1 | Confident | 82 | Confident | 44 Ų | 44 | 74.8 Ų | 74.8 | 22% | 0.217 | 40% | 0.397 | C | S | . | . | 0 | -59.8 | 0 | -169.3 | -169.1 | 59.8 | 0 | 0 | 112.6 | T5 W17 Y64 L66 F127 H128 | M1-T5 WeakPolarHBondContact O-CB 3.03Å; M1-T5 PolarHBondContact O-N 3.25Å; M1-T5 PolarHBondContact O-OG1 3.09Å; M1-W17 HydrophobicContact CB-CH2 4.43Å; M1-W17 HydrophobicContact CB-CZ3 3.95Å; M1-W17 VanDerWaalsContact N-CH2 3.3Å; M1-Y64 HydrophobicContact CE-CE1 4.46Å; M1-Y64 HydrophobicContact SD-CD1 3.37Å; M1-Y64 WeakPolarHBondContact SD-CD1 3.45Å; M1-Y64 HydrophobicContact SD-CE1 3.64Å; M1-Y64 HydrophobicContact SD-CG 4.26Å; M1-L66 HydrophobicContact CG-CD1 4.44Å; M1-L66 HydrophobicContact CG-CD2 3.49Å; M1-L66 VanDerWaalsContact CG-CD2 3.49Å; M1-L66 HydrophobicContact SD-CD2 4.22Å; M1-F127 HydrophobicContact CE-CD2 3.51Å; M1-F127 HydrophobicContact CE-CE2 4.17Å; M1-F127 HydrophobicContact CE-CG 4.49Å; M1-F127 HydrophobicContact CG-CB 3.98Å; M1-F127 HydrophobicContact CG-CD2 4.48Å; M1-F127 HydrophobicContact SD-CB 3.84Å; M1-F127 HydrophobicContact SD-CD2 3.87Å; M1-F127 HydrophobicContact SD-CG 4.37Å; M1-H128 PolarHBondContact SD-N 3.09Å | |||
| 2 | H | 82.6 | Confident | 82 | Confident | 88 Ų | 88 | 71.6 Ų | 71.6 | 41% | 0.407 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.9 | -52.1 | 179.9 | -65.8 | 153.4 | 0 | 0 | 0 | 112.3 | F4 T5 D6 D48 F127 | H2-F4 PolarHBondContact O-N 2.66Å; H2-T5 PolarHBondContact O-N 3.08Å; H2-D6 PolarHBondContact O-N 3.42Å; H2-D48 IonicContact CD2-OD2 3.09Å; H2-D48 IonicContact CE1-OD1 3.88Å; H2-D48 IonicContact NE2-OD1 2.97Å; H2-D48 PolarHBondContact NE2-OD1 3.13Å; H2-D48 IonicContact NE2-OD2 2.95Å; H2-D48 PolarHBondContact NE2-OD2 3.45Å; H2-F127 AromaticContact CD2-CE2 3.69Å; H2-F127 AromaticContact NE2-CE2 3.81Å |
| 3 | E | 85.9 | Confident | 82 | Confident | 155 Ų | 155 | 76.8 Ų | 76.8 | 72% | 0.724 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -54.4 | -52.9 | 174.8 | -177.3 | 177.6 | -172.3 | 0 | 0 | 111.2 | T5 D6 T7 | E3-T5 VanDerWaalsContact C-N 3.25Å; E3-T5 PolarHBondContact O-N 2.78Å; E3-D6 PolarHBondContact O-N 2.99Å; E3-T7 HydrophobicContact CG-CG2 4.32Å; E3-T7 PolarHBondContact O-N 3.01Å; E3-T7 PolarHBondContact O-OG1 3.3Å |
| 4 | F | 81.8 | Confident | 82.2 | Confident | 34 Ų | 34 | 73.3 Ų | 73.3 | 15% | 0.149 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -49.8 | -46 | 174.5 | 179.6 | -99.2 | 0 | 0 | 0 | 112.1 | H2 D6 R8 T12 E15 W17 L66 | H2-F4 PolarHBondContact O-N 2.66Å; F4-D6 PolarHBondContact O-N 2.88Å; F4-R8 HydrophobicContact CD1-CG 4.46Å; F4-R8 HydrophobicContact CE1-CG 4.34Å; F4-R8 WeakPolarHBondContact O-CG 3.45Å; F4-R8 PolarHBondContact O-N 2.93Å; F4-T12 HydrophobicContact CE2-CG2 3.99Å; F4-T12 HydrophobicContact CZ-CG2 4Å; F4-E15 HydrophobicContact CE1-CB 4.3Å; F4-E15 HydrophobicContact CE1-CG 4.29Å; F4-E15 HydrophobicContact CE2-CG 4.16Å; F4-E15 WeakPolarHBondContact CE2-OE1 3.45Å; F4-E15 HydrophobicContact CZ-CB 4.15Å; F4-E15 HydrophobicContact CZ-CG 3.65Å; F4-E15 WeakPolarHBondContact CZ-OE1 3.36Å; F4-W17 HydrophobicContact CB-CZ2 4.46Å; F4-W17 HydrophobicContact CG-CZ2 4.46Å; F4-L66 HydrophobicContact CD1-CB 4.13Å; F4-L66 HydrophobicContact CD1-CD1 3.78Å; F4-L66 HydrophobicContact CD1-CG 4.4Å; F4-L66 HydrophobicContact CE1-CB 3.8Å; F4-L66 HydrophobicContact CE1-CD1 4.07Å; F4-L66 HydrophobicContact CE1-CG 4.5Å |
| 5 | T | 82.1 | Confident | 82.3 | Confident | 5 Ų | 5 | 73 Ų | 73 | 3% | 0.031 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -68.7 | -33.8 | -179.3 | -54.9 | 0 | 0 | 0 | 0 | 112.7 | M1 H2 E3 C125 F127 | M1-T5 WeakPolarHBondContact O-CB 3.03Å; M1-T5 PolarHBondContact O-N 3.25Å; M1-T5 PolarHBondContact O-OG1 3.09Å; H2-T5 PolarHBondContact O-N 3.08Å; E3-T5 VanDerWaalsContact C-N 3.25Å; E3-T5 PolarHBondContact O-N 2.78Å; T5-C125 HydrophobicContact CG2-CB 4.05Å; T5-F127 HydrophobicContact CG2-CD1 3.89Å; T5-F127 HydrophobicContact CG2-CE1 4.42Å; T5-F127 HydrophobicContact CG2-CG 4.48Å |
| 6 | D | 83.2 | Confident | 82.2 | Confident | 50 Ų | 50 | 73.9 Ų | 73.9 | 27% | 0.267 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -81.5 | -26.8 | -175.3 | -75.6 | -12.4 | 0 | 0 | 0 | 113.1 | H2 E3 F4 R122 R123 | H2-D6 PolarHBondContact O-N 3.42Å; E3-D6 PolarHBondContact O-N 2.99Å; F4-D6 PolarHBondContact O-N 2.88Å; D6-R122 IonicContact OD1-CZ 3.45Å; D6-R122 VanDerWaalsContact OD1-CZ 3.22Å; D6-R122 IonicContact OD1-NE 2.83Å; D6-R122 IonicContact OD1-NH1 3.1Å; D6-R122 PolarHBondContact OD1-NH1 3.24Å; D6-R122 IonicContact OD2-CZ 3.65Å; D6-R122 IonicContact OD2-NH1 3.22Å; D6-R122 PolarHBondContact OD2-NH1 3.17Å; D6-R122 IonicContact OD2-NH2 2.96Å; D6-R123 PolarHBondContact O-NH1 2.94Å |
| 7 | T | 85.1 | Confident | 82.3 | Confident | 101 Ų | 101 | 74.5 Ų | 74.5 | 62% | 0.62 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -95.5 | -4.2 | -178.6 | 58.9 | 0 | 0 | 0 | 0 | 114.4 | E3 | E3-T7 HydrophobicContact CG-CG2 4.32Å; E3-T7 PolarHBondContact O-N 3.01Å; E3-T7 PolarHBondContact O-OG1 3.3Å |
| 8 | R | 80.1 | Confident | 82.2 | Confident | 30 Ų | 30 | 73.7 Ų | 73.7 | 11% | 0.113 | 38% | 0.382 | C | S | . | . | trans | -63.6 | 144.8 | -179.9 | -47.2 | -173.3 | 62.9 | -178 | -4.4 | 112.4 | F4 T12 L13 D14 L66 | F4-R8 HydrophobicContact CD1-CG 4.46Å; F4-R8 HydrophobicContact CE1-CG 4.34Å; F4-R8 WeakPolarHBondContact O-CG 3.45Å; F4-R8 PolarHBondContact O-N 2.93Å; R8-T12 HydrophobicContact CB-CG2 4.21Å; R8-T12 HydrophobicContact CG-CG2 4.14Å; R8-T12 PolarHBondContact NH2-O 3.39Å; R8-L13 PolarHBondContact NH2-O 3.41Å; R8-D14 IonicContact CZ-OD1 3.91Å; R8-D14 IonicContact NH1-OD1 2.9Å; R8-D14 IonicContact NH2-OD1 3.98Å; R8-D14 PolarHBondContact NH2-OD1 3.43Å; R8-L66 PolarHBondContact NH1-O 3.12Å | ||
| 9 | D | 82.7 | Confident | 82.4 | Confident | 85 Ų | 85 | 72.4 Ų | 72.4 | 46% | 0.455 | 38% | 0.377 | S | S | . | . | trans | -115.3 | -174.5 | 163.1 | 63.7 | 31.2 | 0 | 0 | 0 | 111.6 | S11 T12 | D9-S11 PolarHBondContact O-N 2.9Å; D9-S11 WeakPolarHBondContact OD1-CA 2.81Å; D9-S11 WeakPolarHBondContact OD1-CB 3.34Å; D9-S11 PolarHBondContact OD1-N 2.89Å; D9-S11 PolarHBondContact OD1-OG 2.87Å; D9-T12 PolarHBondContact N-OG1 3.29Å; D9-T12 PolarHBondContact O-N 2.84Å; D9-T12 PolarHBondContact OD1-N 3.03Å; D9-T12 PolarHBondContact OD1-OG1 3.35Å | ||
| 10 | D | 78.5 | Confident | 82.7 | Confident | 139 Ų | 139 | 73 Ų | 73 | 74% | 0.743 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -67.4 | -19 | -178.8 | -71.5 | -29.7 | 0 | 0 | 0 | 113.5 | R71 | D10-R71 PolarHBondContact O-NH1 3.45Š|
| 11 | S | 79.9 | Confident | 83.2 | Confident | 92 Ų | 92 | 72.4 Ų | 72.4 | 64% | 0.643 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -92 | -24.8 | 179 | 76.5 | 0 | 0 | 0 | 0 | 113.2 | D9 L13 | D9-S11 PolarHBondContact O-N 2.9Å; D9-S11 WeakPolarHBondContact OD1-CA 2.81Å; D9-S11 WeakPolarHBondContact OD1-CB 3.34Å; D9-S11 PolarHBondContact OD1-N 2.89Å; D9-S11 PolarHBondContact OD1-OG 2.87Å; S11-L13 PolarHBondContact O-N 3.13Å |
| 12 | T | 81.6 | Confident | 83.8 | Confident | 36 Ų | 36 | 80.1 Ų | 80.1 | 22% | 0.221 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -57.6 | 122.7 | -178.6 | -52.2 | 0 | 0 | 0 | 0 | 111 | F4 R8 D9 R71 | F4-T12 HydrophobicContact CE2-CG2 3.99Å; F4-T12 HydrophobicContact CZ-CG2 4Å; R8-T12 HydrophobicContact CB-CG2 4.21Å; R8-T12 HydrophobicContact CG-CG2 4.14Å; R8-T12 PolarHBondContact NH2-O 3.39Å; D9-T12 PolarHBondContact N-OG1 3.29Å; D9-T12 PolarHBondContact O-N 2.84Å; D9-T12 PolarHBondContact OD1-N 3.03Å; D9-T12 PolarHBondContact OD1-OG1 3.35Å; T12-R71 PolarHBondContact O-NH1 3.03Å; T12-R71 PolarHBondContact O-NH2 3.45Å |
| 13 | L | 82.9 | Confident | 84.5 | Confident | 139 Ų | 139 | 78.5 Ų | 78.5 | 73% | 0.728 | 40% | 0.399 | S | S | * | . | P | Polyproline II helix | trans | -62.2 | 155.4 | -178.7 | -64.5 | 178.6 | 0 | 0 | 0 | 111.8 | R8 S11 | R8-L13 PolarHBondContact NH2-O 3.41Å; S11-L13 PolarHBondContact O-N 3.13Å |
| 14 | D | 85 | Confident | 85 | Confident | 28 Ų | 28 | 71.8 Ų | 71.8 | 15% | 0.15 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -78.4 | 142.9 | 172.9 | -68.5 | -34.8 | 0 | 0 | 0 | 110.2 | R8 L67 N68 R71 R72 | R8-D14 IonicContact CZ-OD1 3.91Å; R8-D14 IonicContact NH1-OD1 2.9Å; R8-D14 IonicContact NH2-OD1 3.98Å; R8-D14 PolarHBondContact NH2-OD1 3.43Å; D14-L67 HydrophobicContact CB-CD2 3.64Å; D14-L67 WeakPolarHBondContact OD1-CA 3.27Å; D14-N68 PolarHBondContact OD1-N 3.17Å; D14-R71 IonicContact OD1-CZ 3.2Å; D14-R71 IonicContact OD1-NH2 3.84Å; D14-R71 PolarHBondContact OD1-NH2 2.99Å; D14-R71 IonicContact OD2-NH2 2.73Å; D14-R71 PolarHBondContact OD2-NH2 3.12Å; D14-R72 IonicContact OD2-CZ 3.08Å; D14-R72 IonicContact OD2-NE 3.71Å; D14-R72 PolarHBondContact OD2-NE 3.09Å; D14-R72 IonicContact OD2-NH2 3.82Å; D14-R72 PolarHBondContact OD2-NH2 2.87Å |
| 15 | E | 83.5 | Confident | 85.5 | Confident | 69 Ų | 69 | 70.2 Ų | 70.2 | 32% | 0.322 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 146.7 | -178.5 | -66.3 | -175.8 | -165.5 | 0 | 0 | 111.3 | F4 W17 L66 | F4-E15 HydrophobicContact CE1-CB 4.3Å; F4-E15 HydrophobicContact CE1-CG 4.29Å; F4-E15 HydrophobicContact CE2-CG 4.16Å; F4-E15 WeakPolarHBondContact CE2-OE1 3.45Å; F4-E15 HydrophobicContact CZ-CB 4.15Å; F4-E15 HydrophobicContact CZ-CG 3.65Å; F4-E15 WeakPolarHBondContact CZ-OE1 3.36Å; E15-W17 WeakPolarHBondContact OE2-CZ2 3.36Å; E15-W17 PolarHBondContact OE2-NE1 2.98Å; E15-L66 HydrophobicContact CB-CB 4.33Å; E15-L66 HydrophobicContact CB-CD1 4.3Å; E15-L66 PolarHBondContact N-O 3.13Å; E15-L66 VanDerWaalsContact N-O 3.15Å; E15-L66 WeakPolarHBondContact O-CA 3.48Å; E15-L66 WeakPolarHBondContact O-CB 3.43Å; E15-L66 PolarHBondContact O-N 3.2Å |
| 16 | I | 81 | Confident | 86 | Confident | 87 Ų | 87 | 70.7 Ų | 70.7 | 45% | 0.446 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 119.1 | 169.8 | -61.5 | 176.3 | 0 | 0 | 0 | 106.8 | M63 Y64 | I16-M63 HydrophobicContact CG2-CG 3.53Å; I16-M63 HydrophobicContact CG2-SD 3.79Å; I16-Y64 CarbonylContact C-O 3.48Å; I16-Y64 VanDerWaalsContact CA-O 3.26Å; I16-Y64 WeakPolarHBondContact CA-O 3.39Å |
| 17 | W | 83 | Confident | 86.3 | Confident | 85 Ų | 85 | 69.1 Ų | 69.1 | 32% | 0.322 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 124.7 | 179 | -51.9 | -14.2 | 0 | 0 | 0 | 109.8 | M1 F4 E15 V19 M63 Y64 L66 | M1-W17 HydrophobicContact CB-CH2 4.43Å; M1-W17 HydrophobicContact CB-CZ3 3.95Å; M1-W17 VanDerWaalsContact N-CH2 3.3Å; F4-W17 HydrophobicContact CB-CZ2 4.46Å; F4-W17 HydrophobicContact CG-CZ2 4.46Å; E15-W17 WeakPolarHBondContact OE2-CZ2 3.36Å; E15-W17 PolarHBondContact OE2-NE1 2.98Å; W17-V19 HydrophobicContact CB-CG1 4.49Å; W17-M63 CarbonylContact O-C 3.6Å; W17-M63 VanDerWaalsContact O-CA 3.31Å; W17-M63 WeakPolarHBondContact O-CA 3.29Å; W17-Y64 HydrophobicContact CB-CD2 4.29Å; W17-Y64 PolarHBondContact N-O 2.92Å; W17-Y64 PolarHBondContact O-N 3.39Å; W17-L66 HydrophobicContact CD2-CD1 3.76Å; W17-L66 VanDerWaalsContact CE2-CD1 3.44Å; W17-L66 HydrophobicContact CE3-CD1 4.28Å; W17-L66 HydrophobicContact CG-CD1 4.23Å; W17-L66 HydrophobicContact CH2-CD1 4.31Å; W17-L66 HydrophobicContact CZ2-CD1 3.73Å |
| 18 | L | 81.2 | Confident | 86.3 | Confident | 59 Ų | 59 | 64.4 Ų | 64.4 | 31% | 0.309 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 117.2 | 172.1 | -69.3 | 174.8 | 0 | 0 | 0 | 108.5 | Q61 V62 M63 A170 V173 | L18-Q61 HydrophobicContact CD2-CG 4.17Å; L18-V62 WeakPolarHBondContact CA-O 3.42Å; L18-M63 HydrophobicContact CD2-CB 3.68Å; L18-M63 HydrophobicContact CD2-CG 3.66Å; L18-M63 HydrophobicContact CD2-SD 4.01Å; L18-A170 HydrophobicContact CD1-CB 4.18Å; L18-V173 HydrophobicContact CD2-CG1 4.5Å |
| 19 | V | 86.1 | Confident | 86.5 | Confident | 49 Ų | 49 | 69.2 Ų | 69.2 | 30% | 0.297 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 166.5 | -177.8 | -55.5 | 0 | 0 | 0 | 0 | 111.3 | W17 Q61 V62 Y64 | W17-V19 HydrophobicContact CB-CG1 4.49Å; V19-Q61 PolarHBondContact O-NE2 3.03Å; V19-V62 HydrophobicContact CG2-CB 4.14Å; V19-V62 HydrophobicContact CG2-CG1 4.4Å; V19-V62 PolarHBondContact N-O 3.47Å; V19-V62 PolarHBondContact O-N 3.1Å; V19-Y64 HydrophobicContact CG2-CD2 3.99Å; V19-Y64 HydrophobicContact CG2-CE2 3.59Å |
| 20 | E | 88.1 | Confident | 86.4 | Confident | 85 Ų | 85 | 67.9 Ų | 67.9 | 40% | 0.397 | 35% | 0.352 | S | S | . | . | trans | -112.7 | 156.6 | 161.8 | -61.8 | -166.8 | -130.2 | 0 | 0 | 109.4 | G59 T166 | E20-G59 PolarHBondContact OE2-N 3.15Å; E20-T166 HydrophobicContact CG-CG2 4.05Å; E20-T166 WeakPolarHBondContact OE1-CB 3.31Å; E20-T166 WeakPolarHBondContact OE1-CG2 3.25Å; E20-T166 PolarHBondContact OE1-OG1 2.84Å | ||
| 21 | H | 92.6 | Very high | 86.4 | Confident | 60 Ų | 60 | 61.9 Ų | 61.9 | 28% | 0.278 | 32% | 0.323 | S | S | . | . | trans | -117 | 151.1 | 176.2 | -76.5 | -85.3 | 0 | 0 | 0 | 111 | H56 G57 P58 Y64 | H21-H56 HydrophobicContact CB-CB 4.04Å; H21-G57 CarbonylContact O-C 3.59Å; H21-G57 VanDerWaalsContact O-CA 3.25Å; H21-G57 WeakPolarHBondContact O-CA 3.19Å; H21-P58 WeakPolarHBondContact O-CD 3.28Å; H21-Y64 PolarHBondContact CE1-OH 3.05Å; H21-Y64 VanDerWaalsContact CE1-OH 3.28Å; H21-Y64 AromaticContact NE2-CE2 3.65Å; H21-Y64 AromaticContact NE2-CZ 3.67Å; H21-Y64 PolarHBondContact NE2-OH 2.9Å | ||
| 22 | Y | 92.9 | Very high | 86.4 | Confident | 206 Ų | 206 | 62.8 Ų | 62.8 | 81% | 0.808 | 32% | 0.315 | S | S | * | . | trans | -60.2 | 156.4 | 161 | -65.1 | -72.4 | 0 | 0 | 0 | 110.3 | V24 | Y22-V24 WeakPolarHBondContact O-CG1 3.13Å; Y22-V24 PolarHBondContact O-N 3.01Å; Y22-V24 VanDerWaalsContact O-N 3.11Å | ||
| 23 | P | 96.5 | Very high | 86.3 | Confident | 54 Ų | 54 | 64.2 Ų | 64.2 | 35% | 0.351 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -51.7 | 119.2 | 177.7 | -28.2 | 37.2 | 0 | 0 | 0 | 112.2 | I42 P43 Y55 H56 | P23-I42 HydrophobicContact CB-CD1 4.48Å; P23-I42 HydrophobicContact CB-CG1 4.35Å; P23-I42 HydrophobicContact CB-CG2 4.33Å; P23-P43 WeakPolarHBondContact O-CD 3.37Å; P23-Y55 HydrophobicContact CB-CE2 4.1Å; P23-H56 CarbonylContact C-O 3.53Å; P23-H56 VanDerWaalsContact CA-O 3.28Å; P23-H56 WeakPolarHBondContact CA-O 3.19Å |
| 24 | V | 96.4 | Very high | 86.4 | Confident | 15 Ų | 15 | 63.4 Ų | 63.4 | 9% | 0.091 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 138.6 | 179.8 | 63.2 | 0 | 0 | 0 | 0 | 111.1 | Y22 T26 P43 I45 Y55 H56 | Y22-V24 WeakPolarHBondContact O-CG1 3.13Å; Y22-V24 PolarHBondContact O-N 3.01Å; Y22-V24 VanDerWaalsContact O-N 3.11Å; V24-T26 HydrophobicContact CG1-CG2 4.36Å; V24-T26 HydrophobicContact CG2-CG2 4.33Å; V24-P43 HydrophobicContact CB-CG 4.43Å; V24-P43 HydrophobicContact CG2-CG 4.27Å; V24-I45 HydrophobicContact CG2-CB 4.26Å; V24-I45 HydrophobicContact CG2-CD1 3.73Å; V24-I45 HydrophobicContact CG2-CG1 3.79Å; V24-Y55 WeakPolarHBondContact O-CD2 3.21Å; V24-H56 HydrophobicContact CG1-CB 3.94Å; V24-H56 PolarHBondContact N-O 2.91Å; V24-H56 PolarHBondContact O-N 2.9Å |
| 25 | F | 93.8 | Very high | 86.4 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 129.7 | 163.9 | -67.9 | -65.5 | 0 | 0 | 0 | 109.1 | P39 I42 P43 V44 I45 T54 Y55 P140 R143 I144 | F25-P39 HydrophobicContact CD2-CB 4Å; F25-P39 HydrophobicContact CE2-CB 4.12Å; F25-I42 HydrophobicContact CD2-CB 3.87Å; F25-I42 HydrophobicContact CD2-CG2 3.52Å; F25-I42 HydrophobicContact CE2-CB 3.67Å; F25-I42 HydrophobicContact CE2-CD1 4.03Å; F25-I42 HydrophobicContact CE2-CG1 4.42Å; F25-I42 HydrophobicContact CE2-CG2 3.69Å; F25-I42 HydrophobicContact CG-CG2 4.25Å; F25-I42 HydrophobicContact CZ-CD1 4.26Å; F25-P43 PolarHBondContact N-O 2.88Å; F25-V44 HydrophobicContact CB-CG2 4.09Å; F25-V44 HydrophobicContact CD2-CG2 4.37Å; F25-V44 CarbonylContact O-C 3.35Å; F25-V44 WeakPolarHBondContact O-CA 3.21Å; F25-I45 PolarHBondContact O-N 2.95Å; F25-T54 WeakPolarHBondContact CA-O 3.4Å; F25-Y55 HydrophobicContact CD1-CD2 4.03Å; F25-Y55 HydrophobicContact CD1-CG 4.38Å; F25-Y55 AromaticContact CE1-CD2 3.86Å; F25-Y55 HydrophobicContact CE1-CD2 3.86Å; F25-Y55 HydrophobicContact CE1-CG 4.08Å; F25-Y55 HydrophobicContact CZ-CD2 4.33Å; F25-P140 HydrophobicContact CE1-CB 4.15Å; F25-P140 WeakPolarHBondContact CE1-O 3.37Å; F25-P140 HydrophobicContact CZ-CB 3.83Å; F25-P140 WeakPolarHBondContact CZ-O 3.04Å; F25-R143 HydrophobicContact CZ-CB 4.09Å; F25-I144 HydrophobicContact CD1-CD1 4.15Å; F25-I144 HydrophobicContact CD1-CG2 3.6Å; F25-I144 HydrophobicContact CE1-CD1 4.17Å; F25-I144 HydrophobicContact CE1-CG1 4.26Å; F25-I144 HydrophobicContact CE1-CG2 3.54Å; F25-I144 HydrophobicContact CG-CG2 4.3Å; F25-I144 HydrophobicContact CZ-CG2 4.21Å |
| 26 | T | 92.8 | Very high | 86.5 | Confident | 15 Ų | 15 | 61.2 Ų | 61.2 | 9% | 0.092 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 133.7 | 173.1 | 61.1 | 0 | 0 | 0 | 0 | 109.8 | V24 I45 R49 V53 T54 H56 | V24-T26 HydrophobicContact CG1-CG2 4.36Å; V24-T26 HydrophobicContact CG2-CG2 4.33Å; T26-I45 WeakPolarHBondContact CA-O 3.28Å; T26-R49 PolarHBondContact O-NH2 3.36Å; T26-R49 PolarHBondContact OG1-NE 3.04Å; T26-R49 PolarHBondContact OG1-NH2 2.92Å; T26-V53 VanDerWaalsContact O-CA 3.31Å; T26-V53 WeakPolarHBondContact O-CA 3.3Å; T26-T54 PolarHBondContact N-O 3.29Å; T26-T54 PolarHBondContact O-N 3.36Å; T26-T54 WeakPolarHBondContact OG1-CG2 3.45Å; T26-H56 PolarHBondContact OG1-NE2 3.18Å |
| 27 | Q | 88 | Confident | 86.9 | Confident | 17 Ų | 17 | 61.6 Ų | 61.6 | 8% | 0.079 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 110.7 | 171.7 | -177.6 | 175.2 | -6.2 | 0 | 0 | 108.1 | G31 I45 S47 V53 | Q27-G31 PolarHBondContact NE2-O 3.35Å; Q27-I45 PolarHBondContact N-O 2.97Å; Q27-S47 PolarHBondContact O-N 3.36Å; Q27-V53 HydrophobicContact CB-CG2 4.33Å; Q27-V53 HydrophobicContact CG-CG2 4.11Å |
| 28 | G | 86.5 | Confident | 87 | Confident | 3 Ų | 3 | 63.6 Ų | 63.6 | 3% | 0.031 | 33% | 0.329 | C | S | . | . | trans | -73.3 | 178.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A30 G31 S47 R49 G51 Q52 | G28-A30 VanDerWaalsContact C-N 3.29Å; G28-A30 PolarHBondContact O-N 3.22Å; G28-G31 VanDerWaalsContact O-CA 3.27Å; G28-G31 WeakPolarHBondContact O-CA 3.34Å; G28-G31 PolarHBondContact O-N 3.4Å; G28-S47 CarbonylContact C-O 3.51Å; G28-S47 WeakPolarHBondContact CA-O 3.46Å; G28-R49 CarbonylContact C-O 3.54Å; G28-R49 WeakPolarHBondContact CA-O 3.3Å; G28-G51 CarbonylContact C-O 3.53Å; G28-G51 WeakPolarHBondContact CA-O 3.38Å; G28-Q52 PolarHBondContact N-O 2.94Å; G28-Q52 VanDerWaalsContact N-O 3.07Å | ||
| 29 | Q | 82.7 | Confident | 87.1 | Confident | 131 Ų | 131 | 62.7 Ų | 62.7 | 61% | 0.612 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -33.4 | -177.1 | -72.8 | -71 | -64.7 | 0 | 0 | 114.5 | G31 D48 R49 | Q29-G31 VanDerWaalsContact C-N 3.3Å; Q29-D48 WeakPolarHBondContact CG-O 3.42Å; Q29-R49 PolarHBondContact N-O 3.15Å |
| 30 | A | 80.6 | Confident | 87.2 | Confident | 56 Ų | 56 | 62.8 Ų | 62.8 | 46% | 0.463 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -5.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | G28 K32 G51 Q52 | G28-A30 VanDerWaalsContact C-N 3.29Å; G28-A30 PolarHBondContact O-N 3.22Å; A30-K32 PolarHBondContact O-N 2.9Å; A30-G51 PolarHBondContact N-O 3.46Å; A30-Q52 PolarHBondContact O-NE2 2.96Å; A30-Q52 PolarHBondContact O-OE1 2.85Å |
| 31 | G | 80 | Confident | 87.2 | Confident | 13 Ų | 13 | 66.9 Ų | 66.9 | 13% | 0.134 | 36% | 0.363 | C | S | . | . | trans | -57.9 | 122.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q27 G28 Q29 G51 | Q27-G31 PolarHBondContact NE2-O 3.35Å; G28-G31 VanDerWaalsContact O-CA 3.27Å; G28-G31 WeakPolarHBondContact O-CA 3.34Å; G28-G31 PolarHBondContact O-N 3.4Å; Q29-G31 VanDerWaalsContact C-N 3.3Å; G31-G51 PolarHBondContact N-O 2.92Å | ||
| 32 | K | 78.4 | Confident | 87.3 | Confident | 111 Ų | 111 | 65.1 Ų | 65.1 | 48% | 0.483 | 36% | 0.355 | S | S | . | . | trans | -98.4 | 142.4 | 168.8 | -57.5 | -179.2 | 179.8 | 179.2 | 0 | 111.2 | A30 E34 H35 | A30-K32 PolarHBondContact O-N 2.9Å; K32-E34 HydrophobicContact CB-CG 3.77Å; K32-E34 HydrophobicContact CD-CG 4.18Å; K32-E34 WeakPolarHBondContact CD-OE1 3.45Å; K32-E34 IonicContact NZ-OE1 2.75Å; K32-E34 PolarHBondContact NZ-OE1 3.01Å; K32-E34 VanDerWaalsContact NZ-OE1 3.09Å; K32-E34 PolarHBondContact O-N 3.46Å; K32-H35 WeakPolarHBondContact O-CB 3.35Å; K32-H35 PolarHBondContact O-N 3.09Å | ||
| 33 | A | 80.4 | Confident | 87.4 | Confident | 67 Ų | 67 | 58.6 Ų | 58.6 | 55% | 0.554 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -59.9 | -30.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | H35 I36 | A33-H35 PolarHBondContact O-N 2.75Å; A33-H35 VanDerWaalsContact O-N 3.15Å; A33-I36 WeakPolarHBondContact O-CB 3.37Å; A33-I36 PolarHBondContact O-N 2.9Å |
| 34 | E | 84.8 | Confident | 87.2 | Confident | 122 Ų | 122 | 58.7 Ų | 58.7 | 57% | 0.57 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -62.4 | -17.3 | 176.4 | 69.1 | -167.6 | -172.8 | 0 | 0 | 114.3 | K32 I36 | K32-E34 HydrophobicContact CB-CG 3.77Å; K32-E34 HydrophobicContact CD-CG 4.18Å; K32-E34 WeakPolarHBondContact CD-OE1 3.45Å; K32-E34 IonicContact NZ-OE1 2.75Å; K32-E34 PolarHBondContact NZ-OE1 3.01Å; K32-E34 VanDerWaalsContact NZ-OE1 3.09Å; K32-E34 PolarHBondContact O-N 3.46Å; E34-I36 VanDerWaalsContact C-N 3.29Å |
| 35 | H | 85.7 | Confident | 86.9 | Confident | 19 Ų | 19 | 62.5 Ų | 62.5 | 9% | 0.088 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -85.1 | -1.8 | 175.1 | -62.1 | -45.5 | 0 | 0 | 0 | 113.2 | K32 A33 Q52 V53 I144 N145 G148 | K32-H35 WeakPolarHBondContact O-CB 3.35Å; K32-H35 PolarHBondContact O-N 3.09Å; A33-H35 PolarHBondContact O-N 2.75Å; A33-H35 VanDerWaalsContact O-N 3.15Å; H35-Q52 PolarHBondContact CD2-OE1 3.47Å; H35-V53 HydrophobicContact CB-CB 4.38Å; H35-V53 HydrophobicContact CB-CG2 3.93Å; H35-I144 CarbonylContact O-C 3.59Å; H35-I144 VanDerWaalsContact O-CA 3.22Å; H35-I144 WeakPolarHBondContact O-CA 3.1Å; H35-I144 WeakPolarHBondContact O-CB 3.34Å; H35-N145 HydrophobicContact CB-CB 4.09Å; H35-N145 PolarHBondContact O-N 2.86Å; H35-G148 VanDerWaalsContact CE1-CA 3.43Å; H35-G148 WeakPolarHBondContact CE1-CA 3.25Å; H35-G148 PolarHBondContact CE1-O 2.89Å; H35-G148 WeakPolarHBondContact NE2-CA 3.2Å |
| 36 | I | 86.1 | Confident | 86.7 | Confident | 31 Ų | 31 | 68.8 Ų | 68.8 | 16% | 0.159 | 39% | 0.386 | C | S | . | . | B | Isolated β-bridge | trans | -98.4 | 110.4 | 170.6 | -59.8 | 158.6 | 0 | 0 | 0 | 107.4 | A33 E34 P39 V44 V53 | A33-I36 WeakPolarHBondContact O-CB 3.37Å; A33-I36 PolarHBondContact O-N 2.9Å; E34-I36 VanDerWaalsContact C-N 3.29Å; I36-P39 HydrophobicContact CG2-CB 4.14Å; I36-P39 HydrophobicContact CG2-CG 4Å; I36-V44 HydrophobicContact CD1-CG1 3.53Å; I36-V44 HydrophobicContact CG2-CG2 4.28Å; I36-V53 HydrophobicContact CD1-CG2 4.37Å; I36-V53 HydrophobicContact CG1-CG1 3.87Å; I36-V53 HydrophobicContact CG1-CG2 3.89Å |
| 37 | L | 88.4 | Confident | 86.5 | Confident | 95 Ų | 95 | 69 Ų | 69 | 50% | 0.497 | 39% | 0.388 | S | S | . | . | trans | -90.5 | -53.7 | -172.3 | -51.9 | 174.8 | 0 | 0 | 0 | 111.4 | R143 | L37-R143 WeakPolarHBondContact CA-O 3.21Å; L37-R143 VanDerWaalsContact CB-O 3.27Å; L37-R143 WeakPolarHBondContact CB-O 3.49Å; L37-R143 PolarHBondContact N-O 3.22Å | ||
| 38 | M | 85.4 | Confident | 86.3 | Confident | 127 Ų | 127 | 69.2 Ų | 69.2 | 63% | 0.626 | 39% | 0.389 | S | S | * | . | trans | -153.8 | 80 | -175.4 | -168.9 | 178.2 | 72.3 | 0 | 0 | 110.9 | G40 R143 | M38-G40 PolarHBondContact O-N 3.15Å; M38-R143 PolarHBondContact N-O 2.73Å; M38-R143 WeakPolarHBondContact O-CB 3.38Å; M38-R143 VanDerWaalsContact O-CD 3.25Å; M38-R143 WeakPolarHBondContact O-CD 3.47Å | ||
| 39 | P | 83.1 | Confident | 86.3 | Confident | 41 Ų | 41 | 70 Ų | 70 | 27% | 0.266 | 39% | 0.392 | S | S | . | . | trans | -65 | -29.2 | -171.6 | 25.4 | -31.7 | 0 | 0 | 0 | 112.8 | F25 I36 I42 V44 | F25-P39 HydrophobicContact CD2-CB 4Å; F25-P39 HydrophobicContact CE2-CB 4.12Å; I36-P39 HydrophobicContact CG2-CB 4.14Å; I36-P39 HydrophobicContact CG2-CG 4Å; P39-I42 PolarHBondContact O-N 2.77Å; P39-V44 HydrophobicContact CB-CG2 3.64Å; P39-V44 HydrophobicContact CG-CG2 4.15Å | ||
| 40 | G | 87.7 | Confident | 86.3 | Confident | 51 Ų | 51 | 64.9 Ų | 64.9 | 53% | 0.526 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.8 | -136.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | M38 I42 | M38-G40 PolarHBondContact O-N 3.15Å; G40-I42 VanDerWaalsContact C-N 3.26Å; G40-I42 PolarHBondContact O-N 3.27Å |
| 41 | D | 88.7 | Confident | 86.5 | Confident | 170 Ų | 170 | 64 Ų | 64 | 91% | 0.909 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -3.4 | -178.9 | -52.8 | -45.6 | 0 | 0 | 0 | 114 | ||
| 42 | I | 95 | Very high | 86.7 | Confident | 24 Ų | 24 | 65.4 Ų | 65.4 | 12% | 0.123 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -81.3 | 124.3 | 179.1 | -60.9 | 174.6 | 0 | 0 | 0 | 108.8 | P23 F25 P39 G40 Y55 P140 | P23-I42 HydrophobicContact CB-CD1 4.48Å; P23-I42 HydrophobicContact CB-CG1 4.35Å; P23-I42 HydrophobicContact CB-CG2 4.33Å; F25-I42 HydrophobicContact CD2-CB 3.87Å; F25-I42 HydrophobicContact CD2-CG2 3.52Å; F25-I42 HydrophobicContact CE2-CB 3.67Å; F25-I42 HydrophobicContact CE2-CD1 4.03Å; F25-I42 HydrophobicContact CE2-CG1 4.42Å; F25-I42 HydrophobicContact CE2-CG2 3.69Å; F25-I42 HydrophobicContact CG-CG2 4.25Å; F25-I42 HydrophobicContact CZ-CD1 4.26Å; P39-I42 PolarHBondContact O-N 2.77Å; G40-I42 VanDerWaalsContact C-N 3.26Å; G40-I42 PolarHBondContact O-N 3.27Å; I42-Y55 HydrophobicContact CD1-CE2 4.09Å; I42-Y55 HydrophobicContact CG2-CE2 4.36Å; I42-P140 HydrophobicContact CD1-CB 3.94Å; I42-P140 HydrophobicContact CD1-CG 4.02Å |
| 43 | P | 93.7 | Very high | 87.3 | Confident | 69 Ų | 69 | 60.3 Ų | 60.3 | 45% | 0.448 | 35% | 0.351 | S | S | . | . | trans | -63.9 | 144.9 | -178.3 | 25.6 | -34.1 | 0 | 0 | 0 | 112 | P23 V24 F25 | P23-P43 WeakPolarHBondContact O-CD 3.37Å; V24-P43 HydrophobicContact CB-CG 4.43Å; V24-P43 HydrophobicContact CG2-CG 4.27Å; F25-P43 PolarHBondContact N-O 2.88Å | ||
| 44 | V | 92.4 | Very high | 87.9 | Confident | 56 Ų | 56 | 57.5 Ų | 57.5 | 34% | 0.339 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 117.6 | 172.1 | -177.5 | 0 | 0 | 0 | 0 | 108.7 | F25 I36 P39 | F25-V44 HydrophobicContact CB-CG2 4.09Å; F25-V44 HydrophobicContact CD2-CG2 4.37Å; F25-V44 CarbonylContact O-C 3.35Å; F25-V44 WeakPolarHBondContact O-CA 3.21Å; I36-V44 HydrophobicContact CD1-CG1 3.53Å; I36-V44 HydrophobicContact CG2-CG2 4.28Å; P39-V44 HydrophobicContact CB-CG2 3.64Å; P39-V44 HydrophobicContact CG-CG2 4.15Å |
| 45 | I | 91.7 | Very high | 88.3 | Confident | 94 Ų | 94 | 52.2 Ų | 52.2 | 48% | 0.482 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 132.7 | -178.8 | -57.3 | -176.1 | 0 | 0 | 0 | 109.9 | V24 F25 T26 Q27 S47 | V24-I45 HydrophobicContact CG2-CB 4.26Å; V24-I45 HydrophobicContact CG2-CD1 3.73Å; V24-I45 HydrophobicContact CG2-CG1 3.79Å; F25-I45 PolarHBondContact O-N 2.95Å; T26-I45 WeakPolarHBondContact CA-O 3.28Å; Q27-I45 PolarHBondContact N-O 2.97Å; I45-S47 PolarHBondContact O-N 2.92Å |
| 46 | Q | 88.6 | Confident | 88.9 | Confident | 132 Ų | 132 | 52.3 Ų | 52.3 | 62% | 0.617 | 30% | 0.302 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 118.8 | 168.2 | -65 | -59.1 | -28.4 | 0 | 0 | 109 | ||
| 47 | S | 87.9 | Confident | 89.3 | Confident | 19 Ų | 19 | 50.8 Ų | 50.8 | 13% | 0.133 | 30% | 0.295 | C | S | . | . | trans | -110.2 | 142.6 | 177.3 | -175.9 | 0 | 0 | 0 | 0 | 109.5 | Q27 G28 I45 R49 | Q27-S47 PolarHBondContact O-N 3.36Å; G28-S47 CarbonylContact C-O 3.51Å; G28-S47 WeakPolarHBondContact CA-O 3.46Å; I45-S47 PolarHBondContact O-N 2.92Å; S47-R49 PolarHBondContact O-N 3.01Å; S47-R49 WeakPolarHBondContact OG-CG 3.18Å; S47-R49 PolarHBondContact OG-N 3.41Å | ||
| 48 | D | 85.3 | Confident | 89.6 | Confident | 22 Ų | 22 | 49.8 Ų | 49.8 | 12% | 0.118 | 29% | 0.294 | C | S | . | . | trans | -84.4 | 3.6 | 175 | 72.1 | -31.5 | 0 | 0 | 0 | 113.2 | H2 Q29 R120 F127 H128 | H2-D48 IonicContact CD2-OD2 3.09Å; H2-D48 IonicContact CE1-OD1 3.88Å; H2-D48 IonicContact NE2-OD1 2.97Å; H2-D48 PolarHBondContact NE2-OD1 3.13Å; H2-D48 IonicContact NE2-OD2 2.95Å; H2-D48 PolarHBondContact NE2-OD2 3.45Å; Q29-D48 WeakPolarHBondContact CG-O 3.42Å; D48-R120 WeakPolarHBondContact O-CD 3.38Å; D48-R120 IonicContact OD2-CZ 3.56Å; D48-R120 IonicContact OD2-NH1 3.52Å; D48-R120 PolarHBondContact OD2-NH1 2.88Å; D48-F127 WeakPolarHBondContact OD2-CE2 3.47Å; D48-F127 VanDerWaalsContact OD2-CZ 3.25Å; D48-F127 WeakPolarHBondContact OD2-CZ 3.31Å; D48-H128 IonicContact OD1-CD2 3.09Å; D48-H128 IonicContact OD1-CE1 3.75Å; D48-H128 PolarHBondContact OD1-CE1 3.19Å; D48-H128 IonicContact OD1-NE2 2.78Å; D48-H128 PolarHBondContact OD1-NE2 3.43Å | ||
| 49 | R | 86.1 | Confident | 89.9 | Confident | 20 Ų | 20 | 44.3 Ų | 44.3 | 8% | 0.075 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -60.9 | 155 | 173.9 | 69.1 | 175.6 | 176.4 | 60.1 | 7.4 | 112.2 | T26 G28 Q29 S47 Q52 T54 H128 | T26-R49 PolarHBondContact O-NH2 3.36Å; T26-R49 PolarHBondContact OG1-NE 3.04Å; T26-R49 PolarHBondContact OG1-NH2 2.92Å; G28-R49 CarbonylContact C-O 3.54Å; G28-R49 WeakPolarHBondContact CA-O 3.3Å; Q29-R49 PolarHBondContact N-O 3.15Å; S47-R49 PolarHBondContact O-N 3.01Å; S47-R49 WeakPolarHBondContact OG-CG 3.18Å; S47-R49 PolarHBondContact OG-N 3.41Å; R49-Q52 VanDerWaalsContact CZ-O 3.27Å; R49-Q52 PolarHBondContact NH1-O 3.31Å; R49-Q52 PolarHBondContact NH2-O 3.38Å; R49-T54 VanDerWaalsContact NH2-CG2 3.29Å; R49-H128 VanDerWaalsContact CA-CD2 3.5Å; R49-H128 WeakPolarHBondContact CA-CD2 3.36Å; R49-H128 HydrophobicContact CB-CB 4.12Å; R49-H128 PolarHBondContact N-NE2 3.41Å |
| 50 | G | 82.2 | Confident | 90.4 | Very high | 24 Ų | 24 | 42.3 Ų | 42.3 | 25% | 0.247 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -61 | 157.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L119 | G50-L119 PolarHBondContact N-O 3.29Å; G50-L119 VanDerWaalsContact N-O 3.16Å |
| 51 | G | 84.2 | Confident | 90.6 | Very high | 36 Ų | 36 | 40.4 Ų | 40.4 | 37% | 0.371 | 23% | 0.234 | S | C | . | . | S | Bend | trans | 93.3 | -174.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115 | G28 A30 G31 | G28-G51 CarbonylContact C-O 3.53Å; G28-G51 WeakPolarHBondContact CA-O 3.38Å; A30-G51 PolarHBondContact N-O 3.46Å; G31-G51 PolarHBondContact N-O 2.92Å |
| 52 | Q | 85.7 | Confident | 90.6 | Very high | 44 Ų | 44 | 32.6 Ų | 32.6 | 21% | 0.206 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -86.8 | -151 | -175.2 | -68.4 | -70 | -7.4 | 0 | 0 | 111.5 | G28 A30 H35 R49 | G28-Q52 PolarHBondContact N-O 2.94Å; G28-Q52 VanDerWaalsContact N-O 3.07Å; A30-Q52 PolarHBondContact O-NE2 2.96Å; A30-Q52 PolarHBondContact O-OE1 2.85Å; H35-Q52 PolarHBondContact CD2-OE1 3.47Å; R49-Q52 VanDerWaalsContact CZ-O 3.27Å; R49-Q52 PolarHBondContact NH1-O 3.31Å; R49-Q52 PolarHBondContact NH2-O 3.38Å |
| 53 | V | 89.8 | Confident | 90.3 | Very high | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.018 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 141.7 | 172.7 | -176.7 | 0 | 0 | 0 | 0 | 110.5 | T26 Q27 H35 I36 I144 | T26-V53 VanDerWaalsContact O-CA 3.31Å; T26-V53 WeakPolarHBondContact O-CA 3.3Å; Q27-V53 HydrophobicContact CB-CG2 4.33Å; Q27-V53 HydrophobicContact CG-CG2 4.11Å; H35-V53 HydrophobicContact CB-CB 4.38Å; H35-V53 HydrophobicContact CB-CG2 3.93Å; I36-V53 HydrophobicContact CD1-CG2 4.37Å; I36-V53 HydrophobicContact CG1-CG1 3.87Å; I36-V53 HydrophobicContact CG1-CG2 3.89Å; V53-I144 HydrophobicContact CG1-CB 4.06Å; V53-I144 HydrophobicContact CG1-CD1 4.03Å; V53-I144 HydrophobicContact CG1-CG2 3.79Å |
| 54 | T | 92.7 | Very high | 90 | Very high | 9 Ų | 9 | 30.6 Ų | 30.6 | 6% | 0.055 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 167.6 | 171.1 | -159.7 | 0 | 0 | 0 | 0 | 110.5 | F25 T26 R49 H56 | F25-T54 WeakPolarHBondContact CA-O 3.4Å; T26-T54 PolarHBondContact N-O 3.29Å; T26-T54 PolarHBondContact O-N 3.36Å; T26-T54 WeakPolarHBondContact OG1-CG2 3.45Å; R49-T54 VanDerWaalsContact NH2-CG2 3.29Å; T54-H56 WeakPolarHBondContact CG2-NE2 3.36Å |
| 55 | Y | 94.9 | Very high | 89.7 | Confident | 10 Ų | 10 | 28.1 Ų | 28.1 | 4% | 0.039 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 144.5 | 174.9 | 171.9 | -115.5 | 0 | 0 | 0 | 111.7 | P23 V24 F25 I42 Q60 M136 P140 F141 | P23-Y55 HydrophobicContact CB-CE2 4.1Å; V24-Y55 WeakPolarHBondContact O-CD2 3.21Å; F25-Y55 HydrophobicContact CD1-CD2 4.03Å; F25-Y55 HydrophobicContact CD1-CG 4.38Å; F25-Y55 AromaticContact CE1-CD2 3.86Å; F25-Y55 HydrophobicContact CE1-CD2 3.86Å; F25-Y55 HydrophobicContact CE1-CG 4.08Å; F25-Y55 HydrophobicContact CZ-CD2 4.33Å; I42-Y55 HydrophobicContact CD1-CE2 4.09Å; I42-Y55 HydrophobicContact CG2-CE2 4.36Å; Y55-Q60 PolarHBondContact O-NE2 2.81Å; Y55-M136 HydrophobicContact CD1-CE 3.52Å; Y55-M136 HydrophobicContact CE1-CE 3.34Å; Y55-P140 HydrophobicContact CD1-CB 3.84Å; Y55-P140 HydrophobicContact CD1-CG 4.22Å; Y55-P140 HydrophobicContact CD2-CB 3.84Å; Y55-P140 HydrophobicContact CE1-CB 3.8Å; Y55-P140 HydrophobicContact CE1-CG 3.69Å; Y55-P140 HydrophobicContact CE2-CB 3.82Å; Y55-P140 HydrophobicContact CE2-CG 4.05Å; Y55-P140 HydrophobicContact CG-CB 3.86Å; Y55-F141 AromaticContact CD1-CD2 3.98Å; Y55-F141 HydrophobicContact CD1-CD2 3.98Å; Y55-F141 AromaticContact CD1-CE2 3.76Å; Y55-F141 HydrophobicContact CD1-CE2 3.76Å; Y55-F141 HydrophobicContact CD1-CZ 4.18Å |
| 56 | H | 96.7 | Very high | 89.5 | Confident | 21 Ų | 21 | 23.7 Ų | 23.7 | 10% | 0.097 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 147.3 | 168.6 | -54.6 | -71.5 | 0 | 0 | 0 | 110.1 | H21 P23 V24 T26 T54 Q60 | H21-H56 HydrophobicContact CB-CB 4.04Å; P23-H56 CarbonylContact C-O 3.53Å; P23-H56 VanDerWaalsContact CA-O 3.28Å; P23-H56 WeakPolarHBondContact CA-O 3.19Å; V24-H56 HydrophobicContact CG1-CB 3.94Å; V24-H56 PolarHBondContact N-O 2.91Å; V24-H56 PolarHBondContact O-N 2.9Å; T26-H56 PolarHBondContact OG1-NE2 3.18Å; T54-H56 WeakPolarHBondContact CG2-NE2 3.36Å; H56-Q60 PolarHBondContact ND1-OE1 2.96Å |
| 57 | G | 94.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | trans | -173.3 | 177.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | H21 Q60 | H21-G57 CarbonylContact O-C 3.59Å; H21-G57 VanDerWaalsContact O-CA 3.25Å; H21-G57 WeakPolarHBondContact O-CA 3.19Å; G57-Q60 VanDerWaalsContact O-CB 3.25Å; G57-Q60 WeakPolarHBondContact O-CB 3.24Å; G57-Q60 PolarHBondContact O-N 3.01Å | ||
| 58 | P | 94.7 | Very high | 89.4 | Confident | 73 Ų | 73 | 18 Ų | 18 | 47% | 0.474 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 141.6 | 178.4 | -25.7 | 35.3 | 0 | 0 | 0 | 112.5 | H21 Q60 M136 | H21-P58 WeakPolarHBondContact O-CD 3.28Å; P58-Q60 VanDerWaalsContact C-N 3.34Å; P58-M136 WeakPolarHBondContact O-CA 3.37Å; P58-M136 WeakPolarHBondContact O-CB 3.48Å |
| 59 | G | 92.1 | Very high | 89.5 | Confident | 12 Ų | 12 | 17.4 Ų | 17.4 | 12% | 0.124 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.7 | 5.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | E20 V134 N135 | E20-G59 PolarHBondContact OE2-N 3.15Å; G59-V134 WeakPolarHBondContact O-CA 3.42Å; G59-V134 WeakPolarHBondContact O-CB 2.93Å; G59-V134 PolarHBondContact O-N 3.2Å; G59-V134 VanDerWaalsContact O-N 3.07Å; G59-N135 PolarHBondContact O-N 2.91Å |
| 60 | Q | 94.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 124.5 | 172.2 | -167.4 | -175.8 | 66.1 | 0 | 0 | 110 | Y55 H56 G57 P58 V62 A131 L132 N133 M136 | Y55-Q60 PolarHBondContact O-NE2 2.81Å; H56-Q60 PolarHBondContact ND1-OE1 2.96Å; G57-Q60 VanDerWaalsContact O-CB 3.25Å; G57-Q60 WeakPolarHBondContact O-CB 3.24Å; G57-Q60 PolarHBondContact O-N 3.01Å; P58-Q60 VanDerWaalsContact C-N 3.34Å; Q60-V62 PolarHBondContact O-N 2.87Å; Q60-A131 HydrophobicContact CG-CB 4.32Å; Q60-L132 WeakPolarHBondContact CA-O 3.49Å; Q60-L132 WeakPolarHBondContact CG-O 3.46Å; Q60-N133 PolarHBondContact NE2-OD1 3.3Å; Q60-M136 HydrophobicContact CB-CE 4.05Å; Q60-M136 HydrophobicContact CB-SD 3.7Å; Q60-M136 HydrophobicContact CG-CE 4.44Å; Q60-M136 HydrophobicContact CG-SD 3.88Å |
| 61 | Q | 90.7 | Very high | 89.5 | Confident | 10 Ų | 10 | 27.2 Ų | 27.2 | 5% | 0.047 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 110.5 | 173.4 | -175.9 | 63 | 70.6 | 0 | 0 | 109.4 | L18 V19 A131 L132 V134 T166 | L18-Q61 HydrophobicContact CD2-CG 4.17Å; V19-Q61 PolarHBondContact O-NE2 3.03Å; Q61-A131 WeakPolarHBondContact O-CA 3.48Å; Q61-L132 HydrophobicContact CB-CB 4.47Å; Q61-L132 PolarHBondContact N-O 3.34Å; Q61-L132 PolarHBondContact O-N 2.71Å; Q61-V134 HydrophobicContact CB-CG2 3.93Å; Q61-T166 HydrophobicContact CB-CG2 4.27Å |
| 62 | V | 89.8 | Confident | 89.4 | Confident | 6 Ų | 6 | 31.9 Ų | 31.9 | 4% | 0.036 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 132.4 | 170.9 | -179.8 | 0 | 0 | 0 | 0 | 109 | L18 V19 Q60 Y64 L130 A131 | L18-V62 WeakPolarHBondContact CA-O 3.42Å; V19-V62 HydrophobicContact CG2-CB 4.14Å; V19-V62 HydrophobicContact CG2-CG1 4.4Å; V19-V62 PolarHBondContact N-O 3.47Å; V19-V62 PolarHBondContact O-N 3.1Å; Q60-V62 PolarHBondContact O-N 2.87Å; V62-Y64 HydrophobicContact CG1-CD2 4.23Å; V62-Y64 HydrophobicContact CG1-CE2 3.79Å; V62-L130 WeakPolarHBondContact CA-O 3.27Å; V62-A131 HydrophobicContact CG2-CB 4.14Å |
| 63 | M | 88 | Confident | 89.4 | Confident | 12 Ų | 12 | 38.5 Ų | 38.5 | 6% | 0.059 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 110.5 | 176.9 | -174.4 | 172 | 77.5 | 0 | 0 | 109.3 | I16 W17 L18 V65 L83 G129 L130 V173 | I16-M63 HydrophobicContact CG2-CG 3.53Å; I16-M63 HydrophobicContact CG2-SD 3.79Å; W17-M63 CarbonylContact O-C 3.6Å; W17-M63 VanDerWaalsContact O-CA 3.31Å; W17-M63 WeakPolarHBondContact O-CA 3.29Å; L18-M63 HydrophobicContact CD2-CB 3.68Å; L18-M63 HydrophobicContact CD2-CG 3.66Å; L18-M63 HydrophobicContact CD2-SD 4.01Å; M63-V65 HydrophobicContact CE-CG2 3.82Å; M63-V65 HydrophobicContact CG-CG2 4.05Å; M63-L83 HydrophobicContact CE-CD2 3.68Å; M63-G129 VanDerWaalsContact O-CA 3.28Å; M63-G129 WeakPolarHBondContact O-CA 3.33Å; M63-L130 HydrophobicContact CB-CD1 3.94Å; M63-L130 HydrophobicContact CB-CG 4.04Å; M63-L130 HydrophobicContact CE-CD1 4.46Å; M63-L130 HydrophobicContact CE-CD2 3.53Å; M63-L130 HydrophobicContact CE-CG 3.9Å; M63-L130 PolarHBondContact N-O 3.01Å; M63-L130 PolarHBondContact O-N 3Å; M63-V173 HydrophobicContact SD-CG1 3.72Å |
| 64 | Y | 88.7 | Confident | 89 | Confident | 40 Ų | 40 | 40.7 Ų | 40.7 | 16% | 0.157 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 129.9 | 170.4 | -67 | -76.4 | 0 | 0 | 0 | 109.8 | M1 I16 W17 V19 H21 V62 H128 | M1-Y64 HydrophobicContact CE-CE1 4.46Å; M1-Y64 HydrophobicContact SD-CD1 3.37Å; M1-Y64 WeakPolarHBondContact SD-CD1 3.45Å; M1-Y64 HydrophobicContact SD-CE1 3.64Å; M1-Y64 HydrophobicContact SD-CG 4.26Å; I16-Y64 CarbonylContact C-O 3.48Å; I16-Y64 VanDerWaalsContact CA-O 3.26Å; I16-Y64 WeakPolarHBondContact CA-O 3.39Å; W17-Y64 HydrophobicContact CB-CD2 4.29Å; W17-Y64 PolarHBondContact N-O 2.92Å; W17-Y64 PolarHBondContact O-N 3.39Å; V19-Y64 HydrophobicContact CG2-CD2 3.99Å; V19-Y64 HydrophobicContact CG2-CE2 3.59Å; H21-Y64 PolarHBondContact CE1-OH 3.05Å; H21-Y64 VanDerWaalsContact CE1-OH 3.28Å; H21-Y64 AromaticContact NE2-CE2 3.65Å; H21-Y64 AromaticContact NE2-CZ 3.67Å; H21-Y64 PolarHBondContact NE2-OH 2.9Å; V62-Y64 HydrophobicContact CG1-CD2 4.23Å; V62-Y64 HydrophobicContact CG1-CE2 3.79Å; Y64-H128 CarbonylContact C-O 3.51Å; Y64-H128 WeakPolarHBondContact CA-O 3.46Å |
| 65 | V | 86.1 | Confident | 88.7 | Confident | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.024 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 92 | -171.5 | -179 | 0 | 0 | 0 | 0 | 108.1 | M63 L67 L79 L83 S126 H128 | M63-V65 HydrophobicContact CE-CG2 3.82Å; M63-V65 HydrophobicContact CG-CG2 4.05Å; V65-L67 HydrophobicContact CG1-CD1 3.57Å; V65-L67 HydrophobicContact CG1-CD2 4.3Å; V65-L67 HydrophobicContact CG1-CG 3.61Å; V65-L67 PolarHBondContact O-N 2.71Å; V65-L79 HydrophobicContact CG1-CD1 4.16Å; V65-L83 HydrophobicContact CG1-CD2 4.4Å; V65-L83 HydrophobicContact CG2-CD1 4.35Å; V65-L83 HydrophobicContact CG2-CD2 3.79Å; V65-S126 CarbonylContact O-C 3.14Å; V65-S126 PolarHBondContact O-OG 3.35Å; V65-H128 PolarHBondContact N-O 3.02Å |
| 66 | L | 86.6 | Confident | 88.3 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 76.8 | -169.5 | -54.8 | 168.2 | 0 | 0 | 0 | 110.1 | M1 F4 R8 E15 W17 S126 F127 | M1-L66 HydrophobicContact CG-CD1 4.44Å; M1-L66 HydrophobicContact CG-CD2 3.49Å; M1-L66 VanDerWaalsContact CG-CD2 3.49Å; M1-L66 HydrophobicContact SD-CD2 4.22Å; F4-L66 HydrophobicContact CD1-CB 4.13Å; F4-L66 HydrophobicContact CD1-CD1 3.78Å; F4-L66 HydrophobicContact CD1-CG 4.4Å; F4-L66 HydrophobicContact CE1-CB 3.8Å; F4-L66 HydrophobicContact CE1-CD1 4.07Å; F4-L66 HydrophobicContact CE1-CG 4.5Å; R8-L66 PolarHBondContact NH1-O 3.12Å; E15-L66 HydrophobicContact CB-CB 4.33Å; E15-L66 HydrophobicContact CB-CD1 4.3Å; E15-L66 PolarHBondContact N-O 3.13Å; E15-L66 VanDerWaalsContact N-O 3.15Å; E15-L66 WeakPolarHBondContact O-CA 3.48Å; E15-L66 WeakPolarHBondContact O-CB 3.43Å; E15-L66 PolarHBondContact O-N 3.2Å; W17-L66 HydrophobicContact CD2-CD1 3.76Å; W17-L66 VanDerWaalsContact CE2-CD1 3.44Å; W17-L66 HydrophobicContact CE3-CD1 4.28Å; W17-L66 HydrophobicContact CG-CD1 4.23Å; W17-L66 HydrophobicContact CH2-CD1 4.31Å; W17-L66 HydrophobicContact CZ2-CD1 3.73Å; L66-S126 WeakPolarHBondContact CA-O 3.4Å; L66-F127 HydrophobicContact CD2-CB 3.43Å; L66-F127 VanDerWaalsContact CD2-CB 3.43Å |
| 67 | L | 86.2 | Confident | 87.8 | Confident | 23 Ų | 23 | 54 Ų | 54 | 12% | 0.12 | 25% | 0.253 | C | S | . | . | trans | -110.6 | 138 | -172.5 | -51.6 | -178.8 | 0 | 0 | 0 | 111.7 | D14 V65 L69 L79 C125 S126 | D14-L67 HydrophobicContact CB-CD2 3.64Å; D14-L67 WeakPolarHBondContact OD1-CA 3.27Å; V65-L67 HydrophobicContact CG1-CD1 3.57Å; V65-L67 HydrophobicContact CG1-CD2 4.3Å; V65-L67 HydrophobicContact CG1-CG 3.61Å; V65-L67 PolarHBondContact O-N 2.71Å; L67-L69 HydrophobicContact CB-CD2 4.06Å; L67-L69 PolarHBondContact O-N 3.17Å; L67-L79 HydrophobicContact CD1-CD1 3.94Å; L67-C125 CarbonylContact O-C 3.55Å; L67-C125 VanDerWaalsContact O-CA 3.22Å; L67-C125 WeakPolarHBondContact O-CA 3.34Å; L67-S126 PolarHBondContact N-OG 3.31Å; L67-S126 VanDerWaalsContact N-OG 3.08Å; L67-S126 PolarHBondContact O-N 3.14Å; L67-S126 PolarHBondContact O-OG 3.05Å | ||
| 68 | N | 88.5 | Confident | 87.3 | Confident | 9 Ų | 9 | 59.1 Ų | 59.1 | 5% | 0.048 | 28% | 0.277 | C | S | . | . | B | Isolated β-bridge | trans | -76.7 | 101.2 | 163.1 | -175.6 | -33.3 | 0 | 0 | 0 | 108.9 | D14 K70 R71 R72 | D14-N68 PolarHBondContact OD1-N 3.17Å; N68-K70 VanDerWaalsContact C-N 3.34Å; N68-K70 PolarHBondContact O-N 3.28Å; N68-K70 PolarHBondContact OD1-N 3.06Å; N68-R71 HydrophobicContact CB-CB 4.04Å; N68-R71 PolarHBondContact O-N 3.24Å; N68-R71 PolarHBondContact OD1-N 3.47Å; N68-R72 WeakPolarHBondContact O-CB 3.42Å; N68-R72 VanDerWaalsContact O-CG 3.31Å; N68-R72 WeakPolarHBondContact O-CG 3.42Å; N68-R72 PolarHBondContact O-N 2.87Å |
| 69 | L | 86.2 | Confident | 86.9 | Confident | 10 Ų | 10 | 55.9 Ų | 55.9 | 5% | 0.052 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68.7 | -32.6 | -175.1 | -59.2 | -169.7 | 0 | 0 | 0 | 112.6 | L67 R72 K73 L74 V76 L79 I121 G124 | L67-L69 HydrophobicContact CB-CD2 4.06Å; L67-L69 PolarHBondContact O-N 3.17Å; L69-R72 CarbonylContact O-C 3.58Å; L69-R72 PolarHBondContact O-N 3.33Å; L69-K73 WeakPolarHBondContact O-CA 3.26Å; L69-K73 PolarHBondContact O-N 2.92Å; L69-L74 WeakPolarHBondContact CB-O 3.18Å; L69-L74 HydrophobicContact CD2-CB 4.29Å; L69-L74 PolarHBondContact O-N 2.82Å; L69-V76 HydrophobicContact CD1-CG2 4.32Å; L69-L79 HydrophobicContact CD2-CD2 3.91Å; L69-I121 HydrophobicContact CD1-CD1 3.46Å; L69-I121 VanDerWaalsContact CD1-CD1 3.46Å; L69-I121 HydrophobicContact CD1-CG1 4.17Å; L69-I121 HydrophobicContact CD1-CG2 4.32Å; L69-G124 VanDerWaalsContact CB-O 3.26Å; L69-G124 WeakPolarHBondContact CB-O 3.16Å; L69-G124 PolarHBondContact N-O 3.36Å |
| 70 | K | 85 | Confident | 86.7 | Confident | 160 Ų | 160 | 57 Ų | 57 | 70% | 0.696 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -64.1 | -49.2 | 176.2 | -67.2 | -174.2 | -179.5 | 179 | 0 | 110.6 | N68 R72 K73 | N68-K70 VanDerWaalsContact C-N 3.34Å; N68-K70 PolarHBondContact O-N 3.28Å; N68-K70 PolarHBondContact OD1-N 3.06Å; K70-R72 VanDerWaalsContact C-N 3.32Å; K70-R72 PolarHBondContact O-N 3.31Å; K70-K73 PolarHBondContact O-N 2.79Å; K70-K73 VanDerWaalsContact O-N 3.13Å |
| 71 | R | 83.6 | Confident | 86.3 | Confident | 90 Ų | 90 | 60.9 Ų | 60.9 | 34% | 0.34 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.1 | -41.2 | 177.2 | -176.9 | 173.6 | 62.5 | -156.9 | 1.3 | 111.6 | D10 T12 D14 N68 K73 | D10-R71 PolarHBondContact O-NH1 3.45Å; T12-R71 PolarHBondContact O-NH1 3.03Å; T12-R71 PolarHBondContact O-NH2 3.45Å; D14-R71 IonicContact OD1-CZ 3.2Å; D14-R71 IonicContact OD1-NH2 3.84Å; D14-R71 PolarHBondContact OD1-NH2 2.99Å; D14-R71 IonicContact OD2-NH2 2.73Å; D14-R71 PolarHBondContact OD2-NH2 3.12Å; N68-R71 HydrophobicContact CB-CB 4.04Å; N68-R71 PolarHBondContact O-N 3.24Å; N68-R71 PolarHBondContact OD1-N 3.47Å; R71-K73 VanDerWaalsContact C-N 3.28Å; R71-K73 PolarHBondContact O-N 3.5Å |
| 72 | R | 82 | Confident | 86 | Confident | 133 Ų | 133 | 64.7 Ų | 64.7 | 50% | 0.502 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -77.5 | -9.6 | 177.8 | -66.2 | -72.9 | -178.2 | -178.5 | -0.1 | 114 | D14 N68 L69 K70 L74 | D14-R72 IonicContact OD2-CZ 3.08Å; D14-R72 IonicContact OD2-NE 3.71Å; D14-R72 PolarHBondContact OD2-NE 3.09Å; D14-R72 IonicContact OD2-NH2 3.82Å; D14-R72 PolarHBondContact OD2-NH2 2.87Å; N68-R72 WeakPolarHBondContact O-CB 3.42Å; N68-R72 VanDerWaalsContact O-CG 3.31Å; N68-R72 WeakPolarHBondContact O-CG 3.42Å; N68-R72 PolarHBondContact O-N 2.87Å; L69-R72 CarbonylContact O-C 3.58Å; L69-R72 PolarHBondContact O-N 3.33Å; K70-R72 VanDerWaalsContact C-N 3.32Å; K70-R72 PolarHBondContact O-N 3.31Å; R72-L74 HydrophobicContact CB-CB 4.35Å; R72-L74 HydrophobicContact CB-CD1 3.84Å; R72-L74 HydrophobicContact CB-CG 3.96Å; R72-L74 PolarHBondContact O-N 2.96Å |
| 73 | K | 86.6 | Confident | 85.9 | Confident | 184 Ų | 184 | 64.8 Ų | 64.8 | 80% | 0.8 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 41 | -172 | -56.4 | -179.8 | -179.2 | 179.6 | 0 | 112.4 | L69 K70 R71 | L69-K73 WeakPolarHBondContact O-CA 3.26Å; L69-K73 PolarHBondContact O-N 2.92Å; K70-K73 PolarHBondContact O-N 2.79Å; K70-K73 VanDerWaalsContact O-N 3.13Å; R71-K73 VanDerWaalsContact C-N 3.28Å; R71-K73 PolarHBondContact O-N 3.5Å |
| 74 | L | 82.1 | Confident | 86 | Confident | 48 Ų | 48 | 65 Ų | 65 | 25% | 0.251 | 31% | 0.305 | S | S | . | . | trans | -105.6 | 130.8 | -179.2 | -75.6 | 173 | 0 | 0 | 0 | 111.3 | L69 R72 E78 L82 | L69-L74 WeakPolarHBondContact CB-O 3.18Å; L69-L74 HydrophobicContact CD2-CB 4.29Å; L69-L74 PolarHBondContact O-N 2.82Å; R72-L74 HydrophobicContact CB-CB 4.35Å; R72-L74 HydrophobicContact CB-CD1 3.84Å; R72-L74 HydrophobicContact CB-CG 3.96Å; R72-L74 PolarHBondContact O-N 2.96Å; L74-E78 HydrophobicContact CD2-CB 4.35Å; L74-L82 HydrophobicContact CD1-CD1 4.44Å; L74-L82 HydrophobicContact CD2-CD1 4.04Å | ||
| 75 | G | 85 | Confident | 85.8 | Confident | 33 Ų | 33 | 67.2 Ų | 67.2 | 34% | 0.34 | 32% | 0.317 | S | S | . | . | trans | -76.3 | 158.4 | 165.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | R77 E78 L79 | G75-R77 VanDerWaalsContact C-N 3.35Å; G75-R77 PolarHBondContact O-N 2.87Å; G75-E78 PolarHBondContact N-OE2 3.16Å; G75-E78 PolarHBondContact O-N 3.43Å; G75-L79 PolarHBondContact O-N 3.06Å | ||
| 76 | V | 87.5 | Confident | 85.7 | Confident | 67 Ų | 67 | 68.9 Ų | 68.9 | 41% | 0.406 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.5 | -41.9 | 178.6 | -174.3 | 0 | 0 | 0 | 0 | 111.7 | L69 E78 L79 V80 I121 | L69-V76 HydrophobicContact CD1-CG2 4.32Å; V76-E78 VanDerWaalsContact C-N 3.35Å; V76-L79 PolarHBondContact O-N 2.95Å; V76-V80 WeakPolarHBondContact O-CG2 3.48Å; V76-V80 PolarHBondContact O-N 3.1Å; V76-I121 HydrophobicContact CG1-CG1 4.38Å; V76-I121 HydrophobicContact CG2-CD1 4.09Å; V76-I121 HydrophobicContact CG2-CG1 3.57Å |
| 77 | R | 85.7 | Confident | 85.8 | Confident | 220 Ų | 220 | 69.1 Ų | 69.1 | 83% | 0.83 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -63.4 | -42 | 177.3 | -70.9 | -176.7 | 179.4 | 170.7 | -0.8 | 111.7 | G75 L79 V80 T81 | G75-R77 VanDerWaalsContact C-N 3.35Å; G75-R77 PolarHBondContact O-N 2.87Å; R77-L79 VanDerWaalsContact C-N 3.32Å; R77-L79 PolarHBondContact O-N 2.9Å; R77-V80 PolarHBondContact O-N 3.3Å; R77-T81 PolarHBondContact O-N 2.89Å; R77-T81 PolarHBondContact O-OG1 2.9Å; R77-T81 VanDerWaalsContact O-OG1 3.1Å |
| 78 | E | 84.9 | Confident | 85.9 | Confident | 108 Ų | 108 | 68.9 Ų | 68.9 | 51% | 0.505 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.2 | -42.4 | 176.5 | -61.8 | 175.9 | 141.7 | 0 | 0 | 110.9 | L74 G75 V76 T81 L82 | L74-E78 HydrophobicContact CD2-CB 4.35Å; G75-E78 PolarHBondContact N-OE2 3.16Å; G75-E78 PolarHBondContact O-N 3.43Å; V76-E78 VanDerWaalsContact C-N 3.35Å; E78-T81 PolarHBondContact O-N 3.1Å; E78-L82 WeakPolarHBondContact O-CB 3.41Å; E78-L82 VanDerWaalsContact O-CG 3.26Å; E78-L82 WeakPolarHBondContact O-CG 3.22Å; E78-L82 PolarHBondContact O-N 3.34Å |
| 79 | L | 86.3 | Confident | 85.6 | Confident | 5 Ų | 5 | 69.7 Ų | 69.7 | 3% | 0.026 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62 | -45.3 | 174.4 | -179.6 | 59.4 | 0 | 0 | 0 | 111.8 | V65 L67 L69 G75 V76 R77 T81 L82 L83 L119 | V65-L79 HydrophobicContact CG1-CD1 4.16Å; L67-L79 HydrophobicContact CD1-CD1 3.94Å; L69-L79 HydrophobicContact CD2-CD2 3.91Å; G75-L79 PolarHBondContact O-N 3.06Å; V76-L79 PolarHBondContact O-N 2.95Å; R77-L79 VanDerWaalsContact C-N 3.32Å; R77-L79 PolarHBondContact O-N 2.9Å; L79-T81 PolarHBondContact O-N 3.3Å; L79-L82 PolarHBondContact O-N 3.07Å; L79-L83 HydrophobicContact CD1-CD1 4.4Å; L79-L83 HydrophobicContact CD1-CD2 4.49Å; L79-L83 HydrophobicContact CD1-CG 4.17Å; L79-L83 HydrophobicContact CG-CD1 4.28Å; L79-L83 HydrophobicContact CG-CG 4.45Å; L79-L83 VanDerWaalsContact O-CG 3.3Å; L79-L83 WeakPolarHBondContact O-CG 3.36Å; L79-L83 PolarHBondContact O-N 3.3Å; L79-L119 HydrophobicContact CD2-CD1 3.8Å; L79-L119 HydrophobicContact CD2-CD2 4.26Å; L79-L119 HydrophobicContact CG-CD1 3.93Å |
| 80 | V | 87.2 | Confident | 85.4 | Confident | 34 Ų | 34 | 69.2 Ų | 69.2 | 21% | 0.206 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -57.4 | -49.8 | 175.9 | 171 | 0 | 0 | 0 | 0 | 110.6 | V76 R77 L82 L83 E84 L117 L119 | V76-V80 WeakPolarHBondContact O-CG2 3.48Å; V76-V80 PolarHBondContact O-N 3.1Å; R77-V80 PolarHBondContact O-N 3.3Å; V80-L82 VanDerWaalsContact C-N 3.31Å; V80-L82 PolarHBondContact O-N 3.01Å; V80-L83 PolarHBondContact O-N 3.21Å; V80-L83 VanDerWaalsContact O-N 3.13Å; V80-E84 HydrophobicContact CG1-CG 4.38Å; V80-E84 WeakPolarHBondContact O-CG 3.27Å; V80-E84 PolarHBondContact O-N 3.13Å; V80-L117 HydrophobicContact CG1-CD2 4.18Å; V80-L119 HydrophobicContact CG2-CD1 3.84Å |
| 81 | T | 85.2 | Confident | 85.4 | Confident | 82 Ų | 82 | 61.6 Ų | 61.6 | 50% | 0.503 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.4 | -39.7 | 178 | -58.4 | 0 | 0 | 0 | 0 | 112.1 | R77 E78 L79 Q85 | R77-T81 PolarHBondContact O-N 2.89Å; R77-T81 PolarHBondContact O-OG1 2.9Å; R77-T81 VanDerWaalsContact O-OG1 3.1Å; E78-T81 PolarHBondContact O-N 3.1Å; L79-T81 PolarHBondContact O-N 3.3Å; T81-Q85 VanDerWaalsContact O-CB 3.24Å; T81-Q85 WeakPolarHBondContact O-CB 3.43Å; T81-Q85 PolarHBondContact O-N 3.26Å |
| 82 | L | 85 | Confident | 85.5 | Confident | 90 Ų | 90 | 60.2 Ų | 60.2 | 47% | 0.471 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.8 | -42.3 | 175.4 | -76.8 | 168.4 | 0 | 0 | 0 | 111.8 | L74 E78 L79 V80 T86 | L74-L82 HydrophobicContact CD1-CD1 4.44Å; L74-L82 HydrophobicContact CD2-CD1 4.04Å; E78-L82 WeakPolarHBondContact O-CB 3.41Å; E78-L82 VanDerWaalsContact O-CG 3.26Å; E78-L82 WeakPolarHBondContact O-CG 3.22Å; E78-L82 PolarHBondContact O-N 3.34Å; L79-L82 PolarHBondContact O-N 3.07Å; V80-L82 VanDerWaalsContact C-N 3.31Å; V80-L82 PolarHBondContact O-N 3.01Å; L82-T86 WeakPolarHBondContact O-CB 3.2Å; L82-T86 PolarHBondContact O-N 3.07Å; L82-T86 PolarHBondContact O-OG1 3.3Å |
| 83 | L | 87.4 | Confident | 85.2 | Confident | 9 Ų | 9 | 59.4 Ų | 59.4 | 5% | 0.047 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -68.5 | -44.4 | 179.1 | -68.4 | -179 | 0 | 0 | 0 | 112 | M63 V65 L79 V80 T86 V87 L117 L119 L130 | M63-L83 HydrophobicContact CE-CD2 3.68Å; V65-L83 HydrophobicContact CG1-CD2 4.4Å; V65-L83 HydrophobicContact CG2-CD1 4.35Å; V65-L83 HydrophobicContact CG2-CD2 3.79Å; L79-L83 HydrophobicContact CD1-CD1 4.4Å; L79-L83 HydrophobicContact CD1-CD2 4.49Å; L79-L83 HydrophobicContact CD1-CG 4.17Å; L79-L83 HydrophobicContact CG-CD1 4.28Å; L79-L83 HydrophobicContact CG-CG 4.45Å; L79-L83 VanDerWaalsContact O-CG 3.3Å; L79-L83 WeakPolarHBondContact O-CG 3.36Å; L79-L83 PolarHBondContact O-N 3.3Å; V80-L83 PolarHBondContact O-N 3.21Å; V80-L83 VanDerWaalsContact O-N 3.13Å; L83-T86 WeakPolarHBondContact O-CB 3.48Å; L83-T86 PolarHBondContact O-N 2.86Å; L83-V87 PolarHBondContact O-N 2.87Å; L83-V87 VanDerWaalsContact O-N 3.12Å; L83-L117 HydrophobicContact CB-CD2 3.66Å; L83-L117 HydrophobicContact CD1-CD2 4.35Å; L83-L119 HydrophobicContact CD1-CD1 3.98Å; L83-L119 HydrophobicContact CD1-CD2 4.2Å; L83-L119 HydrophobicContact CD1-CG 4.36Å; L83-L130 HydrophobicContact CB-CD2 4.06Å; L83-L130 HydrophobicContact CD2-CD2 4.18Å |
| 84 | E | 89.6 | Confident | 84.9 | Confident | 17 Ų | 17 | 52.5 Ų | 52.5 | 8% | 0.079 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.6 | -48.4 | 174.3 | -72.5 | 175.1 | 156.9 | 0 | 0 | 110.9 | V80 T86 V87 V88 P100 G106 V107 L117 | V80-E84 HydrophobicContact CG1-CG 4.38Å; V80-E84 WeakPolarHBondContact O-CG 3.27Å; V80-E84 PolarHBondContact O-N 3.13Å; E84-T86 VanDerWaalsContact C-N 3.29Å; E84-T86 PolarHBondContact O-N 2.87Å; E84-V87 PolarHBondContact O-N 3.31Å; E84-V88 WeakPolarHBondContact O-CG2 3.45Å; E84-V88 PolarHBondContact O-N 3.12Å; E84-P100 HydrophobicContact CB-CB 4.05Å; E84-P100 HydrophobicContact CG-CB 4.26Å; E84-G106 PolarHBondContact OE1-N 3.09Å; E84-V107 HydrophobicContact CB-CG2 4.05Å; E84-V107 HydrophobicContact CG-CG2 4.2Å; E84-L117 HydrophobicContact CG-CD1 4.11Å; E84-L117 HydrophobicContact CG-CD2 3.7Å |
| 85 | Q | 85.5 | Confident | 85.1 | Confident | 86 Ų | 86 | 53.5 Ų | 53.5 | 40% | 0.402 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65.3 | -34.1 | 179.6 | -168.4 | 60.8 | 59.7 | 0 | 0 | 112.1 | T81 V87 V88 N89 | T81-Q85 VanDerWaalsContact O-CB 3.24Å; T81-Q85 WeakPolarHBondContact O-CB 3.43Å; T81-Q85 PolarHBondContact O-N 3.26Å; Q85-V87 VanDerWaalsContact C-N 3.34Å; Q85-V88 PolarHBondContact O-N 2.84Å; Q85-N89 PolarHBondContact NE2-OD1 2.7Å; Q85-N89 WeakPolarHBondContact O-CB 3.38Å; Q85-N89 PolarHBondContact O-N 2.84Å; Q85-N89 PolarHBondContact O-ND2 2.88Å; Q85-N89 PolarHBondContact O-OD1 3.3Å |
| 86 | T | 83.9 | Confident | 85.4 | Confident | 39 Ų | 39 | 52.1 Ų | 52.1 | 24% | 0.239 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.5 | -47.1 | 174 | -61.4 | 0 | 0 | 0 | 0 | 110.5 | L82 L83 E84 N89 T90 | L82-T86 WeakPolarHBondContact O-CB 3.2Å; L82-T86 PolarHBondContact O-N 3.07Å; L82-T86 PolarHBondContact O-OG1 3.3Å; L83-T86 WeakPolarHBondContact O-CB 3.48Å; L83-T86 PolarHBondContact O-N 2.86Å; E84-T86 VanDerWaalsContact C-N 3.29Å; E84-T86 PolarHBondContact O-N 2.87Å; T86-N89 WeakPolarHBondContact O-CB 3.34Å; T86-N89 PolarHBondContact O-N 2.96Å; T86-T90 PolarHBondContact O-N 2.95Å; T86-T90 PolarHBondContact O-OG1 2.88Å; T86-T90 VanDerWaalsContact O-OG1 3.09Å |
| 87 | V | 87.8 | Confident | 85.7 | Confident | 4 Ų | 4 | 57.2 Ų | 57.2 | 2% | 0.024 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.8 | -45.3 | 178.2 | 173.1 | 0 | 0 | 0 | 0 | 111.8 | L83 E84 Q85 N89 T90 L91 V107 C115 L130 L132 | L83-V87 PolarHBondContact O-N 2.87Å; L83-V87 VanDerWaalsContact O-N 3.12Å; E84-V87 PolarHBondContact O-N 3.31Å; Q85-V87 VanDerWaalsContact C-N 3.34Å; V87-N89 PolarHBondContact O-N 3.11Å; V87-T90 PolarHBondContact O-N 3.13Å; V87-T90 VanDerWaalsContact O-N 3.15Å; V87-L91 HydrophobicContact CG1-CD1 3.87Å; V87-L91 HydrophobicContact CG1-CG 4.33Å; V87-L91 WeakPolarHBondContact O-CG 3.5Å; V87-L91 PolarHBondContact O-N 2.69Å; V87-V107 HydrophobicContact CB-CB 4.42Å; V87-V107 HydrophobicContact CB-CG2 3.9Å; V87-V107 HydrophobicContact CG1-CB 3.87Å; V87-V107 HydrophobicContact CG1-CG1 3.94Å; V87-V107 HydrophobicContact CG1-CG2 3.91Å; V87-C115 HydrophobicContact CG1-CB 3.86Å; V87-C115 HydrophobicContact CG2-CB 4.46Å; V87-L130 HydrophobicContact CG2-CD1 4.21Å; V87-L130 HydrophobicContact CG2-CD2 3.58Å; V87-L130 HydrophobicContact CG2-CG 4.5Å; V87-L132 HydrophobicContact CG1-CD1 3.88Å |
| 88 | V | 88.1 | Confident | 86.1 | Confident | 18 Ų | 18 | 47.4 Ų | 47.4 | 11% | 0.109 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -55.5 | -43.3 | 175.8 | 167.9 | 0 | 0 | 0 | 0 | 111 | E84 Q85 L91 A92 A98 V107 | E84-V88 WeakPolarHBondContact O-CG2 3.45Å; E84-V88 PolarHBondContact O-N 3.12Å; Q85-V88 PolarHBondContact O-N 2.84Å; V88-L91 PolarHBondContact O-N 3.23Å; V88-A92 WeakPolarHBondContact O-CB 3.46Å; V88-A92 PolarHBondContact O-N 2.94Å; V88-A98 WeakPolarHBondContact CG1-O 2.96Å; V88-V107 HydrophobicContact CG2-CG1 3.76Å; V88-V107 HydrophobicContact CG2-CG2 4.23Å |
| 89 | N | 82.7 | Confident | 86.6 | Confident | 26 Ų | 26 | 45.7 Ų | 45.7 | 14% | 0.139 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.1 | -42.5 | 178.7 | -70.5 | -24.2 | 0 | 0 | 0 | 112.4 | Q85 T86 V87 A92 E93 K177 | Q85-N89 PolarHBondContact NE2-OD1 2.7Å; Q85-N89 WeakPolarHBondContact O-CB 3.38Å; Q85-N89 PolarHBondContact O-N 2.84Å; Q85-N89 PolarHBondContact O-ND2 2.88Å; Q85-N89 PolarHBondContact O-OD1 3.3Å; T86-N89 WeakPolarHBondContact O-CB 3.34Å; T86-N89 PolarHBondContact O-N 2.96Å; V87-N89 PolarHBondContact O-N 3.11Å; N89-A92 PolarHBondContact O-N 3.3Å; N89-E93 PolarHBondContact O-N 2.99Å; N89-K177 HydrophobicContact CB-CD 4.36Å; N89-K177 VanDerWaalsContact CG-CE 3.45Å; N89-K177 PolarHBondContact ND2-NZ 3.32Å; N89-K177 PolarHBondContact OD1-NZ 2.84Å |
| 90 | T | 81.7 | Confident | 86.9 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.006 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.8 | -44.6 | 175.3 | -60 | 0 | 0 | 0 | 0 | 112.2 | T86 V87 E93 L94 I169 P172 V173 H176 | T86-T90 PolarHBondContact O-N 2.95Å; T86-T90 PolarHBondContact O-OG1 2.88Å; T86-T90 VanDerWaalsContact O-OG1 3.09Å; V87-T90 PolarHBondContact O-N 3.13Å; V87-T90 VanDerWaalsContact O-N 3.15Å; T90-E93 PolarHBondContact O-N 3.21Å; T90-L94 PolarHBondContact O-N 3.24Å; T90-I169 HydrophobicContact CG2-CG2 3.99Å; T90-P172 HydrophobicContact CG2-CB 4.17Å; T90-V173 HydrophobicContact CG2-CG2 3.99Å; T90-H176 WeakPolarHBondContact CA-NE2 3.33Å; T90-H176 WeakPolarHBondContact CB-NE2 3.36Å; T90-H176 PolarHBondContact N-NE2 3.16Å; T90-H176 PolarHBondContact OG1-CD2 3.25Å; T90-H176 PolarHBondContact OG1-NE2 3.43Å |
| 91 | L | 86.5 | Confident | 86.9 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.1 | -39.7 | 178.4 | -66.8 | 175 | 0 | 0 | 0 | 111.6 | V87 V88 E93 L94 G95 I96 A98 V107 I114 I157 | V87-L91 HydrophobicContact CG1-CD1 3.87Å; V87-L91 HydrophobicContact CG1-CG 4.33Å; V87-L91 WeakPolarHBondContact O-CG 3.5Å; V87-L91 PolarHBondContact O-N 2.69Å; V88-L91 PolarHBondContact O-N 3.23Å; L91-E93 VanDerWaalsContact C-N 3.28Å; L91-E93 PolarHBondContact O-N 3.37Å; L91-L94 CarbonylContact O-C 3.48Å; L91-L94 WeakPolarHBondContact O-CA 3.25Å; L91-L94 WeakPolarHBondContact O-CB 3.42Å; L91-L94 PolarHBondContact O-N 2.77Å; L91-G95 PolarHBondContact O-N 3.21Å; L91-I96 CarbonylContact C-O 3.51Å; L91-I96 HydrophobicContact CB-CB 4.07Å; L91-I96 HydrophobicContact CB-CG2 4.34Å; L91-I96 HydrophobicContact CD2-CB 4.48Å; L91-I96 HydrophobicContact CD2-CD1 4.12Å; L91-I96 HydrophobicContact CD2-CG2 4.47Å; L91-I96 WeakPolarHBondContact O-CB 3.39Å; L91-I96 PolarHBondContact O-N 2.83Å; L91-A98 HydrophobicContact CB-CB 4Å; L91-A98 HydrophobicContact CD1-CB 3.43Å; L91-A98 VanDerWaalsContact CD1-CB 3.43Å; L91-A98 HydrophobicContact CG-CB 4.37Å; L91-V107 HydrophobicContact CD1-CG1 4.13Å; L91-I114 HydrophobicContact CD1-CD1 4.13Å; L91-I114 HydrophobicContact CD1-CG2 3.59Å; L91-I114 HydrophobicContact CD2-CD1 3.93Å; L91-I157 HydrophobicContact CD2-CD1 3.8Å; L91-I157 HydrophobicContact CD2-CG1 3.66Å |
| 92 | A | 84.6 | Confident | 86.6 | Confident | 60 Ų | 60 | 51.4 Ų | 51.4 | 50% | 0.496 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.8 | -36.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V88 N89 L94 G95 I96 | V88-A92 WeakPolarHBondContact O-CB 3.46Å; V88-A92 PolarHBondContact O-N 2.94Å; N89-A92 PolarHBondContact O-N 3.3Å; A92-L94 VanDerWaalsContact C-N 3.27Å; A92-L94 PolarHBondContact O-N 3.29Å; A92-G95 PolarHBondContact O-N 3.44Å; A92-I96 PolarHBondContact N-O 2.99Å |
| 93 | E | 75.8 | Confident | 86.2 | Confident | 117 Ų | 117 | 52.3 Ų | 52.3 | 55% | 0.547 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -69.5 | -24.6 | 175.7 | -73.2 | -166.2 | -165.1 | 0 | 0 | 113.6 | N89 T90 L91 H176 | N89-E93 PolarHBondContact O-N 2.99Å; T90-E93 PolarHBondContact O-N 3.21Å; L91-E93 VanDerWaalsContact C-N 3.28Å; L91-E93 PolarHBondContact O-N 3.37Å; E93-H176 IonicContact OE1-CE1 3.56Å; E93-H176 PolarHBondContact OE1-CE1 3.24Å; E93-H176 IonicContact OE1-ND1 3.22Å; E93-H176 PolarHBondContact OE1-ND1 2.91Å; E93-H176 IonicContact OE2-CE1 2.98Å; E93-H176 PolarHBondContact OE2-CE1 3.35Å; E93-H176 IonicContact OE2-ND1 3.88Å |
| 94 | L | 80.8 | Confident | 86 | Confident | 39 Ų | 39 | 52.2 Ų | 52.2 | 20% | 0.204 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | 0.1 | 170.1 | -57.3 | 175.2 | 0 | 0 | 0 | 112.2 | T90 L91 A92 I96 I157 K161 I169 | T90-L94 PolarHBondContact O-N 3.24Å; L91-L94 CarbonylContact O-C 3.48Å; L91-L94 WeakPolarHBondContact O-CA 3.25Å; L91-L94 WeakPolarHBondContact O-CB 3.42Å; L91-L94 PolarHBondContact O-N 2.77Å; A92-L94 VanDerWaalsContact C-N 3.27Å; A92-L94 PolarHBondContact O-N 3.29Å; L94-I96 VanDerWaalsContact C-N 3.31Å; L94-I96 HydrophobicContact CB-CD1 4.03Å; L94-I96 HydrophobicContact CB-CG1 4.14Å; L94-I96 HydrophobicContact CD1-CD1 4.32Å; L94-I157 HydrophobicContact CD1-CD1 4.12Å; L94-I157 HydrophobicContact CD1-CG2 3.62Å; L94-K161 HydrophobicContact CB-CG 4.28Å; L94-K161 WeakPolarHBondContact O-CE 2.92Å; L94-I169 HydrophobicContact CD1-CD1 3.62Å; L94-I169 HydrophobicContact CD2-CD1 3.94Å; L94-I169 HydrophobicContact CG-CD1 4.36Å |
| 95 | G | 85.7 | Confident | 85.8 | Confident | 68 Ų | 68 | 55 Ų | 55 | 70% | 0.701 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.4 | 23.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L91 A92 | L91-G95 PolarHBondContact O-N 3.21Å; A92-G95 PolarHBondContact O-N 3.44Å |
| 96 | I | 91 | Very high | 86.1 | Confident | 4 Ų | 4 | 50.9 Ų | 50.9 | 2% | 0.021 | 31% | 0.308 | C | S | . | . | trans | -103.3 | 115.3 | 177 | -56.5 | 171.1 | 0 | 0 | 0 | 107.9 | L91 A92 L94 A98 V109 I157 W160 | L91-I96 CarbonylContact C-O 3.51Å; L91-I96 HydrophobicContact CB-CB 4.07Å; L91-I96 HydrophobicContact CB-CG2 4.34Å; L91-I96 HydrophobicContact CD2-CB 4.48Å; L91-I96 HydrophobicContact CD2-CD1 4.12Å; L91-I96 HydrophobicContact CD2-CG2 4.47Å; L91-I96 WeakPolarHBondContact O-CB 3.39Å; L91-I96 PolarHBondContact O-N 2.83Å; A92-I96 PolarHBondContact N-O 2.99Å; L94-I96 VanDerWaalsContact C-N 3.31Å; L94-I96 HydrophobicContact CB-CD1 4.03Å; L94-I96 HydrophobicContact CB-CG1 4.14Å; L94-I96 HydrophobicContact CD1-CD1 4.32Å; I96-A98 PolarHBondContact O-N 3.07Å; I96-V109 HydrophobicContact CG2-CG1 4.18Å; I96-V109 HydrophobicContact CG2-CG2 3.67Å; I96-I157 HydrophobicContact CD1-CG2 3.94Å; I96-W160 HydrophobicContact CD1-CB 3.81Å; I96-W160 HydrophobicContact CD1-CD2 4.3Å; I96-W160 HydrophobicContact CD1-CE3 4.07Å; I96-W160 HydrophobicContact CD1-CG 4.22Å; I96-W160 HydrophobicContact CG1-CB 3.77Å; I96-W160 HydrophobicContact CG1-CD2 4.31Å; I96-W160 HydrophobicContact CG1-CG 3.98Å; I96-W160 HydrophobicContact CG2-CD2 4.21Å; I96-W160 HydrophobicContact CG2-CE3 4.26Å | ||
| 97 | E | 94.3 | Very high | 86.6 | Confident | 174 Ų | 174 | 49 Ų | 49 | 81% | 0.813 | 30% | 0.296 | S | S | * | . | trans | -77.1 | 116.8 | 177.6 | -172.1 | 176 | 178.6 | 0 | 0 | 110.4 | ||||
| 98 | A | 95.1 | Very high | 87 | Confident | 14 Ų | 14 | 48.8 Ų | 48.8 | 12% | 0.116 | 30% | 0.295 | C | S | . | . | trans | -134.9 | 153.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V88 L91 I96 V107 Y108 V109 | V88-A98 WeakPolarHBondContact CG1-O 2.96Å; L91-A98 HydrophobicContact CB-CB 4Å; L91-A98 HydrophobicContact CD1-CB 3.43Å; L91-A98 VanDerWaalsContact CD1-CB 3.43Å; L91-A98 HydrophobicContact CG-CB 4.37Å; I96-A98 PolarHBondContact O-N 3.07Å; A98-V107 HydrophobicContact CB-CG1 3.7Å; A98-Y108 CarbonylContact C-O 3.52Å; A98-Y108 WeakPolarHBondContact CA-O 3.46Å; A98-Y108 WeakPolarHBondContact CB-O 3.06Å; A98-V109 HydrophobicContact CB-CG2 3.97Å | ||
| 99 | H | 95.3 | Very high | 87.4 | Confident | 73 Ų | 73 | 48.9 Ų | 48.9 | 34% | 0.338 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 151.3 | -177.7 | 58.7 | -81.2 | 0 | 0 | 0 | 111.9 | Y108 G110 | H99-Y108 PolarHBondContact N-O 3.28Å; H99-Y108 PolarHBondContact O-N 3.37Å; H99-G110 PolarHBondContact CE1-O 3.01Å; H99-G110 VanDerWaalsContact CE1-O 3.25Å |
| 100 | P | 92.6 | Very high | 87.9 | Confident | 54 Ų | 54 | 49.7 Ų | 49.7 | 35% | 0.351 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 163 | 167.7 | 33.6 | -32.3 | 0 | 0 | 0 | 111.1 | E84 G106 | E84-P100 HydrophobicContact CB-CB 4.05Å; E84-P100 HydrophobicContact CG-CB 4.26Å; P100-G106 WeakPolarHBondContact CA-O 3.46Å |
| 101 | R | 86.4 | Confident | 88.3 | Confident | 69 Ų | 69 | 56.4 Ų | 56.4 | 26% | 0.26 | 34% | 0.341 | S | S | . | . | trans | -121.8 | 132.5 | 174.8 | -81.4 | -178 | 62.5 | 157.2 | 0.6 | 110.8 | D103 Y108 E111 | R101-D103 VanDerWaalsContact C-N 3.3Å; R101-D103 WeakPolarHBondContact CB-OD1 3.36Å; R101-D103 IonicContact CZ-OD1 3.84Å; R101-D103 IonicContact CZ-OD2 2.8Å; R101-D103 IonicContact NE-OD1 2.79Å; R101-D103 PolarHBondContact NE-OD1 3.06Å; R101-D103 VanDerWaalsContact NE-OD1 3.09Å; R101-D103 IonicContact NE-OD2 3.92Å; R101-D103 IonicContact NH2-OD1 3.22Å; R101-D103 IonicContact NH2-OD2 3.75Å; R101-D103 PolarHBondContact NH2-OD2 3.44Å; R101-D103 PolarHBondContact O-N 3.15Å; R101-Y108 HydrophobicContact CB-CD2 4.08Å; R101-Y108 HydrophobicContact CB-CE2 3.89Å; R101-Y108 HydrophobicContact CG-CD2 3.79Å; R101-Y108 HydrophobicContact CG-CE2 4.03Å; R101-Y108 HydrophobicContact CG-CG 4.24Å; R101-E111 IonicContact NH1-OE2 3.7Å; R101-E111 PolarHBondContact NH1-OE2 3.02Å; R101-E111 VanDerWaalsContact NH1-OE2 3.08Å | ||
| 102 | A | 78.2 | Confident | 88.6 | Confident | 117 Ų | 117 | 60.1 Ų | 60.1 | 97% | 0.967 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -68.3 | -29.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 103 | D | 78.2 | Confident | 89.2 | Confident | 109 Ų | 109 | 57.4 Ų | 57.4 | 58% | 0.583 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -88.6 | -21.3 | -177.9 | 62.3 | -36 | 0 | 0 | 0 | 113.4 | R101 | R101-D103 VanDerWaalsContact C-N 3.3Å; R101-D103 WeakPolarHBondContact CB-OD1 3.36Å; R101-D103 IonicContact CZ-OD1 3.84Å; R101-D103 IonicContact CZ-OD2 2.8Å; R101-D103 IonicContact NE-OD1 2.79Å; R101-D103 PolarHBondContact NE-OD1 3.06Å; R101-D103 VanDerWaalsContact NE-OD1 3.09Å; R101-D103 IonicContact NE-OD2 3.92Å; R101-D103 IonicContact NH2-OD1 3.22Å; R101-D103 IonicContact NH2-OD2 3.75Å; R101-D103 PolarHBondContact NH2-OD2 3.44Å; R101-D103 PolarHBondContact O-N 3.15Å |
| 104 | A | 82.9 | Confident | 90.2 | Very high | 8 Ų | 8 | 51.8 Ų | 51.8 | 7% | 0.066 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -142 | 99.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | G106 Y108 | A104-G106 PolarHBondContact O-N 2.78Å; A104-Y108 WeakPolarHBondContact CB-OH 3.49Å; A104-Y108 WeakPolarHBondContact O-CE2 3.36Å; A104-Y108 PolarHBondContact O-OH 3.26Å |
| 105 | P | 85.1 | Confident | 90.9 | Very high | 74 Ų | 74 | 50 Ų | 50 | 48% | 0.481 | 30% | 0.299 | S | S | . | . | trans | -55.4 | 130.9 | -177.9 | -26.7 | 34 | 0 | 0 | 0 | 112.6 | K113 | P105-K113 PolarHBondContact O-NZ 2.92Š| ||
| 106 | G | 91.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 146.4 | 173.6 | -167.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | E84 P100 A104 C115 | E84-G106 PolarHBondContact OE1-N 3.09Å; P100-G106 WeakPolarHBondContact CA-O 3.46Å; A104-G106 PolarHBondContact O-N 2.78Å; G106-C115 VanDerWaalsContact CA-O 3.26Å; G106-C115 WeakPolarHBondContact CA-O 3.4Å |
| 107 | V | 95.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 141.1 | 170.9 | -179.3 | 0 | 0 | 0 | 0 | 109.8 | E84 V87 V88 L91 A98 I114 C115 | E84-V107 HydrophobicContact CB-CG2 4.05Å; E84-V107 HydrophobicContact CG-CG2 4.2Å; V87-V107 HydrophobicContact CB-CB 4.42Å; V87-V107 HydrophobicContact CB-CG2 3.9Å; V87-V107 HydrophobicContact CG1-CB 3.87Å; V87-V107 HydrophobicContact CG1-CG1 3.94Å; V87-V107 HydrophobicContact CG1-CG2 3.91Å; V88-V107 HydrophobicContact CG2-CG1 3.76Å; V88-V107 HydrophobicContact CG2-CG2 4.23Å; L91-V107 HydrophobicContact CD1-CG1 4.13Å; A98-V107 HydrophobicContact CB-CG1 3.7Å; V107-I114 HydrophobicContact CB-CG2 4.34Å; V107-I114 HydrophobicContact CG1-CG2 4.12Å; V107-I114 WeakPolarHBondContact O-CG2 3.26Å; V107-I114 PolarHBondContact O-N 2.92Å; V107-C115 HydrophobicContact CB-CB 4.03Å; V107-C115 PolarHBondContact N-O 3.21Å; V107-C115 PolarHBondContact O-N 2.85Å; V107-C115 VanDerWaalsContact O-N 3.15Å |
| 108 | Y | 96 | Very high | 91 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 147.1 | -169 | -61.9 | -101.4 | 0 | 0 | 0 | 111.2 | A98 H99 R101 A104 K112 K113 M152 | A98-Y108 CarbonylContact C-O 3.52Å; A98-Y108 WeakPolarHBondContact CA-O 3.46Å; A98-Y108 WeakPolarHBondContact CB-O 3.06Å; H99-Y108 PolarHBondContact N-O 3.28Å; H99-Y108 PolarHBondContact O-N 3.37Å; R101-Y108 HydrophobicContact CB-CD2 4.08Å; R101-Y108 HydrophobicContact CB-CE2 3.89Å; R101-Y108 HydrophobicContact CG-CD2 3.79Å; R101-Y108 HydrophobicContact CG-CE2 4.03Å; R101-Y108 HydrophobicContact CG-CG 4.24Å; A104-Y108 WeakPolarHBondContact CB-OH 3.49Å; A104-Y108 WeakPolarHBondContact O-CE2 3.36Å; A104-Y108 PolarHBondContact O-OH 3.26Å; Y108-K112 CarbonylContact C-O 3.6Å; Y108-K112 WeakPolarHBondContact CA-O 3.47Å; Y108-K113 HydrophobicContact CD1-CB 3.8Å; Y108-K113 HydrophobicContact CD1-CG 4.22Å; Y108-K113 HydrophobicContact CE1-CB 3.54Å; Y108-K113 HydrophobicContact CE1-CD 4.05Å; Y108-K113 HydrophobicContact CE1-CG 3.78Å; Y108-K113 HydrophobicContact CE2-CG 4.44Å; Y108-K113 PolarHBondContact OH-NZ 2.98Å; Y108-M152 HydrophobicContact CE1-SD 4.47Å |
| 109 | V | 96.3 | Very high | 90.7 | Very high | 19 Ų | 19 | 41 Ų | 41 | 12% | 0.115 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 109 | 169.4 | -180 | 0 | 0 | 0 | 0 | 106.9 | I96 A98 E111 K112 I114 W160 | I96-V109 HydrophobicContact CG2-CG1 4.18Å; I96-V109 HydrophobicContact CG2-CG2 3.67Å; A98-V109 HydrophobicContact CB-CG2 3.97Å; V109-E111 PolarHBondContact O-N 3.4Å; V109-K112 PolarHBondContact N-O 3.34Å; V109-K112 PolarHBondContact O-N 2.74Å; V109-K112 VanDerWaalsContact O-N 3.13Å; V109-I114 HydrophobicContact CG2-CB 4.32Å; V109-I114 HydrophobicContact CG2-CD1 4.08Å; V109-I114 HydrophobicContact CG2-CG2 4.04Å; V109-W160 HydrophobicContact CB-CH2 3.87Å; V109-W160 HydrophobicContact CB-CZ2 4.1Å; V109-W160 HydrophobicContact CG1-CH2 3.65Å; V109-W160 HydrophobicContact CG1-CZ2 3.35Å; V109-W160 HydrophobicContact CG2-CH2 4.22Å |
| 110 | G | 91.8 | Very high | 90.5 | Very high | 43 Ų | 43 | 41.9 Ų | 41.9 | 44% | 0.443 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | -133 | -159.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | H99 K112 | H99-G110 PolarHBondContact CE1-O 3.01Å; H99-G110 VanDerWaalsContact CE1-O 3.25Å; G110-K112 VanDerWaalsContact C-N 3.31Å |
| 111 | E | 90.3 | Very high | 90.4 | Very high | 143 Ų | 143 | 42.2 Ų | 42.2 | 67% | 0.668 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -2.5 | 176.4 | -64.3 | -56.4 | 138 | 0 | 0 | 113.9 | R101 V109 | R101-E111 IonicContact NH1-OE2 3.7Å; R101-E111 PolarHBondContact NH1-OE2 3.02Å; R101-E111 VanDerWaalsContact NH1-OE2 3.08Å; V109-E111 PolarHBondContact O-N 3.4Å |
| 112 | K | 94.3 | Very high | 90.4 | Very high | 77 Ų | 77 | 44 Ų | 44 | 34% | 0.335 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 131.9 | -174.4 | -50.5 | -166 | -168.8 | -150.2 | 0 | 111.2 | Y108 V109 G110 E153 A155 | Y108-K112 CarbonylContact C-O 3.6Å; Y108-K112 WeakPolarHBondContact CA-O 3.47Å; V109-K112 PolarHBondContact N-O 3.34Å; V109-K112 PolarHBondContact O-N 2.74Å; V109-K112 VanDerWaalsContact O-N 3.13Å; G110-K112 VanDerWaalsContact C-N 3.31Å; K112-E153 CarbonylContact C-O 3.59Å; K112-E153 VanDerWaalsContact CA-O 3.28Å; K112-E153 WeakPolarHBondContact CA-O 3.2Å; K112-E153 HydrophobicContact CB-CB 4.4Å; K112-E153 HydrophobicContact CD-CB 4.16Å; K112-E153 WeakPolarHBondContact CD-OE2 3.15Å; K112-E153 WeakPolarHBondContact CE-OE2 3.46Å; K112-E153 HydrophobicContact CG-CB 3.94Å; K112-E153 IonicContact NZ-OE2 2.66Å; K112-E153 PolarHBondContact NZ-OE2 3.34Å; K112-A155 HydrophobicContact CB-CB 3.79Å |
| 113 | K | 95.3 | Very high | 90.8 | Very high | 3 Ų | 3 | 46.9 Ų | 46.9 | 1% | 0.013 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 122.6 | 179.5 | -169.4 | 173.3 | -171.3 | 137 | 0 | 111 | P105 Y108 C115 S116 C147 M152 E153 M154 A155 | P105-K113 PolarHBondContact O-NZ 2.92Å; Y108-K113 HydrophobicContact CD1-CB 3.8Å; Y108-K113 HydrophobicContact CD1-CG 4.22Å; Y108-K113 HydrophobicContact CE1-CB 3.54Å; Y108-K113 HydrophobicContact CE1-CD 4.05Å; Y108-K113 HydrophobicContact CE1-CG 3.78Å; Y108-K113 HydrophobicContact CE2-CG 4.44Å; Y108-K113 PolarHBondContact OH-NZ 2.98Å; K113-C115 WeakPolarHBondContact CE-O 3.3Å; K113-S116 WeakPolarHBondContact CE-OG 3.47Å; K113-C147 PolarHBondContact NZ-SG 3.25Å; K113-M152 HydrophobicContact CB-SD 4.24Å; K113-M152 HydrophobicContact CD-SD 3.9Å; K113-E153 PolarHBondContact N-O 3.34Å; K113-M154 HydrophobicContact CB-CE 3.91Å; K113-M154 HydrophobicContact CB-SD 3.77Å; K113-M154 HydrophobicContact CD-CE 4.18Å; K113-M154 HydrophobicContact CD-SD 4.38Å; K113-M154 HydrophobicContact CG-CE 4Å; K113-M154 HydrophobicContact CG-SD 4.38Å; K113-M154 CarbonylContact O-C 3.47Å; K113-M154 VanDerWaalsContact O-CA 3.27Å; K113-M154 WeakPolarHBondContact O-CA 3.28Å; K113-M154 WeakPolarHBondContact O-CE 3.36Å; K113-A155 PolarHBondContact O-N 3.06Å |
| 114 | I | 96.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | -23.8 | 179 | -165.5 | 165.7 | 0 | 0 | 0 | 112.6 | L91 V107 V109 L132 N133 A155 I157 W160 | L91-I114 HydrophobicContact CD1-CD1 4.13Å; L91-I114 HydrophobicContact CD1-CG2 3.59Å; L91-I114 HydrophobicContact CD2-CD1 3.93Å; V107-I114 HydrophobicContact CB-CG2 4.34Å; V107-I114 HydrophobicContact CG1-CG2 4.12Å; V107-I114 WeakPolarHBondContact O-CG2 3.26Å; V107-I114 PolarHBondContact O-N 2.92Å; V109-I114 HydrophobicContact CG2-CB 4.32Å; V109-I114 HydrophobicContact CG2-CD1 4.08Å; V109-I114 HydrophobicContact CG2-CG2 4.04Å; I114-L132 HydrophobicContact CG1-CD1 4.19Å; I114-N133 WeakPolarHBondContact O-CB 3.49Å; I114-N133 PolarHBondContact O-N 3.42Å; I114-A155 HydrophobicContact CB-CB 4.01Å; I114-A155 HydrophobicContact CD1-CB 4.46Å; I114-A155 HydrophobicContact CG1-CB 4.25Å; I114-I157 HydrophobicContact CD1-CG1 4Å; I114-W160 HydrophobicContact CD1-CZ3 4.01Å |
| 115 | C | 95.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 132.6 | 178.6 | -171.7 | 0 | 0 | 0 | 0 | 112.1 | V87 G106 V107 K113 A131 L132 | V87-C115 HydrophobicContact CG1-CB 3.86Å; V87-C115 HydrophobicContact CG2-CB 4.46Å; G106-C115 VanDerWaalsContact CA-O 3.26Å; G106-C115 WeakPolarHBondContact CA-O 3.4Å; V107-C115 HydrophobicContact CB-CB 4.03Å; V107-C115 PolarHBondContact N-O 3.21Å; V107-C115 PolarHBondContact O-N 2.85Å; V107-C115 VanDerWaalsContact O-N 3.15Å; K113-C115 WeakPolarHBondContact CE-O 3.3Å; C115-A131 VanDerWaalsContact CA-O 3.29Å; C115-A131 WeakPolarHBondContact CA-O 3.42Å; C115-A131 PolarHBondContact SG-O 3.43Å; C115-L132 HydrophobicContact CB-CD1 3.94Å |
| 116 | S | 93.7 | Very high | 91.7 | Very high | 14 Ų | 14 | 38.8 Ų | 38.8 | 10% | 0.098 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 140.3 | 173.9 | -69.3 | 0 | 0 | 0 | 0 | 110.5 | K113 L130 A131 | K113-S116 WeakPolarHBondContact CE-OG 3.47Å; S116-L130 CarbonylContact O-C 3.51Å; S116-L130 VanDerWaalsContact O-CA 3.28Å; S116-L130 WeakPolarHBondContact O-CA 3.28Å; S116-A131 PolarHBondContact N-O 2.88Å; S116-A131 PolarHBondContact O-N 3.21Å |
| 117 | L | 91.2 | Very high | 91.5 | Very high | 25 Ų | 25 | 38.9 Ų | 38.9 | 13% | 0.131 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 136.4 | 174.4 | -79.5 | 82 | 0 | 0 | 0 | 109.8 | V80 L83 E84 L130 | V80-L117 HydrophobicContact CG1-CD2 4.18Å; L83-L117 HydrophobicContact CB-CD2 3.66Å; L83-L117 HydrophobicContact CD1-CD2 4.35Å; E84-L117 HydrophobicContact CG-CD1 4.11Å; E84-L117 HydrophobicContact CG-CD2 3.7Å; L117-L130 HydrophobicContact CD1-CB 4.35Å; L117-L130 HydrophobicContact CG-CB 3.99Å |
| 118 | G | 88.8 | Confident | 91.4 | Very high | 9 Ų | 9 | 39.6 Ų | 39.6 | 9% | 0.093 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 114.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | H128 G129 | G118-H128 WeakPolarHBondContact O-CB 3.45Å; G118-G129 CarbonylContact C-O 3.59Å; G118-G129 PolarHBondContact N-O 3.12Å; G118-G129 PolarHBondContact O-N 3.17Å; G118-G129 VanDerWaalsContact O-O 3.11Å |
| 119 | L | 89.6 | Confident | 91.1 | Very high | 25 Ų | 25 | 39.9 Ų | 39.9 | 13% | 0.131 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 151.8 | 178.2 | -72.6 | 168.7 | 0 | 0 | 0 | 109.8 | G50 L79 V80 L83 | G50-L119 PolarHBondContact N-O 3.29Å; G50-L119 VanDerWaalsContact N-O 3.16Å; L79-L119 HydrophobicContact CD2-CD1 3.8Å; L79-L119 HydrophobicContact CD2-CD2 4.26Å; L79-L119 HydrophobicContact CG-CD1 3.93Å; V80-L119 HydrophobicContact CG2-CD1 3.84Å; L83-L119 HydrophobicContact CD1-CD1 3.98Å; L83-L119 HydrophobicContact CD1-CD2 4.2Å; L83-L119 HydrophobicContact CD1-CG 4.36Å |
| 120 | R | 89.5 | Confident | 90.9 | Very high | 91 Ų | 91 | 39.3 Ų | 39.3 | 34% | 0.343 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 143.5 | 162.4 | -177.1 | 160.3 | -177.2 | -154.2 | 25.6 | 109.4 | D48 S126 F127 | D48-R120 WeakPolarHBondContact O-CD 3.38Å; D48-R120 IonicContact OD2-CZ 3.56Å; D48-R120 IonicContact OD2-NH1 3.52Å; D48-R120 PolarHBondContact OD2-NH1 2.88Å; R120-S126 CarbonylContact O-C 3.58Å; R120-S126 WeakPolarHBondContact O-CA 3.25Å; R120-F127 HydrophobicContact CB-CD1 4.24Å; R120-F127 HydrophobicContact CB-CD2 4.41Å; R120-F127 HydrophobicContact CB-CE1 3.7Å; R120-F127 HydrophobicContact CB-CE2 3.92Å; R120-F127 HydrophobicContact CB-CZ 3.56Å; R120-F127 VanDerWaalsContact CD-CZ 3.48Å; R120-F127 HydrophobicContact CG-CE1 3.57Å; R120-F127 HydrophobicContact CG-CE2 4.24Å; R120-F127 HydrophobicContact CG-CZ 3.42Å; R120-F127 VanDerWaalsContact CG-CZ 3.42Å; R120-F127 PolarHBondContact N-O 2.91Å; R120-F127 VanDerWaalsContact O-CD1 3.28Å; R120-F127 WeakPolarHBondContact O-CD1 3.38Å; R120-F127 PolarHBondContact O-N 3.42Å |
| 121 | I | 90.6 | Very high | 91 | Very high | 60 Ų | 60 | 37.4 Ų | 37.4 | 31% | 0.308 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 128.9 | 175.5 | -48.5 | -51.8 | 0 | 0 | 0 | 108.6 | L69 V76 C125 | L69-I121 HydrophobicContact CD1-CD1 3.46Å; L69-I121 VanDerWaalsContact CD1-CD1 3.46Å; L69-I121 HydrophobicContact CD1-CG1 4.17Å; L69-I121 HydrophobicContact CD1-CG2 4.32Å; V76-I121 HydrophobicContact CG1-CG1 4.38Å; V76-I121 HydrophobicContact CG2-CD1 4.09Å; V76-I121 HydrophobicContact CG2-CG1 3.57Å; I121-C125 WeakPolarHBondContact CA-O 3.34Å |
| 122 | R | 87.5 | Confident | 91.3 | Very high | 106 Ų | 106 | 30.7 Ų | 30.7 | 40% | 0.4 | 14% | 0.14 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 132.5 | 172.5 | -171.7 | 178 | -174.2 | -164.4 | -0.2 | 108.6 | D6 G124 C125 F127 | D6-R122 IonicContact OD1-CZ 3.45Å; D6-R122 VanDerWaalsContact OD1-CZ 3.22Å; D6-R122 IonicContact OD1-NE 2.83Å; D6-R122 IonicContact OD1-NH1 3.1Å; D6-R122 PolarHBondContact OD1-NH1 3.24Å; D6-R122 IonicContact OD2-CZ 3.65Å; D6-R122 IonicContact OD2-NH1 3.22Å; D6-R122 PolarHBondContact OD2-NH1 3.17Å; D6-R122 IonicContact OD2-NH2 2.96Å; R122-G124 PolarHBondContact O-N 3.38Å; R122-C125 PolarHBondContact N-O 2.88Å; R122-C125 PolarHBondContact O-N 3.36Å; R122-F127 HydrophobicContact CB-CE1 3.77Å |
| 123 | R | 86.6 | Confident | 91.4 | Very high | 178 Ų | 178 | 27 Ų | 27 | 67% | 0.672 | 12% | 0.124 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | 22.3 | -177.3 | -63.8 | 177.2 | 176.3 | 175.5 | -0.9 | 115.2 | D6 C125 | D6-R123 PolarHBondContact O-NH1 2.94Å; R123-C125 VanDerWaalsContact C-N 3.34Å |
| 124 | G | 87.8 | Confident | 91.4 | Very high | 14 Ų | 14 | 26.9 Ų | 26.9 | 14% | 0.144 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.9 | 5.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | L69 R122 | L69-G124 VanDerWaalsContact CB-O 3.26Å; L69-G124 WeakPolarHBondContact CB-O 3.16Å; L69-G124 PolarHBondContact N-O 3.36Å; R122-G124 PolarHBondContact O-N 3.38Å |
| 125 | C | 90.4 | Very high | 91.2 | Very high | 7 Ų | 7 | 30.3 Ų | 30.3 | 5% | 0.047 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 138.9 | 174.3 | -63.1 | 0 | 0 | 0 | 0 | 110.5 | T5 L67 I121 R122 R123 | T5-C125 HydrophobicContact CG2-CB 4.05Å; L67-C125 CarbonylContact O-C 3.55Å; L67-C125 VanDerWaalsContact O-CA 3.22Å; L67-C125 WeakPolarHBondContact O-CA 3.34Å; I121-C125 WeakPolarHBondContact CA-O 3.34Å; R122-C125 PolarHBondContact N-O 2.88Å; R122-C125 PolarHBondContact O-N 3.36Å; R123-C125 VanDerWaalsContact C-N 3.34Å |
| 126 | S | 87.2 | Confident | 91.2 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 151.1 | 171.8 | 65.4 | 0 | 0 | 0 | 0 | 111.3 | V65 L66 L67 R120 | V65-S126 CarbonylContact O-C 3.14Å; V65-S126 PolarHBondContact O-OG 3.35Å; L66-S126 WeakPolarHBondContact CA-O 3.4Å; L67-S126 PolarHBondContact N-OG 3.31Å; L67-S126 VanDerWaalsContact N-OG 3.08Å; L67-S126 PolarHBondContact O-N 3.14Å; L67-S126 PolarHBondContact O-OG 3.05Å; R120-S126 CarbonylContact O-C 3.58Å; R120-S126 WeakPolarHBondContact O-CA 3.25Å |
| 127 | F | 87.7 | Confident | 91.2 | Very high | 3 Ų | 3 | 34 Ų | 34 | 1% | 0.013 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 171.9 | 165.3 | 65.1 | -80.1 | 0 | 0 | 0 | 109.8 | M1 H2 T5 D48 L66 R120 R122 | M1-F127 HydrophobicContact CE-CD2 3.51Å; M1-F127 HydrophobicContact CE-CE2 4.17Å; M1-F127 HydrophobicContact CE-CG 4.49Å; M1-F127 HydrophobicContact CG-CB 3.98Å; M1-F127 HydrophobicContact CG-CD2 4.48Å; M1-F127 HydrophobicContact SD-CB 3.84Å; M1-F127 HydrophobicContact SD-CD2 3.87Å; M1-F127 HydrophobicContact SD-CG 4.37Å; H2-F127 AromaticContact CD2-CE2 3.69Å; H2-F127 AromaticContact NE2-CE2 3.81Å; T5-F127 HydrophobicContact CG2-CD1 3.89Å; T5-F127 HydrophobicContact CG2-CE1 4.42Å; T5-F127 HydrophobicContact CG2-CG 4.48Å; D48-F127 WeakPolarHBondContact OD2-CE2 3.47Å; D48-F127 VanDerWaalsContact OD2-CZ 3.25Å; D48-F127 WeakPolarHBondContact OD2-CZ 3.31Å; L66-F127 HydrophobicContact CD2-CB 3.43Å; L66-F127 VanDerWaalsContact CD2-CB 3.43Å; R120-F127 HydrophobicContact CB-CD1 4.24Å; R120-F127 HydrophobicContact CB-CD2 4.41Å; R120-F127 HydrophobicContact CB-CE1 3.7Å; R120-F127 HydrophobicContact CB-CE2 3.92Å; R120-F127 HydrophobicContact CB-CZ 3.56Å; R120-F127 VanDerWaalsContact CD-CZ 3.48Å; R120-F127 HydrophobicContact CG-CE1 3.57Å; R120-F127 HydrophobicContact CG-CE2 4.24Å; R120-F127 HydrophobicContact CG-CZ 3.42Å; R120-F127 VanDerWaalsContact CG-CZ 3.42Å; R120-F127 PolarHBondContact N-O 2.91Å; R120-F127 VanDerWaalsContact O-CD1 3.28Å; R120-F127 WeakPolarHBondContact O-CD1 3.38Å; R120-F127 PolarHBondContact O-N 3.42Å; R122-F127 HydrophobicContact CB-CE1 3.77Å |
| 128 | H | 91.8 | Very high | 91.4 | Very high | 14 Ų | 14 | 34.3 Ų | 34.3 | 7% | 0.065 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 64.9 | -156.4 | -154 | -56.4 | -77.5 | 0 | 0 | 0 | 111.2 | M1 D48 R49 Y64 V65 G118 | M1-H128 PolarHBondContact SD-N 3.09Å; D48-H128 IonicContact OD1-CD2 3.09Å; D48-H128 IonicContact OD1-CE1 3.75Å; D48-H128 PolarHBondContact OD1-CE1 3.19Å; D48-H128 IonicContact OD1-NE2 2.78Å; D48-H128 PolarHBondContact OD1-NE2 3.43Å; R49-H128 VanDerWaalsContact CA-CD2 3.5Å; R49-H128 WeakPolarHBondContact CA-CD2 3.36Å; R49-H128 HydrophobicContact CB-CB 4.12Å; R49-H128 PolarHBondContact N-NE2 3.41Å; Y64-H128 CarbonylContact C-O 3.51Å; Y64-H128 WeakPolarHBondContact CA-O 3.46Å; V65-H128 PolarHBondContact N-O 3.02Å; G118-H128 WeakPolarHBondContact O-CB 3.45Å |
| 129 | G | 90.7 | Very high | 91.6 | Very high | 7 Ų | 7 | 36 Ų | 36 | 7% | 0.072 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 165.4 | -119.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | M63 G118 | M63-G129 VanDerWaalsContact O-CA 3.28Å; M63-G129 WeakPolarHBondContact O-CA 3.33Å; G118-G129 CarbonylContact C-O 3.59Å; G118-G129 PolarHBondContact N-O 3.12Å; G118-G129 PolarHBondContact O-N 3.17Å; G118-G129 VanDerWaalsContact O-O 3.11Å |
| 130 | L | 92.7 | Very high | 91.9 | Very high | 7 Ų | 7 | 35 Ų | 35 | 4% | 0.037 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 158.2 | -177.4 | 68.7 | 79 | 0 | 0 | 0 | 112.6 | V62 M63 L83 V87 S116 L117 L132 | V62-L130 WeakPolarHBondContact CA-O 3.27Å; M63-L130 HydrophobicContact CB-CD1 3.94Å; M63-L130 HydrophobicContact CB-CG 4.04Å; M63-L130 HydrophobicContact CE-CD1 4.46Å; M63-L130 HydrophobicContact CE-CD2 3.53Å; M63-L130 HydrophobicContact CE-CG 3.9Å; M63-L130 PolarHBondContact N-O 3.01Å; M63-L130 PolarHBondContact O-N 3Å; L83-L130 HydrophobicContact CB-CD2 4.06Å; L83-L130 HydrophobicContact CD2-CD2 4.18Å; V87-L130 HydrophobicContact CG2-CD1 4.21Å; V87-L130 HydrophobicContact CG2-CD2 3.58Å; V87-L130 HydrophobicContact CG2-CG 4.5Å; S116-L130 CarbonylContact O-C 3.51Å; S116-L130 VanDerWaalsContact O-CA 3.28Å; S116-L130 WeakPolarHBondContact O-CA 3.28Å; L117-L130 HydrophobicContact CD1-CB 4.35Å; L117-L130 HydrophobicContact CG-CB 3.99Å; L130-L132 HydrophobicContact CD1-CB 4.27Å |
| 131 | A | 94 | Very high | 92.1 | Very high | 3 Ų | 3 | 31.1 Ų | 31.1 | 3% | 0.025 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 107.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | Q60 Q61 V62 C115 S116 | Q60-A131 HydrophobicContact CG-CB 4.32Å; Q61-A131 WeakPolarHBondContact O-CA 3.48Å; V62-A131 HydrophobicContact CG2-CB 4.14Å; C115-A131 VanDerWaalsContact CA-O 3.29Å; C115-A131 WeakPolarHBondContact CA-O 3.42Å; C115-A131 PolarHBondContact SG-O 3.43Å; S116-A131 PolarHBondContact N-O 2.88Å; S116-A131 PolarHBondContact O-N 3.21Å |
| 132 | L | 95.4 | Very high | 92.1 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 123.7 | -177.5 | 175.9 | 60.8 | 0 | 0 | 0 | 110.1 | Q60 Q61 V87 I114 C115 L130 V134 I157 I169 | Q60-L132 WeakPolarHBondContact CA-O 3.49Å; Q60-L132 WeakPolarHBondContact CG-O 3.46Å; Q61-L132 HydrophobicContact CB-CB 4.47Å; Q61-L132 PolarHBondContact N-O 3.34Å; Q61-L132 PolarHBondContact O-N 2.71Å; V87-L132 HydrophobicContact CG1-CD1 3.88Å; I114-L132 HydrophobicContact CG1-CD1 4.19Å; C115-L132 HydrophobicContact CB-CD1 3.94Å; L130-L132 HydrophobicContact CD1-CB 4.27Å; L132-V134 HydrophobicContact CG-CG2 4.41Å; L132-V134 PolarHBondContact O-N 3.02Å; L132-I157 HydrophobicContact CD1-CD1 4.37Å; L132-I157 HydrophobicContact CD2-CD1 4.03Å; L132-I157 HydrophobicContact CG-CD1 4.19Å; L132-I169 HydrophobicContact CD2-CG2 4.28Å |
| 133 | N | 96.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 107.6 | -179.6 | -60 | -16.6 | 0 | 0 | 0 | 109.6 | Q60 I114 M136 A155 K156 I157 | Q60-N133 PolarHBondContact NE2-OD1 3.3Å; I114-N133 WeakPolarHBondContact O-CB 3.49Å; I114-N133 PolarHBondContact O-N 3.42Å; N133-M136 HydrophobicContact CB-CG 4.29Å; N133-M136 HydrophobicContact CB-SD 3.74Å; N133-M136 PolarHBondContact OD1-SD 3.42Å; N133-A155 WeakPolarHBondContact CB-O 3.48Å; N133-A155 PolarHBondContact ND2-O 2.91Å; N133-K156 HydrophobicContact CB-CB 3.94Å; N133-K156 CarbonylContact O-C 3.59Å; N133-K156 VanDerWaalsContact O-CA 3.28Å; N133-K156 WeakPolarHBondContact O-CA 3.21Å; N133-I157 PolarHBondContact O-N 3.4Å |
| 134 | V | 94.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -94.7 | -68.8 | -177.6 | -174.4 | 0 | 0 | 0 | 0 | 110.3 | G59 Q61 L132 I157 S158 A164 T166 I169 | G59-V134 WeakPolarHBondContact O-CA 3.42Å; G59-V134 WeakPolarHBondContact O-CB 2.93Å; G59-V134 PolarHBondContact O-N 3.2Å; G59-V134 VanDerWaalsContact O-N 3.07Å; Q61-V134 HydrophobicContact CB-CG2 3.93Å; L132-V134 HydrophobicContact CG-CG2 4.41Å; L132-V134 PolarHBondContact O-N 3.02Å; V134-I157 HydrophobicContact CB-CD1 4.49Å; V134-I157 HydrophobicContact CG1-CB 4.41Å; V134-I157 HydrophobicContact CG1-CD1 4.32Å; V134-I157 HydrophobicContact CG2-CD1 4.18Å; V134-I157 PolarHBondContact O-N 3.08Å; V134-I157 VanDerWaalsContact O-N 3.13Å; V134-S158 PolarHBondContact O-N 3.46Å; V134-S158 PolarHBondContact O-OG 2.87Å; V134-A164 HydrophobicContact CG1-CB 3.96Å; V134-T166 HydrophobicContact CB-CG2 4.36Å; V134-T166 HydrophobicContact CG2-CG2 4.26Å; V134-I169 HydrophobicContact CG1-CB 4.46Å; V134-I169 HydrophobicContact CG1-CG1 3.82Å |
| 135 | N | 94.2 | Very high | 92.3 | Very high | 72 Ų | 72 | 26.2 Ų | 26.2 | 39% | 0.385 | 14% | 0.139 | S | C | . | . | S | Bend | trans | -144.6 | 60.3 | 179.1 | -170.8 | 20.3 | 0 | 0 | 0 | 111.3 | G59 S158 A164 | G59-N135 PolarHBondContact O-N 2.91Å; N135-S158 WeakPolarHBondContact OD1-CB 3.26Å; N135-S158 PolarHBondContact OD1-OG 2.98Å; N135-A164 WeakPolarHBondContact CB-O 3.46Å |
| 136 | M | 94.6 | Very high | 91.8 | Very high | 3 Ų | 3 | 26.1 Ų | 26.1 | 2% | 0.015 | 14% | 0.138 | C | C | . | . | trans | -103.9 | 167.3 | -178.6 | 68.4 | -172.4 | -62.5 | 0 | 0 | 113 | Y55 P58 Q60 N133 L138 F141 K156 | Y55-M136 HydrophobicContact CD1-CE 3.52Å; Y55-M136 HydrophobicContact CE1-CE 3.34Å; P58-M136 WeakPolarHBondContact O-CA 3.37Å; P58-M136 WeakPolarHBondContact O-CB 3.48Å; Q60-M136 HydrophobicContact CB-CE 4.05Å; Q60-M136 HydrophobicContact CB-SD 3.7Å; Q60-M136 HydrophobicContact CG-CE 4.44Å; Q60-M136 HydrophobicContact CG-SD 3.88Å; N133-M136 HydrophobicContact CB-CG 4.29Å; N133-M136 HydrophobicContact CB-SD 3.74Å; N133-M136 PolarHBondContact OD1-SD 3.42Å; M136-L138 HydrophobicContact CG-CD2 3.84Å; M136-L138 HydrophobicContact SD-CD2 4.21Å; M136-F141 HydrophobicContact CE-CE2 3.86Å; M136-F141 HydrophobicContact SD-CE2 4.19Å; M136-K156 WeakPolarHBondContact O-CD 3.45Å; M136-K156 PolarHBondContact O-NZ 2.88Å | ||
| 137 | D | 94.5 | Very high | 91.1 | Very high | 88 Ų | 88 | 27.9 Ų | 27.9 | 47% | 0.471 | 15% | 0.15 | S | C | . | . | trans | -73 | 124.8 | 162.4 | -177.9 | 17.5 | 0 | 0 | 0 | 109.8 | S139 | D137-S139 VanDerWaalsContact OD1-CB 3.28Å; D137-S139 WeakPolarHBondContact OD1-CB 3.46Å; D137-S139 PolarHBondContact OD1-N 3.11Å; D137-S139 PolarHBondContact OD1-OG 3.26Å; D137-S139 PolarHBondContact OD2-OG 2.78Å | ||
| 138 | L | 96 | Very high | 90.3 | Very high | 32 Ų | 32 | 28.7 Ų | 28.7 | 17% | 0.168 | 16% | 0.159 | C | C | . | . | trans | -93.7 | -10.6 | 178 | -62.9 | 177.7 | 0 | 0 | 0 | 112.4 | M136 P140 F141 M154 K156 | M136-L138 HydrophobicContact CG-CD2 3.84Å; M136-L138 HydrophobicContact SD-CD2 4.21Å; L138-P140 VanDerWaalsContact C-N 3.28Å; L138-F141 HydrophobicContact CD2-CD2 3.99Å; L138-F141 HydrophobicContact CD2-CE2 4.03Å; L138-F141 WeakPolarHBondContact O-CB 3.41Å; L138-F141 PolarHBondContact O-N 2.59Å; L138-M154 HydrophobicContact CD1-CB 4.5Å; L138-M154 HydrophobicContact CD2-CB 4.05Å; L138-K156 HydrophobicContact CD1-CB 4.25Å; L138-K156 HydrophobicContact CD1-CD 4.15Å; L138-K156 HydrophobicContact CD1-CG 4.01Å; L138-K156 HydrophobicContact CD2-CB 4.45Å; L138-K156 HydrophobicContact CG-CD 4.2Å | ||
| 139 | S | 92.6 | Very high | 89.3 | Confident | 46 Ų | 46 | 35.5 Ų | 35.5 | 32% | 0.322 | 19% | 0.185 | S | C | . | . | G | 310 helix | trans | -54.7 | -34.4 | -179.1 | 85.3 | 0 | 0 | 0 | 0 | 114.1 | D137 F141 L142 | D137-S139 VanDerWaalsContact OD1-CB 3.28Å; D137-S139 WeakPolarHBondContact OD1-CB 3.46Å; D137-S139 PolarHBondContact OD1-N 3.11Å; D137-S139 PolarHBondContact OD1-OG 3.26Å; D137-S139 PolarHBondContact OD2-OG 2.78Å; S139-F141 VanDerWaalsContact C-N 3.27Å; S139-F141 PolarHBondContact O-N 3.45Å; S139-L142 WeakPolarHBondContact O-CB 3.4Å; S139-L142 PolarHBondContact O-N 3.44Å |
| 140 | P | 94.5 | Very high | 88.3 | Confident | 3 Ų | 3 | 39.1 Ų | 39.1 | 2% | 0.019 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -68 | -23.1 | 178 | -23.9 | 38.6 | 0 | 0 | 0 | 113.6 | F25 I42 Y55 L138 L142 R143 | F25-P140 HydrophobicContact CE1-CB 4.15Å; F25-P140 WeakPolarHBondContact CE1-O 3.37Å; F25-P140 HydrophobicContact CZ-CB 3.83Å; F25-P140 WeakPolarHBondContact CZ-O 3.04Å; I42-P140 HydrophobicContact CD1-CB 3.94Å; I42-P140 HydrophobicContact CD1-CG 4.02Å; Y55-P140 HydrophobicContact CD1-CB 3.84Å; Y55-P140 HydrophobicContact CD1-CG 4.22Å; Y55-P140 HydrophobicContact CD2-CB 3.84Å; Y55-P140 HydrophobicContact CE1-CB 3.8Å; Y55-P140 HydrophobicContact CE1-CG 3.69Å; Y55-P140 HydrophobicContact CE2-CB 3.82Å; Y55-P140 HydrophobicContact CE2-CG 4.05Å; Y55-P140 HydrophobicContact CG-CB 3.86Å; L138-P140 VanDerWaalsContact C-N 3.28Å; P140-L142 PolarHBondContact O-N 2.72Å; P140-R143 WeakPolarHBondContact O-CB 3.3Å; P140-R143 PolarHBondContact O-N 3.35Å |
| 141 | F | 93.8 | Very high | 87.3 | Confident | 9 Ų | 9 | 42.2 Ų | 42.2 | 4% | 0.039 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -65.6 | -24.6 | 174.7 | -77.1 | -78.3 | 0 | 0 | 0 | 112.8 | Y55 M136 L138 S139 R143 I144 P146 M154 | Y55-F141 AromaticContact CD1-CD2 3.98Å; Y55-F141 HydrophobicContact CD1-CD2 3.98Å; Y55-F141 AromaticContact CD1-CE2 3.76Å; Y55-F141 HydrophobicContact CD1-CE2 3.76Å; Y55-F141 HydrophobicContact CD1-CZ 4.18Å; M136-F141 HydrophobicContact CE-CE2 3.86Å; M136-F141 HydrophobicContact SD-CE2 4.19Å; L138-F141 HydrophobicContact CD2-CD2 3.99Å; L138-F141 HydrophobicContact CD2-CE2 4.03Å; L138-F141 WeakPolarHBondContact O-CB 3.41Å; L138-F141 PolarHBondContact O-N 2.59Å; S139-F141 VanDerWaalsContact C-N 3.27Å; S139-F141 PolarHBondContact O-N 3.45Å; F141-R143 PolarHBondContact O-N 2.93Å; F141-I144 HydrophobicContact CD1-CD1 4.05Å; F141-I144 WeakPolarHBondContact O-CG1 3.44Å; F141-I144 PolarHBondContact O-N 2.92Å; F141-P146 HydrophobicContact CD1-CB 4.42Å; F141-M154 HydrophobicContact CB-CG 3.7Å; F141-M154 HydrophobicContact CD1-CE 4.2Å; F141-M154 HydrophobicContact CD1-CG 3.68Å; F141-M154 HydrophobicContact CD1-SD 4.12Å; F141-M154 HydrophobicContact CD2-CB 4.16Å; F141-M154 HydrophobicContact CD2-CG 3.78Å; F141-M154 HydrophobicContact CE1-CE 3.76Å; F141-M154 HydrophobicContact CE1-CG 4.18Å; F141-M154 HydrophobicContact CE1-SD 4.27Å; F141-M154 HydrophobicContact CE2-CE 4.36Å; F141-M154 HydrophobicContact CE2-CG 4.26Å; F141-M154 HydrophobicContact CG-CB 4.31Å; F141-M154 HydrophobicContact CG-CG 3.47Å; F141-M154 VanDerWaalsContact CG-CG 3.47Å; F141-M154 HydrophobicContact CZ-CE 3.86Å; F141-M154 HydrophobicContact CZ-CG 4.46Å |
| 142 | L | 90.5 | Very high | 86.8 | Confident | 146 Ų | 146 | 43.9 Ų | 43.9 | 76% | 0.764 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | -70.7 | -12.5 | 174.2 | -59.2 | 175 | 0 | 0 | 0 | 112.9 | S139 P140 I144 | S139-L142 WeakPolarHBondContact O-CB 3.4Å; S139-L142 PolarHBondContact O-N 3.44Å; P140-L142 PolarHBondContact O-N 2.72Å; L142-I144 VanDerWaalsContact C-N 3.34Å |
| 143 | R | 91.9 | Very high | 86.5 | Confident | 79 Ų | 79 | 49.1 Ų | 49.1 | 30% | 0.298 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -92.7 | 2.2 | -179.8 | -52.3 | -178.1 | -166.3 | -175.3 | 1.4 | 112.8 | F25 L37 M38 P140 F141 | F25-R143 HydrophobicContact CZ-CB 4.09Å; L37-R143 WeakPolarHBondContact CA-O 3.21Å; L37-R143 VanDerWaalsContact CB-O 3.27Å; L37-R143 WeakPolarHBondContact CB-O 3.49Å; L37-R143 PolarHBondContact N-O 3.22Å; M38-R143 PolarHBondContact N-O 2.73Å; M38-R143 WeakPolarHBondContact O-CB 3.38Å; M38-R143 VanDerWaalsContact O-CD 3.25Å; M38-R143 WeakPolarHBondContact O-CD 3.47Å; P140-R143 WeakPolarHBondContact O-CB 3.3Å; P140-R143 PolarHBondContact O-N 3.35Å; F141-R143 PolarHBondContact O-N 2.93Å |
| 144 | I | 90.7 | Very high | 86.4 | Confident | 4 Ų | 4 | 49.8 Ų | 49.8 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | B | Isolated β-bridge | trans | -138.4 | 165.2 | 178.9 | 60.3 | 167.7 | 0 | 0 | 0 | 109.9 | F25 H35 V53 F141 L142 P146 | F25-I144 HydrophobicContact CD1-CD1 4.15Å; F25-I144 HydrophobicContact CD1-CG2 3.6Å; F25-I144 HydrophobicContact CE1-CD1 4.17Å; F25-I144 HydrophobicContact CE1-CG1 4.26Å; F25-I144 HydrophobicContact CE1-CG2 3.54Å; F25-I144 HydrophobicContact CG-CG2 4.3Å; F25-I144 HydrophobicContact CZ-CG2 4.21Å; H35-I144 CarbonylContact O-C 3.59Å; H35-I144 VanDerWaalsContact O-CA 3.22Å; H35-I144 WeakPolarHBondContact O-CA 3.1Å; H35-I144 WeakPolarHBondContact O-CB 3.34Å; V53-I144 HydrophobicContact CG1-CB 4.06Å; V53-I144 HydrophobicContact CG1-CD1 4.03Å; V53-I144 HydrophobicContact CG1-CG2 3.79Å; F141-I144 HydrophobicContact CD1-CD1 4.05Å; F141-I144 WeakPolarHBondContact O-CG1 3.44Å; F141-I144 PolarHBondContact O-N 2.92Å; L142-I144 VanDerWaalsContact C-N 3.34Å; I144-P146 HydrophobicContact CD1-CB 4.49Å; I144-P146 WeakPolarHBondContact O-CD 3.05Å |
| 145 | N | 84.4 | Confident | 86.5 | Confident | 27 Ų | 27 | 49.8 Ų | 49.8 | 14% | 0.144 | 28% | 0.284 | C | S | . | . | trans | -100.9 | 88.5 | 166.3 | -70.9 | -35.4 | 0 | 0 | 0 | 108.5 | H35 C147 G148 A150 | H35-N145 HydrophobicContact CB-CB 4.09Å; H35-N145 PolarHBondContact O-N 2.86Å; N145-C147 PolarHBondContact O-N 3.01Å; N145-G148 PolarHBondContact O-N 2.93Å; N145-A150 WeakPolarHBondContact OD1-CA 3.11Å | ||
| 146 | P | 79 | Confident | 86.7 | Confident | 4 Ų | 4 | 48.5 Ų | 48.5 | 3% | 0.026 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -61.8 | 140.4 | -179.1 | 25.6 | -29 | 0 | 0 | 0 | 109.5 | F141 I144 G148 Y149 M152 M154 | F141-P146 HydrophobicContact CD1-CB 4.42Å; I144-P146 HydrophobicContact CD1-CB 4.49Å; I144-P146 WeakPolarHBondContact O-CD 3.05Å; P146-G148 PolarHBondContact O-N 2.8Å; P146-Y149 PolarHBondContact O-N 3.35Å; P146-M152 HydrophobicContact CG-CB 4.09Å; P146-M152 HydrophobicContact CG-CG 4.37Å; P146-M154 HydrophobicContact CB-SD 4.38Å; P146-M154 HydrophobicContact CG-SD 4.19Å |
| 147 | C | 72.3 | Confident | 86.7 | Confident | 38 Ų | 38 | 48.4 Ų | 48.4 | 26% | 0.257 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | 60.7 | 6.9 | -172.4 | -63.9 | 0 | 0 | 0 | 0 | 115.8 | K113 N145 Y149 M152 | K113-C147 PolarHBondContact NZ-SG 3.25Å; N145-C147 PolarHBondContact O-N 3.01Å; C147-Y149 HydrophobicContact CB-CD2 4.28Å; C147-Y149 WeakPolarHBondContact O-CD2 3.13Å; C147-M152 HydrophobicContact CB-CE 3.96Å; C147-M152 HydrophobicContact CB-SD 4.11Å |
| 148 | G | 71.1 | Confident | 86.8 | Confident | 20 Ų | 20 | 45 Ų | 45 | 21% | 0.206 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | 85.5 | 1.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | H35 N145 P146 | H35-G148 VanDerWaalsContact CE1-CA 3.43Å; H35-G148 WeakPolarHBondContact CE1-CA 3.25Å; H35-G148 PolarHBondContact CE1-O 2.89Å; H35-G148 WeakPolarHBondContact NE2-CA 3.2Å; N145-G148 PolarHBondContact O-N 2.93Å; P146-G148 PolarHBondContact O-N 2.8Å |
| 149 | Y | 71.3 | Confident | 86.7 | Confident | 157 Ų | 157 | 47.9 Ų | 47.9 | 62% | 0.616 | 27% | 0.269 | S | S | * | . | trans | -106.2 | 138 | 176.7 | -58.8 | -80.6 | 0 | 0 | 0 | 110.5 | P146 C147 M152 | P146-Y149 PolarHBondContact O-N 3.35Å; C147-Y149 HydrophobicContact CB-CD2 4.28Å; C147-Y149 WeakPolarHBondContact O-CD2 3.13Å; Y149-M152 HydrophobicContact CD2-CE 4.49Å | ||
| 150 | A | 69.6 | Low | 86.9 | Confident | 83 Ų | 83 | 50.6 Ų | 50.6 | 69% | 0.686 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | 143.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | N145 M152 | N145-A150 WeakPolarHBondContact OD1-CA 3.11Å; A150-M152 PolarHBondContact O-N 2.9Å |
| 151 | G | 72.2 | Confident | 86.7 | Confident | 72 Ų | 72 | 54 Ų | 54 | 74% | 0.742 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.8 | 10.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | E153 | G151-E153 PolarHBondContact O-N 3.29Å; G151-E153 VanDerWaalsContact O-N 3.13Å |
| 152 | M | 82.3 | Confident | 86.4 | Confident | 37 Ų | 37 | 58.3 Ų | 58.3 | 18% | 0.182 | 32% | 0.316 | C | S | . | . | trans | -66.4 | 114 | 172.9 | 175.7 | 172.9 | -62.5 | 0 | 0 | 110.2 | Y108 K113 P146 C147 Y149 A150 | Y108-M152 HydrophobicContact CE1-SD 4.47Å; K113-M152 HydrophobicContact CB-SD 4.24Å; K113-M152 HydrophobicContact CD-SD 3.9Å; P146-M152 HydrophobicContact CG-CB 4.09Å; P146-M152 HydrophobicContact CG-CG 4.37Å; C147-M152 HydrophobicContact CB-CE 3.96Å; C147-M152 HydrophobicContact CB-SD 4.11Å; Y149-M152 HydrophobicContact CD2-CE 4.49Å; A150-M152 PolarHBondContact O-N 2.9Å | ||
| 153 | E | 90.5 | Very high | 86.2 | Confident | 111 Ų | 111 | 57.2 Ų | 57.2 | 52% | 0.519 | 31% | 0.307 | S | S | . | . | trans | -76.2 | 138.8 | 177.1 | -71.4 | -169.8 | -155.1 | 0 | 0 | 111.5 | K112 K113 G151 | K112-E153 CarbonylContact C-O 3.59Å; K112-E153 VanDerWaalsContact CA-O 3.28Å; K112-E153 WeakPolarHBondContact CA-O 3.2Å; K112-E153 HydrophobicContact CB-CB 4.4Å; K112-E153 HydrophobicContact CD-CB 4.16Å; K112-E153 WeakPolarHBondContact CD-OE2 3.15Å; K112-E153 WeakPolarHBondContact CE-OE2 3.46Å; K112-E153 HydrophobicContact CG-CB 3.94Å; K112-E153 IonicContact NZ-OE2 2.66Å; K112-E153 PolarHBondContact NZ-OE2 3.34Å; K113-E153 PolarHBondContact N-O 3.34Å; G151-E153 PolarHBondContact O-N 3.29Å; G151-E153 VanDerWaalsContact O-N 3.13Å | ||
| 154 | M | 95 | Very high | 85.9 | Confident | 15 Ų | 15 | 53.6 Ų | 53.6 | 7% | 0.074 | 29% | 0.294 | C | S | . | . | B | Isolated β-bridge | trans | -100.4 | 149.3 | 173.8 | -55.7 | -59.4 | -65.3 | 0 | 0 | 110.4 | K113 L138 F141 P146 | K113-M154 HydrophobicContact CB-CE 3.91Å; K113-M154 HydrophobicContact CB-SD 3.77Å; K113-M154 HydrophobicContact CD-CE 4.18Å; K113-M154 HydrophobicContact CD-SD 4.38Å; K113-M154 HydrophobicContact CG-CE 4Å; K113-M154 HydrophobicContact CG-SD 4.38Å; K113-M154 CarbonylContact O-C 3.47Å; K113-M154 VanDerWaalsContact O-CA 3.27Å; K113-M154 WeakPolarHBondContact O-CA 3.28Å; K113-M154 WeakPolarHBondContact O-CE 3.36Å; L138-M154 HydrophobicContact CD1-CB 4.5Å; L138-M154 HydrophobicContact CD2-CB 4.05Å; F141-M154 HydrophobicContact CB-CG 3.7Å; F141-M154 HydrophobicContact CD1-CE 4.2Å; F141-M154 HydrophobicContact CD1-CG 3.68Å; F141-M154 HydrophobicContact CD1-SD 4.12Å; F141-M154 HydrophobicContact CD2-CB 4.16Å; F141-M154 HydrophobicContact CD2-CG 3.78Å; F141-M154 HydrophobicContact CE1-CE 3.76Å; F141-M154 HydrophobicContact CE1-CG 4.18Å; F141-M154 HydrophobicContact CE1-SD 4.27Å; F141-M154 HydrophobicContact CE2-CE 4.36Å; F141-M154 HydrophobicContact CE2-CG 4.26Å; F141-M154 HydrophobicContact CG-CB 4.31Å; F141-M154 HydrophobicContact CG-CG 3.47Å; F141-M154 VanDerWaalsContact CG-CG 3.47Å; F141-M154 HydrophobicContact CZ-CE 3.86Å; F141-M154 HydrophobicContact CZ-CG 4.46Å; P146-M154 HydrophobicContact CB-SD 4.38Å; P146-M154 HydrophobicContact CG-SD 4.19Å |
| 155 | A | 96.4 | Very high | 85.6 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 31% | 0.311 | C | S | . | . | trans | -117.5 | 163.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | K112 K113 I114 N133 W160 | K112-A155 HydrophobicContact CB-CB 3.79Å; K113-A155 PolarHBondContact O-N 3.06Å; I114-A155 HydrophobicContact CB-CB 4.01Å; I114-A155 HydrophobicContact CD1-CB 4.46Å; I114-A155 HydrophobicContact CG1-CB 4.25Å; N133-A155 WeakPolarHBondContact CB-O 3.48Å; N133-A155 PolarHBondContact ND2-O 2.91Å; A155-W160 HydrophobicContact CB-CH2 3.75Å; A155-W160 HydrophobicContact CB-CZ3 4.02Å | ||
| 156 | K | 96.9 | Very high | 85.3 | Confident | 45 Ų | 45 | 55.5 Ų | 55.5 | 20% | 0.196 | 31% | 0.307 | C | S | . | . | trans | -143.1 | 149 | 172.3 | 64.7 | 179.4 | 179.5 | 172.3 | 0 | 110.8 | N133 M136 L138 S158 Q159 W160 | N133-K156 HydrophobicContact CB-CB 3.94Å; N133-K156 CarbonylContact O-C 3.59Å; N133-K156 VanDerWaalsContact O-CA 3.28Å; N133-K156 WeakPolarHBondContact O-CA 3.21Å; M136-K156 WeakPolarHBondContact O-CD 3.45Å; M136-K156 PolarHBondContact O-NZ 2.88Å; L138-K156 HydrophobicContact CD1-CB 4.25Å; L138-K156 HydrophobicContact CD1-CD 4.15Å; L138-K156 HydrophobicContact CD1-CG 4.01Å; L138-K156 HydrophobicContact CD2-CB 4.45Å; L138-K156 HydrophobicContact CG-CD 4.2Å; K156-S158 WeakPolarHBondContact CD-OG 3.35Å; K156-S158 VanDerWaalsContact CE-OG 3.3Å; K156-S158 WeakPolarHBondContact CE-OG 3.34Å; K156-S158 PolarHBondContact O-N 3.13Å; K156-S158 VanDerWaalsContact O-N 3.15Å; K156-Q159 HydrophobicContact CG-CG 3.84Å; K156-Q159 WeakPolarHBondContact O-CB 3.47Å; K156-Q159 PolarHBondContact O-N 2.94Å; K156-Q159 VanDerWaalsContact O-N 3.09Å; K156-Q159 PolarHBondContact O-OE1 2.84Å; K156-W160 WeakPolarHBondContact O-CZ3 3.33Å | ||
| 157 | I | 95.7 | Very high | 85 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -54.7 | -38.5 | -176.7 | -63.7 | 178.3 | 0 | 0 | 0 | 111.9 | L91 L94 I96 I114 L132 N133 V134 Q159 W160 K161 A164 I169 | L91-I157 HydrophobicContact CD2-CD1 3.8Å; L91-I157 HydrophobicContact CD2-CG1 3.66Å; L94-I157 HydrophobicContact CD1-CD1 4.12Å; L94-I157 HydrophobicContact CD1-CG2 3.62Å; I96-I157 HydrophobicContact CD1-CG2 3.94Å; I114-I157 HydrophobicContact CD1-CG1 4Å; L132-I157 HydrophobicContact CD1-CD1 4.37Å; L132-I157 HydrophobicContact CD2-CD1 4.03Å; L132-I157 HydrophobicContact CG-CD1 4.19Å; N133-I157 PolarHBondContact O-N 3.4Å; V134-I157 HydrophobicContact CB-CD1 4.49Å; V134-I157 HydrophobicContact CG1-CB 4.41Å; V134-I157 HydrophobicContact CG1-CD1 4.32Å; V134-I157 HydrophobicContact CG2-CD1 4.18Å; V134-I157 PolarHBondContact O-N 3.08Å; V134-I157 VanDerWaalsContact O-N 3.13Å; I157-Q159 PolarHBondContact O-N 3.4Å; I157-W160 PolarHBondContact O-N 2.98Å; I157-K161 HydrophobicContact CG2-CB 4.19Å; I157-K161 PolarHBondContact O-N 2.89Å; I157-A164 HydrophobicContact CB-CB 4.2Å; I157-A164 HydrophobicContact CG2-CB 3.47Å; I157-A164 VanDerWaalsContact CG2-CB 3.47Å; I157-I169 HydrophobicContact CD1-CG1 4.21Å; I157-I169 HydrophobicContact CD1-CG2 4.12Å |
| 158 | S | 95.2 | Very high | 84.9 | Confident | 16 Ų | 16 | 63.3 Ų | 63.3 | 11% | 0.112 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -64.9 | -8.7 | -177.5 | 65.8 | 0 | 0 | 0 | 0 | 115.7 | V134 N135 K156 W160 K161 | V134-S158 PolarHBondContact O-N 3.46Å; V134-S158 PolarHBondContact O-OG 2.87Å; N135-S158 WeakPolarHBondContact OD1-CB 3.26Å; N135-S158 PolarHBondContact OD1-OG 2.98Å; K156-S158 WeakPolarHBondContact CD-OG 3.35Å; K156-S158 VanDerWaalsContact CE-OG 3.3Å; K156-S158 WeakPolarHBondContact CE-OG 3.34Å; K156-S158 PolarHBondContact O-N 3.13Å; K156-S158 VanDerWaalsContact O-N 3.15Å; S158-W160 VanDerWaalsContact C-N 3.28Å; S158-K161 VanDerWaalsContact CA-O 3.3Å; S158-K161 WeakPolarHBondContact CA-O 3.42Å |
| 159 | Q | 95.1 | Very high | 84.8 | Confident | 93 Ų | 93 | 62.5 Ų | 62.5 | 44% | 0.435 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -68 | -28 | 168.2 | -70.2 | 168.6 | -34.6 | 0 | 0 | 112.6 | K156 I157 | K156-Q159 HydrophobicContact CG-CG 3.84Å; K156-Q159 WeakPolarHBondContact O-CB 3.47Å; K156-Q159 PolarHBondContact O-N 2.94Å; K156-Q159 VanDerWaalsContact O-N 3.09Å; K156-Q159 PolarHBondContact O-OE1 2.84Å; I157-Q159 PolarHBondContact O-N 3.4Å |
| 160 | W | 95.7 | Very high | 84 | Confident | 104 Ų | 104 | 56 Ų | 56 | 39% | 0.394 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | -27.6 | 177.6 | -61.5 | -90.1 | 0 | 0 | 0 | 112.9 | I96 V109 I114 A155 K156 I157 S158 | I96-W160 HydrophobicContact CD1-CB 3.81Å; I96-W160 HydrophobicContact CD1-CD2 4.3Å; I96-W160 HydrophobicContact CD1-CE3 4.07Å; I96-W160 HydrophobicContact CD1-CG 4.22Å; I96-W160 HydrophobicContact CG1-CB 3.77Å; I96-W160 HydrophobicContact CG1-CD2 4.31Å; I96-W160 HydrophobicContact CG1-CG 3.98Å; I96-W160 HydrophobicContact CG2-CD2 4.21Å; I96-W160 HydrophobicContact CG2-CE3 4.26Å; V109-W160 HydrophobicContact CB-CH2 3.87Å; V109-W160 HydrophobicContact CB-CZ2 4.1Å; V109-W160 HydrophobicContact CG1-CH2 3.65Å; V109-W160 HydrophobicContact CG1-CZ2 3.35Å; V109-W160 HydrophobicContact CG2-CH2 4.22Å; I114-W160 HydrophobicContact CD1-CZ3 4.01Å; A155-W160 HydrophobicContact CB-CH2 3.75Å; A155-W160 HydrophobicContact CB-CZ3 4.02Å; K156-W160 WeakPolarHBondContact O-CZ3 3.33Å; I157-W160 PolarHBondContact O-N 2.98Å; S158-W160 VanDerWaalsContact C-N 3.28Å |
| 161 | K | 91.3 | Very high | 82.9 | Confident | 73 Ų | 73 | 55.2 Ų | 55.2 | 32% | 0.317 | 30% | 0.303 | S | S | . | . | trans | -131.1 | 82.9 | -178.9 | -63.1 | -61.9 | 177.1 | -170 | 0 | 110.8 | L94 I157 S158 E163 A164 | L94-K161 HydrophobicContact CB-CG 4.28Å; L94-K161 WeakPolarHBondContact O-CE 2.92Å; I157-K161 HydrophobicContact CG2-CB 4.19Å; I157-K161 PolarHBondContact O-N 2.89Å; S158-K161 VanDerWaalsContact CA-O 3.3Å; S158-K161 WeakPolarHBondContact CA-O 3.42Å; K161-E163 PolarHBondContact O-N 2.75Å; K161-A164 HydrophobicContact CB-CB 4.11Å; K161-A164 WeakPolarHBondContact O-CB 3.46Å; K161-A164 PolarHBondContact O-N 2.95Å | ||
| 162 | P | 88.3 | Confident | 81.6 | Confident | 101 Ų | 101 | 53.3 Ų | 53.3 | 66% | 0.656 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -27.7 | -174.1 | -28 | 36.1 | 0 | 0 | 0 | 114.8 | A164 | P162-A164 VanDerWaalsContact C-N 3.32Š|
| 163 | E | 85.6 | Confident | 79.9 | Confident | 123 Ų | 123 | 52.6 Ų | 52.6 | 58% | 0.575 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -4.6 | 177.2 | 72.7 | -75.9 | 179.2 | 0 | 0 | 114.9 | K161 T165 N168 | K161-E163 PolarHBondContact O-N 2.75Å; E163-T165 PolarHBondContact O-N 2.8Å; E163-N168 PolarHBondContact O-ND2 2.84Å |
| 164 | A | 86.1 | Confident | 77.7 | Confident | 3 Ų | 3 | 56.1 Ų | 56.1 | 3% | 0.025 | 29% | 0.286 | C | S | . | . | trans | -66.7 | 130.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V134 N135 I157 K161 P162 I169 | V134-A164 HydrophobicContact CG1-CB 3.96Å; N135-A164 WeakPolarHBondContact CB-O 3.46Å; I157-A164 HydrophobicContact CB-CB 4.2Å; I157-A164 HydrophobicContact CG2-CB 3.47Å; I157-A164 VanDerWaalsContact CG2-CB 3.47Å; K161-A164 HydrophobicContact CB-CB 4.11Å; K161-A164 WeakPolarHBondContact O-CB 3.46Å; K161-A164 PolarHBondContact O-N 2.95Å; P162-A164 VanDerWaalsContact C-N 3.32Å; A164-I169 HydrophobicContact CB-CG1 4.39Å | ||
| 165 | T | 84.2 | Confident | 75 | Confident | 60 Ų | 60 | 59.6 Ų | 59.6 | 37% | 0.368 | 31% | 0.307 | S | S | . | . | trans | -135.1 | 158.1 | 176.7 | 58.9 | 0 | 0 | 0 | 0 | 109.2 | E163 N167 N168 I169 | E163-T165 PolarHBondContact O-N 2.8Å; T165-N167 PolarHBondContact O-N 2.86Å; T165-N168 PolarHBondContact N-OD1 2.8Å; T165-N168 PolarHBondContact O-N 3.16Å; T165-N168 PolarHBondContact O-OD1 2.95Å; T165-N168 VanDerWaalsContact OG1-CG 3.27Å; T165-N168 PolarHBondContact OG1-N 2.91Å; T165-N168 PolarHBondContact OG1-ND2 3.26Å; T165-N168 PolarHBondContact OG1-OD1 2.91Å; T165-I169 WeakPolarHBondContact O-CG1 3.4Å; T165-I169 PolarHBondContact O-N 3.09Å; T165-I169 VanDerWaalsContact O-N 3.11Å | ||
| 166 | T | 77.4 | Confident | 72.3 | Confident | 11 Ų | 11 | 60.9 Ų | 60.9 | 7% | 0.067 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -54.6 | -40.7 | 176.6 | 44.1 | 0 | 0 | 0 | 0 | 111.5 | E20 Q61 V134 N168 I169 A170 | E20-T166 HydrophobicContact CG-CG2 4.05Å; E20-T166 WeakPolarHBondContact OE1-CB 3.31Å; E20-T166 WeakPolarHBondContact OE1-CG2 3.25Å; E20-T166 PolarHBondContact OE1-OG1 2.84Å; Q61-T166 HydrophobicContact CB-CG2 4.27Å; V134-T166 HydrophobicContact CB-CG2 4.36Å; V134-T166 HydrophobicContact CG2-CG2 4.26Å; T166-N168 PolarHBondContact O-N 3.42Å; T166-I169 PolarHBondContact O-N 3.3Å; T166-A170 VanDerWaalsContact O-CB 3.26Å; T166-A170 WeakPolarHBondContact O-CB 3.42Å; T166-A170 PolarHBondContact O-N 3.21Å |
| 167 | N | 72.6 | Confident | 69.8 | Low | 135 Ų | 135 | 63.3 Ų | 63.3 | 72% | 0.722 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -62.7 | -36.2 | 177.7 | -68.5 | -21.4 | 0 | 0 | 0 | 114.8 | T165 P171 | T165-N167 PolarHBondContact O-N 2.86Å; N167-P171 WeakPolarHBondContact O-CD 3.39Å |
| 168 | N | 71.1 | Confident | 67.6 | Low | 70 Ų | 70 | 64.8 Ų | 64.8 | 37% | 0.374 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -90.5 | -16.4 | -179 | 70.2 | 17.4 | 0 | 0 | 0 | 113.9 | E163 T165 T166 P172 | E163-N168 PolarHBondContact O-ND2 2.84Å; T165-N168 PolarHBondContact N-OD1 2.8Å; T165-N168 PolarHBondContact O-N 3.16Å; T165-N168 PolarHBondContact O-OD1 2.95Å; T165-N168 VanDerWaalsContact OG1-CG 3.27Å; T165-N168 PolarHBondContact OG1-N 2.91Å; T165-N168 PolarHBondContact OG1-ND2 3.26Å; T165-N168 PolarHBondContact OG1-OD1 2.91Å; T166-N168 PolarHBondContact O-N 3.42Å; N168-P172 WeakPolarHBondContact O-CD 3.25Å |
| 169 | I | 68.5 | Low | 65.5 | Low | 4 Ų | 4 | 66.5 Ų | 66.5 | 2% | 0.021 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -91.8 | -24 | 173.4 | -60.1 | -49 | 0 | 0 | 0 | 112.3 | T90 L94 L132 V134 I157 A164 T165 T166 P172 V173 | T90-I169 HydrophobicContact CG2-CG2 3.99Å; L94-I169 HydrophobicContact CD1-CD1 3.62Å; L94-I169 HydrophobicContact CD2-CD1 3.94Å; L94-I169 HydrophobicContact CG-CD1 4.36Å; L132-I169 HydrophobicContact CD2-CG2 4.28Å; V134-I169 HydrophobicContact CG1-CB 4.46Å; V134-I169 HydrophobicContact CG1-CG1 3.82Å; I157-I169 HydrophobicContact CD1-CG1 4.21Å; I157-I169 HydrophobicContact CD1-CG2 4.12Å; A164-I169 HydrophobicContact CB-CG1 4.39Å; T165-I169 WeakPolarHBondContact O-CG1 3.4Å; T165-I169 PolarHBondContact O-N 3.09Å; T165-I169 VanDerWaalsContact O-N 3.11Å; T166-I169 PolarHBondContact O-N 3.3Å; I169-P172 WeakPolarHBondContact O-CD 3.48Å; I169-V173 HydrophobicContact CG2-CG2 4.1Å; I169-V173 WeakPolarHBondContact O-CG2 3.28Å; I169-V173 PolarHBondContact O-N 2.99Å |
| 170 | A | 54.5 | Low | 63.4 | Low | 20 Ų | 20 | 66.1 Ų | 66.1 | 17% | 0.165 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -57 | -43.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L18 T166 V173 Y174 | L18-A170 HydrophobicContact CD1-CB 4.18Å; T166-A170 VanDerWaalsContact O-CB 3.26Å; T166-A170 WeakPolarHBondContact O-CB 3.42Å; T166-A170 PolarHBondContact O-N 3.21Å; A170-V173 PolarHBondContact O-N 3.29Å; A170-Y174 PolarHBondContact O-N 3.14Å; A170-Y174 VanDerWaalsContact O-N 3.08Å |
| 171 | P | 46.4 | Very low | 61.1 | Low | 66 Ų | 66 | 64.1 Ų | 64.1 | 43% | 0.429 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65 | -46 | 178.6 | -16.7 | 28 | 0 | 0 | 0 | 112.9 | N167 V173 Y174 V175 | N167-P171 WeakPolarHBondContact O-CD 3.39Å; P171-V173 VanDerWaalsContact C-N 3.31Å; P171-V173 PolarHBondContact O-N 3.26Å; P171-Y174 CarbonylContact O-C 3.45Å; P171-Y174 WeakPolarHBondContact O-CA 3.4Å; P171-Y174 WeakPolarHBondContact O-CB 2.92Å; P171-Y174 PolarHBondContact O-N 3.48Å; P171-V175 WeakPolarHBondContact O-CB 3.37Å; P171-V175 WeakPolarHBondContact O-CG2 3.44Å; P171-V175 PolarHBondContact O-N 2.94Å |
| 172 | P | 45.3 | Very low | 59.1 | Low | 33 Ų | 33 | 62.3 Ų | 62.3 | 21% | 0.214 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -54.2 | -42.4 | 171.5 | -28.8 | 33.3 | 0 | 0 | 0 | 114.2 | T90 N168 I169 Y174 V175 H176 | T90-P172 HydrophobicContact CG2-CB 4.17Å; N168-P172 WeakPolarHBondContact O-CD 3.25Å; I169-P172 WeakPolarHBondContact O-CD 3.48Å; P172-Y174 PolarHBondContact O-N 2.85Å; P172-V175 PolarHBondContact O-N 3.43Å; P172-H176 PolarHBondContact O-CD2 3.27Å; P172-H176 PolarHBondContact O-N 2.94Å; P172-H176 VanDerWaalsContact O-N 3.1Å; P172-H176 PolarHBondContact O-NE2 3.35Å |
| 173 | V | 46.8 | Very low | 57.4 | Low | 21 Ų | 21 | 57.6 Ų | 57.6 | 13% | 0.127 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.4 | -34.5 | 176.1 | 175.7 | 0 | 0 | 0 | 0 | 111.2 | L18 M63 T90 I169 A170 P171 | L18-V173 HydrophobicContact CD2-CG1 4.5Å; M63-V173 HydrophobicContact SD-CG1 3.72Å; T90-V173 HydrophobicContact CG2-CG2 3.99Å; I169-V173 HydrophobicContact CG2-CG2 4.1Å; I169-V173 WeakPolarHBondContact O-CG2 3.28Å; I169-V173 PolarHBondContact O-N 2.99Å; A170-V173 PolarHBondContact O-N 3.29Å; P171-V173 VanDerWaalsContact C-N 3.31Å; P171-V173 PolarHBondContact O-N 3.26Å |
| 174 | Y | 44.4 | Very low | 55.7 | Low | 185 Ų | 185 | 58.5 Ų | 58.5 | 73% | 0.725 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -81.5 | -33.7 | 174.9 | -154.6 | -89.8 | 0 | 0 | 0 | 113.9 | A170 P171 P172 | A170-Y174 PolarHBondContact O-N 3.14Å; A170-Y174 VanDerWaalsContact O-N 3.08Å; P171-Y174 CarbonylContact O-C 3.45Å; P171-Y174 WeakPolarHBondContact O-CA 3.4Å; P171-Y174 WeakPolarHBondContact O-CB 2.92Å; P171-Y174 PolarHBondContact O-N 3.48Å; P172-Y174 PolarHBondContact O-N 2.85Å |
| 175 | V | 37.2 | Very low | 53.9 | Low | 88 Ų | 88 | 64 Ų | 64 | 53% | 0.533 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -96.1 | -9.9 | -164.6 | 174.4 | 0 | 0 | 0 | 0 | 113.3 | P171 P172 K177 | P171-V175 WeakPolarHBondContact O-CB 3.37Å; P171-V175 WeakPolarHBondContact O-CG2 3.44Å; P171-V175 PolarHBondContact O-N 2.94Å; P172-V175 PolarHBondContact O-N 3.43Å; V175-K177 PolarHBondContact O-N 3.43Å |
| 176 | H | 40 | Very low | 52.6 | Low | 27 Ų | 27 | 66.3 Ų | 66.3 | 13% | 0.125 | 36% | 0.36 | C | S | . | . | trans | -63.8 | 101.2 | 173.5 | -75.1 | -28 | 0 | 0 | 0 | 113.2 | T90 E93 P172 | T90-H176 WeakPolarHBondContact CA-NE2 3.33Å; T90-H176 WeakPolarHBondContact CB-NE2 3.36Å; T90-H176 PolarHBondContact N-NE2 3.16Å; T90-H176 PolarHBondContact OG1-CD2 3.25Å; T90-H176 PolarHBondContact OG1-NE2 3.43Å; E93-H176 IonicContact OE1-CE1 3.56Å; E93-H176 PolarHBondContact OE1-CE1 3.24Å; E93-H176 IonicContact OE1-ND1 3.22Å; E93-H176 PolarHBondContact OE1-ND1 2.91Å; E93-H176 IonicContact OE2-CE1 2.98Å; E93-H176 PolarHBondContact OE2-CE1 3.35Å; E93-H176 IonicContact OE2-ND1 3.88Å; P172-H176 PolarHBondContact O-CD2 3.27Å; P172-H176 PolarHBondContact O-N 2.94Å; P172-H176 VanDerWaalsContact O-N 3.1Å; P172-H176 PolarHBondContact O-NE2 3.35Å | ||
| 177 | K | 44.6 | Very low | 51.5 | Low | 96 Ų | 96 | 72.6 Ų | 72.6 | 42% | 0.417 | 39% | 0.394 | S | S | . | . | S | Bend | 160.3 | 92.7 | 71.7 | -109.2 | -175 | 178.6 | -168.1 | 0 | 108 | N89 V175 N181 | N89-K177 HydrophobicContact CB-CD 4.36Å; N89-K177 VanDerWaalsContact CG-CE 3.45Å; N89-K177 PolarHBondContact ND2-NZ 3.32Å; N89-K177 PolarHBondContact OD1-NZ 2.84Å; V175-K177 PolarHBondContact O-N 3.43Å; K177-N181 WeakPolarHBondContact O-CB 3.34Å | |
| 178 | G | 49.7 | Very low | 51 | Low | 31 Ų | 31 | 70 Ų | 70 | 32% | 0.32 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | 70.6 | 172.2 | 159.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | V180 N181 A182 | G178-V180 PolarHBondContact O-N 2.85Å; G178-N181 PolarHBondContact O-N 2.95Å; G178-N181 VanDerWaalsContact O-N 3.1Å; G178-A182 PolarHBondContact O-N 2.87Å |
| 179 | I | 50.6 | Low | 51.1 | Low | 52 Ų | 52 | 70.7 Ų | 70.7 | 27% | 0.267 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -50.6 | -34.6 | -178.4 | -68.9 | 172.6 | 0 | 0 | 0 | 112 | A183 P190 I193 S194 I197 V216 | I179-A183 WeakPolarHBondContact O-CB 3.39Å; I179-A183 PolarHBondContact O-N 2.73Å; I179-P190 HydrophobicContact CG2-CB 3.92Å; I179-P190 WeakPolarHBondContact CG2-O 3.35Å; I179-I193 HydrophobicContact CB-CG2 4.18Å; I179-I193 HydrophobicContact CG1-CG2 4.12Å; I179-I193 HydrophobicContact CG2-CB 3.91Å; I179-I193 HydrophobicContact CG2-CG2 3.88Å; I179-S194 VanDerWaalsContact CG2-OG 3.25Å; I179-S194 WeakPolarHBondContact CG2-OG 3.31Å; I179-I197 HydrophobicContact CD1-CD1 4.39Å; I179-I197 HydrophobicContact CG1-CD1 4.07Å; I179-V216 HydrophobicContact CG1-CG2 4.42Å |
| 180 | V | 50.3 | Low | 50.8 | Low | 85 Ų | 85 | 73.1 Ų | 73.1 | 52% | 0.515 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -72.5 | -34.9 | -177.4 | -177.8 | 0 | 0 | 0 | 0 | 113.2 | G178 A183 K184 P190 | G178-V180 PolarHBondContact O-N 2.85Å; V180-A183 WeakPolarHBondContact O-CB 3.24Å; V180-K184 PolarHBondContact O-N 2.95Å; V180-P190 HydrophobicContact CB-CG 4.28Å; V180-P190 HydrophobicContact CG1-CG 4.19Å; V180-P190 HydrophobicContact CG2-CB 4.04Å; V180-P190 HydrophobicContact CG2-CG 4.02Å |
| 181 | N | 49.1 | Very low | 51.7 | Low | 62 Ų | 62 | 75.5 Ų | 75.5 | 33% | 0.332 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -89.2 | -34.1 | 174.2 | -88.9 | -4.5 | 0 | 0 | 0 | 112.8 | K177 G178 A183 K184 V185 | K177-N181 WeakPolarHBondContact O-CB 3.34Å; G178-N181 PolarHBondContact O-N 2.95Å; G178-N181 VanDerWaalsContact O-N 3.1Å; N181-A183 PolarHBondContact O-N 3.42Å; N181-K184 CarbonylContact O-C 3.6Å; N181-K184 WeakPolarHBondContact O-CA 3.43Å; N181-K184 PolarHBondContact O-N 2.8Å; N181-V185 WeakPolarHBondContact O-CG2 3.43Å; N181-V185 PolarHBondContact O-N 3.28Å |
| 182 | A | 49.2 | Very low | 52.7 | Low | 36 Ų | 36 | 73.6 Ų | 73.6 | 30% | 0.298 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -53.6 | -38.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | G178 L186 I193 | G178-A182 PolarHBondContact O-N 2.87Å; A182-L186 WeakPolarHBondContact O-CB 3.46Å; A182-L186 WeakPolarHBondContact O-CG 3.49Å; A182-L186 PolarHBondContact O-N 3.11Å; A182-I193 HydrophobicContact CB-CD1 3.88Å; A182-I193 HydrophobicContact CB-CG1 4.34Å; A182-I193 HydrophobicContact CB-CG2 4.21Å |
| 183 | A | 52.7 | Low | 53.7 | Low | 2 Ų | 2 | 72.6 Ų | 72.6 | 2% | 0.017 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -56.5 | -54.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | I179 V180 N181 V185 L186 N187 L188 T189 P190 I193 | I179-A183 WeakPolarHBondContact O-CB 3.39Å; I179-A183 PolarHBondContact O-N 2.73Å; V180-A183 WeakPolarHBondContact O-CB 3.24Å; N181-A183 PolarHBondContact O-N 3.42Å; A183-V185 PolarHBondContact O-N 3.44Å; A183-L186 CarbonylContact O-C 3.59Å; A183-L186 PolarHBondContact O-N 3.08Å; A183-N187 CarbonylContact O-C 3.5Å; A183-N187 WeakPolarHBondContact O-CA 3.4Å; A183-N187 PolarHBondContact O-N 3.42Å; A183-L188 CarbonylContact C-O 3.14Å; A183-L188 VanDerWaalsContact CA-O 3.25Å; A183-L188 WeakPolarHBondContact CA-O 3.42Å; A183-L188 WeakPolarHBondContact CB-O 3.35Å; A183-L188 PolarHBondContact O-N 2.68Å; A183-T189 VanDerWaalsContact CB-C 3.42Å; A183-P190 HydrophobicContact CB-CG 4.13Å; A183-I193 HydrophobicContact CB-CG1 3.75Å |
| 184 | K | 49.2 | Very low | 54.7 | Low | 141 Ų | 141 | 73.9 Ų | 73.9 | 61% | 0.613 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -61.7 | -42.2 | 178.1 | -70.6 | -178.5 | -176.2 | 175.2 | 0 | 114.1 | V180 N181 N187 | V180-K184 PolarHBondContact O-N 2.95Å; N181-K184 CarbonylContact O-C 3.6Å; N181-K184 WeakPolarHBondContact O-CA 3.43Å; N181-K184 PolarHBondContact O-N 2.8Å; K184-N187 PolarHBondContact O-N 3.45Å; K184-N187 PolarHBondContact O-OD1 2.86Å |
| 185 | V | 48.3 | Very low | 56 | Low | 119 Ų | 119 | 70.6 Ų | 70.6 | 72% | 0.721 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -67.5 | -42.8 | -179.6 | 173.4 | 0 | 0 | 0 | 0 | 110.6 | N181 A183 N187 | N181-V185 WeakPolarHBondContact O-CG2 3.43Å; N181-V185 PolarHBondContact O-N 3.28Å; A183-V185 PolarHBondContact O-N 3.44Å; V185-N187 VanDerWaalsContact C-N 3.26Å; V185-N187 PolarHBondContact O-N 3.03Å |
| 186 | L | 57.6 | Low | 57.6 | Low | 108 Ų | 108 | 69.1 Ų | 69.1 | 57% | 0.565 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | 5.2 | 178.7 | -59.9 | 171.2 | 0 | 0 | 0 | 112.8 | A182 A183 L188 I193 | A182-L186 WeakPolarHBondContact O-CB 3.46Å; A182-L186 WeakPolarHBondContact O-CG 3.49Å; A182-L186 PolarHBondContact O-N 3.11Å; A183-L186 CarbonylContact O-C 3.59Å; A183-L186 PolarHBondContact O-N 3.08Å; L186-L188 HydrophobicContact CB-CD1 4.1Å; L186-L188 HydrophobicContact CB-CG 4.15Å; L186-L188 PolarHBondContact O-N 2.96Å; L186-L188 VanDerWaalsContact O-N 3.16Å; L186-I193 HydrophobicContact CB-CD1 4.37Å; L186-I193 HydrophobicContact CD1-CD1 3.51Å; L186-I193 HydrophobicContact CG-CD1 4.46Å |
| 187 | N | 53.8 | Low | 59 | Low | 143 Ų | 143 | 69 Ų | 69 | 77% | 0.765 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 33 | -171.5 | -70.3 | -39.2 | 0 | 0 | 0 | 114.2 | A183 K184 V185 | A183-N187 CarbonylContact O-C 3.5Å; A183-N187 WeakPolarHBondContact O-CA 3.4Å; A183-N187 PolarHBondContact O-N 3.42Å; K184-N187 PolarHBondContact O-N 3.45Å; K184-N187 PolarHBondContact O-OD1 2.86Å; V185-N187 VanDerWaalsContact C-N 3.26Å; V185-N187 PolarHBondContact O-N 3.03Å |
| 188 | L | 62.7 | Low | 60.3 | Low | 81 Ų | 81 | 69.5 Ų | 69.5 | 42% | 0.424 | 40% | 0.399 | S | S | . | . | trans | -104.6 | 167.9 | 175.3 | -67.7 | 177.9 | 0 | 0 | 0 | 111.1 | A183 L186 A192 I193 | A183-L188 CarbonylContact C-O 3.14Å; A183-L188 VanDerWaalsContact CA-O 3.25Å; A183-L188 WeakPolarHBondContact CA-O 3.42Å; A183-L188 WeakPolarHBondContact CB-O 3.35Å; A183-L188 PolarHBondContact O-N 2.68Å; L186-L188 HydrophobicContact CB-CD1 4.1Å; L186-L188 HydrophobicContact CB-CG 4.15Å; L186-L188 PolarHBondContact O-N 2.96Å; L186-L188 VanDerWaalsContact O-N 3.16Å; L188-A192 HydrophobicContact CB-CB 4.18Å; L188-A192 HydrophobicContact CD2-CB 4.41Å; L188-I193 HydrophobicContact CB-CD1 4.17Å; L188-I193 HydrophobicContact CB-CG1 4.16Å; L188-I193 HydrophobicContact CD1-CD1 3.91Å | ||
| 189 | T | 71.4 | Confident | 61.6 | Low | 85 Ų | 85 | 74.8 Ų | 74.8 | 52% | 0.521 | 41% | 0.413 | S | S | . | . | trans | -84.3 | 155.2 | 168.7 | 66.3 | 0 | 0 | 0 | 0 | 110.5 | A183 S191 A192 I193 | A183-T189 VanDerWaalsContact CB-C 3.42Å; T189-S191 PolarHBondContact O-N 3.19Å; T189-S191 VanDerWaalsContact O-N 3.16Å; T189-A192 PolarHBondContact O-N 3.46Å; T189-A192 WeakPolarHBondContact OG1-CB 3.26Å; T189-A192 PolarHBondContact OG1-N 3.42Å; T189-A192 VanDerWaalsContact OG1-N 3.12Å; T189-I193 PolarHBondContact O-N 3.21Å; T189-I193 VanDerWaalsContact O-N 3.09Å | ||
| 190 | P | 63.7 | Low | 62.6 | Low | 54 Ų | 54 | 75.2 Ų | 75.2 | 35% | 0.351 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -55.6 | -33 | 174.1 | -23.6 | 31.8 | 0 | 0 | 0 | 112.6 | I179 V180 A183 S194 | I179-P190 HydrophobicContact CG2-CB 3.92Å; I179-P190 WeakPolarHBondContact CG2-O 3.35Å; V180-P190 HydrophobicContact CB-CG 4.28Å; V180-P190 HydrophobicContact CG1-CG 4.19Å; V180-P190 HydrophobicContact CG2-CB 4.04Å; V180-P190 HydrophobicContact CG2-CG 4.02Å; A183-P190 HydrophobicContact CB-CG 4.13Å; P190-S194 WeakPolarHBondContact O-CB 3.28Å; P190-S194 PolarHBondContact O-N 2.82Å; P190-S194 PolarHBondContact O-OG 3.28Å |
| 191 | S | 72.6 | Confident | 63.7 | Low | 71 Ų | 71 | 76.5 Ų | 76.5 | 50% | 0.497 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.8 | -47.7 | 173.2 | -177.4 | 0 | 0 | 0 | 0 | 111.9 | T189 I193 S194 Q195 | T189-S191 PolarHBondContact O-N 3.19Å; T189-S191 VanDerWaalsContact O-N 3.16Å; S191-I193 PolarHBondContact O-N 3.44Å; S191-S194 WeakPolarHBondContact O-CB 3.49Å; S191-S194 PolarHBondContact O-N 2.94Å; S191-S194 VanDerWaalsContact O-N 3.14Å; S191-Q195 WeakPolarHBondContact O-CG 3.38Å; S191-Q195 PolarHBondContact O-N 3.33Å |
| 192 | A | 67 | Low | 65 | Low | 26 Ų | 26 | 79.3 Ų | 79.3 | 22% | 0.215 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -61.2 | -42.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L188 T189 Q195 S196 | L188-A192 HydrophobicContact CB-CB 4.18Å; L188-A192 HydrophobicContact CD2-CB 4.41Å; T189-A192 PolarHBondContact O-N 3.46Å; T189-A192 WeakPolarHBondContact OG1-CB 3.26Å; T189-A192 PolarHBondContact OG1-N 3.42Å; T189-A192 VanDerWaalsContact OG1-N 3.12Å; A192-Q195 PolarHBondContact O-N 3.34Å; A192-S196 PolarHBondContact O-N 2.9Å; A192-S196 PolarHBondContact O-OG 2.85Å |
| 193 | I | 67.1 | Low | 66.4 | Low | 12 Ų | 12 | 83.3 Ų | 83.3 | 6% | 0.062 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -60 | -47.8 | 172.9 | -62.9 | -77.5 | 0 | 0 | 0 | 111 | I179 A182 A183 L186 L188 T189 S191 Q195 S196 I197 | I179-I193 HydrophobicContact CB-CG2 4.18Å; I179-I193 HydrophobicContact CG1-CG2 4.12Å; I179-I193 HydrophobicContact CG2-CB 3.91Å; I179-I193 HydrophobicContact CG2-CG2 3.88Å; A182-I193 HydrophobicContact CB-CD1 3.88Å; A182-I193 HydrophobicContact CB-CG1 4.34Å; A182-I193 HydrophobicContact CB-CG2 4.21Å; A183-I193 HydrophobicContact CB-CG1 3.75Å; L186-I193 HydrophobicContact CB-CD1 4.37Å; L186-I193 HydrophobicContact CD1-CD1 3.51Å; L186-I193 HydrophobicContact CG-CD1 4.46Å; L188-I193 HydrophobicContact CB-CD1 4.17Å; L188-I193 HydrophobicContact CB-CG1 4.16Å; L188-I193 HydrophobicContact CD1-CD1 3.91Å; T189-I193 PolarHBondContact O-N 3.21Å; T189-I193 VanDerWaalsContact O-N 3.09Å; S191-I193 PolarHBondContact O-N 3.44Å; I193-Q195 VanDerWaalsContact C-N 3.29Å; I193-Q195 PolarHBondContact O-N 3.32Å; I193-S196 PolarHBondContact O-N 3.05Å; I193-I197 HydrophobicContact CG2-CD1 3.85Å; I193-I197 HydrophobicContact CG2-CG1 4.42Å; I193-I197 WeakPolarHBondContact O-CG1 3.42Å; I193-I197 PolarHBondContact O-N 2.68Å |
| 194 | S | 66.6 | Low | 67.6 | Low | 48 Ų | 48 | 85.4 Ų | 85.4 | 34% | 0.336 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -58.9 | -42.6 | 179.5 | -58.7 | 0 | 0 | 0 | 0 | 111.4 | I179 P190 S191 I197 Q198 | I179-S194 VanDerWaalsContact CG2-OG 3.25Å; I179-S194 WeakPolarHBondContact CG2-OG 3.31Å; P190-S194 WeakPolarHBondContact O-CB 3.28Å; P190-S194 PolarHBondContact O-N 2.82Å; P190-S194 PolarHBondContact O-OG 3.28Å; S191-S194 WeakPolarHBondContact O-CB 3.49Å; S191-S194 PolarHBondContact O-N 2.94Å; S191-S194 VanDerWaalsContact O-N 3.14Å; S194-I197 PolarHBondContact O-N 2.72Å; S194-Q198 WeakPolarHBondContact O-CB 3.37Å; S194-Q198 PolarHBondContact O-N 3.47Å |
| 195 | Q | 73.1 | Confident | 68.4 | Low | 115 Ų | 115 | 84.5 Ų | 84.5 | 54% | 0.537 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.7 | -41.9 | 175.9 | -73.2 | -176.2 | -1.8 | 0 | 0 | 112 | S191 A192 I193 Q198 K199 | S191-Q195 WeakPolarHBondContact O-CG 3.38Å; S191-Q195 PolarHBondContact O-N 3.33Å; A192-Q195 PolarHBondContact O-N 3.34Å; I193-Q195 VanDerWaalsContact C-N 3.29Å; I193-Q195 PolarHBondContact O-N 3.32Å; Q195-Q198 PolarHBondContact O-N 3.25Å; Q195-K199 WeakPolarHBondContact O-CG 3.47Å; Q195-K199 PolarHBondContact O-N 2.95Å |
| 196 | S | 70.6 | Confident | 69.2 | Low | 57 Ų | 57 | 83.1 Ų | 83.1 | 40% | 0.399 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.5 | -44 | 175 | -65.9 | 0 | 0 | 0 | 0 | 111.9 | A192 I193 Q198 K199 L200 | A192-S196 PolarHBondContact O-N 2.9Å; A192-S196 PolarHBondContact O-OG 2.85Å; I193-S196 PolarHBondContact O-N 3.05Å; S196-Q198 VanDerWaalsContact C-N 3.3Å; S196-Q198 PolarHBondContact O-N 3.29Å; S196-K199 PolarHBondContact O-N 3.39Å; S196-L200 WeakPolarHBondContact O-CG 3.49Å; S196-L200 PolarHBondContact O-N 3.39Å |
| 197 | I | 69.9 | Low | 69.9 | Low | 25 Ų | 25 | 81.1 Ų | 81.1 | 13% | 0.128 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -60.8 | -41.3 | 174.1 | -66.8 | 169 | 0 | 0 | 0 | 110.7 | I179 I193 S194 L200 R201 F209 | I179-I197 HydrophobicContact CD1-CD1 4.39Å; I179-I197 HydrophobicContact CG1-CD1 4.07Å; I193-I197 HydrophobicContact CG2-CD1 3.85Å; I193-I197 HydrophobicContact CG2-CG1 4.42Å; I193-I197 WeakPolarHBondContact O-CG1 3.42Å; I193-I197 PolarHBondContact O-N 2.68Å; S194-I197 PolarHBondContact O-N 2.72Å; I197-L200 PolarHBondContact O-N 3.27Å; I197-R201 WeakPolarHBondContact O-CG 3.26Å; I197-R201 PolarHBondContact O-N 2.85Å; I197-F209 HydrophobicContact CG2-CD2 4.21Å |
| 198 | Q | 71.1 | Confident | 70.9 | Confident | 107 Ų | 107 | 74.7 Ų | 74.7 | 50% | 0.5 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -67.5 | -38 | 178.3 | -165.8 | 66.4 | 9.8 | 0 | 0 | 112.1 | S194 Q195 S196 L200 R201 V202 | S194-Q198 WeakPolarHBondContact O-CB 3.37Å; S194-Q198 PolarHBondContact O-N 3.47Å; Q195-Q198 PolarHBondContact O-N 3.25Å; S196-Q198 VanDerWaalsContact C-N 3.3Å; S196-Q198 PolarHBondContact O-N 3.29Å; Q198-L200 VanDerWaalsContact C-N 3.34Å; Q198-R201 WeakPolarHBondContact O-CB 3.41Å; Q198-R201 PolarHBondContact O-N 3.36Å; Q198-R201 VanDerWaalsContact OE1-NH1 3.1Å; Q198-V202 WeakPolarHBondContact O-CG2 3.28Å; Q198-V202 PolarHBondContact O-N 3.36Å |
| 199 | K | 76.1 | Confident | 71.6 | Confident | 141 Ų | 141 | 73.8 Ų | 73.8 | 61% | 0.613 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -61.5 | -43.2 | 171.6 | -73.4 | 177.1 | -178.2 | -178.4 | 0 | 111.2 | Q195 S196 R201 V202 I203 | Q195-K199 WeakPolarHBondContact O-CG 3.47Å; Q195-K199 PolarHBondContact O-N 2.95Å; S196-K199 PolarHBondContact O-N 3.39Å; K199-R201 VanDerWaalsContact C-N 3.3Å; K199-R201 PolarHBondContact O-N 2.91Å; K199-V202 WeakPolarHBondContact O-CB 3.22Å; K199-V202 PolarHBondContact O-N 3.03Å; K199-V202 VanDerWaalsContact O-N 3.09Å; K199-I203 WeakPolarHBondContact O-CG1 3.37Å; K199-I203 PolarHBondContact O-N 2.92Å |
| 200 | L | 72.4 | Confident | 71.8 | Confident | 62 Ų | 62 | 73.6 Ų | 73.6 | 33% | 0.325 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.8 | -37.7 | 175.7 | -69 | 172 | 0 | 0 | 0 | 112.2 | S196 I197 Q198 V202 I203 F204 L208 | S196-L200 WeakPolarHBondContact O-CG 3.49Å; S196-L200 PolarHBondContact O-N 3.39Å; I197-L200 PolarHBondContact O-N 3.27Å; Q198-L200 VanDerWaalsContact C-N 3.34Å; L200-V202 PolarHBondContact O-N 3.23Å; L200-I203 PolarHBondContact O-N 3.15Å; L200-I203 VanDerWaalsContact O-N 3.14Å; L200-F204 HydrophobicContact CB-CD2 4.46Å; L200-F204 HydrophobicContact CD2-CD2 4.24Å; L200-F204 HydrophobicContact CD2-CE2 3.83Å; L200-F204 WeakPolarHBondContact O-CD2 3.43Å; L200-F204 PolarHBondContact O-N 2.66Å; L200-L208 HydrophobicContact CB-CD1 3.87Å; L200-L208 HydrophobicContact CD1-CD1 4.2Å; L200-L208 HydrophobicContact CD2-CD1 4.49Å; L200-L208 HydrophobicContact CG-CD1 4.42Å |
| 201 | R | 73.1 | Confident | 71.9 | Confident | 111 Ų | 111 | 81.5 Ų | 81.5 | 42% | 0.419 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.4 | -23.5 | 174.6 | -73.8 | 171.1 | 174.5 | 179.4 | -5.9 | 114.2 | I197 Q198 K199 | I197-R201 WeakPolarHBondContact O-CG 3.26Å; I197-R201 PolarHBondContact O-N 2.85Å; Q198-R201 WeakPolarHBondContact O-CB 3.41Å; Q198-R201 PolarHBondContact O-N 3.36Å; Q198-R201 VanDerWaalsContact OE1-NH1 3.1Å; K199-R201 VanDerWaalsContact C-N 3.3Å; K199-R201 PolarHBondContact O-N 2.91Å |
| 202 | V | 77 | Confident | 71.2 | Confident | 121 Ų | 121 | 85.5 Ų | 85.5 | 73% | 0.733 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -81.1 | -32 | 174.6 | 176.8 | 0 | 0 | 0 | 0 | 110.8 | Q198 K199 L200 | Q198-V202 WeakPolarHBondContact O-CG2 3.28Å; Q198-V202 PolarHBondContact O-N 3.36Å; K199-V202 WeakPolarHBondContact O-CB 3.22Å; K199-V202 PolarHBondContact O-N 3.03Å; K199-V202 VanDerWaalsContact O-N 3.09Å; L200-V202 PolarHBondContact O-N 3.23Å |
| 203 | I | 79.4 | Confident | 71 | Confident | 120 Ų | 120 | 87.9 Ų | 87.9 | 62% | 0.615 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -81.7 | -40.7 | -177 | -64.1 | 167 | 0 | 0 | 0 | 111.5 | K199 L200 | K199-I203 WeakPolarHBondContact O-CG1 3.37Å; K199-I203 PolarHBondContact O-N 2.92Å; L200-I203 PolarHBondContact O-N 3.15Å; L200-I203 VanDerWaalsContact O-N 3.14Å |
| 204 | F | 76.4 | Confident | 70.2 | Confident | 47 Ų | 47 | 97.6 Ų | 97.6 | 21% | 0.206 | 50% | 0.502 | C | S | . | . | S | Bend | trans | -101.4 | 132.7 | -175.2 | -67 | -80.2 | 0 | 0 | 0 | 111.2 | L200 D206 L208 F221 L225 | L200-F204 HydrophobicContact CB-CD2 4.46Å; L200-F204 HydrophobicContact CD2-CD2 4.24Å; L200-F204 HydrophobicContact CD2-CE2 3.83Å; L200-F204 WeakPolarHBondContact O-CD2 3.43Å; L200-F204 PolarHBondContact O-N 2.66Å; F204-D206 VanDerWaalsContact C-N 3.29Å; F204-D206 PolarHBondContact O-N 2.86Å; F204-L208 HydrophobicContact CB-CD1 4.48Å; F204-L208 HydrophobicContact CB-CD2 4.08Å; F204-L208 HydrophobicContact CB-CG 4.2Å; F204-L208 HydrophobicContact CD2-CD1 3.72Å; F204-L208 HydrophobicContact CD2-CD2 4.49Å; F204-L208 HydrophobicContact CD2-CG 4.34Å; F204-L208 HydrophobicContact CE2-CD1 4.25Å; F204-L208 HydrophobicContact CG-CD1 4.2Å; F204-L208 HydrophobicContact CG-CD2 4.15Å; F204-L208 HydrophobicContact CG-CG 4.37Å; F204-F221 HydrophobicContact CB-CE1 4.23Å; F204-F221 AromaticContact CD1-CE1 3.86Å; F204-F221 HydrophobicContact CD1-CE1 3.86Å; F204-F221 HydrophobicContact CD1-CZ 4.14Å; F204-F221 HydrophobicContact CG-CE1 4.36Å; F204-L225 HydrophobicContact CD1-CD2 3.88Å; F204-L225 HydrophobicContact CD2-CD2 4.38Å; F204-L225 HydrophobicContact CE1-CD1 3.86Å; F204-L225 HydrophobicContact CE1-CD2 3.45Å; F204-L225 VanDerWaalsContact CE1-CD2 3.45Å; F204-L225 HydrophobicContact CE1-CG 4.31Å; F204-L225 HydrophobicContact CE2-CD2 4.01Å; F204-L225 HydrophobicContact CG-CD2 4.33Å; F204-L225 HydrophobicContact CZ-CD1 4.29Å; F204-L225 HydrophobicContact CZ-CD2 3.53Å; F204-L225 HydrophobicContact CZ-CG 4.49Å |
| 205 | P | 66.2 | Low | 69.9 | Low | 122 Ų | 122 | 96.5 Ų | 96.5 | 79% | 0.792 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -68.6 | -27.5 | -174.7 | 26 | -33.5 | 0 | 0 | 0 | 113.2 | ||
| 206 | D | 65 | Low | 69.7 | Low | 89 Ų | 89 | 93 Ų | 93 | 48% | 0.476 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -101.4 | 145.5 | 177 | -82.7 | -37.5 | 0 | 0 | 0 | 112.1 | F204 L208 F221 | F204-D206 VanDerWaalsContact C-N 3.29Å; F204-D206 PolarHBondContact O-N 2.86Å; D206-L208 PolarHBondContact O-N 2.82Å; D206-F221 HydrophobicContact CB-CB 4.5Å; D206-F221 HydrophobicContact CB-CD1 3.97Å; D206-F221 HydrophobicContact CB-CG 4.32Å |
| 207 | P | 73.7 | Confident | 69.5 | Low | 66 Ų | 66 | 92 Ų | 92 | 43% | 0.429 | 48% | 0.477 | S | S | . | . | trans | -59.8 | 116.2 | 175.3 | 25.3 | -32.6 | 0 | 0 | 0 | 109.2 | F209 I210 T219 | P207-F209 VanDerWaalsContact C-N 3.3Å; P207-I210 HydrophobicContact CB-CG2 4.26Å; P207-I210 HydrophobicContact CG-CG2 4.34Å; P207-T219 WeakPolarHBondContact O-CB 3.5Å; P207-T219 WeakPolarHBondContact O-CG2 3.34Å; P207-T219 PolarHBondContact O-OG1 2.8Å | ||
| 208 | L | 73.3 | Confident | 69.9 | Low | 8 Ų | 8 | 93.5 Ų | 93.5 | 4% | 0.042 | 49% | 0.487 | C | S | . | . | S | Bend | trans | -69.6 | -32.2 | 175.2 | -62.8 | -173.9 | 0 | 0 | 0 | 112 | L200 F204 D206 P218 T219 F221 A222 L225 | L200-L208 HydrophobicContact CB-CD1 3.87Å; L200-L208 HydrophobicContact CD1-CD1 4.2Å; L200-L208 HydrophobicContact CD2-CD1 4.49Å; L200-L208 HydrophobicContact CG-CD1 4.42Å; F204-L208 HydrophobicContact CB-CD1 4.48Å; F204-L208 HydrophobicContact CB-CD2 4.08Å; F204-L208 HydrophobicContact CB-CG 4.2Å; F204-L208 HydrophobicContact CD2-CD1 3.72Å; F204-L208 HydrophobicContact CD2-CD2 4.49Å; F204-L208 HydrophobicContact CD2-CG 4.34Å; F204-L208 HydrophobicContact CE2-CD1 4.25Å; F204-L208 HydrophobicContact CG-CD1 4.2Å; F204-L208 HydrophobicContact CG-CD2 4.15Å; F204-L208 HydrophobicContact CG-CG 4.37Å; D206-L208 PolarHBondContact O-N 2.82Å; L208-P218 CarbonylContact O-C 3.52Å; L208-P218 VanDerWaalsContact O-CA 3.3Å; L208-P218 WeakPolarHBondContact O-CA 3.25Å; L208-T219 PolarHBondContact O-N 2.81Å; L208-T219 PolarHBondContact O-OG1 3.22Å; L208-F221 HydrophobicContact CD2-CD1 3.59Å; L208-F221 HydrophobicContact CD2-CE1 3.76Å; L208-A222 HydrophobicContact CB-CB 3.91Å; L208-A222 HydrophobicContact CD2-CB 4.01Å; L208-A222 WeakPolarHBondContact O-CB 3.1Å; L208-L225 HydrophobicContact CD1-CD2 4.23Å; L208-L225 HydrophobicContact CD2-CD2 3.88Å |
| 209 | F | 77.8 | Confident | 70.4 | Confident | 62 Ų | 62 | 89.5 Ų | 89.5 | 27% | 0.272 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 127.9 | -177.5 | -57.1 | -83.9 | 0 | 0 | 0 | 110.8 | I197 P207 V216 T217 P218 | I197-F209 HydrophobicContact CG2-CD2 4.21Å; P207-F209 VanDerWaalsContact C-N 3.3Å; F209-V216 HydrophobicContact CB-CG1 4.21Å; F209-T217 WeakPolarHBondContact CA-O 3.13Å; F209-P218 HydrophobicContact CD1-CB 4.2Å; F209-P218 HydrophobicContact CE1-CB 4.12Å |
| 210 | I | 74.9 | Confident | 70.5 | Confident | 82 Ų | 82 | 86.7 Ų | 86.7 | 42% | 0.421 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 151.3 | 176.2 | 57.4 | 173.7 | 0 | 0 | 0 | 110.4 | P207 V216 T217 T219 | P207-I210 HydrophobicContact CB-CG2 4.26Å; P207-I210 HydrophobicContact CG-CG2 4.34Å; I210-V216 CarbonylContact O-C 3.49Å; I210-V216 WeakPolarHBondContact O-CA 2.98Å; I210-T217 WeakPolarHBondContact CG1-OG1 3.4Å; I210-T217 PolarHBondContact N-O 2.78Å; I210-T217 PolarHBondContact O-N 2.79Å; I210-T219 HydrophobicContact CD1-CG2 4.41Å; I210-T219 HydrophobicContact CG1-CG2 4.21Å; I210-T219 HydrophobicContact CG2-CG2 3.7Å |
| 211 | R | 66.3 | Low | 70.9 | Confident | 219 Ų | 219 | 87.4 Ų | 87.4 | 83% | 0.826 | 47% | 0.474 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 131.5 | 173.7 | -76.9 | -171.2 | 176.7 | -160.5 | 0.4 | 109.8 | G215 | R211-G215 WeakPolarHBondContact CA-O 3.36Å |
| 212 | K | 58.7 | Low | 71.2 | Confident | 155 Ų | 155 | 82.5 Ų | 82.5 | 67% | 0.674 | 46% | 0.458 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 108.9 | 170 | -164.1 | 179.9 | -179.2 | -175.2 | 0 | 107.6 | G215 T217 | K212-G215 PolarHBondContact N-O 2.82Å; K212-G215 VanDerWaalsContact N-O 3.12Å; K212-G215 PolarHBondContact O-N 2.82Å; K212-G215 VanDerWaalsContact O-N 3.13Å; K212-T217 HydrophobicContact CB-CG2 3.82Å; K212-T217 HydrophobicContact CD-CG2 4.14Å |
| 213 | G | 62.2 | Low | 71.4 | Confident | 77 Ų | 77 | 82.2 Ų | 82.2 | 79% | 0.794 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.5 | -131.7 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | G215 | G213-G215 VanDerWaalsContact C-N 3.27Š|
| 214 | Q | 51.2 | Low | 71.1 | Confident | 216 Ų | 216 | 81.2 Ų | 81.2 | 100% | 1.009 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -0.6 | 174.4 | -66.9 | -157.8 | -11.9 | 0 | 0 | 113.9 | ||
| 215 | G | 59.9 | Low | 71.2 | Confident | 25 Ų | 25 | 80.5 Ų | 80.5 | 26% | 0.258 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 179.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | R211 K212 G213 | R211-G215 WeakPolarHBondContact CA-O 3.36Å; K212-G215 PolarHBondContact N-O 2.82Å; K212-G215 VanDerWaalsContact N-O 3.12Å; K212-G215 PolarHBondContact O-N 2.82Å; K212-G215 VanDerWaalsContact O-N 3.13Å; G213-G215 VanDerWaalsContact C-N 3.27Å |
| 216 | V | 67.8 | Low | 71.7 | Confident | 42 Ų | 42 | 80.7 Ų | 80.7 | 26% | 0.255 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 134.6 | 169.6 | -107.5 | 0 | 0 | 0 | 0 | 108 | I179 F209 I210 | I179-V216 HydrophobicContact CG1-CG2 4.42Å; F209-V216 HydrophobicContact CB-CG1 4.21Å; I210-V216 CarbonylContact O-C 3.49Å; I210-V216 WeakPolarHBondContact O-CA 2.98Å |
| 217 | T | 67.1 | Low | 72.1 | Confident | 36 Ų | 36 | 82.6 Ų | 82.6 | 22% | 0.221 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 141.4 | 178.5 | 59.4 | 0 | 0 | 0 | 0 | 109.9 | F209 I210 K212 | F209-T217 WeakPolarHBondContact CA-O 3.13Å; I210-T217 WeakPolarHBondContact CG1-OG1 3.4Å; I210-T217 PolarHBondContact N-O 2.78Å; I210-T217 PolarHBondContact O-N 2.79Å; K212-T217 HydrophobicContact CB-CG2 3.82Å; K212-T217 HydrophobicContact CD-CG2 4.14Å |
| 218 | P | 79.1 | Confident | 71.9 | Confident | 55 Ų | 55 | 87 Ų | 87 | 36% | 0.357 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 149 | 174.9 | 28.8 | -33.7 | 0 | 0 | 0 | 111 | L208 F209 A222 M223 | L208-P218 CarbonylContact O-C 3.52Å; L208-P218 VanDerWaalsContact O-CA 3.3Å; L208-P218 WeakPolarHBondContact O-CA 3.25Å; F209-P218 HydrophobicContact CD1-CB 4.2Å; F209-P218 HydrophobicContact CE1-CB 4.12Å; P218-A222 HydrophobicContact CB-CB 3.97Å; P218-M223 HydrophobicContact CB-CG 4.27Å; P218-M223 HydrophobicContact CG-CG 4.23Å |
| 219 | T | 81.7 | Confident | 72.1 | Confident | 24 Ų | 24 | 90.1 Ų | 90.1 | 15% | 0.147 | 46% | 0.461 | C | S | . | . | trans | -82.1 | 168 | 168.3 | 57.8 | 0 | 0 | 0 | 0 | 111.3 | P207 L208 I210 F221 A222 M223 | P207-T219 WeakPolarHBondContact O-CB 3.5Å; P207-T219 WeakPolarHBondContact O-CG2 3.34Å; P207-T219 PolarHBondContact O-OG1 2.8Å; L208-T219 PolarHBondContact O-N 2.81Å; L208-T219 PolarHBondContact O-OG1 3.22Å; I210-T219 HydrophobicContact CD1-CG2 4.41Å; I210-T219 HydrophobicContact CG1-CG2 4.21Å; I210-T219 HydrophobicContact CG2-CG2 3.7Å; T219-F221 PolarHBondContact O-N 2.75Å; T219-A222 WeakPolarHBondContact O-CB 3.44Å; T219-A222 PolarHBondContact O-N 3.37Å; T219-A222 PolarHBondContact OG1-N 2.98Å; T219-M223 WeakPolarHBondContact O-CG 3.35Å; T219-M223 PolarHBondContact O-N 2.83Å | ||
| 220 | A | 77.9 | Confident | 71.8 | Confident | 82 Ų | 82 | 88.5 Ų | 88.5 | 68% | 0.678 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -57 | -40.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A222 M223 H224 | A220-A222 PolarHBondContact O-N 3.4Å; A220-M223 PolarHBondContact O-N 2.93Å; A220-H224 PolarHBondContact O-N 2.81Å |
| 221 | F | 81.2 | Confident | 71.4 | Confident | 76 Ų | 76 | 91.2 Ų | 91.2 | 33% | 0.333 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.5 | -42.1 | 174.3 | -179.3 | -107.8 | 0 | 0 | 0 | 111.9 | F204 D206 L208 T219 H224 L225 | F204-F221 HydrophobicContact CB-CE1 4.23Å; F204-F221 AromaticContact CD1-CE1 3.86Å; F204-F221 HydrophobicContact CD1-CE1 3.86Å; F204-F221 HydrophobicContact CD1-CZ 4.14Å; F204-F221 HydrophobicContact CG-CE1 4.36Å; D206-F221 HydrophobicContact CB-CB 4.5Å; D206-F221 HydrophobicContact CB-CD1 3.97Å; D206-F221 HydrophobicContact CB-CG 4.32Å; L208-F221 HydrophobicContact CD2-CD1 3.59Å; L208-F221 HydrophobicContact CD2-CE1 3.76Å; T219-F221 PolarHBondContact O-N 2.75Å; F221-H224 PolarHBondContact O-N 2.73Å; F221-L225 VanDerWaalsContact O-CB 3.24Å; F221-L225 WeakPolarHBondContact O-CB 3.4Å; F221-L225 PolarHBondContact O-N 3.1Å |
| 222 | A | 79.3 | Confident | 71.6 | Confident | 9 Ų | 9 | 82.5 Ų | 82.5 | 7% | 0.074 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -66.5 | -36.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L208 P218 T219 A220 L225 H226 | L208-A222 HydrophobicContact CB-CB 3.91Å; L208-A222 HydrophobicContact CD2-CB 4.01Å; L208-A222 WeakPolarHBondContact O-CB 3.1Å; P218-A222 HydrophobicContact CB-CB 3.97Å; T219-A222 WeakPolarHBondContact O-CB 3.44Å; T219-A222 PolarHBondContact O-N 3.37Å; T219-A222 PolarHBondContact OG1-N 2.98Å; A220-A222 PolarHBondContact O-N 3.4Å; A222-L225 PolarHBondContact O-N 2.85Å; A222-H226 WeakPolarHBondContact O-CB 3.25Å; A222-H226 PolarHBondContact O-N 3.32Å |
| 223 | M | 79.5 | Confident | 72.3 | Confident | 114 Ų | 114 | 79.3 Ų | 79.3 | 56% | 0.562 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -62.5 | -47.7 | 174.7 | -69.7 | -179.1 | 64.4 | 0 | 0 | 111 | P218 T219 A220 H226 E227 | P218-M223 HydrophobicContact CB-CG 4.27Å; P218-M223 HydrophobicContact CG-CG 4.23Å; T219-M223 WeakPolarHBondContact O-CG 3.35Å; T219-M223 PolarHBondContact O-N 2.83Å; A220-M223 PolarHBondContact O-N 2.93Å; M223-H226 WeakPolarHBondContact O-CB 3.48Å; M223-H226 PolarHBondContact O-N 2.85Å; M223-E227 PolarHBondContact O-N 3.29Å |
| 224 | H | 74.7 | Confident | 72.6 | Confident | 99 Ų | 99 | 82 Ų | 82 | 46% | 0.458 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.6 | -43 | 176.6 | -174.2 | -93.7 | 0 | 0 | 0 | 111.9 | A220 F221 H226 E227 Y228 | A220-H224 PolarHBondContact O-N 2.81Å; F221-H224 PolarHBondContact O-N 2.73Å; H224-H226 VanDerWaalsContact C-N 3.27Å; H224-H226 PolarHBondContact O-N 3.23Å; H224-E227 PolarHBondContact O-N 2.83Å; H224-Y228 AromaticContact CE1-CD2 3.57Å; H224-Y228 AromaticContact CE1-CE2 3.13Å; H224-Y228 WeakPolarHBondContact CE1-CE2 3.48Å; H224-Y228 AromaticContact ND1-CD2 3.82Å; H224-Y228 AromaticContact ND1-CE2 3.86Å; H224-Y228 AromaticContact NE2-CE2 3.36Å; H224-Y228 WeakPolarHBondContact NE2-CE2 3.02Å; H224-Y228 WeakPolarHBondContact O-CD2 3.39Å; H224-Y228 PolarHBondContact O-N 3.38Å |
| 225 | L | 78.5 | Confident | 73.4 | Confident | 32 Ų | 32 | 75.6 Ų | 75.6 | 17% | 0.168 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -60.5 | -38.1 | 176.4 | -174.8 | 67.1 | 0 | 0 | 0 | 112 | F204 L208 F221 A222 Y228 I229 | F204-L225 HydrophobicContact CD1-CD2 3.88Å; F204-L225 HydrophobicContact CD2-CD2 4.38Å; F204-L225 HydrophobicContact CE1-CD1 3.86Å; F204-L225 HydrophobicContact CE1-CD2 3.45Å; F204-L225 VanDerWaalsContact CE1-CD2 3.45Å; F204-L225 HydrophobicContact CE1-CG 4.31Å; F204-L225 HydrophobicContact CE2-CD2 4.01Å; F204-L225 HydrophobicContact CG-CD2 4.33Å; F204-L225 HydrophobicContact CZ-CD1 4.29Å; F204-L225 HydrophobicContact CZ-CD2 3.53Å; F204-L225 HydrophobicContact CZ-CG 4.49Å; L208-L225 HydrophobicContact CD1-CD2 4.23Å; L208-L225 HydrophobicContact CD2-CD2 3.88Å; F221-L225 VanDerWaalsContact O-CB 3.24Å; F221-L225 WeakPolarHBondContact O-CB 3.4Å; F221-L225 PolarHBondContact O-N 3.1Å; A222-L225 PolarHBondContact O-N 2.85Å; L225-Y228 PolarHBondContact O-N 3.02Å; L225-I229 HydrophobicContact CD1-CD1 3.62Å; L225-I229 HydrophobicContact CD1-CG1 3.98Å; L225-I229 HydrophobicContact CD2-CD1 4.05Å; L225-I229 HydrophobicContact CG-CD1 3.57Å; L225-I229 HydrophobicContact CG-CG1 4.15Å; L225-I229 WeakPolarHBondContact O-CB 3.39Å; L225-I229 WeakPolarHBondContact O-CG1 3.42Å; L225-I229 PolarHBondContact O-N 3.29Å |
| 226 | H | 76.6 | Confident | 73.8 | Confident | 127 Ų | 127 | 79 Ų | 79 | 59% | 0.588 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -61.7 | -45.5 | 176.4 | 177.1 | 63.7 | 0 | 0 | 0 | 111.8 | A222 M223 H224 Y228 I229 S230 | A222-H226 WeakPolarHBondContact O-CB 3.25Å; A222-H226 PolarHBondContact O-N 3.32Å; M223-H226 WeakPolarHBondContact O-CB 3.48Å; M223-H226 PolarHBondContact O-N 2.85Å; H224-H226 VanDerWaalsContact C-N 3.27Å; H224-H226 PolarHBondContact O-N 3.23Å; H226-Y228 VanDerWaalsContact C-N 3.3Å; H226-Y228 PolarHBondContact O-N 2.98Å; H226-I229 PolarHBondContact O-N 2.95Å; H226-S230 PolarHBondContact CE1-OG 3.19Å; H226-S230 PolarHBondContact ND1-OG 2.94Å; H226-S230 VanDerWaalsContact O-CB 3.25Å; H226-S230 WeakPolarHBondContact O-CB 3.33Å; H226-S230 PolarHBondContact O-N 2.99Å; H226-S230 PolarHBondContact O-OG 3.48Å |
| 227 | E | 72.5 | Confident | 73.7 | Confident | 129 Ų | 129 | 82.2 Ų | 82.2 | 60% | 0.603 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -57.4 | -43.4 | 177.1 | -72.5 | 177 | -178.9 | 0 | 0 | 112 | M223 H224 | M223-E227 PolarHBondContact O-N 3.29Å; H224-E227 PolarHBondContact O-N 2.83Å |
| 228 | Y | 70.5 | Confident | 73.5 | Confident | 159 Ų | 159 | 81 Ų | 81 | 62% | 0.624 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -71.3 | -44.2 | 179 | -86.3 | -91.1 | 0 | 0 | 0 | 113.5 | H224 L225 H226 | H224-Y228 AromaticContact CE1-CD2 3.57Å; H224-Y228 AromaticContact CE1-CE2 3.13Å; H224-Y228 WeakPolarHBondContact CE1-CE2 3.48Å; H224-Y228 AromaticContact ND1-CD2 3.82Å; H224-Y228 AromaticContact ND1-CE2 3.86Å; H224-Y228 AromaticContact NE2-CE2 3.36Å; H224-Y228 WeakPolarHBondContact NE2-CE2 3.02Å; H224-Y228 WeakPolarHBondContact O-CD2 3.39Å; H224-Y228 PolarHBondContact O-N 3.38Å; L225-Y228 PolarHBondContact O-N 3.02Å; H226-Y228 VanDerWaalsContact C-N 3.3Å; H226-Y228 PolarHBondContact O-N 2.98Å |
| 229 | I | 76.1 | Confident | 72.8 | Confident | 72 Ų | 72 | 81.4 Ų | 81.4 | 37% | 0.369 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -74.3 | -33.8 | -175.8 | -68.1 | -177.6 | 0 | 0 | 0 | 111.4 | L225 H226 Q231 G232 L233 | L225-I229 HydrophobicContact CD1-CD1 3.62Å; L225-I229 HydrophobicContact CD1-CG1 3.98Å; L225-I229 HydrophobicContact CD2-CD1 4.05Å; L225-I229 HydrophobicContact CG-CD1 3.57Å; L225-I229 HydrophobicContact CG-CG1 4.15Å; L225-I229 WeakPolarHBondContact O-CB 3.39Å; L225-I229 WeakPolarHBondContact O-CG1 3.42Å; L225-I229 PolarHBondContact O-N 3.29Å; H226-I229 PolarHBondContact O-N 2.95Å; I229-Q231 VanDerWaalsContact C-N 3.31Å; I229-Q231 PolarHBondContact O-N 3.5Å; I229-G232 PolarHBondContact O-N 3.07Å; I229-G232 VanDerWaalsContact O-N 3.1Å; I229-L233 HydrophobicContact CG2-CD1 3.53Å; I229-L233 HydrophobicContact CG2-CG 3.66Å; I229-L233 PolarHBondContact O-N 2.99Å |
| 230 | S | 72.6 | Confident | 72 | Confident | 29 Ų | 29 | 86 Ų | 86 | 20% | 0.203 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -57.6 | -42.3 | -177.2 | -70.4 | 0 | 0 | 0 | 0 | 112.4 | H226 G232 L233 E234 | H226-S230 PolarHBondContact CE1-OG 3.19Å; H226-S230 PolarHBondContact ND1-OG 2.94Å; H226-S230 VanDerWaalsContact O-CB 3.25Å; H226-S230 WeakPolarHBondContact O-CB 3.33Å; H226-S230 PolarHBondContact O-N 2.99Å; H226-S230 PolarHBondContact O-OG 3.48Å; S230-G232 VanDerWaalsContact C-N 3.34Å; S230-G232 PolarHBondContact O-N 3.46Å; S230-L233 PolarHBondContact O-N 3.16Å; S230-E234 WeakPolarHBondContact O-CB 3.35Å; S230-E234 WeakPolarHBondContact O-CG 3.24Å; S230-E234 PolarHBondContact O-N 2.73Å |
| 231 | Q | 66.6 | Low | 71.2 | Confident | 138 Ų | 138 | 85.8 Ų | 85.8 | 65% | 0.645 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -61.9 | -41 | 176.8 | -65.9 | 179.9 | -3 | 0 | 0 | 112.6 | I229 S235 | I229-Q231 VanDerWaalsContact C-N 3.31Å; I229-Q231 PolarHBondContact O-N 3.5Å; Q231-S235 PolarHBondContact O-N 3.39Å; Q231-S235 VanDerWaalsContact O-N 3.17Å; Q231-S235 PolarHBondContact O-OG 3.01Å |
| 232 | G | 70.7 | Confident | 70 | Confident | 37 Ų | 37 | 89.9 Ų | 89.9 | 38% | 0.381 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -68.7 | -41.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | I229 S230 S235 I236 | I229-G232 PolarHBondContact O-N 3.07Å; I229-G232 VanDerWaalsContact O-N 3.1Å; S230-G232 VanDerWaalsContact C-N 3.34Å; S230-G232 PolarHBondContact O-N 3.46Å; G232-S235 WeakPolarHBondContact O-CB 2.8Å; G232-S235 PolarHBondContact O-N 2.98Å; G232-I236 WeakPolarHBondContact O-CG1 3.33Å; G232-I236 PolarHBondContact O-N 3.17Å; G232-I236 VanDerWaalsContact O-N 3.1Å |
| 233 | L | 73.5 | Confident | 68.8 | Low | 88 Ų | 88 | 98.4 Ų | 98.4 | 46% | 0.461 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.8 | -40.2 | 176.1 | -74.3 | 178.6 | 0 | 0 | 0 | 111.9 | I229 S230 S235 I236 L237 | I229-L233 HydrophobicContact CG2-CD1 3.53Å; I229-L233 HydrophobicContact CG2-CG 3.66Å; I229-L233 PolarHBondContact O-N 2.99Å; S230-L233 PolarHBondContact O-N 3.16Å; L233-S235 VanDerWaalsContact C-N 3.26Å; L233-S235 PolarHBondContact O-N 3.1Å; L233-I236 CarbonylContact O-C 3.54Å; L233-I236 PolarHBondContact O-N 3.49Å; L233-I236 VanDerWaalsContact O-N 3.16Å; L233-L237 VanDerWaalsContact O-CB 3.3Å; L233-L237 WeakPolarHBondContact O-CB 3.41Å; L233-L237 VanDerWaalsContact O-CG 3.24Å; L233-L237 WeakPolarHBondContact O-CG 3.3Å; L233-L237 PolarHBondContact O-N 3.5Å |
| 234 | E | 67.5 | Low | 67.4 | Low | 133 Ų | 133 | 94.2 Ų | 94.2 | 62% | 0.621 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -59.7 | -38.9 | 173.8 | -79.2 | 174.9 | -178.3 | 0 | 0 | 111.4 | S230 I236 L237 G238 | S230-E234 WeakPolarHBondContact O-CB 3.35Å; S230-E234 WeakPolarHBondContact O-CG 3.24Å; S230-E234 PolarHBondContact O-N 2.73Å; E234-I236 PolarHBondContact O-N 2.78Å; E234-L237 PolarHBondContact O-N 2.8Å; E234-G238 PolarHBondContact O-N 2.95Å |
| 235 | S | 68.8 | Low | 66.2 | Low | 81 Ų | 81 | 95.6 Ų | 95.6 | 57% | 0.566 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.7 | -37.9 | 175.4 | -60.9 | 0 | 0 | 0 | 0 | 112.7 | Q231 G232 L233 A239 | Q231-S235 PolarHBondContact O-N 3.39Å; Q231-S235 VanDerWaalsContact O-N 3.17Å; Q231-S235 PolarHBondContact O-OG 3.01Å; G232-S235 WeakPolarHBondContact O-CB 2.8Å; G232-S235 PolarHBondContact O-N 2.98Å; L233-S235 VanDerWaalsContact C-N 3.26Å; L233-S235 PolarHBondContact O-N 3.1Å; S235-A239 WeakPolarHBondContact O-CB 3.4Å; S235-A239 PolarHBondContact O-N 3.32Å |
| 236 | I | 68.7 | Low | 64.7 | Low | 97 Ų | 97 | 101.1 Ų | 101.1 | 50% | 0.497 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -72 | -46.5 | 175.6 | -66.7 | 166.9 | 0 | 0 | 0 | 110.5 | G232 L233 E234 G238 A239 L240 | G232-I236 WeakPolarHBondContact O-CG1 3.33Å; G232-I236 PolarHBondContact O-N 3.17Å; G232-I236 VanDerWaalsContact O-N 3.1Å; L233-I236 CarbonylContact O-C 3.54Å; L233-I236 PolarHBondContact O-N 3.49Å; L233-I236 VanDerWaalsContact O-N 3.16Å; E234-I236 PolarHBondContact O-N 2.78Å; I236-G238 PolarHBondContact O-N 3.22Å; I236-A239 CarbonylContact O-C 3.54Å; I236-A239 WeakPolarHBondContact O-CA 3.46Å; I236-A239 WeakPolarHBondContact O-CB 3.45Å; I236-A239 PolarHBondContact O-N 3.02Å; I236-L240 HydrophobicContact CG2-CD1 3.93Å; I236-L240 HydrophobicContact CG2-CG 4.42Å; I236-L240 WeakPolarHBondContact O-CG 3.37Å; I236-L240 PolarHBondContact O-N 3.29Å |
| 237 | L | 64.3 | Low | 63.4 | Low | 110 Ų | 110 | 102.2 Ų | 102.2 | 58% | 0.576 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -60.9 | -45.4 | 177.6 | -73 | 170.4 | 0 | 0 | 0 | 110.4 | L233 E234 A239 L240 D241 | L233-L237 VanDerWaalsContact O-CB 3.3Å; L233-L237 WeakPolarHBondContact O-CB 3.41Å; L233-L237 VanDerWaalsContact O-CG 3.24Å; L233-L237 WeakPolarHBondContact O-CG 3.3Å; L233-L237 PolarHBondContact O-N 3.5Å; E234-L237 PolarHBondContact O-N 2.8Å; L237-A239 PolarHBondContact O-N 3.48Å; L237-L240 CarbonylContact O-C 3.56Å; L237-L240 WeakPolarHBondContact O-CA 3.49Å; L237-L240 PolarHBondContact O-N 2.9Å; L237-D241 WeakPolarHBondContact O-CB 3.49Å; L237-D241 PolarHBondContact O-N 2.98Å |
| 238 | G | 64.1 | Low | 62.7 | Low | 10 Ų | 10 | 101.6 Ų | 101.6 | 10% | 0.103 | 54% | 0.541 | C | S | . | . | H | α-helix | trans | -69.2 | -14 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114 | E234 I236 | E234-G238 PolarHBondContact O-N 2.95Å; I236-G238 PolarHBondContact O-N 3.22Å |
| 239 | A | 63.8 | Low | 62.6 | Low | 63 Ų | 63 | 100.2 Ų | 100.2 | 52% | 0.521 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -85.3 | -24.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | S235 I236 L237 | S235-A239 WeakPolarHBondContact O-CB 3.4Å; S235-A239 PolarHBondContact O-N 3.32Å; I236-A239 CarbonylContact O-C 3.54Å; I236-A239 WeakPolarHBondContact O-CA 3.46Å; I236-A239 WeakPolarHBondContact O-CB 3.45Å; I236-A239 PolarHBondContact O-N 3.02Å; L237-A239 PolarHBondContact O-N 3.48Å |
| 240 | L | 63.9 | Low | 62.9 | Low | 121 Ų | 121 | 99 Ų | 99 | 63% | 0.634 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -89.8 | -17.5 | 176.3 | -67.2 | 171.5 | 0 | 0 | 0 | 112.5 | I236 L237 I242 | I236-L240 HydrophobicContact CG2-CD1 3.93Å; I236-L240 HydrophobicContact CG2-CG 4.42Å; I236-L240 WeakPolarHBondContact O-CG 3.37Å; I236-L240 PolarHBondContact O-N 3.29Å; L237-L240 CarbonylContact O-C 3.56Å; L237-L240 WeakPolarHBondContact O-CA 3.49Å; L237-L240 PolarHBondContact O-N 2.9Å; L240-I242 PolarHBondContact O-N 2.66Å; L240-I242 VanDerWaalsContact O-N 3.08Å |
| 241 | D | 61.6 | Low | 63.7 | Low | 77 Ų | 77 | 100.6 Ų | 100.6 | 41% | 0.412 | 54% | 0.54 | S | S | . | . | trans | -73.5 | 96.4 | 173.7 | -170.2 | 3.2 | 0 | 0 | 0 | 109.6 | L237 E243 G244 | L237-D241 WeakPolarHBondContact O-CB 3.49Å; L237-D241 PolarHBondContact O-N 2.98Å; D241-E243 VanDerWaalsContact C-N 3.32Å; D241-E243 PolarHBondContact OD1-N 3.06Å; D241-G244 VanDerWaalsContact CG-N 3.32Å; D241-G244 PolarHBondContact OD1-N 3.08Å; D241-G244 WeakPolarHBondContact OD2-CA 3.34Å | ||
| 242 | I | 56.2 | Low | 65 | Low | 162 Ų | 162 | 94 Ų | 94 | 83% | 0.831 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -76.6 | -24.1 | 179.9 | -60.5 | 162.9 | 0 | 0 | 0 | 110.8 | L240 | L240-I242 PolarHBondContact O-N 2.66Å; L240-I242 VanDerWaalsContact O-N 3.08Å |
| 243 | E | 53.9 | Low | 66.3 | Low | 189 Ų | 189 | 93.3 Ų | 93.3 | 88% | 0.883 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -88.3 | -26.7 | 179.6 | -66.9 | -175.8 | 177.9 | 0 | 0 | 112 | D241 S245 | D241-E243 VanDerWaalsContact C-N 3.32Å; D241-E243 PolarHBondContact OD1-N 3.06Å; E243-S245 PolarHBondContact O-N 2.75Å |
| 244 | G | 49.7 | Very low | 67.5 | Low | 25 Ų | 25 | 89.2 Ų | 89.2 | 26% | 0.258 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -58.7 | 126.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | D241 Y246 | D241-G244 VanDerWaalsContact CG-N 3.32Å; D241-G244 PolarHBondContact OD1-N 3.08Å; D241-G244 WeakPolarHBondContact OD2-CA 3.34Å; G244-Y246 PolarHBondContact O-N 3.37Å |
| 245 | S | 49.7 | Very low | 69 | Low | 128 Ų | 128 | 82.9 Ų | 82.9 | 90% | 0.895 | 45% | 0.447 | S | S | * | . | trans | -66.2 | 44.2 | 171.4 | 171.2 | 0 | 0 | 0 | 0 | 112.6 | E243 D247 | E243-S245 PolarHBondContact O-N 2.75Å; S245-D247 PolarHBondContact O-N 2.73Å | ||
| 246 | Y | 47.9 | Very low | 70.3 | Confident | 149 Ų | 149 | 79.2 Ų | 79.2 | 58% | 0.584 | 42% | 0.421 | S | S | * | . | trans | -73.9 | 126.6 | 169.7 | -80 | -79.8 | 0 | 0 | 0 | 108.7 | G244 K248 | G244-Y246 PolarHBondContact O-N 3.37Å; Y246-K248 PolarHBondContact O-N 3.44Å | ||
| 247 | D | 48.6 | Very low | 71.4 | Confident | 149 Ų | 149 | 76.7 Ų | 76.7 | 80% | 0.797 | 41% | 0.41 | S | S | * | . | trans | -67.5 | 44.2 | -178.9 | -162.8 | 17.2 | 0 | 0 | 0 | 112.9 | S245 | S245-D247 PolarHBondContact O-N 2.73Š| ||
| 248 | K | 57.7 | Low | 72.7 | Confident | 116 Ų | 116 | 75.8 Ų | 75.8 | 50% | 0.504 | 41% | 0.411 | S | S | . | . | trans | -87.4 | 141.2 | -178.6 | -74.5 | -174.7 | 180 | 168.8 | 0 | 110.6 | Y246 R250 | Y246-K248 PolarHBondContact O-N 3.44Å; K248-R250 PolarHBondContact O-N 3.34Å | ||
| 249 | Q | 68.3 | Low | 74.1 | Confident | 130 Ų | 130 | 76 Ų | 76 | 61% | 0.607 | 41% | 0.41 | S | S | * | . | trans | -61.3 | 92.5 | 170.9 | -70.5 | 179.9 | -25.7 | 0 | 0 | 110.5 | L280 | Q249-L280 HydrophobicContact CB-CD1 3.99Å; Q249-L280 HydrophobicContact CB-CG 4.09Å | ||
| 250 | R | 81.8 | Confident | 75.6 | Confident | 47 Ų | 47 | 73.1 Ų | 73.1 | 18% | 0.177 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 131.5 | 168.9 | -177.5 | -91.4 | -163.1 | -116.1 | 1.9 | 108.9 | K248 I252 L279 L280 D299 D436 | K248-R250 PolarHBondContact O-N 3.34Å; R250-I252 VanDerWaalsContact NE-CD1 3.27Å; R250-I252 VanDerWaalsContact NH1-CD1 3.27Å; R250-L279 HydrophobicContact CB-CD2 3.62Å; R250-L279 HydrophobicContact CG-CD2 4.32Å; R250-L279 WeakPolarHBondContact O-CA 3.38Å; R250-L279 WeakPolarHBondContact O-CD2 3.23Å; R250-L280 PolarHBondContact O-N 3.25Å; R250-D299 IonicContact CZ-OD1 3.01Å; R250-D299 IonicContact CZ-OD2 3.49Å; R250-D299 VanDerWaalsContact NH1-CG 3.26Å; R250-D299 IonicContact NH1-OD1 3.18Å; R250-D299 PolarHBondContact NH1-OD1 2.92Å; R250-D299 VanDerWaalsContact NH1-OD1 3.1Å; R250-D299 IonicContact NH1-OD2 3.56Å; R250-D299 PolarHBondContact NH1-OD2 2.75Å; R250-D299 IonicContact NH2-OD1 2.98Å; R250-D299 PolarHBondContact NH2-OD1 3.47Å; R250-D299 IonicContact NH2-OD2 3.76Å; R250-D436 IonicContact CZ-OD2 2.84Å; R250-D436 IonicContact NE-OD2 3.42Å; R250-D436 PolarHBondContact NE-OD2 3.47Å; R250-D436 IonicContact NH2-OD2 2.73Å; R250-D436 PolarHBondContact NH2-OD2 3.08Å |
| 251 | T | 90.4 | Very high | 77.2 | Confident | 63 Ų | 63 | 67.6 Ų | 67.6 | 39% | 0.387 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 121.4 | 177.3 | -60.9 | 0 | 0 | 0 | 0 | 109.4 | L280 R282 | T251-L280 CarbonylContact C-O 3.15Å; T251-L280 VanDerWaalsContact CA-O 3.27Å; T251-L280 WeakPolarHBondContact CA-O 3.33Å; T251-L280 HydrophobicContact CG2-CB 4.27Å; T251-R282 HydrophobicContact CG2-CB 4.1Å |
| 252 | I | 94.6 | Very high | 78.8 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 128.2 | 173 | -53.3 | -97.3 | 0 | 0 | 0 | 109.5 | R250 I254 L279 L280 L281 R282 D299 L300 L439 V442 | R250-I252 VanDerWaalsContact NE-CD1 3.27Å; R250-I252 VanDerWaalsContact NH1-CD1 3.27Å; I252-I254 HydrophobicContact CG2-CD1 4.3Å; I252-I254 HydrophobicContact CG2-CG1 3.88Å; I252-L279 HydrophobicContact CD1-CD1 4.39Å; I252-L279 HydrophobicContact CG1-CD1 4.04Å; I252-L280 PolarHBondContact N-O 3.41Å; I252-L281 HydrophobicContact CB-CD2 3.75Å; I252-L281 HydrophobicContact CG1-CD2 4.28Å; I252-L281 HydrophobicContact CG2-CD2 4.4Å; I252-L281 CarbonylContact O-C 3.55Å; I252-L281 WeakPolarHBondContact O-CA 3.39Å; I252-R282 PolarHBondContact O-N 3.07Å; I252-D299 WeakPolarHBondContact CA-OD2 3.38Å; I252-D299 HydrophobicContact CG2-CB 4.47Å; I252-L300 HydrophobicContact CG2-CD1 4.35Å; I252-L439 HydrophobicContact CD1-CD1 3.93Å; I252-V442 HydrophobicContact CD1-CB 4.23Å; I252-V442 HydrophobicContact CD1-CG1 4.2Å; I252-V442 HydrophobicContact CD1-CG2 3.84Å; I252-V442 HydrophobicContact CG1-CG2 4.45Å; I252-V442 HydrophobicContact CG2-CG1 4.39Å |
| 253 | T | 97.9 | Very high | 80.7 | Confident | 21 Ų | 21 | 60.5 Ų | 60.5 | 13% | 0.129 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 118.3 | 176.7 | 49.2 | 0 | 0 | 0 | 0 | 110.6 | R282 T298 D299 L300 | T253-R282 CarbonylContact C-O 3.58Å; T253-R282 WeakPolarHBondContact CA-O 3.36Å; T253-R282 HydrophobicContact CG2-CB 4.06Å; T253-R282 HydrophobicContact CG2-CG 4.46Å; T253-T298 PolarHBondContact O-OG1 3.47Å; T253-T298 WeakPolarHBondContact OG1-CA 3.27Å; T253-D299 PolarHBondContact N-OD2 3.16Å; T253-D299 WeakPolarHBondContact O-CB 3.26Å; T253-D299 PolarHBondContact O-N 3.01Å; T253-D299 PolarHBondContact OG1-N 3.27Å; T253-D299 PolarHBondContact OG1-OD2 2.97Å; T253-L300 PolarHBondContact O-N 2.9Å |
| 254 | I | 98.5 | Very high | 82.8 | Confident | 3 Ų | 3 | 51.5 Ų | 51.5 | 2% | 0.015 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 100.2 | 179.1 | -48.3 | -177.2 | 0 | 0 | 0 | 107.2 | I252 T256 L265 I268 I272 R282 N283 L300 I302 I446 | I252-I254 HydrophobicContact CG2-CD1 4.3Å; I252-I254 HydrophobicContact CG2-CG1 3.88Å; I254-T256 HydrophobicContact CG2-CG2 4.47Å; I254-L265 HydrophobicContact CB-CD2 4.35Å; I254-L265 HydrophobicContact CG2-CD2 4.11Å; I254-I268 HydrophobicContact CD1-CG2 3.65Å; I254-I272 HydrophobicContact CD1-CD1 3.99Å; I254-R282 PolarHBondContact N-O 2.99Å; I254-N283 WeakPolarHBondContact O-CA 3.42Å; I254-N283 PolarHBondContact O-ND2 2.74Å; I254-L300 WeakPolarHBondContact CA-O 3.45Å; I254-L300 HydrophobicContact CD1-CD1 4.31Å; I254-L300 HydrophobicContact CG1-CB 4.41Å; I254-L300 HydrophobicContact CG1-CD1 4.11Å; I254-L300 HydrophobicContact CG2-CB 4.29Å; I254-I302 HydrophobicContact CG2-CD1 3.79Å; I254-I302 HydrophobicContact CG2-CG1 4.13Å; I254-I446 HydrophobicContact CD1-CD1 4.16Å |
| 255 | A | 98.2 | Very high | 85.1 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 139.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | P284 I286 T298 L300 I301 I302 | A255-P284 VanDerWaalsContact CA-O 3.26Å; A255-P284 WeakPolarHBondContact CA-O 3.26Å; A255-P284 HydrophobicContact CB-CG 4.11Å; A255-P284 WeakPolarHBondContact CB-O 3.47Å; A255-I286 HydrophobicContact CB-CG1 3.87Å; A255-T298 HydrophobicContact CB-CG2 4.39Å; A255-L300 PolarHBondContact N-O 2.91Å; A255-I301 HydrophobicContact CB-CG1 4.11Å; A255-I301 HydrophobicContact CB-CG2 4.22Å; A255-I301 CarbonylContact O-C 3.54Å; A255-I301 WeakPolarHBondContact O-CA 3.48Å; A255-I301 WeakPolarHBondContact O-CG2 3.33Å; A255-I302 PolarHBondContact O-N 2.94Å |
| 256 | T | 95.9 | Very high | 87.4 | Confident | 4 Ų | 4 | 49.8 Ų | 49.8 | 3% | 0.025 | 27% | 0.266 | C | S | . | . | trans | -148.8 | 153.5 | 178.1 | 62.2 | 0 | 0 | 0 | 0 | 109.4 | I254 V260 G261 V264 L265 N283 I302 | I254-T256 HydrophobicContact CG2-CG2 4.47Å; T256-V260 HydrophobicContact CG2-CG1 4.45Å; T256-G261 WeakPolarHBondContact OG1-CA 3.49Å; T256-G261 PolarHBondContact OG1-N 2.89Å; T256-V264 HydrophobicContact CG2-CG2 4.36Å; T256-L265 HydrophobicContact CG2-CD2 4.36Å; T256-L265 HydrophobicContact CG2-CG 4.48Å; T256-N283 PolarHBondContact N-ND2 2.84Å; T256-N283 PolarHBondContact OG1-ND2 2.77Å; T256-I302 HydrophobicContact CG2-CB 4.12Å | ||
| 257 | T | 92.4 | Very high | 89.8 | Confident | 44 Ų | 44 | 45.7 Ų | 45.7 | 27% | 0.27 | 26% | 0.257 | S | S | . | . | trans | -63.8 | 155.3 | 157 | 50.3 | 0 | 0 | 0 | 0 | 110.6 | S259 V260 G261 I286 D303 | T257-S259 VanDerWaalsContact C-N 3.32Å; T257-S259 PolarHBondContact O-N 2.96Å; T257-V260 PolarHBondContact O-N 3.31Å; T257-V260 WeakPolarHBondContact OG1-CG2 3.43Å; T257-G261 PolarHBondContact O-N 2.91Å; T257-I286 HydrophobicContact CG2-CD1 4.49Å; T257-D303 WeakPolarHBondContact CB-OD2 3.44Å; T257-D303 WeakPolarHBondContact CG2-OD2 3.37Å; T257-D303 PolarHBondContact N-OD2 2.69Å; T257-D303 PolarHBondContact OG1-OD2 3.12Å | ||
| 258 | P | 92.5 | Very high | 92.2 | Very high | 91 Ų | 91 | 38.7 Ų | 38.7 | 59% | 0.591 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -56.8 | -40.7 | -173.8 | -28.9 | 36 | 0 | 0 | 0 | 114.5 | A262 L381 | P258-A262 WeakPolarHBondContact O-CB 3.44Å; P258-A262 PolarHBondContact O-N 3.42Å; P258-L381 HydrophobicContact CB-CD1 4.47Å |
| 259 | S | 92.7 | Very high | 94.2 | Very high | 13 Ų | 13 | 39.5 Ų | 39.5 | 9% | 0.091 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -70 | -44.3 | 179.5 | 48.5 | 0 | 0 | 0 | 0 | 112.5 | T257 G261 A262 L263 I380 F400 | T257-S259 VanDerWaalsContact C-N 3.32Å; T257-S259 PolarHBondContact O-N 2.96Å; S259-G261 VanDerWaalsContact C-N 3.3Å; S259-A262 PolarHBondContact O-N 3.41Å; S259-L263 PolarHBondContact O-N 3.33Å; S259-I380 VanDerWaalsContact OG-CG2 3.23Å; S259-I380 WeakPolarHBondContact OG-CG2 3.18Å; S259-F400 WeakPolarHBondContact O-CE1 3.5Å |
| 260 | V | 95.1 | Very high | 95.6 | Very high | 3 Ų | 3 | 42.4 Ų | 42.4 | 2% | 0.018 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.7 | -45.8 | 175.9 | 175.8 | 0 | 0 | 0 | 0 | 109.1 | T256 T257 A262 L263 V264 I302 F400 F425 | T256-V260 HydrophobicContact CG2-CG1 4.45Å; T257-V260 PolarHBondContact O-N 3.31Å; T257-V260 WeakPolarHBondContact OG1-CG2 3.43Å; V260-A262 PolarHBondContact O-N 3.48Å; V260-L263 WeakPolarHBondContact O-CB 3.26Å; V260-L263 PolarHBondContact O-N 3.15Å; V260-V264 HydrophobicContact CG1-CG1 4.26Å; V260-V264 HydrophobicContact CG1-CG2 4.13Å; V260-V264 WeakPolarHBondContact O-CG2 3.48Å; V260-V264 PolarHBondContact O-N 3.18Å; V260-I302 HydrophobicContact CG1-CG2 4.18Å; V260-I302 WeakPolarHBondContact CG1-O 3.26Å; V260-F400 HydrophobicContact CG2-CE1 4.4Å; V260-F400 HydrophobicContact CG2-CZ 4.05Å; V260-F425 HydrophobicContact CG1-CD1 4.4Å; V260-F425 HydrophobicContact CG2-CD1 4.05Å; V260-F425 HydrophobicContact CG2-CE1 3.63Å |
| 261 | G | 97 | Very high | 96.4 | Very high | 5 Ų | 5 | 41 Ų | 41 | 5% | 0.052 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -55.6 | -47.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | T256 T257 S259 L263 V264 L265 | T256-G261 WeakPolarHBondContact OG1-CA 3.49Å; T256-G261 PolarHBondContact OG1-N 2.89Å; T257-G261 PolarHBondContact O-N 2.91Å; S259-G261 VanDerWaalsContact C-N 3.3Å; G261-L263 PolarHBondContact O-N 2.85Å; G261-V264 PolarHBondContact O-N 3.44Å; G261-L265 WeakPolarHBondContact O-CB 3.06Å; G261-L265 WeakPolarHBondContact O-CG 3.44Å; G261-L265 PolarHBondContact O-N 2.83Å |
| 262 | A | 95.8 | Very high | 96.7 | Very high | 53 Ų | 53 | 38 Ų | 38 | 44% | 0.438 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -59.9 | -31.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | P258 S259 V260 L403 | P258-A262 WeakPolarHBondContact O-CB 3.44Å; P258-A262 PolarHBondContact O-N 3.42Å; S259-A262 PolarHBondContact O-N 3.41Å; V260-A262 PolarHBondContact O-N 3.48Å; A262-L403 HydrophobicContact CB-CD2 4.07Å |
| 263 | L | 95.8 | Very high | 96.7 | Very high | 37 Ų | 37 | 40.8 Ų | 40.8 | 19% | 0.194 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -80.1 | -45.5 | 178.5 | -177.7 | 64.3 | 0 | 0 | 0 | 112.7 | S259 V260 G261 F318 R399 F400 L403 | S259-L263 PolarHBondContact O-N 3.33Å; V260-L263 WeakPolarHBondContact O-CB 3.26Å; V260-L263 PolarHBondContact O-N 3.15Å; G261-L263 PolarHBondContact O-N 2.85Å; L263-F318 HydrophobicContact CD2-CE2 4.32Å; L263-F318 HydrophobicContact CD2-CZ 3.9Å; L263-R399 HydrophobicContact CD1-CB 4.03Å; L263-R399 HydrophobicContact CD2-CB 3.81Å; L263-F400 HydrophobicContact CB-CE1 4.46Å; L263-F400 HydrophobicContact CD2-CE1 4.18Å; L263-F400 HydrophobicContact CD2-CE2 4.06Å; L263-F400 HydrophobicContact CD2-CZ 3.86Å; L263-L403 HydrophobicContact CB-CD2 4.5Å |
| 264 | V | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -100.6 | -33.9 | -166.6 | -53.7 | 0 | 0 | 0 | 0 | 114.3 | T256 V260 G261 V267 I268 I302 F318 F450 | T256-V264 HydrophobicContact CG2-CG2 4.36Å; V260-V264 HydrophobicContact CG1-CG1 4.26Å; V260-V264 HydrophobicContact CG1-CG2 4.13Å; V260-V264 WeakPolarHBondContact O-CG2 3.48Å; V260-V264 PolarHBondContact O-N 3.18Å; G261-V264 PolarHBondContact O-N 3.44Å; V264-V267 PolarHBondContact O-N 3.36Å; V264-I268 HydrophobicContact CB-CD1 4.1Å; V264-I268 HydrophobicContact CG2-CD1 3.89Å; V264-I268 WeakPolarHBondContact O-CG1 3.49Å; V264-I268 PolarHBondContact O-N 2.9Å; V264-I302 HydrophobicContact CG2-CG2 4.19Å; V264-F318 HydrophobicContact CG1-CE1 3.8Å; V264-F318 HydrophobicContact CG1-CZ 4.12Å; V264-F450 HydrophobicContact CB-CE1 4.26Å; V264-F450 HydrophobicContact CB-CZ 3.74Å; V264-F450 HydrophobicContact CG1-CE1 4.12Å; V264-F450 HydrophobicContact CG1-CZ 4.09Å |
| 265 | L | 98.5 | Very high | 96.5 | Very high | 39 Ų | 39 | 50.5 Ų | 50.5 | 20% | 0.204 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.4 | -33.1 | -172.2 | -65.9 | 173.1 | 0 | 0 | 0 | 114.3 | I254 T256 G261 V267 I268 Y269 N283 | I254-L265 HydrophobicContact CB-CD2 4.35Å; I254-L265 HydrophobicContact CG2-CD2 4.11Å; T256-L265 HydrophobicContact CG2-CD2 4.36Å; T256-L265 HydrophobicContact CG2-CG 4.48Å; G261-L265 WeakPolarHBondContact O-CB 3.06Å; G261-L265 WeakPolarHBondContact O-CG 3.44Å; G261-L265 PolarHBondContact O-N 2.83Å; L265-V267 VanDerWaalsContact C-N 3.31Å; L265-V267 PolarHBondContact O-N 2.83Å; L265-I268 HydrophobicContact CD2-CD1 4.41Å; L265-I268 PolarHBondContact O-N 2.96Å; L265-Y269 WeakPolarHBondContact O-CB 3.49Å; L265-Y269 PolarHBondContact O-N 3.04Å; L265-N283 HydrophobicContact CD1-CB 3.97Å; L265-N283 VanDerWaalsContact CD1-CG 3.49Å |
| 266 | P | 98.4 | Very high | 96.3 | Very high | 78 Ų | 78 | 53.1 Ų | 53.1 | 51% | 0.506 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.1 | -39 | 173.7 | -26.4 | 36.2 | 0 | 0 | 0 | 113.3 | R270 | P266-R270 PolarHBondContact O-N 2.98Å |
| 267 | V | 98.3 | Very high | 96 | Very high | 64 Ų | 64 | 56.9 Ų | 56.9 | 39% | 0.388 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -68.3 | -48.8 | 177 | 179.2 | 0 | 0 | 0 | 0 | 109.8 | V264 L265 Y269 R270 A271 A449 F450 | V264-V267 PolarHBondContact O-N 3.36Å; L265-V267 VanDerWaalsContact C-N 3.31Å; L265-V267 PolarHBondContact O-N 2.83Å; V267-Y269 PolarHBondContact O-N 3.28Å; V267-R270 PolarHBondContact O-N 3.13Å; V267-A271 PolarHBondContact O-N 3.1Å; V267-A449 HydrophobicContact CG1-CB 4.11Å; V267-F450 HydrophobicContact CB-CZ 4.01Å; V267-F450 HydrophobicContact CG1-CE1 4.48Å; V267-F450 HydrophobicContact CG1-CE2 4.26Å; V267-F450 HydrophobicContact CG1-CZ 4.04Å |
| 268 | I | 98.6 | Very high | 95.9 | Very high | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.3 | -45.7 | 178.7 | -69.3 | 171.4 | 0 | 0 | 0 | 111.7 | I254 V264 L265 R270 A271 I272 I302 I446 F450 | I254-I268 HydrophobicContact CD1-CG2 3.65Å; V264-I268 HydrophobicContact CB-CD1 4.1Å; V264-I268 HydrophobicContact CG2-CD1 3.89Å; V264-I268 WeakPolarHBondContact O-CG1 3.49Å; V264-I268 PolarHBondContact O-N 2.9Å; L265-I268 HydrophobicContact CD2-CD1 4.41Å; L265-I268 PolarHBondContact O-N 2.96Å; I268-R270 VanDerWaalsContact C-N 3.32Å; I268-R270 PolarHBondContact O-N 3.49Å; I268-A271 PolarHBondContact O-N 2.71Å; I268-I272 HydrophobicContact CG2-CD1 3.53Å; I268-I272 HydrophobicContact CG2-CG1 4.17Å; I268-I272 WeakPolarHBondContact O-CB 3.4Å; I268-I272 WeakPolarHBondContact O-CG1 3.34Å; I268-I272 PolarHBondContact O-N 2.93Å; I268-I302 HydrophobicContact CD1-CD1 3.23Å; I268-I446 HydrophobicContact CD1-CG2 4.19Å; I268-I446 HydrophobicContact CG1-CG1 4.33Å; I268-I446 HydrophobicContact CG1-CG2 4.12Å; I268-I446 HydrophobicContact CG2-CD1 4.09Å; I268-I446 HydrophobicContact CG2-CG1 3.98Å; I268-F450 HydrophobicContact CD1-CE2 4.12Å; I268-F450 HydrophobicContact CD1-CZ 4.41Å; I268-F450 HydrophobicContact CG1-CE2 3.66Å; I268-F450 HydrophobicContact CG1-CZ 4.09Å |
| 269 | Y | 98.7 | Very high | 95.8 | Very high | 133 Ų | 133 | 54.2 Ų | 54.2 | 52% | 0.522 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -57.4 | -47.6 | 179 | 175 | -90.9 | 0 | 0 | 0 | 110.8 | L265 V267 K273 L281 | L265-Y269 WeakPolarHBondContact O-CB 3.49Å; L265-Y269 PolarHBondContact O-N 3.04Å; V267-Y269 PolarHBondContact O-N 3.28Å; Y269-K273 HydrophobicContact CD1-CG 4.39Å; Y269-K273 HydrophobicContact CD2-CG 4.2Å; Y269-K273 HydrophobicContact CE1-CG 4.04Å; Y269-K273 HydrophobicContact CE2-CD 4.48Å; Y269-K273 HydrophobicContact CE2-CG 3.82Å; Y269-K273 HydrophobicContact CG-CG 4.46Å; Y269-K273 VanDerWaalsContact O-CB 3.26Å; Y269-K273 WeakPolarHBondContact O-CB 3.49Å; Y269-K273 VanDerWaalsContact O-CG 3.3Å; Y269-K273 WeakPolarHBondContact O-CG 3.2Å; Y269-K273 PolarHBondContact O-N 3.36Å; Y269-L281 HydrophobicContact CD2-CD1 3.97Å |
| 270 | R | 98.6 | Very high | 95.9 | Very high | 192 Ų | 192 | 57 Ų | 57 | 73% | 0.725 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -62.1 | -49.1 | 178.5 | -174.9 | 178.6 | -69.9 | 176 | -1.6 | 110.8 | P266 V267 I268 K273 T274 | P266-R270 PolarHBondContact O-N 2.98Å; V267-R270 PolarHBondContact O-N 3.13Å; I268-R270 VanDerWaalsContact C-N 3.32Å; I268-R270 PolarHBondContact O-N 3.49Å; R270-K273 PolarHBondContact O-N 2.96Å; R270-T274 PolarHBondContact O-N 2.99Å; R270-T274 PolarHBondContact O-OG1 2.87Å |
| 271 | A | 98.4 | Very high | 95.9 | Very high | 18 Ų | 18 | 59.5 Ų | 59.5 | 15% | 0.149 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.3 | -51.6 | 180 | 0 | 0 | 0 | 0 | 0 | 111.7 | V267 I268 K273 T274 H275 V445 A449 | V267-A271 PolarHBondContact O-N 3.1Å; I268-A271 PolarHBondContact O-N 2.71Å; A271-K273 PolarHBondContact O-N 2.94Å; A271-T274 PolarHBondContact O-N 3.12Å; A271-H275 PolarHBondContact O-CD2 3.21Å; A271-H275 PolarHBondContact O-N 3.3Å; A271-V445 HydrophobicContact CB-CG1 3.72Å; A271-V445 WeakPolarHBondContact O-CG1 3.27Å; A271-A449 HydrophobicContact CB-CB 3.82Å |
| 272 | I | 96.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.5 | -45.6 | 179.9 | -65.5 | 174.3 | 0 | 0 | 0 | 111 | I254 I268 T274 H275 Y276 L279 L281 V442 V445 I446 | I254-I272 HydrophobicContact CD1-CD1 3.99Å; I268-I272 HydrophobicContact CG2-CD1 3.53Å; I268-I272 HydrophobicContact CG2-CG1 4.17Å; I268-I272 WeakPolarHBondContact O-CB 3.4Å; I268-I272 WeakPolarHBondContact O-CG1 3.34Å; I268-I272 PolarHBondContact O-N 2.93Å; I272-T274 VanDerWaalsContact C-N 3.26Å; I272-T274 PolarHBondContact O-N 2.91Å; I272-H275 PolarHBondContact O-N 2.95Å; I272-H275 VanDerWaalsContact O-N 3.12Å; I272-Y276 CarbonylContact O-C 3.58Å; I272-Y276 WeakPolarHBondContact O-CA 3.36Å; I272-Y276 PolarHBondContact O-N 3.28Å; I272-L279 HydrophobicContact CG2-CB 4.49Å; I272-L279 HydrophobicContact CG2-CD1 4.12Å; I272-L281 HydrophobicContact CB-CD1 4.36Å; I272-L281 HydrophobicContact CD1-CD1 4.07Å; I272-L281 HydrophobicContact CD1-CD2 3.95Å; I272-L281 HydrophobicContact CG2-CD1 4.42Å; I272-L281 HydrophobicContact CG2-CD2 4.2Å; I272-V442 HydrophobicContact CD1-CG1 3.73Å; I272-V442 HydrophobicContact CG1-CG1 4.16Å; I272-V445 HydrophobicContact CG1-CG1 4.45Å; I272-I446 HydrophobicContact CD1-CD1 4.19Å; I272-I446 HydrophobicContact CD1-CG1 4.26Å; I272-I446 HydrophobicContact CG1-CG1 4.39Å |
| 273 | K | 95.3 | Very high | 96.1 | Very high | 57 Ų | 57 | 67.9 Ų | 67.9 | 25% | 0.248 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -68 | -24.7 | -177.2 | -73.6 | -63.8 | -169 | 175.1 | 0 | 113.9 | Y269 R270 A271 P277 L279 | Y269-K273 HydrophobicContact CD1-CG 4.39Å; Y269-K273 HydrophobicContact CD2-CG 4.2Å; Y269-K273 HydrophobicContact CE1-CG 4.04Å; Y269-K273 HydrophobicContact CE2-CD 4.48Å; Y269-K273 HydrophobicContact CE2-CG 3.82Å; Y269-K273 HydrophobicContact CG-CG 4.46Å; Y269-K273 VanDerWaalsContact O-CB 3.26Å; Y269-K273 WeakPolarHBondContact O-CB 3.49Å; Y269-K273 VanDerWaalsContact O-CG 3.3Å; Y269-K273 WeakPolarHBondContact O-CG 3.2Å; Y269-K273 PolarHBondContact O-N 3.36Å; R270-K273 PolarHBondContact O-N 2.96Å; A271-K273 PolarHBondContact O-N 2.94Å; K273-P277 PolarHBondContact NZ-O 2.82Å; K273-L279 WeakPolarHBondContact CE-O 3.41Å; K273-L279 PolarHBondContact NZ-O 3.05Å |
| 274 | T | 97.2 | Very high | 96.1 | Very high | 106 Ų | 106 | 66.7 Ų | 66.7 | 65% | 0.65 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -67.5 | -37.5 | 171.6 | -65.5 | 0 | 0 | 0 | 0 | 112.2 | R270 A271 I272 | R270-T274 PolarHBondContact O-N 2.99Å; R270-T274 PolarHBondContact O-OG1 2.87Å; A271-T274 PolarHBondContact O-N 3.12Å; I272-T274 VanDerWaalsContact C-N 3.26Å; I272-T274 PolarHBondContact O-N 2.91Å |
| 275 | H | 94.5 | Very high | 95.9 | Very high | 122 Ų | 122 | 71.3 Ų | 71.3 | 57% | 0.565 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -96.1 | -30.9 | -176.8 | -71 | -84.9 | 0 | 0 | 0 | 114.1 | A271 I272 V445 | A271-H275 PolarHBondContact O-CD2 3.21Å; A271-H275 PolarHBondContact O-N 3.3Å; I272-H275 PolarHBondContact O-N 2.95Å; I272-H275 VanDerWaalsContact O-N 3.12Å; H275-V445 HydrophobicContact CB-CG2 3.99Å |
| 276 | Y | 93.2 | Very high | 95.6 | Very high | 55 Ų | 55 | 71.1 Ų | 71.1 | 22% | 0.216 | 36% | 0.355 | C | S | . | . | trans | -138 | 70.3 | -173.2 | -56.1 | -81.4 | 0 | 0 | 0 | 111 | I272 Q278 L279 G441 V442 V445 | I272-Y276 CarbonylContact O-C 3.58Å; I272-Y276 WeakPolarHBondContact O-CA 3.36Å; I272-Y276 PolarHBondContact O-N 3.28Å; Y276-Q278 PolarHBondContact O-N 3.2Å; Y276-Q278 VanDerWaalsContact O-N 3.15Å; Y276-L279 HydrophobicContact CD1-CD1 4.26Å; Y276-L279 HydrophobicContact CD2-CD1 4.21Å; Y276-L279 HydrophobicContact CG-CD1 3.72Å; Y276-L279 HydrophobicContact CG-CG 4.39Å; Y276-L279 PolarHBondContact O-N 3.48Å; Y276-G441 WeakPolarHBondContact OH-CA 3.32Å; Y276-V442 HydrophobicContact CD2-CG2 4.04Å; Y276-V442 HydrophobicContact CE2-CG2 4.07Å; Y276-V445 HydrophobicContact CE2-CG2 3.97Å | ||
| 277 | P | 91.1 | Very high | 95.2 | Very high | 84 Ų | 84 | 71.3 Ų | 71.3 | 55% | 0.545 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -30.3 | -173.8 | 22.8 | -34.2 | 0 | 0 | 0 | 114 | K273 | K273-P277 PolarHBondContact NZ-O 2.82Š|
| 278 | Q | 88.8 | Confident | 94.8 | Very high | 76 Ų | 76 | 71 Ų | 71 | 36% | 0.355 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -15.8 | -177.6 | 73.8 | -76.8 | 13.5 | 0 | 0 | 114.7 | Y276 | Y276-Q278 PolarHBondContact O-N 3.2Å; Y276-Q278 VanDerWaalsContact O-N 3.15Å |
| 279 | L | 91.8 | Very high | 94.4 | Very high | 2 Ų | 2 | 71.3 Ų | 71.3 | 1% | 0.01 | 36% | 0.356 | C | S | . | . | trans | -71.1 | 135.1 | -177.7 | -66.3 | -179.1 | 0 | 0 | 0 | 111.6 | R250 I252 I272 K273 Y276 I438 V442 | R250-L279 HydrophobicContact CB-CD2 3.62Å; R250-L279 HydrophobicContact CG-CD2 4.32Å; R250-L279 WeakPolarHBondContact O-CA 3.38Å; R250-L279 WeakPolarHBondContact O-CD2 3.23Å; I252-L279 HydrophobicContact CD1-CD1 4.39Å; I252-L279 HydrophobicContact CG1-CD1 4.04Å; I272-L279 HydrophobicContact CG2-CB 4.49Å; I272-L279 HydrophobicContact CG2-CD1 4.12Å; K273-L279 WeakPolarHBondContact CE-O 3.41Å; K273-L279 PolarHBondContact NZ-O 3.05Å; Y276-L279 HydrophobicContact CD1-CD1 4.26Å; Y276-L279 HydrophobicContact CD2-CD1 4.21Å; Y276-L279 HydrophobicContact CG-CD1 3.72Å; Y276-L279 HydrophobicContact CG-CG 4.39Å; Y276-L279 PolarHBondContact O-N 3.48Å; L279-I438 HydrophobicContact CD1-CG2 3.98Å; L279-I438 HydrophobicContact CD2-CG2 3.94Å; L279-V442 HydrophobicContact CD1-CG2 3.62Å | ||
| 280 | L | 93.4 | Very high | 93.9 | Very high | 72 Ų | 72 | 67.7 Ų | 67.7 | 38% | 0.377 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 141.4 | 168.4 | -63.8 | 175 | 0 | 0 | 0 | 108.7 | Q249 R250 T251 I252 | Q249-L280 HydrophobicContact CB-CD1 3.99Å; Q249-L280 HydrophobicContact CB-CG 4.09Å; R250-L280 PolarHBondContact O-N 3.25Å; T251-L280 CarbonylContact C-O 3.15Å; T251-L280 VanDerWaalsContact CA-O 3.27Å; T251-L280 WeakPolarHBondContact CA-O 3.33Å; T251-L280 HydrophobicContact CG2-CB 4.27Å; I252-L280 PolarHBondContact N-O 3.41Å |
| 281 | L | 96.1 | Very high | 93.5 | Very high | 55 Ų | 55 | 61.7 Ų | 61.7 | 29% | 0.288 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 135.2 | 178.7 | -59.1 | -175.8 | 0 | 0 | 0 | 109.5 | I252 Y269 I272 | I252-L281 HydrophobicContact CB-CD2 3.75Å; I252-L281 HydrophobicContact CG1-CD2 4.28Å; I252-L281 HydrophobicContact CG2-CD2 4.4Å; I252-L281 CarbonylContact O-C 3.55Å; I252-L281 WeakPolarHBondContact O-CA 3.39Å; Y269-L281 HydrophobicContact CD2-CD1 3.97Å; I272-L281 HydrophobicContact CB-CD1 4.36Å; I272-L281 HydrophobicContact CD1-CD1 4.07Å; I272-L281 HydrophobicContact CD1-CD2 3.95Å; I272-L281 HydrophobicContact CG2-CD1 4.42Å; I272-L281 HydrophobicContact CG2-CD2 4.2Å |
| 282 | R | 97.8 | Very high | 93.2 | Very high | 154 Ų | 154 | 61.4 Ų | 61.4 | 58% | 0.581 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 135.8 | 176.5 | -175.3 | 174.3 | -173.3 | -96.4 | -2.5 | 109.5 | T251 I252 T253 I254 P284 | T251-R282 HydrophobicContact CG2-CB 4.1Å; I252-R282 PolarHBondContact O-N 3.07Å; T253-R282 CarbonylContact C-O 3.58Å; T253-R282 WeakPolarHBondContact CA-O 3.36Å; T253-R282 HydrophobicContact CG2-CB 4.06Å; T253-R282 HydrophobicContact CG2-CG 4.46Å; I254-R282 PolarHBondContact N-O 2.99Å; R282-P284 WeakPolarHBondContact O-CD 3.49Å |
| 283 | N | 98 | Very high | 93.1 | Very high | 81 Ų | 81 | 61.4 Ų | 61.4 | 43% | 0.433 | 32% | 0.322 | S | S | . | . | trans | -111.7 | 89.5 | 176.7 | 177.1 | -131.3 | 0 | 0 | 0 | 110 | I254 T256 L265 | I254-N283 WeakPolarHBondContact O-CA 3.42Å; I254-N283 PolarHBondContact O-ND2 2.74Å; T256-N283 PolarHBondContact N-ND2 2.84Å; T256-N283 PolarHBondContact OG1-ND2 2.77Å; L265-N283 HydrophobicContact CD1-CB 3.97Å; L265-N283 VanDerWaalsContact CD1-CG 3.49Å | ||
| 284 | P | 96.4 | Very high | 92.8 | Very high | 12 Ų | 12 | 60.1 Ų | 60.1 | 8% | 0.078 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -77.4 | 162 | 170.9 | 27.7 | -25.7 | 0 | 0 | 0 | 111.7 | A255 R282 | A255-P284 VanDerWaalsContact CA-O 3.26Å; A255-P284 WeakPolarHBondContact CA-O 3.26Å; A255-P284 HydrophobicContact CB-CG 4.11Å; A255-P284 WeakPolarHBondContact CB-O 3.47Å; R282-P284 WeakPolarHBondContact O-CD 3.49Å |
| 285 | P | 94.3 | Very high | 92.5 | Very high | 96 Ų | 96 | 60.4 Ų | 60.4 | 62% | 0.623 | 31% | 0.314 | S | S | * | . | P | Polyproline II helix | trans | -70.6 | 162.3 | 171.5 | 31.7 | -35.9 | 0 | 0 | 0 | 111.9 | Q292 | P285-Q292 PolarHBondContact O-NE2 2.85Š|
| 286 | I | 92.4 | Very high | 92.3 | Very high | 36 Ų | 36 | 60.3 Ų | 60.3 | 19% | 0.185 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -91.8 | 122.6 | 166.4 | -55.5 | 171.3 | 0 | 0 | 0 | 107.3 | A255 T257 A289 I301 D303 M305 | A255-I286 HydrophobicContact CB-CG1 3.87Å; T257-I286 HydrophobicContact CG2-CD1 4.49Å; I286-A289 HydrophobicContact CG2-CB 3.95Å; I286-I301 HydrophobicContact CD1-CG2 3.3Å; I286-I301 HydrophobicContact CG1-CG2 3.63Å; I286-D303 HydrophobicContact CD1-CB 4Å; I286-D303 WeakPolarHBondContact CD1-OD2 3.47Å; I286-M305 HydrophobicContact CD1-SD 4.43Å |
| 287 | S | 89.9 | Confident | 92.3 | Very high | 82 Ų | 82 | 63.1 Ų | 63.1 | 57% | 0.573 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -126.2 | -27.3 | 178.1 | 60.8 | 0 | 0 | 0 | 0 | 113.7 | ||
| 288 | D | 89 | Confident | 92.4 | Very high | 57 Ų | 57 | 59.3 Ų | 59.3 | 31% | 0.305 | 30% | 0.303 | S | S | . | . | trans | -161 | 89 | 172.2 | -179.3 | -31.7 | 0 | 0 | 0 | 106.2 | E290 N291 Q292 | D288-E290 VanDerWaalsContact C-N 3.27Å; D288-E290 PolarHBondContact O-N 2.86Å; D288-E290 PolarHBondContact OD1-N 2.77Å; D288-N291 HydrophobicContact CB-CB 4.26Å; D288-N291 PolarHBondContact O-N 3.46Å; D288-N291 WeakPolarHBondContact OD1-CB 3.39Å; D288-N291 PolarHBondContact OD1-N 3.25Å; D288-N291 PolarHBondContact OD2-ND2 3.01Å; D288-Q292 VanDerWaalsContact N-OE1 3.11Å; D288-Q292 VanDerWaalsContact O-CB 3.26Å; D288-Q292 WeakPolarHBondContact O-CB 3.43Å; D288-Q292 WeakPolarHBondContact O-CG 3.42Å; D288-Q292 PolarHBondContact O-N 3.34Å; D288-Q292 PolarHBondContact O-OE1 2.98Å | ||
| 289 | A | 90.2 | Very high | 92.8 | Very high | 7 Ų | 7 | 57.1 Ų | 57.1 | 6% | 0.058 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57.5 | -40.3 | -169.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | I286 L293 I301 M305 | I286-A289 HydrophobicContact CG2-CB 3.95Å; A289-L293 WeakPolarHBondContact O-CB 3.41Å; A289-L293 WeakPolarHBondContact O-CG 3.45Å; A289-L293 PolarHBondContact O-N 2.95Å; A289-L293 VanDerWaalsContact O-N 3.15Å; A289-I301 HydrophobicContact CB-CD1 3.72Å; A289-M305 HydrophobicContact CB-SD 3.72Å |
| 290 | E | 88.8 | Confident | 93.1 | Very high | 58 Ų | 58 | 57 Ų | 57 | 27% | 0.271 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -69.8 | -44.1 | -178 | -67.8 | -162.5 | 165.9 | 0 | 0 | 111.8 | D288 S294 C307 T308 N309 | D288-E290 VanDerWaalsContact C-N 3.27Å; D288-E290 PolarHBondContact O-N 2.86Å; D288-E290 PolarHBondContact OD1-N 2.77Å; E290-S294 WeakPolarHBondContact O-CB 3.34Å; E290-S294 PolarHBondContact O-N 2.69Å; E290-S294 PolarHBondContact O-OG 2.91Å; E290-C307 HydrophobicContact CG-CB 4.48Å; E290-T308 PolarHBondContact OE1-N 3.19Å; E290-T308 PolarHBondContact OE1-OG1 3.15Å; E290-N309 HydrophobicContact CG-CB 4.37Å; E290-N309 PolarHBondContact OE1-N 2.83Å |
| 291 | N | 89.7 | Confident | 93.3 | Very high | 66 Ų | 66 | 53.6 Ų | 53.6 | 35% | 0.353 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -70.9 | -39.9 | 176.1 | -79.2 | -41.6 | 0 | 0 | 0 | 112.1 | D288 L293 S294 Q295 | D288-N291 HydrophobicContact CB-CB 4.26Å; D288-N291 PolarHBondContact O-N 3.46Å; D288-N291 WeakPolarHBondContact OD1-CB 3.39Å; D288-N291 PolarHBondContact OD1-N 3.25Å; D288-N291 PolarHBondContact OD2-ND2 3.01Å; N291-L293 VanDerWaalsContact C-N 3.29Å; N291-L293 PolarHBondContact O-N 3.16Å; N291-S294 WeakPolarHBondContact CA-OG 3.24Å; N291-S294 PolarHBondContact O-N 3.32Å; N291-S294 PolarHBondContact O-OG 2.86Å; N291-Q295 VanDerWaalsContact O-CB 3.23Å; N291-Q295 WeakPolarHBondContact O-CB 3.21Å; N291-Q295 WeakPolarHBondContact O-CG 3.43Å; N291-Q295 PolarHBondContact O-N 3.32Å; N291-Q295 PolarHBondContact OD1-NE2 3.14Å |
| 292 | Q | 93 | Very high | 93.4 | Very high | 11 Ų | 11 | 51 Ų | 51 | 5% | 0.051 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.1 | -41.3 | 179 | -75.5 | 178.4 | -83.1 | 0 | 0 | 111.7 | P285 D288 F296 Q297 T298 I301 | P285-Q292 PolarHBondContact O-NE2 2.85Å; D288-Q292 VanDerWaalsContact N-OE1 3.11Å; D288-Q292 VanDerWaalsContact O-CB 3.26Å; D288-Q292 WeakPolarHBondContact O-CB 3.43Å; D288-Q292 WeakPolarHBondContact O-CG 3.42Å; D288-Q292 PolarHBondContact O-N 3.34Å; D288-Q292 PolarHBondContact O-OE1 2.98Å; Q292-F296 PolarHBondContact O-N 3.46Å; Q292-Q297 HydrophobicContact CB-CB 4.44Å; Q292-Q297 HydrophobicContact CG-CB 4.48Å; Q292-Q297 PolarHBondContact O-N 3.32Å; Q292-T298 HydrophobicContact CB-CG2 3.88Å; Q292-T298 PolarHBondContact O-N 2.77Å; Q292-I301 HydrophobicContact CB-CD1 4.27Å |
| 293 | L | 94.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -78.4 | -44.9 | 176.7 | -72.3 | 173.9 | 0 | 0 | 0 | 113 | A289 N291 Q295 F296 T298 I301 V312 H428 N430 | A289-L293 WeakPolarHBondContact O-CB 3.41Å; A289-L293 WeakPolarHBondContact O-CG 3.45Å; A289-L293 PolarHBondContact O-N 2.95Å; A289-L293 VanDerWaalsContact O-N 3.15Å; N291-L293 VanDerWaalsContact C-N 3.29Å; N291-L293 PolarHBondContact O-N 3.16Å; L293-Q295 VanDerWaalsContact C-N 3.32Å; L293-Q295 PolarHBondContact O-N 3.3Å; L293-F296 PolarHBondContact O-N 3.04Å; L293-T298 HydrophobicContact CD2-CG2 3.93Å; L293-T298 HydrophobicContact CG-CG2 4.39Å; L293-I301 HydrophobicContact CD1-CB 4.35Å; L293-I301 HydrophobicContact CD1-CD1 3.88Å; L293-I301 HydrophobicContact CD1-CG1 3.93Å; L293-I301 HydrophobicContact CD2-CD1 4.27Å; L293-I301 HydrophobicContact CD2-CG1 3.81Å; L293-I301 HydrophobicContact CG-CD1 3.66Å; L293-I301 HydrophobicContact CG-CG1 3.74Å; L293-V312 HydrophobicContact CB-CG2 3.97Å; L293-V312 HydrophobicContact CD1-CG1 3.78Å; L293-V312 HydrophobicContact CD1-CG2 4.12Å; L293-H428 HydrophobicContact CD1-CB 3.63Å; L293-N430 WeakPolarHBondContact O-CB 3.34Å; L293-N430 PolarHBondContact O-ND2 2.89Å |
| 294 | S | 89.9 | Confident | 92.8 | Very high | 30 Ų | 30 | 41.1 Ų | 41.1 | 21% | 0.21 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68.3 | -31.2 | -176.4 | 62.3 | 0 | 0 | 0 | 0 | 113.1 | E290 N291 N430 | E290-S294 WeakPolarHBondContact O-CB 3.34Å; E290-S294 PolarHBondContact O-N 2.69Å; E290-S294 PolarHBondContact O-OG 2.91Å; N291-S294 WeakPolarHBondContact CA-OG 3.24Å; N291-S294 PolarHBondContact O-N 3.32Å; N291-S294 PolarHBondContact O-OG 2.86Å; S294-N430 WeakPolarHBondContact CA-ND2 3.48Å; S294-N430 PolarHBondContact O-ND2 3.26Å |
| 295 | Q | 90.8 | Very high | 92.3 | Very high | 112 Ų | 112 | 41.6 Ų | 41.6 | 52% | 0.523 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 9.5 | 178.5 | -55.1 | 178.4 | 6.5 | 0 | 0 | 113.7 | N291 L293 Q297 | N291-Q295 VanDerWaalsContact O-CB 3.23Å; N291-Q295 WeakPolarHBondContact O-CB 3.21Å; N291-Q295 WeakPolarHBondContact O-CG 3.43Å; N291-Q295 PolarHBondContact O-N 3.32Å; N291-Q295 PolarHBondContact OD1-NE2 3.14Å; L293-Q295 VanDerWaalsContact C-N 3.32Å; L293-Q295 PolarHBondContact O-N 3.3Å; Q295-Q297 VanDerWaalsContact C-N 3.25Å; Q295-Q297 HydrophobicContact CB-CG 4.22Å; Q295-Q297 PolarHBondContact O-N 2.82Å |
| 296 | F | 89.8 | Confident | 91.7 | Very high | 120 Ų | 120 | 43.7 Ų | 43.7 | 53% | 0.526 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57 | 32.9 | 178.2 | -52 | -88.1 | 0 | 0 | 0 | 114.4 | Q292 L293 T298 N430 F432 | Q292-F296 PolarHBondContact O-N 3.46Å; L293-F296 PolarHBondContact O-N 3.04Å; F296-T298 VanDerWaalsContact C-N 3.33Å; F296-N430 HydrophobicContact CE1-CB 4.12Å; F296-F432 HydrophobicContact CE1-CB 4.29Å; F296-F432 HydrophobicContact CZ-CB 3.94Å |
| 297 | Q | 92.2 | Very high | 91.1 | Very high | 114 Ų | 114 | 42.8 Ų | 42.8 | 53% | 0.533 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -77.1 | -25.4 | 172.9 | -55 | -178.6 | 8.8 | 0 | 0 | 111.7 | Q292 Q295 | Q292-Q297 HydrophobicContact CB-CB 4.44Å; Q292-Q297 HydrophobicContact CG-CB 4.48Å; Q292-Q297 PolarHBondContact O-N 3.32Å; Q295-Q297 VanDerWaalsContact C-N 3.25Å; Q295-Q297 HydrophobicContact CB-CG 4.22Å; Q295-Q297 PolarHBondContact O-N 2.82Å |
| 298 | T | 94.3 | Very high | 90.7 | Very high | 4 Ų | 4 | 43.4 Ų | 43.4 | 3% | 0.025 | 22% | 0.219 | C | C | . | . | trans | -136 | 147 | 170.1 | -160.1 | 0 | 0 | 0 | 0 | 109.6 | T253 A255 Q292 L293 F296 L300 I301 | T253-T298 PolarHBondContact O-OG1 3.47Å; T253-T298 WeakPolarHBondContact OG1-CA 3.27Å; A255-T298 HydrophobicContact CB-CG2 4.39Å; Q292-T298 HydrophobicContact CB-CG2 3.88Å; Q292-T298 PolarHBondContact O-N 2.77Å; L293-T298 HydrophobicContact CD2-CG2 3.93Å; L293-T298 HydrophobicContact CG-CG2 4.39Å; F296-T298 VanDerWaalsContact C-N 3.33Å; T298-L300 PolarHBondContact OG1-O 2.93Å; T298-I301 HydrophobicContact CG2-CD1 3.86Å; T298-I301 HydrophobicContact CG2-CG1 3.49Å; T298-I301 VanDerWaalsContact CG2-CG1 3.49Å | ||
| 299 | D | 96.6 | Very high | 90.4 | Very high | 30 Ų | 30 | 43 Ų | 43 | 16% | 0.16 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -75 | -49 | 179.7 | -61.3 | -80.3 | 0 | 0 | 0 | 110.5 | R250 I252 T253 L439 | R250-D299 IonicContact CZ-OD1 3.01Å; R250-D299 IonicContact CZ-OD2 3.49Å; R250-D299 VanDerWaalsContact NH1-CG 3.26Å; R250-D299 IonicContact NH1-OD1 3.18Å; R250-D299 PolarHBondContact NH1-OD1 2.92Å; R250-D299 VanDerWaalsContact NH1-OD1 3.1Å; R250-D299 IonicContact NH1-OD2 3.56Å; R250-D299 PolarHBondContact NH1-OD2 2.75Å; R250-D299 IonicContact NH2-OD1 2.98Å; R250-D299 PolarHBondContact NH2-OD1 3.47Å; R250-D299 IonicContact NH2-OD2 3.76Å; I252-D299 WeakPolarHBondContact CA-OD2 3.38Å; I252-D299 HydrophobicContact CG2-CB 4.47Å; T253-D299 PolarHBondContact N-OD2 3.16Å; T253-D299 WeakPolarHBondContact O-CB 3.26Å; T253-D299 PolarHBondContact O-N 3.01Å; T253-D299 PolarHBondContact OG1-N 3.27Å; T253-D299 PolarHBondContact OG1-OD2 2.97Å; D299-L439 HydrophobicContact CB-CD1 3.98Å; D299-L439 HydrophobicContact CB-CD2 3.93Å |
| 300 | L | 98.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 147 | -173.4 | -53.9 | 176 | 0 | 0 | 0 | 109.9 | I252 T253 I254 A255 T298 I427 H428 Y429 L439 V442 I443 I446 | I252-L300 HydrophobicContact CG2-CD1 4.35Å; T253-L300 PolarHBondContact O-N 2.9Å; I254-L300 WeakPolarHBondContact CA-O 3.45Å; I254-L300 HydrophobicContact CD1-CD1 4.31Å; I254-L300 HydrophobicContact CG1-CB 4.41Å; I254-L300 HydrophobicContact CG1-CD1 4.11Å; I254-L300 HydrophobicContact CG2-CB 4.29Å; A255-L300 PolarHBondContact N-O 2.91Å; T298-L300 PolarHBondContact OG1-O 2.93Å; L300-I427 HydrophobicContact CD1-CD1 4Å; L300-I427 HydrophobicContact CD2-CD1 4.08Å; L300-I427 HydrophobicContact CD2-CG1 4.39Å; L300-I427 HydrophobicContact CG-CD1 4.46Å; L300-H428 WeakPolarHBondContact CA-O 3.3Å; L300-Y429 HydrophobicContact CD2-CG 4.45Å; L300-L439 HydrophobicContact CD1-CD1 4.28Å; L300-L439 HydrophobicContact CD2-CD1 3.99Å; L300-L439 HydrophobicContact CG-CD1 4.1Å; L300-V442 HydrophobicContact CD1-CG1 4.3Å; L300-I443 HydrophobicContact CD2-CD1 3.95Å; L300-I443 HydrophobicContact CD2-CG1 3.65Å; L300-I446 HydrophobicContact CD1-CD1 3.59Å |
| 301 | I | 97.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 133.3 | 164.4 | -50 | -172.4 | 0 | 0 | 0 | 108.6 | A255 I286 A289 Q292 L293 T298 M305 H428 | A255-I301 HydrophobicContact CB-CG1 4.11Å; A255-I301 HydrophobicContact CB-CG2 4.22Å; A255-I301 CarbonylContact O-C 3.54Å; A255-I301 WeakPolarHBondContact O-CA 3.48Å; A255-I301 WeakPolarHBondContact O-CG2 3.33Å; I286-I301 HydrophobicContact CD1-CG2 3.3Å; I286-I301 HydrophobicContact CG1-CG2 3.63Å; A289-I301 HydrophobicContact CB-CD1 3.72Å; Q292-I301 HydrophobicContact CB-CD1 4.27Å; L293-I301 HydrophobicContact CD1-CB 4.35Å; L293-I301 HydrophobicContact CD1-CD1 3.88Å; L293-I301 HydrophobicContact CD1-CG1 3.93Å; L293-I301 HydrophobicContact CD2-CD1 4.27Å; L293-I301 HydrophobicContact CD2-CG1 3.81Å; L293-I301 HydrophobicContact CG-CD1 3.66Å; L293-I301 HydrophobicContact CG-CG1 3.74Å; T298-I301 HydrophobicContact CG2-CD1 3.86Å; T298-I301 HydrophobicContact CG2-CG1 3.49Å; T298-I301 VanDerWaalsContact CG2-CG1 3.49Å; I301-M305 HydrophobicContact CB-CE 3.89Å; I301-M305 HydrophobicContact CG2-CE 3.28Å; I301-M305 HydrophobicContact CG2-SD 4.16Å; I301-H428 HydrophobicContact CB-CB 4.44Å; I301-H428 PolarHBondContact N-O 3.43Å; I301-H428 PolarHBondContact O-N 3.03Å |
| 302 | I | 97.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 112.8 | 174 | -57.5 | 173 | 0 | 0 | 0 | 108.6 | I254 A255 T256 V260 V264 I268 L317 S426 I427 I446 | I254-I302 HydrophobicContact CG2-CD1 3.79Å; I254-I302 HydrophobicContact CG2-CG1 4.13Å; A255-I302 PolarHBondContact O-N 2.94Å; T256-I302 HydrophobicContact CG2-CB 4.12Å; V260-I302 HydrophobicContact CG1-CG2 4.18Å; V260-I302 WeakPolarHBondContact CG1-O 3.26Å; V264-I302 HydrophobicContact CG2-CG2 4.19Å; I268-I302 HydrophobicContact CD1-CD1 3.23Å; I302-L317 HydrophobicContact CD1-CD1 4.06Å; I302-L317 HydrophobicContact CG1-CD1 4.39Å; I302-L317 HydrophobicContact CG2-CD1 3.89Å; I302-S426 WeakPolarHBondContact CA-O 3.38Å; I302-I427 HydrophobicContact CG1-CB 4.12Å; I302-I427 HydrophobicContact CG1-CG1 4.05Å; I302-I446 HydrophobicContact CD1-CG2 4.45Å |
| 303 | D | 93.5 | Very high | 90.4 | Very high | 3 Ų | 3 | 53.4 Ų | 53.4 | 2% | 0.016 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | -173.1 | 175.9 | -140.6 | -60.8 | 0 | 0 | 0 | 109.3 | T257 I286 M305 Q355 S426 | T257-D303 WeakPolarHBondContact CB-OD2 3.44Å; T257-D303 WeakPolarHBondContact CG2-OD2 3.37Å; T257-D303 PolarHBondContact N-OD2 2.69Å; T257-D303 PolarHBondContact OG1-OD2 3.12Å; I286-D303 HydrophobicContact CD1-CB 4Å; I286-D303 WeakPolarHBondContact CD1-OD2 3.47Å; D303-M305 HydrophobicContact CB-CE 3.39Å; D303-M305 HydrophobicContact CB-SD 3.81Å; D303-Q355 PolarHBondContact OD1-NE2 3.03Å; D303-S426 PolarHBondContact N-O 3.22Å; D303-S426 PolarHBondContact O-N 3.45Å |
| 304 | N | 89.9 | Confident | 90.4 | Very high | 26 Ų | 26 | 58.1 Ų | 58.1 | 14% | 0.139 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -103.3 | 21.7 | 176.9 | 57.6 | 10.3 | 0 | 0 | 0 | 112.9 | Q355 F357 I423 D424 F425 | N304-Q355 VanDerWaalsContact OD1-CD 3.25Å; N304-Q355 PolarHBondContact OD1-NE2 2.83Å; N304-Q355 PolarHBondContact OD1-OE1 3.34Å; N304-F357 HydrophobicContact CB-CZ 4.24Å; N304-F357 VanDerWaalsContact CG-CZ 3.48Å; N304-F357 WeakPolarHBondContact ND2-CZ 3.38Å; N304-F357 WeakPolarHBondContact OD1-CZ 3.36Å; N304-I423 HydrophobicContact CB-CD1 3.98Å; N304-I423 HydrophobicContact CB-CG1 3.95Å; N304-I423 WeakPolarHBondContact ND2-CD1 3.49Å; N304-D424 WeakPolarHBondContact CA-O 3.49Å; N304-D424 WeakPolarHBondContact CB-O 3.28Å; N304-F425 HydrophobicContact CB-CD1 3.79Å; N304-F425 HydrophobicContact CB-CE1 3.67Å; N304-F425 HydrophobicContact CB-CG 4.28Å; N304-F425 HydrophobicContact CB-CZ 4.09Å; N304-F425 WeakPolarHBondContact ND2-CE1 3.19Å; N304-F425 WeakPolarHBondContact ND2-CZ 3.48Å |
| 305 | M | 85.5 | Confident | 90.6 | Very high | 21 Ų | 21 | 60.2 Ų | 60.2 | 10% | 0.103 | 28% | 0.283 | C | S | . | . | trans | -78.9 | 158.4 | 179.3 | 74.5 | -135 | 132 | 0 | 0 | 112.5 | I286 A289 I301 D303 Q355 H428 | I286-M305 HydrophobicContact CD1-SD 4.43Å; A289-M305 HydrophobicContact CB-SD 3.72Å; I301-M305 HydrophobicContact CB-CE 3.89Å; I301-M305 HydrophobicContact CG2-CE 3.28Å; I301-M305 HydrophobicContact CG2-SD 4.16Å; D303-M305 HydrophobicContact CB-CE 3.39Å; D303-M305 HydrophobicContact CB-SD 3.81Å; M305-Q355 HydrophobicContact CB-CG 4.41Å; M305-H428 WeakPolarHBondContact CE-CD2 3.28Å; M305-H428 PolarHBondContact O-CE1 2.74Å; M305-H428 VanDerWaalsContact O-CE1 3.3Å; M305-H428 PolarHBondContact O-NE2 3.5Å | ||
| 306 | F | 81.7 | Confident | 90.9 | Very high | 141 Ų | 141 | 57.3 Ų | 57.3 | 62% | 0.618 | 27% | 0.273 | S | S | * | . | trans | -106.8 | 114.9 | 173.7 | -176.8 | -101.8 | 0 | 0 | 0 | 110.3 | T308 | F306-T308 HydrophobicContact CD1-CG2 4.02Å; F306-T308 HydrophobicContact CE1-CG2 3.8Å | ||
| 307 | C | 81.1 | Confident | 91.3 | Very high | 17 Ų | 17 | 52.2 Ų | 52.2 | 12% | 0.115 | 25% | 0.251 | C | S | . | . | trans | -92.3 | 128.3 | 174.7 | -64.2 | 0 | 0 | 0 | 0 | 110.1 | E290 V312 | E290-C307 HydrophobicContact CG-CB 4.48Å; C307-V312 HydrophobicContact CB-CB 4.25Å; C307-V312 HydrophobicContact CB-CG1 3.94Å | ||
| 308 | T | 80.4 | Confident | 91.5 | Very high | 95 Ų | 95 | 47.3 Ų | 47.3 | 58% | 0.583 | 23% | 0.228 | S | C | * | . | trans | -90 | -18.8 | 177.6 | 63.1 | 0 | 0 | 0 | 0 | 112.8 | E290 F306 R310 | E290-T308 PolarHBondContact OE1-N 3.19Å; E290-T308 PolarHBondContact OE1-OG1 3.15Å; F306-T308 HydrophobicContact CD1-CG2 4.02Å; F306-T308 HydrophobicContact CE1-CG2 3.8Å; T308-R310 PolarHBondContact O-N 3.38Å | ||
| 309 | N | 83.5 | Confident | 91.5 | Very high | 47 Ų | 47 | 49.8 Ų | 49.8 | 25% | 0.251 | 24% | 0.244 | S | C | . | . | trans | -65.2 | 124.3 | -176.1 | -169.5 | -28.5 | 0 | 0 | 0 | 112.9 | E290 T311 V312 | E290-N309 HydrophobicContact CG-CB 4.37Å; E290-N309 PolarHBondContact OE1-N 2.83Å; N309-T311 PolarHBondContact O-N 3.31Å; N309-T311 VanDerWaalsContact O-N 3.12Å; N309-T311 PolarHBondContact OD1-N 3.33Å; N309-T311 PolarHBondContact OD1-OG1 3.41Å; N309-V312 HydrophobicContact CB-CG2 4.15Å; N309-V312 PolarHBondContact O-N 3.07Å | ||
| 310 | R | 86.2 | Confident | 91.5 | Very high | 230 Ų | 230 | 49 Ų | 49 | 87% | 0.868 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -10.4 | -179.5 | -61.4 | -177.3 | -178.5 | -179.5 | 0.4 | 115.1 | T308 K431 | T308-R310 PolarHBondContact O-N 3.38Å; R310-K431 PolarHBondContact O-NZ 3.3Å |
| 311 | T | 89.8 | Confident | 91.2 | Very high | 33 Ų | 33 | 52 Ų | 52 | 20% | 0.202 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -17.7 | 171.8 | 62.4 | 0 | 0 | 0 | 0 | 112.3 | N309 N430 K431 F432 | N309-T311 PolarHBondContact O-N 3.31Å; N309-T311 VanDerWaalsContact O-N 3.12Å; N309-T311 PolarHBondContact OD1-N 3.33Å; N309-T311 PolarHBondContact OD1-OG1 3.41Å; T311-N430 CarbonylContact O-C 3.43Å; T311-N430 WeakPolarHBondContact O-CA 3.33Å; T311-K431 WeakPolarHBondContact O-CG 3.36Å; T311-K431 PolarHBondContact O-N 2.75Å; T311-F432 HydrophobicContact CG2-CE2 4.32Å |
| 312 | V | 91.7 | Very high | 91.1 | Very high | 16 Ų | 16 | 52.5 Ų | 52.5 | 10% | 0.097 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 125.9 | 179.1 | 179.5 | 0 | 0 | 0 | 0 | 109.2 | L293 C307 N309 H428 Y429 | L293-V312 HydrophobicContact CB-CG2 3.97Å; L293-V312 HydrophobicContact CD1-CG1 3.78Å; L293-V312 HydrophobicContact CD1-CG2 4.12Å; C307-V312 HydrophobicContact CB-CB 4.25Å; C307-V312 HydrophobicContact CB-CG1 3.94Å; N309-V312 HydrophobicContact CB-CG2 4.15Å; N309-V312 PolarHBondContact O-N 3.07Å; V312-H428 HydrophobicContact CG1-CB 4.08Å; V312-Y429 CarbonylContact C-O 3.47Å; V312-Y429 WeakPolarHBondContact CA-O 3.32Å |
| 313 | Q | 93.1 | Very high | 90.9 | Very high | 82 Ų | 82 | 52.8 Ų | 52.8 | 38% | 0.383 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 153.8 | 166.6 | -77.4 | -179.2 | -32.1 | 0 | 0 | 109 | H428 Y429 K431 | Q313-H428 WeakPolarHBondContact O-CA 3.03Å; Q313-Y429 HydrophobicContact CB-CD2 4.24Å; Q313-Y429 HydrophobicContact CB-CE2 3.71Å; Q313-Y429 PolarHBondContact N-O 2.95Å; Q313-Y429 PolarHBondContact O-N 3.02Å; Q313-K431 HydrophobicContact CG-CB 4.08Å |
| 314 | H | 94 | Very high | 91 | Very high | 100 Ų | 100 | 52.8 Ų | 52.8 | 46% | 0.463 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 157.4 | 175.8 | 71.6 | -84.8 | 0 | 0 | 0 | 111.7 | I427 H428 | H314-I427 CarbonylContact C-O 3.58Å; H314-I427 WeakPolarHBondContact CA-O 3.35Å; H314-H428 VanDerWaalsContact CB-ND1 3.26Å; H314-H428 WeakPolarHBondContact CB-ND1 3.37Å |
| 315 | H | 95.4 | Very high | 91.2 | Very high | 73 Ų | 73 | 51.5 Ų | 51.5 | 34% | 0.338 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 129.9 | 173.8 | -169.6 | 75.4 | 0 | 0 | 0 | 109.2 | L317 S426 I427 R447 | H315-L317 PolarHBondContact O-N 3.45Å; H315-S426 CarbonylContact O-C 3.56Å; H315-S426 WeakPolarHBondContact O-CA 3.49Å; H315-S426 WeakPolarHBondContact O-CB 3.26Å; H315-I427 HydrophobicContact CB-CG2 3.91Å; H315-I427 PolarHBondContact N-O 2.86Å; H315-I427 WeakPolarHBondContact O-CG2 3.14Å; H315-I427 PolarHBondContact O-N 3.33Å; H315-R447 PolarHBondContact CD2-NE 3.47Å; H315-R447 VanDerWaalsContact CD2-NE 3.28Å; H315-R447 PolarHBondContact CE1-NH2 3.15Å; H315-R447 PolarHBondContact NE2-NE 3.35Å |
| 316 | V | 96.6 | Very high | 91.7 | Very high | 52 Ų | 52 | 50.5 Ų | 50.5 | 32% | 0.315 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 122.7 | 175.3 | -179.1 | 0 | 0 | 0 | 0 | 108.3 | D424 S426 | V316-D424 HydrophobicContact CG1-CB 3.99Å; V316-D424 HydrophobicContact CG2-CB 4.04Å; V316-S426 WeakPolarHBondContact CA-OG 3.37Å |
| 317 | L | 97.8 | Very high | 92.5 | Very high | 12 Ų | 12 | 46.9 Ų | 46.9 | 6% | 0.063 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | -44.5 | 172 | -65.4 | -179.2 | 0 | 0 | 0 | 109.9 | I302 H315 F425 I427 I446 R447 F450 | I302-L317 HydrophobicContact CD1-CD1 4.06Å; I302-L317 HydrophobicContact CG1-CD1 4.39Å; I302-L317 HydrophobicContact CG2-CD1 3.89Å; H315-L317 PolarHBondContact O-N 3.45Å; L317-F425 PolarHBondContact N-O 2.82Å; L317-I427 HydrophobicContact CD1-CB 4.11Å; L317-I427 HydrophobicContact CD2-CB 4.19Å; L317-I427 HydrophobicContact CD2-CG2 3.76Å; L317-I427 HydrophobicContact CG-CB 4.12Å; L317-I427 HydrophobicContact CG-CG2 4.09Å; L317-I446 HydrophobicContact CD1-CG2 4.12Å; L317-I446 HydrophobicContact CD2-CG2 4.03Å; L317-R447 HydrophobicContact CD2-CG 4.33Å; L317-F450 HydrophobicContact CB-CB 3.9Å; L317-F450 HydrophobicContact CB-CD1 4.45Å; L317-F450 HydrophobicContact CB-CD2 4.26Å; L317-F450 HydrophobicContact CB-CG 3.94Å; L317-F450 HydrophobicContact CD1-CD2 3.97Å; L317-F450 HydrophobicContact CD1-CE2 4.15Å; L317-F450 HydrophobicContact CD1-CG 4.43Å; L317-F450 HydrophobicContact CD2-CB 4.42Å; L317-F450 HydrophobicContact CD2-CD2 4.17Å; L317-F450 HydrophobicContact CG-CD2 4.37Å; L317-F450 WeakPolarHBondContact O-CB 3.33Å |
| 318 | F | 96.9 | Very high | 93.2 | Very high | 11 Ų | 11 | 51.8 Ų | 51.8 | 5% | 0.048 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 155.1 | 174.5 | 60.2 | -87.8 | 0 | 0 | 0 | 111.2 | L263 V264 D320 F425 F450 | L263-F318 HydrophobicContact CD2-CE2 4.32Å; L263-F318 HydrophobicContact CD2-CZ 3.9Å; V264-F318 HydrophobicContact CG1-CE1 3.8Å; V264-F318 HydrophobicContact CG1-CZ 4.12Å; F318-D320 HydrophobicContact CD2-CB 4.37Å; F318-D320 HydrophobicContact CE2-CB 4.38Å; F318-F425 HydrophobicContact CD1-CB 4.3Å; F318-F425 HydrophobicContact CD2-CB 4.29Å; F318-F425 HydrophobicContact CD2-CD2 4.09Å; F318-F425 HydrophobicContact CE1-CB 3.82Å; F318-F425 HydrophobicContact CE1-CG 4.43Å; F318-F425 HydrophobicContact CE2-CB 3.83Å; F318-F425 AromaticContact CE2-CD2 3.36Å; F318-F425 HydrophobicContact CE2-CD2 3.36Å; F318-F425 HydrophobicContact CE2-CE2 4.15Å; F318-F425 AromaticContact CE2-CG 3.76Å; F318-F425 HydrophobicContact CE2-CG 3.76Å; F318-F425 HydrophobicContact CZ-CB 3.57Å; F318-F425 HydrophobicContact CZ-CD1 4.48Å; F318-F425 AromaticContact CZ-CD2 3.79Å; F318-F425 HydrophobicContact CZ-CD2 3.79Å; F318-F425 AromaticContact CZ-CG 3.68Å; F318-F425 HydrophobicContact CZ-CG 3.68Å; F318-F425 PolarHBondContact N-O 2.76Å; F318-F425 PolarHBondContact O-N 2.87Å; F318-F450 AromaticContact CD1-CD1 3.63Å; F318-F450 HydrophobicContact CD1-CD1 3.63Å; F318-F450 HydrophobicContact CD1-CE1 4.07Å; F318-F450 HydrophobicContact CD1-CG 4.41Å; F318-F450 HydrophobicContact CE1-CD1 4.05Å; F318-F450 HydrophobicContact CE1-CE1 4.01Å |
| 319 | T | 95.4 | Very high | 93.8 | Very high | 57 Ų | 57 | 49.8 Ų | 49.8 | 35% | 0.35 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 139.8 | 168.4 | -52.9 | 0 | 0 | 0 | 0 | 108.7 | Q422 I423 D424 | T319-Q422 HydrophobicContact CG2-CB 3.69Å; T319-Q422 HydrophobicContact CG2-CG 4.16Å; T319-I423 WeakPolarHBondContact CA-O 3.36Å; T319-D424 VanDerWaalsContact CB-OD1 3.3Å; T319-D424 WeakPolarHBondContact CB-OD1 3.42Å; T319-D424 VanDerWaalsContact CG2-OD1 3.26Å; T319-D424 WeakPolarHBondContact CG2-OD1 3.48Å; T319-D424 PolarHBondContact OG1-OD1 3.46Å |
| 320 | D | 94.7 | Very high | 94.3 | Very high | 12 Ų | 12 | 47.8 Ų | 47.8 | 6% | 0.064 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 148.5 | 177.2 | -159.9 | 14.1 | 0 | 0 | 0 | 111.4 | F318 P397 S398 R399 Q422 I423 F425 | F318-D320 HydrophobicContact CD2-CB 4.37Å; F318-D320 HydrophobicContact CE2-CB 4.38Å; D320-P397 HydrophobicContact CB-CB 4.08Å; D320-P397 VanDerWaalsContact OD2-CB 3.23Å; D320-P397 WeakPolarHBondContact OD2-CB 3.43Å; D320-S398 WeakPolarHBondContact OD1-CB 3.22Å; D320-S398 PolarHBondContact OD2-N 3.28Å; D320-R399 VanDerWaalsContact OD2-CB 3.22Å; D320-R399 WeakPolarHBondContact OD2-CB 3.31Å; D320-R399 WeakPolarHBondContact OD2-CG 3.46Å; D320-R399 PolarHBondContact OD2-N 3.31Å; D320-Q422 WeakPolarHBondContact O-CA 3.25Å; D320-I423 HydrophobicContact CB-CG2 4.42Å; D320-I423 PolarHBondContact N-O 3.49Å; D320-I423 PolarHBondContact O-N 2.93Å; D320-F425 HydrophobicContact CB-CE2 4.43Å |
| 321 | N | 94 | Very high | 94.5 | Very high | 63 Ų | 63 | 40.3 Ų | 40.3 | 34% | 0.337 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 143.5 | -179.2 | -62.9 | -11.7 | 0 | 0 | 0 | 110.2 | P397 S398 E421 Q422 | N321-P397 CarbonylContact O-C 3.51Å; N321-P397 WeakPolarHBondContact O-CA 3.3Å; N321-S398 WeakPolarHBondContact O-CB 3.37Å; N321-S398 PolarHBondContact O-N 3.16Å; N321-E421 WeakPolarHBondContact CA-O 3.35Å; N321-Q422 WeakPolarHBondContact OD1-CG 3.44Å; N321-Q422 PolarHBondContact OD1-NE2 2.83Å |
| 322 | M | 93.8 | Very high | 94.5 | Very high | 12 Ų | 12 | 39.7 Ų | 39.7 | 6% | 0.059 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 140.6 | 173.7 | -57.6 | -55 | -65.5 | 0 | 0 | 110.6 | L360 I395 P397 L418 E421 I423 | M322-L360 HydrophobicContact CE-CD2 4.3Å; M322-L360 HydrophobicContact CG-CD1 4.31Å; M322-L360 HydrophobicContact CG-CD2 4.32Å; M322-L360 HydrophobicContact SD-CD2 4.15Å; M322-I395 HydrophobicContact CB-CG2 4.22Å; M322-I395 HydrophobicContact CE-CG2 3.55Å; M322-P397 HydrophobicContact CE-CG 4.32Å; M322-P397 HydrophobicContact SD-CB 4.18Å; M322-P397 HydrophobicContact SD-CG 3.99Å; M322-L418 HydrophobicContact CB-CD1 3.89Å; M322-L418 HydrophobicContact CB-CG 3.98Å; M322-E421 HydrophobicContact CB-CB 4.07Å; M322-E421 HydrophobicContact CG-CB 3.9Å; M322-E421 PolarHBondContact N-O 3.06Å; M322-I423 HydrophobicContact SD-CB 4.36Å; M322-I423 HydrophobicContact SD-CG2 3.89Å |
| 323 | V | 94.6 | Very high | 94.2 | Very high | 5 Ų | 5 | 41.2 Ų | 41.2 | 3% | 0.03 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 147.9 | 177.4 | -64 | 0 | 0 | 0 | 0 | 110.6 | I325 I395 I396 K412 | V323-I325 HydrophobicContact CG2-CG2 3.97Å; V323-I395 WeakPolarHBondContact O-CA 3.34Å; V323-I396 HydrophobicContact CG2-CG1 4.29Å; V323-I396 VanDerWaalsContact CG2-O 3.24Å; V323-I396 WeakPolarHBondContact CG2-O 3.32Å; V323-I396 PolarHBondContact N-O 2.83Å; V323-I396 PolarHBondContact O-N 2.84Å; V323-K412 HydrophobicContact CB-CD 4.4Å; V323-K412 HydrophobicContact CG1-CD 4.19Å |
| 324 | L | 94.1 | Very high | 93.7 | Very high | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.016 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 126 | 173 | -169.6 | 60.6 | 0 | 0 | 0 | 108.2 | I342 F368 L393 I395 K412 L413 F415 L418 | L324-I342 HydrophobicContact CD2-CG2 3.89Å; L324-F368 HydrophobicContact CD2-CE1 4.42Å; L324-F368 HydrophobicContact CD2-CZ 4.15Å; L324-L393 HydrophobicContact CD1-CB 3.96Å; L324-L393 HydrophobicContact CD1-CD1 4.3Å; L324-L393 HydrophobicContact CD2-CD1 4.17Å; L324-L393 HydrophobicContact CG-CD1 4.39Å; L324-I395 HydrophobicContact CD1-CD1 4.48Å; L324-I395 HydrophobicContact CD1-CG1 3.69Å; L324-K412 WeakPolarHBondContact O-CA 3.36Å; L324-L413 HydrophobicContact CB-CB 4.41Å; L324-L413 HydrophobicContact CD2-CB 4.23Å; L324-L413 HydrophobicContact CD2-CD2 3.82Å; L324-L413 HydrophobicContact CD2-CG 4.35Å; L324-L413 HydrophobicContact CG-CB 4.17Å; L324-L413 HydrophobicContact CG-CD2 4.38Å; L324-L413 PolarHBondContact O-N 3.45Å; L324-F415 HydrophobicContact CB-CB 4.41Å; L324-F415 HydrophobicContact CD2-CB 4.04Å; L324-F415 HydrophobicContact CD2-CD2 4.4Å; L324-F415 HydrophobicContact CD2-CG 4.32Å; L324-L418 HydrophobicContact CB-CD2 3.8Å |
| 325 | I | 95.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 150.2 | -177.1 | 63.3 | 155.3 | 0 | 0 | 0 | 111.3 | V323 V387 L393 A394 I396 Y401 L410 E411 | V323-I325 HydrophobicContact CG2-CG2 3.97Å; I325-V387 HydrophobicContact CD1-CG1 4.25Å; I325-V387 HydrophobicContact CG1-CG1 4.38Å; I325-L393 WeakPolarHBondContact O-CA 3.23Å; I325-A394 HydrophobicContact CD1-CB 4.27Å; I325-A394 HydrophobicContact CG1-CB 3.94Å; I325-A394 VanDerWaalsContact CG1-O 3.24Å; I325-A394 WeakPolarHBondContact CG1-O 3.35Å; I325-A394 PolarHBondContact N-O 3.17Å; I325-A394 PolarHBondContact O-N 3.09Å; I325-I396 HydrophobicContact CD1-CD1 3.57Å; I325-I396 HydrophobicContact CD1-CG1 3.96Å; I325-I396 HydrophobicContact CG1-CD1 4.27Å; I325-I396 HydrophobicContact CG1-CG1 4.12Å; I325-I396 HydrophobicContact CG2-CD1 4.24Å; I325-I396 HydrophobicContact CG2-CG1 3.99Å; I325-Y401 HydrophobicContact CG2-CD2 3.58Å; I325-Y401 HydrophobicContact CG2-CE2 4.38Å; I325-Y401 HydrophobicContact CG2-CG 4.18Å; I325-L410 HydrophobicContact CD1-CD1 4.18Å; I325-L410 HydrophobicContact CD1-CD2 4.23Å; I325-E411 WeakPolarHBondContact CA-O 3.18Å |
| 326 | C | 96.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 172.8 | 173.3 | 63.1 | 0 | 0 | 0 | 0 | 109.6 | N330 L393 L410 E411 | C326-N330 HydrophobicContact CB-CB 3.75Å; C326-L393 HydrophobicContact CB-CD2 3.55Å; C326-L410 WeakPolarHBondContact O-CA 3.49Å; C326-E411 PolarHBondContact N-O 3.33Å; C326-E411 PolarHBondContact O-N 3.43Å |
| 327 | R | 97.2 | Very high | 89.8 | Confident | 64 Ų | 64 | 50.9 Ų | 50.9 | 24% | 0.242 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 157.2 | 166.6 | 64.7 | 171.8 | -176.4 | 79 | -0.5 | 111.9 | G329 N330 V387 S390 D391 P409 | R327-G329 PolarHBondContact NH1-O 3.29Å; R327-N330 HydrophobicContact CG-CB 4.02Å; R327-N330 VanDerWaalsContact O-CB 3.27Å; R327-N330 WeakPolarHBondContact O-CB 3.13Å; R327-N330 PolarHBondContact O-N 2.94Å; R327-V387 WeakPolarHBondContact CB-O 3.22Å; R327-S390 WeakPolarHBondContact CD-O 3.45Å; R327-S390 VanDerWaalsContact CG-O 3.28Å; R327-S390 WeakPolarHBondContact CG-O 3.4Å; R327-D391 IonicContact CZ-OD1 3.09Å; R327-D391 IonicContact NE-OD1 2.74Å; R327-D391 PolarHBondContact NE-OD1 2.83Å; R327-D391 IonicContact NH2-OD1 2.66Å; R327-D391 PolarHBondContact NH2-OD1 2.88Å; R327-P409 CarbonylContact C-O 3.57Å; R327-P409 WeakPolarHBondContact CA-O 3.24Å |
| 328 | E | 96 | Very high | 88.8 | Confident | 121 Ų | 121 | 53 Ų | 53 | 57% | 0.565 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | 136.5 | 166.4 | -172 | 178.2 | 175.8 | 0 | 0 | 110.7 | N330 P409 E411 | E328-N330 PolarHBondContact O-N 3.32Å; E328-P409 HydrophobicContact CB-CB 3.81Å; E328-P409 PolarHBondContact N-O 3.39Å; E328-P409 WeakPolarHBondContact OE2-CB 3.39Å; E328-E411 WeakPolarHBondContact CA-OE1 3.22Å; E328-E411 HydrophobicContact CB-CG 4.41Å; E328-E411 WeakPolarHBondContact CG-OE1 3.41Å |
| 329 | G | 93.1 | Very high | 87.8 | Confident | 52 Ų | 52 | 57.8 Ų | 57.8 | 54% | 0.536 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.5 | 25 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | R327 E411 | R327-G329 PolarHBondContact NH1-O 3.29Å; G329-E411 PolarHBondContact N-OE1 2.87Å |
| 330 | N | 94 | Very high | 87.2 | Confident | 5 Ų | 5 | 62 Ų | 62 | 3% | 0.027 | 33% | 0.327 | C | S | . | . | trans | -60.7 | 135.8 | 169.6 | -176.2 | -68.3 | 0 | 0 | 0 | 109.8 | C326 R327 E328 L332 L333 D391 | C326-N330 HydrophobicContact CB-CB 3.75Å; R327-N330 HydrophobicContact CG-CB 4.02Å; R327-N330 VanDerWaalsContact O-CB 3.27Å; R327-N330 WeakPolarHBondContact O-CB 3.13Å; R327-N330 PolarHBondContact O-N 2.94Å; E328-N330 PolarHBondContact O-N 3.32Å; N330-L332 PolarHBondContact O-N 3.12Å; N330-L332 VanDerWaalsContact O-N 3.11Å; N330-L332 VanDerWaalsContact OD1-CB 3.22Å; N330-L332 WeakPolarHBondContact OD1-CB 3.37Å; N330-L332 VanDerWaalsContact OD1-CG 3.3Å; N330-L332 WeakPolarHBondContact OD1-CG 3.2Å; N330-L332 PolarHBondContact OD1-N 2.9Å; N330-L333 HydrophobicContact CB-CD1 4.26Å; N330-L333 HydrophobicContact CB-CG 4.36Å; N330-L333 WeakPolarHBondContact O-CB 3.22Å; N330-L333 PolarHBondContact O-N 3.31Å; N330-D391 PolarHBondContact ND2-O 2.92Å | ||
| 331 | P | 90.2 | Very high | 86.7 | Confident | 74 Ų | 74 | 64.1 Ų | 64.1 | 48% | 0.481 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -55.2 | -31.8 | -177.9 | -26.6 | 35.2 | 0 | 0 | 0 | 114.2 | L333 S334 | P331-L333 PolarHBondContact O-N 3.28Å; P331-S334 PolarHBondContact O-N 3.3Å; P331-S334 PolarHBondContact O-OG 2.95Å |
| 332 | L | 89.2 | Confident | 86.2 | Confident | 19 Ų | 19 | 61.5 Ų | 61.5 | 10% | 0.099 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -66.4 | -21.6 | -179.5 | -58.2 | 174.9 | 0 | 0 | 0 | 112.8 | N330 S334 L335 T341 A345 L393 L413 | N330-L332 PolarHBondContact O-N 3.12Å; N330-L332 VanDerWaalsContact O-N 3.11Å; N330-L332 VanDerWaalsContact OD1-CB 3.22Å; N330-L332 WeakPolarHBondContact OD1-CB 3.37Å; N330-L332 VanDerWaalsContact OD1-CG 3.3Å; N330-L332 WeakPolarHBondContact OD1-CG 3.2Å; N330-L332 PolarHBondContact OD1-N 2.9Å; L332-S334 PolarHBondContact O-N 3.25Å; L332-L335 HydrophobicContact CD2-CD1 3.66Å; L332-L335 PolarHBondContact O-N 3.37Å; L332-L335 VanDerWaalsContact O-N 3.12Å; L332-T341 HydrophobicContact CD2-CG2 3.58Å; L332-A345 HydrophobicContact CD1-CB 3.95Å; L332-L393 HydrophobicContact CD1-CD1 3.83Å; L332-L393 HydrophobicContact CD1-CD2 3.94Å; L332-L393 HydrophobicContact CD1-CG 4.08Å; L332-L413 HydrophobicContact CB-CD1 4.1Å; L332-L413 HydrophobicContact CB-CD2 4.1Å; L332-L413 HydrophobicContact CD1-CD2 4.44Å; L332-L413 WeakPolarHBondContact O-CD1 3.44Å |
| 333 | L | 87.1 | Confident | 85.7 | Confident | 48 Ų | 48 | 62 Ų | 62 | 25% | 0.251 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -62.7 | -24.7 | 175.4 | -69.8 | 166.3 | 0 | 0 | 0 | 112.6 | N330 P331 E411 L413 | N330-L333 HydrophobicContact CB-CD1 4.26Å; N330-L333 HydrophobicContact CB-CG 4.36Å; N330-L333 WeakPolarHBondContact O-CB 3.22Å; N330-L333 PolarHBondContact O-N 3.31Å; P331-L333 PolarHBondContact O-N 3.28Å; L333-E411 HydrophobicContact CD1-CB 4.13Å; L333-E411 HydrophobicContact CD1-CG 4.42Å; L333-E411 HydrophobicContact CD2-CB 4.19Å; L333-L413 HydrophobicContact CD2-CD1 3.94Å; L333-L413 HydrophobicContact CG-CD1 4.39Å |
| 334 | S | 82.5 | Confident | 85.3 | Confident | 98 Ų | 98 | 65.4 Ų | 65.4 | 69% | 0.685 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -88 | -9 | 178.7 | 66.9 | 0 | 0 | 0 | 0 | 113.9 | P331 L332 E336 | P331-S334 PolarHBondContact O-N 3.3Å; P331-S334 PolarHBondContact O-OG 2.95Å; L332-S334 PolarHBondContact O-N 3.25Å; S334-E336 PolarHBondContact O-N 3.26Å |
| 335 | L | 75 | Confident | 85.1 | Confident | 63 Ų | 63 | 65.9 Ų | 65.9 | 33% | 0.33 | 35% | 0.352 | S | S | . | . | trans | -90.8 | 91.3 | 178.2 | -62.3 | 174.5 | 0 | 0 | 0 | 108.7 | L332 D337 D338 T341 | L332-L335 HydrophobicContact CD2-CD1 3.66Å; L332-L335 PolarHBondContact O-N 3.37Å; L332-L335 VanDerWaalsContact O-N 3.12Å; L335-D337 PolarHBondContact O-N 2.86Å; L335-D337 VanDerWaalsContact O-N 3.15Å; L335-D338 HydrophobicContact CB-CB 3.92Å; L335-D338 HydrophobicContact CD1-CB 4.28Å; L335-D338 HydrophobicContact CG-CB 4.49Å; L335-T341 HydrophobicContact CD1-CG2 3.71Å | ||
| 336 | E | 64.6 | Low | 84.9 | Confident | 191 Ų | 191 | 67.1 Ų | 67.1 | 89% | 0.893 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -66.1 | 112.9 | 168.2 | -70.4 | -176.9 | 174.7 | 0 | 0 | 108.8 | S334 D338 | S334-E336 PolarHBondContact O-N 3.26Å; E336-D338 PolarHBondContact O-N 3.49Å |
| 337 | D | 64 | Low | 84.9 | Confident | 158 Ų | 158 | 67.3 Ų | 67.3 | 85% | 0.845 | 36% | 0.363 | S | S | * | . | S | Bend | trans | 71.1 | 14.5 | 168.5 | -130 | 7.9 | 0 | 0 | 0 | 117.3 | L335 R339 | L335-D337 PolarHBondContact O-N 2.86Å; L335-D337 VanDerWaalsContact O-N 3.15Å; D337-R339 PolarHBondContact O-N 2.74Å |
| 338 | D | 76.1 | Confident | 84.7 | Confident | 56 Ų | 56 | 64.5 Ų | 64.5 | 30% | 0.299 | 35% | 0.353 | S | S | . | . | trans | -77.9 | 73.7 | 171.8 | -168.7 | -8.2 | 0 | 0 | 0 | 111.5 | L335 E336 E340 T341 I342 | L335-D338 HydrophobicContact CB-CB 3.92Å; L335-D338 HydrophobicContact CD1-CB 4.28Å; L335-D338 HydrophobicContact CG-CB 4.49Å; E336-D338 PolarHBondContact O-N 3.49Å; D338-E340 VanDerWaalsContact C-N 3.26Å; D338-E340 PolarHBondContact O-N 2.79Å; D338-E340 PolarHBondContact OD1-N 3.18Å; D338-T341 VanDerWaalsContact CG-CB 3.43Å; D338-T341 PolarHBondContact O-N 3.18Å; D338-T341 PolarHBondContact OD1-N 3.04Å; D338-T341 PolarHBondContact OD1-OG1 2.77Å; D338-T341 VanDerWaalsContact OD2-CB 3.22Å; D338-T341 WeakPolarHBondContact OD2-CB 3.2Å; D338-T341 PolarHBondContact OD2-OG1 3.46Å; D338-I342 WeakPolarHBondContact O-CG1 3.38Å; D338-I342 PolarHBondContact O-N 3.28Å; D338-I342 VanDerWaalsContact O-N 3.13Å | ||
| 339 | R | 76.4 | Confident | 84.5 | Confident | 113 Ų | 113 | 60.8 Ų | 60.8 | 43% | 0.426 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.3 | -35.1 | -179.6 | -172.3 | 168.4 | -178.2 | 159.5 | 2.7 | 112.5 | D337 I342 D343 F415 | D337-R339 PolarHBondContact O-N 2.74Å; R339-I342 PolarHBondContact O-N 2.85Å; R339-D343 VanDerWaalsContact O-CB 3.27Å; R339-D343 WeakPolarHBondContact O-CB 3.33Å; R339-D343 PolarHBondContact O-N 3.41Å; R339-F415 HydrophobicContact CG-CE2 4.2Å |
| 340 | E | 82 | Confident | 84.3 | Confident | 145 Ų | 145 | 60.5 Ų | 60.5 | 68% | 0.678 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -65.5 | -42.9 | 179.3 | -172.3 | 176 | -176.3 | 0 | 0 | 111 | D338 D343 N344 | D338-E340 VanDerWaalsContact C-N 3.26Å; D338-E340 PolarHBondContact O-N 2.79Å; D338-E340 PolarHBondContact OD1-N 3.18Å; E340-D343 PolarHBondContact O-N 3.4Å; E340-N344 WeakPolarHBondContact O-CB 3.38Å; E340-N344 PolarHBondContact O-N 3.43Å; E340-N344 PolarHBondContact O-ND2 3.27Å |
| 341 | T | 84.5 | Confident | 83.8 | Confident | 57 Ų | 57 | 64.3 Ų | 64.3 | 35% | 0.35 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -68.2 | -37.1 | 176.7 | -62.6 | 0 | 0 | 0 | 0 | 112.2 | L332 L335 D338 A345 | L332-T341 HydrophobicContact CD2-CG2 3.58Å; L335-T341 HydrophobicContact CD1-CG2 3.71Å; D338-T341 VanDerWaalsContact CG-CB 3.43Å; D338-T341 PolarHBondContact O-N 3.18Å; D338-T341 PolarHBondContact OD1-N 3.04Å; D338-T341 PolarHBondContact OD1-OG1 2.77Å; D338-T341 VanDerWaalsContact OD2-CB 3.22Å; D338-T341 WeakPolarHBondContact OD2-CB 3.2Å; D338-T341 PolarHBondContact OD2-OG1 3.46Å; T341-A345 PolarHBondContact O-N 3.3Å |
| 342 | I | 84.7 | Confident | 83.2 | Confident | 8 Ų | 8 | 62 Ų | 62 | 4% | 0.041 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66 | -44.4 | 174.5 | -62.8 | 172.7 | 0 | 0 | 0 | 110.6 | L324 D338 R339 N344 A345 F368 L393 L413 F415 | L324-I342 HydrophobicContact CD2-CG2 3.89Å; D338-I342 WeakPolarHBondContact O-CG1 3.38Å; D338-I342 PolarHBondContact O-N 3.28Å; D338-I342 VanDerWaalsContact O-N 3.13Å; R339-I342 PolarHBondContact O-N 2.85Å; I342-N344 VanDerWaalsContact C-N 3.26Å; I342-N344 PolarHBondContact O-N 3.03Å; I342-A345 VanDerWaalsContact O-CB 3.22Å; I342-A345 WeakPolarHBondContact O-CB 3.18Å; I342-A345 PolarHBondContact O-N 3.03Å; I342-A345 VanDerWaalsContact O-N 3.09Å; I342-F368 HydrophobicContact CG2-CE1 3.93Å; I342-L393 HydrophobicContact CG2-CD1 4.04Å; I342-L413 HydrophobicContact CD1-CD2 3.98Å; I342-L413 HydrophobicContact CD1-CG 4.41Å; I342-L413 HydrophobicContact CG1-CD2 4.07Å; I342-L413 HydrophobicContact CG2-CD2 4.24Å; I342-F415 HydrophobicContact CD1-CD2 4.39Å; I342-F415 HydrophobicContact CG2-CD2 4.25Å; I342-F415 HydrophobicContact CG2-CE2 4.26Å |
| 343 | D | 82.3 | Confident | 82.2 | Confident | 22 Ų | 22 | 69.6 Ų | 69.6 | 12% | 0.118 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.1 | -31.9 | -179 | -74 | -2.9 | 0 | 0 | 0 | 111.9 | R339 E340 F368 D370 R371 | R339-D343 VanDerWaalsContact O-CB 3.27Å; R339-D343 WeakPolarHBondContact O-CB 3.33Å; R339-D343 PolarHBondContact O-N 3.41Å; E340-D343 PolarHBondContact O-N 3.4Å; D343-F368 WeakPolarHBondContact OD1-CD1 3.47Å; D343-D370 CarbonylContact O-C 3.28Å; D343-R371 WeakPolarHBondContact O-CA 3.16Å; D343-R371 WeakPolarHBondContact O-CB 3.44Å; D343-R371 PolarHBondContact O-N 2.59Å |
| 344 | N | 86.8 | Confident | 81.1 | Confident | 77 Ų | 77 | 72 Ų | 72 | 41% | 0.412 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -2.5 | 176.2 | -73.9 | -70.7 | 0 | 0 | 0 | 114.2 | E340 I342 | E340-N344 WeakPolarHBondContact O-CB 3.38Å; E340-N344 PolarHBondContact O-N 3.43Å; E340-N344 PolarHBondContact O-ND2 3.27Å; I342-N344 VanDerWaalsContact C-N 3.26Å; I342-N344 PolarHBondContact O-N 3.03Å |
| 345 | A | 88.7 | Confident | 80.1 | Confident | 13 Ų | 13 | 68.8 Ų | 68.8 | 11% | 0.107 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -65.9 | 161.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L332 T341 I342 H347 Q372 L393 | L332-A345 HydrophobicContact CD1-CB 3.95Å; T341-A345 PolarHBondContact O-N 3.3Å; I342-A345 VanDerWaalsContact O-CB 3.22Å; I342-A345 WeakPolarHBondContact O-CB 3.18Å; I342-A345 PolarHBondContact O-N 3.03Å; I342-A345 VanDerWaalsContact O-N 3.09Å; A345-H347 PolarHBondContact O-CD2 2.92Å; A345-Q372 PolarHBondContact O-N 3.01Å; A345-L393 HydrophobicContact CB-CD1 3.83Å; A345-L393 HydrophobicContact CB-CG 4.26Å |
| 346 | A | 93.3 | Very high | 79.2 | Confident | 26 Ų | 26 | 71.8 Ų | 71.8 | 22% | 0.215 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 129.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q372 N374 M392 L393 | A346-Q372 CarbonylContact C-O 3.54Å; A346-Q372 WeakPolarHBondContact CA-O 3.45Å; A346-N374 HydrophobicContact CB-CB 4.48Å; A346-N374 WeakPolarHBondContact CB-ND2 3.26Å; A346-M392 HydrophobicContact CB-CG 3.84Å; A346-M392 CarbonylContact O-C 3.35Å; A346-M392 WeakPolarHBondContact O-CA 3.45Å; A346-M392 WeakPolarHBondContact O-CB 3.43Å; A346-L393 PolarHBondContact O-N 2.91Å |
| 347 | H | 94.4 | Very high | 78.9 | Confident | 3 Ų | 3 | 64.5 Ų | 64.5 | 1% | 0.014 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 149.5 | -178.9 | -79.5 | -125.1 | 0 | 0 | 0 | 112 | A345 Q372 I373 N374 L393 | A345-H347 PolarHBondContact O-CD2 2.92Å; H347-Q372 PolarHBondContact N-O 3.1Å; H347-I373 HydrophobicContact CB-CD1 3.75Å; H347-N374 PolarHBondContact O-N 3.01Å; H347-L393 CarbonylContact C-O 3.51Å; H347-L393 VanDerWaalsContact CA-O 3.28Å; H347-L393 WeakPolarHBondContact CA-O 3.48Å |
| 348 | V | 94.2 | Very high | 78.8 | Confident | 6 Ų | 6 | 61.4 Ų | 61.4 | 4% | 0.036 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 128.5 | 163.8 | -173.5 | 0 | 0 | 0 | 0 | 108.8 | F375 I383 L386 V387 M392 L393 A394 | V348-F375 WeakPolarHBondContact CA-O 3.3Å; V348-F375 HydrophobicContact CG1-CB 4.24Å; V348-F375 HydrophobicContact CG1-CD1 4.09Å; V348-F375 HydrophobicContact CG2-CB 4.32Å; V348-I383 HydrophobicContact CB-CG2 4.15Å; V348-I383 HydrophobicContact CG1-CB 4.24Å; V348-I383 HydrophobicContact CG1-CD1 4.2Å; V348-I383 HydrophobicContact CG1-CG1 3.77Å; V348-I383 HydrophobicContact CG1-CG2 3.89Å; V348-L386 HydrophobicContact CG1-CD2 4.29Å; V348-L386 HydrophobicContact CG2-CD2 3.9Å; V348-L386 HydrophobicContact CG2-CG 4.38Å; V348-V387 HydrophobicContact CG2-CG2 4.18Å; V348-M392 HydrophobicContact CG2-CB 3.9Å; V348-M392 HydrophobicContact CG2-CE 3.74Å; V348-M392 HydrophobicContact CG2-CG 4.45Å; V348-M392 HydrophobicContact CG2-SD 3.73Å; V348-L393 PolarHBondContact N-O 3.26Å; V348-A394 HydrophobicContact CB-CB 4.47Å |
| 349 | L | 90.8 | Very high | 78.8 | Confident | 42 Ų | 42 | 60 Ų | 60 | 22% | 0.22 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 129 | -178.4 | 178.7 | 66.3 | 0 | 0 | 0 | 111.9 | L351 I373 F375 T376 S377 | L349-L351 PolarHBondContact O-N 3Å; L349-I373 HydrophobicContact CB-CD1 4.04Å; L349-I373 HydrophobicContact CB-CG1 4.47Å; L349-I373 HydrophobicContact CB-CG2 3.77Å; L349-I373 HydrophobicContact CD2-CG2 4.41Å; L349-F375 PolarHBondContact N-O 2.83Å; L349-T376 HydrophobicContact CB-CG2 4.24Å; L349-T376 HydrophobicContact CD2-CG2 4.49Å; L349-T376 WeakPolarHBondContact O-CA 3.35Å; L349-S377 PolarHBondContact O-N 3.03Å |
| 350 | L | 88.8 | Confident | 79 | Confident | 47 Ų | 47 | 55.7 Ų | 55.7 | 25% | 0.246 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 118 | 169 | -175.4 | 64.9 | 0 | 0 | 0 | 110.2 | P352 S377 I380 I383 | L350-P352 HydrophobicContact CG-CG 4.28Å; L350-S377 CarbonylContact C-O 3.59Å; L350-S377 WeakPolarHBondContact CA-O 3.45Å; L350-S377 WeakPolarHBondContact CD1-O 3.33Å; L350-I380 HydrophobicContact CD1-CB 4.24Å; L350-I380 HydrophobicContact CD2-CD1 4.44Å; L350-I383 HydrophobicContact CB-CD1 3.59Å; L350-I383 HydrophobicContact CD1-CD1 3.68Å; L350-I383 HydrophobicContact CG-CD1 4.2Å |
| 351 | L | 85.2 | Confident | 79.1 | Confident | 85 Ų | 85 | 52.2 Ų | 52.2 | 45% | 0.445 | 28% | 0.284 | S | S | . | . | trans | -125.5 | 82.1 | 177.8 | -163.8 | 72 | 0 | 0 | 0 | 110 | L349 S377 Y378 | L349-L351 PolarHBondContact O-N 3Å; L351-S377 PolarHBondContact N-O 3.5Å; L351-Y378 VanDerWaalsContact O-CA 3.27Å; L351-Y378 WeakPolarHBondContact O-CA 3.35Å; L351-Y378 VanDerWaalsContact O-CB 3.31Å; L351-Y378 WeakPolarHBondContact O-CB 3.33Å | ||
| 352 | P | 76.1 | Confident | 79 | Confident | 24 Ų | 24 | 55 Ų | 55 | 16% | 0.156 | 29% | 0.293 | C | S | . | . | trans | -68.2 | 148.3 | 176.5 | 0.8 | 12.3 | 0 | 0 | 0 | 111.1 | L350 Q355 F357 | L350-P352 HydrophobicContact CG-CG 4.28Å; P352-Q355 HydrophobicContact CB-CB 4.14Å; P352-Q355 HydrophobicContact CB-CG 4.06Å; P352-Q355 HydrophobicContact CG-CB 4.07Å; P352-Q355 HydrophobicContact CG-CG 4.3Å; P352-F357 HydrophobicContact CG-CE2 4.39Å | ||
| 353 | E | 69.6 | Low | 79.1 | Confident | 179 Ų | 179 | 59.2 Ų | 59.2 | 84% | 0.836 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -41 | -176.8 | -71.3 | -175.4 | 161.2 | 0 | 0 | 113.6 | ||
| 354 | E | 62.8 | Low | 79.4 | Confident | 99 Ų | 99 | 58.8 Ų | 58.8 | 46% | 0.463 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | 18 | -167.8 | -62.4 | -155.6 | 138.3 | 0 | 0 | 115.7 | ||
| 355 | Q | 62.1 | Low | 79.4 | Confident | 31 Ų | 31 | 59.3 Ų | 59.3 | 15% | 0.145 | 31% | 0.306 | C | S | . | . | trans | -111.2 | 122.6 | -169.3 | -67.3 | -178.4 | -7.8 | 0 | 0 | 114.9 | D303 N304 M305 P352 F357 | D303-Q355 PolarHBondContact OD1-NE2 3.03Å; N304-Q355 VanDerWaalsContact OD1-CD 3.25Å; N304-Q355 PolarHBondContact OD1-NE2 2.83Å; N304-Q355 PolarHBondContact OD1-OE1 3.34Å; M305-Q355 HydrophobicContact CB-CG 4.41Å; P352-Q355 HydrophobicContact CB-CB 4.14Å; P352-Q355 HydrophobicContact CB-CG 4.06Å; P352-Q355 HydrophobicContact CG-CB 4.07Å; P352-Q355 HydrophobicContact CG-CG 4.3Å; Q355-F357 VanDerWaalsContact C-N 3.26Å; Q355-F357 HydrophobicContact CB-CD2 4Å; Q355-F357 HydrophobicContact CB-CE2 3.92Å; Q355-F357 HydrophobicContact CB-CZ 4.32Å; Q355-F357 HydrophobicContact CG-CE2 4.37Å; Q355-F357 PolarHBondContact O-N 3.04Å; Q355-F357 VanDerWaalsContact OE1-CZ 3.23Å | ||
| 356 | N | 55.5 | Low | 79.4 | Confident | 125 Ų | 125 | 64.6 Ų | 64.6 | 67% | 0.668 | 33% | 0.329 | S | S | * | . | trans | -79.7 | 58 | 172.4 | -80.1 | -32.1 | 0 | 0 | 0 | 112.4 | S358 | N356-S358 PolarHBondContact O-N 3.35Š| ||
| 357 | F | 58.5 | Low | 79.1 | Confident | 38 Ų | 38 | 64.8 Ų | 64.8 | 17% | 0.167 | 33% | 0.326 | C | S | . | . | trans | -80 | 46.7 | 168 | -64 | -49.5 | 0 | 0 | 0 | 112.8 | N304 P352 Q355 G359 R361 I423 | N304-F357 HydrophobicContact CB-CZ 4.24Å; N304-F357 VanDerWaalsContact CG-CZ 3.48Å; N304-F357 WeakPolarHBondContact ND2-CZ 3.38Å; N304-F357 WeakPolarHBondContact OD1-CZ 3.36Å; P352-F357 HydrophobicContact CG-CE2 4.39Å; Q355-F357 VanDerWaalsContact C-N 3.26Å; Q355-F357 HydrophobicContact CB-CD2 4Å; Q355-F357 HydrophobicContact CB-CE2 3.92Å; Q355-F357 HydrophobicContact CB-CZ 4.32Å; Q355-F357 HydrophobicContact CG-CE2 4.37Å; Q355-F357 PolarHBondContact O-N 3.04Å; Q355-F357 VanDerWaalsContact OE1-CZ 3.23Å; F357-G359 VanDerWaalsContact C-N 3.25Å; F357-G359 PolarHBondContact O-N 3.34Å; F357-R361 WeakPolarHBondContact O-CB 3.31Å; F357-R361 PolarHBondContact O-N 3.35Å; F357-R361 VanDerWaalsContact O-N 3.12Å; F357-I423 HydrophobicContact CD1-CD1 4.4Å; F357-I423 HydrophobicContact CE1-CD1 3.54Å; F357-I423 HydrophobicContact CE1-CG1 4.31Å; F357-I423 HydrophobicContact CE2-CD1 4.27Å; F357-I423 HydrophobicContact CZ-CD1 3.5Å | ||
| 358 | S | 62 | Low | 78.8 | Confident | 93 Ų | 93 | 64.6 Ų | 64.6 | 65% | 0.65 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -59 | -43.4 | 176.5 | 57.1 | 0 | 0 | 0 | 0 | 110.5 | N356 Q362 | N356-S358 PolarHBondContact O-N 3.35Å; S358-Q362 WeakPolarHBondContact O-CB 3.43Å; S358-Q362 PolarHBondContact O-N 3.47Å |
| 359 | G | 75.3 | Confident | 78.4 | Confident | 28 Ų | 28 | 67.5 Ų | 67.5 | 29% | 0.289 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66.8 | -58.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | F357 R361 Q362 R363 | F357-G359 VanDerWaalsContact C-N 3.25Å; F357-G359 PolarHBondContact O-N 3.34Å; G359-R361 VanDerWaalsContact C-N 3.33Å; G359-R361 PolarHBondContact O-N 2.98Å; G359-Q362 PolarHBondContact O-N 2.98Å; G359-R363 PolarHBondContact O-N 3.39Å |
| 360 | L | 82.4 | Confident | 78.2 | Confident | 21 Ų | 21 | 70.6 Ų | 70.6 | 11% | 0.11 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.4 | -41 | -178.7 | 178.3 | 62.5 | 0 | 0 | 0 | 111.3 | M322 Q362 R363 V364 E421 I423 | M322-L360 HydrophobicContact CE-CD2 4.3Å; M322-L360 HydrophobicContact CG-CD1 4.31Å; M322-L360 HydrophobicContact CG-CD2 4.32Å; M322-L360 HydrophobicContact SD-CD2 4.15Å; L360-Q362 VanDerWaalsContact C-N 3.33Å; L360-Q362 PolarHBondContact O-N 3.4Å; L360-R363 PolarHBondContact O-N 3.03Å; L360-V364 HydrophobicContact CD1-CG2 3.91Å; L360-V364 HydrophobicContact CG-CG2 4.24Å; L360-V364 VanDerWaalsContact O-CB 3.23Å; L360-V364 WeakPolarHBondContact O-CB 3.5Å; L360-V364 VanDerWaalsContact O-CG2 3.22Å; L360-V364 WeakPolarHBondContact O-CG2 2.96Å; L360-V364 PolarHBondContact O-N 3.38Å; L360-E421 HydrophobicContact CD1-CB 3.93Å; L360-E421 HydrophobicContact CD1-CG 4.19Å; L360-E421 WeakPolarHBondContact CD1-OE2 3.45Å; L360-I423 HydrophobicContact CD2-CD1 4.23Å |
| 361 | R | 82.3 | Confident | 78.3 | Confident | 72 Ų | 72 | 69.4 Ų | 69.4 | 27% | 0.272 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.2 | -38.9 | 178.3 | -166 | -170.2 | -41 | -85.5 | 2.2 | 111.8 | F357 G359 Q365 | F357-R361 WeakPolarHBondContact O-CB 3.31Å; F357-R361 PolarHBondContact O-N 3.35Å; F357-R361 VanDerWaalsContact O-N 3.12Å; G359-R361 VanDerWaalsContact C-N 3.33Å; G359-R361 PolarHBondContact O-N 2.98Å; R361-Q365 WeakPolarHBondContact O-CB 3.17Å; R361-Q365 PolarHBondContact O-N 3.37Å |
| 362 | Q | 84.3 | Confident | 78.5 | Confident | 116 Ų | 116 | 70.9 Ų | 70.9 | 54% | 0.542 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.3 | -50.9 | 174.9 | -178.7 | -177 | -12.6 | 0 | 0 | 111 | S358 G359 L360 V364 Q365 E366 | S358-Q362 WeakPolarHBondContact O-CB 3.43Å; S358-Q362 PolarHBondContact O-N 3.47Å; G359-Q362 PolarHBondContact O-N 2.98Å; L360-Q362 VanDerWaalsContact C-N 3.33Å; L360-Q362 PolarHBondContact O-N 3.4Å; Q362-V364 VanDerWaalsContact C-N 3.31Å; Q362-V364 PolarHBondContact O-N 3.26Å; Q362-Q365 CarbonylContact O-C 3.58Å; Q362-Q365 WeakPolarHBondContact O-CA 3.27Å; Q362-Q365 WeakPolarHBondContact O-CB 3.48Å; Q362-Q365 PolarHBondContact O-N 2.95Å; Q362-E366 WeakPolarHBondContact CG-OE1 3.45Å; Q362-E366 PolarHBondContact NE2-OE1 2.91Å; Q362-E366 WeakPolarHBondContact O-CG 3.23Å; Q362-E366 PolarHBondContact O-N 3.3Å |
| 363 | R | 86.9 | Confident | 79.3 | Confident | 97 Ų | 97 | 72.7 Ų | 72.7 | 37% | 0.366 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.4 | -40 | 178.3 | -67 | -169.4 | -56.9 | -90.4 | 1.4 | 112.3 | G359 L360 Q365 E366 M367 E421 | G359-R363 PolarHBondContact O-N 3.39Å; L360-R363 PolarHBondContact O-N 3.03Å; R363-Q365 VanDerWaalsContact C-N 3.28Å; R363-Q365 PolarHBondContact O-N 3.03Å; R363-E366 WeakPolarHBondContact O-CB 3.37Å; R363-E366 PolarHBondContact O-N 3.42Å; R363-M367 WeakPolarHBondContact O-CG 3.44Å; R363-M367 PolarHBondContact O-N 3.01Å; R363-E421 VanDerWaalsContact CD-OE1 3.32Å; R363-E421 WeakPolarHBondContact CD-OE1 3.35Å; R363-E421 IonicContact CZ-OE2 3.34Å; R363-E421 VanDerWaalsContact NE-CD 3.26Å; R363-E421 IonicContact NE-OE1 2.76Å; R363-E421 PolarHBondContact NE-OE1 3.47Å; R363-E421 IonicContact NE-OE2 3.72Å; R363-E421 PolarHBondContact NE-OE2 3.2Å; R363-E421 IonicContact NH2-OE2 2.68Å; R363-E421 PolarHBondContact NH2-OE2 3.12Å |
| 364 | V | 87 | Confident | 80.4 | Confident | 13 Ų | 13 | 68.9 Ų | 68.9 | 8% | 0.079 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -66.8 | -27 | 174.3 | 165.8 | 0 | 0 | 0 | 0 | 112.3 | L360 Q362 F368 R371 I395 L418 | L360-V364 HydrophobicContact CD1-CG2 3.91Å; L360-V364 HydrophobicContact CG-CG2 4.24Å; L360-V364 VanDerWaalsContact O-CB 3.23Å; L360-V364 WeakPolarHBondContact O-CB 3.5Å; L360-V364 VanDerWaalsContact O-CG2 3.22Å; L360-V364 WeakPolarHBondContact O-CG2 2.96Å; L360-V364 PolarHBondContact O-N 3.38Å; Q362-V364 VanDerWaalsContact C-N 3.31Å; Q362-V364 PolarHBondContact O-N 3.26Å; V364-F368 PolarHBondContact O-N 3.25Å; V364-R371 PolarHBondContact O-NH1 3.11Å; V364-I395 HydrophobicContact CG1-CD1 3.52Å; V364-L418 HydrophobicContact CG2-CD1 4.33Å |
| 365 | Q | 87.1 | Confident | 82 | Confident | 87 Ų | 87 | 68.5 Ų | 68.5 | 41% | 0.407 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -77.3 | -34.8 | 171 | -174.8 | 61.2 | 40.3 | 0 | 0 | 111.8 | R361 Q362 R363 M367 F368 P369 | R361-Q365 WeakPolarHBondContact O-CB 3.17Å; R361-Q365 PolarHBondContact O-N 3.37Å; Q362-Q365 CarbonylContact O-C 3.58Å; Q362-Q365 WeakPolarHBondContact O-CA 3.27Å; Q362-Q365 WeakPolarHBondContact O-CB 3.48Å; Q362-Q365 PolarHBondContact O-N 2.95Å; R363-Q365 VanDerWaalsContact C-N 3.28Å; R363-Q365 PolarHBondContact O-N 3.03Å; Q365-M367 VanDerWaalsContact C-N 3.34Å; Q365-F368 CarbonylContact O-C 3.58Å; Q365-F368 VanDerWaalsContact O-C 3.28Å; Q365-F368 PolarHBondContact O-N 2.89Å; Q365-P369 PolarHBondContact NE2-O 2.94Å; Q365-P369 WeakPolarHBondContact O-CA 3.2Å |
| 366 | E | 88.5 | Confident | 83.4 | Confident | 124 Ų | 124 | 70.7 Ų | 70.7 | 58% | 0.579 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -68 | -33.5 | 174.3 | -69.8 | 167.7 | -173 | 0 | 0 | 111.9 | Q362 R363 | Q362-E366 WeakPolarHBondContact CG-OE1 3.45Å; Q362-E366 PolarHBondContact NE2-OE1 2.91Å; Q362-E366 WeakPolarHBondContact O-CG 3.23Å; Q362-E366 PolarHBondContact O-N 3.3Å; R363-E366 WeakPolarHBondContact O-CB 3.37Å; R363-E366 PolarHBondContact O-N 3.42Å |
| 367 | M | 86.9 | Confident | 85.2 | Confident | 30 Ų | 30 | 65.4 Ų | 65.4 | 15% | 0.148 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -72.2 | -32.9 | 175.9 | -72.1 | -178 | -169.7 | 0 | 0 | 113.8 | R363 Q365 S417 L418 E421 | R363-M367 WeakPolarHBondContact O-CG 3.44Å; R363-M367 PolarHBondContact O-N 3.01Å; Q365-M367 VanDerWaalsContact C-N 3.34Å; M367-S417 WeakPolarHBondContact CE-O 3.44Å; M367-L418 HydrophobicContact SD-CD1 4.24Å; M367-E421 HydrophobicContact CE-CG 3.51Å; M367-E421 VanDerWaalsContact CE-OE1 3.3Å; M367-E421 WeakPolarHBondContact CE-OE1 3.42Å; M367-E421 HydrophobicContact SD-CG 4.32Å |
| 368 | F | 87.7 | Confident | 86.6 | Confident | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -130.2 | 71.2 | -176.9 | -59.1 | -78.8 | 0 | 0 | 0 | 109.4 | L324 I342 D343 V364 Q365 D370 R371 I395 F415 | L324-F368 HydrophobicContact CD2-CE1 4.42Å; L324-F368 HydrophobicContact CD2-CZ 4.15Å; I342-F368 HydrophobicContact CG2-CE1 3.93Å; D343-F368 WeakPolarHBondContact OD1-CD1 3.47Å; V364-F368 PolarHBondContact O-N 3.25Å; Q365-F368 CarbonylContact O-C 3.58Å; Q365-F368 VanDerWaalsContact O-C 3.28Å; Q365-F368 PolarHBondContact O-N 2.89Å; F368-D370 VanDerWaalsContact C-N 3.32Å; F368-D370 PolarHBondContact O-N 2.87Å; F368-R371 HydrophobicContact CB-CB 4.07Å; F368-R371 HydrophobicContact CB-CG 4.08Å; F368-R371 WeakPolarHBondContact O-CG 3.39Å; F368-I395 HydrophobicContact CD2-CD1 3.94Å; F368-I395 HydrophobicContact CE2-CD1 3.62Å; F368-F415 HydrophobicContact CD1-CZ 4.42Å; F368-F415 HydrophobicContact CE1-CD1 4.49Å; F368-F415 HydrophobicContact CE1-CD2 4.23Å; F368-F415 AromaticContact CE1-CE1 3.98Å; F368-F415 HydrophobicContact CE1-CE1 3.98Å; F368-F415 AromaticContact CE1-CE2 3.69Å; F368-F415 HydrophobicContact CE1-CE2 3.69Å; F368-F415 AromaticContact CE1-CZ 3.53Å; F368-F415 HydrophobicContact CE1-CZ 3.53Å; F368-F415 HydrophobicContact CE2-CE1 4.16Å; F368-F415 HydrophobicContact CE2-CZ 4.48Å; F368-F415 AromaticContact CZ-CD1 3.79Å; F368-F415 HydrophobicContact CZ-CD1 3.79Å; F368-F415 HydrophobicContact CZ-CD2 4.23Å; F368-F415 AromaticContact CZ-CE1 3.49Å; F368-F415 HydrophobicContact CZ-CE1 3.49Å; F368-F415 VanDerWaalsContact CZ-CE1 3.49Å; F368-F415 AromaticContact CZ-CE2 3.96Å; F368-F415 HydrophobicContact CZ-CE2 3.96Å; F368-F415 HydrophobicContact CZ-CG 4.13Å; F368-F415 AromaticContact CZ-CZ 3.57Å; F368-F415 HydrophobicContact CZ-CZ 3.57Å |
| 369 | P | 85.9 | Confident | 88 | Confident | 66 Ų | 66 | 68.5 Ų | 68.5 | 43% | 0.429 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -37.2 | -173 | 24.8 | -33.1 | 0 | 0 | 0 | 112.4 | Q365 | Q365-P369 PolarHBondContact NE2-O 2.94Å; Q365-P369 WeakPolarHBondContact O-CA 3.2Å |
| 370 | D | 88 | Confident | 88.8 | Confident | 107 Ų | 107 | 67.6 Ų | 67.6 | 57% | 0.572 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.2 | 6.2 | -170.6 | -60.9 | -50.3 | 0 | 0 | 0 | 114.2 | D343 F368 | D343-D370 CarbonylContact O-C 3.28Å; F368-D370 VanDerWaalsContact C-N 3.32Å; F368-D370 PolarHBondContact O-N 2.87Å |
| 371 | R | 89.7 | Confident | 89.4 | Confident | 22 Ų | 22 | 69.2 Ų | 69.2 | 8% | 0.083 | 33% | 0.333 | C | S | . | . | trans | -61 | 143.6 | -177.5 | 70.5 | 175.9 | 176 | -132.7 | -10.6 | 112.3 | D343 V364 F368 I373 | D343-R371 WeakPolarHBondContact O-CA 3.16Å; D343-R371 WeakPolarHBondContact O-CB 3.44Å; D343-R371 PolarHBondContact O-N 2.59Å; V364-R371 PolarHBondContact O-NH1 3.11Å; F368-R371 HydrophobicContact CB-CB 4.07Å; F368-R371 HydrophobicContact CB-CG 4.08Å; F368-R371 WeakPolarHBondContact O-CG 3.39Å; R371-I373 HydrophobicContact CG-CD1 4.02Å | ||
| 372 | Q | 90.2 | Very high | 90 | Very high | 116 Ų | 116 | 68.7 Ų | 68.7 | 54% | 0.542 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 109.4 | 175.6 | -61 | -165.6 | -10 | 0 | 0 | 110.2 | A345 A346 H347 N374 | A345-Q372 PolarHBondContact O-N 3.01Å; A346-Q372 CarbonylContact C-O 3.54Å; A346-Q372 WeakPolarHBondContact CA-O 3.45Å; H347-Q372 PolarHBondContact N-O 3.1Å; Q372-N374 PolarHBondContact O-N 3.39Å; Q372-N374 PolarHBondContact O-OD1 3.48Å |
| 373 | I | 92.1 | Very high | 90.5 | Very high | 63 Ų | 63 | 63.2 Ų | 63.2 | 32% | 0.323 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 101.1 | 172.9 | -56.7 | -53.3 | 0 | 0 | 0 | 109.1 | H347 L349 R371 T376 | H347-I373 HydrophobicContact CB-CD1 3.75Å; L349-I373 HydrophobicContact CB-CD1 4.04Å; L349-I373 HydrophobicContact CB-CG1 4.47Å; L349-I373 HydrophobicContact CB-CG2 3.77Å; L349-I373 HydrophobicContact CD2-CG2 4.41Å; R371-I373 HydrophobicContact CG-CD1 4.02Å; I373-T376 HydrophobicContact CG2-CG2 3.72Å |
| 374 | N | 94.2 | Very high | 91 | Very high | 98 Ų | 98 | 58.7 Ų | 58.7 | 52% | 0.524 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | -21.2 | -178.2 | -74.2 | 16.2 | 0 | 0 | 0 | 112.8 | A346 H347 Q372 M392 | A346-N374 HydrophobicContact CB-CB 4.48Å; A346-N374 WeakPolarHBondContact CB-ND2 3.26Å; H347-N374 PolarHBondContact O-N 3.01Å; Q372-N374 PolarHBondContact O-N 3.39Å; Q372-N374 PolarHBondContact O-OD1 3.48Å; N374-M392 HydrophobicContact CB-SD 3.88Å |
| 375 | F | 94.8 | Very high | 91.4 | Very high | 91 Ų | 91 | 59.4 Ų | 59.4 | 40% | 0.399 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 143.8 | 179.7 | -161.3 | -89.8 | 0 | 0 | 0 | 111.2 | V348 L349 L386 | V348-F375 WeakPolarHBondContact CA-O 3.3Å; V348-F375 HydrophobicContact CG1-CB 4.24Å; V348-F375 HydrophobicContact CG1-CD1 4.09Å; V348-F375 HydrophobicContact CG2-CB 4.32Å; L349-F375 PolarHBondContact N-O 2.83Å; F375-L386 HydrophobicContact CB-CD2 3.87Å; F375-L386 HydrophobicContact CD1-CD2 3.44Å; F375-L386 VanDerWaalsContact CD1-CD2 3.44Å; F375-L386 HydrophobicContact CD2-CD2 4.07Å; F375-L386 HydrophobicContact CE1-CD2 3.95Å; F375-L386 HydrophobicContact CG-CD2 3.51Å; F375-L386 HydrophobicContact CZ-CD2 4.45Å |
| 376 | T | 93.1 | Very high | 91.9 | Very high | 77 Ų | 77 | 57.6 Ų | 57.6 | 47% | 0.472 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 143.1 | 174.6 | 61.5 | 0 | 0 | 0 | 0 | 109.9 | L349 I373 | L349-T376 HydrophobicContact CB-CG2 4.24Å; L349-T376 HydrophobicContact CD2-CG2 4.49Å; L349-T376 WeakPolarHBondContact O-CA 3.35Å; I373-T376 HydrophobicContact CG2-CG2 3.72Å |
| 377 | S | 92.8 | Very high | 92.4 | Very high | 14 Ų | 14 | 51.7 Ų | 51.7 | 10% | 0.098 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 145.1 | 177.4 | 178.7 | 0 | 0 | 0 | 0 | 110.5 | L349 L350 L351 N379 | L349-S377 PolarHBondContact O-N 3.03Å; L350-S377 CarbonylContact C-O 3.59Å; L350-S377 WeakPolarHBondContact CA-O 3.45Å; L350-S377 WeakPolarHBondContact CD1-O 3.33Å; L351-S377 PolarHBondContact N-O 3.5Å; S377-N379 VanDerWaalsContact C-N 3.33Å; S377-N379 PolarHBondContact OG-N 3.2Å; S377-N379 PolarHBondContact OG-O 3.28Å; S377-N379 VanDerWaalsContact OG-O 3.11Å |
| 378 | Y | 87.7 | Confident | 92.9 | Very high | 160 Ų | 160 | 50.7 Ų | 50.7 | 63% | 0.627 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -81.9 | -16.3 | 168.7 | 71.1 | -87.2 | 0 | 0 | 0 | 112.4 | L351 | L351-Y378 VanDerWaalsContact O-CA 3.27Å; L351-Y378 WeakPolarHBondContact O-CA 3.35Å; L351-Y378 VanDerWaalsContact O-CB 3.31Å; L351-Y378 WeakPolarHBondContact O-CB 3.33Å |
| 379 | N | 91.3 | Very high | 93.3 | Very high | 37 Ų | 37 | 57 Ų | 57 | 20% | 0.198 | 30% | 0.298 | C | S | . | . | trans | -107.8 | 111.6 | -173.4 | -176.7 | -3.2 | 0 | 0 | 0 | 110.9 | S377 L381 T382 I383 | S377-N379 VanDerWaalsContact C-N 3.33Å; S377-N379 PolarHBondContact OG-N 3.2Å; S377-N379 PolarHBondContact OG-O 3.28Å; S377-N379 VanDerWaalsContact OG-O 3.11Å; N379-L381 PolarHBondContact O-N 3.28Å; N379-L381 WeakPolarHBondContact OD1-CB 3.34Å; N379-L381 PolarHBondContact OD1-N 3.44Å; N379-T382 PolarHBondContact ND2-OG1 2.91Å; N379-T382 WeakPolarHBondContact O-CB 3.44Å; N379-T382 PolarHBondContact O-N 2.88Å; N379-T382 VanDerWaalsContact O-N 3.1Å; N379-I383 PolarHBondContact O-N 3Å | ||
| 380 | I | 92.8 | Very high | 93.8 | Very high | 9 Ų | 9 | 55 Ų | 55 | 5% | 0.046 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.3 | -25.2 | -179.6 | -158.9 | 176.7 | 0 | 0 | 0 | 113.2 | S259 L350 I383 A384 I396 F400 F404 | S259-I380 VanDerWaalsContact OG-CG2 3.23Å; S259-I380 WeakPolarHBondContact OG-CG2 3.18Å; L350-I380 HydrophobicContact CD1-CB 4.24Å; L350-I380 HydrophobicContact CD2-CD1 4.44Å; I380-I383 WeakPolarHBondContact O-CB 3.49Å; I380-I383 PolarHBondContact O-N 3.37Å; I380-A384 PolarHBondContact O-N 3.03Å; I380-I396 HydrophobicContact CD1-CB 3.97Å; I380-I396 HydrophobicContact CD1-CG2 3.75Å; I380-I396 HydrophobicContact CG1-CG2 3.79Å; I380-F400 HydrophobicContact CD1-CB 4.23Å; I380-F400 HydrophobicContact CD1-CD1 4.42Å; I380-F400 HydrophobicContact CD1-CG 4.18Å; I380-F404 HydrophobicContact CD1-CE2 4.2Å; I380-F404 HydrophobicContact CG1-CE2 4.04Å; I380-F404 HydrophobicContact CG2-CE2 3.89Å; I380-F404 HydrophobicContact CG2-CZ 3.85Å |
| 381 | L | 94 | Very high | 94 | Very high | 54 Ų | 54 | 54.3 Ų | 54.3 | 28% | 0.283 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66.6 | -40.8 | 173.9 | -67.3 | 166.4 | 0 | 0 | 0 | 110.8 | P258 N379 I383 A384 A385 F404 W408 | P258-L381 HydrophobicContact CB-CD1 4.47Å; N379-L381 PolarHBondContact O-N 3.28Å; N379-L381 WeakPolarHBondContact OD1-CB 3.34Å; N379-L381 PolarHBondContact OD1-N 3.44Å; L381-I383 VanDerWaalsContact C-N 3.29Å; L381-I383 PolarHBondContact O-N 2.81Å; L381-A384 PolarHBondContact O-N 3.2Å; L381-A385 WeakPolarHBondContact O-CB 3.49Å; L381-A385 PolarHBondContact O-N 3.36Å; L381-F404 HydrophobicContact CD2-CD1 4.02Å; L381-F404 HydrophobicContact CD2-CE1 3.39Å; L381-F404 HydrophobicContact CD2-CZ 3.71Å; L381-F404 HydrophobicContact CG-CE1 4.5Å; L381-F404 HydrophobicContact CG-CZ 4.4Å; L381-W408 HydrophobicContact CD2-CH2 4.24Å; L381-W408 HydrophobicContact CD2-CZ3 4.35Å |
| 382 | T | 94.9 | Very high | 94.3 | Very high | 61 Ų | 61 | 54.5 Ų | 54.5 | 37% | 0.374 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.3 | -39.1 | 173.8 | -54.9 | 0 | 0 | 0 | 0 | 110.8 | N379 L386 | N379-T382 PolarHBondContact ND2-OG1 2.91Å; N379-T382 WeakPolarHBondContact O-CB 3.44Å; N379-T382 PolarHBondContact O-N 2.88Å; N379-T382 VanDerWaalsContact O-N 3.1Å; T382-L386 VanDerWaalsContact O-CB 3.22Å; T382-L386 WeakPolarHBondContact O-CB 3.38Å; T382-L386 PolarHBondContact O-N 2.91Å |
| 383 | I | 95.6 | Very high | 94.5 | Very high | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.6 | -49.8 | 175.9 | -61.9 | -177.3 | 0 | 0 | 0 | 110.7 | V348 L350 N379 I380 L381 A385 L386 V387 A394 | V348-I383 HydrophobicContact CB-CG2 4.15Å; V348-I383 HydrophobicContact CG1-CB 4.24Å; V348-I383 HydrophobicContact CG1-CD1 4.2Å; V348-I383 HydrophobicContact CG1-CG1 3.77Å; V348-I383 HydrophobicContact CG1-CG2 3.89Å; L350-I383 HydrophobicContact CB-CD1 3.59Å; L350-I383 HydrophobicContact CD1-CD1 3.68Å; L350-I383 HydrophobicContact CG-CD1 4.2Å; N379-I383 PolarHBondContact O-N 3Å; I380-I383 WeakPolarHBondContact O-CB 3.49Å; I380-I383 PolarHBondContact O-N 3.37Å; L381-I383 VanDerWaalsContact C-N 3.29Å; L381-I383 PolarHBondContact O-N 2.81Å; I383-A385 VanDerWaalsContact C-N 3.34Å; I383-A385 PolarHBondContact O-N 2.87Å; I383-L386 PolarHBondContact O-N 2.98Å; I383-V387 HydrophobicContact CG2-CG2 4.19Å; I383-V387 WeakPolarHBondContact O-CB 3.23Å; I383-V387 VanDerWaalsContact O-CG2 3.31Å; I383-V387 WeakPolarHBondContact O-CG2 3.42Å; I383-V387 PolarHBondContact O-N 3.45Å; I383-A394 HydrophobicContact CG2-CB 3.45Å; I383-A394 VanDerWaalsContact CG2-CB 3.45Å |
| 384 | A | 96.5 | Very high | 94.7 | Very high | 2 Ų | 2 | 46 Ų | 46 | 2% | 0.017 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.1 | -46.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | I380 L381 A388 F404 W408 L410 | I380-A384 PolarHBondContact O-N 3.03Å; L381-A384 PolarHBondContact O-N 3.2Å; A384-A388 WeakPolarHBondContact O-CB 3.39Å; A384-A388 PolarHBondContact O-N 2.91Å; A384-F404 HydrophobicContact CB-CB 4.08Å; A384-F404 HydrophobicContact CB-CD2 3.62Å; A384-F404 HydrophobicContact CB-CE2 4.32Å; A384-F404 HydrophobicContact CB-CG 4.03Å; A384-W408 HydrophobicContact CB-CE3 4.06Å; A384-W408 HydrophobicContact CB-CZ3 4.19Å; A384-L410 HydrophobicContact CB-CD1 4.15Å |
| 385 | A | 96.4 | Very high | 94.7 | Very high | 27 Ų | 27 | 42.6 Ų | 42.6 | 22% | 0.223 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.2 | -40 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L381 I383 N389 W408 | L381-A385 WeakPolarHBondContact O-CB 3.49Å; L381-A385 PolarHBondContact O-N 3.36Å; I383-A385 VanDerWaalsContact C-N 3.34Å; I383-A385 PolarHBondContact O-N 2.87Å; A385-N389 PolarHBondContact O-N 2.76Å; A385-N389 PolarHBondContact O-ND2 2.87Å; A385-W408 HydrophobicContact CB-CZ2 3.89Å |
| 386 | L | 97.3 | Very high | 94.7 | Very high | 50 Ų | 50 | 38.3 Ų | 38.3 | 26% | 0.262 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -69.6 | -44.5 | 179.9 | -178.9 | 61.5 | 0 | 0 | 0 | 112 | V348 F375 T382 I383 A388 N389 S390 M392 | V348-L386 HydrophobicContact CG1-CD2 4.29Å; V348-L386 HydrophobicContact CG2-CD2 3.9Å; V348-L386 HydrophobicContact CG2-CG 4.38Å; F375-L386 HydrophobicContact CB-CD2 3.87Å; F375-L386 HydrophobicContact CD1-CD2 3.44Å; F375-L386 VanDerWaalsContact CD1-CD2 3.44Å; F375-L386 HydrophobicContact CD2-CD2 4.07Å; F375-L386 HydrophobicContact CE1-CD2 3.95Å; F375-L386 HydrophobicContact CG-CD2 3.51Å; F375-L386 HydrophobicContact CZ-CD2 4.45Å; T382-L386 VanDerWaalsContact O-CB 3.22Å; T382-L386 WeakPolarHBondContact O-CB 3.38Å; T382-L386 PolarHBondContact O-N 2.91Å; I383-L386 PolarHBondContact O-N 2.98Å; L386-A388 VanDerWaalsContact C-N 3.33Å; L386-A388 PolarHBondContact O-N 2.74Å; L386-N389 CarbonylContact O-C 3.55Å; L386-N389 PolarHBondContact O-N 2.91Å; L386-N389 VanDerWaalsContact O-N 3.13Å; L386-S390 WeakPolarHBondContact O-CB 3.38Å; L386-S390 PolarHBondContact O-N 3.22Å; L386-S390 PolarHBondContact O-OG 3.04Å; L386-M392 HydrophobicContact CD1-CE 3.91Å; L386-M392 HydrophobicContact CD2-CE 3.73Å; L386-M392 HydrophobicContact CG-CE 3.58Å |
| 387 | V | 97.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.5 | -44.5 | 176.1 | 169.1 | 0 | 0 | 0 | 0 | 110.5 | I325 R327 V348 I383 N389 S390 A394 L410 | I325-V387 HydrophobicContact CD1-CG1 4.25Å; I325-V387 HydrophobicContact CG1-CG1 4.38Å; R327-V387 WeakPolarHBondContact CB-O 3.22Å; V348-V387 HydrophobicContact CG2-CG2 4.18Å; I383-V387 HydrophobicContact CG2-CG2 4.19Å; I383-V387 WeakPolarHBondContact O-CB 3.23Å; I383-V387 VanDerWaalsContact O-CG2 3.31Å; I383-V387 WeakPolarHBondContact O-CG2 3.42Å; I383-V387 PolarHBondContact O-N 3.45Å; V387-N389 PolarHBondContact O-N 2.93Å; V387-S390 PolarHBondContact O-N 3.41Å; V387-S390 VanDerWaalsContact O-N 3.16Å; V387-A394 HydrophobicContact CG2-CB 3.59Å; V387-L410 HydrophobicContact CB-CD2 4.17Å; V387-L410 HydrophobicContact CG1-CD2 3.7Å |
| 388 | A | 97.4 | Very high | 94.9 | Very high | 9 Ų | 9 | 35.3 Ų | 35.3 | 7% | 0.074 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.2 | -18.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | A384 L386 W408 L410 | A384-A388 WeakPolarHBondContact O-CB 3.39Å; A384-A388 PolarHBondContact O-N 2.91Å; L386-A388 VanDerWaalsContact C-N 3.33Å; L386-A388 PolarHBondContact O-N 2.74Å; A388-W408 HydrophobicContact CB-CB 3.62Å; A388-W408 HydrophobicContact CB-CG 4.03Å; A388-L410 HydrophobicContact CB-CD2 3.85Å; A388-L410 HydrophobicContact CB-CG 4.33Å |
| 389 | N | 96.7 | Very high | 95.3 | Very high | 131 Ų | 131 | 31.9 Ų | 31.9 | 70% | 0.701 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -115.9 | 18.7 | -179 | -68.9 | -86.8 | 0 | 0 | 0 | 112.8 | A385 L386 V387 | A385-N389 PolarHBondContact O-N 2.76Å; A385-N389 PolarHBondContact O-ND2 2.87Å; L386-N389 CarbonylContact O-C 3.55Å; L386-N389 PolarHBondContact O-N 2.91Å; L386-N389 VanDerWaalsContact O-N 3.13Å; V387-N389 PolarHBondContact O-N 2.93Å |
| 390 | S | 95.9 | Very high | 95.5 | Very high | 26 Ų | 26 | 30.3 Ų | 30.3 | 18% | 0.182 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -149.7 | 171.9 | 178.6 | 64.3 | 0 | 0 | 0 | 0 | 112.2 | R327 L386 V387 M392 | R327-S390 WeakPolarHBondContact CD-O 3.45Å; R327-S390 VanDerWaalsContact CG-O 3.28Å; R327-S390 WeakPolarHBondContact CG-O 3.4Å; L386-S390 WeakPolarHBondContact O-CB 3.38Å; L386-S390 PolarHBondContact O-N 3.22Å; L386-S390 PolarHBondContact O-OG 3.04Å; V387-S390 PolarHBondContact O-N 3.41Å; V387-S390 VanDerWaalsContact O-N 3.16Å; S390-M392 PolarHBondContact O-N 3.06Å; S390-M392 VanDerWaalsContact OG-CE 3.25Å; S390-M392 WeakPolarHBondContact OG-CE 3.22Å; S390-M392 PolarHBondContact OG-N 3.2Å |
| 391 | D | 93.6 | Very high | 95.6 | Very high | 92 Ų | 92 | 31.7 Ų | 31.7 | 49% | 0.492 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -85.2 | 9.1 | 172.6 | -69.5 | -29.1 | 0 | 0 | 0 | 113.2 | R327 N330 | R327-D391 IonicContact CZ-OD1 3.09Å; R327-D391 IonicContact NE-OD1 2.74Å; R327-D391 PolarHBondContact NE-OD1 2.83Å; R327-D391 IonicContact NH2-OD1 2.66Å; R327-D391 PolarHBondContact NH2-OD1 2.88Å; N330-D391 PolarHBondContact ND2-O 2.92Å |
| 392 | M | 95.4 | Very high | 95.7 | Very high | 26 Ų | 26 | 32.7 Ų | 32.7 | 13% | 0.128 | 18% | 0.176 | C | C | . | . | trans | -77.2 | 155.6 | -179.2 | -64.3 | -175.9 | -74 | 0 | 0 | 112.4 | A346 V348 N374 L386 S390 | A346-M392 HydrophobicContact CB-CG 3.84Å; A346-M392 CarbonylContact O-C 3.35Å; A346-M392 WeakPolarHBondContact O-CA 3.45Å; A346-M392 WeakPolarHBondContact O-CB 3.43Å; V348-M392 HydrophobicContact CG2-CB 3.9Å; V348-M392 HydrophobicContact CG2-CE 3.74Å; V348-M392 HydrophobicContact CG2-CG 4.45Å; V348-M392 HydrophobicContact CG2-SD 3.73Å; N374-M392 HydrophobicContact CB-SD 3.88Å; L386-M392 HydrophobicContact CD1-CE 3.91Å; L386-M392 HydrophobicContact CD2-CE 3.73Å; L386-M392 HydrophobicContact CG-CE 3.58Å; S390-M392 PolarHBondContact O-N 3.06Å; S390-M392 VanDerWaalsContact OG-CE 3.25Å; S390-M392 WeakPolarHBondContact OG-CE 3.22Å; S390-M392 PolarHBondContact OG-N 3.2Å | ||
| 393 | L | 95.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 153.1 | 174.3 | -56.7 | -175.3 | 0 | 0 | 0 | 111.4 | L324 I325 C326 L332 I342 A345 A346 H347 V348 L413 | L324-L393 HydrophobicContact CD1-CB 3.96Å; L324-L393 HydrophobicContact CD1-CD1 4.3Å; L324-L393 HydrophobicContact CD2-CD1 4.17Å; L324-L393 HydrophobicContact CG-CD1 4.39Å; I325-L393 WeakPolarHBondContact O-CA 3.23Å; C326-L393 HydrophobicContact CB-CD2 3.55Å; L332-L393 HydrophobicContact CD1-CD1 3.83Å; L332-L393 HydrophobicContact CD1-CD2 3.94Å; L332-L393 HydrophobicContact CD1-CG 4.08Å; I342-L393 HydrophobicContact CG2-CD1 4.04Å; A345-L393 HydrophobicContact CB-CD1 3.83Å; A345-L393 HydrophobicContact CB-CG 4.26Å; A346-L393 PolarHBondContact O-N 2.91Å; H347-L393 CarbonylContact C-O 3.51Å; H347-L393 VanDerWaalsContact CA-O 3.28Å; H347-L393 WeakPolarHBondContact CA-O 3.48Å; V348-L393 PolarHBondContact N-O 3.26Å; L393-L413 HydrophobicContact CD1-CD2 3.9Å; L393-L413 HydrophobicContact CD2-CD2 4.03Å |
| 394 | A | 95.4 | Very high | 95.8 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.008 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 152 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | I325 V348 I383 V387 | I325-A394 HydrophobicContact CD1-CB 4.27Å; I325-A394 HydrophobicContact CG1-CB 3.94Å; I325-A394 VanDerWaalsContact CG1-O 3.24Å; I325-A394 WeakPolarHBondContact CG1-O 3.35Å; I325-A394 PolarHBondContact N-O 3.17Å; I325-A394 PolarHBondContact O-N 3.09Å; V348-A394 HydrophobicContact CB-CB 4.47Å; I383-A394 HydrophobicContact CG2-CB 3.45Å; I383-A394 VanDerWaalsContact CG2-CB 3.45Å; V387-A394 HydrophobicContact CG2-CB 3.59Å |
| 395 | I | 93.8 | Very high | 95.8 | Very high | 26 Ų | 26 | 34.2 Ų | 34.2 | 13% | 0.133 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 116.7 | 175.9 | -64.6 | 169.3 | 0 | 0 | 0 | 107.8 | M322 V323 L324 V364 F368 L418 | M322-I395 HydrophobicContact CB-CG2 4.22Å; M322-I395 HydrophobicContact CE-CG2 3.55Å; V323-I395 WeakPolarHBondContact O-CA 3.34Å; L324-I395 HydrophobicContact CD1-CD1 4.48Å; L324-I395 HydrophobicContact CD1-CG1 3.69Å; V364-I395 HydrophobicContact CG1-CD1 3.52Å; F368-I395 HydrophobicContact CD2-CD1 3.94Å; F368-I395 HydrophobicContact CE2-CD1 3.62Å; I395-L418 HydrophobicContact CB-CD2 4.49Å; I395-L418 HydrophobicContact CD1-CD1 4.38Å; I395-L418 HydrophobicContact CD1-CD2 4.31Å; I395-L418 HydrophobicContact CG1-CD2 3.92Å; I395-L418 HydrophobicContact CG2-CD1 3.98Å; I395-L418 HydrophobicContact CG2-CD2 3.98Å |
| 396 | I | 94.2 | Very high | 95.7 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 160.8 | -179.7 | 64.5 | 167.1 | 0 | 0 | 0 | 110.8 | V323 I325 I380 F400 F404 | V323-I396 HydrophobicContact CG2-CG1 4.29Å; V323-I396 VanDerWaalsContact CG2-O 3.24Å; V323-I396 WeakPolarHBondContact CG2-O 3.32Å; V323-I396 PolarHBondContact N-O 2.83Å; V323-I396 PolarHBondContact O-N 2.84Å; I325-I396 HydrophobicContact CD1-CD1 3.57Å; I325-I396 HydrophobicContact CD1-CG1 3.96Å; I325-I396 HydrophobicContact CG1-CD1 4.27Å; I325-I396 HydrophobicContact CG1-CG1 4.12Å; I325-I396 HydrophobicContact CG2-CD1 4.24Å; I325-I396 HydrophobicContact CG2-CG1 3.99Å; I380-I396 HydrophobicContact CD1-CB 3.97Å; I380-I396 HydrophobicContact CD1-CG2 3.75Å; I380-I396 HydrophobicContact CG1-CG2 3.79Å; I396-F400 HydrophobicContact CD1-CB 4.32Å; I396-F404 HydrophobicContact CD1-CD2 4.25Å |
| 397 | P | 94.6 | Very high | 95.6 | Very high | 7 Ų | 7 | 44.7 Ų | 44.7 | 5% | 0.045 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 146 | 175 | -7.5 | 22.6 | 0 | 0 | 0 | 111.8 | D320 N321 M322 R399 F400 Y401 I423 F425 | D320-P397 HydrophobicContact CB-CB 4.08Å; D320-P397 VanDerWaalsContact OD2-CB 3.23Å; D320-P397 WeakPolarHBondContact OD2-CB 3.43Å; N321-P397 CarbonylContact O-C 3.51Å; N321-P397 WeakPolarHBondContact O-CA 3.3Å; M322-P397 HydrophobicContact CE-CG 4.32Å; M322-P397 HydrophobicContact SD-CB 4.18Å; M322-P397 HydrophobicContact SD-CG 3.99Å; P397-R399 VanDerWaalsContact C-N 3.33Å; P397-R399 PolarHBondContact O-N 3.23Å; P397-F400 HydrophobicContact CB-CD2 3.63Å; P397-F400 HydrophobicContact CB-CE2 3.97Å; P397-F400 HydrophobicContact CG-CD2 3.59Å; P397-F400 HydrophobicContact CG-CE2 3.77Å; P397-F400 WeakPolarHBondContact O-CB 3.23Å; P397-F400 PolarHBondContact O-N 3.42Å; P397-Y401 PolarHBondContact O-N 3.06Å; P397-I423 HydrophobicContact CB-CG2 4.11Å; P397-I423 HydrophobicContact CG-CG2 4.03Å; P397-F425 HydrophobicContact CG-CE2 4.38Å; P397-F425 HydrophobicContact CG-CZ 4.29Å |
| 398 | S | 95.7 | Very high | 95.5 | Very high | 21 Ų | 21 | 48 Ų | 48 | 15% | 0.147 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.9 | -36.6 | -169.3 | -174.9 | 0 | 0 | 0 | 0 | 113.8 | D320 N321 F400 Y401 N402 K412 | D320-S398 WeakPolarHBondContact OD1-CB 3.22Å; D320-S398 PolarHBondContact OD2-N 3.28Å; N321-S398 WeakPolarHBondContact O-CB 3.37Å; N321-S398 PolarHBondContact O-N 3.16Å; S398-F400 VanDerWaalsContact C-N 3.3Å; S398-F400 PolarHBondContact O-N 3Å; S398-Y401 WeakPolarHBondContact O-CB 3.09Å; S398-Y401 PolarHBondContact O-N 3.31Å; S398-N402 PolarHBondContact O-N 3.22Å; S398-N402 PolarHBondContact O-ND2 3.07Å; S398-K412 PolarHBondContact OG-NZ 3.41Å |
| 399 | R | 96.1 | Very high | 95.5 | Very high | 88 Ų | 88 | 50.6 Ų | 50.6 | 33% | 0.332 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.6 | -33.6 | 176.9 | -68.9 | 178.1 | 177.4 | -157.8 | -1.9 | 112.2 | L263 D320 P397 N402 L403 | L263-R399 HydrophobicContact CD1-CB 4.03Å; L263-R399 HydrophobicContact CD2-CB 3.81Å; D320-R399 VanDerWaalsContact OD2-CB 3.22Å; D320-R399 WeakPolarHBondContact OD2-CB 3.31Å; D320-R399 WeakPolarHBondContact OD2-CG 3.46Å; D320-R399 PolarHBondContact OD2-N 3.31Å; P397-R399 VanDerWaalsContact C-N 3.33Å; P397-R399 PolarHBondContact O-N 3.23Å; R399-N402 PolarHBondContact O-N 2.84Å; R399-L403 PolarHBondContact O-N 3.04Å; R399-L403 VanDerWaalsContact O-N 3.07Å |
| 400 | F | 95.7 | Very high | 95.6 | Very high | 4 Ų | 4 | 44.8 Ų | 44.8 | 2% | 0.018 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -71.4 | -40.8 | 175 | -62.6 | -87.7 | 0 | 0 | 0 | 111.2 | S259 V260 L263 I380 I396 P397 S398 N402 L403 F404 F425 | S259-F400 WeakPolarHBondContact O-CE1 3.5Å; V260-F400 HydrophobicContact CG2-CE1 4.4Å; V260-F400 HydrophobicContact CG2-CZ 4.05Å; L263-F400 HydrophobicContact CB-CE1 4.46Å; L263-F400 HydrophobicContact CD2-CE1 4.18Å; L263-F400 HydrophobicContact CD2-CE2 4.06Å; L263-F400 HydrophobicContact CD2-CZ 3.86Å; I380-F400 HydrophobicContact CD1-CB 4.23Å; I380-F400 HydrophobicContact CD1-CD1 4.42Å; I380-F400 HydrophobicContact CD1-CG 4.18Å; I396-F400 HydrophobicContact CD1-CB 4.32Å; P397-F400 HydrophobicContact CB-CD2 3.63Å; P397-F400 HydrophobicContact CB-CE2 3.97Å; P397-F400 HydrophobicContact CG-CD2 3.59Å; P397-F400 HydrophobicContact CG-CE2 3.77Å; P397-F400 WeakPolarHBondContact O-CB 3.23Å; P397-F400 PolarHBondContact O-N 3.42Å; S398-F400 VanDerWaalsContact C-N 3.3Å; S398-F400 PolarHBondContact O-N 3Å; F400-N402 VanDerWaalsContact C-N 3.32Å; F400-N402 PolarHBondContact O-N 3.43Å; F400-L403 PolarHBondContact O-N 2.82Å; F400-L403 VanDerWaalsContact O-N 3.16Å; F400-F404 HydrophobicContact CB-CD2 4.11Å; F400-F404 HydrophobicContact CB-CE2 3.67Å; F400-F404 HydrophobicContact CB-CZ 4.09Å; F400-F404 HydrophobicContact CD1-CE2 4.22Å; F400-F404 AromaticContact CD1-CZ 3.86Å; F400-F404 HydrophobicContact CD1-CZ 3.86Å; F400-F404 HydrophobicContact CG-CE2 4.39Å; F400-F404 HydrophobicContact CG-CZ 4.45Å; F400-F404 WeakPolarHBondContact O-CB 3.47Å; F400-F404 VanDerWaalsContact O-CD2 3.23Å; F400-F404 WeakPolarHBondContact O-CD2 3.31Å; F400-F404 WeakPolarHBondContact O-CG 3.24Å; F400-F404 PolarHBondContact O-N 2.84Å; F400-F425 HydrophobicContact CE2-CE1 4.15Å; F400-F425 AromaticContact CE2-CE2 3.85Å; F400-F425 HydrophobicContact CE2-CE2 3.85Å; F400-F425 AromaticContact CE2-CZ 3.42Å; F400-F425 HydrophobicContact CE2-CZ 3.42Å; F400-F425 VanDerWaalsContact CE2-CZ 3.42Å; F400-F425 AromaticContact CZ-CE1 3.93Å; F400-F425 HydrophobicContact CZ-CE1 3.93Å; F400-F425 HydrophobicContact CZ-CE2 4.41Å; F400-F425 AromaticContact CZ-CZ 3.68Å; F400-F425 HydrophobicContact CZ-CZ 3.68Å |
| 401 | Y | 95.9 | Very high | 95.6 | Very high | 37 Ų | 37 | 46.9 Ų | 46.9 | 15% | 0.145 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -53.8 | -50.1 | 169.8 | 162.4 | -94.2 | 0 | 0 | 0 | 111 | I325 P397 S398 L403 F404 S405 L410 K412 | I325-Y401 HydrophobicContact CG2-CD2 3.58Å; I325-Y401 HydrophobicContact CG2-CE2 4.38Å; I325-Y401 HydrophobicContact CG2-CG 4.18Å; P397-Y401 PolarHBondContact O-N 3.06Å; S398-Y401 WeakPolarHBondContact O-CB 3.09Å; S398-Y401 PolarHBondContact O-N 3.31Å; Y401-L403 PolarHBondContact O-N 3.27Å; Y401-F404 PolarHBondContact O-N 2.97Å; Y401-S405 VanDerWaalsContact O-CB 3.31Å; Y401-S405 WeakPolarHBondContact O-CB 3.33Å; Y401-S405 PolarHBondContact O-N 3.42Å; Y401-S405 PolarHBondContact O-OG 3.2Å; Y401-S405 VanDerWaalsContact O-OG 3.06Å; Y401-L410 HydrophobicContact CD2-CB 4.35Å; Y401-L410 HydrophobicContact CE2-CB 4.1Å; Y401-L410 PolarHBondContact OH-O 3.37Å; Y401-K412 HydrophobicContact CD1-CD 4.16Å; Y401-K412 HydrophobicContact CD1-CG 4.01Å; Y401-K412 HydrophobicContact CD2-CG 4.15Å; Y401-K412 HydrophobicContact CE1-CD 4.01Å; Y401-K412 HydrophobicContact CE1-CG 3.73Å; Y401-K412 HydrophobicContact CE2-CG 3.85Å; Y401-K412 HydrophobicContact CG-CG 4.2Å |
| 402 | N | 96.2 | Very high | 95.6 | Very high | 76 Ų | 76 | 46.2 Ų | 46.2 | 41% | 0.406 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63 | -28.3 | -179.2 | -69.3 | -29.4 | 0 | 0 | 0 | 113.5 | S398 R399 F400 R406 | S398-N402 PolarHBondContact O-N 3.22Å; S398-N402 PolarHBondContact O-ND2 3.07Å; R399-N402 PolarHBondContact O-N 2.84Å; F400-N402 VanDerWaalsContact C-N 3.32Å; F400-N402 PolarHBondContact O-N 3.43Å; N402-R406 PolarHBondContact O-NE 2.9Å |
| 403 | L | 95.3 | Very high | 95.4 | Very high | 48 Ų | 48 | 45.3 Ų | 45.3 | 25% | 0.251 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -76.5 | -46.3 | 174.8 | -179.1 | 60.8 | 0 | 0 | 0 | 110.8 | A262 L263 R399 F400 Y401 R406 | A262-L403 HydrophobicContact CB-CD2 4.07Å; L263-L403 HydrophobicContact CB-CD2 4.5Å; R399-L403 PolarHBondContact O-N 3.04Å; R399-L403 VanDerWaalsContact O-N 3.07Å; F400-L403 PolarHBondContact O-N 2.82Å; F400-L403 VanDerWaalsContact O-N 3.16Å; Y401-L403 PolarHBondContact O-N 3.27Å; L403-R406 WeakPolarHBondContact O-CB 3.45Å |
| 404 | F | 96.4 | Very high | 95 | Very high | 4 Ų | 4 | 50.2 Ų | 50.2 | 2% | 0.018 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -80 | -28.4 | -172.3 | -59.4 | -21.3 | 0 | 0 | 0 | 113.4 | I380 L381 A384 I396 F400 Y401 R406 C407 W408 L410 | I380-F404 HydrophobicContact CD1-CE2 4.2Å; I380-F404 HydrophobicContact CG1-CE2 4.04Å; I380-F404 HydrophobicContact CG2-CE2 3.89Å; I380-F404 HydrophobicContact CG2-CZ 3.85Å; L381-F404 HydrophobicContact CD2-CD1 4.02Å; L381-F404 HydrophobicContact CD2-CE1 3.39Å; L381-F404 HydrophobicContact CD2-CZ 3.71Å; L381-F404 HydrophobicContact CG-CE1 4.5Å; L381-F404 HydrophobicContact CG-CZ 4.4Å; A384-F404 HydrophobicContact CB-CB 4.08Å; A384-F404 HydrophobicContact CB-CD2 3.62Å; A384-F404 HydrophobicContact CB-CE2 4.32Å; A384-F404 HydrophobicContact CB-CG 4.03Å; I396-F404 HydrophobicContact CD1-CD2 4.25Å; F400-F404 HydrophobicContact CB-CD2 4.11Å; F400-F404 HydrophobicContact CB-CE2 3.67Å; F400-F404 HydrophobicContact CB-CZ 4.09Å; F400-F404 HydrophobicContact CD1-CE2 4.22Å; F400-F404 AromaticContact CD1-CZ 3.86Å; F400-F404 HydrophobicContact CD1-CZ 3.86Å; F400-F404 HydrophobicContact CG-CE2 4.39Å; F400-F404 HydrophobicContact CG-CZ 4.45Å; F400-F404 WeakPolarHBondContact O-CB 3.47Å; F400-F404 VanDerWaalsContact O-CD2 3.23Å; F400-F404 WeakPolarHBondContact O-CD2 3.31Å; F400-F404 WeakPolarHBondContact O-CG 3.24Å; F400-F404 PolarHBondContact O-N 2.84Å; Y401-F404 PolarHBondContact O-N 2.97Å; F404-R406 PolarHBondContact O-N 3.34Å; F404-R406 VanDerWaalsContact O-N 3.09Å; F404-C407 PolarHBondContact O-N 3.5Å; F404-W408 HydrophobicContact CB-CE3 3.96Å; F404-W408 HydrophobicContact CB-CZ3 4.16Å; F404-W408 HydrophobicContact CD1-CZ3 4.21Å; F404-W408 HydrophobicContact CG-CZ3 4.26Å; F404-W408 PolarHBondContact O-N 3.17Å; F404-L410 HydrophobicContact CB-CD1 4.07Å |
| 405 | S | 96.2 | Very high | 94.6 | Very high | 44 Ų | 44 | 50.8 Ų | 50.8 | 31% | 0.308 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -12.9 | 174 | 62.7 | 0 | 0 | 0 | 0 | 113.3 | Y401 W408 | Y401-S405 VanDerWaalsContact O-CB 3.31Å; Y401-S405 WeakPolarHBondContact O-CB 3.33Å; Y401-S405 PolarHBondContact O-N 3.42Å; Y401-S405 PolarHBondContact O-OG 3.2Å; Y401-S405 VanDerWaalsContact O-OG 3.06Å; S405-W408 CarbonylContact C-O 3.56Å; S405-W408 WeakPolarHBondContact CA-O 3.49Å |
| 406 | R | 94.7 | Very high | 94.1 | Very high | 204 Ų | 204 | 54 Ų | 54 | 77% | 0.77 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -20.2 | 171.2 | -57 | 179 | -175 | -166.8 | -2.9 | 113.2 | N402 L403 F404 | N402-R406 PolarHBondContact O-NE 2.9Å; L403-R406 WeakPolarHBondContact O-CB 3.45Å; F404-R406 PolarHBondContact O-N 3.34Å; F404-R406 VanDerWaalsContact O-N 3.09Å |
| 407 | C | 94.6 | Very high | 93.6 | Very high | 93 Ų | 93 | 55.9 Ų | 55.9 | 63% | 0.628 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.2 | -28.2 | -177.2 | -62.5 | 0 | 0 | 0 | 0 | 112.3 | F404 | F404-C407 PolarHBondContact O-N 3.5Š|
| 408 | W | 96.9 | Very high | 93.2 | Very high | 71 Ų | 71 | 55.5 Ų | 55.5 | 27% | 0.269 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -133.4 | 146.5 | -177.5 | -65.6 | -75.5 | 0 | 0 | 0 | 111.6 | L381 A384 A385 A388 F404 S405 L410 | L381-W408 HydrophobicContact CD2-CH2 4.24Å; L381-W408 HydrophobicContact CD2-CZ3 4.35Å; A384-W408 HydrophobicContact CB-CE3 4.06Å; A384-W408 HydrophobicContact CB-CZ3 4.19Å; A385-W408 HydrophobicContact CB-CZ2 3.89Å; A388-W408 HydrophobicContact CB-CB 3.62Å; A388-W408 HydrophobicContact CB-CG 4.03Å; F404-W408 HydrophobicContact CB-CE3 3.96Å; F404-W408 HydrophobicContact CB-CZ3 4.16Å; F404-W408 HydrophobicContact CD1-CZ3 4.21Å; F404-W408 HydrophobicContact CG-CZ3 4.26Å; F404-W408 PolarHBondContact O-N 3.17Å; S405-W408 CarbonylContact C-O 3.56Å; S405-W408 WeakPolarHBondContact CA-O 3.49Å; W408-L410 VanDerWaalsContact C-N 3.29Å; W408-L410 HydrophobicContact CB-CD1 4.26Å; W408-L410 HydrophobicContact CB-CG 4.09Å; W408-L410 PolarHBondContact O-N 3Å |
| 409 | P | 97.1 | Very high | 92.4 | Very high | 63 Ų | 63 | 58.2 Ų | 58.2 | 41% | 0.409 | 30% | 0.301 | S | S | . | . | trans | -72.8 | 83.9 | 176.9 | 31.5 | -35.9 | 0 | 0 | 0 | 110.2 | R327 E328 | R327-P409 CarbonylContact C-O 3.57Å; R327-P409 WeakPolarHBondContact CA-O 3.24Å; E328-P409 HydrophobicContact CB-CB 3.81Å; E328-P409 PolarHBondContact N-O 3.39Å; E328-P409 WeakPolarHBondContact OE2-CB 3.39Å | ||
| 410 | L | 98 | Very high | 92 | Very high | 9 Ų | 9 | 61.7 Ų | 61.7 | 5% | 0.047 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 141.1 | 179.9 | -67 | 172.4 | 0 | 0 | 0 | 110 | I325 C326 A384 V387 A388 Y401 F404 W408 | I325-L410 HydrophobicContact CD1-CD1 4.18Å; I325-L410 HydrophobicContact CD1-CD2 4.23Å; C326-L410 WeakPolarHBondContact O-CA 3.49Å; A384-L410 HydrophobicContact CB-CD1 4.15Å; V387-L410 HydrophobicContact CB-CD2 4.17Å; V387-L410 HydrophobicContact CG1-CD2 3.7Å; A388-L410 HydrophobicContact CB-CD2 3.85Å; A388-L410 HydrophobicContact CB-CG 4.33Å; Y401-L410 HydrophobicContact CD2-CB 4.35Å; Y401-L410 HydrophobicContact CE2-CB 4.1Å; Y401-L410 PolarHBondContact OH-O 3.37Å; F404-L410 HydrophobicContact CB-CD1 4.07Å; W408-L410 VanDerWaalsContact C-N 3.29Å; W408-L410 HydrophobicContact CB-CD1 4.26Å; W408-L410 HydrophobicContact CB-CG 4.09Å; W408-L410 PolarHBondContact O-N 3Å |
| 411 | E | 96.7 | Very high | 91.8 | Very high | 70 Ų | 70 | 62.4 Ų | 62.4 | 33% | 0.327 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 156.1 | 173.1 | -73.2 | -168.3 | -119.5 | 0 | 0 | 110.7 | I325 C326 E328 G329 L333 | I325-E411 WeakPolarHBondContact CA-O 3.18Å; C326-E411 PolarHBondContact N-O 3.33Å; C326-E411 PolarHBondContact O-N 3.43Å; E328-E411 WeakPolarHBondContact CA-OE1 3.22Å; E328-E411 HydrophobicContact CB-CG 4.41Å; E328-E411 WeakPolarHBondContact CG-OE1 3.41Å; G329-E411 PolarHBondContact N-OE1 2.87Å; L333-E411 HydrophobicContact CD1-CB 4.13Å; L333-E411 HydrophobicContact CD1-CG 4.42Å; L333-E411 HydrophobicContact CD2-CB 4.19Å |
| 412 | K | 94.4 | Very high | 91.5 | Very high | 78 Ų | 78 | 65.9 Ų | 65.9 | 34% | 0.339 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 126.1 | 171 | -66.4 | -173.1 | -178.8 | -173.8 | 0 | 109.1 | V323 L324 S398 Y401 | V323-K412 HydrophobicContact CB-CD 4.4Å; V323-K412 HydrophobicContact CG1-CD 4.19Å; L324-K412 WeakPolarHBondContact O-CA 3.36Å; S398-K412 PolarHBondContact OG-NZ 3.41Å; Y401-K412 HydrophobicContact CD1-CD 4.16Å; Y401-K412 HydrophobicContact CD1-CG 4.01Å; Y401-K412 HydrophobicContact CD2-CG 4.15Å; Y401-K412 HydrophobicContact CE1-CD 4.01Å; Y401-K412 HydrophobicContact CE1-CG 3.73Å; Y401-K412 HydrophobicContact CE2-CG 3.85Å; Y401-K412 HydrophobicContact CG-CG 4.2Å |
| 413 | L | 90.9 | Very high | 91.3 | Very high | 7 Ų | 7 | 62.9 Ų | 62.9 | 4% | 0.037 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 122.1 | 168.6 | -169.2 | 64.3 | 0 | 0 | 0 | 108.5 | L324 L332 L333 I342 L393 F415 | L324-L413 HydrophobicContact CB-CB 4.41Å; L324-L413 HydrophobicContact CD2-CB 4.23Å; L324-L413 HydrophobicContact CD2-CD2 3.82Å; L324-L413 HydrophobicContact CD2-CG 4.35Å; L324-L413 HydrophobicContact CG-CB 4.17Å; L324-L413 HydrophobicContact CG-CD2 4.38Å; L324-L413 PolarHBondContact O-N 3.45Å; L332-L413 HydrophobicContact CB-CD1 4.1Å; L332-L413 HydrophobicContact CB-CD2 4.1Å; L332-L413 HydrophobicContact CD1-CD2 4.44Å; L332-L413 WeakPolarHBondContact O-CD1 3.44Å; L333-L413 HydrophobicContact CD2-CD1 3.94Å; L333-L413 HydrophobicContact CG-CD1 4.39Å; I342-L413 HydrophobicContact CD1-CD2 3.98Å; I342-L413 HydrophobicContact CD1-CG 4.41Å; I342-L413 HydrophobicContact CG1-CD2 4.07Å; I342-L413 HydrophobicContact CG2-CD2 4.24Å; L393-L413 HydrophobicContact CD1-CD2 3.9Å; L393-L413 HydrophobicContact CD2-CD2 4.03Å; L413-F415 PolarHBondContact O-N 3.23Å; L413-F415 VanDerWaalsContact O-N 3.09Å |
| 414 | P | 86.8 | Confident | 91.2 | Very high | 102 Ų | 102 | 64.1 Ų | 64.1 | 66% | 0.662 | 33% | 0.333 | S | S | * | . | trans | -60.6 | 114.4 | -180 | -24 | 34.8 | 0 | 0 | 0 | 111.6 | ||||
| 415 | F | 86.9 | Confident | 91.1 | Very high | 13 Ų | 13 | 64 Ų | 64 | 6% | 0.057 | 33% | 0.332 | C | S | . | . | trans | -143 | 86.2 | 174.2 | -160.3 | -91.3 | 0 | 0 | 0 | 110.1 | L324 R339 I342 F368 L413 S417 L418 | L324-F415 HydrophobicContact CB-CB 4.41Å; L324-F415 HydrophobicContact CD2-CB 4.04Å; L324-F415 HydrophobicContact CD2-CD2 4.4Å; L324-F415 HydrophobicContact CD2-CG 4.32Å; R339-F415 HydrophobicContact CG-CE2 4.2Å; I342-F415 HydrophobicContact CD1-CD2 4.39Å; I342-F415 HydrophobicContact CG2-CD2 4.25Å; I342-F415 HydrophobicContact CG2-CE2 4.26Å; F368-F415 HydrophobicContact CD1-CZ 4.42Å; F368-F415 HydrophobicContact CE1-CD1 4.49Å; F368-F415 HydrophobicContact CE1-CD2 4.23Å; F368-F415 AromaticContact CE1-CE1 3.98Å; F368-F415 HydrophobicContact CE1-CE1 3.98Å; F368-F415 AromaticContact CE1-CE2 3.69Å; F368-F415 HydrophobicContact CE1-CE2 3.69Å; F368-F415 AromaticContact CE1-CZ 3.53Å; F368-F415 HydrophobicContact CE1-CZ 3.53Å; F368-F415 HydrophobicContact CE2-CE1 4.16Å; F368-F415 HydrophobicContact CE2-CZ 4.48Å; F368-F415 AromaticContact CZ-CD1 3.79Å; F368-F415 HydrophobicContact CZ-CD1 3.79Å; F368-F415 HydrophobicContact CZ-CD2 4.23Å; F368-F415 AromaticContact CZ-CE1 3.49Å; F368-F415 HydrophobicContact CZ-CE1 3.49Å; F368-F415 VanDerWaalsContact CZ-CE1 3.49Å; F368-F415 AromaticContact CZ-CE2 3.96Å; F368-F415 HydrophobicContact CZ-CE2 3.96Å; F368-F415 HydrophobicContact CZ-CG 4.13Å; F368-F415 AromaticContact CZ-CZ 3.57Å; F368-F415 HydrophobicContact CZ-CZ 3.57Å; L413-F415 PolarHBondContact O-N 3.23Å; L413-F415 VanDerWaalsContact O-N 3.09Å; F415-S417 VanDerWaalsContact C-N 3.32Å; F415-S417 PolarHBondContact O-N 3.46Å; F415-L418 HydrophobicContact CD1-CB 3.76Å; F415-L418 PolarHBondContact O-N 2.77Å; F415-L418 VanDerWaalsContact O-N 3.09Å | ||
| 416 | P | 82.4 | Confident | 91.1 | Very high | 93 Ų | 93 | 62.3 Ų | 62.3 | 60% | 0.604 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -55.6 | -39.3 | -168.4 | -29 | 35.9 | 0 | 0 | 0 | 114.8 | L418 N419 | P416-L418 PolarHBondContact O-N 3.2Å; P416-N419 WeakPolarHBondContact O-CB 3.35Å; P416-N419 PolarHBondContact O-N 3.45Å |
| 417 | S | 83.8 | Confident | 91.2 | Very high | 41 Ų | 41 | 52.6 Ų | 52.6 | 29% | 0.287 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -61.4 | -27.3 | -179.4 | -57 | 0 | 0 | 0 | 0 | 113.6 | M367 F415 | M367-S417 WeakPolarHBondContact CE-O 3.44Å; F415-S417 VanDerWaalsContact C-N 3.32Å; F415-S417 PolarHBondContact O-N 3.46Å |
| 418 | L | 87 | Confident | 91.3 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -78.7 | -25.3 | 177.5 | -176.7 | 66.4 | 0 | 0 | 0 | 112.1 | M322 L324 V364 M367 I395 F415 P416 E420 E421 | M322-L418 HydrophobicContact CB-CD1 3.89Å; M322-L418 HydrophobicContact CB-CG 3.98Å; L324-L418 HydrophobicContact CB-CD2 3.8Å; V364-L418 HydrophobicContact CG2-CD1 4.33Å; M367-L418 HydrophobicContact SD-CD1 4.24Å; I395-L418 HydrophobicContact CB-CD2 4.49Å; I395-L418 HydrophobicContact CD1-CD1 4.38Å; I395-L418 HydrophobicContact CD1-CD2 4.31Å; I395-L418 HydrophobicContact CG1-CD2 3.92Å; I395-L418 HydrophobicContact CG2-CD1 3.98Å; I395-L418 HydrophobicContact CG2-CD2 3.98Å; F415-L418 HydrophobicContact CD1-CB 3.76Å; F415-L418 PolarHBondContact O-N 2.77Å; F415-L418 VanDerWaalsContact O-N 3.09Å; P416-L418 PolarHBondContact O-N 3.2Å; L418-E420 PolarHBondContact O-N 3.16Å; L418-E421 HydrophobicContact CD1-CB 4.36Å; L418-E421 HydrophobicContact CD1-CG 4.35Å; L418-E421 WeakPolarHBondContact O-CB 3.5Å; L418-E421 PolarHBondContact O-N 3.13Å |
| 419 | N | 79.6 | Confident | 91.3 | Very high | 77 Ų | 77 | 46 Ų | 46 | 41% | 0.412 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -68.5 | -17.5 | -179.6 | -65.6 | -28.1 | 0 | 0 | 0 | 112.8 | P416 E421 | P416-N419 WeakPolarHBondContact O-CB 3.35Å; P416-N419 PolarHBondContact O-N 3.45Å; N419-E421 VanDerWaalsContact C-N 3.3Å |
| 420 | E | 86.3 | Confident | 91.3 | Very high | 161 Ų | 161 | 43.1 Ų | 43.1 | 75% | 0.752 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -77.8 | -16.9 | 172.9 | -62.4 | -178.4 | -178 | 0 | 0 | 112.3 | L418 | L418-E420 PolarHBondContact O-N 3.16Š|
| 421 | E | 91 | Very high | 91 | Very high | 20 Ų | 20 | 46.5 Ų | 46.5 | 9% | 0.093 | 24% | 0.242 | C | C | . | . | trans | -80.6 | 128.7 | 177.3 | -66.9 | -64.7 | 158.7 | 0 | 0 | 111.1 | N321 M322 L360 R363 M367 L418 N419 | N321-E421 WeakPolarHBondContact CA-O 3.35Å; M322-E421 HydrophobicContact CB-CB 4.07Å; M322-E421 HydrophobicContact CG-CB 3.9Å; M322-E421 PolarHBondContact N-O 3.06Å; L360-E421 HydrophobicContact CD1-CB 3.93Å; L360-E421 HydrophobicContact CD1-CG 4.19Å; L360-E421 WeakPolarHBondContact CD1-OE2 3.45Å; R363-E421 VanDerWaalsContact CD-OE1 3.32Å; R363-E421 WeakPolarHBondContact CD-OE1 3.35Å; R363-E421 IonicContact CZ-OE2 3.34Å; R363-E421 VanDerWaalsContact NE-CD 3.26Å; R363-E421 IonicContact NE-OE1 2.76Å; R363-E421 PolarHBondContact NE-OE1 3.47Å; R363-E421 IonicContact NE-OE2 3.72Å; R363-E421 PolarHBondContact NE-OE2 3.2Å; R363-E421 IonicContact NH2-OE2 2.68Å; R363-E421 PolarHBondContact NH2-OE2 3.12Å; M367-E421 HydrophobicContact CE-CG 3.51Å; M367-E421 VanDerWaalsContact CE-OE1 3.3Å; M367-E421 WeakPolarHBondContact CE-OE1 3.42Å; M367-E421 HydrophobicContact SD-CG 4.32Å; L418-E421 HydrophobicContact CD1-CB 4.36Å; L418-E421 HydrophobicContact CD1-CG 4.35Å; L418-E421 WeakPolarHBondContact O-CB 3.5Å; L418-E421 PolarHBondContact O-N 3.13Å; N419-E421 VanDerWaalsContact C-N 3.3Å | ||
| 422 | Q | 91.1 | Very high | 90.8 | Very high | 109 Ų | 109 | 47.2 Ų | 47.2 | 51% | 0.509 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 153.1 | -174.3 | -65.8 | -168.9 | -34.1 | 0 | 0 | 112.1 | T319 D320 N321 | T319-Q422 HydrophobicContact CG2-CB 3.69Å; T319-Q422 HydrophobicContact CG2-CG 4.16Å; D320-Q422 WeakPolarHBondContact O-CA 3.25Å; N321-Q422 WeakPolarHBondContact OD1-CG 3.44Å; N321-Q422 PolarHBondContact OD1-NE2 2.83Å |
| 423 | I | 91 | Very high | 90.5 | Very high | 13 Ų | 13 | 44 Ų | 44 | 7% | 0.067 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 133.9 | 176.2 | -167.9 | 162.5 | 0 | 0 | 0 | 110.9 | N304 T319 D320 M322 F357 L360 P397 F425 | N304-I423 HydrophobicContact CB-CD1 3.98Å; N304-I423 HydrophobicContact CB-CG1 3.95Å; N304-I423 WeakPolarHBondContact ND2-CD1 3.49Å; T319-I423 WeakPolarHBondContact CA-O 3.36Å; D320-I423 HydrophobicContact CB-CG2 4.42Å; D320-I423 PolarHBondContact N-O 3.49Å; D320-I423 PolarHBondContact O-N 2.93Å; M322-I423 HydrophobicContact SD-CB 4.36Å; M322-I423 HydrophobicContact SD-CG2 3.89Å; F357-I423 HydrophobicContact CD1-CD1 4.4Å; F357-I423 HydrophobicContact CE1-CD1 3.54Å; F357-I423 HydrophobicContact CE1-CG1 4.31Å; F357-I423 HydrophobicContact CE2-CD1 4.27Å; F357-I423 HydrophobicContact CZ-CD1 3.5Å; L360-I423 HydrophobicContact CD2-CD1 4.23Å; P397-I423 HydrophobicContact CB-CG2 4.11Å; P397-I423 HydrophobicContact CG-CG2 4.03Å; I423-F425 HydrophobicContact CG2-CD2 4.45Å; I423-F425 HydrophobicContact CG2-CE2 3.72Å; I423-F425 HydrophobicContact CG2-CZ 4.42Å |
| 424 | D | 93.3 | Very high | 90.3 | Very high | 74 Ų | 74 | 46.1 Ų | 46.1 | 40% | 0.396 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 132.4 | 179.3 | -69.7 | -21.1 | 0 | 0 | 0 | 110.7 | N304 V316 T319 | N304-D424 WeakPolarHBondContact CA-O 3.49Å; N304-D424 WeakPolarHBondContact CB-O 3.28Å; V316-D424 HydrophobicContact CG1-CB 3.99Å; V316-D424 HydrophobicContact CG2-CB 4.04Å; T319-D424 VanDerWaalsContact CB-OD1 3.3Å; T319-D424 WeakPolarHBondContact CB-OD1 3.42Å; T319-D424 VanDerWaalsContact CG2-OD1 3.26Å; T319-D424 WeakPolarHBondContact CG2-OD1 3.48Å; T319-D424 PolarHBondContact OG1-OD1 3.46Å |
| 425 | F | 95.1 | Very high | 90.3 | Very high | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.009 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 120.5 | 168 | -72.5 | -89.3 | 0 | 0 | 0 | 108.7 | V260 N304 L317 F318 D320 P397 F400 I423 | V260-F425 HydrophobicContact CG1-CD1 4.4Å; V260-F425 HydrophobicContact CG2-CD1 4.05Å; V260-F425 HydrophobicContact CG2-CE1 3.63Å; N304-F425 HydrophobicContact CB-CD1 3.79Å; N304-F425 HydrophobicContact CB-CE1 3.67Å; N304-F425 HydrophobicContact CB-CG 4.28Å; N304-F425 HydrophobicContact CB-CZ 4.09Å; N304-F425 WeakPolarHBondContact ND2-CE1 3.19Å; N304-F425 WeakPolarHBondContact ND2-CZ 3.48Å; L317-F425 PolarHBondContact N-O 2.82Å; F318-F425 HydrophobicContact CD1-CB 4.3Å; F318-F425 HydrophobicContact CD2-CB 4.29Å; F318-F425 HydrophobicContact CD2-CD2 4.09Å; F318-F425 HydrophobicContact CE1-CB 3.82Å; F318-F425 HydrophobicContact CE1-CG 4.43Å; F318-F425 HydrophobicContact CE2-CB 3.83Å; F318-F425 AromaticContact CE2-CD2 3.36Å; F318-F425 HydrophobicContact CE2-CD2 3.36Å; F318-F425 HydrophobicContact CE2-CE2 4.15Å; F318-F425 AromaticContact CE2-CG 3.76Å; F318-F425 HydrophobicContact CE2-CG 3.76Å; F318-F425 HydrophobicContact CZ-CB 3.57Å; F318-F425 HydrophobicContact CZ-CD1 4.48Å; F318-F425 AromaticContact CZ-CD2 3.79Å; F318-F425 HydrophobicContact CZ-CD2 3.79Å; F318-F425 AromaticContact CZ-CG 3.68Å; F318-F425 HydrophobicContact CZ-CG 3.68Å; F318-F425 PolarHBondContact N-O 2.76Å; F318-F425 PolarHBondContact O-N 2.87Å; D320-F425 HydrophobicContact CB-CE2 4.43Å; P397-F425 HydrophobicContact CG-CE2 4.38Å; P397-F425 HydrophobicContact CG-CZ 4.29Å; F400-F425 HydrophobicContact CE2-CE1 4.15Å; F400-F425 AromaticContact CE2-CE2 3.85Å; F400-F425 HydrophobicContact CE2-CE2 3.85Å; F400-F425 AromaticContact CE2-CZ 3.42Å; F400-F425 HydrophobicContact CE2-CZ 3.42Å; F400-F425 VanDerWaalsContact CE2-CZ 3.42Å; F400-F425 AromaticContact CZ-CE1 3.93Å; F400-F425 HydrophobicContact CZ-CE1 3.93Å; F400-F425 HydrophobicContact CZ-CE2 4.41Å; F400-F425 AromaticContact CZ-CZ 3.68Å; F400-F425 HydrophobicContact CZ-CZ 3.68Å; I423-F425 HydrophobicContact CG2-CD2 4.45Å; I423-F425 HydrophobicContact CG2-CE2 3.72Å; I423-F425 HydrophobicContact CG2-CZ 4.42Å |
| 426 | S | 95.8 | Very high | 90.2 | Very high | 9 Ų | 9 | 52.3 Ų | 52.3 | 6% | 0.063 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 150 | -172.7 | -67.2 | 0 | 0 | 0 | 0 | 111.8 | I302 D303 H315 V316 H428 | I302-S426 WeakPolarHBondContact CA-O 3.38Å; D303-S426 PolarHBondContact N-O 3.22Å; D303-S426 PolarHBondContact O-N 3.45Å; H315-S426 CarbonylContact O-C 3.56Å; H315-S426 WeakPolarHBondContact O-CA 3.49Å; H315-S426 WeakPolarHBondContact O-CB 3.26Å; V316-S426 WeakPolarHBondContact CA-OG 3.37Å; S426-H428 PolarHBondContact O-CD2 3.01Å |
| 427 | I | 97.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 129.5 | 161 | -176 | 171 | 0 | 0 | 0 | 108.7 | L300 I302 H314 H315 L317 Y429 I443 I446 R447 | L300-I427 HydrophobicContact CD1-CD1 4Å; L300-I427 HydrophobicContact CD2-CD1 4.08Å; L300-I427 HydrophobicContact CD2-CG1 4.39Å; L300-I427 HydrophobicContact CG-CD1 4.46Å; I302-I427 HydrophobicContact CG1-CB 4.12Å; I302-I427 HydrophobicContact CG1-CG1 4.05Å; H314-I427 CarbonylContact C-O 3.58Å; H314-I427 WeakPolarHBondContact CA-O 3.35Å; H315-I427 HydrophobicContact CB-CG2 3.91Å; H315-I427 PolarHBondContact N-O 2.86Å; H315-I427 WeakPolarHBondContact O-CG2 3.14Å; H315-I427 PolarHBondContact O-N 3.33Å; L317-I427 HydrophobicContact CD1-CB 4.11Å; L317-I427 HydrophobicContact CD2-CB 4.19Å; L317-I427 HydrophobicContact CD2-CG2 3.76Å; L317-I427 HydrophobicContact CG-CB 4.12Å; L317-I427 HydrophobicContact CG-CG2 4.09Å; I427-Y429 HydrophobicContact CG1-CD1 4.41Å; I427-I443 HydrophobicContact CD1-CG1 4.41Å; I427-I446 HydrophobicContact CD1-CB 4.31Å; I427-I446 HydrophobicContact CD1-CD1 3.99Å; I427-I446 HydrophobicContact CD1-CG2 4.01Å; I427-R447 HydrophobicContact CG2-CG 4.44Å |
| 428 | H | 96.5 | Very high | 90.6 | Very high | 3 Ų | 3 | 53.8 Ų | 53.8 | 1% | 0.014 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 138.3 | 177.5 | -57.2 | -94 | 0 | 0 | 0 | 109.9 | L293 L300 I301 M305 V312 Q313 H314 S426 | L293-H428 HydrophobicContact CD1-CB 3.63Å; L300-H428 WeakPolarHBondContact CA-O 3.3Å; I301-H428 HydrophobicContact CB-CB 4.44Å; I301-H428 PolarHBondContact N-O 3.43Å; I301-H428 PolarHBondContact O-N 3.03Å; M305-H428 WeakPolarHBondContact CE-CD2 3.28Å; M305-H428 PolarHBondContact O-CE1 2.74Å; M305-H428 VanDerWaalsContact O-CE1 3.3Å; M305-H428 PolarHBondContact O-NE2 3.5Å; V312-H428 HydrophobicContact CG1-CB 4.08Å; Q313-H428 WeakPolarHBondContact O-CA 3.03Å; H314-H428 VanDerWaalsContact CB-ND1 3.26Å; H314-H428 WeakPolarHBondContact CB-ND1 3.37Å; S426-H428 PolarHBondContact O-CD2 3.01Å |
| 429 | Y | 97.1 | Very high | 90.8 | Very high | 23 Ų | 23 | 53.9 Ų | 53.9 | 9% | 0.09 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 158.6 | 178.9 | 55.7 | -90.6 | 0 | 0 | 0 | 110.9 | L300 V312 Q313 I427 L434 I443 | L300-Y429 HydrophobicContact CD2-CG 4.45Å; V312-Y429 CarbonylContact C-O 3.47Å; V312-Y429 WeakPolarHBondContact CA-O 3.32Å; Q313-Y429 HydrophobicContact CB-CD2 4.24Å; Q313-Y429 HydrophobicContact CB-CE2 3.71Å; Q313-Y429 PolarHBondContact N-O 2.95Å; Q313-Y429 PolarHBondContact O-N 3.02Å; I427-Y429 HydrophobicContact CG1-CD1 4.41Å; Y429-L434 HydrophobicContact CD2-CD2 4.37Å; Y429-L434 HydrophobicContact CD2-CG 4.43Å; Y429-L434 HydrophobicContact CE2-CD1 4.03Å; Y429-L434 HydrophobicContact CE2-CD2 3.85Å; Y429-L434 HydrophobicContact CE2-CG 3.94Å; Y429-I443 HydrophobicContact CD1-CD1 3.91Å; Y429-I443 HydrophobicContact CD1-CG1 4.37Å; Y429-I443 HydrophobicContact CD1-CG2 4.41Å; Y429-I443 HydrophobicContact CD2-CD1 3.88Å; Y429-I443 HydrophobicContact CE1-CD1 4.23Å; Y429-I443 HydrophobicContact CE1-CG2 3.95Å; Y429-I443 HydrophobicContact CE2-CD1 4.2Å; Y429-I443 HydrophobicContact CG-CD1 3.73Å |
| 430 | N | 95.2 | Very high | 91.5 | Very high | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.011 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 132.7 | 172.9 | -169.9 | -42.1 | 0 | 0 | 0 | 110.1 | L293 S294 F296 T311 F432 S433 | L293-N430 WeakPolarHBondContact O-CB 3.34Å; L293-N430 PolarHBondContact O-ND2 2.89Å; S294-N430 WeakPolarHBondContact CA-ND2 3.48Å; S294-N430 PolarHBondContact O-ND2 3.26Å; F296-N430 HydrophobicContact CE1-CB 4.12Å; T311-N430 CarbonylContact O-C 3.43Å; T311-N430 WeakPolarHBondContact O-CA 3.33Å; N430-F432 PolarHBondContact O-N 3.2Å; N430-F432 VanDerWaalsContact O-N 3.07Å; N430-F432 WeakPolarHBondContact OD1-CB 3.22Å; N430-F432 VanDerWaalsContact OD1-CD2 3.26Å; N430-F432 WeakPolarHBondContact OD1-CD2 3.43Å; N430-F432 PolarHBondContact OD1-N 3.03Å; N430-S433 WeakPolarHBondContact O-CA 3.39Å; N430-S433 WeakPolarHBondContact O-CB 3.16Å; N430-S433 PolarHBondContact O-N 2.66Å; N430-S433 PolarHBondContact O-OG 3.25Å |
| 431 | K | 93 | Very high | 91.9 | Very high | 80 Ų | 80 | 47 Ų | 47 | 35% | 0.348 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -56.2 | -28.3 | 178.2 | 69.8 | -171.7 | 177.1 | -167.5 | 0 | 113.6 | R310 T311 Q313 S433 L434 | R310-K431 PolarHBondContact O-NZ 3.3Å; T311-K431 WeakPolarHBondContact O-CG 3.36Å; T311-K431 PolarHBondContact O-N 2.75Å; Q313-K431 HydrophobicContact CG-CB 4.08Å; K431-S433 VanDerWaalsContact C-N 3.28Å; K431-L434 PolarHBondContact O-N 3.09Å |
| 432 | F | 91.6 | Very high | 92.1 | Very high | 84 Ų | 84 | 46 Ų | 46 | 37% | 0.368 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -75.3 | -19.1 | 177.3 | -63.2 | -60.7 | 0 | 0 | 0 | 112.8 | F296 T311 N430 L434 R435 | F296-F432 HydrophobicContact CE1-CB 4.29Å; F296-F432 HydrophobicContact CZ-CB 3.94Å; T311-F432 HydrophobicContact CG2-CE2 4.32Å; N430-F432 PolarHBondContact O-N 3.2Å; N430-F432 VanDerWaalsContact O-N 3.07Å; N430-F432 WeakPolarHBondContact OD1-CB 3.22Å; N430-F432 VanDerWaalsContact OD1-CD2 3.26Å; N430-F432 WeakPolarHBondContact OD1-CD2 3.43Å; N430-F432 PolarHBondContact OD1-N 3.03Å; F432-L434 PolarHBondContact O-N 3.21Å; F432-R435 WeakPolarHBondContact O-CB 3.32Å; F432-R435 WeakPolarHBondContact O-CG 3.28Å; F432-R435 PolarHBondContact O-N 2.89Å; F432-R435 VanDerWaalsContact O-N 3.16Å |
| 433 | S | 88.2 | Confident | 92.4 | Very high | 10 Ų | 10 | 40.9 Ų | 40.9 | 7% | 0.07 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -62.5 | -23.4 | 173.3 | -63.9 | 0 | 0 | 0 | 0 | 112.9 | N430 K431 R435 D436 | N430-S433 WeakPolarHBondContact O-CA 3.39Å; N430-S433 WeakPolarHBondContact O-CB 3.16Å; N430-S433 PolarHBondContact O-N 2.66Å; N430-S433 PolarHBondContact O-OG 3.25Å; K431-S433 VanDerWaalsContact C-N 3.28Å; S433-R435 PolarHBondContact O-N 2.74Å; S433-R435 VanDerWaalsContact O-N 3.13Å; S433-D436 PolarHBondContact O-N 3.2Å; S433-D436 VanDerWaalsContact O-N 3.08Å |
| 434 | L | 87.8 | Confident | 92.7 | Very high | 53 Ų | 53 | 42.8 Ų | 42.8 | 28% | 0.277 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -67.7 | -8.1 | 175.7 | -62.8 | 178.1 | 0 | 0 | 0 | 113.9 | Y429 K431 F432 D436 H440 I443 | Y429-L434 HydrophobicContact CD2-CD2 4.37Å; Y429-L434 HydrophobicContact CD2-CG 4.43Å; Y429-L434 HydrophobicContact CE2-CD1 4.03Å; Y429-L434 HydrophobicContact CE2-CD2 3.85Å; Y429-L434 HydrophobicContact CE2-CG 3.94Å; K431-L434 PolarHBondContact O-N 3.09Å; F432-L434 PolarHBondContact O-N 3.21Å; L434-D436 VanDerWaalsContact C-N 3.32Å; L434-H440 HydrophobicContact CD2-CB 4.34Å; L434-I443 HydrophobicContact CD2-CD1 3.9Å |
| 435 | R | 85.3 | Confident | 92.9 | Very high | 196 Ų | 196 | 40 Ų | 40 | 74% | 0.74 | 20% | 0.197 | S | C | * | . | G | 310 helix | trans | -74.7 | -23.4 | 171.2 | -64 | 177.3 | 178.6 | 178.4 | -0.9 | 112.5 | F432 S433 P437 | F432-R435 WeakPolarHBondContact O-CB 3.32Å; F432-R435 WeakPolarHBondContact O-CG 3.28Å; F432-R435 PolarHBondContact O-N 2.89Å; F432-R435 VanDerWaalsContact O-N 3.16Å; S433-R435 PolarHBondContact O-N 2.74Å; S433-R435 VanDerWaalsContact O-N 3.13Å; R435-P437 WeakPolarHBondContact O-CD 3.41Å |
| 436 | D | 85.4 | Confident | 93.1 | Very high | 49 Ų | 49 | 39.9 Ų | 39.9 | 26% | 0.262 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -80.6 | 110.4 | 170.4 | 172.1 | 0.5 | 0 | 0 | 0 | 108.1 | R250 S433 L434 I438 L439 H440 | R250-D436 IonicContact CZ-OD2 2.84Å; R250-D436 IonicContact NE-OD2 3.42Å; R250-D436 PolarHBondContact NE-OD2 3.47Å; R250-D436 IonicContact NH2-OD2 2.73Å; R250-D436 PolarHBondContact NH2-OD2 3.08Å; S433-D436 PolarHBondContact O-N 3.2Å; S433-D436 VanDerWaalsContact O-N 3.08Å; L434-D436 VanDerWaalsContact C-N 3.32Å; D436-I438 PolarHBondContact O-N 2.9Å; D436-I438 WeakPolarHBondContact OD1-CB 3.27Å; D436-I438 PolarHBondContact OD1-N 3.21Å; D436-L439 HydrophobicContact CB-CB 3.92Å; D436-L439 PolarHBondContact O-N 3.34Å; D436-L439 PolarHBondContact OD1-N 3.07Å; D436-L439 WeakPolarHBondContact OD2-CB 3.34Å; D436-H440 PolarHBondContact O-N 3.09Å |
| 437 | P | 86 | Confident | 93.2 | Very high | 102 Ų | 102 | 43.5 Ų | 43.5 | 66% | 0.662 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -63.2 | -29.7 | -177.3 | 25.6 | -33.5 | 0 | 0 | 0 | 112.6 | R435 G441 | R435-P437 WeakPolarHBondContact O-CD 3.41Å; P437-G441 PolarHBondContact O-N 2.9Å |
| 438 | I | 89 | Confident | 93.1 | Very high | 62 Ų | 62 | 50.3 Ų | 50.3 | 32% | 0.318 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -68.8 | -47.6 | 177 | -61.8 | 175.6 | 0 | 0 | 0 | 109.3 | L279 D436 G441 V442 | L279-I438 HydrophobicContact CD1-CG2 3.98Å; L279-I438 HydrophobicContact CD2-CG2 3.94Å; D436-I438 PolarHBondContact O-N 2.9Å; D436-I438 WeakPolarHBondContact OD1-CB 3.27Å; D436-I438 PolarHBondContact OD1-N 3.21Å; I438-G441 PolarHBondContact O-N 2.8Å; I438-V442 HydrophobicContact CG2-CG2 4.45Å; I438-V442 VanDerWaalsContact O-CG2 3.24Å; I438-V442 WeakPolarHBondContact O-CG2 3.22Å; I438-V442 PolarHBondContact O-N 3.13Å |
| 439 | L | 91.7 | Very high | 93.2 | Very high | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.016 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.7 | -38.7 | -179.7 | -174.9 | 51 | 0 | 0 | 0 | 112.3 | I252 D299 L300 D436 V442 I443 | I252-L439 HydrophobicContact CD1-CD1 3.93Å; D299-L439 HydrophobicContact CB-CD1 3.98Å; D299-L439 HydrophobicContact CB-CD2 3.93Å; L300-L439 HydrophobicContact CD1-CD1 4.28Å; L300-L439 HydrophobicContact CD2-CD1 3.99Å; L300-L439 HydrophobicContact CG-CD1 4.1Å; D436-L439 HydrophobicContact CB-CB 3.92Å; D436-L439 PolarHBondContact O-N 3.34Å; D436-L439 PolarHBondContact OD1-N 3.07Å; D436-L439 WeakPolarHBondContact OD2-CB 3.34Å; L439-V442 PolarHBondContact O-N 3.09Å; L439-I443 HydrophobicContact CD1-CG1 4.5Å; L439-I443 HydrophobicContact CG-CD1 4.29Å; L439-I443 WeakPolarHBondContact O-CG1 3.3Å; L439-I443 PolarHBondContact O-N 3.11Å |
| 440 | H | 93.4 | Very high | 93.1 | Very high | 79 Ų | 79 | 54.7 Ų | 54.7 | 37% | 0.366 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -57.5 | -51 | 172.1 | -170.3 | 166.8 | 0 | 0 | 0 | 110.8 | L434 D436 V442 I443 D444 | L434-H440 HydrophobicContact CD2-CB 4.34Å; D436-H440 PolarHBondContact O-N 3.09Å; H440-V442 VanDerWaalsContact C-N 3.29Å; H440-V442 PolarHBondContact O-N 3.27Å; H440-I443 PolarHBondContact O-N 3.18Å; H440-I443 VanDerWaalsContact O-N 3.16Å; H440-D444 IonicContact CD2-OD2 3.93Å; H440-D444 IonicContact NE2-OD2 2.72Å; H440-D444 PolarHBondContact O-N 3.41Å; H440-D444 VanDerWaalsContact O-N 3.14Å |
| 441 | G | 94.2 | Very high | 93 | Very high | 14 Ų | 14 | 57.3 Ų | 57.3 | 14% | 0.144 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61 | -35.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y276 P437 I438 D444 V445 | Y276-G441 WeakPolarHBondContact OH-CA 3.32Å; P437-G441 PolarHBondContact O-N 2.9Å; I438-G441 PolarHBondContact O-N 2.8Å; G441-D444 PolarHBondContact O-N 2.82Å; G441-V445 WeakPolarHBondContact O-CG2 3.48Å; G441-V445 PolarHBondContact O-N 3.37Å |
| 442 | V | 95.9 | Very high | 93 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.7 | -41.6 | 175 | 167.7 | 0 | 0 | 0 | 0 | 111.7 | I252 I272 Y276 L279 L300 I438 L439 H440 D444 V445 I446 | I252-V442 HydrophobicContact CD1-CB 4.23Å; I252-V442 HydrophobicContact CD1-CG1 4.2Å; I252-V442 HydrophobicContact CD1-CG2 3.84Å; I252-V442 HydrophobicContact CG1-CG2 4.45Å; I252-V442 HydrophobicContact CG2-CG1 4.39Å; I272-V442 HydrophobicContact CD1-CG1 3.73Å; I272-V442 HydrophobicContact CG1-CG1 4.16Å; Y276-V442 HydrophobicContact CD2-CG2 4.04Å; Y276-V442 HydrophobicContact CE2-CG2 4.07Å; L279-V442 HydrophobicContact CD1-CG2 3.62Å; L300-V442 HydrophobicContact CD1-CG1 4.3Å; I438-V442 HydrophobicContact CG2-CG2 4.45Å; I438-V442 VanDerWaalsContact O-CG2 3.24Å; I438-V442 WeakPolarHBondContact O-CG2 3.22Å; I438-V442 PolarHBondContact O-N 3.13Å; L439-V442 PolarHBondContact O-N 3.09Å; H440-V442 VanDerWaalsContact C-N 3.29Å; H440-V442 PolarHBondContact O-N 3.27Å; V442-D444 VanDerWaalsContact C-N 3.31Å; V442-D444 PolarHBondContact O-N 2.9Å; V442-V445 PolarHBondContact O-N 3.3Å; V442-I446 HydrophobicContact CG1-CD1 3.94Å; V442-I446 HydrophobicContact CG1-CG1 4.48Å; V442-I446 WeakPolarHBondContact O-CG1 3.4Å; V442-I446 PolarHBondContact O-N 2.72Å |
| 443 | I | 97.6 | Very high | 93 | Very high | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.2 | -44.9 | 176 | -71.1 | 162.5 | 0 | 0 | 0 | 110.2 | L300 I427 Y429 L434 L439 H440 I446 R447 | L300-I443 HydrophobicContact CD2-CD1 3.95Å; L300-I443 HydrophobicContact CD2-CG1 3.65Å; I427-I443 HydrophobicContact CD1-CG1 4.41Å; Y429-I443 HydrophobicContact CD1-CD1 3.91Å; Y429-I443 HydrophobicContact CD1-CG1 4.37Å; Y429-I443 HydrophobicContact CD1-CG2 4.41Å; Y429-I443 HydrophobicContact CD2-CD1 3.88Å; Y429-I443 HydrophobicContact CE1-CD1 4.23Å; Y429-I443 HydrophobicContact CE1-CG2 3.95Å; Y429-I443 HydrophobicContact CE2-CD1 4.2Å; Y429-I443 HydrophobicContact CG-CD1 3.73Å; L434-I443 HydrophobicContact CD2-CD1 3.9Å; L439-I443 HydrophobicContact CD1-CG1 4.5Å; L439-I443 HydrophobicContact CG-CD1 4.29Å; L439-I443 WeakPolarHBondContact O-CG1 3.3Å; L439-I443 PolarHBondContact O-N 3.11Å; H440-I443 PolarHBondContact O-N 3.18Å; H440-I443 VanDerWaalsContact O-N 3.16Å; I443-I446 PolarHBondContact O-N 2.59Å; I443-R447 HydrophobicContact CG2-CG 4.31Å; I443-R447 VanDerWaalsContact O-CG 3.22Å; I443-R447 WeakPolarHBondContact O-CG 3.47Å; I443-R447 PolarHBondContact O-N 3.03Å |
| 444 | D | 97.4 | Very high | 93.3 | Very high | 53 Ų | 53 | 57.2 Ų | 57.2 | 28% | 0.283 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -67 | -39.1 | 179 | -72.7 | -26.7 | 0 | 0 | 0 | 112.7 | H440 G441 V442 I446 R447 N448 | H440-D444 IonicContact CD2-OD2 3.93Å; H440-D444 IonicContact NE2-OD2 2.72Å; H440-D444 PolarHBondContact O-N 3.41Å; H440-D444 VanDerWaalsContact O-N 3.14Å; G441-D444 PolarHBondContact O-N 2.82Å; V442-D444 VanDerWaalsContact C-N 3.31Å; V442-D444 PolarHBondContact O-N 2.9Å; D444-I446 VanDerWaalsContact C-N 3.32Å; D444-I446 PolarHBondContact O-N 3.23Å; D444-R447 PolarHBondContact O-N 3.29Å; D444-R447 IonicContact OD1-NH1 2.74Å; D444-R447 PolarHBondContact OD1-NH1 3.02Å; D444-N448 WeakPolarHBondContact O-CB 3.22Å; D444-N448 PolarHBondContact O-N 3.22Å; D444-N448 PolarHBondContact O-ND2 3.27Å; D444-N448 VanDerWaalsContact O-ND2 3.12Å |
| 445 | V | 97.9 | Very high | 93.7 | Very high | 15 Ų | 15 | 57.4 Ų | 57.4 | 9% | 0.091 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.1 | -41.4 | 173.4 | 167.4 | 0 | 0 | 0 | 0 | 111.4 | A271 I272 H275 Y276 G441 V442 A449 | A271-V445 HydrophobicContact CB-CG1 3.72Å; A271-V445 WeakPolarHBondContact O-CG1 3.27Å; I272-V445 HydrophobicContact CG1-CG1 4.45Å; H275-V445 HydrophobicContact CB-CG2 3.99Å; Y276-V445 HydrophobicContact CE2-CG2 3.97Å; G441-V445 WeakPolarHBondContact O-CG2 3.48Å; G441-V445 PolarHBondContact O-N 3.37Å; V442-V445 PolarHBondContact O-N 3.3Å; V445-A449 PolarHBondContact O-N 2.88Å |
| 446 | I | 98.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.2 | -48 | 175.9 | -67 | 168.4 | 0 | 0 | 0 | 110.2 | I254 I268 I272 L300 I302 L317 I427 V442 I443 D444 N448 A449 F450 | I254-I446 HydrophobicContact CD1-CD1 4.16Å; I268-I446 HydrophobicContact CD1-CG2 4.19Å; I268-I446 HydrophobicContact CG1-CG1 4.33Å; I268-I446 HydrophobicContact CG1-CG2 4.12Å; I268-I446 HydrophobicContact CG2-CD1 4.09Å; I268-I446 HydrophobicContact CG2-CG1 3.98Å; I272-I446 HydrophobicContact CD1-CD1 4.19Å; I272-I446 HydrophobicContact CD1-CG1 4.26Å; I272-I446 HydrophobicContact CG1-CG1 4.39Å; L300-I446 HydrophobicContact CD1-CD1 3.59Å; I302-I446 HydrophobicContact CD1-CG2 4.45Å; L317-I446 HydrophobicContact CD1-CG2 4.12Å; L317-I446 HydrophobicContact CD2-CG2 4.03Å; I427-I446 HydrophobicContact CD1-CB 4.31Å; I427-I446 HydrophobicContact CD1-CD1 3.99Å; I427-I446 HydrophobicContact CD1-CG2 4.01Å; V442-I446 HydrophobicContact CG1-CD1 3.94Å; V442-I446 HydrophobicContact CG1-CG1 4.48Å; V442-I446 WeakPolarHBondContact O-CG1 3.4Å; V442-I446 PolarHBondContact O-N 2.72Å; I443-I446 PolarHBondContact O-N 2.59Å; D444-I446 VanDerWaalsContact C-N 3.32Å; D444-I446 PolarHBondContact O-N 3.23Å; I446-N448 VanDerWaalsContact C-N 3.3Å; I446-N448 PolarHBondContact O-N 3.12Å; I446-A449 WeakPolarHBondContact O-CB 3.32Å; I446-A449 PolarHBondContact O-N 3.35Å; I446-F450 HydrophobicContact CG2-CD2 4.31Å; I446-F450 HydrophobicContact CG2-CE2 4.27Å; I446-F450 WeakPolarHBondContact O-CD2 3.22Å |
| 447 | R | 97.3 | Very high | 94.9 | Very high | 85 Ų | 85 | 48.1 Ų | 48.1 | 32% | 0.321 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59.4 | -40.2 | -179.1 | -71.2 | 170.2 | 64.9 | -147.1 | -0.9 | 112.5 | H315 L317 I427 I443 D444 A449 | H315-R447 PolarHBondContact CD2-NE 3.47Å; H315-R447 VanDerWaalsContact CD2-NE 3.28Å; H315-R447 PolarHBondContact CE1-NH2 3.15Å; H315-R447 PolarHBondContact NE2-NE 3.35Å; L317-R447 HydrophobicContact CD2-CG 4.33Å; I427-R447 HydrophobicContact CG2-CG 4.44Å; I443-R447 HydrophobicContact CG2-CG 4.31Å; I443-R447 VanDerWaalsContact O-CG 3.22Å; I443-R447 WeakPolarHBondContact O-CG 3.47Å; I443-R447 PolarHBondContact O-N 3.03Å; D444-R447 PolarHBondContact O-N 3.29Å; D444-R447 IonicContact OD1-NH1 2.74Å; D444-R447 PolarHBondContact OD1-NH1 3.02Å; R447-A449 PolarHBondContact O-N 3.35Å |
| 448 | N | 97.1 | Very high | 95.6 | Very high | 142 Ų | 142 | 44 Ų | 44 | 76% | 0.759 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73 | -13.6 | 178.5 | -67.7 | -28.5 | 0 | 0 | 0 | 113.6 | D444 I446 | D444-N448 WeakPolarHBondContact O-CB 3.22Å; D444-N448 PolarHBondContact O-N 3.22Å; D444-N448 PolarHBondContact O-ND2 3.27Å; D444-N448 VanDerWaalsContact O-ND2 3.12Å; I446-N448 VanDerWaalsContact C-N 3.3Å; I446-N448 PolarHBondContact O-N 3.12Å |
| 449 | A | 96.9 | Very high | 96.1 | Very high | 38 Ų | 38 | 42.5 Ų | 42.5 | 31% | 0.314 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -8.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | V267 A271 V445 I446 R447 | V267-A449 HydrophobicContact CG1-CB 4.11Å; A271-A449 HydrophobicContact CB-CB 3.82Å; V445-A449 PolarHBondContact O-N 2.88Å; I446-A449 WeakPolarHBondContact O-CB 3.32Å; I446-A449 PolarHBondContact O-N 3.35Å; R447-A449 PolarHBondContact O-N 3.35Å |
| 450 | F | 95.5 | Very high | 96.5 | Very high | 80 Ų | 80 | 46.1 Ų | 46.1 | 35% | 0.351 | 24% | 0.24 | S | C | . | . | trans | -116.6 | 0 | -178 | -75.5 | -83.3 | 0 | 0 | 0 | 113.5 | V264 V267 I268 L317 F318 I446 | V264-F450 HydrophobicContact CB-CE1 4.26Å; V264-F450 HydrophobicContact CB-CZ 3.74Å; V264-F450 HydrophobicContact CG1-CE1 4.12Å; V264-F450 HydrophobicContact CG1-CZ 4.09Å; V267-F450 HydrophobicContact CB-CZ 4.01Å; V267-F450 HydrophobicContact CG1-CE1 4.48Å; V267-F450 HydrophobicContact CG1-CE2 4.26Å; V267-F450 HydrophobicContact CG1-CZ 4.04Å; I268-F450 HydrophobicContact CD1-CE2 4.12Å; I268-F450 HydrophobicContact CD1-CZ 4.41Å; I268-F450 HydrophobicContact CG1-CE2 3.66Å; I268-F450 HydrophobicContact CG1-CZ 4.09Å; L317-F450 HydrophobicContact CB-CB 3.9Å; L317-F450 HydrophobicContact CB-CD1 4.45Å; L317-F450 HydrophobicContact CB-CD2 4.26Å; L317-F450 HydrophobicContact CB-CG 3.94Å; L317-F450 HydrophobicContact CD1-CD2 3.97Å; L317-F450 HydrophobicContact CD1-CE2 4.15Å; L317-F450 HydrophobicContact CD1-CG 4.43Å; L317-F450 HydrophobicContact CD2-CB 4.42Å; L317-F450 HydrophobicContact CD2-CD2 4.17Å; L317-F450 HydrophobicContact CG-CD2 4.37Å; L317-F450 WeakPolarHBondContact O-CB 3.33Å; F318-F450 AromaticContact CD1-CD1 3.63Å; F318-F450 HydrophobicContact CD1-CD1 3.63Å; F318-F450 HydrophobicContact CD1-CE1 4.07Å; F318-F450 HydrophobicContact CD1-CG 4.41Å; F318-F450 HydrophobicContact CE1-CD1 4.05Å; F318-F450 HydrophobicContact CE1-CE1 4.01Å; I446-F450 HydrophobicContact CG2-CD2 4.31Å; I446-F450 HydrophobicContact CG2-CE2 4.27Å; I446-F450 WeakPolarHBondContact O-CD2 3.22Å |
Retrieved 450 of 450 residues in 83.9 ms
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