| 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 | 82.9 | Confident | 92.2 | Very high | 112 Ų | 112 | 20.8 Ų | 20.8 | 55% | 0.552 | 11% | 0.112 | S | C | * | . | 0 | 149.9 | 0 | -163 | 173.4 | -85.3 | 0 | 0 | 107.9 | L174 C176 G178 K270 | M1-L174 HydrophobicContact CG-CD2 4.12Å; M1-L174 HydrophobicContact SD-CD1 3.57Å; M1-L174 VanDerWaalsContact SD-CD1 3.57Å; M1-L174 HydrophobicContact SD-CD2 3.44Å; M1-L174 WeakPolarHBondContact SD-CD2 3.33Å; M1-L174 HydrophobicContact SD-CG 3.62Å; M1-C176 PolarHBondContact N-O 3.31Å; M1-G178 VanDerWaalsContact SD-CA 3.54Å; M1-K270 WeakPolarHBondContact CE-O 3.46Å | |||
| 2 | N | 91.9 | Very high | 89.6 | Confident | 94 Ų | 94 | 19.4 Ų | 19.4 | 50% | 0.503 | 11% | 0.105 | S | C | . | . | trans | -80 | 121.2 | 176 | -70.9 | 6.4 | 0 | 0 | 0 | 108.6 | D290 | N2-D290 WeakPolarHBondContact CB-OD1 3.42Å; N2-D290 PolarHBondContact ND2-OD1 3.05Å | ||
| 3 | P | 97.2 | Very high | 87.8 | Confident | 16 Ų | 16 | 18.2 Ų | 18.2 | 10% | 0.104 | 10% | 0.1 | C | C | . | . | trans | -67.6 | 152.9 | -178.6 | 27.9 | -33.6 | 0 | 0 | 0 | 110.9 | Y35 L38 L174 | P3-Y35 HydrophobicContact CG-CE2 4.27Å; P3-Y35 WeakPolarHBondContact O-CE2 3.4Å; P3-L38 HydrophobicContact CB-CB 3.7Å; P3-L38 HydrophobicContact CB-CD1 3.96Å; P3-L38 HydrophobicContact CB-CG 4.32Å; P3-L38 HydrophobicContact CG-CB 4.33Å; P3-L174 WeakPolarHBondContact CA-O 3.49Å | ||
| 4 | I | 98.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 145 | 173.3 | 174.1 | 170.2 | 0 | 0 | 0 | 109.6 | V6 L38 A173 L174 V268 W274 A288 K289 | I4-V6 HydrophobicContact CD1-CG2 3.83Å; I4-V6 HydrophobicContact CG1-CG2 4.05Å; I4-L38 WeakPolarHBondContact O-CD1 3.5Å; I4-A173 CarbonylContact O-C 3.6Å; I4-A173 VanDerWaalsContact O-CA 3.23Å; I4-A173 WeakPolarHBondContact O-CA 3.41Å; I4-L174 HydrophobicContact CG2-CB 3.73Å; I4-L174 HydrophobicContact CG2-CD2 4.24Å; I4-L174 PolarHBondContact N-O 2.77Å; I4-L174 PolarHBondContact O-N 2.95Å; I4-V268 HydrophobicContact CG2-CG2 3.6Å; I4-W274 HydrophobicContact CD1-CB 3.65Å; I4-W274 HydrophobicContact CD1-CD2 4.04Å; I4-W274 HydrophobicContact CD1-CG 3.27Å; I4-A288 WeakPolarHBondContact CA-O 3.42Å; I4-K289 HydrophobicContact CB-CB 4.24Å; I4-K289 HydrophobicContact CB-CD 4.48Å; I4-K289 HydrophobicContact CB-CG 4.15Å; I4-K289 HydrophobicContact CD1-CB 4.15Å; I4-K289 HydrophobicContact CD1-CD 4.14Å; I4-K289 HydrophobicContact CD1-CG 4.43Å; I4-K289 HydrophobicContact CG1-CB 4.15Å |
| 5 | V | 98.7 | Very high | 86.4 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 140.8 | 162 | 64.5 | 0 | 0 | 0 | 0 | 109.3 | V7 A31 Y35 L38 V172 A173 A287 A288 | V5-V7 HydrophobicContact CG2-CG1 4.1Å; V5-A31 WeakPolarHBondContact CG1-O 3.33Å; V5-Y35 HydrophobicContact CG1-CD2 4.39Å; V5-L38 HydrophobicContact CB-CD1 4.15Å; V5-V172 WeakPolarHBondContact CA-O 3.43Å; V5-A173 HydrophobicContact CB-CB 4.43Å; V5-A173 HydrophobicContact CG2-CB 4.38Å; V5-A287 CarbonylContact O-C 3.5Å; V5-A287 WeakPolarHBondContact O-CA 3.38Å; V5-A288 HydrophobicContact CG1-CB 3.88Å; V5-A288 PolarHBondContact N-O 2.62Å; V5-A288 VanDerWaalsContact N-O 3.16Å; V5-A288 PolarHBondContact O-N 3.49Å |
| 6 | V | 98.8 | Very high | 86.3 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 139.9 | 169.4 | -169.1 | 0 | 0 | 0 | 0 | 107.4 | I4 A171 V172 I266 W274 A286 A287 | I4-V6 HydrophobicContact CD1-CG2 3.83Å; I4-V6 HydrophobicContact CG1-CG2 4.05Å; V6-A171 CarbonylContact O-C 3.5Å; V6-A171 VanDerWaalsContact O-CA 3.25Å; V6-A171 WeakPolarHBondContact O-CA 3.28Å; V6-V172 HydrophobicContact CB-CG2 3.8Å; V6-V172 HydrophobicContact CG2-CG2 4.28Å; V6-V172 PolarHBondContact N-O 3.22Å; V6-V172 PolarHBondContact O-N 3.21Å; V6-I266 HydrophobicContact CB-CB 4.37Å; V6-I266 HydrophobicContact CB-CD1 4.43Å; V6-I266 HydrophobicContact CG1-CB 3.8Å; V6-I266 HydrophobicContact CG1-CD1 4.37Å; V6-I266 HydrophobicContact CG1-CG2 3.76Å; V6-I266 VanDerWaalsContact O-CD1 3.3Å; V6-I266 WeakPolarHBondContact O-CD1 3.22Å; V6-W274 HydrophobicContact CG1-CE3 4.26Å; V6-W274 HydrophobicContact CG2-CB 3.91Å; V6-W274 HydrophobicContact CG2-CD2 4.14Å; V6-W274 HydrophobicContact CG2-CE3 4.03Å; V6-W274 HydrophobicContact CG2-CG 4.11Å; V6-A286 CarbonylContact C-O 3.58Å; V6-A286 WeakPolarHBondContact CA-O 3.47Å; V6-A287 HydrophobicContact CB-CB 4.44Å; V6-A287 HydrophobicContact CG1-CB 4.15Å; V6-A287 HydrophobicContact CG2-CB 3.99Å |
| 7 | V | 98.8 | Very high | 86.1 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 152.2 | -179.9 | -56.6 | 0 | 0 | 0 | 0 | 110.9 | V5 M27 A30 A31 A51 G170 A171 W285 A286 | V5-V7 HydrophobicContact CG2-CG1 4.1Å; V7-M27 HydrophobicContact CG2-SD 4.26Å; V7-A30 HydrophobicContact CG1-CB 4.48Å; V7-A30 HydrophobicContact CG2-CB 4.4Å; V7-A31 HydrophobicContact CG2-CB 4.08Å; V7-A51 HydrophobicContact CG1-CB 3.87Å; V7-G170 CarbonylContact C-O 3.46Å; V7-G170 VanDerWaalsContact CA-O 3.26Å; V7-G170 WeakPolarHBondContact CA-O 3.37Å; V7-A171 HydrophobicContact CG1-CB 3.96Å; V7-W285 WeakPolarHBondContact O-CA 3.41Å; V7-W285 WeakPolarHBondContact O-CB 3.34Å; V7-A286 HydrophobicContact CG2-CB 3.83Å; V7-A286 PolarHBondContact N-O 2.9Å; V7-A286 PolarHBondContact O-N 3.17Å |
| 8 | H | 97.9 | Very high | 86.1 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 145.5 | 166.7 | 67.1 | 69.9 | 0 | 0 | 0 | 112.1 | T168 V169 G170 S217 I266 M283 P284 | H8-T168 PolarHBondContact CE1-O 2.89Å; H8-T168 PolarHBondContact ND1-O 3.15Å; H8-V169 VanDerWaalsContact CE1-C 3.49Å; H8-V169 WeakPolarHBondContact O-CA 3.44Å; H8-G170 PolarHBondContact CE1-N 2.83Å; H8-G170 VanDerWaalsContact CE1-N 3.3Å; H8-G170 PolarHBondContact N-O 3.08Å; H8-G170 PolarHBondContact ND1-N 2.71Å; H8-G170 PolarHBondContact O-N 2.94Å; H8-G170 VanDerWaalsContact O-N 3.07Å; H8-S217 PolarHBondContact NE2-OG 3.42Å; H8-I266 HydrophobicContact CB-CG2 3.99Å; H8-M283 HydrophobicContact CB-CG 4.41Å; H8-M283 HydrophobicContact CB-SD 4.37Å; H8-P284 CarbonylContact C-O 3.52Å; H8-P284 VanDerWaalsContact CA-O 3.28Å; H8-P284 WeakPolarHBondContact CA-O 3.28Å |
| 9 | G | 95.7 | Very high | 86.2 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -96.7 | 7.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | M27 L166 P284 | G9-M27 PolarHBondContact N-SD 2.91Å; G9-L166 WeakPolarHBondContact O-CD2 3.32Å; G9-P284 PolarHBondContact N-O 3.42Å | ||
| 10 | G | 85.6 | Confident | 86.5 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | 103.5 | 130.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | A12 T168 T219 P284 | G10-A12 PolarHBondContact O-N 3.37Å; G10-T168 WeakPolarHBondContact CA-O 3.43Å; G10-T168 PolarHBondContact N-O 3.44Å; G10-T219 VanDerWaalsContact CA-OG1 3.26Å; G10-T219 WeakPolarHBondContact CA-OG1 3.26Å; G10-P284 VanDerWaalsContact O-CD 3.23Å; G10-P284 WeakPolarHBondContact O-CD 3.49Å | ||
| 11 | G | 67.7 | Low | 86.7 | Confident | 7 Ų | 7 | 41.9 Ų | 41.9 | 7% | 0.072 | 22% | 0.217 | C | C | . | . | trans | -68.4 | 122.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | T219 | G11-T219 PolarHBondContact N-OG1 3.45Š| ||
| 12 | A | 61 | Low | 87.2 | Confident | 4 Ų | 4 | 41.3 Ų | 41.3 | 3% | 0.033 | 21% | 0.209 | C | C | . | . | B | Isolated β-bridge | trans | -140.5 | 167.9 | -165.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | G10 N165 T281 S282 | G10-A12 PolarHBondContact O-N 3.37Å; A12-N165 WeakPolarHBondContact CA-O 3.36Å; A12-N165 WeakPolarHBondContact CB-O 3.42Å; A12-T281 PolarHBondContact O-N 3.16Å; A12-S282 PolarHBondContact N-O 3.01Å; A12-S282 PolarHBondContact O-N 3.4Å; A12-S282 VanDerWaalsContact O-N 3.11Å; A12-S282 VanDerWaalsContact O-O 3.08Å |
| 13 | G | 67 | Low | 87.3 | Confident | 3 Ų | 3 | 36.8 Ų | 36.8 | 3% | 0.031 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -74.7 | -166.3 | 156 | 0 | 0 | 0 | 0 | 0 | 112.1 | I15 Q163 | G13-I15 PolarHBondContact O-N 3.06Å; G13-Q163 VanDerWaalsContact CA-O 3.22Å; G13-Q163 WeakPolarHBondContact CA-O 3.37Å |
| 14 | P | 71.1 | Confident | 87.1 | Confident | 96 Ų | 96 | 37.8 Ų | 37.8 | 62% | 0.623 | 19% | 0.188 | S | C | * | . | P | Polyproline II helix | trans | -62.9 | 130.5 | -165.5 | 23.9 | -33.4 | 0 | 0 | 0 | 112.8 | ||
| 15 | I | 83.4 | Confident | 86.9 | Confident | 11 Ų | 11 | 42.1 Ų | 42.1 | 6% | 0.056 | 21% | 0.208 | C | C | . | . | P | Polyproline II helix | trans | -88.1 | 126.7 | 171.3 | -58.1 | 178.8 | 0 | 0 | 0 | 108.4 | G13 R19 K20 V23 L166 P284 I297 | G13-I15 PolarHBondContact O-N 3.06Å; I15-R19 HydrophobicContact CG2-CB 3.79Å; I15-K20 HydrophobicContact CB-CG 4.24Å; I15-K20 HydrophobicContact CG2-CG 3.88Å; I15-K20 WeakPolarHBondContact O-CE 3.21Å; I15-V23 HydrophobicContact CD1-CG1 4.29Å; I15-V23 HydrophobicContact CG2-CG2 4.39Å; I15-L166 HydrophobicContact CD1-CD2 3.84Å; I15-L166 HydrophobicContact CD1-CG 4.29Å; I15-P284 HydrophobicContact CD1-CG 3.5Å; I15-I297 HydrophobicContact CD1-CD1 4.31Å; I15-I297 HydrophobicContact CD1-CG2 3.9Å |
| 16 | S | 84 | Confident | 86.8 | Confident | 51 Ų | 51 | 42.1 Ų | 42.1 | 36% | 0.357 | 21% | 0.208 | S | C | . | . | P | Polyproline II helix | trans | -63.2 | 147.6 | 178.7 | 63.1 | 0 | 0 | 0 | 0 | 111.4 | D18 R19 K20 | S16-D18 WeakPolarHBondContact CB-OD1 3.3Å; S16-D18 PolarHBondContact O-N 3.35Å; S16-D18 PolarHBondContact OG-OD1 3.05Å; S16-R19 WeakPolarHBondContact O-CB 3.28Å; S16-R19 PolarHBondContact O-N 3.39Å; S16-R19 VanDerWaalsContact OG-CD 3.32Å; S16-R19 WeakPolarHBondContact OG-CD 3.28Å; S16-R19 VanDerWaalsContact OG-CG 3.23Å; S16-R19 WeakPolarHBondContact OG-CG 3.49Å; S16-K20 PolarHBondContact O-N 2.9Å; S16-K20 VanDerWaalsContact O-N 3.1Å |
| 17 | K | 84.2 | Confident | 86.7 | Confident | 194 Ų | 194 | 42.2 Ų | 42.2 | 84% | 0.843 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -55.8 | -38.7 | -174.3 | -171.6 | 179.3 | 179.9 | -179.5 | 0 | 113 | R19 K20 | K17-R19 PolarHBondContact O-N 3.2Å; K17-K20 PolarHBondContact O-N 3.21Å |
| 18 | D | 85.2 | Confident | 86.6 | Confident | 99 Ų | 99 | 44 Ų | 44 | 53% | 0.529 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -66.7 | -23.5 | 177.8 | 67.3 | -64 | 0 | 0 | 0 | 113.4 | S16 R22 | S16-D18 WeakPolarHBondContact CB-OD1 3.3Å; S16-D18 PolarHBondContact O-N 3.35Å; S16-D18 PolarHBondContact OG-OD1 3.05Å; D18-R22 PolarHBondContact O-NH1 2.89Å; D18-R22 IonicContact OD2-NH2 3.44Å |
| 19 | R | 89.1 | Confident | 86.6 | Confident | 24 Ų | 24 | 49.9 Ų | 49.9 | 9% | 0.091 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -92.6 | -28.6 | -180 | -67.7 | -176.4 | 67.1 | -122.7 | -17.1 | 112.8 | I15 S16 K17 E21 R22 V23 E60 | I15-R19 HydrophobicContact CG2-CB 3.79Å; S16-R19 WeakPolarHBondContact O-CB 3.28Å; S16-R19 PolarHBondContact O-N 3.39Å; S16-R19 VanDerWaalsContact OG-CD 3.32Å; S16-R19 WeakPolarHBondContact OG-CD 3.28Å; S16-R19 VanDerWaalsContact OG-CG 3.23Å; S16-R19 WeakPolarHBondContact OG-CG 3.49Å; K17-R19 PolarHBondContact O-N 3.2Å; R19-E21 PolarHBondContact O-N 3.32Å; R19-R22 PolarHBondContact O-N 2.91Å; R19-R22 VanDerWaalsContact O-N 3.09Å; R19-V23 WeakPolarHBondContact O-CG2 3.48Å; R19-V23 PolarHBondContact O-N 3.3Å; R19-E60 IonicContact CZ-OE2 3.83Å; R19-E60 VanDerWaalsContact CZ-OE2 3.3Å; R19-E60 IonicContact NE-OE2 3.63Å; R19-E60 PolarHBondContact NE-OE2 2.95Å; R19-E60 PolarHBondContact NH2-O 2.87Å; R19-E60 IonicContact NH2-OE2 2.89Å; R19-E60 PolarHBondContact NH2-OE2 3.06Å |
| 20 | K | 90.5 | Very high | 86.8 | Confident | 60 Ų | 60 | 49.9 Ų | 49.9 | 26% | 0.261 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -51.4 | -43.8 | -178.4 | -74.7 | -170.4 | 173.5 | -169.4 | 0 | 112.2 | I15 S16 K17 V23 H24 I297 D298 | I15-K20 HydrophobicContact CB-CG 4.24Å; I15-K20 HydrophobicContact CG2-CG 3.88Å; I15-K20 WeakPolarHBondContact O-CE 3.21Å; S16-K20 PolarHBondContact O-N 2.9Å; S16-K20 VanDerWaalsContact O-N 3.1Å; K17-K20 PolarHBondContact O-N 3.21Å; K20-V23 PolarHBondContact O-N 3.4Å; K20-H24 WeakPolarHBondContact O-CB 3.4Å; K20-H24 PolarHBondContact O-CD2 3.29Å; K20-H24 PolarHBondContact O-N 3.38Å; K20-I297 HydrophobicContact CB-CD1 4.1Å; K20-I297 HydrophobicContact CG-CD1 4.05Å; K20-D298 IonicContact NZ-OD2 2.62Å; K20-D298 PolarHBondContact NZ-OD2 3.09Å |
| 21 | E | 92.2 | Very high | 87.4 | Confident | 108 Ų | 108 | 49.9 Ų | 49.9 | 51% | 0.505 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62 | -47.5 | 178.3 | -178.1 | 55 | -148 | 0 | 0 | 112.7 | R19 V23 H24 Q25 | R19-E21 PolarHBondContact O-N 3.32Å; E21-V23 VanDerWaalsContact C-N 3.33Å; E21-V23 PolarHBondContact O-N 2.85Å; E21-H24 WeakPolarHBondContact O-CB 3.41Å; E21-H24 PolarHBondContact O-N 3.07Å; E21-Q25 WeakPolarHBondContact O-CG 3.44Å; E21-Q25 PolarHBondContact O-N 2.82Å; E21-Q25 PolarHBondContact OE1-NE2 3.45Å |
| 22 | R | 93.4 | Very high | 88.8 | Confident | 100 Ų | 100 | 51.4 Ų | 51.4 | 38% | 0.377 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -65.7 | -38.1 | 178.2 | -65.3 | -168.5 | -65.1 | -73.8 | 0.1 | 111.9 | D18 R19 Q25 G26 E60 | D18-R22 PolarHBondContact O-NH1 2.89Å; D18-R22 IonicContact OD2-NH2 3.44Å; R19-R22 PolarHBondContact O-N 2.91Å; R19-R22 VanDerWaalsContact O-N 3.09Å; R22-Q25 PolarHBondContact O-N 3.47Å; R22-G26 PolarHBondContact O-N 2.85Å; R22-E60 HydrophobicContact CB-CG 3.86Å; R22-E60 IonicContact CZ-OE1 2.96Å; R22-E60 IonicContact NE-OE1 2.78Å; R22-E60 PolarHBondContact NE-OE1 2.79Å; R22-E60 IonicContact NH2-OE1 3.61Å; R22-E60 PolarHBondContact NH2-OE1 2.88Å |
| 23 | V | 93.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.9 | -42.3 | 175.3 | 170.8 | 0 | 0 | 0 | 0 | 111.2 | I15 R19 K20 E21 G26 M27 E60 F61 L166 P284 I297 | I15-V23 HydrophobicContact CD1-CG1 4.29Å; I15-V23 HydrophobicContact CG2-CG2 4.39Å; R19-V23 WeakPolarHBondContact O-CG2 3.48Å; R19-V23 PolarHBondContact O-N 3.3Å; K20-V23 PolarHBondContact O-N 3.4Å; E21-V23 VanDerWaalsContact C-N 3.33Å; E21-V23 PolarHBondContact O-N 2.85Å; V23-G26 PolarHBondContact O-N 3.16Å; V23-M27 WeakPolarHBondContact O-CG 3.33Å; V23-M27 PolarHBondContact O-N 3.22Å; V23-E60 HydrophobicContact CG2-CB 4.41Å; V23-F61 HydrophobicContact CG1-CE1 4.09Å; V23-F61 HydrophobicContact CG1-CZ 4.32Å; V23-L166 HydrophobicContact CG1-CD2 4.41Å; V23-L166 HydrophobicContact CG2-CD1 4.16Å; V23-P284 HydrophobicContact CG1-CB 3.5Å; V23-P284 HydrophobicContact CG1-CG 3.39Å; V23-I297 HydrophobicContact CB-CD1 4.2Å; V23-I297 HydrophobicContact CG1-CD1 3.82Å; V23-I297 HydrophobicContact CG1-CG1 4.4Å |
| 24 | H | 93.1 | Very high | 92.1 | Very high | 36 Ų | 36 | 54 Ų | 54 | 17% | 0.167 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.6 | -50.4 | 172.4 | -76.8 | -173.9 | 0 | 0 | 0 | 110.9 | K20 E21 G26 M27 V28 I297 | K20-H24 WeakPolarHBondContact O-CB 3.4Å; K20-H24 PolarHBondContact O-CD2 3.29Å; K20-H24 PolarHBondContact O-N 3.38Å; E21-H24 WeakPolarHBondContact O-CB 3.41Å; E21-H24 PolarHBondContact O-N 3.07Å; H24-G26 VanDerWaalsContact C-N 3.28Å; H24-G26 PolarHBondContact O-N 3.39Å; H24-M27 PolarHBondContact O-N 3.21Å; H24-M27 VanDerWaalsContact O-N 3.13Å; H24-V28 WeakPolarHBondContact O-CB 3.48Å; H24-V28 VanDerWaalsContact O-CG2 3.26Å; H24-V28 WeakPolarHBondContact O-CG2 3.47Å; H24-V28 PolarHBondContact O-N 3.04Å; H24-I297 WeakPolarHBondContact CD2-CD1 3.38Å; H24-I297 VanDerWaalsContact CD2-CG1 3.46Å; H24-I297 WeakPolarHBondContact CD2-CG1 3.23Å; H24-I297 WeakPolarHBondContact NE2-CD1 3.34Å; H24-I297 VanDerWaalsContact NE2-CG1 3.31Å; H24-I297 WeakPolarHBondContact NE2-CG1 3.47Å |
| 25 | Q | 94.7 | Very high | 93.4 | Very high | 92 Ų | 92 | 50.1 Ų | 50.1 | 43% | 0.43 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -57.9 | -41 | 179 | -69.5 | 172 | 8.3 | 0 | 0 | 112.2 | E21 R22 R29 | E21-Q25 WeakPolarHBondContact O-CG 3.44Å; E21-Q25 PolarHBondContact O-N 2.82Å; E21-Q25 PolarHBondContact OE1-NE2 3.45Å; R22-Q25 PolarHBondContact O-N 3.47Å; Q25-R29 VanDerWaalsContact O-CB 3.26Å; Q25-R29 WeakPolarHBondContact O-CB 3.45Å; Q25-R29 PolarHBondContact O-N 2.92Å |
| 26 | G | 96.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.5 | -45.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | R22 V23 H24 R29 A30 D58 | R22-G26 PolarHBondContact O-N 2.85Å; V23-G26 PolarHBondContact O-N 3.16Å; H24-G26 VanDerWaalsContact C-N 3.28Å; H24-G26 PolarHBondContact O-N 3.39Å; G26-R29 PolarHBondContact O-N 3.42Å; G26-A30 WeakPolarHBondContact O-CB 3.39Å; G26-A30 PolarHBondContact O-N 2.91Å; G26-D58 WeakPolarHBondContact CA-OD2 3.41Å |
| 27 | M | 96.8 | Very high | 94.8 | Very high | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.8 | -45.6 | 176.5 | -69.2 | -69.3 | 89.2 | 0 | 0 | 112.4 | V7 G9 V23 H24 R29 A30 A31 L55 F61 P284 A286 | V7-M27 HydrophobicContact CG2-SD 4.26Å; G9-M27 PolarHBondContact N-SD 2.91Å; V23-M27 WeakPolarHBondContact O-CG 3.33Å; V23-M27 PolarHBondContact O-N 3.22Å; H24-M27 PolarHBondContact O-N 3.21Å; H24-M27 VanDerWaalsContact O-N 3.13Å; M27-R29 VanDerWaalsContact C-N 3.33Å; M27-R29 PolarHBondContact O-N 2.89Å; M27-A30 PolarHBondContact O-N 2.86Å; M27-A31 WeakPolarHBondContact O-CB 3.33Å; M27-A31 PolarHBondContact O-N 3.47Å; M27-L55 HydrophobicContact CE-CD1 3.8Å; M27-L55 HydrophobicContact CE-CD2 3.18Å; M27-L55 HydrophobicContact CE-CG 4.14Å; M27-F61 HydrophobicContact CE-CD1 4.18Å; M27-F61 HydrophobicContact CE-CE1 3.37Å; M27-F61 HydrophobicContact CE-CE2 4.28Å; M27-F61 HydrophobicContact CE-CZ 3.43Å; M27-F61 VanDerWaalsContact CE-CZ 3.43Å; M27-F61 HydrophobicContact CG-CE1 4.49Å; M27-F61 HydrophobicContact CG-CZ 4.35Å; M27-F61 HydrophobicContact SD-CE1 4.39Å; M27-P284 HydrophobicContact CG-CB 3.71Å; M27-P284 HydrophobicContact SD-CB 3.85Å; M27-A286 HydrophobicContact CB-CB 4.1Å |
| 28 | V | 96.9 | Very high | 95.5 | Very high | 37 Ų | 37 | 41.1 Ų | 41.1 | 22% | 0.224 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.5 | -46.5 | 175.6 | 169.1 | 0 | 0 | 0 | 0 | 110.2 | H24 T32 L293 F295 | H24-V28 WeakPolarHBondContact O-CB 3.48Å; H24-V28 VanDerWaalsContact O-CG2 3.26Å; H24-V28 WeakPolarHBondContact O-CG2 3.47Å; H24-V28 PolarHBondContact O-N 3.04Å; V28-T32 VanDerWaalsContact O-CB 3.28Å; V28-T32 WeakPolarHBondContact O-CB 3.45Å; V28-T32 PolarHBondContact O-N 3.48Å; V28-T32 PolarHBondContact O-OG1 2.92Å; V28-L293 HydrophobicContact CB-CD2 4.08Å; V28-L293 HydrophobicContact CG1-CD2 3.68Å; V28-L293 HydrophobicContact CG2-CD2 3.82Å; V28-F295 HydrophobicContact CG2-CD1 4.33Å; V28-F295 HydrophobicContact CG2-CE1 4.46Å; V28-F295 HydrophobicContact CG2-CG 4.37Å |
| 29 | R | 97.9 | Very high | 96 | Very high | 124 Ų | 124 | 44.8 Ų | 44.8 | 47% | 0.468 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -60 | -50.1 | 178.2 | -169.8 | -164.2 | -34.8 | -72.2 | -5.1 | 111.6 | Q25 G26 M27 T32 V33 | Q25-R29 VanDerWaalsContact O-CB 3.26Å; Q25-R29 WeakPolarHBondContact O-CB 3.45Å; Q25-R29 PolarHBondContact O-N 2.92Å; G26-R29 PolarHBondContact O-N 3.42Å; M27-R29 VanDerWaalsContact C-N 3.33Å; M27-R29 PolarHBondContact O-N 2.89Å; R29-T32 PolarHBondContact O-N 3.25Å; R29-V33 WeakPolarHBondContact O-CG2 3.38Å; R29-V33 PolarHBondContact O-N 3.07Å |
| 30 | A | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.6 | -45.6 | -178 | 0 | 0 | 0 | 0 | 0 | 112.5 | V7 G26 M27 T32 V33 G34 A54 L55 | V7-A30 HydrophobicContact CG1-CB 4.48Å; V7-A30 HydrophobicContact CG2-CB 4.4Å; G26-A30 WeakPolarHBondContact O-CB 3.39Å; G26-A30 PolarHBondContact O-N 2.91Å; M27-A30 PolarHBondContact O-N 2.86Å; A30-T32 VanDerWaalsContact C-N 3.34Å; A30-T32 PolarHBondContact O-N 2.93Å; A30-V33 PolarHBondContact O-N 2.68Å; A30-G34 PolarHBondContact O-N 3.37Å; A30-A54 HydrophobicContact CB-CB 4.27Å; A30-L55 HydrophobicContact CB-CD1 4.01Å; A30-L55 HydrophobicContact CB-CD2 3.56Å; A30-L55 HydrophobicContact CB-CG 3.6Å |
| 31 | A | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.6 | -39.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | V5 V7 M27 Y35 A286 A288 L293 | V5-A31 WeakPolarHBondContact CG1-O 3.33Å; V7-A31 HydrophobicContact CG2-CB 4.08Å; M27-A31 WeakPolarHBondContact O-CB 3.33Å; M27-A31 PolarHBondContact O-N 3.47Å; A31-Y35 WeakPolarHBondContact O-CB 3.29Å; A31-Y35 PolarHBondContact O-N 2.69Å; A31-A286 HydrophobicContact CB-CB 3.76Å; A31-A288 HydrophobicContact CB-CB 4.37Å; A31-L293 HydrophobicContact CB-CD1 3.65Å |
| 32 | T | 98 | Very high | 96.9 | Very high | 39 Ų | 39 | 47 Ų | 47 | 24% | 0.239 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.2 | -44.4 | 177.5 | -57.3 | 0 | 0 | 0 | 0 | 111.6 | V28 R29 A30 Y35 G36 L307 P308 | V28-T32 VanDerWaalsContact O-CB 3.28Å; V28-T32 WeakPolarHBondContact O-CB 3.45Å; V28-T32 PolarHBondContact O-N 3.48Å; V28-T32 PolarHBondContact O-OG1 2.92Å; R29-T32 PolarHBondContact O-N 3.25Å; A30-T32 VanDerWaalsContact C-N 3.34Å; A30-T32 PolarHBondContact O-N 2.93Å; T32-Y35 PolarHBondContact O-N 2.91Å; T32-G36 PolarHBondContact O-N 3.16Å; T32-L307 HydrophobicContact CG2-CD2 4.46Å; T32-P308 HydrophobicContact CG2-CG 4.16Å |
| 33 | V | 98.5 | Very high | 97.2 | Very high | 60 Ų | 60 | 43.8 Ų | 43.8 | 36% | 0.364 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.7 | -52.7 | 176.5 | 168.9 | 0 | 0 | 0 | 0 | 110.7 | R29 A30 Y35 G36 I37 G50 A54 | R29-V33 WeakPolarHBondContact O-CG2 3.38Å; R29-V33 PolarHBondContact O-N 3.07Å; A30-V33 PolarHBondContact O-N 2.68Å; V33-Y35 VanDerWaalsContact C-N 3.33Å; V33-Y35 PolarHBondContact O-N 2.87Å; V33-G36 PolarHBondContact O-N 2.82Å; V33-I37 HydrophobicContact CG1-CD1 4.36Å; V33-I37 WeakPolarHBondContact O-CG1 3.33Å; V33-I37 PolarHBondContact O-N 2.79Å; V33-G50 WeakPolarHBondContact CG1-O 3.26Å; V33-A54 HydrophobicContact CG2-CB 4.42Å |
| 34 | G | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.9 | -43 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A30 I37 L38 A47 | A30-G34 PolarHBondContact O-N 3.37Å; G34-I37 PolarHBondContact O-N 2.98Å; G34-L38 WeakPolarHBondContact O-CG 3.41Å; G34-L38 PolarHBondContact O-N 3.25Å; G34-A47 WeakPolarHBondContact CA-O 3.35Å; G34-A47 WeakPolarHBondContact O-CB 3.44Å |
| 35 | Y | 98.2 | Very high | 97.7 | Very high | 15 Ų | 15 | 42.3 Ų | 42.3 | 6% | 0.059 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -70.6 | -35.4 | 179.9 | -166.1 | -111.3 | 0 | 0 | 0 | 113 | P3 V5 A31 T32 V33 I37 L38 R39 A288 D290 G291 L307 | P3-Y35 HydrophobicContact CG-CE2 4.27Å; P3-Y35 WeakPolarHBondContact O-CE2 3.4Å; V5-Y35 HydrophobicContact CG1-CD2 4.39Å; A31-Y35 WeakPolarHBondContact O-CB 3.29Å; A31-Y35 PolarHBondContact O-N 2.69Å; T32-Y35 PolarHBondContact O-N 2.91Å; V33-Y35 VanDerWaalsContact C-N 3.33Å; V33-Y35 PolarHBondContact O-N 2.87Å; Y35-I37 VanDerWaalsContact C-N 3.33Å; Y35-I37 PolarHBondContact O-N 2.75Å; Y35-L38 PolarHBondContact O-N 3.08Å; Y35-R39 HydrophobicContact CD1-CG 3.82Å; Y35-R39 VanDerWaalsContact CE1-CD 3.44Å; Y35-R39 HydrophobicContact CE1-CG 3.59Å; Y35-R39 WeakPolarHBondContact O-CG 3.42Å; Y35-R39 PolarHBondContact O-N 2.98Å; Y35-A288 HydrophobicContact CD1-CB 4.31Å; Y35-A288 HydrophobicContact CD2-CB 3.85Å; Y35-A288 VanDerWaalsContact CD2-O 3.28Å; Y35-A288 WeakPolarHBondContact CD2-O 3.14Å; Y35-A288 WeakPolarHBondContact CE2-O 3.33Å; Y35-A288 HydrophobicContact CG-CB 3.68Å; Y35-D290 PolarHBondContact OH-N 3.07Å; Y35-D290 VanDerWaalsContact OH-N 3.09Å; Y35-G291 PolarHBondContact OH-N 3.35Å; Y35-L307 HydrophobicContact CD1-CD1 3.2Å; Y35-L307 HydrophobicContact CD1-CD2 4.29Å; Y35-L307 HydrophobicContact CD1-CG 4.37Å; Y35-L307 HydrophobicContact CE1-CD1 3.24Å; Y35-L307 HydrophobicContact CG-CD1 4.07Å |
| 36 | G | 97.8 | Very high | 97.9 | Very high | 24 Ų | 24 | 40.3 Ų | 40.3 | 25% | 0.247 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56.2 | -47.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | T32 V33 L38 R39 E40 | T32-G36 PolarHBondContact O-N 3.16Å; V33-G36 PolarHBondContact O-N 2.82Å; G36-L38 VanDerWaalsContact C-N 3.33Å; G36-L38 PolarHBondContact O-N 2.83Å; G36-R39 PolarHBondContact O-N 2.75Å; G36-E40 WeakPolarHBondContact O-CG 3.44Å; G36-E40 PolarHBondContact O-N 2.88Å |
| 37 | I | 98.5 | Very high | 98 | Very high | 43 Ų | 43 | 40.3 Ų | 40.3 | 22% | 0.221 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -57.3 | -45.6 | 175.8 | -66.1 | 167.1 | 0 | 0 | 0 | 111.1 | V33 G34 Y35 E40 G41 G42 D46 A47 | V33-I37 HydrophobicContact CG1-CD1 4.36Å; V33-I37 WeakPolarHBondContact O-CG1 3.33Å; V33-I37 PolarHBondContact O-N 2.79Å; G34-I37 PolarHBondContact O-N 2.98Å; Y35-I37 VanDerWaalsContact C-N 3.33Å; Y35-I37 PolarHBondContact O-N 2.75Å; I37-E40 PolarHBondContact O-N 2.78Å; I37-G41 PolarHBondContact O-N 3.38Å; I37-G42 WeakPolarHBondContact O-CA 3.42Å; I37-G42 PolarHBondContact O-N 2.76Å; I37-D46 WeakPolarHBondContact CD1-O 3.3Å; I37-D46 HydrophobicContact CG2-CB 3.66Å; I37-A47 HydrophobicContact CB-CB 4.42Å; I37-A47 HydrophobicContact CG2-CB 4.27Å |
| 38 | L | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65 | -41.1 | 178.5 | -63.9 | 175.1 | 0 | 0 | 0 | 112.6 | P3 I4 V5 G34 Y35 G36 E40 G41 A47 A173 D175 | P3-L38 HydrophobicContact CB-CB 3.7Å; P3-L38 HydrophobicContact CB-CD1 3.96Å; P3-L38 HydrophobicContact CB-CG 4.32Å; P3-L38 HydrophobicContact CG-CB 4.33Å; I4-L38 WeakPolarHBondContact O-CD1 3.5Å; V5-L38 HydrophobicContact CB-CD1 4.15Å; G34-L38 WeakPolarHBondContact O-CG 3.41Å; G34-L38 PolarHBondContact O-N 3.25Å; Y35-L38 PolarHBondContact O-N 3.08Å; G36-L38 VanDerWaalsContact C-N 3.33Å; G36-L38 PolarHBondContact O-N 2.83Å; L38-E40 VanDerWaalsContact C-N 3.26Å; L38-E40 PolarHBondContact O-N 3.22Å; L38-G41 PolarHBondContact O-N 3.02Å; L38-A47 HydrophobicContact CD1-CB 4.1Å; L38-A47 HydrophobicContact CD2-CB 3.46Å; L38-A47 VanDerWaalsContact CD2-CB 3.46Å; L38-A47 HydrophobicContact CG-CB 3.51Å; L38-A173 HydrophobicContact CD1-CB 4.25Å; L38-D175 HydrophobicContact CD2-CB 3.9Å |
| 39 | R | 96.2 | Very high | 98.2 | Very high | 176 Ų | 176 | 40 Ų | 40 | 66% | 0.664 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -63.3 | -33.5 | 177.9 | -76.2 | -173 | 74.3 | 172.8 | 0.1 | 112.5 | Y35 G36 G41 | Y35-R39 HydrophobicContact CD1-CG 3.82Å; Y35-R39 VanDerWaalsContact CE1-CD 3.44Å; Y35-R39 HydrophobicContact CE1-CG 3.59Å; Y35-R39 WeakPolarHBondContact O-CG 3.42Å; Y35-R39 PolarHBondContact O-N 2.98Å; G36-R39 PolarHBondContact O-N 2.75Å; R39-G41 PolarHBondContact O-N 3.29Å |
| 40 | E | 96.5 | Very high | 98.3 | Very high | 173 Ų | 173 | 34.8 Ų | 34.8 | 81% | 0.808 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | 0.4 | 176.6 | -68.8 | 175.5 | -176.7 | 0 | 0 | 112.9 | G36 I37 L38 | G36-E40 WeakPolarHBondContact O-CG 3.44Å; G36-E40 PolarHBondContact O-N 2.88Å; I37-E40 PolarHBondContact O-N 2.78Å; L38-E40 VanDerWaalsContact C-N 3.26Å; L38-E40 PolarHBondContact O-N 3.22Å |
| 41 | G | 97 | Very high | 98.3 | Very high | 45 Ų | 45 | 34.8 Ų | 34.8 | 46% | 0.464 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.4 | 12.8 | 179 | 0 | 0 | 0 | 0 | 0 | 114.4 | I37 L38 R39 | I37-G41 PolarHBondContact O-N 3.38Å; L38-G41 PolarHBondContact O-N 3.02Å; R39-G41 PolarHBondContact O-N 3.29Å |
| 42 | G | 98.3 | Very high | 98.3 | Very high | 22 Ų | 22 | 34.8 Ų | 34.8 | 23% | 0.227 | 20% | 0.196 | C | C | . | . | trans | -63.3 | 163.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | I37 | I37-G42 WeakPolarHBondContact O-CA 3.42Å; I37-G42 PolarHBondContact O-N 2.76Å | ||
| 43 | S | 98.6 | Very high | 98.3 | Very high | 31 Ų | 31 | 33.8 Ų | 33.8 | 22% | 0.217 | 19% | 0.19 | C | C | . | . | trans | -78.8 | 163.6 | -179.4 | 70.3 | 0 | 0 | 0 | 0 | 112.4 | V45 D46 A47 | S43-V45 PolarHBondContact O-N 2.61Å; S43-D46 WeakPolarHBondContact CB-OD2 3.36Å; S43-D46 PolarHBondContact N-OD2 3.01Å; S43-D46 VanDerWaalsContact N-OD2 3.13Å; S43-D46 PolarHBondContact O-N 3.13Å; S43-D46 PolarHBondContact OG-N 2.78Å; S43-D46 VanDerWaalsContact OG-N 3.1Å; S43-D46 PolarHBondContact OG-OD2 3.46Å; S43-A47 PolarHBondContact O-N 3.01Å | ||
| 44 | A | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.008 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59 | -37.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | A47 V48 A173 D175 N179 A181 | A44-A47 PolarHBondContact O-N 3.41Å; A44-V48 WeakPolarHBondContact O-CG2 3.33Å; A44-V48 PolarHBondContact O-N 3.07Å; A44-A173 HydrophobicContact CB-CB 4.23Å; A44-D175 HydrophobicContact CB-CB 4.09Å; A44-D175 PolarHBondContact N-OD2 2.87Å; A44-N179 WeakPolarHBondContact CB-O 3.38Å; A44-A181 HydrophobicContact CB-CB 3.71Å |
| 45 | V | 98.9 | Very high | 98.3 | Very high | 5 Ų | 5 | 31.6 Ų | 31.6 | 3% | 0.03 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.8 | -47.4 | 176.1 | 176.6 | 0 | 0 | 0 | 0 | 111.3 | S43 A47 V48 E49 I81 D83 M109 A181 | S43-V45 PolarHBondContact O-N 2.61Å; V45-A47 VanDerWaalsContact C-N 3.3Å; V45-A47 PolarHBondContact O-N 3.31Å; V45-V48 VanDerWaalsContact O-CG2 3.3Å; V45-V48 WeakPolarHBondContact O-CG2 3.36Å; V45-V48 PolarHBondContact O-N 2.91Å; V45-E49 WeakPolarHBondContact O-CB 3.32Å; V45-E49 PolarHBondContact O-N 3.26Å; V45-I81 HydrophobicContact CG1-CD1 3.89Å; V45-D83 HydrophobicContact CG2-CB 3.61Å; V45-M109 HydrophobicContact CG1-CE 3.96Å; V45-A181 HydrophobicContact CG2-CB 3.96Å |
| 46 | D | 98.9 | Very high | 98.4 | Very high | 49 Ų | 49 | 30.9 Ų | 30.9 | 26% | 0.262 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -62.5 | -39.9 | 178.1 | -58.5 | -45.5 | 0 | 0 | 0 | 111.3 | I37 S43 G50 R106 | I37-D46 WeakPolarHBondContact CD1-O 3.3Å; I37-D46 HydrophobicContact CG2-CB 3.66Å; S43-D46 WeakPolarHBondContact CB-OD2 3.36Å; S43-D46 PolarHBondContact N-OD2 3.01Å; S43-D46 VanDerWaalsContact N-OD2 3.13Å; S43-D46 PolarHBondContact O-N 3.13Å; S43-D46 PolarHBondContact OG-N 2.78Å; S43-D46 VanDerWaalsContact OG-N 3.1Å; S43-D46 PolarHBondContact OG-OD2 3.46Å; D46-G50 PolarHBondContact O-N 3.1Å; D46-R106 IonicContact OD1-CZ 3.67Å; D46-R106 VanDerWaalsContact OD1-CZ 3.22Å; D46-R106 IonicContact OD1-NH1 2.91Å; D46-R106 PolarHBondContact OD1-NH1 3.03Å; D46-R106 IonicContact OD1-NH2 2.94Å; D46-R106 PolarHBondContact OD1-NH2 3.41Å |
| 47 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.6 | -44.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | G34 I37 L38 S43 A44 V45 A51 A173 | G34-A47 WeakPolarHBondContact CA-O 3.35Å; G34-A47 WeakPolarHBondContact O-CB 3.44Å; I37-A47 HydrophobicContact CB-CB 4.42Å; I37-A47 HydrophobicContact CG2-CB 4.27Å; L38-A47 HydrophobicContact CD1-CB 4.1Å; L38-A47 HydrophobicContact CD2-CB 3.46Å; L38-A47 VanDerWaalsContact CD2-CB 3.46Å; L38-A47 HydrophobicContact CG-CB 3.51Å; S43-A47 PolarHBondContact O-N 3.01Å; A44-A47 PolarHBondContact O-N 3.41Å; V45-A47 VanDerWaalsContact C-N 3.3Å; V45-A47 PolarHBondContact O-N 3.31Å; A47-A51 VanDerWaalsContact O-CB 3.32Å; A47-A51 WeakPolarHBondContact O-CB 3.47Å; A47-A51 PolarHBondContact O-N 3.42Å; A47-A173 HydrophobicContact CB-CB 4.16Å |
| 48 | V | 99 | Very high | 98.3 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -70.7 | -37.2 | 178.2 | -62.3 | 0 | 0 | 0 | 0 | 111.9 | A44 V45 V52 I81 A171 A173 A181 A183 | A44-V48 WeakPolarHBondContact O-CG2 3.33Å; A44-V48 PolarHBondContact O-N 3.07Å; V45-V48 VanDerWaalsContact O-CG2 3.3Å; V45-V48 WeakPolarHBondContact O-CG2 3.36Å; V45-V48 PolarHBondContact O-N 2.91Å; V48-V52 WeakPolarHBondContact O-CB 3.36Å; V48-V52 WeakPolarHBondContact O-CG2 3.26Å; V48-V52 PolarHBondContact O-N 2.99Å; V48-I81 HydrophobicContact CG2-CD1 4.14Å; V48-I81 HydrophobicContact CG2-CG1 4.27Å; V48-A171 HydrophobicContact CB-CB 3.98Å; V48-A171 HydrophobicContact CG1-CB 4.06Å; V48-A173 HydrophobicContact CG1-CB 3.57Å; V48-A181 HydrophobicContact CG1-CB 4.33Å; V48-A181 HydrophobicContact CG2-CB 3.88Å; V48-A183 HydrophobicContact CB-CB 3.68Å; V48-A183 HydrophobicContact CG2-CB 3.71Å |
| 49 | E | 98.9 | Very high | 98.1 | Very high | 32 Ų | 32 | 35.9 Ų | 35.9 | 15% | 0.15 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.8 | -52.7 | 172.3 | -177.9 | -176 | -128.9 | 0 | 0 | 110.5 | V45 A51 V52 V53 I81 I102 K103 R106 | V45-E49 WeakPolarHBondContact O-CB 3.32Å; V45-E49 PolarHBondContact O-N 3.26Å; E49-A51 VanDerWaalsContact C-N 3.32Å; E49-A51 PolarHBondContact O-N 3.37Å; E49-V52 PolarHBondContact O-N 2.9Å; E49-V53 HydrophobicContact CG-CG2 4.15Å; E49-V53 WeakPolarHBondContact O-CB 3.47Å; E49-V53 WeakPolarHBondContact O-CG2 3.49Å; E49-V53 PolarHBondContact O-N 3.44Å; E49-I81 HydrophobicContact CB-CD1 4.17Å; E49-I102 HydrophobicContact CG-CG2 4.26Å; E49-K103 HydrophobicContact CG-CG 4.45Å; E49-R106 VanDerWaalsContact CD-CD 3.4Å; E49-R106 WeakPolarHBondContact OE1-CD 3.46Å; E49-R106 IonicContact OE2-CZ 2.78Å; E49-R106 IonicContact OE2-NE 2.91Å; E49-R106 IonicContact OE2-NH1 2.83Å; E49-R106 PolarHBondContact OE2-NH1 3.01Å |
| 50 | G | 98.8 | Very high | 98 | Very high | 15 Ų | 15 | 28.6 Ų | 28.6 | 16% | 0.155 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.1 | -41.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | V33 D46 A54 | V33-G50 WeakPolarHBondContact CG1-O 3.26Å; D46-G50 PolarHBondContact O-N 3.1Å; G50-A54 PolarHBondContact O-N 2.78Å; G50-A54 VanDerWaalsContact O-N 3.13Å |
| 51 | A | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64 | -45 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V7 A47 E49 A54 L55 A171 | V7-A51 HydrophobicContact CG1-CB 3.87Å; A47-A51 VanDerWaalsContact O-CB 3.32Å; A47-A51 WeakPolarHBondContact O-CB 3.47Å; A47-A51 PolarHBondContact O-N 3.42Å; E49-A51 VanDerWaalsContact C-N 3.32Å; E49-A51 PolarHBondContact O-N 3.37Å; A51-A54 PolarHBondContact O-N 2.78Å; A51-L55 WeakPolarHBondContact O-CG 3.2Å; A51-L55 PolarHBondContact O-N 2.98Å; A51-A171 HydrophobicContact CB-CB 3.9Å |
| 52 | V | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -70.4 | -37.7 | 179.2 | 170.9 | 0 | 0 | 0 | 0 | 111.7 | V48 E49 A54 L55 E56 I102 V169 A171 A183 | V48-V52 WeakPolarHBondContact O-CB 3.36Å; V48-V52 WeakPolarHBondContact O-CG2 3.26Å; V48-V52 PolarHBondContact O-N 2.99Å; E49-V52 PolarHBondContact O-N 2.9Å; V52-A54 VanDerWaalsContact C-N 3.29Å; V52-A54 PolarHBondContact O-N 3.39Å; V52-L55 CarbonylContact O-C 3.54Å; V52-L55 WeakPolarHBondContact O-CA 3.48Å; V52-L55 WeakPolarHBondContact O-CB 3.35Å; V52-L55 PolarHBondContact O-N 2.89Å; V52-E56 HydrophobicContact CG1-CG 4.11Å; V52-E56 WeakPolarHBondContact O-CG 3.44Å; V52-E56 PolarHBondContact O-N 3.02Å; V52-I102 HydrophobicContact CB-CB 4.45Å; V52-I102 HydrophobicContact CB-CG1 4.21Å; V52-I102 HydrophobicContact CB-CG2 4.29Å; V52-I102 HydrophobicContact CG1-CB 3.77Å; V52-I102 HydrophobicContact CG1-CD1 4.42Å; V52-I102 HydrophobicContact CG1-CG1 3.91Å; V52-I102 HydrophobicContact CG1-CG2 3.88Å; V52-V169 HydrophobicContact CG1-CG2 4.17Å; V52-A171 HydrophobicContact CG2-CB 3.94Å; V52-A183 HydrophobicContact CB-CB 4.28Å; V52-A183 HydrophobicContact CG2-CB 3.62Å |
| 53 | V | 98.9 | Very high | 97.9 | Very high | 18 Ų | 18 | 17.3 Ų | 17.3 | 11% | 0.109 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -57.3 | -44.4 | 173.3 | 168.5 | 0 | 0 | 0 | 0 | 110.7 | E49 L55 E56 D57 N100 I102 K103 | E49-V53 HydrophobicContact CG-CG2 4.15Å; E49-V53 WeakPolarHBondContact O-CB 3.47Å; E49-V53 WeakPolarHBondContact O-CG2 3.49Å; E49-V53 PolarHBondContact O-N 3.44Å; V53-L55 PolarHBondContact O-N 3.03Å; V53-L55 VanDerWaalsContact O-N 3.16Å; V53-E56 PolarHBondContact O-N 2.86Å; V53-D57 WeakPolarHBondContact O-CB 3.38Å; V53-D57 PolarHBondContact O-N 3.08Å; V53-N100 HydrophobicContact CG2-CB 4.44Å; V53-I102 HydrophobicContact CG2-CG2 3.6Å; V53-K103 HydrophobicContact CG2-CD 4.35Å; V53-K103 HydrophobicContact CG2-CG 3.99Å |
| 54 | A | 98.7 | Very high | 97.8 | Very high | 14 Ų | 14 | 15.9 Ų | 15.9 | 12% | 0.116 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -60.6 | -25.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | A30 V33 G50 A51 V52 | A30-A54 HydrophobicContact CB-CB 4.27Å; V33-A54 HydrophobicContact CG2-CB 4.42Å; G50-A54 PolarHBondContact O-N 2.78Å; G50-A54 VanDerWaalsContact O-N 3.13Å; A51-A54 PolarHBondContact O-N 2.78Å; V52-A54 VanDerWaalsContact C-N 3.29Å; V52-A54 PolarHBondContact O-N 3.39Å |
| 55 | L | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -88.1 | -33.7 | 175.8 | -61.9 | 174.9 | 0 | 0 | 0 | 113 | M27 A30 A51 V52 V53 D57 D58 F61 V169 | M27-L55 HydrophobicContact CE-CD1 3.8Å; M27-L55 HydrophobicContact CE-CD2 3.18Å; M27-L55 HydrophobicContact CE-CG 4.14Å; A30-L55 HydrophobicContact CB-CD1 4.01Å; A30-L55 HydrophobicContact CB-CD2 3.56Å; A30-L55 HydrophobicContact CB-CG 3.6Å; A51-L55 WeakPolarHBondContact O-CG 3.2Å; A51-L55 PolarHBondContact O-N 2.98Å; V52-L55 CarbonylContact O-C 3.54Å; V52-L55 WeakPolarHBondContact O-CA 3.48Å; V52-L55 WeakPolarHBondContact O-CB 3.35Å; V52-L55 PolarHBondContact O-N 2.89Å; V53-L55 PolarHBondContact O-N 3.03Å; V53-L55 VanDerWaalsContact O-N 3.16Å; L55-D57 VanDerWaalsContact C-N 3.27Å; L55-D58 PolarHBondContact O-N 2.94Å; L55-F61 HydrophobicContact CD2-CD2 3.84Å; L55-F61 HydrophobicContact CD2-CE1 4.37Å; L55-F61 HydrophobicContact CD2-CE2 3.61Å; L55-F61 HydrophobicContact CD2-CG 4.31Å; L55-F61 HydrophobicContact CD2-CZ 3.9Å; L55-V169 HydrophobicContact CB-CB 4.06Å; L55-V169 HydrophobicContact CB-CG1 4.1Å; L55-V169 HydrophobicContact CB-CG2 3.98Å; L55-V169 HydrophobicContact CD1-CB 3.83Å; L55-V169 HydrophobicContact CD1-CG1 4.35Å; L55-V169 HydrophobicContact CD1-CG2 4.36Å |
| 56 | E | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -66.8 | -29.5 | 172.2 | -73.3 | 178 | 156 | 0 | 0 | 112.3 | V52 V53 D58 A63 G64 C65 N100 P101 I102 S185 | V52-E56 HydrophobicContact CG1-CG 4.11Å; V52-E56 WeakPolarHBondContact O-CG 3.44Å; V52-E56 PolarHBondContact O-N 3.02Å; V53-E56 PolarHBondContact O-N 2.86Å; E56-D58 VanDerWaalsContact C-N 3.34Å; E56-A63 HydrophobicContact CG-CB 3.95Å; E56-G64 CarbonylContact O-C 3.55Å; E56-G64 WeakPolarHBondContact O-CA 3.26Å; E56-C65 PolarHBondContact O-N 3.14Å; E56-N100 WeakPolarHBondContact OE2-CA 3.47Å; E56-N100 WeakPolarHBondContact OE2-CB 3.01Å; E56-N100 PolarHBondContact OE2-ND2 2.84Å; E56-P101 VanDerWaalsContact OE1-CD 3.31Å; E56-P101 WeakPolarHBondContact OE1-CD 3.3Å; E56-I102 PolarHBondContact OE1-N 3.02Å; E56-I102 VanDerWaalsContact OE2-CG2 3.28Å; E56-I102 WeakPolarHBondContact OE2-CG2 3.4Å; E56-S185 VanDerWaalsContact OE1-CB 3.23Å; E56-S185 WeakPolarHBondContact OE1-CB 3.25Å; E56-S185 PolarHBondContact OE1-OG 3.37Å |
| 57 | D | 98.2 | Very high | 97.4 | Very high | 91 Ų | 91 | 15 Ų | 15 | 49% | 0.487 | 9% | 0.09 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -9.9 | 177.2 | -68.3 | -18.5 | 0 | 0 | 0 | 112.7 | V53 L55 N100 | V53-D57 WeakPolarHBondContact O-CB 3.38Å; V53-D57 PolarHBondContact O-N 3.08Å; L55-D57 VanDerWaalsContact C-N 3.27Å; D57-N100 PolarHBondContact OD1-ND2 3.35Å |
| 58 | D | 96.6 | Very high | 97.2 | Very high | 20 Ų | 20 | 15 Ų | 15 | 11% | 0.107 | 9% | 0.09 | C | C | . | . | trans | -100.5 | 111.2 | -177.5 | -174.5 | -24.7 | 0 | 0 | 0 | 111.6 | G26 L55 E56 E60 F61 | G26-D58 WeakPolarHBondContact CA-OD2 3.41Å; L55-D58 PolarHBondContact O-N 2.94Å; E56-D58 VanDerWaalsContact C-N 3.34Å; D58-E60 PolarHBondContact O-N 3.46Å; D58-E60 WeakPolarHBondContact OD1-CB 3.24Å; D58-E60 PolarHBondContact OD1-N 3.01Å; D58-F61 HydrophobicContact CB-CD2 3.79Å; D58-F61 HydrophobicContact CB-CE2 4.05Å; D58-F61 PolarHBondContact O-N 2.96Å | ||
| 59 | P | 95.4 | Very high | 97.1 | Very high | 62 Ų | 62 | 15.2 Ų | 15.2 | 40% | 0.403 | 9% | 0.091 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -7.4 | -175.1 | 29.2 | -36.9 | 0 | 0 | 0 | 114.1 | F61 C65 T141 R143 | P59-F61 VanDerWaalsContact C-N 3.32Å; P59-C65 WeakPolarHBondContact CA-O 3.13Å; P59-T141 HydrophobicContact CB-CG2 3.86Å; P59-R143 VanDerWaalsContact O-CZ 3.24Å; P59-R143 PolarHBondContact O-NH1 3.45Å; P59-R143 PolarHBondContact O-NH2 3.37Å |
| 60 | E | 93.9 | Very high | 97 | Very high | 23 Ų | 23 | 13.7 Ų | 13.7 | 11% | 0.107 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -28 | 172.6 | -75.2 | -62.4 | 160.1 | 0 | 0 | 113.2 | R19 R22 V23 D58 R143 L166 | R19-E60 IonicContact CZ-OE2 3.83Å; R19-E60 VanDerWaalsContact CZ-OE2 3.3Å; R19-E60 IonicContact NE-OE2 3.63Å; R19-E60 PolarHBondContact NE-OE2 2.95Å; R19-E60 PolarHBondContact NH2-O 2.87Å; R19-E60 IonicContact NH2-OE2 2.89Å; R19-E60 PolarHBondContact NH2-OE2 3.06Å; R22-E60 HydrophobicContact CB-CG 3.86Å; R22-E60 IonicContact CZ-OE1 2.96Å; R22-E60 IonicContact NE-OE1 2.78Å; R22-E60 PolarHBondContact NE-OE1 2.79Å; R22-E60 IonicContact NH2-OE1 3.61Å; R22-E60 PolarHBondContact NH2-OE1 2.88Å; V23-E60 HydrophobicContact CG2-CB 4.41Å; D58-E60 PolarHBondContact O-N 3.46Å; D58-E60 WeakPolarHBondContact OD1-CB 3.24Å; D58-E60 PolarHBondContact OD1-N 3.01Å; E60-R143 PolarHBondContact O-NH1 3.39Å; E60-R143 PolarHBondContact O-NH2 3.4Å; E60-R143 VanDerWaalsContact O-NH2 3.08Å; E60-R143 IonicContact OE2-NH1 2.71Å; E60-R143 PolarHBondContact OE2-NH1 3.2Å; E60-L166 WeakPolarHBondContact O-CD1 3.09Å |
| 61 | F | 95.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -94.3 | 169.2 | -176.9 | -57.7 | -79.4 | 0 | 0 | 0 | 112.8 | V23 M27 L55 D58 P59 G66 L166 V169 | V23-F61 HydrophobicContact CG1-CE1 4.09Å; V23-F61 HydrophobicContact CG1-CZ 4.32Å; M27-F61 HydrophobicContact CE-CD1 4.18Å; M27-F61 HydrophobicContact CE-CE1 3.37Å; M27-F61 HydrophobicContact CE-CE2 4.28Å; M27-F61 HydrophobicContact CE-CZ 3.43Å; M27-F61 VanDerWaalsContact CE-CZ 3.43Å; M27-F61 HydrophobicContact CG-CE1 4.49Å; M27-F61 HydrophobicContact CG-CZ 4.35Å; M27-F61 HydrophobicContact SD-CE1 4.39Å; L55-F61 HydrophobicContact CD2-CD2 3.84Å; L55-F61 HydrophobicContact CD2-CE1 4.37Å; L55-F61 HydrophobicContact CD2-CE2 3.61Å; L55-F61 HydrophobicContact CD2-CG 4.31Å; L55-F61 HydrophobicContact CD2-CZ 3.9Å; D58-F61 HydrophobicContact CB-CD2 3.79Å; D58-F61 HydrophobicContact CB-CE2 4.05Å; D58-F61 PolarHBondContact O-N 2.96Å; P59-F61 VanDerWaalsContact C-N 3.32Å; F61-G66 CarbonylContact O-C 3.56Å; F61-G66 WeakPolarHBondContact O-CA 3.35Å; F61-L166 HydrophobicContact CD1-CD2 4.28Å; F61-L166 HydrophobicContact CE1-CD2 4.41Å; F61-V169 HydrophobicContact CB-CG1 3.69Å; F61-V169 HydrophobicContact CD1-CG1 4.23Å; F61-V169 HydrophobicContact CG-CG1 4.14Å |
| 62 | N | 95.8 | Very high | 96.8 | Very high | 3 Ų | 3 | 20.1 Ų | 20.1 | 2% | 0.016 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -103.5 | 60.5 | -179.7 | 177.5 | 27.4 | 0 | 0 | 0 | 110.5 | V68 L166 T186 G187 G188 | N62-V68 WeakPolarHBondContact OD1-CG1 3.33Å; N62-V68 WeakPolarHBondContact OD1-CG2 3.49Å; N62-V68 PolarHBondContact OD1-N 2.79Å; N62-L166 WeakPolarHBondContact CB-O 3.14Å; N62-L166 PolarHBondContact ND2-O 2.91Å; N62-T186 CarbonylContact O-C 3.09Å; N62-T186 WeakPolarHBondContact O-CA 3.48Å; N62-G187 PolarHBondContact O-N 2.95Å; N62-G187 WeakPolarHBondContact OD1-CA 3.47Å; N62-G188 PolarHBondContact ND2-O 2.98Å |
| 63 | A | 96.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -155 | 155.7 | 174 | 0 | 0 | 0 | 0 | 0 | 108.1 | E56 C65 S67 V169 | E56-A63 HydrophobicContact CG-CB 3.95Å; A63-C65 CarbonylContact O-C 3.41Å; A63-C65 PolarHBondContact O-N 2.98Å; A63-C65 VanDerWaalsContact O-O 3.13Å; A63-S67 VanDerWaalsContact C-OG 3.25Å; A63-S67 WeakPolarHBondContact CA-OG 3.2Å; A63-V169 HydrophobicContact CB-CB 4.44Å; A63-V169 HydrophobicContact CB-CG1 4.1Å; A63-V169 HydrophobicContact CB-CG2 3.51Å |
| 64 | G | 97.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | S | Bend | trans | 47.2 | -126.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | E56 G66 S67 M77 | E56-G64 CarbonylContact O-C 3.55Å; E56-G64 WeakPolarHBondContact O-CA 3.26Å; G64-G66 PolarHBondContact O-N 3.29Å; G64-S67 PolarHBondContact N-OG 3.09Å; G64-S67 WeakPolarHBondContact O-CB 3.4Å; G64-S67 PolarHBondContact O-N 3.44Å; G64-S67 PolarHBondContact O-OG 3.32Å; G64-M77 VanDerWaalsContact CA-SD 3.53Å |
| 65 | C | 96.4 | Very high | 96.7 | Very high | 36 Ų | 36 | 24 Ų | 24 | 24% | 0.243 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | 117.6 | 169.1 | -176 | 0 | 0 | 0 | 0 | 109.7 | E56 P59 A63 L139 | E56-C65 PolarHBondContact O-N 3.14Å; P59-C65 WeakPolarHBondContact CA-O 3.13Å; A63-C65 CarbonylContact O-C 3.41Å; A63-C65 PolarHBondContact O-N 2.98Å; A63-C65 VanDerWaalsContact O-O 3.13Å; C65-L139 HydrophobicContact CB-CD2 4.33Å |
| 66 | G | 95 | Very high | 96.6 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 107.9 | -0.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | F61 G64 L139 N144 | F61-G66 CarbonylContact O-C 3.56Å; F61-G66 WeakPolarHBondContact O-CA 3.35Å; G64-G66 PolarHBondContact O-N 3.29Å; G66-L139 PolarHBondContact N-O 2.68Å; G66-L139 VanDerWaalsContact N-O 3.08Å; G66-N144 PolarHBondContact O-ND2 2.94Å |
| 67 | S | 96.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -57 | 141.3 | 170.1 | -67.3 | 0 | 0 | 0 | 0 | 112.8 | A63 G64 M77 N144 | A63-S67 VanDerWaalsContact C-OG 3.25Å; A63-S67 WeakPolarHBondContact CA-OG 3.2Å; G64-S67 PolarHBondContact N-OG 3.09Å; G64-S67 WeakPolarHBondContact O-CB 3.4Å; G64-S67 PolarHBondContact O-N 3.44Å; G64-S67 PolarHBondContact O-OG 3.32Å; S67-M77 WeakPolarHBondContact OG-CG 3.3Å; S67-M77 PolarHBondContact OG-SD 2.93Å; S67-N144 VanDerWaalsContact C-ND2 3.33Å; S67-N144 PolarHBondContact O-ND2 3.31Å | ||
| 68 | V | 95.4 | Very high | 96.7 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.006 | 12% | 0.117 | C | C | . | . | trans | -66.5 | 163.4 | 171.2 | -65.1 | 0 | 0 | 0 | 0 | 111.6 | N62 G187 G188 I189 V190 | N62-V68 WeakPolarHBondContact OD1-CG1 3.33Å; N62-V68 WeakPolarHBondContact OD1-CG2 3.49Å; N62-V68 PolarHBondContact OD1-N 2.79Å; V68-G187 VanDerWaalsContact CG2-O 3.26Å; V68-G187 WeakPolarHBondContact CG2-O 3.41Å; V68-G188 WeakPolarHBondContact CG2-O 3.43Å; V68-I189 VanDerWaalsContact CG2-C 3.46Å; V68-V190 HydrophobicContact CB-CB 4.28Å; V68-V190 HydrophobicContact CG1-CB 4.35Å | ||
| 69 | L | 96.8 | Very high | 96.8 | Very high | 4 Ų | 4 | 19 Ų | 19 | 2% | 0.021 | 11% | 0.112 | C | C | . | . | trans | -105.8 | 143.4 | -173.2 | -51 | -179.5 | 0 | 0 | 0 | 111.6 | E74 V75 V140 N144 K145 L148 N191 | L69-E74 WeakPolarHBondContact CA-O 3.18Å; L69-V75 HydrophobicContact CD2-CG2 3.61Å; L69-V140 HydrophobicContact CD1-CG1 4.06Å; L69-V140 HydrophobicContact CD2-CB 4.46Å; L69-V140 HydrophobicContact CD2-CG1 4.07Å; L69-V140 HydrophobicContact CD2-CG2 3.82Å; L69-N144 HydrophobicContact CG-CB 4.27Å; L69-K145 HydrophobicContact CD1-CG 4.25Å; L69-L148 HydrophobicContact CB-CB 4.42Å; L69-L148 HydrophobicContact CB-CD2 3.9Å; L69-L148 HydrophobicContact CD1-CB 4.34Å; L69-L148 HydrophobicContact CD1-CD2 4.06Å; L69-N191 PolarHBondContact O-N 2.92Å | ||
| 70 | N | 96.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.093 | C | C | . | . | trans | -74.8 | -176.1 | 171.5 | 71.3 | 17.4 | 0 | 0 | 0 | 111.9 | N72 G73 E74 E76 K192 | N70-N72 PolarHBondContact O-N 2.96Å; N70-N72 VanDerWaalsContact O-N 3.17Å; N70-N72 WeakPolarHBondContact OD1-CA 3.41Å; N70-N72 WeakPolarHBondContact OD1-CB 3.47Å; N70-N72 PolarHBondContact OD1-N 3.13Å; N70-G73 PolarHBondContact O-N 2.82Å; N70-G73 PolarHBondContact OD1-N 2.98Å; N70-E74 PolarHBondContact N-O 2.91Å; N70-E74 PolarHBondContact OD1-N 3.35Å; N70-E74 PolarHBondContact OD1-O 3.29Å; N70-E76 PolarHBondContact ND2-OE2 3.35Å; N70-E76 VanDerWaalsContact ND2-OE2 3.16Å; N70-K192 CarbonylContact C-O 3.53Å; N70-K192 WeakPolarHBondContact CA-O 3.25Å; N70-K192 HydrophobicContact CB-CG 3.87Å; N70-K192 WeakPolarHBondContact CB-O 3.26Å | ||
| 71 | T | 96.1 | Very high | 97.2 | Very high | 46 Ų | 46 | 14.9 Ų | 14.9 | 28% | 0.282 | 9% | 0.088 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -27.5 | 179.5 | 45.3 | 0 | 0 | 0 | 0 | 114.1 | K152 K192 | T71-K152 WeakPolarHBondContact O-CE 3.39Å; T71-K152 PolarHBondContact O-NZ 3.05Å; T71-K192 WeakPolarHBondContact CG2-O 3.3Å; T71-K192 PolarHBondContact N-O 3.07Å |
| 72 | N | 96.9 | Very high | 97.3 | Very high | 104 Ų | 104 | 15.1 Ų | 15.1 | 56% | 0.556 | 9% | 0.089 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86 | -8.3 | 179.1 | -68.4 | 0 | 0 | 0 | 0 | 113.1 | N70 E74 V194 | N70-N72 PolarHBondContact O-N 2.96Å; N70-N72 VanDerWaalsContact O-N 3.17Å; N70-N72 WeakPolarHBondContact OD1-CA 3.41Å; N70-N72 WeakPolarHBondContact OD1-CB 3.47Å; N70-N72 PolarHBondContact OD1-N 3.13Å; N72-E74 HydrophobicContact CB-CG 4.13Å; N72-E74 WeakPolarHBondContact CB-OE2 3.46Å; N72-V194 HydrophobicContact CB-CG2 4.43Å |
| 73 | G | 96.9 | Very high | 97.5 | Very high | 28 Ų | 28 | 16.3 Ų | 16.3 | 29% | 0.289 | 10% | 0.095 | S | C | . | . | S | Bend | trans | 86.2 | 12.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | N70 | N70-G73 PolarHBondContact O-N 2.82Å; N70-G73 PolarHBondContact OD1-N 2.98Å |
| 74 | E | 97.9 | Very high | 97.6 | Very high | 80 Ų | 80 | 16.4 Ų | 16.4 | 37% | 0.374 | 10% | 0.096 | S | C | . | . | trans | -98.2 | 155.5 | -178.3 | -61.4 | 159.5 | 162.4 | 0 | 0 | 110.8 | L69 N70 N72 | L69-E74 WeakPolarHBondContact CA-O 3.18Å; N70-E74 PolarHBondContact N-O 2.91Å; N70-E74 PolarHBondContact OD1-N 3.35Å; N70-E74 PolarHBondContact OD1-O 3.29Å; N72-E74 HydrophobicContact CB-CG 4.13Å; N72-E74 WeakPolarHBondContact CB-OE2 3.46Å | ||
| 75 | V | 98.1 | Very high | 97.6 | Very high | 7 Ų | 7 | 22.8 Ų | 22.8 | 4% | 0.042 | 12% | 0.124 | C | C | . | . | trans | -89.8 | 123.9 | 172.5 | 169.9 | 0 | 0 | 0 | 0 | 108.8 | L69 M77 Q96 L139 V140 | L69-V75 HydrophobicContact CD2-CG2 3.61Å; V75-M77 HydrophobicContact CG1-CE 3.87Å; V75-M77 HydrophobicContact CG1-CG 3.63Å; V75-M77 HydrophobicContact CG1-SD 3.75Å; V75-Q96 WeakPolarHBondContact O-CG 3.2Å; V75-L139 HydrophobicContact CB-CB 4.38Å; V75-L139 HydrophobicContact CB-CD1 4.48Å; V75-L139 HydrophobicContact CG1-CB 4.32Å; V75-L139 HydrophobicContact CG1-CD1 4.07Å; V75-L139 HydrophobicContact CG2-CB 4.03Å; V75-V140 HydrophobicContact CG2-CG2 3.91Å | ||
| 76 | E | 98.2 | Very high | 97.7 | Very high | 4 Ų | 4 | 25.8 Ų | 25.8 | 2% | 0.019 | 14% | 0.138 | C | C | . | . | trans | -122.8 | 130 | 166.6 | -73.2 | 173.2 | 135 | 0 | 0 | 107.7 | N70 V95 Q96 K192 V194 G195 | N70-E76 PolarHBondContact ND2-OE2 3.35Å; N70-E76 VanDerWaalsContact ND2-OE2 3.16Å; E76-V95 WeakPolarHBondContact CA-O 3.35Å; E76-Q96 HydrophobicContact CG-CG 4.08Å; E76-K192 PolarHBondContact O-NZ 3.18Å; E76-V194 WeakPolarHBondContact OE1-CG1 3.31Å; E76-G195 PolarHBondContact OE1-N 3.02Å; E76-G195 PolarHBondContact OE2-N 3.09Å | ||
| 77 | M | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 151.7 | -175.5 | -64.7 | 167.7 | -66.4 | 0 | 0 | 111.4 | G64 S67 V75 S93 A94 V95 I98 P101 L139 T186 | G64-M77 VanDerWaalsContact CA-SD 3.53Å; S67-M77 WeakPolarHBondContact OG-CG 3.3Å; S67-M77 PolarHBondContact OG-SD 2.93Å; V75-M77 HydrophobicContact CG1-CE 3.87Å; V75-M77 HydrophobicContact CG1-CG 3.63Å; V75-M77 HydrophobicContact CG1-SD 3.75Å; M77-S93 CarbonylContact O-C 3.57Å; M77-A94 PolarHBondContact O-N 3.42Å; M77-A94 VanDerWaalsContact O-N 3.08Å; M77-V95 HydrophobicContact CB-CG2 4.15Å; M77-V95 PolarHBondContact N-O 2.64Å; M77-V95 WeakPolarHBondContact O-CG2 3.26Å; M77-V95 PolarHBondContact O-N 3.21Å; M77-I98 VanDerWaalsContact CE-O 3.31Å; M77-I98 WeakPolarHBondContact CE-O 3.35Å; M77-P101 HydrophobicContact CB-CB 4.27Å; M77-P101 HydrophobicContact CB-CG 3.59Å; M77-P101 HydrophobicContact CE-CG 3.65Å; M77-P101 HydrophobicContact CG-CG 4.1Å; M77-P101 HydrophobicContact SD-CG 3.47Å; M77-P101 WeakPolarHBondContact SD-CG 3.34Å; M77-L139 HydrophobicContact CE-CD1 3.64Å; M77-L139 HydrophobicContact SD-CD1 4.42Å; M77-T186 VanDerWaalsContact CA-O 3.26Å; M77-T186 WeakPolarHBondContact CA-O 3.36Å |
| 78 | D | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 142.3 | 173.1 | -53.3 | -33 | 0 | 0 | 0 | 108.9 | V92 S93 A94 S185 T186 G198 P201 | D78-V92 CarbonylContact C-O 3.21Å; D78-V92 WeakPolarHBondContact CA-O 3.48Å; D78-S93 WeakPolarHBondContact OD1-CA 3.48Å; D78-S93 VanDerWaalsContact OD1-CB 3.26Å; D78-S93 WeakPolarHBondContact OD1-CB 3.26Å; D78-A94 PolarHBondContact OD1-N 2.9Å; D78-S185 CarbonylContact O-C 3.53Å; D78-S185 WeakPolarHBondContact O-CA 3.45Å; D78-T186 HydrophobicContact CB-CG2 3.95Å; D78-T186 PolarHBondContact N-O 2.9Å; D78-T186 PolarHBondContact O-N 3Å; D78-G198 PolarHBondContact OD2-N 3.32Å; D78-P201 HydrophobicContact CB-CB 4.13Å; D78-P201 HydrophobicContact CB-CG 3.75Å |
| 79 | A | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 152.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | A91 V92 P101 I102 A105 T184 | A79-A91 CarbonylContact O-C 3.56Å; A79-A91 VanDerWaalsContact O-CA 3.24Å; A79-A91 WeakPolarHBondContact O-CA 3.46Å; A79-V92 HydrophobicContact CB-CG2 4.23Å; A79-V92 PolarHBondContact N-O 3.33Å; A79-V92 PolarHBondContact O-N 2.78Å; A79-P101 HydrophobicContact CB-CB 3.77Å; A79-I102 HydrophobicContact CB-CD1 4.19Å; A79-A105 HydrophobicContact CB-CB 4.26Å; A79-T184 CarbonylContact C-O 3.57Å; A79-T184 WeakPolarHBondContact CA-O 3.45Å; A79-T184 WeakPolarHBondContact CB-O 3.36Å |
| 80 | S | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 153.2 | 167.5 | 61.7 | 0 | 0 | 0 | 0 | 112.2 | G90 I102 Y182 A183 T184 S200 | S80-G90 CarbonylContact C-O 3.55Å; S80-G90 VanDerWaalsContact CA-O 3.28Å; S80-G90 WeakPolarHBondContact CA-O 3.19Å; S80-I102 VanDerWaalsContact O-CD1 3.26Å; S80-I102 WeakPolarHBondContact O-CD1 3.45Å; S80-Y182 WeakPolarHBondContact CB-OH 3.16Å; S80-Y182 WeakPolarHBondContact OG-CE2 2.91Å; S80-Y182 PolarHBondContact OG-OH 2.77Å; S80-A183 CarbonylContact O-C 3.37Å; S80-A183 WeakPolarHBondContact O-CA 3.22Å; S80-T184 PolarHBondContact N-O 3.02Å; S80-T184 PolarHBondContact O-N 3.06Å; S80-S200 WeakPolarHBondContact CB-O 3.35Å; S80-S200 PolarHBondContact OG-O 3.06Å |
| 81 | I | 99 | Very high | 98.3 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 146.7 | 176.1 | -168.8 | 167.9 | 0 | 0 | 0 | 109 | V45 V48 E49 A89 G90 I102 A105 R106 M109 Y182 A183 | V45-I81 HydrophobicContact CG1-CD1 3.89Å; V48-I81 HydrophobicContact CG2-CD1 4.14Å; V48-I81 HydrophobicContact CG2-CG1 4.27Å; E49-I81 HydrophobicContact CB-CD1 4.17Å; I81-A89 WeakPolarHBondContact O-CA 3.4Å; I81-G90 PolarHBondContact N-O 2.91Å; I81-G90 PolarHBondContact O-N 3.09Å; I81-I102 HydrophobicContact CB-CD1 4.03Å; I81-A105 HydrophobicContact CG2-CB 4.16Å; I81-R106 HydrophobicContact CD1-CB 4.42Å; I81-R106 HydrophobicContact CG2-CB 4.19Å; I81-M109 HydrophobicContact CG2-SD 4.26Å; I81-Y182 WeakPolarHBondContact CA-O 3.45Å; I81-Y182 WeakPolarHBondContact CG1-O 3.45Å; I81-A183 HydrophobicContact CD1-CB 4.42Å; I81-A183 HydrophobicContact CG1-CB 4.25Å |
| 82 | M | 98.9 | Very high | 98.5 | Very high | 4 Ų | 4 | 29 Ų | 29 | 2% | 0.02 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 135.3 | 178.5 | -173.4 | 173.3 | -176.6 | 0 | 0 | 111.5 | L87 S88 A89 A181 Y182 Y208 A209 | M82-L87 HydrophobicContact CE-CB 3.61Å; M82-L87 HydrophobicContact CE-CD2 3.68Å; M82-L87 HydrophobicContact CE-CG 4.19Å; M82-S88 CarbonylContact C-O 3.5Å; M82-S88 WeakPolarHBondContact CA-O 3.38Å; M82-S88 WeakPolarHBondContact CG-O 3.36Å; M82-A89 HydrophobicContact CB-CB 4.14Å; M82-A89 HydrophobicContact CG-CB 3.95Å; M82-A89 HydrophobicContact SD-CB 4.47Å; M82-A181 VanDerWaalsContact O-CA 3.31Å; M82-A181 WeakPolarHBondContact O-CA 3.14Å; M82-A181 WeakPolarHBondContact O-CB 3.29Å; M82-Y182 HydrophobicContact CB-CD1 3.62Å; M82-Y182 HydrophobicContact CB-CE1 3.26Å; M82-Y182 HydrophobicContact CG-CE1 4.24Å; M82-Y182 PolarHBondContact N-O 3.27Å; M82-Y182 VanDerWaalsContact N-O 3.12Å; M82-Y182 PolarHBondContact O-N 2.88Å; M82-Y182 HydrophobicContact SD-CE1 4.07Å; M82-Y208 HydrophobicContact CE-CD2 4.48Å; M82-Y208 HydrophobicContact CE-CE1 4.16Å; M82-Y208 HydrophobicContact CE-CE2 4.03Å; M82-Y208 HydrophobicContact SD-CD2 4.05Å; M82-Y208 HydrophobicContact SD-CE2 4.15Å; M82-Y208 HydrophobicContact SD-CG 4.26Å; M82-A209 HydrophobicContact CB-CB 4.33Å; M82-A209 VanDerWaalsContact CE-O 3.31Å; M82-A209 WeakPolarHBondContact CE-O 3.16Å; M82-A209 HydrophobicContact CG-CB 4.28Å |
| 83 | D | 98.9 | Very high | 98.6 | Very high | 28 Ų | 28 | 24.2 Ų | 24.2 | 15% | 0.15 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 119.2 | 168.9 | -168.4 | -16.7 | 0 | 0 | 0 | 109.5 | V45 K85 L87 S88 | V45-D83 HydrophobicContact CG2-CB 3.61Å; D83-K85 PolarHBondContact O-N 2.93Å; D83-K85 WeakPolarHBondContact OD1-CB 3.45Å; D83-K85 PolarHBondContact OD1-N 3.46Å; D83-L87 WeakPolarHBondContact O-CA 3.21Å; D83-L87 PolarHBondContact O-N 3.21Å; D83-S88 PolarHBondContact N-O 3.45Å |
| 84 | G | 98.7 | Very high | 98.6 | Very high | 2 Ų | 2 | 23.1 Ų | 23.1 | 2% | 0.021 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -12.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | V180 N211 | G84-V180 WeakPolarHBondContact CA-O 3.26Å; G84-V180 PolarHBondContact N-O 3.31Å; G84-N211 VanDerWaalsContact C-OD1 3.24Å; G84-N211 WeakPolarHBondContact O-CB 3.49Å; G84-N211 PolarHBondContact O-N 3.44Å; G84-N211 PolarHBondContact O-OD1 3.08Å |
| 85 | K | 98.6 | Very high | 98.6 | Very high | 134 Ų | 134 | 19.4 Ų | 19.4 | 58% | 0.583 | 10% | 0.102 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -43.3 | -179 | -178 | -171.8 | 167.9 | -156.3 | 0 | 113.4 | D83 N179 N211 | D83-K85 PolarHBondContact O-N 2.93Å; D83-K85 WeakPolarHBondContact OD1-CB 3.45Å; D83-K85 PolarHBondContact OD1-N 3.46Å; K85-N179 HydrophobicContact CB-CB 4.48Å; K85-N211 WeakPolarHBondContact CA-ND2 3.34Å; K85-N211 PolarHBondContact N-OD1 2.79Å |
| 86 | D | 98.3 | Very high | 98.6 | Very high | 100 Ų | 100 | 22.1 Ų | 22.1 | 54% | 0.535 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -132.7 | 8.5 | -176.7 | 62.4 | 7.3 | 0 | 0 | 0 | 113 | S88 | D86-S88 PolarHBondContact O-N 3.48Å; D86-S88 WeakPolarHBondContact OD1-CB 3.42Å; D86-S88 PolarHBondContact OD1-N 3.31Å; D86-S88 PolarHBondContact OD1-OG 2.54Å |
| 87 | L | 98.5 | Very high | 98.6 | Very high | 75 Ų | 75 | 23.3 Ų | 23.3 | 39% | 0.393 | 12% | 0.123 | S | C | . | . | trans | 60.3 | 17.9 | -177.3 | -47.9 | -179.7 | 0 | 0 | 0 | 113.2 | M82 D83 A89 A209 D210 | M82-L87 HydrophobicContact CE-CB 3.61Å; M82-L87 HydrophobicContact CE-CD2 3.68Å; M82-L87 HydrophobicContact CE-CG 4.19Å; D83-L87 WeakPolarHBondContact O-CA 3.21Å; D83-L87 PolarHBondContact O-N 3.21Å; L87-A89 PolarHBondContact O-N 2.83Å; L87-A209 WeakPolarHBondContact CD2-O 3.3Å; L87-D210 HydrophobicContact CD2-CB 4.03Å | ||
| 88 | S | 98.7 | Very high | 98.6 | Very high | 36 Ų | 36 | 23.8 Ų | 23.8 | 25% | 0.252 | 13% | 0.125 | S | C | . | . | trans | -60.7 | 135 | 169.8 | 59.6 | 0 | 0 | 0 | 0 | 109.3 | M82 D83 D86 M109 | M82-S88 CarbonylContact C-O 3.5Å; M82-S88 WeakPolarHBondContact CA-O 3.38Å; M82-S88 WeakPolarHBondContact CG-O 3.36Å; D83-S88 PolarHBondContact N-O 3.45Å; D86-S88 PolarHBondContact O-N 3.48Å; D86-S88 WeakPolarHBondContact OD1-CB 3.42Å; D86-S88 PolarHBondContact OD1-N 3.31Å; D86-S88 PolarHBondContact OD1-OG 2.54Å; S88-M109 VanDerWaalsContact O-SD 3.42Å | ||
| 89 | A | 98.8 | Very high | 98.6 | Very high | 7 Ų | 7 | 25.4 Ų | 25.4 | 6% | 0.058 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 151 | -174.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | I81 M82 L87 L203 | I81-A89 WeakPolarHBondContact O-CA 3.4Å; M82-A89 HydrophobicContact CB-CB 4.14Å; M82-A89 HydrophobicContact CG-CB 3.95Å; M82-A89 HydrophobicContact SD-CB 4.47Å; L87-A89 PolarHBondContact O-N 2.83Å; A89-L203 HydrophobicContact CB-CD1 3.48Å; A89-L203 VanDerWaalsContact CB-CD1 3.48Å; A89-L203 HydrophobicContact CB-CD2 3.96Å; A89-L203 HydrophobicContact CB-CG 4.38Å |
| 90 | G | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 142.4 | 174 | 0 | 0 | 0 | 0 | 0 | 110.6 | S80 I81 A105 C115 | S80-G90 CarbonylContact C-O 3.55Å; S80-G90 VanDerWaalsContact CA-O 3.28Å; S80-G90 WeakPolarHBondContact CA-O 3.19Å; I81-G90 PolarHBondContact N-O 2.91Å; I81-G90 PolarHBondContact O-N 3.09Å; G90-A105 CarbonylContact C-O 3.49Å; G90-A105 VanDerWaalsContact CA-O 3.3Å; G90-A105 WeakPolarHBondContact CA-O 3.47Å; G90-C115 CarbonylContact C-O 3.59Å; G90-C115 WeakPolarHBondContact CA-O 3.31Å |
| 91 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 147.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | A79 C115 F116 L117 P201 | A79-A91 CarbonylContact O-C 3.56Å; A79-A91 VanDerWaalsContact O-CA 3.24Å; A79-A91 WeakPolarHBondContact O-CA 3.46Å; A91-C115 WeakPolarHBondContact CB-O 3.45Å; A91-C115 PolarHBondContact N-O 2.71Å; A91-F116 HydrophobicContact CB-CB 4.44Å; A91-F116 HydrophobicContact CB-CD1 3.74Å; A91-F116 HydrophobicContact CB-CE1 4.13Å; A91-F116 HydrophobicContact CB-CG 4.04Å; A91-F116 WeakPolarHBondContact O-CA 3.36Å; A91-L117 PolarHBondContact O-N 3.24Å; A91-P201 HydrophobicContact CB-CB 4.23Å; A91-P201 WeakPolarHBondContact CB-O 3.46Å |
| 92 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 146.9 | 170.2 | -65.8 | 0 | 0 | 0 | 0 | 111.2 | D78 A79 V95 P101 L104 A105 V108 L117 A122 P201 | D78-V92 CarbonylContact C-O 3.21Å; D78-V92 WeakPolarHBondContact CA-O 3.48Å; A79-V92 HydrophobicContact CB-CG2 4.23Å; A79-V92 PolarHBondContact N-O 3.33Å; A79-V92 PolarHBondContact O-N 2.78Å; V92-V95 HydrophobicContact CB-CG1 3.78Å; V92-V95 HydrophobicContact CG1-CG1 4.47Å; V92-V95 HydrophobicContact CG2-CG1 4.12Å; V92-V95 HydrophobicContact CG2-CG2 4.02Å; V92-P101 HydrophobicContact CG2-CB 4.49Å; V92-L104 HydrophobicContact CB-CD2 4.42Å; V92-L104 HydrophobicContact CG1-CB 4.46Å; V92-L104 HydrophobicContact CG1-CD2 3.8Å; V92-L104 HydrophobicContact CG1-CG 3.79Å; V92-L104 HydrophobicContact CG2-CD2 4.44Å; V92-A105 HydrophobicContact CG2-CB 4.37Å; V92-V108 HydrophobicContact CG1-CG2 3.89Å; V92-L117 VanDerWaalsContact CA-O 3.24Å; V92-L117 WeakPolarHBondContact CA-O 3.45Å; V92-A122 HydrophobicContact CG1-CB 4.26Å; V92-P201 WeakPolarHBondContact O-CB 3.4Å |
| 93 | S | 98.7 | Very high | 98.6 | Very high | 3 Ų | 3 | 30.2 Ų | 30.2 | 2% | 0.021 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 156.3 | 172.5 | 68.3 | 0 | 0 | 0 | 0 | 113.4 | M77 D78 V95 F116 L117 T118 D119 | M77-S93 CarbonylContact O-C 3.57Å; D78-S93 WeakPolarHBondContact OD1-CA 3.48Å; D78-S93 VanDerWaalsContact OD1-CB 3.26Å; D78-S93 WeakPolarHBondContact OD1-CB 3.26Å; S93-V95 PolarHBondContact O-N 2.98Å; S93-V95 VanDerWaalsContact O-N 3.1Å; S93-F116 WeakPolarHBondContact OG-CE2 3.49Å; S93-F116 WeakPolarHBondContact OG-CZ 3.23Å; S93-L117 PolarHBondContact N-O 3.36Å; S93-T118 WeakPolarHBondContact O-CA 3.32Å; S93-T118 PolarHBondContact O-OG1 3.19Å; S93-T118 WeakPolarHBondContact OG-CB 3.08Å; S93-T118 PolarHBondContact OG-OG1 3.43Å; S93-D119 PolarHBondContact O-N 2.95Å |
| 94 | A | 98 | Very high | 98.6 | Very high | 5 Ų | 5 | 28.9 Ų | 28.9 | 4% | 0.041 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 50.9 | 30.4 | -179 | 0 | 0 | 0 | 0 | 0 | 113.2 | M77 D78 D119 | M77-A94 PolarHBondContact O-N 3.42Å; M77-A94 VanDerWaalsContact O-N 3.08Å; D78-A94 PolarHBondContact OD1-N 2.9Å; A94-D119 HydrophobicContact CB-CB 4.45Å |
| 95 | V | 98.5 | Very high | 98.6 | Very high | 3 Ų | 3 | 28.8 Ų | 28.8 | 2% | 0.018 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 144.5 | 178.6 | -63.8 | 0 | 0 | 0 | 0 | 110.5 | E76 M77 V92 S93 P101 L104 A122 | E76-V95 WeakPolarHBondContact CA-O 3.35Å; M77-V95 HydrophobicContact CB-CG2 4.15Å; M77-V95 PolarHBondContact N-O 2.64Å; M77-V95 WeakPolarHBondContact O-CG2 3.26Å; M77-V95 PolarHBondContact O-N 3.21Å; V92-V95 HydrophobicContact CB-CG1 3.78Å; V92-V95 HydrophobicContact CG1-CG1 4.47Å; V92-V95 HydrophobicContact CG2-CG1 4.12Å; V92-V95 HydrophobicContact CG2-CG2 4.02Å; S93-V95 PolarHBondContact O-N 2.98Å; S93-V95 VanDerWaalsContact O-N 3.1Å; V95-P101 HydrophobicContact CG2-CB 4.22Å; V95-P101 HydrophobicContact CG2-CG 4.37Å; V95-L104 HydrophobicContact CG1-CD2 4.12Å; V95-A122 HydrophobicContact CG1-CB 3.51Å |
| 96 | Q | 98.2 | Very high | 98.6 | Very high | 64 Ų | 64 | 24.3 Ų | 24.3 | 30% | 0.299 | 13% | 0.132 | S | C | . | . | trans | -126.8 | 165 | -179.9 | -51.4 | -166.9 | -6.8 | 0 | 0 | 110 | V75 E76 I98 | V75-Q96 WeakPolarHBondContact O-CG 3.2Å; E76-Q96 HydrophobicContact CG-CG 4.08Å; Q96-I98 PolarHBondContact O-N 3.2Å; Q96-I98 VanDerWaalsContact O-N 3.11Å | ||
| 97 | C | 97.9 | Very high | 98.6 | Very high | 29 Ų | 29 | 21.4 Ų | 21.4 | 20% | 0.196 | 12% | 0.116 | C | C | . | . | S | Bend | trans | 57.7 | 27.7 | 169.4 | -58.7 | 0 | 0 | 0 | 0 | 115.8 | E133 I134 | C97-E133 HydrophobicContact CB-CG 3.78Å; C97-E133 CarbonylContact O-C 3.59Å; C97-E133 WeakPolarHBondContact O-CA 3.33Å; C97-I134 WeakPolarHBondContact CA-O 3.13Å; C97-I134 WeakPolarHBondContact CB-O 3.05Å; C97-I134 WeakPolarHBondContact O-CG1 3.28Å; C97-I134 PolarHBondContact O-N 2.98Å |
| 98 | I | 98.1 | Very high | 98.6 | Very high | 9 Ų | 9 | 17.9 Ų | 17.9 | 5% | 0.046 | 10% | 0.097 | C | C | . | . | B | Isolated β-bridge | trans | -127.8 | 133.8 | 177.9 | -65.3 | 173 | 0 | 0 | 0 | 109 | M77 Q96 L104 A126 V131 | M77-I98 VanDerWaalsContact CE-O 3.31Å; M77-I98 WeakPolarHBondContact CE-O 3.35Å; Q96-I98 PolarHBondContact O-N 3.2Å; Q96-I98 VanDerWaalsContact O-N 3.11Å; I98-L104 HydrophobicContact CD1-CD2 3.64Å; I98-A126 HydrophobicContact CD1-CB 3.59Å; I98-V131 HydrophobicContact CD1-CG1 4.5Å; I98-V131 HydrophobicContact CG1-CG1 4.46Å; I98-V131 HydrophobicContact CG2-CG1 3.89Å |
| 99 | A | 98.1 | Very high | 98.6 | Very high | 34 Ų | 34 | 17.3 Ų | 17.3 | 28% | 0.281 | 9% | 0.091 | S | C | . | . | S | Bend | trans | -65 | -46.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | P101 I134 | A99-P101 WeakPolarHBondContact O-CD 3.38Å; A99-I134 HydrophobicContact CB-CD1 3.94Å |
| 100 | N | 98.7 | Very high | 98.6 | Very high | 17 Ų | 17 | 21.2 Ų | 21.2 | 9% | 0.091 | 11% | 0.108 | C | C | . | . | trans | -125.2 | 88.3 | -173.5 | -57.3 | 126.5 | 0 | 0 | 0 | 111.6 | V53 E56 D57 I102 K103 | V53-N100 HydrophobicContact CG2-CB 4.44Å; E56-N100 WeakPolarHBondContact OE2-CA 3.47Å; E56-N100 WeakPolarHBondContact OE2-CB 3.01Å; E56-N100 PolarHBondContact OE2-ND2 2.84Å; D57-N100 PolarHBondContact OD1-ND2 3.35Å; N100-I102 PolarHBondContact O-N 2.81Å; N100-K103 HydrophobicContact CB-CB 4.29Å; N100-K103 HydrophobicContact CB-CD 3.89Å; N100-K103 HydrophobicContact CB-CG 3.93Å; N100-K103 PolarHBondContact O-N 3.28Å; N100-K103 VanDerWaalsContact O-N 3.17Å; N100-K103 PolarHBondContact OD1-NZ 2.94Å | ||
| 101 | P | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -50.9 | -35 | 174.4 | -29.3 | 34.5 | 0 | 0 | 0 | 114.3 | E56 M77 A79 V92 V95 A99 K103 L104 A105 | E56-P101 VanDerWaalsContact OE1-CD 3.31Å; E56-P101 WeakPolarHBondContact OE1-CD 3.3Å; M77-P101 HydrophobicContact CB-CB 4.27Å; M77-P101 HydrophobicContact CB-CG 3.59Å; M77-P101 HydrophobicContact CE-CG 3.65Å; M77-P101 HydrophobicContact CG-CG 4.1Å; M77-P101 HydrophobicContact SD-CG 3.47Å; M77-P101 WeakPolarHBondContact SD-CG 3.34Å; A79-P101 HydrophobicContact CB-CB 3.77Å; V92-P101 HydrophobicContact CG2-CB 4.49Å; V95-P101 HydrophobicContact CG2-CB 4.22Å; V95-P101 HydrophobicContact CG2-CG 4.37Å; A99-P101 WeakPolarHBondContact O-CD 3.38Å; P101-K103 VanDerWaalsContact C-N 3.31Å; P101-K103 PolarHBondContact O-N 3.28Å; P101-L104 WeakPolarHBondContact O-CB 3.28Å; P101-L104 PolarHBondContact O-N 3.18Å; P101-L104 VanDerWaalsContact O-N 3.14Å; P101-A105 PolarHBondContact O-N 3.4Å |
| 102 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.5 | -35.5 | -179.5 | -161.9 | 62.6 | 0 | 0 | 0 | 113.2 | E49 V52 V53 E56 A79 S80 I81 N100 L104 A105 R106 A183 | E49-I102 HydrophobicContact CG-CG2 4.26Å; V52-I102 HydrophobicContact CB-CB 4.45Å; V52-I102 HydrophobicContact CB-CG1 4.21Å; V52-I102 HydrophobicContact CB-CG2 4.29Å; V52-I102 HydrophobicContact CG1-CB 3.77Å; V52-I102 HydrophobicContact CG1-CD1 4.42Å; V52-I102 HydrophobicContact CG1-CG1 3.91Å; V52-I102 HydrophobicContact CG1-CG2 3.88Å; V53-I102 HydrophobicContact CG2-CG2 3.6Å; E56-I102 PolarHBondContact OE1-N 3.02Å; E56-I102 VanDerWaalsContact OE2-CG2 3.28Å; E56-I102 WeakPolarHBondContact OE2-CG2 3.4Å; A79-I102 HydrophobicContact CB-CD1 4.19Å; S80-I102 VanDerWaalsContact O-CD1 3.26Å; S80-I102 WeakPolarHBondContact O-CD1 3.45Å; I81-I102 HydrophobicContact CB-CD1 4.03Å; N100-I102 PolarHBondContact O-N 2.81Å; I102-L104 VanDerWaalsContact C-N 3.31Å; I102-L104 PolarHBondContact O-N 2.9Å; I102-A105 HydrophobicContact CD1-CB 4.49Å; I102-A105 WeakPolarHBondContact O-CB 3.36Å; I102-A105 PolarHBondContact O-N 2.89Å; I102-R106 PolarHBondContact O-N 3.38Å; I102-A183 HydrophobicContact CD1-CB 3.67Å; I102-A183 HydrophobicContact CG1-CB 3.94Å |
| 103 | K | 98.8 | Very high | 98.5 | Very high | 89 Ų | 89 | 34.5 Ų | 34.5 | 39% | 0.387 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -66.1 | -36.8 | 175.7 | -67.8 | -176.8 | 180 | 153.2 | 0 | 111.2 | E49 V53 N100 P101 R106 L107 | E49-K103 HydrophobicContact CG-CG 4.45Å; V53-K103 HydrophobicContact CG2-CD 4.35Å; V53-K103 HydrophobicContact CG2-CG 3.99Å; N100-K103 HydrophobicContact CB-CB 4.29Å; N100-K103 HydrophobicContact CB-CD 3.89Å; N100-K103 HydrophobicContact CB-CG 3.93Å; N100-K103 PolarHBondContact O-N 3.28Å; N100-K103 VanDerWaalsContact O-N 3.17Å; N100-K103 PolarHBondContact OD1-NZ 2.94Å; P101-K103 VanDerWaalsContact C-N 3.31Å; P101-K103 PolarHBondContact O-N 3.28Å; K103-R106 PolarHBondContact O-N 2.92Å; K103-L107 WeakPolarHBondContact O-CG 3.38Å; K103-L107 PolarHBondContact O-N 2.98Å |
| 104 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68 | -41.5 | 174.5 | -175.3 | 64.7 | 0 | 0 | 0 | 111.2 | V92 V95 I98 P101 I102 R106 L107 V108 A122 F125 A126 V131 | V92-L104 HydrophobicContact CB-CD2 4.42Å; V92-L104 HydrophobicContact CG1-CB 4.46Å; V92-L104 HydrophobicContact CG1-CD2 3.8Å; V92-L104 HydrophobicContact CG1-CG 3.79Å; V92-L104 HydrophobicContact CG2-CD2 4.44Å; V95-L104 HydrophobicContact CG1-CD2 4.12Å; I98-L104 HydrophobicContact CD1-CD2 3.64Å; P101-L104 WeakPolarHBondContact O-CB 3.28Å; P101-L104 PolarHBondContact O-N 3.18Å; P101-L104 VanDerWaalsContact O-N 3.14Å; I102-L104 VanDerWaalsContact C-N 3.31Å; I102-L104 PolarHBondContact O-N 2.9Å; L104-R106 VanDerWaalsContact C-N 3.29Å; L104-R106 PolarHBondContact O-N 3.16Å; L104-L107 HydrophobicContact CD1-CD1 4.43Å; L104-L107 WeakPolarHBondContact O-CB 3.25Å; L104-L107 PolarHBondContact O-N 2.91Å; L104-L107 VanDerWaalsContact O-N 3.14Å; L104-V108 WeakPolarHBondContact O-CG2 3.23Å; L104-V108 PolarHBondContact O-N 2.98Å; L104-A122 HydrophobicContact CD2-CB 4.41Å; L104-F125 HydrophobicContact CD1-CD1 3.81Å; L104-F125 HydrophobicContact CD1-CE1 4.1Å; L104-A126 HydrophobicContact CD1-CB 3.6Å; L104-A126 HydrophobicContact CD2-CB 4Å; L104-A126 HydrophobicContact CG-CB 4.46Å; L104-V131 HydrophobicContact CD1-CG2 4.28Å |
| 105 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.7 | -42.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | A79 I81 G90 V92 P101 I102 L107 V108 M109 | A79-A105 HydrophobicContact CB-CB 4.26Å; I81-A105 HydrophobicContact CG2-CB 4.16Å; G90-A105 CarbonylContact C-O 3.49Å; G90-A105 VanDerWaalsContact CA-O 3.3Å; G90-A105 WeakPolarHBondContact CA-O 3.47Å; V92-A105 HydrophobicContact CG2-CB 4.37Å; P101-A105 PolarHBondContact O-N 3.4Å; I102-A105 HydrophobicContact CD1-CB 4.49Å; I102-A105 WeakPolarHBondContact O-CB 3.36Å; I102-A105 PolarHBondContact O-N 2.89Å; A105-L107 PolarHBondContact O-N 2.84Å; A105-V108 WeakPolarHBondContact O-CB 3.29Å; A105-V108 PolarHBondContact O-N 2.94Å; A105-M109 PolarHBondContact O-N 3.33Å; A105-M109 VanDerWaalsContact O-N 3.14Å |
| 106 | R | 98.9 | Very high | 98.6 | Very high | 40 Ų | 40 | 46.4 Ų | 46.4 | 15% | 0.151 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.8 | -41.8 | 173.6 | -173.4 | -179.3 | 178.5 | 159.2 | 6.6 | 112.7 | D46 E49 I81 I102 K103 L104 V108 M109 E110 | D46-R106 IonicContact OD1-CZ 3.67Å; D46-R106 VanDerWaalsContact OD1-CZ 3.22Å; D46-R106 IonicContact OD1-NH1 2.91Å; D46-R106 PolarHBondContact OD1-NH1 3.03Å; D46-R106 IonicContact OD1-NH2 2.94Å; D46-R106 PolarHBondContact OD1-NH2 3.41Å; E49-R106 VanDerWaalsContact CD-CD 3.4Å; E49-R106 WeakPolarHBondContact OE1-CD 3.46Å; E49-R106 IonicContact OE2-CZ 2.78Å; E49-R106 IonicContact OE2-NE 2.91Å; E49-R106 IonicContact OE2-NH1 2.83Å; E49-R106 PolarHBondContact OE2-NH1 3.01Å; I81-R106 HydrophobicContact CD1-CB 4.42Å; I81-R106 HydrophobicContact CG2-CB 4.19Å; I102-R106 PolarHBondContact O-N 3.38Å; K103-R106 PolarHBondContact O-N 2.92Å; L104-R106 VanDerWaalsContact C-N 3.29Å; L104-R106 PolarHBondContact O-N 3.16Å; R106-V108 VanDerWaalsContact C-N 3.29Å; R106-V108 PolarHBondContact O-N 3.4Å; R106-M109 HydrophobicContact CG-CE 4.24Å; R106-M109 WeakPolarHBondContact O-CB 3.32Å; R106-M109 PolarHBondContact O-N 3.13Å; R106-E110 HydrophobicContact CG-CG 4.38Å; R106-E110 IonicContact CZ-OE1 2.54Å; R106-E110 IonicContact NE-OE1 3.68Å; R106-E110 PolarHBondContact NE-OE1 2.83Å; R106-E110 IonicContact NH2-OE1 3.3Å; R106-E110 PolarHBondContact NH2-OE1 3.07Å; R106-E110 PolarHBondContact O-N 2.87Å |
| 107 | L | 98.8 | Very high | 98.6 | Very high | 39 Ų | 39 | 45 Ų | 45 | 20% | 0.204 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.7 | -37.5 | 175 | -74 | 168.9 | 0 | 0 | 0 | 112.3 | K103 L104 A105 M109 E110 K111 F125 M129 V131 | K103-L107 WeakPolarHBondContact O-CG 3.38Å; K103-L107 PolarHBondContact O-N 2.98Å; L104-L107 HydrophobicContact CD1-CD1 4.43Å; L104-L107 WeakPolarHBondContact O-CB 3.25Å; L104-L107 PolarHBondContact O-N 2.91Å; L104-L107 VanDerWaalsContact O-N 3.14Å; A105-L107 PolarHBondContact O-N 2.84Å; L107-M109 VanDerWaalsContact C-N 3.35Å; L107-E110 PolarHBondContact O-N 3.3Å; L107-K111 HydrophobicContact CD2-CG 4.09Å; L107-K111 VanDerWaalsContact O-CB 3.28Å; L107-K111 WeakPolarHBondContact O-CB 3.23Å; L107-K111 PolarHBondContact O-N 3.13Å; L107-F125 HydrophobicContact CB-CE1 3.83Å; L107-F125 HydrophobicContact CB-CZ 4.13Å; L107-M129 HydrophobicContact CD1-CB 3.93Å; L107-M129 HydrophobicContact CD1-CG 4.35Å; L107-V131 HydrophobicContact CD1-CG2 3.39Å |
| 108 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.7 | -47.7 | 174.2 | 172.8 | 0 | 0 | 0 | 0 | 110.4 | V92 L104 A105 R106 E110 T112 H114 L117 F125 | V92-V108 HydrophobicContact CG1-CG2 3.89Å; L104-V108 WeakPolarHBondContact O-CG2 3.23Å; L104-V108 PolarHBondContact O-N 2.98Å; A105-V108 WeakPolarHBondContact O-CB 3.29Å; A105-V108 PolarHBondContact O-N 2.94Å; R106-V108 VanDerWaalsContact C-N 3.29Å; R106-V108 PolarHBondContact O-N 3.4Å; V108-E110 PolarHBondContact O-N 3.44Å; V108-T112 PolarHBondContact O-N 2.99Å; V108-T112 PolarHBondContact O-OG1 2.94Å; V108-H114 WeakPolarHBondContact CG1-O 3.2Å; V108-L117 HydrophobicContact CG1-CG 4.37Å; V108-L117 HydrophobicContact CG2-CB 4.34Å; V108-L117 HydrophobicContact CG2-CD1 3.89Å; V108-L117 HydrophobicContact CG2-CG 4.03Å; V108-F125 HydrophobicContact CB-CE1 4.44Å; V108-F125 HydrophobicContact CG2-CD1 3.93Å; V108-F125 HydrophobicContact CG2-CE1 3.67Å |
| 109 | M | 98.8 | Very high | 98.6 | Very high | 24 Ų | 24 | 50.3 Ų | 50.3 | 12% | 0.118 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.3 | -45.3 | 177.3 | -174.5 | 174.9 | 76.6 | 0 | 0 | 112.6 | V45 I81 S88 A105 R106 L107 | V45-M109 HydrophobicContact CG1-CE 3.96Å; I81-M109 HydrophobicContact CG2-SD 4.26Å; S88-M109 VanDerWaalsContact O-SD 3.42Å; A105-M109 PolarHBondContact O-N 3.33Å; A105-M109 VanDerWaalsContact O-N 3.14Å; R106-M109 HydrophobicContact CG-CE 4.24Å; R106-M109 WeakPolarHBondContact O-CB 3.32Å; R106-M109 PolarHBondContact O-N 3.13Å; L107-M109 VanDerWaalsContact C-N 3.35Å |
| 110 | E | 98.6 | Very high | 98.5 | Very high | 89 Ų | 89 | 55 Ų | 55 | 42% | 0.416 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -91.6 | -25.2 | -169.4 | -68.3 | -176.4 | 179.9 | 0 | 0 | 114.7 | R106 L107 V108 | R106-E110 HydrophobicContact CG-CG 4.38Å; R106-E110 IonicContact CZ-OE1 2.54Å; R106-E110 IonicContact NE-OE1 3.68Å; R106-E110 PolarHBondContact NE-OE1 2.83Å; R106-E110 IonicContact NH2-OE1 3.3Å; R106-E110 PolarHBondContact NH2-OE1 3.07Å; R106-E110 PolarHBondContact O-N 2.87Å; L107-E110 PolarHBondContact O-N 3.3Å; V108-E110 PolarHBondContact O-N 3.44Å |
| 111 | K | 98.6 | Very high | 98.5 | Very high | 129 Ų | 129 | 56 Ų | 56 | 56% | 0.561 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -117 | 1.5 | -168.9 | -52 | -60.4 | 177.1 | -162.1 | 0 | 114 | L107 F125 M129 | L107-K111 HydrophobicContact CD2-CG 4.09Å; L107-K111 VanDerWaalsContact O-CB 3.28Å; L107-K111 WeakPolarHBondContact O-CB 3.23Å; L107-K111 PolarHBondContact O-N 3.13Å; K111-F125 HydrophobicContact CB-CE2 4.46Å; K111-F125 HydrophobicContact CB-CZ 4.11Å; K111-M129 HydrophobicContact CB-SD 3.97Å; K111-M129 HydrophobicContact CG-SD 4.01Å |
| 112 | T | 98.6 | Very high | 98.5 | Very high | 29 Ų | 29 | 56 Ų | 56 | 18% | 0.178 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -132.9 | 158.3 | 179.7 | 84.7 | 0 | 0 | 0 | 0 | 111 | V108 H114 F125 | V108-T112 PolarHBondContact O-N 2.99Å; V108-T112 PolarHBondContact O-OG1 2.94Å; T112-H114 PolarHBondContact O-N 2.9Å; T112-H114 PolarHBondContact OG1-N 3.25Å; T112-H114 VanDerWaalsContact OG1-N 3.09Å; T112-H114 PolarHBondContact OG1-O 2.84Å; T112-F125 HydrophobicContact CG2-CD2 4.09Å; T112-F125 HydrophobicContact CG2-CE1 4.26Å; T112-F125 HydrophobicContact CG2-CE2 3.35Å; T112-F125 HydrophobicContact CG2-CZ 3.45Å; T112-F125 VanDerWaalsContact CG2-CZ 3.45Å |
| 113 | P | 97.8 | Very high | 98.5 | Very high | 122 Ų | 122 | 58.4 Ų | 58.4 | 79% | 0.792 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -81.9 | 13.2 | 168.8 | 35.9 | -36 | 0 | 0 | 0 | 112.5 | ||
| 114 | H | 98.5 | Very high | 98.5 | Very high | 111 Ų | 111 | 60.6 Ų | 60.6 | 51% | 0.514 | 33% | 0.326 | S | S | . | . | trans | -119.4 | 150.6 | -172.1 | -55.4 | -50.9 | 0 | 0 | 0 | 110.6 | V108 T112 | V108-H114 WeakPolarHBondContact CG1-O 3.2Å; T112-H114 PolarHBondContact O-N 2.9Å; T112-H114 PolarHBondContact OG1-N 3.25Å; T112-H114 VanDerWaalsContact OG1-N 3.09Å; T112-H114 PolarHBondContact OG1-O 2.84Å | ||
| 115 | C | 98.6 | Very high | 98.5 | Very high | 69 Ų | 69 | 62 Ų | 62 | 47% | 0.466 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -92.1 | -16 | 178.1 | -52.9 | 0 | 0 | 0 | 0 | 113.3 | G90 A91 | G90-C115 CarbonylContact C-O 3.59Å; G90-C115 WeakPolarHBondContact CA-O 3.31Å; A91-C115 WeakPolarHBondContact CB-O 3.45Å; A91-C115 PolarHBondContact N-O 2.71Å |
| 116 | F | 98.5 | Very high | 98.4 | Very high | 81 Ų | 81 | 62.1 Ų | 62.1 | 36% | 0.355 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 125.5 | -165.8 | -157.8 | 128.2 | 0 | 0 | 0 | 111.1 | A91 S93 P201 | A91-F116 HydrophobicContact CB-CB 4.44Å; A91-F116 HydrophobicContact CB-CD1 3.74Å; A91-F116 HydrophobicContact CB-CE1 4.13Å; A91-F116 HydrophobicContact CB-CG 4.04Å; A91-F116 WeakPolarHBondContact O-CA 3.36Å; S93-F116 WeakPolarHBondContact OG-CE2 3.49Å; S93-F116 WeakPolarHBondContact OG-CZ 3.23Å; F116-P201 HydrophobicContact CE1-CB 3.7Å; F116-P201 HydrophobicContact CE1-CG 4.1Å; F116-P201 WeakPolarHBondContact CE1-O 3.33Å; F116-P201 HydrophobicContact CZ-CB 3.65Å; F116-P201 HydrophobicContact CZ-CG 3.87Å |
| 117 | L | 98.8 | Very high | 98.4 | Very high | 35 Ų | 35 | 63.7 Ų | 63.7 | 18% | 0.183 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 153 | 165 | -61.5 | -177.7 | 0 | 0 | 0 | 111 | A91 V92 S93 V108 A122 F125 | A91-L117 PolarHBondContact O-N 3.24Å; V92-L117 VanDerWaalsContact CA-O 3.24Å; V92-L117 WeakPolarHBondContact CA-O 3.45Å; S93-L117 PolarHBondContact N-O 3.36Å; V108-L117 HydrophobicContact CG1-CG 4.37Å; V108-L117 HydrophobicContact CG2-CB 4.34Å; V108-L117 HydrophobicContact CG2-CD1 3.89Å; V108-L117 HydrophobicContact CG2-CG 4.03Å; L117-A122 HydrophobicContact CB-CB 3.85Å; L117-F125 HydrophobicContact CD1-CB 3.48Å; L117-F125 VanDerWaalsContact CD1-CB 3.48Å; L117-F125 HydrophobicContact CD1-CD1 3.59Å; L117-F125 HydrophobicContact CD1-CD2 4.19Å; L117-F125 HydrophobicContact CD1-CE1 4.37Å; L117-F125 HydrophobicContact CD1-CG 3.47Å; L117-F125 VanDerWaalsContact CD1-CG 3.47Å |
| 118 | T | 98.6 | Very high | 98.4 | Very high | 68 Ų | 68 | 65.4 Ų | 65.4 | 42% | 0.417 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 153 | -179.1 | -170.2 | 0 | 0 | 0 | 0 | 112 | S93 Q120 G121 A122 | S93-T118 WeakPolarHBondContact O-CA 3.32Å; S93-T118 PolarHBondContact O-OG1 3.19Å; S93-T118 WeakPolarHBondContact OG-CB 3.08Å; S93-T118 PolarHBondContact OG-OG1 3.43Å; T118-Q120 PolarHBondContact O-N 3.45Å; T118-G121 PolarHBondContact O-N 3.34Å; T118-A122 PolarHBondContact O-N 3.2Å; T118-A122 VanDerWaalsContact O-N 3.11Å |
| 119 | D | 97.3 | Very high | 98.4 | Very high | 80 Ų | 80 | 69.1 Ų | 69.1 | 43% | 0.428 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | 48.1 | -127.6 | 166.7 | -176 | 30.8 | 0 | 0 | 0 | 112.1 | S93 A94 G121 A122 A123 | S93-D119 PolarHBondContact O-N 2.95Å; A94-D119 HydrophobicContact CB-CB 4.45Å; D119-G121 VanDerWaalsContact C-N 3.25Å; D119-G121 PolarHBondContact O-N 2.74Å; D119-A122 PolarHBondContact O-N 2.83Å; D119-A122 VanDerWaalsContact O-N 3.13Å; D119-A123 PolarHBondContact O-N 2.98Å |
| 120 | Q | 97.5 | Very high | 98.4 | Very high | 134 Ų | 134 | 70.9 Ų | 70.9 | 63% | 0.626 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -60.3 | -33.2 | -177.8 | -64.4 | -175.9 | -1.2 | 0 | 0 | 113.2 | T118 A123 Q124 | T118-Q120 PolarHBondContact O-N 3.45Å; Q120-A123 PolarHBondContact O-N 2.98Å; Q120-Q124 WeakPolarHBondContact O-CB 3.37Å; Q120-Q124 VanDerWaalsContact O-CG 3.28Å; Q120-Q124 WeakPolarHBondContact O-CG 3.38Å; Q120-Q124 PolarHBondContact O-N 2.83Å |
| 121 | G | 98.5 | Very high | 98.3 | Very high | 37 Ų | 37 | 68.1 Ų | 68.1 | 38% | 0.381 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -67 | -40.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | T118 D119 F125 | T118-G121 PolarHBondContact O-N 3.34Å; D119-G121 VanDerWaalsContact C-N 3.25Å; D119-G121 PolarHBondContact O-N 2.74Å; G121-F125 WeakPolarHBondContact O-CB 3.31Å; G121-F125 PolarHBondContact O-N 3.17Å; G121-F125 VanDerWaalsContact O-N 3.1Å |
| 122 | A | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -67.8 | -38.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | V92 V95 L104 L117 T118 D119 F125 A126 | V92-A122 HydrophobicContact CG1-CB 4.26Å; V95-A122 HydrophobicContact CG1-CB 3.51Å; L104-A122 HydrophobicContact CD2-CB 4.41Å; L117-A122 HydrophobicContact CB-CB 3.85Å; T118-A122 PolarHBondContact O-N 3.2Å; T118-A122 VanDerWaalsContact O-N 3.11Å; D119-A122 PolarHBondContact O-N 2.83Å; D119-A122 VanDerWaalsContact O-N 3.13Å; A122-F125 PolarHBondContact O-N 3.26Å; A122-A126 WeakPolarHBondContact O-CB 3.19Å; A122-A126 PolarHBondContact O-N 3.17Å |
| 123 | A | 97.9 | Very high | 98.1 | Very high | 51 Ų | 51 | 73 Ų | 73 | 42% | 0.421 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64.6 | -44.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | D119 Q120 F125 A126 A127 | D119-A123 PolarHBondContact O-N 2.98Å; Q120-A123 PolarHBondContact O-N 2.98Å; A123-F125 VanDerWaalsContact C-N 3.31Å; A123-F125 PolarHBondContact O-N 2.98Å; A123-A126 WeakPolarHBondContact O-CB 3.3Å; A123-A126 PolarHBondContact O-N 3.09Å; A123-A127 PolarHBondContact O-N 2.98Å |
| 124 | Q | 98.4 | Very high | 98.1 | Very high | 135 Ų | 135 | 68.8 Ų | 68.8 | 63% | 0.631 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -61.1 | -42 | 174.9 | -73.2 | 172.4 | 26 | 0 | 0 | 111.6 | Q120 A127 A128 | Q120-Q124 WeakPolarHBondContact O-CB 3.37Å; Q120-Q124 VanDerWaalsContact O-CG 3.28Å; Q120-Q124 WeakPolarHBondContact O-CG 3.38Å; Q120-Q124 PolarHBondContact O-N 2.83Å; Q124-A127 PolarHBondContact O-N 3.3Å; Q124-A128 WeakPolarHBondContact O-CB 3.49Å; Q124-A128 PolarHBondContact O-N 2.83Å |
| 125 | F | 98.7 | Very high | 98 | Very high | 28 Ų | 28 | 66.7 Ų | 66.7 | 12% | 0.123 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -64.5 | -43.3 | 175.6 | 176.4 | -109 | 0 | 0 | 0 | 112.1 | L104 L107 V108 K111 T112 L117 G121 A122 A123 A127 A128 M129 | L104-F125 HydrophobicContact CD1-CD1 3.81Å; L104-F125 HydrophobicContact CD1-CE1 4.1Å; L107-F125 HydrophobicContact CB-CE1 3.83Å; L107-F125 HydrophobicContact CB-CZ 4.13Å; V108-F125 HydrophobicContact CB-CE1 4.44Å; V108-F125 HydrophobicContact CG2-CD1 3.93Å; V108-F125 HydrophobicContact CG2-CE1 3.67Å; K111-F125 HydrophobicContact CB-CE2 4.46Å; K111-F125 HydrophobicContact CB-CZ 4.11Å; T112-F125 HydrophobicContact CG2-CD2 4.09Å; T112-F125 HydrophobicContact CG2-CE1 4.26Å; T112-F125 HydrophobicContact CG2-CE2 3.35Å; T112-F125 HydrophobicContact CG2-CZ 3.45Å; T112-F125 VanDerWaalsContact CG2-CZ 3.45Å; L117-F125 HydrophobicContact CD1-CB 3.48Å; L117-F125 VanDerWaalsContact CD1-CB 3.48Å; L117-F125 HydrophobicContact CD1-CD1 3.59Å; L117-F125 HydrophobicContact CD1-CD2 4.19Å; L117-F125 HydrophobicContact CD1-CE1 4.37Å; L117-F125 HydrophobicContact CD1-CG 3.47Å; L117-F125 VanDerWaalsContact CD1-CG 3.47Å; G121-F125 WeakPolarHBondContact O-CB 3.31Å; G121-F125 PolarHBondContact O-N 3.17Å; G121-F125 VanDerWaalsContact O-N 3.1Å; A122-F125 PolarHBondContact O-N 3.26Å; A123-F125 VanDerWaalsContact C-N 3.31Å; A123-F125 PolarHBondContact O-N 2.98Å; F125-A127 VanDerWaalsContact C-N 3.34Å; F125-A127 PolarHBondContact O-N 3.42Å; F125-A128 PolarHBondContact O-N 2.91Å; F125-M129 HydrophobicContact CD1-CG 4.41Å; F125-M129 HydrophobicContact CD2-CG 4.1Å; F125-M129 HydrophobicContact CE1-CG 3.96Å; F125-M129 HydrophobicContact CE2-CE 4.11Å; F125-M129 HydrophobicContact CE2-CG 3.6Å; F125-M129 HydrophobicContact CE2-SD 3.86Å; F125-M129 HydrophobicContact CG-CG 4.48Å; F125-M129 HydrophobicContact CZ-CG 3.53Å; F125-M129 HydrophobicContact CZ-SD 4Å; F125-M129 WeakPolarHBondContact O-CG 3.04Å; F125-M129 PolarHBondContact O-N 3.1Å |
| 126 | A | 98.6 | Very high | 97.8 | Very high | 4 Ų | 4 | 64.4 Ų | 64.4 | 3% | 0.033 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -56.3 | -48 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | I98 L104 A122 A123 A128 M129 G130 V131 | I98-A126 HydrophobicContact CD1-CB 3.59Å; L104-A126 HydrophobicContact CD1-CB 3.6Å; L104-A126 HydrophobicContact CD2-CB 4Å; L104-A126 HydrophobicContact CG-CB 4.46Å; A122-A126 WeakPolarHBondContact O-CB 3.19Å; A122-A126 PolarHBondContact O-N 3.17Å; A123-A126 WeakPolarHBondContact O-CB 3.3Å; A123-A126 PolarHBondContact O-N 3.09Å; A126-A128 PolarHBondContact O-N 3.36Å; A126-M129 PolarHBondContact O-N 3.48Å; A126-G130 PolarHBondContact O-N 2.88Å; A126-V131 HydrophobicContact CB-CB 4.02Å; A126-V131 HydrophobicContact CB-CG1 4.47Å; A126-V131 HydrophobicContact CB-CG2 4.38Å; A126-V131 WeakPolarHBondContact O-CB 3.08Å; A126-V131 PolarHBondContact O-N 2.93Å |
| 127 | A | 98.4 | Very high | 97.7 | Very high | 73 Ų | 73 | 67.7 Ų | 67.7 | 60% | 0.603 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -61.2 | -43.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A123 Q124 F125 M129 G130 | A123-A127 PolarHBondContact O-N 2.98Å; Q124-A127 PolarHBondContact O-N 3.3Å; F125-A127 VanDerWaalsContact C-N 3.34Å; F125-A127 PolarHBondContact O-N 3.42Å; A127-M129 VanDerWaalsContact C-N 3.27Å; A127-M129 PolarHBondContact O-N 2.88Å; A127-G130 PolarHBondContact O-N 3.04Å |
| 128 | A | 98.5 | Very high | 97.6 | Very high | 74 Ų | 74 | 72.8 Ų | 72.8 | 61% | 0.612 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -63.3 | -31.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q124 F125 A126 G130 | Q124-A128 WeakPolarHBondContact O-CB 3.49Å; Q124-A128 PolarHBondContact O-N 2.83Å; F125-A128 PolarHBondContact O-N 2.91Å; A126-A128 PolarHBondContact O-N 3.36Å; A128-G130 VanDerWaalsContact C-N 3.32Å |
| 129 | M | 98.4 | Very high | 97.5 | Very high | 79 Ų | 79 | 69.7 Ų | 69.7 | 39% | 0.389 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -1.8 | 175.7 | -64.1 | -60.2 | 96 | 0 | 0 | 113.6 | L107 K111 F125 A126 A127 V131 | L107-M129 HydrophobicContact CD1-CB 3.93Å; L107-M129 HydrophobicContact CD1-CG 4.35Å; K111-M129 HydrophobicContact CB-SD 3.97Å; K111-M129 HydrophobicContact CG-SD 4.01Å; F125-M129 HydrophobicContact CD1-CG 4.41Å; F125-M129 HydrophobicContact CD2-CG 4.1Å; F125-M129 HydrophobicContact CE1-CG 3.96Å; F125-M129 HydrophobicContact CE2-CE 4.11Å; F125-M129 HydrophobicContact CE2-CG 3.6Å; F125-M129 HydrophobicContact CE2-SD 3.86Å; F125-M129 HydrophobicContact CG-CG 4.48Å; F125-M129 HydrophobicContact CZ-CG 3.53Å; F125-M129 HydrophobicContact CZ-SD 4Å; F125-M129 WeakPolarHBondContact O-CG 3.04Å; F125-M129 PolarHBondContact O-N 3.1Å; A126-M129 PolarHBondContact O-N 3.48Å; A127-M129 VanDerWaalsContact C-N 3.27Å; A127-M129 PolarHBondContact O-N 2.88Å; M129-V131 VanDerWaalsContact C-N 3.35Å; M129-V131 HydrophobicContact CB-CG2 4.34Å |
| 130 | G | 98.1 | Very high | 97.5 | Very high | 60 Ų | 60 | 67.2 Ų | 67.2 | 62% | 0.619 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.5 | 21.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | A126 A127 A128 P132 | A126-G130 PolarHBondContact O-N 2.88Å; A127-G130 PolarHBondContact O-N 3.04Å; A128-G130 VanDerWaalsContact C-N 3.32Å; G130-P132 WeakPolarHBondContact O-CD 3.43Å |
| 131 | V | 98.1 | Very high | 97.4 | Very high | 31 Ų | 31 | 61.9 Ų | 61.9 | 19% | 0.188 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 125.3 | 172.4 | 178.8 | 0 | 0 | 0 | 0 | 108.6 | I98 L104 L107 A126 M129 E133 | I98-V131 HydrophobicContact CD1-CG1 4.5Å; I98-V131 HydrophobicContact CG1-CG1 4.46Å; I98-V131 HydrophobicContact CG2-CG1 3.89Å; L104-V131 HydrophobicContact CD1-CG2 4.28Å; L107-V131 HydrophobicContact CD1-CG2 3.39Å; A126-V131 HydrophobicContact CB-CB 4.02Å; A126-V131 HydrophobicContact CB-CG1 4.47Å; A126-V131 HydrophobicContact CB-CG2 4.38Å; A126-V131 WeakPolarHBondContact O-CB 3.08Å; A126-V131 PolarHBondContact O-N 2.93Å; M129-V131 VanDerWaalsContact C-N 3.35Å; M129-V131 HydrophobicContact CB-CG2 4.34Å; V131-E133 PolarHBondContact O-N 3.45Å |
| 132 | P | 95.7 | Very high | 97.2 | Very high | 99 Ų | 99 | 65.6 Ų | 65.6 | 64% | 0.643 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 124.9 | -179.5 | -23.3 | 34 | 0 | 0 | 0 | 112.1 | G130 | G130-P132 WeakPolarHBondContact O-CD 3.43Š|
| 133 | E | 97.2 | Very high | 96.9 | Very high | 161 Ų | 161 | 68 Ų | 68 | 75% | 0.752 | 39% | 0.391 | S | S | * | . | B | Isolated β-bridge | trans | -75.3 | 133.6 | 165.5 | -168.8 | 177.7 | 176.6 | 0 | 0 | 109.4 | C97 V131 | C97-E133 HydrophobicContact CB-CG 3.78Å; C97-E133 CarbonylContact O-C 3.59Å; C97-E133 WeakPolarHBondContact O-CA 3.33Å; V131-E133 PolarHBondContact O-N 3.45Å |
| 134 | I | 96.8 | Very high | 96.7 | Very high | 35 Ų | 35 | 65.6 Ų | 65.6 | 18% | 0.179 | 37% | 0.371 | C | S | . | . | trans | -119.4 | 147.9 | 176.5 | 61.1 | 163.6 | 0 | 0 | 0 | 110.2 | C97 A99 G136 L139 | C97-I134 WeakPolarHBondContact CA-O 3.13Å; C97-I134 WeakPolarHBondContact CB-O 3.05Å; C97-I134 WeakPolarHBondContact O-CG1 3.28Å; C97-I134 PolarHBondContact O-N 2.98Å; A99-I134 HydrophobicContact CB-CD1 3.94Å; I134-G136 PolarHBondContact O-N 3.37Å; I134-L139 HydrophobicContact CD1-CD1 4.22Å; I134-L139 HydrophobicContact CD1-CD2 3.65Å; I134-L139 HydrophobicContact CD1-CG 3.76Å | ||
| 135 | P | 97 | Very high | 96.6 | Very high | 66 Ų | 66 | 63.4 Ų | 63.4 | 43% | 0.429 | 36% | 0.359 | S | S | . | . | trans | -54.7 | 129 | 172.2 | -24.2 | 32.7 | 0 | 0 | 0 | 110.8 | E137 K138 | P135-E137 WeakPolarHBondContact CB-OE2 3.44Å; P135-E137 PolarHBondContact O-N 2.69Å; P135-E137 VanDerWaalsContact O-N 3.11Å; P135-K138 HydrophobicContact CB-CG 4.37Å; P135-K138 HydrophobicContact CG-CD 4.49Å; P135-K138 WeakPolarHBondContact O-CB 3.35Å; P135-K138 PolarHBondContact O-N 3.39Å | ||
| 136 | G | 95 | Very high | 96.4 | Very high | 22 Ų | 22 | 68.6 Ų | 68.6 | 23% | 0.227 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -56 | -30.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | I134 K138 L139 | I134-G136 PolarHBondContact O-N 3.37Å; G136-K138 PolarHBondContact O-N 2.59Å; G136-L139 WeakPolarHBondContact O-CB 3.35Å; G136-L139 PolarHBondContact O-N 3.2Å |
| 137 | E | 95.6 | Very high | 96 | Very high | 149 Ų | 149 | 70.6 Ų | 70.6 | 70% | 0.696 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -60.3 | -26.5 | 176.9 | -58.8 | 76.7 | -168.2 | 0 | 0 | 113 | P135 L139 V140 | P135-E137 WeakPolarHBondContact CB-OE2 3.44Å; P135-E137 PolarHBondContact O-N 2.69Å; P135-E137 VanDerWaalsContact O-N 3.11Å; E137-L139 PolarHBondContact O-N 3.36Å; E137-V140 PolarHBondContact O-N 3.07Å |
| 138 | K | 96.3 | Very high | 95.8 | Very high | 143 Ų | 143 | 67.6 Ų | 67.6 | 62% | 0.622 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -69.5 | -22.3 | 176.8 | -68.7 | -170.2 | 179.6 | 178.8 | 0 | 113 | P135 G136 | P135-K138 HydrophobicContact CB-CG 4.37Å; P135-K138 HydrophobicContact CG-CD 4.49Å; P135-K138 WeakPolarHBondContact O-CB 3.35Å; P135-K138 PolarHBondContact O-N 3.39Å; G136-K138 PolarHBondContact O-N 2.59Å |
| 139 | L | 97.4 | Very high | 95.6 | Very high | 3 Ų | 3 | 69.5 Ų | 69.5 | 2% | 0.016 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -85.4 | -16.7 | 176 | -62.5 | 172.8 | 0 | 0 | 0 | 112.2 | C65 G66 V75 M77 I134 G136 E137 | C65-L139 HydrophobicContact CB-CD2 4.33Å; G66-L139 PolarHBondContact N-O 2.68Å; G66-L139 VanDerWaalsContact N-O 3.08Å; V75-L139 HydrophobicContact CB-CB 4.38Å; V75-L139 HydrophobicContact CB-CD1 4.48Å; V75-L139 HydrophobicContact CG1-CB 4.32Å; V75-L139 HydrophobicContact CG1-CD1 4.07Å; V75-L139 HydrophobicContact CG2-CB 4.03Å; M77-L139 HydrophobicContact CE-CD1 3.64Å; M77-L139 HydrophobicContact SD-CD1 4.42Å; I134-L139 HydrophobicContact CD1-CD1 4.22Å; I134-L139 HydrophobicContact CD1-CD2 3.65Å; I134-L139 HydrophobicContact CD1-CG 3.76Å; G136-L139 WeakPolarHBondContact O-CB 3.35Å; G136-L139 PolarHBondContact O-N 3.2Å; E137-L139 PolarHBondContact O-N 3.36Å |
| 140 | V | 96.9 | Very high | 95.3 | Very high | 27 Ų | 27 | 70.9 Ų | 70.9 | 16% | 0.164 | 36% | 0.363 | C | S | . | . | trans | -87.4 | 125 | -174.8 | -178.5 | 0 | 0 | 0 | 0 | 110.7 | L69 V75 E137 K145 | L69-V140 HydrophobicContact CD1-CG1 4.06Å; L69-V140 HydrophobicContact CD2-CB 4.46Å; L69-V140 HydrophobicContact CD2-CG1 4.07Å; L69-V140 HydrophobicContact CD2-CG2 3.82Å; V75-V140 HydrophobicContact CG2-CG2 3.91Å; E137-V140 PolarHBondContact O-N 3.07Å; V140-K145 HydrophobicContact CG1-CD 4.19Å; V140-K145 HydrophobicContact CG1-CG 3.64Å | ||
| 141 | T | 95.1 | Very high | 94.9 | Very high | 23 Ų | 23 | 70.5 Ų | 70.5 | 14% | 0.141 | 35% | 0.345 | C | S | . | . | trans | -97.9 | 149.2 | 172.2 | 65.8 | 0 | 0 | 0 | 0 | 111.5 | P59 R143 N144 K145 | P59-T141 HydrophobicContact CB-CG2 3.86Å; T141-R143 PolarHBondContact O-N 3.4Å; T141-R143 VanDerWaalsContact O-N 3.16Å; T141-N144 PolarHBondContact O-N 3.18Å; T141-N144 PolarHBondContact OG1-N 2.99Å; T141-N144 PolarHBondContact OG1-ND2 2.91Å; T141-K145 PolarHBondContact O-N 3.11Å | ||
| 142 | E | 95.4 | Very high | 94.5 | Very high | 114 Ų | 114 | 74 Ų | 74 | 53% | 0.533 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -55.9 | -31.7 | 172.5 | -70.7 | -56.3 | 121.4 | 0 | 0 | 112.5 | K145 K146 | E142-K145 WeakPolarHBondContact OE1-CD 3.34Å; E142-K145 WeakPolarHBondContact OE1-CE 3.38Å; E142-K145 IonicContact OE1-NZ 3.96Å; E142-K145 PolarHBondContact OE1-NZ 3.25Å; E142-K146 WeakPolarHBondContact O-CG 3.35Å; E142-K146 PolarHBondContact O-N 3Å; E142-K146 VanDerWaalsContact O-N 3.11Å |
| 143 | R | 91.7 | Very high | 94.2 | Very high | 51 Ų | 51 | 77 Ų | 77 | 19% | 0.192 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.6 | -45.9 | 172.9 | -178.3 | -174.4 | 69.6 | 176.1 | 5.6 | 111.6 | P59 E60 T141 R147 | P59-R143 VanDerWaalsContact O-CZ 3.24Å; P59-R143 PolarHBondContact O-NH1 3.45Å; P59-R143 PolarHBondContact O-NH2 3.37Å; E60-R143 PolarHBondContact O-NH1 3.39Å; E60-R143 PolarHBondContact O-NH2 3.4Å; E60-R143 VanDerWaalsContact O-NH2 3.08Å; E60-R143 IonicContact OE2-NH1 2.71Å; E60-R143 PolarHBondContact OE2-NH1 3.2Å; T141-R143 PolarHBondContact O-N 3.4Å; T141-R143 VanDerWaalsContact O-N 3.16Å; R143-R147 VanDerWaalsContact O-CG 3.28Å; R143-R147 WeakPolarHBondContact O-CG 3.31Å; R143-R147 PolarHBondContact O-N 2.99Å |
| 144 | N | 93.8 | Very high | 93.5 | Very high | 1 Ų | 1 | 73 Ų | 73 | 1% | 0.005 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -77.5 | -29.2 | -177.5 | -68.7 | -22.4 | 0 | 0 | 0 | 112.9 | G66 S67 L69 T141 R147 L148 | G66-N144 PolarHBondContact O-ND2 2.94Å; S67-N144 VanDerWaalsContact C-ND2 3.33Å; S67-N144 PolarHBondContact O-ND2 3.31Å; L69-N144 HydrophobicContact CG-CB 4.27Å; T141-N144 PolarHBondContact O-N 3.18Å; T141-N144 PolarHBondContact OG1-N 2.99Å; T141-N144 PolarHBondContact OG1-ND2 2.91Å; N144-R147 PolarHBondContact O-N 2.87Å; N144-R147 PolarHBondContact OD1-NH1 3.37Å; N144-R147 VanDerWaalsContact OD1-NH1 3.14Å; N144-L148 PolarHBondContact O-N 3.31Å |
| 145 | K | 96 | Very high | 91.9 | Very high | 88 Ų | 88 | 77.5 Ų | 77.5 | 38% | 0.383 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -58.4 | -53.5 | 167.5 | -67.3 | -178.3 | -174.6 | 165.7 | 0 | 111.3 | L69 V140 T141 E142 R147 L148 E149 | L69-K145 HydrophobicContact CD1-CG 4.25Å; V140-K145 HydrophobicContact CG1-CD 4.19Å; V140-K145 HydrophobicContact CG1-CG 3.64Å; T141-K145 PolarHBondContact O-N 3.11Å; E142-K145 WeakPolarHBondContact OE1-CD 3.34Å; E142-K145 WeakPolarHBondContact OE1-CE 3.38Å; E142-K145 IonicContact OE1-NZ 3.96Å; E142-K145 PolarHBondContact OE1-NZ 3.25Å; K145-R147 VanDerWaalsContact C-N 3.28Å; K145-R147 PolarHBondContact O-N 3.2Å; K145-L148 PolarHBondContact O-N 3.43Å; K145-L148 VanDerWaalsContact O-N 3.11Å; K145-E149 WeakPolarHBondContact O-CG 3.43Å; K145-E149 PolarHBondContact O-N 3.17Å |
| 146 | K | 94.1 | Very high | 89.6 | Confident | 138 Ų | 138 | 78.4 Ų | 78.4 | 60% | 0.6 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -59.9 | -36.3 | 177.3 | -71.1 | 177.4 | -178.8 | 179.1 | 0 | 112.9 | E142 K150 | E142-K146 WeakPolarHBondContact O-CG 3.35Å; E142-K146 PolarHBondContact O-N 3Å; E142-K146 VanDerWaalsContact O-N 3.11Å; K146-K150 VanDerWaalsContact O-CB 3.29Å; K146-K150 WeakPolarHBondContact O-CB 3.31Å; K146-K150 PolarHBondContact O-N 3.47Å |
| 147 | R | 90.7 | Very high | 87.2 | Confident | 45 Ų | 45 | 80.5 Ų | 80.5 | 17% | 0.17 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -65.4 | -44.7 | 174.8 | -76.9 | 172.3 | 176.4 | 174.4 | -5.2 | 111.8 | R143 N144 K145 K150 E151 V190 | R143-R147 VanDerWaalsContact O-CG 3.28Å; R143-R147 WeakPolarHBondContact O-CG 3.31Å; R143-R147 PolarHBondContact O-N 2.99Å; N144-R147 PolarHBondContact O-N 2.87Å; N144-R147 PolarHBondContact OD1-NH1 3.37Å; N144-R147 VanDerWaalsContact OD1-NH1 3.14Å; K145-R147 VanDerWaalsContact C-N 3.28Å; K145-R147 PolarHBondContact O-N 3.2Å; R147-K150 PolarHBondContact O-N 2.97Å; R147-E151 WeakPolarHBondContact O-CB 3.42Å; R147-E151 PolarHBondContact O-N 2.96Å; R147-V190 HydrophobicContact CB-CG2 4.39Å |
| 148 | L | 93.9 | Very high | 84.1 | Confident | 11 Ų | 11 | 83 Ų | 83 | 6% | 0.058 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -61.9 | -45.9 | 176.8 | 179.4 | 64.7 | 0 | 0 | 0 | 111.3 | L69 N144 K145 K150 E151 K152 N191 | L69-L148 HydrophobicContact CB-CB 4.42Å; L69-L148 HydrophobicContact CB-CD2 3.9Å; L69-L148 HydrophobicContact CD1-CB 4.34Å; L69-L148 HydrophobicContact CD1-CD2 4.06Å; N144-L148 PolarHBondContact O-N 3.31Å; K145-L148 PolarHBondContact O-N 3.43Å; K145-L148 VanDerWaalsContact O-N 3.11Å; L148-K150 PolarHBondContact O-N 2.79Å; L148-E151 PolarHBondContact O-N 3.12Å; L148-K152 HydrophobicContact CD1-CD 4.39Å; L148-K152 HydrophobicContact CD1-CG 4.33Å; L148-K152 HydrophobicContact CG-CD 4.22Å; L148-K152 WeakPolarHBondContact O-CB 3.23Å; L148-K152 WeakPolarHBondContact O-CG 3.44Å; L148-K152 PolarHBondContact O-N 2.82Å; L148-N191 HydrophobicContact CD1-CB 3.74Å |
| 149 | E | 94.6 | Very high | 81.4 | Confident | 114 Ų | 114 | 84.2 Ų | 84.2 | 53% | 0.533 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -57 | -50.6 | 176 | -70.9 | 172.8 | 167.9 | 0 | 0 | 111 | K145 E151 K152 H153 | K145-E149 WeakPolarHBondContact O-CG 3.43Å; K145-E149 PolarHBondContact O-N 3.17Å; E149-E151 PolarHBondContact O-N 2.61Å; E149-K152 PolarHBondContact O-N 2.91Å; E149-H153 PolarHBondContact O-CD2 2.82Å; E149-H153 PolarHBondContact O-N 2.86Å |
| 150 | K | 91.8 | Very high | 78.5 | Confident | 107 Ų | 107 | 90.7 Ų | 90.7 | 47% | 0.465 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -57.4 | -46.6 | 177.2 | -177.8 | 175 | 179.6 | 172.7 | 0 | 112.1 | K146 R147 L148 K152 H153 E154 | K146-K150 VanDerWaalsContact O-CB 3.29Å; K146-K150 WeakPolarHBondContact O-CB 3.31Å; K146-K150 PolarHBondContact O-N 3.47Å; R147-K150 PolarHBondContact O-N 2.97Å; L148-K150 PolarHBondContact O-N 2.79Å; K150-K152 VanDerWaalsContact C-N 3.35Å; K150-K152 PolarHBondContact O-N 2.94Å; K150-H153 PolarHBondContact O-N 3.05Å; K150-E154 WeakPolarHBondContact CE-OE1 3.11Å; K150-E154 HydrophobicContact CG-CG 4.31Å; K150-E154 IonicContact NZ-OE1 2.95Å; K150-E154 WeakPolarHBondContact O-CB 3.14Å; K150-E154 WeakPolarHBondContact O-CG 3.26Å; K150-E154 PolarHBondContact O-N 2.93Å |
| 151 | E | 89.5 | Confident | 75.8 | Confident | 52 Ų | 52 | 93.7 Ų | 93.7 | 24% | 0.243 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -64.5 | -38.1 | 179 | -168.7 | 66.8 | -158.2 | 0 | 0 | 112 | R147 L148 E149 E154 K155 V190 N191 | R147-E151 WeakPolarHBondContact O-CB 3.42Å; R147-E151 PolarHBondContact O-N 2.96Å; L148-E151 PolarHBondContact O-N 3.12Å; E149-E151 PolarHBondContact O-N 2.61Å; E151-E154 PolarHBondContact O-N 2.86Å; E151-K155 PolarHBondContact O-N 2.93Å; E151-K155 VanDerWaalsContact O-N 3.14Å; E151-V190 HydrophobicContact CB-CG1 4.48Å; E151-V190 HydrophobicContact CB-CG2 4.24Å; E151-V190 HydrophobicContact CG-CG1 4.08Å; E151-V190 HydrophobicContact CG-CG2 4.5Å; E151-N191 HydrophobicContact CB-CB 4.21Å; E151-N191 HydrophobicContact CG-CB 3.63Å |
| 152 | K | 90.4 | Very high | 73.1 | Confident | 104 Ų | 104 | 95.4 Ų | 95.4 | 45% | 0.452 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.9 | -38.3 | 174.6 | -76.7 | -178.7 | 174.6 | -177.8 | 0 | 111.9 | T71 L148 E149 K150 | T71-K152 WeakPolarHBondContact O-CE 3.39Å; T71-K152 PolarHBondContact O-NZ 3.05Å; L148-K152 HydrophobicContact CD1-CD 4.39Å; L148-K152 HydrophobicContact CD1-CG 4.33Å; L148-K152 HydrophobicContact CG-CD 4.22Å; L148-K152 WeakPolarHBondContact O-CB 3.23Å; L148-K152 WeakPolarHBondContact O-CG 3.44Å; L148-K152 PolarHBondContact O-N 2.82Å; E149-K152 PolarHBondContact O-N 2.91Å; K150-K152 VanDerWaalsContact C-N 3.35Å; K150-K152 PolarHBondContact O-N 2.94Å |
| 153 | H | 89.1 | Confident | 70.7 | Confident | 163 Ų | 163 | 94 Ų | 94 | 76% | 0.755 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -72.7 | -37.8 | 174.6 | -73.2 | -65.1 | 0 | 0 | 0 | 112.9 | E149 K150 | E149-H153 PolarHBondContact O-CD2 2.82Å; E149-H153 PolarHBondContact O-N 2.86Å; K150-H153 PolarHBondContact O-N 3.05Å |
| 154 | E | 81.8 | Confident | 68.7 | Low | 77 Ų | 77 | 97 Ų | 97 | 36% | 0.36 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -75.2 | -20.6 | -177.5 | -74.8 | -177.2 | -177.8 | 0 | 0 | 113.6 | K150 E151 G156 A157 K164 | K150-E154 WeakPolarHBondContact CE-OE1 3.11Å; K150-E154 HydrophobicContact CG-CG 4.31Å; K150-E154 IonicContact NZ-OE1 2.95Å; K150-E154 WeakPolarHBondContact O-CB 3.14Å; K150-E154 WeakPolarHBondContact O-CG 3.26Å; K150-E154 PolarHBondContact O-N 2.93Å; E151-E154 PolarHBondContact O-N 2.86Å; E154-G156 PolarHBondContact O-N 3.17Å; E154-A157 PolarHBondContact O-N 3.16Å; E154-K164 IonicContact OE1-NZ 2.74Å; E154-K164 IonicContact OE2-NZ 3.45Å; E154-K164 PolarHBondContact OE2-NZ 3.45Å |
| 155 | K | 63.2 | Low | 66.8 | Low | 130 Ų | 130 | 98.2 Ų | 98.2 | 57% | 0.565 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -12.9 | 176.8 | -95.9 | -174.2 | 176.1 | 169.2 | 0 | 115.2 | E151 A157 N191 | E151-K155 PolarHBondContact O-N 2.93Å; E151-K155 VanDerWaalsContact O-N 3.14Å; K155-A157 PolarHBondContact O-N 2.92Å; K155-N191 VanDerWaalsContact CE-ND2 3.29Å; K155-N191 WeakPolarHBondContact CE-ND2 3.49Å; K155-N191 PolarHBondContact NZ-ND2 3.49Å |
| 156 | G | 50.2 | Low | 65.2 | Low | 85 Ų | 85 | 94.1 Ų | 94.1 | 88% | 0.876 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -19.6 | 165.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | E154 | E154-G156 PolarHBondContact O-N 3.17Š|
| 157 | A | 43.4 | Very low | 64.6 | Low | 66 Ų | 66 | 88.2 Ų | 88.2 | 55% | 0.545 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -121.2 | 114.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | E154 K155 K159 | E154-A157 PolarHBondContact O-N 3.16Å; K155-A157 PolarHBondContact O-N 2.92Å; A157-K159 PolarHBondContact O-N 2.8Å |
| 158 | Q | 31.4 | Very low | 64.8 | Low | 201 Ų | 201 | 86.4 Ų | 86.4 | 94% | 0.939 | 45% | 0.451 | S | S | * | . | trans | -51.1 | 105.2 | 172.6 | -77.8 | 175.4 | -20.3 | 0 | 0 | 111.2 | ||||
| 159 | K | 38.9 | Very low | 65 | Low | 168 Ų | 168 | 85.9 Ų | 85.9 | 73% | 0.73 | 45% | 0.449 | S | S | * | . | trans | -135.1 | 111.9 | 159.6 | -74.8 | -167.3 | 177 | -176.1 | 0 | 109.6 | A157 D161 | A157-K159 PolarHBondContact O-N 2.8Å; K159-D161 PolarHBondContact O-N 3.41Å; K159-D161 VanDerWaalsContact O-N 3.16Å | ||
| 160 | T | 37.8 | Very low | 65.2 | Low | 139 Ų | 139 | 80.4 Ų | 80.4 | 85% | 0.853 | 42% | 0.423 | S | S | * | . | trans | -77.3 | 20.8 | 173.8 | 48.5 | 0 | 0 | 0 | 0 | 112.9 | C162 | T160-C162 PolarHBondContact O-N 2.93Š| ||
| 161 | D | 38.9 | Very low | 65.6 | Low | 90 Ų | 90 | 75.3 Ų | 75.3 | 48% | 0.481 | 40% | 0.401 | S | S | . | . | trans | -87.8 | 103.1 | -170.5 | -93.5 | -29 | 0 | 0 | 0 | 111.4 | K159 Q163 | K159-D161 PolarHBondContact O-N 3.41Å; K159-D161 VanDerWaalsContact O-N 3.16Å; D161-Q163 HydrophobicContact CB-CB 4.08Å; D161-Q163 HydrophobicContact CB-CG 3.74Å; D161-Q163 PolarHBondContact O-N 3.19Å; D161-Q163 PolarHBondContact OD1-NE2 3.24Å; D161-Q163 PolarHBondContact OD2-NE2 3.46Å | ||
| 162 | C | 38 | Very low | 66 | Low | 59 Ų | 59 | 72.9 Ų | 72.9 | 40% | 0.399 | 39% | 0.39 | S | S | . | . | trans | -57.1 | 17.5 | 163.2 | -64 | 0 | 0 | 0 | 0 | 113.8 | T160 K164 | T160-C162 PolarHBondContact O-N 2.93Å; C162-K164 PolarHBondContact O-N 3.09Å | ||
| 163 | Q | 45.4 | Very low | 66.4 | Low | 84 Ų | 84 | 67.9 Ų | 67.9 | 39% | 0.393 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 18 | -162.5 | -60.9 | -174.5 | 9.9 | 0 | 0 | 114.8 | G13 D161 | G13-Q163 VanDerWaalsContact CA-O 3.22Å; G13-Q163 WeakPolarHBondContact CA-O 3.37Å; D161-Q163 HydrophobicContact CB-CB 4.08Å; D161-Q163 HydrophobicContact CB-CG 3.74Å; D161-Q163 PolarHBondContact O-N 3.19Å; D161-Q163 PolarHBondContact OD1-NE2 3.24Å; D161-Q163 PolarHBondContact OD2-NE2 3.46Å |
| 164 | K | 49.7 | Very low | 66.9 | Low | 115 Ų | 115 | 60.1 Ų | 60.1 | 50% | 0.5 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.5 | -4.1 | -180 | -67.7 | -179.8 | -172.2 | 159.9 | 0 | 115.3 | E154 C162 | E154-K164 IonicContact OE1-NZ 2.74Å; E154-K164 IonicContact OE2-NZ 3.45Å; E154-K164 PolarHBondContact OE2-NZ 3.45Å; C162-K164 PolarHBondContact O-N 3.09Å |
| 165 | N | 53.6 | Low | 67.7 | Low | 26 Ų | 26 | 56.6 Ų | 56.6 | 14% | 0.139 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -118.1 | 142.3 | -170.6 | -61.6 | -32.1 | 0 | 0 | 0 | 111.5 | A12 G167 V190 | A12-N165 WeakPolarHBondContact CA-O 3.36Å; A12-N165 WeakPolarHBondContact CB-O 3.42Å; N165-G167 PolarHBondContact O-N 3.46Å; N165-V190 WeakPolarHBondContact ND2-CG1 3.35Å |
| 166 | L | 63.3 | Low | 69.3 | Low | 3 Ų | 3 | 53.2 Ų | 53.2 | 2% | 0.016 | 31% | 0.308 | C | S | . | . | trans | -58.2 | 127.7 | 154.3 | -78.4 | 134.7 | 0 | 0 | 0 | 107.7 | G9 I15 V23 E60 F61 N62 P284 | G9-L166 WeakPolarHBondContact O-CD2 3.32Å; I15-L166 HydrophobicContact CD1-CD2 3.84Å; I15-L166 HydrophobicContact CD1-CG 4.29Å; V23-L166 HydrophobicContact CG1-CD2 4.41Å; V23-L166 HydrophobicContact CG2-CD1 4.16Å; E60-L166 WeakPolarHBondContact O-CD1 3.09Å; F61-L166 HydrophobicContact CD1-CD2 4.28Å; F61-L166 HydrophobicContact CE1-CD2 4.41Å; N62-L166 WeakPolarHBondContact CB-O 3.14Å; N62-L166 PolarHBondContact ND2-O 2.91Å; L166-P284 HydrophobicContact CD2-CG 3.53Å | ||
| 167 | G | 81.9 | Confident | 71.6 | Confident | 13 Ų | 13 | 57.1 Ų | 57.1 | 13% | 0.134 | 30% | 0.3 | C | S | . | . | trans | -80.2 | -154.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | N165 | N165-G167 PolarHBondContact O-N 3.46Š| ||
| 168 | T | 94.9 | Very high | 74.2 | Confident | 7 Ų | 7 | 54.7 Ų | 54.7 | 4% | 0.043 | 28% | 0.282 | C | S | . | . | trans | -58.5 | 139.4 | 174.5 | -64.1 | 0 | 0 | 0 | 0 | 112 | H8 G10 T184 S185 T186 S200 T219 | H8-T168 PolarHBondContact CE1-O 2.89Å; H8-T168 PolarHBondContact ND1-O 3.15Å; G10-T168 WeakPolarHBondContact CA-O 3.43Å; G10-T168 PolarHBondContact N-O 3.44Å; T168-T184 HydrophobicContact CG2-CG2 3.21Å; T168-S185 WeakPolarHBondContact CG2-O 3.28Å; T168-T186 WeakPolarHBondContact OG1-CB 3.47Å; T168-T186 PolarHBondContact OG1-OG1 3.45Å; T168-S200 VanDerWaalsContact CG2-OG 3.27Å; T168-S200 WeakPolarHBondContact CG2-OG 3.33Å; T168-S200 PolarHBondContact OG1-OG 2.76Å; T168-T219 PolarHBondContact N-OG1 3.36Å; T168-T219 PolarHBondContact O-OG1 3.24Å | ||
| 169 | V | 98.3 | Very high | 77.4 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 153.4 | 170.7 | -52.3 | 0 | 0 | 0 | 0 | 110.1 | H8 V52 L55 F61 A63 T184 S185 | H8-V169 VanDerWaalsContact CE1-C 3.49Å; H8-V169 WeakPolarHBondContact O-CA 3.44Å; V52-V169 HydrophobicContact CG1-CG2 4.17Å; L55-V169 HydrophobicContact CB-CB 4.06Å; L55-V169 HydrophobicContact CB-CG1 4.1Å; L55-V169 HydrophobicContact CB-CG2 3.98Å; L55-V169 HydrophobicContact CD1-CB 3.83Å; L55-V169 HydrophobicContact CD1-CG1 4.35Å; L55-V169 HydrophobicContact CD1-CG2 4.36Å; F61-V169 HydrophobicContact CB-CG1 3.69Å; F61-V169 HydrophobicContact CD1-CG1 4.23Å; F61-V169 HydrophobicContact CG-CG1 4.14Å; A63-V169 HydrophobicContact CB-CB 4.44Å; A63-V169 HydrophobicContact CB-CG1 4.1Å; A63-V169 HydrophobicContact CB-CG2 3.51Å; V169-T184 WeakPolarHBondContact O-CA 3.33Å; V169-S185 WeakPolarHBondContact CG2-O 3.45Å; V169-S185 PolarHBondContact N-O 2.85Å; V169-S185 PolarHBondContact O-N 3.35Å |
| 170 | G | 98.7 | Very high | 80.3 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -169.4 | 165.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | V7 H8 A183 S217 | V7-G170 CarbonylContact C-O 3.46Å; V7-G170 VanDerWaalsContact CA-O 3.26Å; V7-G170 WeakPolarHBondContact CA-O 3.37Å; H8-G170 PolarHBondContact CE1-N 2.83Å; H8-G170 VanDerWaalsContact CE1-N 3.3Å; H8-G170 PolarHBondContact N-O 3.08Å; H8-G170 PolarHBondContact ND1-N 2.71Å; H8-G170 PolarHBondContact O-N 2.94Å; H8-G170 VanDerWaalsContact O-N 3.07Å; G170-A183 CarbonylContact C-O 3.53Å; G170-A183 WeakPolarHBondContact CA-O 3.39Å; G170-S217 WeakPolarHBondContact CA-OG 3.49Å |
| 171 | A | 98.9 | Very high | 83.2 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 146.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | V6 V7 V48 A51 V52 Y182 A183 | V6-A171 CarbonylContact O-C 3.5Å; V6-A171 VanDerWaalsContact O-CA 3.25Å; V6-A171 WeakPolarHBondContact O-CA 3.28Å; V7-A171 HydrophobicContact CG1-CB 3.96Å; V48-A171 HydrophobicContact CB-CB 3.98Å; V48-A171 HydrophobicContact CG1-CB 4.06Å; A51-A171 HydrophobicContact CB-CB 3.9Å; V52-A171 HydrophobicContact CG2-CB 3.94Å; A171-Y182 CarbonylContact O-C 3.45Å; A171-Y182 VanDerWaalsContact O-CA 3.26Å; A171-Y182 WeakPolarHBondContact O-CA 3.39Å; A171-A183 PolarHBondContact N-O 2.77Å; A171-A183 PolarHBondContact O-N 2.89Å |
| 172 | V | 99 | Very high | 86 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 144.5 | 166 | -64 | 0 | 0 | 0 | 0 | 108.7 | V5 V6 A181 A215 I266 V268 | V5-V172 WeakPolarHBondContact CA-O 3.43Å; V6-V172 HydrophobicContact CB-CG2 3.8Å; V6-V172 HydrophobicContact CG2-CG2 4.28Å; V6-V172 PolarHBondContact N-O 3.22Å; V6-V172 PolarHBondContact O-N 3.21Å; V172-A181 WeakPolarHBondContact CA-O 3.36Å; V172-A215 HydrophobicContact CB-CB 4.15Å; V172-A215 HydrophobicContact CG1-CB 4.09Å; V172-I266 HydrophobicContact CG1-CD1 4.33Å; V172-I266 HydrophobicContact CG1-CG1 4.01Å; V172-I266 HydrophobicContact CG2-CB 4.32Å; V172-I266 HydrophobicContact CG2-CD1 4.02Å; V172-I266 HydrophobicContact CG2-CG1 3.86Å; V172-V268 HydrophobicContact CB-CG1 3.88Å; V172-V268 HydrophobicContact CG2-CB 4.11Å; V172-V268 HydrophobicContact CG2-CG1 3.92Å |
| 173 | A | 98.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 157.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I4 V5 L38 A44 A47 V48 V180 A181 | I4-A173 CarbonylContact O-C 3.6Å; I4-A173 VanDerWaalsContact O-CA 3.23Å; I4-A173 WeakPolarHBondContact O-CA 3.41Å; V5-A173 HydrophobicContact CB-CB 4.43Å; V5-A173 HydrophobicContact CG2-CB 4.38Å; L38-A173 HydrophobicContact CD1-CB 4.25Å; A44-A173 HydrophobicContact CB-CB 4.23Å; A47-A173 HydrophobicContact CB-CB 4.16Å; V48-A173 HydrophobicContact CG1-CB 3.57Å; A173-V180 WeakPolarHBondContact O-CA 3.22Å; A173-A181 PolarHBondContact N-O 3.35Å; A173-A181 PolarHBondContact O-N 3.43Å; A173-A181 VanDerWaalsContact O-N 3.08Å |
| 174 | L | 98.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 124.2 | 168 | 176.7 | 70.2 | 0 | 0 | 0 | 107.8 | M1 P3 I4 N179 V180 V268 | M1-L174 HydrophobicContact CG-CD2 4.12Å; M1-L174 HydrophobicContact SD-CD1 3.57Å; M1-L174 VanDerWaalsContact SD-CD1 3.57Å; M1-L174 HydrophobicContact SD-CD2 3.44Å; M1-L174 WeakPolarHBondContact SD-CD2 3.33Å; M1-L174 HydrophobicContact SD-CG 3.62Å; P3-L174 WeakPolarHBondContact CA-O 3.49Å; I4-L174 HydrophobicContact CG2-CB 3.73Å; I4-L174 HydrophobicContact CG2-CD2 4.24Å; I4-L174 PolarHBondContact N-O 2.77Å; I4-L174 PolarHBondContact O-N 2.95Å; L174-N179 WeakPolarHBondContact CA-O 3.39Å; L174-V180 HydrophobicContact CB-CG1 4.27Å; L174-V180 HydrophobicContact CD1-CG1 3.43Å; L174-V180 VanDerWaalsContact CD1-CG1 3.43Å; L174-V180 HydrophobicContact CG-CG1 4.44Å; L174-V268 HydrophobicContact CB-CG2 3.99Å; L174-V268 HydrophobicContact CD2-CG2 4.47Å |
| 175 | D | 98.7 | Very high | 93.8 | Very high | 2 Ų | 2 | 15.2 Ų | 15.2 | 1% | 0.011 | 8% | 0.084 | C | C | . | . | trans | -89.8 | 172.6 | -178.5 | 75 | 21.3 | 0 | 0 | 0 | 113.6 | L38 A44 K177 G178 N179 | L38-D175 HydrophobicContact CD2-CB 3.9Å; A44-D175 HydrophobicContact CB-CB 4.09Å; A44-D175 PolarHBondContact N-OD2 2.87Å; D175-K177 PolarHBondContact O-N 3.18Å; D175-K177 VanDerWaalsContact O-N 3.16Å; D175-K177 VanDerWaalsContact OD1-CA 3.28Å; D175-K177 WeakPolarHBondContact OD1-CA 3.27Å; D175-K177 VanDerWaalsContact OD1-CB 3.3Å; D175-K177 WeakPolarHBondContact OD1-CB 3.36Å; D175-K177 PolarHBondContact OD1-N 2.74Å; D175-G178 PolarHBondContact O-N 3.37Å; D175-G178 PolarHBondContact OD1-N 2.89Å; D175-N179 PolarHBondContact N-O 3.43Å; D175-N179 PolarHBondContact OD1-N 3.16Å; D175-N179 PolarHBondContact OD1-ND2 3.21Å; D175-N179 PolarHBondContact OD2-ND2 3.01Å | ||
| 176 | C | 97.3 | Very high | 95.9 | Very high | 60 Ų | 60 | 14.1 Ų | 14.1 | 41% | 0.405 | 8% | 0.078 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -21.5 | -179.6 | -65.6 | 0 | 0 | 0 | 0 | 113.6 | M1 | M1-C176 PolarHBondContact N-O 3.31Š|
| 177 | K | 97.8 | Very high | 97.5 | Very high | 166 Ų | 166 | 14 Ų | 14 | 72% | 0.722 | 8% | 0.078 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -6.9 | 178.8 | -59.8 | 172.7 | -176.2 | 166.5 | 0 | 112.2 | D175 | D175-K177 PolarHBondContact O-N 3.18Å; D175-K177 VanDerWaalsContact O-N 3.16Å; D175-K177 VanDerWaalsContact OD1-CA 3.28Å; D175-K177 WeakPolarHBondContact OD1-CA 3.27Å; D175-K177 VanDerWaalsContact OD1-CB 3.3Å; D175-K177 WeakPolarHBondContact OD1-CB 3.36Å; D175-K177 PolarHBondContact OD1-N 2.74Å |
| 178 | G | 98 | Very high | 98.1 | Very high | 15 Ų | 15 | 13.7 Ų | 13.7 | 16% | 0.155 | 8% | 0.075 | C | C | . | . | S | Bend | trans | 85.9 | 18.2 | 180 | 0 | 0 | 0 | 0 | 0 | 114.5 | M1 D175 | M1-G178 VanDerWaalsContact SD-CA 3.54Å; D175-G178 PolarHBondContact O-N 3.37Å; D175-G178 PolarHBondContact OD1-N 2.89Å |
| 179 | N | 98.8 | Very high | 98.1 | Very high | 27 Ų | 27 | 16.1 Ų | 16.1 | 14% | 0.144 | 9% | 0.087 | C | C | . | . | trans | -87 | 142.4 | 171.1 | -47.7 | -66.7 | 0 | 0 | 0 | 110.4 | A44 K85 L174 D175 N211 | A44-N179 WeakPolarHBondContact CB-O 3.38Å; K85-N179 HydrophobicContact CB-CB 4.48Å; L174-N179 WeakPolarHBondContact CA-O 3.39Å; D175-N179 PolarHBondContact N-O 3.43Å; D175-N179 PolarHBondContact OD1-N 3.16Å; D175-N179 PolarHBondContact OD1-ND2 3.21Å; D175-N179 PolarHBondContact OD2-ND2 3.01Å; N179-N211 VanDerWaalsContact CA-OD1 3.3Å; N179-N211 WeakPolarHBondContact CA-OD1 3.46Å; N179-N211 PolarHBondContact OD1-ND2 3.43Å | ||
| 180 | V | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 153.1 | 172.3 | -62.9 | 0 | 0 | 0 | 0 | 111.2 | G84 A173 L174 A209 D210 N211 A215 V268 | G84-V180 WeakPolarHBondContact CA-O 3.26Å; G84-V180 PolarHBondContact N-O 3.31Å; A173-V180 WeakPolarHBondContact O-CA 3.22Å; L174-V180 HydrophobicContact CB-CG1 4.27Å; L174-V180 HydrophobicContact CD1-CG1 3.43Å; L174-V180 VanDerWaalsContact CD1-CG1 3.43Å; L174-V180 HydrophobicContact CG-CG1 4.44Å; V180-A209 HydrophobicContact CG2-CB 4.32Å; V180-D210 WeakPolarHBondContact CG2-O 3.02Å; V180-N211 PolarHBondContact N-OD1 2.88Å; V180-A215 HydrophobicContact CB-CB 3.94Å; V180-A215 HydrophobicContact CG2-CB 4.19Å; V180-V268 HydrophobicContact CG1-CG1 4.43Å |
| 181 | A | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 161.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | A44 V45 V48 M82 V172 A173 A215 | A44-A181 HydrophobicContact CB-CB 3.71Å; V45-A181 HydrophobicContact CG2-CB 3.96Å; V48-A181 HydrophobicContact CG1-CB 4.33Å; V48-A181 HydrophobicContact CG2-CB 3.88Å; M82-A181 VanDerWaalsContact O-CA 3.31Å; M82-A181 WeakPolarHBondContact O-CA 3.14Å; M82-A181 WeakPolarHBondContact O-CB 3.29Å; V172-A181 WeakPolarHBondContact CA-O 3.36Å; A173-A181 PolarHBondContact N-O 3.35Å; A173-A181 PolarHBondContact O-N 3.43Å; A173-A181 VanDerWaalsContact O-N 3.08Å; A181-A215 WeakPolarHBondContact O-CB 3.43Å |
| 182 | Y | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 154.6 | 166.1 | 90.1 | -89.1 | 0 | 0 | 0 | 110.9 | S80 I81 M82 A171 T184 L203 G207 Y208 A209 | S80-Y182 WeakPolarHBondContact CB-OH 3.16Å; S80-Y182 WeakPolarHBondContact OG-CE2 2.91Å; S80-Y182 PolarHBondContact OG-OH 2.77Å; I81-Y182 WeakPolarHBondContact CA-O 3.45Å; I81-Y182 WeakPolarHBondContact CG1-O 3.45Å; M82-Y182 HydrophobicContact CB-CD1 3.62Å; M82-Y182 HydrophobicContact CB-CE1 3.26Å; M82-Y182 HydrophobicContact CG-CE1 4.24Å; M82-Y182 PolarHBondContact N-O 3.27Å; M82-Y182 VanDerWaalsContact N-O 3.12Å; M82-Y182 PolarHBondContact O-N 2.88Å; M82-Y182 HydrophobicContact SD-CE1 4.07Å; A171-Y182 CarbonylContact O-C 3.45Å; A171-Y182 VanDerWaalsContact O-CA 3.26Å; A171-Y182 WeakPolarHBondContact O-CA 3.39Å; Y182-T184 WeakPolarHBondContact CD2-OG1 3.32Å; Y182-T184 WeakPolarHBondContact CE2-OG1 3.32Å; Y182-L203 WeakPolarHBondContact OH-CD2 3.37Å; Y182-G207 VanDerWaalsContact CE2-CA 3.48Å; Y182-Y208 VanDerWaalsContact CD1-CA 3.5Å; Y182-Y208 VanDerWaalsContact CD1-N 3.3Å; Y182-A209 HydrophobicContact CD1-CB 3.96Å |
| 183 | A | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 137.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | V48 V52 S80 I81 I102 G170 A171 | V48-A183 HydrophobicContact CB-CB 3.68Å; V48-A183 HydrophobicContact CG2-CB 3.71Å; V52-A183 HydrophobicContact CB-CB 4.28Å; V52-A183 HydrophobicContact CG2-CB 3.62Å; S80-A183 CarbonylContact O-C 3.37Å; S80-A183 WeakPolarHBondContact O-CA 3.22Å; I81-A183 HydrophobicContact CD1-CB 4.42Å; I81-A183 HydrophobicContact CG1-CB 4.25Å; I102-A183 HydrophobicContact CD1-CB 3.67Å; I102-A183 HydrophobicContact CG1-CB 3.94Å; G170-A183 CarbonylContact C-O 3.53Å; G170-A183 WeakPolarHBondContact CA-O 3.39Å; A171-A183 PolarHBondContact N-O 2.77Å; A171-A183 PolarHBondContact O-N 2.89Å |
| 184 | T | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 134.7 | -178.9 | -56 | 0 | 0 | 0 | 0 | 109.3 | A79 S80 T168 V169 Y182 G206 S217 | A79-T184 CarbonylContact C-O 3.57Å; A79-T184 WeakPolarHBondContact CA-O 3.45Å; A79-T184 WeakPolarHBondContact CB-O 3.36Å; S80-T184 PolarHBondContact N-O 3.02Å; S80-T184 PolarHBondContact O-N 3.06Å; T168-T184 HydrophobicContact CG2-CG2 3.21Å; V169-T184 WeakPolarHBondContact O-CA 3.33Å; Y182-T184 WeakPolarHBondContact CD2-OG1 3.32Å; Y182-T184 WeakPolarHBondContact CE2-OG1 3.32Å; T184-G206 PolarHBondContact OG1-O 3.2Å; T184-S217 PolarHBondContact OG1-OG 3.02Å; T184-S217 VanDerWaalsContact OG1-OG 3.05Å |
| 185 | S | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 144.4 | 179.4 | -174.5 | 0 | 0 | 0 | 0 | 111.8 | E56 D78 T168 V169 | E56-S185 VanDerWaalsContact OE1-CB 3.23Å; E56-S185 WeakPolarHBondContact OE1-CB 3.25Å; E56-S185 PolarHBondContact OE1-OG 3.37Å; D78-S185 CarbonylContact O-C 3.53Å; D78-S185 WeakPolarHBondContact O-CA 3.45Å; T168-S185 WeakPolarHBondContact CG2-O 3.28Å; V169-S185 WeakPolarHBondContact CG2-O 3.45Å; V169-S185 PolarHBondContact N-O 2.85Å; V169-S185 PolarHBondContact O-N 3.35Å |
| 186 | T | 97.7 | Very high | 97.2 | Very high | 3 Ų | 3 | 31.6 Ų | 31.6 | 2% | 0.018 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 147.6 | -176.4 | -164.1 | 0 | 0 | 0 | 0 | 113.6 | N62 M77 D78 T168 G188 S200 | N62-T186 CarbonylContact O-C 3.09Å; N62-T186 WeakPolarHBondContact O-CA 3.48Å; M77-T186 VanDerWaalsContact CA-O 3.26Å; M77-T186 WeakPolarHBondContact CA-O 3.36Å; D78-T186 HydrophobicContact CB-CG2 3.95Å; D78-T186 PolarHBondContact N-O 2.9Å; D78-T186 PolarHBondContact O-N 3Å; T168-T186 WeakPolarHBondContact OG1-CB 3.47Å; T168-T186 PolarHBondContact OG1-OG1 3.45Å; T186-G188 VanDerWaalsContact C-N 3.28Å; T186-G188 PolarHBondContact OG1-N 3.38Å; T186-S200 VanDerWaalsContact CG2-OG 3.27Å; T186-S200 WeakPolarHBondContact CG2-OG 3.28Å |
| 187 | G | 96.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -82.3 | -3.9 | 159.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | N62 V68 K192 | N62-G187 PolarHBondContact O-N 2.95Å; N62-G187 WeakPolarHBondContact OD1-CA 3.47Å; V68-G187 VanDerWaalsContact CG2-O 3.26Å; V68-G187 WeakPolarHBondContact CG2-O 3.41Å; G187-K192 PolarHBondContact O-NZ 3.34Å | ||
| 188 | G | 95.1 | Very high | 97.1 | Very high | 8 Ų | 8 | 23.2 Ų | 23.2 | 8% | 0.082 | 14% | 0.137 | C | C | . | . | trans | 79.5 | -140.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | N62 V68 T186 | N62-G188 PolarHBondContact ND2-O 2.98Å; V68-G188 WeakPolarHBondContact CG2-O 3.43Å; T186-G188 VanDerWaalsContact C-N 3.28Å; T186-G188 PolarHBondContact OG1-N 3.38Å | ||
| 189 | I | 93.8 | Very high | 97.1 | Very high | 57 Ų | 57 | 22.6 Ų | 22.6 | 29% | 0.292 | 13% | 0.131 | S | C | . | . | S | Bend | trans | -110.2 | 146.1 | -179.3 | 66.1 | -179 | 0 | 0 | 0 | 111.2 | V68 K192 | V68-I189 VanDerWaalsContact CG2-C 3.46Å; I189-K192 HydrophobicContact CG1-CB 3.75Å; I189-K192 WeakPolarHBondContact O-CB 3.49Å; I189-K192 WeakPolarHBondContact O-CG 3.31Å; I189-K192 PolarHBondContact O-N 2.88Å |
| 190 | V | 93.6 | Very high | 97.1 | Very high | 18 Ų | 18 | 21.4 Ų | 21.4 | 11% | 0.109 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | 139.6 | 178.6 | 63.5 | 0 | 0 | 0 | 0 | 110.7 | V68 R147 E151 N165 K192 | V68-V190 HydrophobicContact CB-CB 4.28Å; V68-V190 HydrophobicContact CG1-CB 4.35Å; R147-V190 HydrophobicContact CB-CG2 4.39Å; E151-V190 HydrophobicContact CB-CG1 4.48Å; E151-V190 HydrophobicContact CB-CG2 4.24Å; E151-V190 HydrophobicContact CG-CG1 4.08Å; E151-V190 HydrophobicContact CG-CG2 4.5Å; N165-V190 WeakPolarHBondContact ND2-CG1 3.35Å; V190-K192 PolarHBondContact O-N 2.93Å |
| 191 | N | 94.1 | Very high | 97.1 | Very high | 12 Ų | 12 | 21.4 Ų | 21.4 | 6% | 0.064 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 26.4 | 178.1 | -159.7 | 27.9 | 0 | 0 | 0 | 113.5 | L69 L148 E151 K155 | L69-N191 PolarHBondContact O-N 2.92Å; L148-N191 HydrophobicContact CD1-CB 3.74Å; E151-N191 HydrophobicContact CB-CB 4.21Å; E151-N191 HydrophobicContact CG-CB 3.63Å; K155-N191 VanDerWaalsContact CE-ND2 3.29Å; K155-N191 WeakPolarHBondContact CE-ND2 3.49Å; K155-N191 PolarHBondContact NZ-ND2 3.49Å |
| 192 | K | 95 | Very high | 97 | Very high | 6 Ų | 6 | 23.2 Ų | 23.2 | 3% | 0.026 | 14% | 0.137 | C | C | . | . | P | Polyproline II helix | trans | -60.4 | 152.3 | 170.6 | 67.5 | -175.5 | -176.2 | -169.6 | 0 | 110.9 | N70 T71 E76 G187 I189 V190 R196 | N70-K192 CarbonylContact C-O 3.53Å; N70-K192 WeakPolarHBondContact CA-O 3.25Å; N70-K192 HydrophobicContact CB-CG 3.87Å; N70-K192 WeakPolarHBondContact CB-O 3.26Å; T71-K192 WeakPolarHBondContact CG2-O 3.3Å; T71-K192 PolarHBondContact N-O 3.07Å; E76-K192 PolarHBondContact O-NZ 3.18Å; G187-K192 PolarHBondContact O-NZ 3.34Å; I189-K192 HydrophobicContact CG1-CB 3.75Å; I189-K192 WeakPolarHBondContact O-CB 3.49Å; I189-K192 WeakPolarHBondContact O-CG 3.31Å; I189-K192 PolarHBondContact O-N 2.88Å; V190-K192 PolarHBondContact O-N 2.93Å; K192-R196 HydrophobicContact CB-CB 4.06Å; K192-R196 HydrophobicContact CB-CG 4.34Å; K192-R196 HydrophobicContact CD-CB 4.34Å; K192-R196 HydrophobicContact CG-CB 4.41Å |
| 193 | M | 97.2 | Very high | 97 | Very high | 147 Ų | 147 | 26.1 Ų | 26.1 | 72% | 0.724 | 15% | 0.152 | S | C | * | . | P | Polyproline II helix | trans | -58.1 | 143.6 | 166.9 | -68 | 173.3 | 62.5 | 0 | 0 | 109.6 | G195 R196 | M193-G195 PolarHBondContact O-N 2.89Å; M193-R196 HydrophobicContact CB-CB 4.47Å; M193-R196 VanDerWaalsContact O-CB 3.23Å; M193-R196 WeakPolarHBondContact O-CB 3.34Å; M193-R196 PolarHBondContact O-N 3.35Å |
| 194 | V | 97.8 | Very high | 97 | Very high | 68 Ų | 68 | 26.4 Ų | 26.4 | 41% | 0.412 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | 133.3 | 168.4 | -175.3 | 0 | 0 | 0 | 0 | 108.9 | N72 E76 R196 | N72-V194 HydrophobicContact CB-CG2 4.43Å; E76-V194 WeakPolarHBondContact OE1-CG1 3.31Å; V194-R196 VanDerWaalsContact C-N 3.29Å; V194-R196 PolarHBondContact O-N 3.28Å |
| 195 | G | 97.2 | Very high | 97 | Very high | 41 Ų | 41 | 26.4 Ų | 26.4 | 42% | 0.423 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.6 | 6.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | E76 M193 V197 | E76-G195 PolarHBondContact OE1-N 3.02Å; E76-G195 PolarHBondContact OE2-N 3.09Å; M193-G195 PolarHBondContact O-N 2.89Å; G195-V197 PolarHBondContact O-N 2.98Å |
| 196 | R | 97.5 | Very high | 97 | Very high | 36 Ų | 36 | 26.4 Ų | 26.4 | 14% | 0.136 | 16% | 0.155 | C | C | . | . | trans | -67.2 | 118.1 | 171.6 | -179.5 | -78.1 | -171.1 | 178.7 | 0.1 | 109.2 | K192 M193 V194 E223 | K192-R196 HydrophobicContact CB-CB 4.06Å; K192-R196 HydrophobicContact CB-CG 4.34Å; K192-R196 HydrophobicContact CD-CB 4.34Å; K192-R196 HydrophobicContact CG-CB 4.41Å; M193-R196 HydrophobicContact CB-CB 4.47Å; M193-R196 VanDerWaalsContact O-CB 3.23Å; M193-R196 WeakPolarHBondContact O-CB 3.34Å; M193-R196 PolarHBondContact O-N 3.35Å; V194-R196 VanDerWaalsContact C-N 3.29Å; V194-R196 PolarHBondContact O-N 3.28Å; R196-E223 IonicContact CZ-OE1 2.78Å; R196-E223 VanDerWaalsContact CZ-OE1 3.25Å; R196-E223 IonicContact NE-OE1 3.41Å; R196-E223 PolarHBondContact NE-OE1 3.14Å; R196-E223 IonicContact NH2-OE1 3.21Å; R196-E223 PolarHBondContact NH2-OE1 3.49Å; R196-E223 IonicContact NH2-OE2 3.69Å; R196-E223 PolarHBondContact NH2-OE2 3.41Å | ||
| 197 | V | 98 | Very high | 97.1 | Very high | 49 Ų | 49 | 26.3 Ų | 26.3 | 30% | 0.297 | 15% | 0.154 | S | C | . | . | trans | -98.9 | 135.1 | 173.7 | -177.1 | 0 | 0 | 0 | 0 | 110.8 | G195 P201 | G195-V197 PolarHBondContact O-N 2.98Å; V197-P201 HydrophobicContact CG1-CG 3.41Å; V197-P201 VanDerWaalsContact CG1-CG 3.41Å | ||
| 198 | G | 95.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -89.7 | -163.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | D78 P201 | D78-G198 PolarHBondContact OD2-N 3.32Å; G198-P201 WeakPolarHBondContact O-CD 3.45Å | ||
| 199 | D | 97.7 | Very high | 97.3 | Very high | 3 Ų | 3 | 28.2 Ų | 28.2 | 2% | 0.016 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -71.8 | -30.2 | 170.6 | 57.5 | -61.9 | 0 | 0 | 0 | 113.2 | P201 C202 A205 G206 T218 G222 I225 L226 | D199-P201 VanDerWaalsContact C-CD 3.43Å; D199-C202 WeakPolarHBondContact O-CB 3.47Å; D199-C202 PolarHBondContact O-N 2.95Å; D199-A205 HydrophobicContact CB-CB 4.16Å; D199-G206 VanDerWaalsContact O-CA 3.24Å; D199-G206 WeakPolarHBondContact O-CA 3.44Å; D199-G206 PolarHBondContact O-N 3.14Å; D199-T218 PolarHBondContact OD2-OG1 2.98Å; D199-G222 WeakPolarHBondContact OD1-CA 3.24Å; D199-I225 HydrophobicContact CB-CB 3.83Å; D199-I225 HydrophobicContact CB-CG2 3.47Å; D199-I225 VanDerWaalsContact CB-CG2 3.47Å; D199-L226 HydrophobicContact CB-CD2 4.33Å; D199-L226 HydrophobicContact CB-CG 3.98Å |
| 200 | S | 98.3 | Very high | 97.6 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.007 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -37.3 | -168.9 | -56.9 | 0 | 0 | 0 | 0 | 116.3 | S80 T168 T186 | S80-S200 WeakPolarHBondContact CB-O 3.35Å; S80-S200 PolarHBondContact OG-O 3.06Å; T168-S200 VanDerWaalsContact CG2-OG 3.27Å; T168-S200 WeakPolarHBondContact CG2-OG 3.33Å; T168-S200 PolarHBondContact OG1-OG 2.76Å; T186-S200 VanDerWaalsContact CG2-OG 3.27Å; T186-S200 WeakPolarHBondContact CG2-OG 3.28Å |
| 201 | P | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -7 | 176.1 | 37.1 | -33.6 | 0 | 0 | 0 | 113 | D78 A91 V92 F116 V197 G198 D199 L203 | D78-P201 HydrophobicContact CB-CB 4.13Å; D78-P201 HydrophobicContact CB-CG 3.75Å; A91-P201 HydrophobicContact CB-CB 4.23Å; A91-P201 WeakPolarHBondContact CB-O 3.46Å; V92-P201 WeakPolarHBondContact O-CB 3.4Å; F116-P201 HydrophobicContact CE1-CB 3.7Å; F116-P201 HydrophobicContact CE1-CG 4.1Å; F116-P201 WeakPolarHBondContact CE1-O 3.33Å; F116-P201 HydrophobicContact CZ-CB 3.65Å; F116-P201 HydrophobicContact CZ-CG 3.87Å; V197-P201 HydrophobicContact CG1-CG 3.41Å; V197-P201 VanDerWaalsContact CG1-CG 3.41Å; G198-P201 WeakPolarHBondContact O-CD 3.45Å; D199-P201 VanDerWaalsContact C-CD 3.43Å; P201-L203 PolarHBondContact O-N 3.21Å |
| 202 | C | 98.6 | Very high | 98 | Very high | 39 Ų | 39 | 33 Ų | 33 | 26% | 0.264 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -88.4 | 109.1 | -177.4 | -64.7 | 0 | 0 | 0 | 0 | 110.8 | D199 G204 A205 G206 L226 | D199-C202 WeakPolarHBondContact O-CB 3.47Å; D199-C202 PolarHBondContact O-N 2.95Å; C202-G204 PolarHBondContact O-N 3.14Å; C202-A205 HydrophobicContact CB-CB 4.01Å; C202-A205 PolarHBondContact O-N 2.9Å; C202-G206 PolarHBondContact O-N 3.43Å; C202-L226 HydrophobicContact CB-CD2 3.81Å |
| 203 | L | 98.7 | Very high | 98.2 | Very high | 61 Ų | 61 | 33.1 Ų | 33.1 | 32% | 0.319 | 19% | 0.186 | S | C | . | . | B | Isolated β-bridge | trans | -55.2 | 130.8 | 174.8 | -50.7 | -177.6 | 0 | 0 | 0 | 110.5 | A89 Y182 P201 A205 | A89-L203 HydrophobicContact CB-CD1 3.48Å; A89-L203 VanDerWaalsContact CB-CD1 3.48Å; A89-L203 HydrophobicContact CB-CD2 3.96Å; A89-L203 HydrophobicContact CB-CG 4.38Å; Y182-L203 WeakPolarHBondContact OH-CD2 3.37Å; P201-L203 PolarHBondContact O-N 3.21Å; L203-A205 VanDerWaalsContact C-N 3.27Å; L203-A205 PolarHBondContact O-N 3.03Å |
| 204 | G | 98.7 | Very high | 98.3 | Very high | 5 Ų | 5 | 26.1 Ų | 26.1 | 5% | 0.052 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.5 | -16.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | C202 G207 N229 A231 R232 | C202-G204 PolarHBondContact O-N 3.14Å; G204-G207 PolarHBondContact N-O 3.47Å; G204-N229 CarbonylContact O-C 3.45Å; G204-N229 WeakPolarHBondContact O-CA 3.36Å; G204-N229 VanDerWaalsContact O-O 3.11Å; G204-A231 PolarHBondContact O-N 2.76Å; G204-R232 PolarHBondContact O-N 3.46Å |
| 205 | A | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.008 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -70.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | D199 C202 L203 G207 T218 I225 L226 A231 | D199-A205 HydrophobicContact CB-CB 4.16Å; C202-A205 HydrophobicContact CB-CB 4.01Å; C202-A205 PolarHBondContact O-N 2.9Å; L203-A205 VanDerWaalsContact C-N 3.27Å; L203-A205 PolarHBondContact O-N 3.03Å; A205-G207 VanDerWaalsContact C-N 3.29Å; A205-G207 PolarHBondContact O-N 2.92Å; A205-T218 WeakPolarHBondContact O-CG2 3.48Å; A205-T218 PolarHBondContact O-OG1 3.4Å; A205-I225 HydrophobicContact CB-CG2 4.25Å; A205-I225 WeakPolarHBondContact O-CG2 3.47Å; A205-L226 HydrophobicContact CB-CD2 3.93Å; A205-A231 WeakPolarHBondContact O-CB 3.28Å; A205-A231 PolarHBondContact O-N 3.21Å |
| 206 | G | 98.4 | Very high | 98.4 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -25.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | T184 D199 C202 T218 | T184-G206 PolarHBondContact OG1-O 3.2Å; D199-G206 VanDerWaalsContact O-CA 3.24Å; D199-G206 WeakPolarHBondContact O-CA 3.44Å; D199-G206 PolarHBondContact O-N 3.14Å; C202-G206 PolarHBondContact O-N 3.43Å; G206-T218 VanDerWaalsContact CA-OG1 3.26Å; G206-T218 WeakPolarHBondContact CA-OG1 3.37Å; G206-T218 PolarHBondContact O-N 2.92Å; G206-T218 PolarHBondContact O-OG1 2.89Å |
| 207 | G | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.8 | 170 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y182 G204 A205 V216 A231 | Y182-G207 VanDerWaalsContact CE2-CA 3.48Å; G204-G207 PolarHBondContact N-O 3.47Å; A205-G207 VanDerWaalsContact C-N 3.29Å; A205-G207 PolarHBondContact O-N 2.92Å; G207-V216 CarbonylContact C-O 3.58Å; G207-V216 WeakPolarHBondContact CA-O 3.34Å; G207-A231 VanDerWaalsContact CA-CB 3.5Å |
| 208 | Y | 98.9 | Very high | 98.5 | Very high | 48 Ų | 48 | 16.9 Ų | 16.9 | 19% | 0.188 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | 149.1 | 173.8 | -156.6 | -94 | 0 | 0 | 0 | 109.6 | M82 Y182 D210 A215 V216 L235 | M82-Y208 HydrophobicContact CE-CD2 4.48Å; M82-Y208 HydrophobicContact CE-CE1 4.16Å; M82-Y208 HydrophobicContact CE-CE2 4.03Å; M82-Y208 HydrophobicContact SD-CD2 4.05Å; M82-Y208 HydrophobicContact SD-CE2 4.15Å; M82-Y208 HydrophobicContact SD-CG 4.26Å; Y182-Y208 VanDerWaalsContact CD1-CA 3.5Å; Y182-Y208 VanDerWaalsContact CD1-N 3.3Å; Y208-D210 HydrophobicContact CE1-CB 4.23Å; Y208-A215 CarbonylContact O-C 3.53Å; Y208-A215 VanDerWaalsContact O-CA 3.26Å; Y208-A215 WeakPolarHBondContact O-CA 3.5Å; Y208-V216 PolarHBondContact N-O 3.04Å; Y208-V216 PolarHBondContact O-N 2.65Å; Y208-L235 HydrophobicContact CD1-CD1 3.56Å; Y208-L235 HydrophobicContact CG-CD1 4.13Å |
| 209 | A | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 135.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | M82 L87 V180 Y182 A215 | M82-A209 HydrophobicContact CB-CB 4.33Å; M82-A209 VanDerWaalsContact CE-O 3.31Å; M82-A209 WeakPolarHBondContact CE-O 3.16Å; M82-A209 HydrophobicContact CG-CB 4.28Å; L87-A209 WeakPolarHBondContact CD2-O 3.3Å; V180-A209 HydrophobicContact CG2-CB 4.32Å; Y182-A209 HydrophobicContact CD1-CB 3.96Å; A209-A215 HydrophobicContact CB-CB 3.84Å |
| 210 | D | 98.8 | Very high | 98.4 | Very high | 28 Ų | 28 | 17.8 Ų | 17.8 | 15% | 0.15 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 122 | 177.6 | -171.7 | -28.2 | 0 | 0 | 0 | 109.2 | L87 V180 Y208 D212 I213 G214 | L87-D210 HydrophobicContact CD2-CB 4.03Å; V180-D210 WeakPolarHBondContact CG2-O 3.02Å; Y208-D210 HydrophobicContact CE1-CB 4.23Å; D210-D212 PolarHBondContact O-N 3.21Å; D210-D212 VanDerWaalsContact O-N 3.14Å; D210-D212 WeakPolarHBondContact OD1-CB 3.44Å; D210-D212 PolarHBondContact OD1-N 3.36Å; D210-I213 HydrophobicContact CB-CD1 4.45Å; D210-I213 HydrophobicContact CB-CG1 4.41Å; D210-I213 CarbonylContact O-C 3.6Å; D210-I213 PolarHBondContact O-N 2.89Å; D210-G214 PolarHBondContact N-O 2.95Å; D210-G214 PolarHBondContact O-N 3.02Å |
| 211 | N | 98.7 | Very high | 98.1 | Very high | 37 Ų | 37 | 20.5 Ų | 20.5 | 20% | 0.198 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -24 | 179.7 | -81.8 | 9.2 | 0 | 0 | 0 | 113.3 | G84 K85 N179 V180 I213 K270 | G84-N211 VanDerWaalsContact C-OD1 3.24Å; G84-N211 WeakPolarHBondContact O-CB 3.49Å; G84-N211 PolarHBondContact O-N 3.44Å; G84-N211 PolarHBondContact O-OD1 3.08Å; K85-N211 WeakPolarHBondContact CA-ND2 3.34Å; K85-N211 PolarHBondContact N-OD1 2.79Å; N179-N211 VanDerWaalsContact CA-OD1 3.3Å; N179-N211 WeakPolarHBondContact CA-OD1 3.46Å; N179-N211 PolarHBondContact OD1-ND2 3.43Å; V180-N211 PolarHBondContact N-OD1 2.88Å; N211-I213 PolarHBondContact O-N 3.25Å; N211-K270 WeakPolarHBondContact O-CB 3.29Å |
| 212 | D | 98.3 | Very high | 97.9 | Very high | 123 Ų | 123 | 20.5 Ų | 20.5 | 66% | 0.658 | 11% | 0.113 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76 | -12.2 | 177.6 | -73.5 | -23.5 | 0 | 0 | 0 | 112.8 | D210 K270 | D210-D212 PolarHBondContact O-N 3.21Å; D210-D212 VanDerWaalsContact O-N 3.14Å; D210-D212 WeakPolarHBondContact OD1-CB 3.44Å; D210-D212 PolarHBondContact OD1-N 3.36Å; D212-K270 WeakPolarHBondContact O-CD 3.42Å; D212-K270 WeakPolarHBondContact O-CE 3.12Å; D212-K270 PolarHBondContact O-NZ 3.23Å |
| 213 | I | 98.6 | Very high | 97.8 | Very high | 9 Ų | 9 | 21.3 Ų | 21.3 | 5% | 0.046 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -133 | -64.1 | -172.9 | -43.9 | 174.3 | 0 | 0 | 0 | 112.1 | D210 N211 L235 I238 E239 K270 | D210-I213 HydrophobicContact CB-CD1 4.45Å; D210-I213 HydrophobicContact CB-CG1 4.41Å; D210-I213 CarbonylContact O-C 3.6Å; D210-I213 PolarHBondContact O-N 2.89Å; N211-I213 PolarHBondContact O-N 3.25Å; I213-L235 HydrophobicContact CB-CD2 4.44Å; I213-L235 HydrophobicContact CD1-CB 4.49Å; I213-L235 HydrophobicContact CG2-CB 4.03Å; I213-L235 HydrophobicContact CG2-CD2 3.9Å; I213-L235 HydrophobicContact CG2-CG 4.48Å; I213-L235 WeakPolarHBondContact CG2-O 3.43Å; I213-I238 HydrophobicContact CG2-CB 3.91Å; I213-I238 HydrophobicContact CG2-CG2 3.84Å; I213-E239 HydrophobicContact CD1-CB 4.27Å; I213-K270 PolarHBondContact O-N 3.11Å |
| 214 | G | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 155.9 | -172.1 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113 | D210 V268 | D210-G214 PolarHBondContact N-O 2.95Å; D210-G214 PolarHBondContact O-N 3.02Å; G214-V268 CarbonylContact C-O 3.55Å; G214-V268 WeakPolarHBondContact CA-O 3.43Å |
| 215 | A | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 146.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V172 V180 A181 Y208 A209 V267 V268 | V172-A215 HydrophobicContact CB-CB 4.15Å; V172-A215 HydrophobicContact CG1-CB 4.09Å; V180-A215 HydrophobicContact CB-CB 3.94Å; V180-A215 HydrophobicContact CG2-CB 4.19Å; A181-A215 WeakPolarHBondContact O-CB 3.43Å; Y208-A215 CarbonylContact O-C 3.53Å; Y208-A215 VanDerWaalsContact O-CA 3.26Å; Y208-A215 WeakPolarHBondContact O-CA 3.5Å; A209-A215 HydrophobicContact CB-CB 3.84Å; A215-V267 WeakPolarHBondContact O-CA 3.39Å; A215-V268 HydrophobicContact CB-CG1 3.99Å; A215-V268 PolarHBondContact N-O 3.13Å; A215-V268 PolarHBondContact O-N 3.1Å |
| 216 | V | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 140.1 | -179.3 | -178.9 | 0 | 0 | 0 | 0 | 109.9 | G207 Y208 T218 A231 T234 L235 L265 I266 V267 | G207-V216 CarbonylContact C-O 3.58Å; G207-V216 WeakPolarHBondContact CA-O 3.34Å; Y208-V216 PolarHBondContact N-O 3.04Å; Y208-V216 PolarHBondContact O-N 2.65Å; V216-T218 HydrophobicContact CG1-CG2 4.07Å; V216-A231 HydrophobicContact CB-CB 4.11Å; V216-A231 HydrophobicContact CG1-CB 3.94Å; V216-T234 HydrophobicContact CG2-CG2 4.11Å; V216-L235 HydrophobicContact CG2-CD1 4.48Å; V216-L235 HydrophobicContact CG2-CD2 3.59Å; V216-L235 HydrophobicContact CG2-CG 3.71Å; V216-L265 HydrophobicContact CG1-CB 4.29Å; V216-I266 WeakPolarHBondContact CA-O 3.27Å; V216-V267 HydrophobicContact CG2-CB 4.42Å; V216-V267 HydrophobicContact CG2-CG1 3.97Å; V216-V267 HydrophobicContact CG2-CG2 4.08Å |
| 217 | S | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 140.4 | 164.3 | 171.4 | 0 | 0 | 0 | 0 | 109.4 | H8 G170 T184 L265 I266 | H8-S217 PolarHBondContact NE2-OG 3.42Å; G170-S217 WeakPolarHBondContact CA-OG 3.49Å; T184-S217 PolarHBondContact OG1-OG 3.02Å; T184-S217 VanDerWaalsContact OG1-OG 3.05Å; S217-L265 VanDerWaalsContact O-CA 3.23Å; S217-L265 WeakPolarHBondContact O-CA 3.33Å; S217-L265 WeakPolarHBondContact O-CB 3.24Å; S217-I266 PolarHBondContact N-O 3.02Å; S217-I266 VanDerWaalsContact N-O 3.13Å; S217-I266 PolarHBondContact O-N 3.02Å |
| 218 | T | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 158.6 | -174.7 | 67.2 | 0 | 0 | 0 | 0 | 113.3 | D199 A205 G206 V216 L230 A231 L265 | D199-T218 PolarHBondContact OD2-OG1 2.98Å; A205-T218 WeakPolarHBondContact O-CG2 3.48Å; A205-T218 PolarHBondContact O-OG1 3.4Å; G206-T218 VanDerWaalsContact CA-OG1 3.26Å; G206-T218 WeakPolarHBondContact CA-OG1 3.37Å; G206-T218 PolarHBondContact O-N 2.92Å; G206-T218 PolarHBondContact O-OG1 2.89Å; V216-T218 HydrophobicContact CG1-CG2 4.07Å; T218-L230 HydrophobicContact CG2-CB 4.19Å; T218-L230 HydrophobicContact CG2-CD2 3.89Å; T218-L230 HydrophobicContact CG2-CG 4.03Å; T218-A231 HydrophobicContact CG2-CB 3.99Å; T218-L265 HydrophobicContact CG2-CB 4.15Å |
| 219 | T | 97.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 151.8 | 173.6 | 175.2 | 0 | 0 | 0 | 0 | 110.9 | G10 G11 T168 G263 G264 M283 | G10-T219 VanDerWaalsContact CA-OG1 3.26Å; G10-T219 WeakPolarHBondContact CA-OG1 3.26Å; G11-T219 PolarHBondContact N-OG1 3.45Å; T168-T219 PolarHBondContact N-OG1 3.36Å; T168-T219 PolarHBondContact O-OG1 3.24Å; T219-G263 CarbonylContact O-C 3.6Å; T219-G263 WeakPolarHBondContact O-CA 3.43Å; T219-G264 PolarHBondContact N-O 3.45Å; T219-G264 PolarHBondContact O-N 3.16Å; T219-G264 VanDerWaalsContact O-O 3.07Å; T219-M283 HydrophobicContact CG2-CG 4.38Å; T219-M283 HydrophobicContact CG2-SD 3.8Å |
| 220 | G | 94.3 | Very high | 97.6 | Very high | 22 Ų | 22 | 30.8 Ų | 30.8 | 23% | 0.227 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 135.9 | -139.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | G222 | G220-G222 PolarHBondContact O-N 3.07Å; G220-G222 VanDerWaalsContact O-N 3.11Å |
| 221 | H | 93.1 | Very high | 97.6 | Very high | 57 Ų | 57 | 29.4 Ų | 29.4 | 26% | 0.264 | 15% | 0.152 | S | C | . | . | trans | -76.2 | 96.6 | 178.8 | -177.4 | -133.2 | 0 | 0 | 0 | 111.3 | E223 S224 I225 L262 | H221-E223 VanDerWaalsContact C-N 3.32Å; H221-E223 IonicContact CD2-OE2 2.91Å; H221-E223 IonicContact NE2-OE2 3.67Å; H221-E223 PolarHBondContact O-N 2.9Å; H221-S224 PolarHBondContact CE1-OG 3.24Å; H221-S224 WeakPolarHBondContact ND1-CB 3.44Å; H221-S224 PolarHBondContact ND1-OG 2.94Å; H221-S224 WeakPolarHBondContact O-CB 3.4Å; H221-S224 PolarHBondContact O-N 3.16Å; H221-I225 WeakPolarHBondContact O-CG1 3.42Å; H221-I225 PolarHBondContact O-N 3.25Å; H221-L262 PolarHBondContact N-O 3.49Å | ||
| 222 | G | 94.5 | Very high | 97.6 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -56.3 | -38.6 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | D199 G220 S224 I225 L226 | D199-G222 WeakPolarHBondContact OD1-CA 3.24Å; G220-G222 PolarHBondContact O-N 3.07Å; G220-G222 VanDerWaalsContact O-N 3.11Å; G222-S224 VanDerWaalsContact C-N 3.26Å; G222-S224 PolarHBondContact O-N 3.14Å; G222-I225 PolarHBondContact O-N 2.67Å; G222-L226 WeakPolarHBondContact O-CB 3.44Å; G222-L226 WeakPolarHBondContact O-CG 3.45Å; G222-L226 PolarHBondContact O-N 3.33Å |
| 223 | E | 95.9 | Very high | 97.7 | Very high | 56 Ų | 56 | 27.1 Ų | 27.1 | 26% | 0.262 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -63.7 | -31.7 | 177 | -72.3 | 69.3 | -159.9 | 0 | 0 | 112.4 | R196 H221 K227 | R196-E223 IonicContact CZ-OE1 2.78Å; R196-E223 VanDerWaalsContact CZ-OE1 3.25Å; R196-E223 IonicContact NE-OE1 3.41Å; R196-E223 PolarHBondContact NE-OE1 3.14Å; R196-E223 IonicContact NH2-OE1 3.21Å; R196-E223 PolarHBondContact NH2-OE1 3.49Å; R196-E223 IonicContact NH2-OE2 3.69Å; R196-E223 PolarHBondContact NH2-OE2 3.41Å; H221-E223 VanDerWaalsContact C-N 3.32Å; H221-E223 IonicContact CD2-OE2 2.91Å; H221-E223 IonicContact NE2-OE2 3.67Å; H221-E223 PolarHBondContact O-N 2.9Å; E223-K227 VanDerWaalsContact O-CD 3.24Å; E223-K227 WeakPolarHBondContact O-CD 3.48Å; E223-K227 WeakPolarHBondContact O-CG 3.49Å; E223-K227 PolarHBondContact O-N 3.04Å |
| 224 | S | 96.6 | Very high | 97.7 | Very high | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.014 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -77.2 | -40.2 | 173.5 | -73.3 | 0 | 0 | 0 | 0 | 112 | H221 G222 K227 V228 G261 | H221-S224 PolarHBondContact CE1-OG 3.24Å; H221-S224 WeakPolarHBondContact ND1-CB 3.44Å; H221-S224 PolarHBondContact ND1-OG 2.94Å; H221-S224 WeakPolarHBondContact O-CB 3.4Å; H221-S224 PolarHBondContact O-N 3.16Å; G222-S224 VanDerWaalsContact C-N 3.26Å; G222-S224 PolarHBondContact O-N 3.14Å; S224-K227 PolarHBondContact O-N 3.42Å; S224-V228 WeakPolarHBondContact O-CG2 3Å; S224-V228 PolarHBondContact O-N 3.34Å; S224-G261 WeakPolarHBondContact OG-CA 3.14Å |
| 225 | I | 97.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.2 | -47 | 177.7 | -67.9 | 171.7 | 0 | 0 | 0 | 110.3 | D199 A205 H221 G222 K227 V228 N229 L230 M255 | D199-I225 HydrophobicContact CB-CB 3.83Å; D199-I225 HydrophobicContact CB-CG2 3.47Å; D199-I225 VanDerWaalsContact CB-CG2 3.47Å; A205-I225 HydrophobicContact CB-CG2 4.25Å; A205-I225 WeakPolarHBondContact O-CG2 3.47Å; H221-I225 WeakPolarHBondContact O-CG1 3.42Å; H221-I225 PolarHBondContact O-N 3.25Å; G222-I225 PolarHBondContact O-N 2.67Å; I225-K227 PolarHBondContact O-N 2.87Å; I225-V228 PolarHBondContact O-N 3.45Å; I225-N229 PolarHBondContact O-N 3.31Å; I225-L230 HydrophobicContact CG1-CD2 3.99Å; I225-L230 HydrophobicContact CG2-CB 3.87Å; I225-L230 HydrophobicContact CG2-CD2 4.49Å; I225-L230 PolarHBondContact O-N 3.35Å; I225-M255 HydrophobicContact CG1-SD 3.76Å |
| 226 | L | 98.3 | Very high | 97.7 | Very high | 57 Ų | 57 | 31 Ų | 31 | 30% | 0.298 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -55.6 | -48.8 | 174.2 | -78.3 | 168.9 | 0 | 0 | 0 | 112 | D199 C202 A205 G222 V228 N229 | D199-L226 HydrophobicContact CB-CD2 4.33Å; D199-L226 HydrophobicContact CB-CG 3.98Å; C202-L226 HydrophobicContact CB-CD2 3.81Å; A205-L226 HydrophobicContact CB-CD2 3.93Å; G222-L226 WeakPolarHBondContact O-CB 3.44Å; G222-L226 WeakPolarHBondContact O-CG 3.45Å; G222-L226 PolarHBondContact O-N 3.33Å; L226-V228 PolarHBondContact O-N 3.02Å; L226-V228 VanDerWaalsContact O-N 3.12Å; L226-N229 PolarHBondContact O-N 2.98Å |
| 227 | K | 98.4 | Very high | 97.7 | Very high | 151 Ų | 151 | 32.9 Ų | 32.9 | 66% | 0.657 | 16% | 0.159 | S | C | * | . | H | α-helix | trans | -63.7 | -20.4 | -175.4 | -75.9 | 169.2 | -171.4 | 173.1 | 0 | 114 | E223 S224 I225 V259 | E223-K227 VanDerWaalsContact O-CD 3.24Å; E223-K227 WeakPolarHBondContact O-CD 3.48Å; E223-K227 WeakPolarHBondContact O-CG 3.49Å; E223-K227 PolarHBondContact O-N 3.04Å; S224-K227 PolarHBondContact O-N 3.42Å; I225-K227 PolarHBondContact O-N 2.87Å; K227-V259 HydrophobicContact CB-CG1 4.22Å; K227-V259 HydrophobicContact CD-CG1 4.32Å |
| 228 | V | 98.4 | Very high | 97.7 | Very high | 13 Ų | 13 | 34 Ų | 34 | 8% | 0.079 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -116.4 | -0.4 | -177.9 | -53.9 | 0 | 0 | 0 | 0 | 113.7 | S224 I225 L226 L230 Y254 M255 V259 | S224-V228 WeakPolarHBondContact O-CG2 3Å; S224-V228 PolarHBondContact O-N 3.34Å; I225-V228 PolarHBondContact O-N 3.45Å; L226-V228 PolarHBondContact O-N 3.02Å; L226-V228 VanDerWaalsContact O-N 3.12Å; V228-L230 VanDerWaalsContact C-N 3.34Å; V228-L230 HydrophobicContact CG2-CB 4.03Å; V228-L230 HydrophobicContact CG2-CD1 4.37Å; V228-L230 PolarHBondContact O-N 2.96Å; V228-Y254 HydrophobicContact CB-CD1 4.06Å; V228-Y254 HydrophobicContact CB-CE1 3.97Å; V228-Y254 HydrophobicContact CG1-CD1 3.99Å; V228-Y254 HydrophobicContact CG1-CE1 3.75Å; V228-M255 HydrophobicContact CG2-CB 4.03Å; V228-M255 HydrophobicContact CG2-CG 4.02Å; V228-M255 HydrophobicContact CG2-SD 4.46Å; V228-V259 HydrophobicContact CG1-CG1 4.29Å; V228-V259 HydrophobicContact CG1-CG2 3.99Å |
| 229 | N | 98.6 | Very high | 97.7 | Very high | 90 Ų | 90 | 38.8 Ų | 38.8 | 48% | 0.481 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.4 | 55.2 | -173.4 | -63.1 | -48.3 | 0 | 0 | 0 | 111.7 | G204 I225 L226 A231 R232 L233 | G204-N229 CarbonylContact O-C 3.45Å; G204-N229 WeakPolarHBondContact O-CA 3.36Å; G204-N229 VanDerWaalsContact O-O 3.11Å; I225-N229 PolarHBondContact O-N 3.31Å; L226-N229 PolarHBondContact O-N 2.98Å; N229-A231 VanDerWaalsContact C-N 3.31Å; N229-A231 PolarHBondContact O-N 3.04Å; N229-R232 PolarHBondContact O-N 3.1Å; N229-L233 WeakPolarHBondContact O-CB 3.47Å; N229-L233 PolarHBondContact O-N 3.39Å |
| 230 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -52.9 | -44 | -164.8 | -175.4 | 63.6 | 0 | 0 | 0 | 113.5 | T218 I225 V228 T234 L252 M255 L265 | T218-L230 HydrophobicContact CG2-CB 4.19Å; T218-L230 HydrophobicContact CG2-CD2 3.89Å; T218-L230 HydrophobicContact CG2-CG 4.03Å; I225-L230 HydrophobicContact CG1-CD2 3.99Å; I225-L230 HydrophobicContact CG2-CB 3.87Å; I225-L230 HydrophobicContact CG2-CD2 4.49Å; I225-L230 PolarHBondContact O-N 3.35Å; V228-L230 VanDerWaalsContact C-N 3.34Å; V228-L230 HydrophobicContact CG2-CB 4.03Å; V228-L230 HydrophobicContact CG2-CD1 4.37Å; V228-L230 PolarHBondContact O-N 2.96Å; L230-T234 WeakPolarHBondContact O-CB 3.26Å; L230-T234 PolarHBondContact O-N 3.07Å; L230-T234 PolarHBondContact O-OG1 3.32Å; L230-L252 HydrophobicContact CD1-CD2 4.4Å; L230-L252 HydrophobicContact CD2-CD2 4.06Å; L230-M255 HydrophobicContact CD2-CE 4.32Å; L230-M255 HydrophobicContact CD2-SD 4.14Å; L230-L265 HydrophobicContact CD1-CD2 4.29Å; L230-L265 HydrophobicContact CD2-CD2 4.25Å; L230-L265 HydrophobicContact CG-CD2 4.12Å |
| 231 | A | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.9 | -51.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | G204 A205 G207 V216 T218 N229 L233 T234 L235 | G204-A231 PolarHBondContact O-N 2.76Å; A205-A231 WeakPolarHBondContact O-CB 3.28Å; A205-A231 PolarHBondContact O-N 3.21Å; G207-A231 VanDerWaalsContact CA-CB 3.5Å; V216-A231 HydrophobicContact CB-CB 4.11Å; V216-A231 HydrophobicContact CG1-CB 3.94Å; T218-A231 HydrophobicContact CG2-CB 3.99Å; N229-A231 VanDerWaalsContact C-N 3.31Å; N229-A231 PolarHBondContact O-N 3.04Å; A231-L233 VanDerWaalsContact C-N 3.35Å; A231-L233 PolarHBondContact O-N 3.37Å; A231-T234 WeakPolarHBondContact O-CB 3.43Å; A231-T234 PolarHBondContact O-N 3.46Å; A231-L235 PolarHBondContact O-N 2.77Å; A231-L235 VanDerWaalsContact O-N 3.09Å |
| 232 | R | 98.8 | Very high | 98.2 | Very high | 75 Ų | 75 | 47.8 Ų | 47.8 | 28% | 0.283 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -69.2 | -32.5 | -179.7 | -177.2 | 60 | -175 | 92.7 | -10.8 | 112.4 | G204 N229 T234 L235 F236 E239 | G204-R232 PolarHBondContact O-N 3.46Å; N229-R232 PolarHBondContact O-N 3.1Å; R232-T234 VanDerWaalsContact C-N 3.34Å; R232-L235 PolarHBondContact O-N 3.27Å; R232-F236 VanDerWaalsContact NH1-CA 3.3Å; R232-F236 VanDerWaalsContact NH1-CB 3.34Å; R232-F236 WeakPolarHBondContact O-CB 3.42Å; R232-F236 PolarHBondContact O-N 3.23Å; R232-E239 IonicContact CZ-OE2 2.71Å; R232-E239 IonicContact NH1-OE2 3.25Å; R232-E239 PolarHBondContact NH1-OE2 2.83Å; R232-E239 IonicContact NH2-OE2 2.76Å; R232-E239 PolarHBondContact NH2-OE2 3.11Å |
| 233 | L | 98.9 | Very high | 98.4 | Very high | 37 Ų | 37 | 51 Ų | 51 | 19% | 0.194 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.1 | -41.3 | 172.8 | 178.3 | 61.8 | 0 | 0 | 0 | 111.4 | N229 A231 F236 H237 Y254 | N229-L233 WeakPolarHBondContact O-CB 3.47Å; N229-L233 PolarHBondContact O-N 3.39Å; A231-L233 VanDerWaalsContact C-N 3.35Å; A231-L233 PolarHBondContact O-N 3.37Å; L233-F236 WeakPolarHBondContact O-CB 3.4Å; L233-F236 PolarHBondContact O-N 2.95Å; L233-H237 PolarHBondContact O-CD2 3.36Å; L233-H237 VanDerWaalsContact O-CD2 3.31Å; L233-H237 PolarHBondContact O-N 3.18Å; L233-H237 VanDerWaalsContact O-N 3.09Å; L233-Y254 HydrophobicContact CD2-CD1 3.65Å; L233-Y254 HydrophobicContact CD2-CE1 4.32Å; L233-Y254 HydrophobicContact CD2-CG 4.3Å |
| 234 | T | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62 | -49.4 | 175.9 | -55.6 | 0 | 0 | 0 | 0 | 110.7 | V216 L230 A231 R232 F236 H237 I238 A247 S251 L265 V267 | V216-T234 HydrophobicContact CG2-CG2 4.11Å; L230-T234 WeakPolarHBondContact O-CB 3.26Å; L230-T234 PolarHBondContact O-N 3.07Å; L230-T234 PolarHBondContact O-OG1 3.32Å; A231-T234 WeakPolarHBondContact O-CB 3.43Å; A231-T234 PolarHBondContact O-N 3.46Å; R232-T234 VanDerWaalsContact C-N 3.34Å; T234-F236 VanDerWaalsContact C-N 3.28Å; T234-F236 PolarHBondContact O-N 3.48Å; T234-H237 PolarHBondContact O-N 3.06Å; T234-I238 PolarHBondContact O-N 3.31Å; T234-A247 HydrophobicContact CG2-CB 4.16Å; T234-S251 VanDerWaalsContact CA-OG 3.25Å; T234-S251 WeakPolarHBondContact CA-OG 3.3Å; T234-S251 PolarHBondContact N-OG 2.88Å; T234-S251 VanDerWaalsContact OG1-CB 3.29Å; T234-S251 WeakPolarHBondContact OG1-CB 3.16Å; T234-S251 PolarHBondContact OG1-OG 2.77Å; T234-L265 HydrophobicContact CG2-CD1 4.46Å; T234-L265 HydrophobicContact CG2-CD2 4.4Å; T234-V267 HydrophobicContact CG2-CG2 3.93Å |
| 235 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.8 | -34.3 | 175.4 | -69.6 | -176.1 | 0 | 0 | 0 | 112.7 | Y208 I213 V216 A231 R232 H237 I238 E239 | Y208-L235 HydrophobicContact CD1-CD1 3.56Å; Y208-L235 HydrophobicContact CG-CD1 4.13Å; I213-L235 HydrophobicContact CB-CD2 4.44Å; I213-L235 HydrophobicContact CD1-CB 4.49Å; I213-L235 HydrophobicContact CG2-CB 4.03Å; I213-L235 HydrophobicContact CG2-CD2 3.9Å; I213-L235 HydrophobicContact CG2-CG 4.48Å; I213-L235 WeakPolarHBondContact CG2-O 3.43Å; V216-L235 HydrophobicContact CG2-CD1 4.48Å; V216-L235 HydrophobicContact CG2-CD2 3.59Å; V216-L235 HydrophobicContact CG2-CG 3.71Å; A231-L235 PolarHBondContact O-N 2.77Å; A231-L235 VanDerWaalsContact O-N 3.09Å; R232-L235 PolarHBondContact O-N 3.27Å; L235-H237 VanDerWaalsContact C-N 3.32Å; L235-H237 PolarHBondContact O-N 3.02Å; L235-I238 HydrophobicContact CD2-CD1 4.16Å; L235-I238 PolarHBondContact O-N 3.35Å; L235-E239 WeakPolarHBondContact O-CB 3.4Å; L235-E239 PolarHBondContact O-N 2.95Å |
| 236 | F | 98.8 | Very high | 98.6 | Very high | 90 Ų | 90 | 56.4 Ų | 56.4 | 40% | 0.395 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.3 | -42.1 | 174.7 | -178.9 | -107.8 | 0 | 0 | 0 | 111.5 | R232 L233 T234 I238 E239 Q240 | R232-F236 VanDerWaalsContact NH1-CA 3.3Å; R232-F236 VanDerWaalsContact NH1-CB 3.34Å; R232-F236 WeakPolarHBondContact O-CB 3.42Å; R232-F236 PolarHBondContact O-N 3.23Å; L233-F236 WeakPolarHBondContact O-CB 3.4Å; L233-F236 PolarHBondContact O-N 2.95Å; T234-F236 VanDerWaalsContact C-N 3.28Å; T234-F236 PolarHBondContact O-N 3.48Å; F236-I238 VanDerWaalsContact C-N 3.32Å; F236-I238 PolarHBondContact O-N 3.27Å; F236-E239 WeakPolarHBondContact O-CB 3.2Å; F236-E239 PolarHBondContact O-N 3.09Å; F236-Q240 HydrophobicContact CD1-CG 4.27Å; F236-Q240 HydrophobicContact CE1-CG 3.85Å; F236-Q240 HydrophobicContact CE2-CG 4.21Å; F236-Q240 HydrophobicContact CZ-CG 3.83Å; F236-Q240 VanDerWaalsContact O-CG 3.32Å; F236-Q240 WeakPolarHBondContact O-CG 3.45Å; F236-Q240 PolarHBondContact O-N 2.98Å |
| 237 | H | 98.9 | Very high | 98.7 | Very high | 39 Ų | 39 | 53.7 Ų | 53.7 | 18% | 0.181 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.8 | -38.8 | 175.9 | -76.3 | -57.3 | 0 | 0 | 0 | 112.7 | L233 T234 L235 Q240 G241 K242 A247 S251 | L233-H237 PolarHBondContact O-CD2 3.36Å; L233-H237 VanDerWaalsContact O-CD2 3.31Å; L233-H237 PolarHBondContact O-N 3.18Å; L233-H237 VanDerWaalsContact O-N 3.09Å; T234-H237 PolarHBondContact O-N 3.06Å; L235-H237 VanDerWaalsContact C-N 3.32Å; L235-H237 PolarHBondContact O-N 3.02Å; H237-Q240 CarbonylContact O-C 3.42Å; H237-Q240 PolarHBondContact O-N 3.42Å; H237-G241 PolarHBondContact O-N 3.22Å; H237-K242 HydrophobicContact CB-CB 4.27Å; H237-K242 HydrophobicContact CB-CG 4.19Å; H237-K242 WeakPolarHBondContact O-CB 3.39Å; H237-K242 VanDerWaalsContact O-CG 3.29Å; H237-K242 WeakPolarHBondContact O-CG 3.44Å; H237-K242 PolarHBondContact O-N 3.04Å; H237-K242 VanDerWaalsContact O-N 3.09Å; H237-A247 HydrophobicContact CB-CB 3.6Å; H237-S251 PolarHBondContact CD2-OG 3.01Å |
| 238 | I | 98.8 | Very high | 98.7 | Very high | 25 Ų | 25 | 46.5 Ų | 46.5 | 13% | 0.128 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.1 | -43.2 | 174.9 | -61.2 | 172.8 | 0 | 0 | 0 | 110.7 | I213 T234 L235 F236 Q240 G241 V244 A247 V267 | I213-I238 HydrophobicContact CG2-CB 3.91Å; I213-I238 HydrophobicContact CG2-CG2 3.84Å; T234-I238 PolarHBondContact O-N 3.31Å; L235-I238 HydrophobicContact CD2-CD1 4.16Å; L235-I238 PolarHBondContact O-N 3.35Å; F236-I238 VanDerWaalsContact C-N 3.32Å; F236-I238 PolarHBondContact O-N 3.27Å; I238-Q240 PolarHBondContact O-N 2.87Å; I238-G241 WeakPolarHBondContact O-CA 3.35Å; I238-G241 PolarHBondContact O-N 3.37Å; I238-V244 HydrophobicContact CD1-CG1 3.98Å; I238-A247 HydrophobicContact CD1-CB 4.3Å; I238-A247 HydrophobicContact CG1-CB 3.56Å; I238-V267 HydrophobicContact CD1-CG1 3.76Å |
| 239 | E | 98 | Very high | 98.7 | Very high | 100 Ų | 100 | 49.7 Ų | 49.7 | 47% | 0.467 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -58.4 | -32.4 | 173.9 | -176.4 | 176.9 | -153.7 | 0 | 0 | 112.1 | I213 R232 L235 F236 G241 | I213-E239 HydrophobicContact CD1-CB 4.27Å; R232-E239 IonicContact CZ-OE2 2.71Å; R232-E239 IonicContact NH1-OE2 3.25Å; R232-E239 PolarHBondContact NH1-OE2 2.83Å; R232-E239 IonicContact NH2-OE2 2.76Å; R232-E239 PolarHBondContact NH2-OE2 3.11Å; L235-E239 WeakPolarHBondContact O-CB 3.4Å; L235-E239 PolarHBondContact O-N 2.95Å; F236-E239 WeakPolarHBondContact O-CB 3.2Å; F236-E239 PolarHBondContact O-N 3.09Å; E239-G241 PolarHBondContact O-N 3.25Å |
| 240 | Q | 98.5 | Very high | 98.7 | Very high | 115 Ų | 115 | 49.2 Ų | 49.2 | 54% | 0.537 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | 11.9 | 172.4 | -59.1 | -47.3 | -68.7 | 0 | 0 | 114.2 | F236 H237 I238 | F236-Q240 HydrophobicContact CD1-CG 4.27Å; F236-Q240 HydrophobicContact CE1-CG 3.85Å; F236-Q240 HydrophobicContact CE2-CG 4.21Å; F236-Q240 HydrophobicContact CZ-CG 3.83Å; F236-Q240 VanDerWaalsContact O-CG 3.32Å; F236-Q240 WeakPolarHBondContact O-CG 3.45Å; F236-Q240 PolarHBondContact O-N 2.98Å; H237-Q240 CarbonylContact O-C 3.42Å; H237-Q240 PolarHBondContact O-N 3.42Å; I238-Q240 PolarHBondContact O-N 2.87Å |
| 241 | G | 98.1 | Very high | 98.7 | Very high | 67 Ų | 67 | 49.2 Ų | 49.2 | 69% | 0.691 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.6 | 15.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | H237 I238 E239 | H237-G241 PolarHBondContact O-N 3.22Å; I238-G241 WeakPolarHBondContact O-CA 3.35Å; I238-G241 PolarHBondContact O-N 3.37Å; E239-G241 PolarHBondContact O-N 3.25Å |
| 242 | K | 98.7 | Very high | 98.6 | Very high | 86 Ų | 86 | 49.4 Ų | 49.4 | 37% | 0.374 | 26% | 0.255 | S | S | . | . | trans | -79.2 | 150.4 | 172.4 | -59.5 | -58.4 | -176.6 | -177.9 | 0 | 111.5 | H237 E246 A247 L250 | H237-K242 HydrophobicContact CB-CB 4.27Å; H237-K242 HydrophobicContact CB-CG 4.19Å; H237-K242 WeakPolarHBondContact O-CB 3.39Å; H237-K242 VanDerWaalsContact O-CG 3.29Å; H237-K242 WeakPolarHBondContact O-CG 3.44Å; H237-K242 PolarHBondContact O-N 3.04Å; H237-K242 VanDerWaalsContact O-N 3.09Å; K242-E246 WeakPolarHBondContact CA-OE2 3.33Å; K242-E246 HydrophobicContact CB-CB 3.98Å; K242-E246 HydrophobicContact CD-CB 4.39Å; K242-E246 WeakPolarHBondContact CD-OE2 3.26Å; K242-A247 HydrophobicContact CB-CB 4.4Å; K242-L250 HydrophobicContact CG-CD1 4.29Å | ||
| 243 | T | 98.7 | Very high | 98.6 | Very high | 69 Ų | 69 | 47.5 Ų | 47.5 | 42% | 0.423 | 26% | 0.258 | S | S | . | . | trans | -67.3 | 164.8 | 169.1 | 82.5 | 0 | 0 | 0 | 0 | 110.6 | E245 E246 A247 | T243-E245 WeakPolarHBondContact CB-OE2 3.36Å; T243-E245 PolarHBondContact O-N 3.23Å; T243-E245 PolarHBondContact OG1-N 3.11Å; T243-E245 PolarHBondContact OG1-OE2 2.98Å; T243-E246 PolarHBondContact N-OE2 2.87Å; T243-E246 PolarHBondContact O-N 3.18Å; T243-E246 PolarHBondContact OG1-N 2.88Å; T243-A247 VanDerWaalsContact O-CB 3.26Å; T243-A247 WeakPolarHBondContact O-CB 3.24Å; T243-A247 PolarHBondContact O-N 2.94Å | ||
| 244 | V | 98.6 | Very high | 98.6 | Very high | 6 Ų | 6 | 51 Ų | 51 | 4% | 0.036 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.7 | -36.2 | 176.6 | -67.1 | 0 | 0 | 0 | 0 | 111.7 | I238 A248 V267 D273 V275 | I238-V244 HydrophobicContact CD1-CG1 3.98Å; V244-A248 VanDerWaalsContact O-CB 3.25Å; V244-A248 WeakPolarHBondContact O-CB 3.37Å; V244-A248 PolarHBondContact O-N 3.1Å; V244-V267 HydrophobicContact CB-CB 4.47Å; V244-V267 HydrophobicContact CB-CG1 4.27Å; V244-V267 HydrophobicContact CG1-CG1 3.95Å; V244-D273 HydrophobicContact CG1-CB 4.37Å; V244-D273 HydrophobicContact CG2-CB 4.2Å; V244-V275 HydrophobicContact CB-CB 4.46Å; V244-V275 HydrophobicContact CB-CG1 4.18Å; V244-V275 HydrophobicContact CG2-CB 4.09Å; V244-V275 HydrophobicContact CG2-CG1 4.35Å |
| 245 | E | 98.6 | Very high | 98.5 | Very high | 78 Ų | 78 | 51 Ų | 51 | 36% | 0.364 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -67.6 | -49.6 | 176.2 | -59.1 | 74.7 | -166.8 | 0 | 0 | 111.8 | T243 A247 A248 D249 V275 | T243-E245 WeakPolarHBondContact CB-OE2 3.36Å; T243-E245 PolarHBondContact O-N 3.23Å; T243-E245 PolarHBondContact OG1-N 3.11Å; T243-E245 PolarHBondContact OG1-OE2 2.98Å; E245-A247 VanDerWaalsContact C-N 3.32Å; E245-A247 PolarHBondContact O-N 3.08Å; E245-A248 PolarHBondContact O-N 3.02Å; E245-D249 WeakPolarHBondContact O-CB 3.34Å; E245-D249 PolarHBondContact O-N 2.89Å; E245-V275 HydrophobicContact CG-CB 4.45Å; E245-V275 HydrophobicContact CG-CG2 3.9Å |
| 246 | E | 98.7 | Very high | 98.4 | Very high | 86 Ų | 86 | 56.2 Ų | 56.2 | 40% | 0.402 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.5 | -43.9 | 178.2 | -71.4 | -177.4 | 132 | 0 | 0 | 111.1 | K242 T243 D249 L250 | K242-E246 WeakPolarHBondContact CA-OE2 3.33Å; K242-E246 HydrophobicContact CB-CB 3.98Å; K242-E246 HydrophobicContact CD-CB 4.39Å; K242-E246 WeakPolarHBondContact CD-OE2 3.26Å; T243-E246 PolarHBondContact N-OE2 2.87Å; T243-E246 PolarHBondContact O-N 3.18Å; T243-E246 PolarHBondContact OG1-N 2.88Å; E246-D249 PolarHBondContact O-N 3.02Å; E246-L250 VanDerWaalsContact O-CB 3.3Å; E246-L250 WeakPolarHBondContact O-CB 3.45Å; E246-L250 WeakPolarHBondContact O-CG 3.44Å; E246-L250 PolarHBondContact O-N 2.94Å |
| 247 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.4 | -43.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | T234 H237 I238 K242 T243 E245 S251 | T234-A247 HydrophobicContact CG2-CB 4.16Å; H237-A247 HydrophobicContact CB-CB 3.6Å; I238-A247 HydrophobicContact CD1-CB 4.3Å; I238-A247 HydrophobicContact CG1-CB 3.56Å; K242-A247 HydrophobicContact CB-CB 4.4Å; T243-A247 VanDerWaalsContact O-CB 3.26Å; T243-A247 WeakPolarHBondContact O-CB 3.24Å; T243-A247 PolarHBondContact O-N 2.94Å; E245-A247 VanDerWaalsContact C-N 3.32Å; E245-A247 PolarHBondContact O-N 3.08Å; A247-S251 VanDerWaalsContact O-CB 3.31Å; A247-S251 WeakPolarHBondContact O-CB 3.26Å; A247-S251 PolarHBondContact O-N 2.76Å; A247-S251 PolarHBondContact O-OG 2.78Å |
| 248 | A | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.6 | -49.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V244 E245 S251 L252 L265 V275 K277 | V244-A248 VanDerWaalsContact O-CB 3.25Å; V244-A248 WeakPolarHBondContact O-CB 3.37Å; V244-A248 PolarHBondContact O-N 3.1Å; E245-A248 PolarHBondContact O-N 3.02Å; A248-S251 PolarHBondContact O-N 2.76Å; A248-L252 WeakPolarHBondContact O-CB 3.2Å; A248-L252 WeakPolarHBondContact O-CG 3.33Å; A248-L252 PolarHBondContact O-N 2.7Å; A248-L265 HydrophobicContact CB-CD1 3.72Å; A248-V275 HydrophobicContact CB-CG1 3.88Å; A248-K277 HydrophobicContact CB-CB 3.94Å; A248-K277 HydrophobicContact CB-CG 3.78Å |
| 249 | D | 98.6 | Very high | 98.3 | Very high | 81 Ų | 81 | 62.6 Ų | 62.6 | 43% | 0.433 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.8 | -41.3 | -177.6 | -70.9 | -19.7 | 0 | 0 | 0 | 111.5 | E245 E246 G253 K277 | E245-D249 WeakPolarHBondContact O-CB 3.34Å; E245-D249 PolarHBondContact O-N 2.89Å; E246-D249 PolarHBondContact O-N 3.02Å; D249-G253 WeakPolarHBondContact O-CA 3.42Å; D249-G253 PolarHBondContact O-N 3.11Å; D249-K277 VanDerWaalsContact CG-NZ 3.27Å; D249-K277 IonicContact OD1-NZ 3.22Å; D249-K277 PolarHBondContact OD1-NZ 3.03Å; D249-K277 IonicContact OD2-NZ 2.76Å; D249-K277 PolarHBondContact OD2-NZ 2.9Å |
| 250 | L | 98.8 | Very high | 98.1 | Very high | 80 Ų | 80 | 65.9 Ų | 65.9 | 42% | 0.419 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.3 | -46 | 175.1 | -74.4 | 170.3 | 0 | 0 | 0 | 112 | K242 E246 G253 Y254 | K242-L250 HydrophobicContact CG-CD1 4.29Å; E246-L250 VanDerWaalsContact O-CB 3.3Å; E246-L250 WeakPolarHBondContact O-CB 3.45Å; E246-L250 WeakPolarHBondContact O-CG 3.44Å; E246-L250 PolarHBondContact O-N 2.94Å; L250-G253 PolarHBondContact O-N 3.38Å; L250-Y254 WeakPolarHBondContact O-CB 3.2Å; L250-Y254 PolarHBondContact O-N 3.34Å |
| 251 | S | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -70 | -45.7 | -175.5 | -54.9 | 0 | 0 | 0 | 0 | 112.1 | T234 H237 A247 A248 Y254 M255 | T234-S251 VanDerWaalsContact CA-OG 3.25Å; T234-S251 WeakPolarHBondContact CA-OG 3.3Å; T234-S251 PolarHBondContact N-OG 2.88Å; T234-S251 VanDerWaalsContact OG1-CB 3.29Å; T234-S251 WeakPolarHBondContact OG1-CB 3.16Å; T234-S251 PolarHBondContact OG1-OG 2.77Å; H237-S251 PolarHBondContact CD2-OG 3.01Å; A247-S251 VanDerWaalsContact O-CB 3.31Å; A247-S251 WeakPolarHBondContact O-CB 3.26Å; A247-S251 PolarHBondContact O-N 2.76Å; A247-S251 PolarHBondContact O-OG 2.78Å; A248-S251 PolarHBondContact O-N 2.76Å; S251-Y254 PolarHBondContact O-N 2.78Å; S251-M255 PolarHBondContact O-N 2.96Å |
| 252 | L | 98 | Very high | 97.6 | Very high | 4 Ų | 4 | 60.3 Ų | 60.3 | 2% | 0.021 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.3 | -40 | 174.8 | -70.3 | 171.7 | 0 | 0 | 0 | 111.4 | L230 A248 M255 K256 L265 K277 T279 | L230-L252 HydrophobicContact CD1-CD2 4.4Å; L230-L252 HydrophobicContact CD2-CD2 4.06Å; A248-L252 WeakPolarHBondContact O-CB 3.2Å; A248-L252 WeakPolarHBondContact O-CG 3.33Å; A248-L252 PolarHBondContact O-N 2.7Å; L252-M255 HydrophobicContact CD2-CE 4.13Å; L252-M255 PolarHBondContact O-N 3.11Å; L252-K256 WeakPolarHBondContact O-CB 3.49Å; L252-K256 PolarHBondContact O-N 3.24Å; L252-L265 HydrophobicContact CD1-CD2 4.33Å; L252-L265 HydrophobicContact CD1-CG 4.25Å; L252-L265 HydrophobicContact CD2-CD2 4.06Å; L252-L265 HydrophobicContact CD2-CG 4.44Å; L252-L265 HydrophobicContact CG-CD2 3.91Å; L252-L265 HydrophobicContact CG-CG 4.35Å; L252-K277 HydrophobicContact CD1-CB 3.79Å; L252-T279 HydrophobicContact CB-CG2 3.92Å; L252-T279 HydrophobicContact CD1-CG2 4.49Å |
| 253 | G | 98.3 | Very high | 97.4 | Very high | 35 Ų | 35 | 56.3 Ų | 56.3 | 36% | 0.361 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.1 | -40.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | D249 L250 K256 S257 | D249-G253 WeakPolarHBondContact O-CA 3.42Å; D249-G253 PolarHBondContact O-N 3.11Å; L250-G253 PolarHBondContact O-N 3.38Å; G253-K256 PolarHBondContact O-N 3.3Å; G253-S257 WeakPolarHBondContact O-CB 3.46Å; G253-S257 PolarHBondContact O-N 3.19Å; G253-S257 PolarHBondContact O-OG 2.87Å |
| 254 | Y | 98.7 | Very high | 97.3 | Very high | 110 Ų | 110 | 53 Ų | 53 | 43% | 0.431 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.4 | -49.3 | 173.9 | -180 | -106 | 0 | 0 | 0 | 111.5 | V228 L233 L250 S251 K256 S257 R258 | V228-Y254 HydrophobicContact CB-CD1 4.06Å; V228-Y254 HydrophobicContact CB-CE1 3.97Å; V228-Y254 HydrophobicContact CG1-CD1 3.99Å; V228-Y254 HydrophobicContact CG1-CE1 3.75Å; L233-Y254 HydrophobicContact CD2-CD1 3.65Å; L233-Y254 HydrophobicContact CD2-CE1 4.32Å; L233-Y254 HydrophobicContact CD2-CG 4.3Å; L250-Y254 WeakPolarHBondContact O-CB 3.2Å; L250-Y254 PolarHBondContact O-N 3.34Å; S251-Y254 PolarHBondContact O-N 2.78Å; Y254-K256 VanDerWaalsContact C-N 3.35Å; Y254-K256 PolarHBondContact O-N 3.12Å; Y254-S257 PolarHBondContact O-N 3.11Å; Y254-S257 PolarHBondContact O-OG 2.9Å; Y254-S257 VanDerWaalsContact O-OG 3.06Å; Y254-R258 HydrophobicContact CD2-CB 4.4Å; Y254-R258 HydrophobicContact CE1-CB 4.43Å; Y254-R258 HydrophobicContact CE1-CG 4.43Å; Y254-R258 HydrophobicContact CE2-CB 4.12Å; Y254-R258 HydrophobicContact CE2-CG 4.24Å; Y254-R258 WeakPolarHBondContact O-CB 3.44Å; Y254-R258 PolarHBondContact O-N 3.3Å |
| 255 | M | 97.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -56.7 | -47.6 | 176.7 | -172.8 | -179 | 61.2 | 0 | 0 | 112 | I225 V228 L230 S251 L252 V259 K260 G261 | I225-M255 HydrophobicContact CG1-SD 3.76Å; V228-M255 HydrophobicContact CG2-CB 4.03Å; V228-M255 HydrophobicContact CG2-CG 4.02Å; V228-M255 HydrophobicContact CG2-SD 4.46Å; L230-M255 HydrophobicContact CD2-CE 4.32Å; L230-M255 HydrophobicContact CD2-SD 4.14Å; S251-M255 PolarHBondContact O-N 2.96Å; L252-M255 HydrophobicContact CD2-CE 4.13Å; L252-M255 PolarHBondContact O-N 3.11Å; M255-V259 HydrophobicContact CG-CG2 3.84Å; M255-V259 WeakPolarHBondContact O-CG2 3.49Å; M255-V259 PolarHBondContact O-N 3.28Å; M255-K260 PolarHBondContact O-N 3.42Å; M255-G261 PolarHBondContact O-N 2.99Å |
| 256 | K | 96.4 | Very high | 97.3 | Very high | 110 Ų | 110 | 49 Ų | 49 | 48% | 0.478 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.9 | -44.9 | 179.5 | -176 | 175 | -179.2 | 175.6 | 0 | 112.1 | L252 G253 Y254 K260 G261 L262 | L252-K256 WeakPolarHBondContact O-CB 3.49Å; L252-K256 PolarHBondContact O-N 3.24Å; G253-K256 PolarHBondContact O-N 3.3Å; Y254-K256 VanDerWaalsContact C-N 3.35Å; Y254-K256 PolarHBondContact O-N 3.12Å; K256-K260 VanDerWaalsContact O-CA 3.26Å; K256-K260 WeakPolarHBondContact O-CA 3.26Å; K256-K260 PolarHBondContact O-N 3.37Å; K256-G261 VanDerWaalsContact CA-O 3.3Å; K256-G261 WeakPolarHBondContact CA-O 3.4Å; K256-L262 HydrophobicContact CD-CD2 4.13Å; K256-L262 HydrophobicContact CG-CD2 4.21Å |
| 257 | S | 97.9 | Very high | 97.3 | Very high | 73 Ų | 73 | 44.9 Ų | 44.9 | 51% | 0.51 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -72.1 | -45.7 | -177.4 | 59.9 | 0 | 0 | 0 | 0 | 112.3 | G253 Y254 K260 | G253-S257 WeakPolarHBondContact O-CB 3.46Å; G253-S257 PolarHBondContact O-N 3.19Å; G253-S257 PolarHBondContact O-OG 2.87Å; Y254-S257 PolarHBondContact O-N 3.11Å; Y254-S257 PolarHBondContact O-OG 2.9Å; Y254-S257 VanDerWaalsContact O-OG 3.06Å; S257-K260 PolarHBondContact O-NZ 3.39Å |
| 258 | R | 98.2 | Very high | 97.3 | Very high | 174 Ų | 174 | 44.9 Ų | 44.9 | 66% | 0.657 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -79.6 | -44 | -170.7 | -176.2 | 59.6 | 178.3 | 149.7 | -0.2 | 113.9 | Y254 | Y254-R258 HydrophobicContact CD2-CB 4.4Å; Y254-R258 HydrophobicContact CE1-CB 4.43Å; Y254-R258 HydrophobicContact CE1-CG 4.43Å; Y254-R258 HydrophobicContact CE2-CB 4.12Å; Y254-R258 HydrophobicContact CE2-CG 4.24Å; Y254-R258 WeakPolarHBondContact O-CB 3.44Å; Y254-R258 PolarHBondContact O-N 3.3Å |
| 259 | V | 96.5 | Very high | 97.3 | Very high | 40 Ų | 40 | 45.2 Ų | 45.2 | 24% | 0.242 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -122.9 | 8.3 | -173.5 | -61.6 | 0 | 0 | 0 | 0 | 113.6 | K227 V228 M255 G261 | K227-V259 HydrophobicContact CB-CG1 4.22Å; K227-V259 HydrophobicContact CD-CG1 4.32Å; V228-V259 HydrophobicContact CG1-CG1 4.29Å; V228-V259 HydrophobicContact CG1-CG2 3.99Å; M255-V259 HydrophobicContact CG-CG2 3.84Å; M255-V259 WeakPolarHBondContact O-CG2 3.49Å; M255-V259 PolarHBondContact O-N 3.28Å; V259-G261 PolarHBondContact O-N 2.98Å; V259-G261 VanDerWaalsContact O-N 3.1Å |
| 260 | K | 95.2 | Very high | 97.2 | Very high | 170 Ų | 170 | 46.2 Ų | 46.2 | 74% | 0.739 | 22% | 0.224 | S | C | * | . | trans | 56 | 25.3 | -179.9 | -50 | -52.3 | -176.5 | -160.3 | 0 | 113.6 | M255 K256 S257 | M255-K260 PolarHBondContact O-N 3.42Å; K256-K260 VanDerWaalsContact O-CA 3.26Å; K256-K260 WeakPolarHBondContact O-CA 3.26Å; K256-K260 PolarHBondContact O-N 3.37Å; S257-K260 PolarHBondContact O-NZ 3.39Å | ||
| 261 | G | 92.6 | Very high | 97.1 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | trans | -83 | 146.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S224 M255 K256 V259 | S224-G261 WeakPolarHBondContact OG-CA 3.14Å; M255-G261 PolarHBondContact O-N 2.99Å; K256-G261 VanDerWaalsContact CA-O 3.3Å; K256-G261 WeakPolarHBondContact CA-O 3.4Å; V259-G261 PolarHBondContact O-N 2.98Å; V259-G261 VanDerWaalsContact O-N 3.1Å | ||
| 262 | L | 93.6 | Very high | 97 | Very high | 64 Ų | 64 | 46.8 Ų | 46.8 | 34% | 0.335 | 23% | 0.231 | S | C | . | . | trans | -114.9 | 149.2 | 167.5 | -58.8 | 179 | 0 | 0 | 0 | 109.2 | H221 K256 | H221-L262 PolarHBondContact N-O 3.49Å; K256-L262 HydrophobicContact CD-CD2 4.13Å; K256-L262 HydrophobicContact CG-CD2 4.21Å | ||
| 263 | G | 93.9 | Very high | 97 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 177.7 | -172.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112 | T219 W278 T279 | T219-G263 CarbonylContact O-C 3.6Å; T219-G263 WeakPolarHBondContact O-CA 3.43Å; G263-W278 CarbonylContact O-C 3.56Å; G263-W278 VanDerWaalsContact O-CA 3.32Å; G263-W278 WeakPolarHBondContact O-CA 2.77Å; G263-T279 PolarHBondContact N-OG1 2.79Å; G263-T279 PolarHBondContact O-N 2.89Å; G263-T279 PolarHBondContact O-OG1 3.22Å |
| 264 | G | 96.2 | Very high | 97 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 173.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | T219 K277 | T219-G264 PolarHBondContact N-O 3.45Å; T219-G264 PolarHBondContact O-N 3.16Å; T219-G264 VanDerWaalsContact O-O 3.07Å; G264-K277 CarbonylContact C-O 3.6Å; G264-K277 WeakPolarHBondContact CA-O 3.24Å |
| 265 | L | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 157.7 | -176.9 | 57.1 | 84.4 | 0 | 0 | 0 | 110.4 | V216 S217 T218 L230 T234 A248 L252 V267 K277 | V216-L265 HydrophobicContact CG1-CB 4.29Å; S217-L265 VanDerWaalsContact O-CA 3.23Å; S217-L265 WeakPolarHBondContact O-CA 3.33Å; S217-L265 WeakPolarHBondContact O-CB 3.24Å; T218-L265 HydrophobicContact CG2-CB 4.15Å; L230-L265 HydrophobicContact CD1-CD2 4.29Å; L230-L265 HydrophobicContact CD2-CD2 4.25Å; L230-L265 HydrophobicContact CG-CD2 4.12Å; T234-L265 HydrophobicContact CG2-CD1 4.46Å; T234-L265 HydrophobicContact CG2-CD2 4.4Å; A248-L265 HydrophobicContact CB-CD1 3.72Å; L252-L265 HydrophobicContact CD1-CD2 4.33Å; L252-L265 HydrophobicContact CD1-CG 4.25Å; L252-L265 HydrophobicContact CD2-CD2 4.06Å; L252-L265 HydrophobicContact CD2-CG 4.44Å; L252-L265 HydrophobicContact CG-CD2 3.91Å; L252-L265 HydrophobicContact CG-CG 4.35Å; L265-V267 HydrophobicContact CD1-CG2 3.33Å; L265-K277 PolarHBondContact N-O 2.93Å; L265-K277 PolarHBondContact O-N 3.44Å |
| 266 | I | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 143.3 | 166.8 | 61.5 | -175.5 | 0 | 0 | 0 | 108.5 | V6 H8 V172 V216 S217 V275 A276 M283 | V6-I266 HydrophobicContact CB-CB 4.37Å; V6-I266 HydrophobicContact CB-CD1 4.43Å; V6-I266 HydrophobicContact CG1-CB 3.8Å; V6-I266 HydrophobicContact CG1-CD1 4.37Å; V6-I266 HydrophobicContact CG1-CG2 3.76Å; V6-I266 VanDerWaalsContact O-CD1 3.3Å; V6-I266 WeakPolarHBondContact O-CD1 3.22Å; H8-I266 HydrophobicContact CB-CG2 3.99Å; V172-I266 HydrophobicContact CG1-CD1 4.33Å; V172-I266 HydrophobicContact CG1-CG1 4.01Å; V172-I266 HydrophobicContact CG2-CB 4.32Å; V172-I266 HydrophobicContact CG2-CD1 4.02Å; V172-I266 HydrophobicContact CG2-CG1 3.86Å; V216-I266 WeakPolarHBondContact CA-O 3.27Å; S217-I266 PolarHBondContact N-O 3.02Å; S217-I266 VanDerWaalsContact N-O 3.13Å; S217-I266 PolarHBondContact O-N 3.02Å; I266-V275 CarbonylContact C-O 3.53Å; I266-V275 WeakPolarHBondContact CA-O 3.17Å; I266-A276 HydrophobicContact CG2-CB 3.98Å; I266-M283 HydrophobicContact CG2-CE 4.42Å |
| 267 | V | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 142.7 | -178.4 | -169.6 | 0 | 0 | 0 | 0 | 109.5 | A215 V216 T234 I238 V244 L265 W274 V275 | A215-V267 WeakPolarHBondContact O-CA 3.39Å; V216-V267 HydrophobicContact CG2-CB 4.42Å; V216-V267 HydrophobicContact CG2-CG1 3.97Å; V216-V267 HydrophobicContact CG2-CG2 4.08Å; T234-V267 HydrophobicContact CG2-CG2 3.93Å; I238-V267 HydrophobicContact CD1-CG1 3.76Å; V244-V267 HydrophobicContact CB-CB 4.47Å; V244-V267 HydrophobicContact CB-CG1 4.27Å; V244-V267 HydrophobicContact CG1-CG1 3.95Å; L265-V267 HydrophobicContact CD1-CG2 3.33Å; V267-W274 CarbonylContact O-C 3.4Å; V267-W274 WeakPolarHBondContact O-CA 3.35Å; V267-W274 VanDerWaalsContact O-CB 3.24Å; V267-W274 WeakPolarHBondContact O-CB 3.38Å; V267-V275 HydrophobicContact CB-CG1 4.08Å; V267-V275 HydrophobicContact CG2-CG1 3.93Å; V267-V275 PolarHBondContact N-O 3.21Å; V267-V275 PolarHBondContact O-N 3.38Å |
| 268 | V | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 130.9 | 158.9 | 66.1 | 0 | 0 | 0 | 0 | 108.9 | I4 V172 L174 V180 G214 A215 D273 | I4-V268 HydrophobicContact CG2-CG2 3.6Å; V172-V268 HydrophobicContact CB-CG1 3.88Å; V172-V268 HydrophobicContact CG2-CB 4.11Å; V172-V268 HydrophobicContact CG2-CG1 3.92Å; L174-V268 HydrophobicContact CB-CG2 3.99Å; L174-V268 HydrophobicContact CD2-CG2 4.47Å; V180-V268 HydrophobicContact CG1-CG1 4.43Å; G214-V268 CarbonylContact C-O 3.55Å; G214-V268 WeakPolarHBondContact CA-O 3.43Å; A215-V268 HydrophobicContact CB-CG1 3.99Å; A215-V268 PolarHBondContact N-O 3.13Å; A215-V268 PolarHBondContact O-N 3.1Å; V268-D273 CarbonylContact C-O 3.57Å; V268-D273 WeakPolarHBondContact CA-O 3.16Å |
| 269 | S | 98.5 | Very high | 96.7 | Very high | 6 Ų | 6 | 37.6 Ų | 37.6 | 4% | 0.042 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 166.1 | 173.6 | 70.8 | 0 | 0 | 0 | 0 | 111.1 | T271 G272 D273 | S269-T271 PolarHBondContact O-N 3.05Å; S269-T271 VanDerWaalsContact O-N 3.08Å; S269-T271 PolarHBondContact OG-N 3.39Å; S269-T271 PolarHBondContact OG-OG1 2.95Å; S269-G272 PolarHBondContact O-N 2.86Å; S269-G272 PolarHBondContact OG-N 3.2Å; S269-D273 PolarHBondContact N-O 3.45Å; S269-D273 WeakPolarHBondContact OG-CB 3.36Å; S269-D273 PolarHBondContact OG-N 2.76Å; S269-D273 VanDerWaalsContact OG-N 3.07Å; S269-D273 PolarHBondContact OG-O 2.92Å |
| 270 | K | 97.1 | Very high | 96.3 | Very high | 103 Ų | 103 | 36.8 Ų | 36.8 | 45% | 0.448 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -16.6 | 170.3 | 68.7 | 175.6 | 171.4 | -163 | 0 | 114.9 | M1 N211 D212 I213 | M1-K270 WeakPolarHBondContact CE-O 3.46Å; N211-K270 WeakPolarHBondContact O-CB 3.29Å; D212-K270 WeakPolarHBondContact O-CD 3.42Å; D212-K270 WeakPolarHBondContact O-CE 3.12Å; D212-K270 PolarHBondContact O-NZ 3.23Å; I213-K270 PolarHBondContact O-N 3.11Å |
| 271 | T | 96.3 | Very high | 96 | Very high | 91 Ų | 91 | 32.3 Ų | 32.3 | 56% | 0.558 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | -7.4 | 176.5 | 49.4 | 0 | 0 | 0 | 0 | 112.9 | S269 D273 | S269-T271 PolarHBondContact O-N 3.05Å; S269-T271 VanDerWaalsContact O-N 3.08Å; S269-T271 PolarHBondContact OG-N 3.39Å; S269-T271 PolarHBondContact OG-OG1 2.95Å; T271-D273 PolarHBondContact OG1-OD2 3.05Å |
| 272 | G | 97.1 | Very high | 96 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | S | Bend | trans | 83 | 15 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | S269 K289 | S269-G272 PolarHBondContact O-N 2.86Å; S269-G272 PolarHBondContact OG-N 3.2Å; G272-K289 PolarHBondContact O-NZ 2.97Å |
| 273 | D | 98.2 | Very high | 96 | Very high | 88 Ų | 88 | 29.3 Ų | 29.3 | 47% | 0.471 | 15% | 0.154 | S | C | . | . | trans | -73.4 | 145.3 | 163 | -56.2 | -53.7 | 0 | 0 | 0 | 108.4 | V244 V268 S269 T271 | V244-D273 HydrophobicContact CG1-CB 4.37Å; V244-D273 HydrophobicContact CG2-CB 4.2Å; V268-D273 CarbonylContact C-O 3.57Å; V268-D273 WeakPolarHBondContact CA-O 3.16Å; S269-D273 PolarHBondContact N-O 3.45Å; S269-D273 WeakPolarHBondContact OG-CB 3.36Å; S269-D273 PolarHBondContact OG-N 2.76Å; S269-D273 VanDerWaalsContact OG-N 3.07Å; S269-D273 PolarHBondContact OG-O 2.92Å; T271-D273 PolarHBondContact OG1-OD2 3.05Å | ||
| 274 | W | 98.3 | Very high | 96.1 | Very high | 54 Ų | 54 | 29.3 Ų | 29.3 | 21% | 0.205 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 156.7 | -173.3 | 68 | -85.4 | 0 | 0 | 0 | 111.9 | I4 V6 V267 W285 A287 H294 | I4-W274 HydrophobicContact CD1-CB 3.65Å; I4-W274 HydrophobicContact CD1-CD2 4.04Å; I4-W274 HydrophobicContact CD1-CG 3.27Å; V6-W274 HydrophobicContact CG1-CE3 4.26Å; V6-W274 HydrophobicContact CG2-CB 3.91Å; V6-W274 HydrophobicContact CG2-CD2 4.14Å; V6-W274 HydrophobicContact CG2-CE3 4.03Å; V6-W274 HydrophobicContact CG2-CG 4.11Å; V267-W274 CarbonylContact O-C 3.4Å; V267-W274 WeakPolarHBondContact O-CA 3.35Å; V267-W274 VanDerWaalsContact O-CB 3.24Å; V267-W274 WeakPolarHBondContact O-CB 3.38Å; W274-W285 HydrophobicContact CH2-CE3 4.49Å; W274-W285 AromaticContact CH2-CH2 3.82Å; W274-W285 HydrophobicContact CH2-CH2 3.82Å; W274-W285 AromaticContact CH2-CZ3 3.46Å; W274-W285 HydrophobicContact CH2-CZ3 3.46Å; W274-W285 VanDerWaalsContact CH2-CZ3 3.46Å; W274-W285 HydrophobicContact CZ3-CE3 4.14Å; W274-W285 HydrophobicContact CZ3-CH2 4.1Å; W274-W285 AromaticContact CZ3-CZ3 3.51Å; W274-W285 HydrophobicContact CZ3-CZ3 3.51Å; W274-A287 HydrophobicContact CD2-CB 4.05Å; W274-A287 HydrophobicContact CE3-CB 3.85Å; W274-A287 HydrophobicContact CH2-CB 3.58Å; W274-A287 HydrophobicContact CZ2-CB 3.74Å; W274-A287 HydrophobicContact CZ3-CB 3.63Å; W274-H294 HydrophobicContact CH2-CB 4.16Å; W274-H294 HydrophobicContact CZ2-CB 4.38Å |
| 275 | V | 98.3 | Very high | 96.2 | Very high | 12 Ų | 12 | 30 Ų | 30 | 7% | 0.073 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 149.4 | 173.4 | 79.3 | 0 | 0 | 0 | 0 | 111 | V244 E245 A248 I266 V267 K277 | V244-V275 HydrophobicContact CB-CB 4.46Å; V244-V275 HydrophobicContact CB-CG1 4.18Å; V244-V275 HydrophobicContact CG2-CB 4.09Å; V244-V275 HydrophobicContact CG2-CG1 4.35Å; E245-V275 HydrophobicContact CG-CB 4.45Å; E245-V275 HydrophobicContact CG-CG2 3.9Å; A248-V275 HydrophobicContact CB-CG1 3.88Å; I266-V275 CarbonylContact C-O 3.53Å; I266-V275 WeakPolarHBondContact CA-O 3.17Å; V267-V275 HydrophobicContact CB-CG1 4.08Å; V267-V275 HydrophobicContact CG2-CG1 3.93Å; V267-V275 PolarHBondContact N-O 3.21Å; V267-V275 PolarHBondContact O-N 3.38Å; V275-K277 HydrophobicContact CG1-CG 4.22Å; V275-K277 HydrophobicContact CG2-CD 4.15Å; V275-K277 HydrophobicContact CG2-CG 3.66Å |
| 276 | A | 97.5 | Very high | 96.1 | Very high | 11 Ų | 11 | 30 Ų | 30 | 9% | 0.091 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 119.9 | 161.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | I266 M283 W285 | I266-A276 HydrophobicContact CG2-CB 3.98Å; A276-M283 HydrophobicContact CB-CE 3.97Å; A276-W285 HydrophobicContact CB-CB 4.08Å; A276-W285 HydrophobicContact CB-CD2 3.73Å; A276-W285 HydrophobicContact CB-CE3 3.95Å; A276-W285 HydrophobicContact CB-CG 3.77Å |
| 277 | K | 96.9 | Very high | 96.1 | Very high | 59 Ų | 59 | 30 Ų | 30 | 26% | 0.257 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 147 | -177.9 | -72.7 | -64.5 | -168.3 | 113.6 | 0 | 111.3 | A248 D249 L252 G264 L265 V275 | A248-K277 HydrophobicContact CB-CB 3.94Å; A248-K277 HydrophobicContact CB-CG 3.78Å; D249-K277 VanDerWaalsContact CG-NZ 3.27Å; D249-K277 IonicContact OD1-NZ 3.22Å; D249-K277 PolarHBondContact OD1-NZ 3.03Å; D249-K277 IonicContact OD2-NZ 2.76Å; D249-K277 PolarHBondContact OD2-NZ 2.9Å; L252-K277 HydrophobicContact CD1-CB 3.79Å; G264-K277 CarbonylContact C-O 3.6Å; G264-K277 WeakPolarHBondContact CA-O 3.24Å; L265-K277 PolarHBondContact N-O 2.93Å; L265-K277 PolarHBondContact O-N 3.44Å; V275-K277 HydrophobicContact CG1-CG 4.22Å; V275-K277 HydrophobicContact CG2-CD 4.15Å; V275-K277 HydrophobicContact CG2-CG 3.66Å |
| 278 | W | 95.7 | Very high | 96.1 | Very high | 48 Ų | 48 | 30 Ų | 30 | 18% | 0.182 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 166.8 | 178.2 | 66.4 | 100.7 | 0 | 0 | 0 | 112.6 | G263 M283 W285 P299 | G263-W278 CarbonylContact O-C 3.56Å; G263-W278 VanDerWaalsContact O-CA 3.32Å; G263-W278 WeakPolarHBondContact O-CA 2.77Å; W278-M283 HydrophobicContact CB-CB 4.03Å; W278-M283 HydrophobicContact CB-CE 4.39Å; W278-M283 HydrophobicContact CB-SD 3.89Å; W278-M283 HydrophobicContact CD2-CB 3.69Å; W278-M283 HydrophobicContact CD2-CE 4.28Å; W278-M283 HydrophobicContact CE3-CB 4.1Å; W278-M283 HydrophobicContact CE3-CE 3.59Å; W278-M283 HydrophobicContact CE3-SD 4.46Å; W278-M283 HydrophobicContact CG-CB 3.65Å; W278-M283 HydrophobicContact CG-SD 4.42Å; W278-M283 HydrophobicContact CZ3-CE 4.27Å; W278-W285 AromaticContact CH2-NE1 3.83Å; W278-W285 AromaticContact CZ3-CD1 3.92Å; W278-W285 AromaticContact CZ3-NE1 3.82Å; W278-P299 HydrophobicContact CZ2-CB 4.32Å; W278-P299 HydrophobicContact CZ2-CG 3.92Å |
| 279 | T | 94.1 | Very high | 96 | Very high | 40 Ų | 40 | 32.2 Ų | 32.2 | 25% | 0.245 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -123.2 | -4.4 | 179.2 | 52.7 | 0 | 0 | 0 | 0 | 112.9 | L252 G263 | L252-T279 HydrophobicContact CB-CG2 3.92Å; L252-T279 HydrophobicContact CD1-CG2 4.49Å; G263-T279 PolarHBondContact N-OG1 2.79Å; G263-T279 PolarHBondContact O-N 2.89Å; G263-T279 PolarHBondContact O-OG1 3.22Å |
| 280 | S | 88.3 | Confident | 95.8 | Very high | 24 Ų | 24 | 36.2 Ų | 36.2 | 17% | 0.168 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -76.2 | 179 | 170.7 | 56.2 | 0 | 0 | 0 | 0 | 111.9 | S282 | S280-S282 PolarHBondContact OG-O 3.2Š|
| 281 | T | 89.3 | Confident | 95.5 | Very high | 76 Ų | 76 | 32.6 Ų | 32.6 | 47% | 0.466 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -64.6 | -47.9 | 177.9 | -52.5 | 0 | 0 | 0 | 0 | 111.8 | A12 | A12-T281 PolarHBondContact O-N 3.16Š|
| 282 | S | 91.4 | Very high | 95.6 | Very high | 2 Ų | 2 | 32.5 Ų | 32.5 | 1% | 0.014 | 17% | 0.171 | C | C | . | . | B | Isolated β-bridge | trans | -139.9 | 157.2 | -178.4 | -52.5 | 0 | 0 | 0 | 0 | 109.7 | A12 S280 I297 D298 | A12-S282 PolarHBondContact N-O 3.01Å; A12-S282 PolarHBondContact O-N 3.4Å; A12-S282 VanDerWaalsContact O-N 3.11Å; A12-S282 VanDerWaalsContact O-O 3.08Å; S280-S282 PolarHBondContact OG-O 3.2Å; S282-I297 WeakPolarHBondContact CA-O 3.38Å; S282-I297 WeakPolarHBondContact CB-O 3.4Å; S282-D298 PolarHBondContact OG-OD1 2.85Å |
| 283 | M | 94.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -150.3 | 110 | 168.3 | -177.3 | 178.9 | 82.5 | 0 | 0 | 107.5 | H8 T219 I266 A276 W278 W285 I297 | H8-M283 HydrophobicContact CB-CG 4.41Å; H8-M283 HydrophobicContact CB-SD 4.37Å; T219-M283 HydrophobicContact CG2-CG 4.38Å; T219-M283 HydrophobicContact CG2-SD 3.8Å; I266-M283 HydrophobicContact CG2-CE 4.42Å; A276-M283 HydrophobicContact CB-CE 3.97Å; W278-M283 HydrophobicContact CB-CB 4.03Å; W278-M283 HydrophobicContact CB-CE 4.39Å; W278-M283 HydrophobicContact CB-SD 3.89Å; W278-M283 HydrophobicContact CD2-CB 3.69Å; W278-M283 HydrophobicContact CD2-CE 4.28Å; W278-M283 HydrophobicContact CE3-CB 4.1Å; W278-M283 HydrophobicContact CE3-CE 3.59Å; W278-M283 HydrophobicContact CE3-SD 4.46Å; W278-M283 HydrophobicContact CG-CB 3.65Å; W278-M283 HydrophobicContact CG-SD 4.42Å; W278-M283 HydrophobicContact CZ3-CE 4.27Å; M283-W285 HydrophobicContact CE-CB 4.29Å; M283-W285 VanDerWaalsContact O-CD1 3.29Å; M283-W285 PolarHBondContact O-N 2.82Å; M283-I297 CarbonylContact C-O 3.57Å; M283-I297 PolarHBondContact N-O 3.2Å | ||
| 284 | P | 95.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | trans | -63.5 | 133.7 | 171.1 | -19.5 | 32.9 | 0 | 0 | 0 | 110.2 | H8 G9 G10 I15 V23 M27 L166 G296 I297 | H8-P284 CarbonylContact C-O 3.52Å; H8-P284 VanDerWaalsContact CA-O 3.28Å; H8-P284 WeakPolarHBondContact CA-O 3.28Å; G9-P284 PolarHBondContact N-O 3.42Å; G10-P284 VanDerWaalsContact O-CD 3.23Å; G10-P284 WeakPolarHBondContact O-CD 3.49Å; I15-P284 HydrophobicContact CD1-CG 3.5Å; V23-P284 HydrophobicContact CG1-CB 3.5Å; V23-P284 HydrophobicContact CG1-CG 3.39Å; M27-P284 HydrophobicContact CG-CB 3.71Å; M27-P284 HydrophobicContact SD-CB 3.85Å; L166-P284 HydrophobicContact CD2-CG 3.53Å; P284-G296 WeakPolarHBondContact CA-O 3.29Å; P284-I297 HydrophobicContact CB-CG1 3.99Å; P284-I297 HydrophobicContact CG-CG1 4.09Å | ||
| 285 | W | 97.3 | Very high | 95.5 | Very high | 14 Ų | 14 | 29 Ų | 29 | 5% | 0.053 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 157.5 | 177.4 | 66.9 | -87.8 | 0 | 0 | 0 | 110.9 | V7 W274 A276 W278 M283 A287 H294 F295 G296 T302 | V7-W285 WeakPolarHBondContact O-CA 3.41Å; V7-W285 WeakPolarHBondContact O-CB 3.34Å; W274-W285 HydrophobicContact CH2-CE3 4.49Å; W274-W285 AromaticContact CH2-CH2 3.82Å; W274-W285 HydrophobicContact CH2-CH2 3.82Å; W274-W285 AromaticContact CH2-CZ3 3.46Å; W274-W285 HydrophobicContact CH2-CZ3 3.46Å; W274-W285 VanDerWaalsContact CH2-CZ3 3.46Å; W274-W285 HydrophobicContact CZ3-CE3 4.14Å; W274-W285 HydrophobicContact CZ3-CH2 4.1Å; W274-W285 AromaticContact CZ3-CZ3 3.51Å; W274-W285 HydrophobicContact CZ3-CZ3 3.51Å; A276-W285 HydrophobicContact CB-CB 4.08Å; A276-W285 HydrophobicContact CB-CD2 3.73Å; A276-W285 HydrophobicContact CB-CE3 3.95Å; A276-W285 HydrophobicContact CB-CG 3.77Å; W278-W285 AromaticContact CH2-NE1 3.83Å; W278-W285 AromaticContact CZ3-CD1 3.92Å; W278-W285 AromaticContact CZ3-NE1 3.82Å; M283-W285 HydrophobicContact CE-CB 4.29Å; M283-W285 VanDerWaalsContact O-CD1 3.29Å; M283-W285 PolarHBondContact O-N 2.82Å; W285-A287 HydrophobicContact CZ3-CB 4.15Å; W285-H294 HydrophobicContact CH2-CB 3.99Å; W285-H294 HydrophobicContact CZ3-CB 3.87Å; W285-F295 VanDerWaalsContact O-CA 3.29Å; W285-F295 WeakPolarHBondContact O-CA 3.45Å; W285-F295 WeakPolarHBondContact O-CB 3.45Å; W285-G296 PolarHBondContact N-O 3.17Å; W285-G296 PolarHBondContact O-N 2.89Å; W285-G296 VanDerWaalsContact O-N 3.09Å; W285-T302 HydrophobicContact CH2-CG2 3.81Å; W285-T302 HydrophobicContact CZ2-CG2 3.96Å |
| 286 | A | 98.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 150.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | V6 V7 M27 A31 L293 H294 F295 | V6-A286 CarbonylContact C-O 3.58Å; V6-A286 WeakPolarHBondContact CA-O 3.47Å; V7-A286 HydrophobicContact CG2-CB 3.83Å; V7-A286 PolarHBondContact N-O 2.9Å; V7-A286 PolarHBondContact O-N 3.17Å; M27-A286 HydrophobicContact CB-CB 4.1Å; A31-A286 HydrophobicContact CB-CB 3.76Å; A286-L293 HydrophobicContact CB-CD1 4.37Å; A286-H294 CarbonylContact C-O 3.58Å; A286-H294 WeakPolarHBondContact CA-O 3.38Å; A286-F295 HydrophobicContact CB-CB 3.81Å |
| 287 | A | 98.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 132.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | V5 V6 W274 W285 L293 H294 | V5-A287 CarbonylContact O-C 3.5Å; V5-A287 WeakPolarHBondContact O-CA 3.38Å; V6-A287 HydrophobicContact CB-CB 4.44Å; V6-A287 HydrophobicContact CG1-CB 4.15Å; V6-A287 HydrophobicContact CG2-CB 3.99Å; W274-A287 HydrophobicContact CD2-CB 4.05Å; W274-A287 HydrophobicContact CE3-CB 3.85Å; W274-A287 HydrophobicContact CH2-CB 3.58Å; W274-A287 HydrophobicContact CZ2-CB 3.74Å; W274-A287 HydrophobicContact CZ3-CB 3.63Å; W285-A287 HydrophobicContact CZ3-CB 4.15Å; A287-L293 WeakPolarHBondContact O-CA 3.37Å; A287-H294 HydrophobicContact CB-CB 4.38Å; A287-H294 PolarHBondContact N-O 3.48Å; A287-H294 PolarHBondContact O-N 2.91Å |
| 288 | A | 98.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 118 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | I4 V5 A31 Y35 K292 L293 L307 | I4-A288 WeakPolarHBondContact CA-O 3.42Å; V5-A288 HydrophobicContact CG1-CB 3.88Å; V5-A288 PolarHBondContact N-O 2.62Å; V5-A288 VanDerWaalsContact N-O 3.16Å; V5-A288 PolarHBondContact O-N 3.49Å; A31-A288 HydrophobicContact CB-CB 4.37Å; Y35-A288 HydrophobicContact CD1-CB 4.31Å; Y35-A288 HydrophobicContact CD2-CB 3.85Å; Y35-A288 VanDerWaalsContact CD2-O 3.28Å; Y35-A288 WeakPolarHBondContact CD2-O 3.14Å; Y35-A288 WeakPolarHBondContact CE2-O 3.33Å; Y35-A288 HydrophobicContact CG-CB 3.68Å; A288-K292 WeakPolarHBondContact CA-O 3.43Å; A288-L293 HydrophobicContact CB-CD1 4.03Å; A288-L307 HydrophobicContact CB-CD1 4.14Å; A288-L307 HydrophobicContact CB-CD2 4.13Å |
| 289 | K | 97 | Very high | 94.4 | Very high | 47 Ų | 47 | 28 Ų | 28 | 20% | 0.204 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 141.2 | -179.1 | -169.9 | -174.1 | -175.9 | 167.9 | 0 | 109.1 | I4 G272 G291 K292 | I4-K289 HydrophobicContact CB-CB 4.24Å; I4-K289 HydrophobicContact CB-CD 4.48Å; I4-K289 HydrophobicContact CB-CG 4.15Å; I4-K289 HydrophobicContact CD1-CB 4.15Å; I4-K289 HydrophobicContact CD1-CD 4.14Å; I4-K289 HydrophobicContact CD1-CG 4.43Å; I4-K289 HydrophobicContact CG1-CB 4.15Å; G272-K289 PolarHBondContact O-NZ 2.97Å; K289-G291 VanDerWaalsContact C-N 3.26Å; K289-G291 PolarHBondContact O-N 3.41Å; K289-G291 VanDerWaalsContact O-N 3.15Å; K289-K292 PolarHBondContact N-O 2.89Å; K289-K292 PolarHBondContact O-N 3.22Å |
| 290 | D | 94.1 | Very high | 94 | Very high | 90 Ų | 90 | 34.2 Ų | 34.2 | 48% | 0.481 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 39.6 | 174.9 | -58.2 | -38.2 | 0 | 0 | 0 | 114.8 | N2 Y35 K292 | N2-D290 WeakPolarHBondContact CB-OD1 3.42Å; N2-D290 PolarHBondContact ND2-OD1 3.05Å; Y35-D290 PolarHBondContact OH-N 3.07Å; Y35-D290 VanDerWaalsContact OH-N 3.09Å; D290-K292 PolarHBondContact O-N 3.31Å |
| 291 | G | 91.1 | Very high | 94 | Very high | 27 Ų | 27 | 36.8 Ų | 36.8 | 28% | 0.278 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | 3.9 | -179 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y35 K289 L307 | Y35-G291 PolarHBondContact OH-N 3.35Å; K289-G291 VanDerWaalsContact C-N 3.26Å; K289-G291 PolarHBondContact O-N 3.41Å; K289-G291 VanDerWaalsContact O-N 3.15Å; G291-L307 PolarHBondContact O-N 3.26Å |
| 292 | K | 96.9 | Very high | 94.2 | Very high | 90 Ų | 90 | 36.6 Ų | 36.6 | 39% | 0.391 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 147.1 | 175 | -59.9 | -60.4 | -174.9 | 179.1 | 0 | 111.1 | A288 K289 D290 D306 | A288-K292 WeakPolarHBondContact CA-O 3.43Å; K289-K292 PolarHBondContact N-O 2.89Å; K289-K292 PolarHBondContact O-N 3.22Å; D290-K292 PolarHBondContact O-N 3.31Å; K292-D306 IonicContact NZ-OD1 3.2Å; K292-D306 PolarHBondContact NZ-OD1 2.8Å |
| 293 | L | 97.6 | Very high | 94.4 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 123.2 | 172.6 | -173.2 | 71.1 | 0 | 0 | 0 | 109.1 | V28 A31 A286 A287 A288 F295 I304 T305 L307 | V28-L293 HydrophobicContact CB-CD2 4.08Å; V28-L293 HydrophobicContact CG1-CD2 3.68Å; V28-L293 HydrophobicContact CG2-CD2 3.82Å; A31-L293 HydrophobicContact CB-CD1 3.65Å; A286-L293 HydrophobicContact CB-CD1 4.37Å; A287-L293 WeakPolarHBondContact O-CA 3.37Å; A288-L293 HydrophobicContact CB-CD1 4.03Å; L293-F295 HydrophobicContact CD2-CD1 4.07Å; L293-F295 HydrophobicContact CD2-CE1 4.4Å; L293-F295 HydrophobicContact CG-CD1 4.06Å; L293-I304 CarbonylContact O-C 3.54Å; L293-I304 WeakPolarHBondContact O-CA 3.23Å; L293-T305 PolarHBondContact N-O 3.1Å; L293-T305 PolarHBondContact O-N 2.92Å; L293-L307 HydrophobicContact CB-CD2 4.42Å; L293-L307 HydrophobicContact CB-CG 4.2Å; L293-L307 HydrophobicContact CD1-CD2 4.31Å |
| 294 | H | 97.6 | Very high | 94.4 | Very high | 45 Ų | 45 | 44 Ų | 44 | 21% | 0.208 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 136.2 | 171.1 | -60.7 | -111.7 | 0 | 0 | 0 | 107.9 | W274 W285 A286 A287 T303 | W274-H294 HydrophobicContact CH2-CB 4.16Å; W274-H294 HydrophobicContact CZ2-CB 4.38Å; W285-H294 HydrophobicContact CH2-CB 3.99Å; W285-H294 HydrophobicContact CZ3-CB 3.87Å; A286-H294 CarbonylContact C-O 3.58Å; A286-H294 WeakPolarHBondContact CA-O 3.38Å; A287-H294 HydrophobicContact CB-CB 4.38Å; A287-H294 PolarHBondContact N-O 3.48Å; A287-H294 PolarHBondContact O-N 2.91Å; H294-T303 WeakPolarHBondContact CA-O 3.49Å |
| 295 | F | 96.6 | Very high | 94.5 | Very high | 23 Ų | 23 | 46.6 Ų | 46.6 | 10% | 0.101 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 156.5 | 176.5 | 60.6 | -85 | 0 | 0 | 0 | 112 | V28 W285 A286 L293 T303 T305 | V28-F295 HydrophobicContact CG2-CD1 4.33Å; V28-F295 HydrophobicContact CG2-CE1 4.46Å; V28-F295 HydrophobicContact CG2-CG 4.37Å; W285-F295 VanDerWaalsContact O-CA 3.29Å; W285-F295 WeakPolarHBondContact O-CA 3.45Å; W285-F295 WeakPolarHBondContact O-CB 3.45Å; A286-F295 HydrophobicContact CB-CB 3.81Å; L293-F295 HydrophobicContact CD2-CD1 4.07Å; L293-F295 HydrophobicContact CD2-CE1 4.4Å; L293-F295 HydrophobicContact CG-CD1 4.06Å; F295-T303 HydrophobicContact CE1-CG2 3.78Å; F295-T303 HydrophobicContact CE2-CG2 4.05Å; F295-T303 HydrophobicContact CZ-CG2 3.41Å; F295-T303 VanDerWaalsContact CZ-CG2 3.41Å; F295-T303 PolarHBondContact N-O 3.25Å; F295-T303 PolarHBondContact O-N 2.93Å; F295-T305 HydrophobicContact CE1-CG2 4Å; F295-T305 HydrophobicContact CZ-CG2 4.4Å |
| 296 | G | 94.7 | Very high | 94.3 | Very high | 3 Ų | 3 | 51.1 Ų | 51.1 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.2 | 171.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | P284 W285 D301 | P284-G296 WeakPolarHBondContact CA-O 3.29Å; W285-G296 PolarHBondContact N-O 3.17Å; W285-G296 PolarHBondContact O-N 2.89Å; W285-G296 VanDerWaalsContact O-N 3.09Å; G296-D301 VanDerWaalsContact CA-O 3.3Å; G296-D301 WeakPolarHBondContact CA-O 3.37Å |
| 297 | I | 93.2 | Very high | 93.7 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -126.7 | -46 | 173 | -73.1 | -179.5 | 0 | 0 | 0 | 110.7 | I15 K20 V23 H24 S282 M283 P284 | I15-I297 HydrophobicContact CD1-CD1 4.31Å; I15-I297 HydrophobicContact CD1-CG2 3.9Å; K20-I297 HydrophobicContact CB-CD1 4.1Å; K20-I297 HydrophobicContact CG-CD1 4.05Å; V23-I297 HydrophobicContact CB-CD1 4.2Å; V23-I297 HydrophobicContact CG1-CD1 3.82Å; V23-I297 HydrophobicContact CG1-CG1 4.4Å; H24-I297 WeakPolarHBondContact CD2-CD1 3.38Å; H24-I297 VanDerWaalsContact CD2-CG1 3.46Å; H24-I297 WeakPolarHBondContact CD2-CG1 3.23Å; H24-I297 WeakPolarHBondContact NE2-CD1 3.34Å; H24-I297 VanDerWaalsContact NE2-CG1 3.31Å; H24-I297 WeakPolarHBondContact NE2-CG1 3.47Å; S282-I297 WeakPolarHBondContact CA-O 3.38Å; S282-I297 WeakPolarHBondContact CB-O 3.4Å; M283-I297 CarbonylContact C-O 3.57Å; M283-I297 PolarHBondContact N-O 3.2Å; P284-I297 HydrophobicContact CB-CG1 3.99Å; P284-I297 HydrophobicContact CG-CG1 4.09Å |
| 298 | D | 91.6 | Very high | 92.9 | Very high | 35 Ų | 35 | 59.3 Ų | 59.3 | 19% | 0.187 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -102.6 | 158.3 | -173.8 | -63.8 | -43.1 | 0 | 0 | 0 | 111 | K20 S282 D300 D301 | K20-D298 IonicContact NZ-OD2 2.62Å; K20-D298 PolarHBondContact NZ-OD2 3.09Å; S282-D298 PolarHBondContact OG-OD1 2.85Å; D298-D300 PolarHBondContact O-N 3.43Å; D298-D301 HydrophobicContact CB-CB 4.3Å; D298-D301 PolarHBondContact O-N 3.14Å |
| 299 | P | 86 | Confident | 92.6 | Very high | 71 Ų | 71 | 62.3 Ų | 62.3 | 46% | 0.461 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 141.1 | 176.2 | -24.7 | 34.6 | 0 | 0 | 0 | 110.6 | W278 D301 | W278-P299 HydrophobicContact CZ2-CB 4.32Å; W278-P299 HydrophobicContact CZ2-CG 3.92Å; P299-D301 PolarHBondContact O-N 2.81Å |
| 300 | D | 85.4 | Confident | 92.4 | Very high | 170 Ų | 170 | 63.1 Ų | 63.1 | 91% | 0.909 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | 8.7 | 177.9 | -47.7 | -48.1 | 0 | 0 | 0 | 115.5 | D298 | D298-D300 PolarHBondContact O-N 3.43Š|
| 301 | D | 87.8 | Confident | 92.3 | Very high | 77 Ų | 77 | 61.6 Ų | 61.6 | 41% | 0.412 | 35% | 0.35 | S | S | . | . | trans | -108.3 | 80.7 | 176.2 | -170.8 | 16.2 | 0 | 0 | 0 | 110.2 | G296 D298 P299 | G296-D301 VanDerWaalsContact CA-O 3.3Å; G296-D301 WeakPolarHBondContact CA-O 3.37Å; D298-D301 HydrophobicContact CB-CB 4.3Å; D298-D301 PolarHBondContact O-N 3.14Å; P299-D301 PolarHBondContact O-N 2.81Å | ||
| 302 | T | 93.8 | Very high | 92.3 | Very high | 73 Ų | 73 | 63.6 Ų | 63.6 | 45% | 0.448 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 121.7 | 177 | -57.3 | 0 | 0 | 0 | 0 | 110.2 | W285 I304 | W285-T302 HydrophobicContact CH2-CG2 3.81Å; W285-T302 HydrophobicContact CZ2-CG2 3.96Å; T302-I304 HydrophobicContact CG2-CG1 4.41Å |
| 303 | T | 95.4 | Very high | 92.1 | Very high | 56 Ų | 56 | 62 Ų | 62 | 34% | 0.344 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 142.3 | 170.3 | -60.3 | 0 | 0 | 0 | 0 | 109.7 | H294 F295 T305 | H294-T303 WeakPolarHBondContact CA-O 3.49Å; F295-T303 HydrophobicContact CE1-CG2 3.78Å; F295-T303 HydrophobicContact CE2-CG2 4.05Å; F295-T303 HydrophobicContact CZ-CG2 3.41Å; F295-T303 VanDerWaalsContact CZ-CG2 3.41Å; F295-T303 PolarHBondContact N-O 3.25Å; F295-T303 PolarHBondContact O-N 2.93Å; T303-T305 HydrophobicContact CG2-CG2 4.14Å |
| 304 | I | 96.2 | Very high | 91.7 | Very high | 100 Ų | 100 | 66.1 Ų | 66.1 | 51% | 0.513 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 125.7 | 175.9 | -51.2 | 176.4 | 0 | 0 | 0 | 108.6 | L293 T302 | L293-I304 CarbonylContact O-C 3.54Å; L293-I304 WeakPolarHBondContact O-CA 3.23Å; T302-I304 HydrophobicContact CG2-CG1 4.41Å |
| 305 | T | 96.1 | Very high | 91.3 | Very high | 56 Ų | 56 | 67.6 Ų | 67.6 | 34% | 0.344 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 165 | 177 | 58.6 | 0 | 0 | 0 | 0 | 110.6 | L293 F295 T303 | L293-T305 PolarHBondContact N-O 3.1Å; L293-T305 PolarHBondContact O-N 2.92Å; F295-T305 HydrophobicContact CE1-CG2 4Å; F295-T305 HydrophobicContact CZ-CG2 4.4Å; T303-T305 HydrophobicContact CG2-CG2 4.14Å |
| 306 | D | 94.3 | Very high | 90.9 | Very high | 108 Ų | 108 | 71 Ų | 71 | 58% | 0.578 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 147.8 | 159.2 | -67.1 | -43.5 | 0 | 0 | 0 | 109.6 | K292 | K292-D306 IonicContact NZ-OD1 3.2Å; K292-D306 PolarHBondContact NZ-OD1 2.8Å |
| 307 | L | 86.1 | Confident | 90.5 | Very high | 24 Ų | 24 | 76.7 Ų | 76.7 | 13% | 0.126 | 44% | 0.441 | C | S | . | . | trans | -63 | 133.7 | 167.1 | -90.3 | 152.1 | 0 | 0 | 0 | 109.1 | T32 Y35 A288 G291 L293 | T32-L307 HydrophobicContact CG2-CD2 4.46Å; Y35-L307 HydrophobicContact CD1-CD1 3.2Å; Y35-L307 HydrophobicContact CD1-CD2 4.29Å; Y35-L307 HydrophobicContact CD1-CG 4.37Å; Y35-L307 HydrophobicContact CE1-CD1 3.24Å; Y35-L307 HydrophobicContact CG-CD1 4.07Å; A288-L307 HydrophobicContact CB-CD1 4.14Å; A288-L307 HydrophobicContact CB-CD2 4.13Å; G291-L307 PolarHBondContact O-N 3.26Å; L293-L307 HydrophobicContact CB-CD2 4.42Å; L293-L307 HydrophobicContact CB-CG 4.2Å; L293-L307 HydrophobicContact CD1-CD2 4.31Å | ||
| 308 | P | 80.5 | Confident | 90.3 | Very high | 149 Ų | 149 | 83.5 Ų | 83.5 | 97% | 0.968 | 48% | 0.481 | S | S | * | . | trans | -66.2 | 0 | 178.8 | 28.4 | -34.1 | 0 | 0 | 0 | 113.3 | T32 | T32-P308 HydrophobicContact CG2-CG 4.16Š|
Retrieved 308 of 308 residues in 846.3 ms
(Link to these results)