| 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 | 88.2 | Confident | 95.5 | Very high | 103 Ų | 103 | 21.9 Ų | 21.9 | 51% | 0.507 | 12% | 0.121 | S | C | . | . | 0 | 147.7 | 0 | -68.9 | -62.3 | -78.7 | 0 | 0 | 108.5 | P3 L174 A176 K270 T271 | M1-P3 WeakPolarHBondContact O-CD 3.3Å; M1-L174 HydrophobicContact CB-CD2 4.16Å; M1-L174 HydrophobicContact CB-CG 4.43Å; M1-L174 HydrophobicContact CE-CD2 3.84Å; M1-L174 HydrophobicContact CG-CD2 4.47Å; M1-A176 PolarHBondContact N-O 3.05Å; M1-K270 WeakPolarHBondContact CE-O 3.5Å; M1-T271 VanDerWaalsContact CE-O 3.26Å; M1-T271 WeakPolarHBondContact CE-O 3.38Å | |||
| 2 | N | 95.3 | Very high | 94.8 | Very high | 101 Ų | 101 | 21.5 Ų | 21.5 | 54% | 0.54 | 12% | 0.123 | S | C | . | . | trans | -71.6 | 120.3 | 170.2 | -71.9 | 10.9 | 0 | 0 | 0 | 107.6 | D290 | N2-D290 PolarHBondContact ND2-OD1 2.76Š| ||
| 3 | P | 98.1 | Very high | 94.1 | Very high | 26 Ų | 26 | 20.5 Ų | 20.5 | 17% | 0.169 | 12% | 0.12 | C | C | . | . | trans | -63.3 | 151.3 | -176 | -20.9 | 32.3 | 0 | 0 | 0 | 111.9 | M1 L38 L174 A176 | M1-P3 WeakPolarHBondContact O-CD 3.3Å; P3-L38 HydrophobicContact CB-CB 3.73Å; P3-L38 HydrophobicContact CB-CD1 3.95Å; P3-L38 HydrophobicContact CB-CG 4.27Å; P3-L38 HydrophobicContact CG-CB 4.45Å; P3-L174 VanDerWaalsContact CA-O 3.23Å; P3-L174 WeakPolarHBondContact CA-O 3.42Å; P3-A176 HydrophobicContact CG-CB 4.16Å | ||
| 4 | I | 98.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 142.7 | 173 | 172.3 | 164.8 | 0 | 0 | 0 | 109.4 | V6 L38 A173 L174 V268 W274 A288 K289 | I4-V6 HydrophobicContact CD1-CG2 3.87Å; I4-V6 HydrophobicContact CG1-CG2 4.01Å; I4-L38 WeakPolarHBondContact O-CD1 3.26Å; I4-A173 CarbonylContact O-C 3.54Å; I4-A173 WeakPolarHBondContact O-CA 3.43Å; I4-L174 HydrophobicContact CG2-CB 3.74Å; I4-L174 HydrophobicContact CG2-CD2 4.38Å; I4-L174 PolarHBondContact N-O 2.91Å; I4-L174 PolarHBondContact O-N 2.91Å; I4-V268 HydrophobicContact CG2-CG2 3.59Å; I4-W274 HydrophobicContact CD1-CB 3.63Å; I4-W274 HydrophobicContact CD1-CD2 3.84Å; I4-W274 HydrophobicContact CD1-CG 3.19Å; I4-A288 WeakPolarHBondContact CA-O 3.45Å; I4-K289 HydrophobicContact CB-CB 4.11Å; I4-K289 HydrophobicContact CB-CD 4.11Å; I4-K289 HydrophobicContact CB-CG 4.06Å; I4-K289 HydrophobicContact CD1-CB 4.08Å; I4-K289 HydrophobicContact CD1-CD 3.93Å; I4-K289 HydrophobicContact CD1-CG 4.43Å; I4-K289 HydrophobicContact CG1-CB 4.14Å; I4-K289 HydrophobicContact CG1-CD 4.47Å |
| 5 | V | 98.9 | Very high | 93 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 138.1 | 162.8 | 63.1 | 0 | 0 | 0 | 0 | 108.9 | V7 A31 Y35 L38 V172 A173 A287 A288 | V5-V7 HydrophobicContact CG2-CG1 4.09Å; V5-A31 WeakPolarHBondContact CG1-O 3.4Å; V5-Y35 HydrophobicContact CG1-CD2 4.33Å; V5-L38 HydrophobicContact CB-CD1 4.03Å; V5-V172 WeakPolarHBondContact CA-O 3.38Å; V5-A173 HydrophobicContact CB-CB 4.43Å; V5-A173 HydrophobicContact CG2-CB 4.41Å; V5-A287 CarbonylContact O-C 3.52Å; V5-A287 VanDerWaalsContact O-CA 3.32Å; V5-A287 WeakPolarHBondContact O-CA 3.45Å; V5-A288 HydrophobicContact CG1-CB 3.94Å; V5-A288 PolarHBondContact N-O 3.43Å; V5-A288 PolarHBondContact O-N 3.08Å |
| 6 | V | 98.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 137.9 | 169.7 | -168.3 | 0 | 0 | 0 | 0 | 107.2 | I4 A171 V172 I266 W274 A286 A287 | I4-V6 HydrophobicContact CD1-CG2 3.87Å; I4-V6 HydrophobicContact CG1-CG2 4.01Å; V6-A171 CarbonylContact O-C 3.56Å; V6-A171 VanDerWaalsContact O-CA 3.22Å; V6-A171 WeakPolarHBondContact O-CA 3.2Å; V6-V172 HydrophobicContact CB-CG2 3.87Å; V6-V172 HydrophobicContact CG2-CG2 4.29Å; V6-V172 PolarHBondContact N-O 3.38Å; V6-V172 PolarHBondContact O-N 3.44Å; V6-I266 HydrophobicContact CB-CB 4.36Å; V6-I266 HydrophobicContact CB-CD1 4.09Å; V6-I266 HydrophobicContact CG1-CB 3.77Å; V6-I266 HydrophobicContact CG1-CD1 4.04Å; V6-I266 HydrophobicContact CG1-CG1 4.49Å; V6-I266 HydrophobicContact CG1-CG2 3.76Å; V6-I266 WeakPolarHBondContact O-CD1 3.28Å; V6-W274 HydrophobicContact CG2-CB 4.06Å; V6-W274 HydrophobicContact CG2-CD2 4.33Å; V6-W274 HydrophobicContact CG2-CE3 4.15Å; V6-W274 HydrophobicContact CG2-CG 4.33Å; V6-A286 CarbonylContact C-O 3.58Å; V6-A286 WeakPolarHBondContact CA-O 3.24Å; V6-A286 WeakPolarHBondContact CG1-O 3.43Å; V6-A287 HydrophobicContact CB-CB 4.45Å; V6-A287 HydrophobicContact CG1-CB 4.18Å; V6-A287 HydrophobicContact CG2-CB 3.98Å |
| 7 | V | 98.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 151.3 | 179.8 | -56.7 | 0 | 0 | 0 | 0 | 110.2 | V5 I27 A30 A31 A51 G170 A171 W285 A286 | V5-V7 HydrophobicContact CG2-CG1 4.09Å; V7-I27 HydrophobicContact CG2-CD1 4.2Å; V7-I27 HydrophobicContact CG2-CG2 4.09Å; V7-A30 HydrophobicContact CG1-CB 4.4Å; V7-A30 HydrophobicContact CG2-CB 4.43Å; V7-A31 HydrophobicContact CG2-CB 3.97Å; V7-A51 HydrophobicContact CG1-CB 3.84Å; V7-G170 CarbonylContact C-O 3.51Å; V7-G170 VanDerWaalsContact CA-O 3.31Å; V7-G170 WeakPolarHBondContact CA-O 3.33Å; V7-A171 HydrophobicContact CG1-CB 3.98Å; V7-W285 VanDerWaalsContact O-CA 3.25Å; V7-W285 WeakPolarHBondContact O-CA 3.45Å; V7-A286 HydrophobicContact CG2-CB 3.93Å; V7-A286 PolarHBondContact N-O 3.29Å; V7-A286 PolarHBondContact O-N 3.39Å |
| 8 | H | 98.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 151.2 | 173.8 | 74.3 | 86.2 | 0 | 0 | 0 | 112.4 | T168 V169 G170 S217 T218 I266 M283 P284 | H8-T168 PolarHBondContact ND1-O 3.08Å; H8-V169 VanDerWaalsContact CE1-C 3.47Å; H8-V169 WeakPolarHBondContact O-CA 3.34Å; H8-G170 PolarHBondContact CD2-O 2.97Å; H8-G170 PolarHBondContact CE1-N 3.22Å; H8-G170 PolarHBondContact N-O 3.29Å; H8-G170 VanDerWaalsContact NE2-CA 3.33Å; H8-G170 WeakPolarHBondContact NE2-CA 3.49Å; H8-G170 PolarHBondContact NE2-N 3.17Å; H8-G170 PolarHBondContact O-N 3.11Å; H8-G170 VanDerWaalsContact O-N 3.11Å; H8-S217 PolarHBondContact NE2-OG 3.01Å; H8-T218 PolarHBondContact CE1-O 3.11Å; H8-I266 HydrophobicContact CB-CD1 4.35Å; H8-I266 HydrophobicContact CB-CG2 3.91Å; H8-M283 HydrophobicContact CB-SD 4.47Å; H8-P284 CarbonylContact C-O 3.53Å; H8-P284 WeakPolarHBondContact CA-O 3.28Å |
| 9 | G | 96.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | trans | -98.9 | -151.5 | 157.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | G11 T168 P284 | G9-G11 PolarHBondContact O-N 2.99Å; G9-T168 CarbonylContact C-O 3.03Å; G9-T168 VanDerWaalsContact O-O 3.05Å; G9-P284 PolarHBondContact N-O 3.15Å | ||
| 10 | G | 91.4 | Very high | 91.5 | Very high | 5 Ų | 5 | 43.4 Ų | 43.4 | 5% | 0.052 | 24% | 0.235 | C | C | . | . | trans | -72 | 124.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | A12 T168 M283 P284 | G10-A12 PolarHBondContact O-N 3.05Å; G10-A12 VanDerWaalsContact O-N 3.11Å; G10-T168 PolarHBondContact N-O 3.33Å; G10-M283 WeakPolarHBondContact O-CA 3.33Å; G10-P284 VanDerWaalsContact O-CD 3.23Å; G10-P284 WeakPolarHBondContact O-CD 3.21Å | ||
| 11 | G | 86.4 | Confident | 91.5 | Very high | 6 Ų | 6 | 46.3 Ų | 46.3 | 6% | 0.062 | 25% | 0.247 | C | C | . | . | trans | -74.1 | 87 | 158.7 | 0 | 0 | 0 | 0 | 0 | 111 | G9 T219 S280 S282 | G9-G11 PolarHBondContact O-N 2.99Å; G11-T219 PolarHBondContact N-OG1 2.77Å; G11-S280 VanDerWaalsContact C-OG 3.23Å; G11-S280 WeakPolarHBondContact CA-OG 3.27Å; G11-S282 WeakPolarHBondContact CA-O 3.26Å | ||
| 12 | A | 87.4 | Confident | 91.7 | Very high | 17 Ų | 17 | 46.5 Ų | 46.5 | 14% | 0.14 | 24% | 0.242 | C | C | . | . | B | Isolated β-bridge | trans | -142.5 | -166.2 | -166.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | G10 N165 S280 T281 S282 | G10-A12 PolarHBondContact O-N 3.05Å; G10-A12 VanDerWaalsContact O-N 3.11Å; A12-N165 WeakPolarHBondContact CB-O 3.47Å; A12-S280 PolarHBondContact N-OG 3.32Å; A12-S280 WeakPolarHBondContact O-CB 3.24Å; A12-T281 PolarHBondContact O-N 3.36Å; A12-T281 VanDerWaalsContact O-N 3.09Å; A12-S282 PolarHBondContact N-O 3.08Å; A12-S282 PolarHBondContact O-N 3.35Å |
| 13 | G | 85.1 | Confident | 91.6 | Very high | 9 Ų | 9 | 42.2 Ų | 42.2 | 9% | 0.093 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -68.5 | -177.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | E163 | G13-E163 WeakPolarHBondContact CA-O 3.39Å; G13-E163 PolarHBondContact N-O 3.41Å |
| 14 | P | 85 | Confident | 91.3 | Very high | 104 Ų | 104 | 43.2 Ų | 43.2 | 68% | 0.675 | 22% | 0.221 | S | C | * | . | trans | -65.1 | 146.6 | -171.9 | 26.3 | -34.6 | 0 | 0 | 0 | 113.2 | T281 | P14-T281 HydrophobicContact CB-CG2 4.2Š| ||
| 15 | I | 86.8 | Confident | 91.1 | Very high | 22 Ų | 22 | 47.2 Ų | 47.2 | 11% | 0.113 | 24% | 0.24 | C | C | . | . | trans | -104.9 | 129.2 | 178.9 | -62.3 | 160.9 | 0 | 0 | 0 | 109.8 | R19 K20 M23 P284 I297 | I15-R19 HydrophobicContact CG2-CB 3.65Å; I15-K20 HydrophobicContact CB-CG 4.14Å; I15-K20 HydrophobicContact CG2-CG 3.74Å; I15-K20 WeakPolarHBondContact O-CE 3.48Å; I15-M23 HydrophobicContact CD1-CE 4.3Å; I15-M23 HydrophobicContact CD1-SD 3.63Å; I15-M23 HydrophobicContact CG1-SD 4.1Å; I15-M23 HydrophobicContact CG2-SD 3.89Å; I15-P284 HydrophobicContact CD1-CG 3.57Å; I15-I297 HydrophobicContact CD1-CG2 3.61Å | ||
| 16 | S | 86.6 | Confident | 91 | Very high | 68 Ų | 68 | 47.2 Ų | 47.2 | 48% | 0.476 | 24% | 0.24 | S | C | . | . | trans | -62.9 | 149.3 | 176.9 | 64.6 | 0 | 0 | 0 | 0 | 111.7 | D18 R19 K20 | S16-D18 VanDerWaalsContact C-N 3.28Å; S16-D18 PolarHBondContact O-N 2.73Å; S16-R19 PolarHBondContact O-N 3.01Å; S16-K20 PolarHBondContact O-N 3.27Å | ||
| 17 | K | 85.6 | Confident | 90.9 | Very high | 185 Ų | 185 | 47.4 Ų | 47.4 | 80% | 0.804 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -50 | -47.4 | -178.8 | -69.8 | -171.8 | 178.4 | -176.4 | 0 | 112.6 | R19 K20 | K17-R19 PolarHBondContact O-N 2.86Å; K17-K20 PolarHBondContact O-N 3.4Å; K17-K20 VanDerWaalsContact O-N 3.15Å |
| 18 | D | 84.3 | Confident | 90.8 | Very high | 125 Ų | 125 | 49 Ų | 49 | 67% | 0.668 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -62.8 | -28.9 | -179.4 | -55.8 | -22.8 | 0 | 0 | 0 | 113.3 | S16 R22 | S16-D18 VanDerWaalsContact C-N 3.28Å; S16-D18 PolarHBondContact O-N 2.73Å; D18-R22 PolarHBondContact O-NH1 3.4Å |
| 19 | R | 88.4 | Confident | 90.7 | Very high | 38 Ų | 38 | 54.6 Ų | 54.6 | 14% | 0.143 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -84 | -29.6 | 177.4 | -75.1 | -167.5 | 70.4 | -122.5 | -5.6 | 112.5 | I15 S16 K17 E21 R22 M23 E60 | I15-R19 HydrophobicContact CG2-CB 3.65Å; S16-R19 PolarHBondContact O-N 3.01Å; K17-R19 PolarHBondContact O-N 2.86Å; R19-E21 VanDerWaalsContact C-N 3.3Å; R19-E21 PolarHBondContact O-N 3.38Å; R19-R22 PolarHBondContact O-N 3.02Å; R19-M23 WeakPolarHBondContact O-CG 3.44Å; R19-M23 PolarHBondContact O-N 3Å; R19-E60 IonicContact CZ-OE2 3.17Å; R19-E60 IonicContact NE-OE2 3.53Å; R19-E60 PolarHBondContact NE-OE2 2.92Å; R19-E60 PolarHBondContact NH2-O 2.9Å; R19-E60 VanDerWaalsContact NH2-O 3.12Å; R19-E60 IonicContact NH2-OE2 3.06Å; R19-E60 PolarHBondContact NH2-OE2 2.88Å; R19-E60 VanDerWaalsContact NH2-OE2 3.17Å |
| 20 | K | 90.4 | Very high | 90.8 | Very high | 59 Ų | 59 | 54.6 Ų | 54.6 | 26% | 0.257 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -55.9 | -45.4 | -179.4 | -74 | -169.6 | 173.9 | -167.9 | 0 | 111.9 | I15 S16 K17 R22 M23 H24 I297 D298 | I15-K20 HydrophobicContact CB-CG 4.14Å; I15-K20 HydrophobicContact CG2-CG 3.74Å; I15-K20 WeakPolarHBondContact O-CE 3.48Å; S16-K20 PolarHBondContact O-N 3.27Å; K17-K20 PolarHBondContact O-N 3.4Å; K17-K20 VanDerWaalsContact O-N 3.15Å; K20-R22 PolarHBondContact O-N 3.45Å; K20-M23 PolarHBondContact O-N 2.99Å; K20-H24 VanDerWaalsContact O-CB 3.22Å; K20-H24 WeakPolarHBondContact O-CB 3.22Å; K20-H24 PolarHBondContact O-N 3.12Å; K20-I297 HydrophobicContact CB-CD1 3.98Å; K20-I297 HydrophobicContact CG-CD1 4.02Å; K20-D298 IonicContact NZ-OD2 2.56Å; K20-D298 PolarHBondContact NZ-OD2 3.03Å |
| 21 | E | 91.1 | Very high | 91.2 | Very high | 104 Ų | 104 | 54.3 Ų | 54.3 | 49% | 0.486 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.1 | -44.5 | 179.3 | -177.7 | 54.2 | -142.9 | 0 | 0 | 112.2 | R19 H24 Q25 | R19-E21 VanDerWaalsContact C-N 3.3Å; R19-E21 PolarHBondContact O-N 3.38Å; E21-H24 WeakPolarHBondContact O-CB 3.38Å; E21-H24 PolarHBondContact O-N 2.94Å; E21-H24 IonicContact OE1-ND1 3.98Å; E21-Q25 VanDerWaalsContact O-CG 3.31Å; E21-Q25 WeakPolarHBondContact O-CG 3.41Å; E21-Q25 PolarHBondContact O-N 3.21Å; E21-Q25 PolarHBondContact OE1-NE2 3.26Å |
| 22 | R | 93.3 | Very high | 91.7 | Very high | 107 Ų | 107 | 56.7 Ų | 56.7 | 40% | 0.404 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -68.2 | -39.7 | 178.6 | -64.9 | -167.8 | -68.2 | -75.7 | -1.2 | 112.4 | D18 R19 K20 H24 Q25 G26 E60 | D18-R22 PolarHBondContact O-NH1 3.4Å; R19-R22 PolarHBondContact O-N 3.02Å; K20-R22 PolarHBondContact O-N 3.45Å; R22-H24 VanDerWaalsContact C-N 3.34Å; R22-Q25 PolarHBondContact O-N 3.16Å; R22-G26 PolarHBondContact O-N 2.9Å; R22-E60 HydrophobicContact CB-CG 3.93Å; R22-E60 IonicContact CZ-OE1 3.43Å; R22-E60 IonicContact NE-OE1 3.45Å; R22-E60 PolarHBondContact NE-OE1 2.99Å; R22-E60 IonicContact NH2-OE1 2.76Å; R22-E60 PolarHBondContact NH2-OE1 3.3Å |
| 23 | M | 91.9 | Very high | 92.3 | Very high | 11 Ų | 11 | 59 Ų | 59 | 5% | 0.054 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.2 | -38.6 | 175.6 | -68.7 | -167.5 | 82.3 | 0 | 0 | 111.6 | I15 R19 K20 G26 I27 F61 P284 | I15-M23 HydrophobicContact CD1-CE 4.3Å; I15-M23 HydrophobicContact CD1-SD 3.63Å; I15-M23 HydrophobicContact CG1-SD 4.1Å; I15-M23 HydrophobicContact CG2-SD 3.89Å; R19-M23 WeakPolarHBondContact O-CG 3.44Å; R19-M23 PolarHBondContact O-N 3Å; K20-M23 PolarHBondContact O-N 2.99Å; M23-G26 PolarHBondContact O-N 2.82Å; M23-I27 WeakPolarHBondContact O-CB 3.46Å; M23-I27 WeakPolarHBondContact O-CG1 3.35Å; M23-I27 PolarHBondContact O-N 3.15Å; M23-F61 HydrophobicContact CE-CD1 4.28Å; M23-F61 HydrophobicContact CE-CE1 3.99Å; M23-P284 HydrophobicContact CE-CB 4.36Å; M23-P284 HydrophobicContact CE-CG 3.59Å; M23-P284 HydrophobicContact SD-CG 4.25Å |
| 24 | H | 92.1 | Very high | 92.9 | Very high | 47 Ų | 47 | 58.5 Ų | 58.5 | 22% | 0.218 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.3 | -52.3 | 172.9 | 168.1 | -112 | 0 | 0 | 0 | 110.7 | K20 E21 R22 G26 I27 V28 F295 | K20-H24 VanDerWaalsContact O-CB 3.22Å; K20-H24 WeakPolarHBondContact O-CB 3.22Å; K20-H24 PolarHBondContact O-N 3.12Å; E21-H24 WeakPolarHBondContact O-CB 3.38Å; E21-H24 PolarHBondContact O-N 2.94Å; E21-H24 IonicContact OE1-ND1 3.98Å; R22-H24 VanDerWaalsContact C-N 3.34Å; H24-G26 VanDerWaalsContact C-N 3.31Å; H24-G26 PolarHBondContact O-N 3.19Å; H24-I27 PolarHBondContact O-N 2.66Å; H24-V28 WeakPolarHBondContact NE2-CG2 3.36Å; H24-V28 WeakPolarHBondContact O-CB 3.43Å; H24-V28 VanDerWaalsContact O-CG2 3.28Å; H24-V28 WeakPolarHBondContact O-CG2 3.5Å; H24-V28 PolarHBondContact O-N 3.2Å; H24-F295 AromaticContact CD2-CD2 3.23Å; H24-F295 WeakPolarHBondContact CD2-CD2 3.48Å; H24-F295 AromaticContact CD2-CE2 3.34Å; H24-F295 WeakPolarHBondContact CD2-CE2 3.23Å; H24-F295 AromaticContact CD2-CG 3.82Å; H24-F295 AromaticContact NE2-CD1 3.9Å; H24-F295 AromaticContact NE2-CD2 3.33Å; H24-F295 VanDerWaalsContact NE2-CD2 3.33Å; H24-F295 WeakPolarHBondContact NE2-CD2 3.42Å; H24-F295 AromaticContact NE2-CE1 3.68Å; H24-F295 AromaticContact NE2-CE2 3.05Å; H24-F295 WeakPolarHBondContact NE2-CE2 3.05Å; H24-F295 AromaticContact NE2-CG 3.73Å; H24-F295 AromaticContact NE2-CZ 3.23Å; H24-F295 WeakPolarHBondContact NE2-CZ 3.34Å |
| 25 | Q | 94.9 | Very high | 93.6 | Very high | 84 Ų | 84 | 54.4 Ų | 54.4 | 39% | 0.393 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58.7 | -41.4 | 178.3 | -67.7 | 170.3 | 8.9 | 0 | 0 | 112.7 | E21 R22 R29 | E21-Q25 VanDerWaalsContact O-CG 3.31Å; E21-Q25 WeakPolarHBondContact O-CG 3.41Å; E21-Q25 PolarHBondContact O-N 3.21Å; E21-Q25 PolarHBondContact OE1-NE2 3.26Å; R22-Q25 PolarHBondContact O-N 3.16Å; Q25-R29 WeakPolarHBondContact O-CB 3.33Å; Q25-R29 VanDerWaalsContact O-CG 3.31Å; Q25-R29 WeakPolarHBondContact O-CG 3.37Å; Q25-R29 PolarHBondContact O-N 3.09Å |
| 26 | G | 96.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.5 | -44.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | R22 M23 H24 R29 A30 D58 | R22-G26 PolarHBondContact O-N 2.9Å; M23-G26 PolarHBondContact O-N 2.82Å; H24-G26 VanDerWaalsContact C-N 3.31Å; H24-G26 PolarHBondContact O-N 3.19Å; G26-R29 PolarHBondContact O-N 3.16Å; G26-A30 PolarHBondContact O-N 3.39Å; G26-D58 WeakPolarHBondContact CA-OD2 3.46Å |
| 27 | I | 96.2 | Very high | 94.7 | Very high | 4 Ų | 4 | 53.5 Ų | 53.5 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.1 | -41.9 | 176.9 | -78.7 | -64.1 | 0 | 0 | 0 | 111.5 | V7 M23 H24 A30 A31 L55 F61 P284 W285 A286 | V7-I27 HydrophobicContact CG2-CD1 4.2Å; V7-I27 HydrophobicContact CG2-CG2 4.09Å; M23-I27 WeakPolarHBondContact O-CB 3.46Å; M23-I27 WeakPolarHBondContact O-CG1 3.35Å; M23-I27 PolarHBondContact O-N 3.15Å; H24-I27 PolarHBondContact O-N 2.66Å; I27-A30 PolarHBondContact O-N 2.73Å; I27-A31 PolarHBondContact O-N 2.99Å; I27-L55 HydrophobicContact CD1-CD1 4.48Å; I27-L55 HydrophobicContact CD1-CD2 4.3Å; I27-F61 HydrophobicContact CD1-CE1 3.89Å; I27-F61 HydrophobicContact CD1-CZ 4.29Å; I27-F61 HydrophobicContact CG1-CE1 3.84Å; I27-F61 HydrophobicContact CG1-CZ 3.89Å; I27-P284 HydrophobicContact CD1-CB 4.41Å; I27-P284 HydrophobicContact CG1-CB 3.91Å; I27-W285 VanDerWaalsContact CG2-C 3.41Å; I27-W285 WeakPolarHBondContact CG2-O 3.31Å; I27-A286 HydrophobicContact CG2-CB 3.27Å |
| 28 | V | 96.9 | Very high | 95.3 | Very high | 33 Ų | 33 | 44.9 Ų | 44.9 | 20% | 0.2 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.4 | -44.7 | 174.7 | 165.3 | 0 | 0 | 0 | 0 | 111.3 | H24 A30 A31 T32 L293 F295 | H24-V28 WeakPolarHBondContact NE2-CG2 3.36Å; H24-V28 WeakPolarHBondContact O-CB 3.43Å; H24-V28 VanDerWaalsContact O-CG2 3.28Å; H24-V28 WeakPolarHBondContact O-CG2 3.5Å; H24-V28 PolarHBondContact O-N 3.2Å; V28-A30 PolarHBondContact O-N 3.34Å; V28-A31 PolarHBondContact O-N 2.87Å; V28-T32 VanDerWaalsContact O-CB 3.32Å; V28-T32 WeakPolarHBondContact O-CB 3.38Å; V28-T32 PolarHBondContact O-N 3.19Å; V28-T32 PolarHBondContact O-OG1 3.34Å; V28-L293 HydrophobicContact CB-CD2 4.14Å; V28-L293 HydrophobicContact CG1-CD2 3.63Å; V28-L293 HydrophobicContact CG2-CD2 3.84Å; V28-F295 HydrophobicContact CG2-CD1 4.48Å |
| 29 | R | 98.3 | Very high | 96 | Very high | 117 Ų | 117 | 46 Ų | 46 | 44% | 0.442 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -57.7 | -47.9 | 175.1 | -79.7 | -171.6 | -62.8 | -92.6 | 3.7 | 111.3 | Q25 G26 T32 V33 D58 | Q25-R29 WeakPolarHBondContact O-CB 3.33Å; Q25-R29 VanDerWaalsContact O-CG 3.31Å; Q25-R29 WeakPolarHBondContact O-CG 3.37Å; Q25-R29 PolarHBondContact O-N 3.09Å; G26-R29 PolarHBondContact O-N 3.16Å; R29-T32 PolarHBondContact O-N 2.97Å; R29-V33 WeakPolarHBondContact O-CG2 3.28Å; R29-V33 PolarHBondContact O-N 2.93Å; R29-D58 IonicContact CZ-OD2 2.67Å; R29-D58 IonicContact NH2-OD2 3.58Å; R29-D58 PolarHBondContact NH2-OD2 3.1Å |
| 30 | A | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.5 | -47.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | V7 G26 I27 V28 T32 V33 G34 A51 A54 L55 | V7-A30 HydrophobicContact CG1-CB 4.4Å; V7-A30 HydrophobicContact CG2-CB 4.43Å; G26-A30 PolarHBondContact O-N 3.39Å; I27-A30 PolarHBondContact O-N 2.73Å; V28-A30 PolarHBondContact O-N 3.34Å; A30-T32 VanDerWaalsContact C-N 3.31Å; A30-T32 PolarHBondContact O-N 3.06Å; A30-V33 PolarHBondContact O-N 3.24Å; A30-G34 PolarHBondContact O-N 3.45Å; A30-A51 WeakPolarHBondContact CB-O 3.43Å; A30-A51 WeakPolarHBondContact O-CB 3.43Å; A30-A54 HydrophobicContact CB-CB 4.36Å; A30-L55 HydrophobicContact CB-CD1 3.94Å; A30-L55 HydrophobicContact CB-CD2 3.6Å; A30-L55 HydrophobicContact CB-CG 3.56Å |
| 31 | A | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.4 | -39.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | V5 V7 I27 V28 Y35 A286 L293 | V5-A31 WeakPolarHBondContact CG1-O 3.4Å; V7-A31 HydrophobicContact CG2-CB 3.97Å; I27-A31 PolarHBondContact O-N 2.99Å; V28-A31 PolarHBondContact O-N 2.87Å; A31-Y35 VanDerWaalsContact O-CB 3.24Å; A31-Y35 WeakPolarHBondContact O-CB 3.45Å; A31-Y35 PolarHBondContact O-N 3.43Å; A31-A286 HydrophobicContact CB-CB 3.87Å; A31-L293 HydrophobicContact CB-CD1 3.7Å |
| 32 | T | 98.3 | Very high | 97.1 | Very high | 56 Ų | 56 | 48 Ų | 48 | 34% | 0.344 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.7 | -43.4 | 178.8 | -57 | 0 | 0 | 0 | 0 | 111.7 | V28 R29 A30 Y35 G36 L307 | V28-T32 VanDerWaalsContact O-CB 3.32Å; V28-T32 WeakPolarHBondContact O-CB 3.38Å; V28-T32 PolarHBondContact O-N 3.19Å; V28-T32 PolarHBondContact O-OG1 3.34Å; R29-T32 PolarHBondContact O-N 2.97Å; A30-T32 VanDerWaalsContact C-N 3.31Å; A30-T32 PolarHBondContact O-N 3.06Å; T32-Y35 PolarHBondContact O-N 3.25Å; T32-G36 PolarHBondContact O-N 3.14Å; T32-L307 HydrophobicContact CG2-CD2 4.28Å |
| 33 | V | 98.7 | Very high | 97.4 | Very high | 64 Ų | 64 | 44.7 Ų | 44.7 | 39% | 0.388 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.3 | -52 | 175.8 | 169.2 | 0 | 0 | 0 | 0 | 110.5 | R29 A30 Y35 G36 I37 A54 | R29-V33 WeakPolarHBondContact O-CG2 3.28Å; R29-V33 PolarHBondContact O-N 2.93Å; A30-V33 PolarHBondContact O-N 3.24Å; V33-Y35 VanDerWaalsContact C-N 3.34Å; V33-Y35 PolarHBondContact O-N 3.34Å; V33-G36 PolarHBondContact O-N 3.18Å; V33-I37 HydrophobicContact CG1-CD1 4.42Å; V33-I37 PolarHBondContact O-N 3.11Å; V33-A54 HydrophobicContact CG2-CB 4.4Å |
| 34 | G | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60 | -43.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A30 I37 L38 A47 | A30-G34 PolarHBondContact O-N 3.45Å; G34-I37 PolarHBondContact O-N 2.95Å; G34-L38 WeakPolarHBondContact O-CG 3.43Å; G34-L38 PolarHBondContact O-N 2.8Å; G34-A47 WeakPolarHBondContact CA-O 3.48Å; G34-A47 WeakPolarHBondContact O-CB 3.42Å |
| 35 | Y | 98.6 | Very high | 98 | Very high | 18 Ų | 18 | 42.2 Ų | 42.2 | 7% | 0.071 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -71.2 | -33.1 | 179.7 | -163.1 | -113.5 | 0 | 0 | 0 | 112.7 | V5 A31 T32 V33 L38 R39 A288 D290 G291 L307 | V5-Y35 HydrophobicContact CG1-CD2 4.33Å; A31-Y35 VanDerWaalsContact O-CB 3.24Å; A31-Y35 WeakPolarHBondContact O-CB 3.45Å; A31-Y35 PolarHBondContact O-N 3.43Å; T32-Y35 PolarHBondContact O-N 3.25Å; V33-Y35 VanDerWaalsContact C-N 3.34Å; V33-Y35 PolarHBondContact O-N 3.34Å; Y35-L38 HydrophobicContact CD2-CD1 4.5Å; Y35-L38 PolarHBondContact O-N 3.07Å; Y35-R39 HydrophobicContact CD1-CG 3.92Å; Y35-R39 HydrophobicContact CE1-CG 3.74Å; Y35-R39 WeakPolarHBondContact O-CG 3.36Å; Y35-R39 PolarHBondContact O-N 3.36Å; Y35-A288 HydrophobicContact CD1-CB 4.18Å; Y35-A288 HydrophobicContact CD2-CB 3.69Å; Y35-A288 WeakPolarHBondContact CD2-O 3.33Å; Y35-A288 HydrophobicContact CE2-CB 4.39Å; Y35-A288 WeakPolarHBondContact CE2-O 3.43Å; Y35-A288 HydrophobicContact CG-CB 3.58Å; Y35-D290 PolarHBondContact OH-N 2.66Å; Y35-G291 PolarHBondContact OH-N 3.09Å; Y35-L307 HydrophobicContact CD1-CD1 4.01Å; Y35-L307 HydrophobicContact CD1-CD2 4.33Å; Y35-L307 HydrophobicContact CE1-CD1 4.24Å |
| 36 | G | 98.4 | Very high | 98.2 | Very high | 26 Ų | 26 | 40.6 Ų | 40.6 | 27% | 0.268 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -57.5 | -48.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | T32 V33 L38 R39 E40 | T32-G36 PolarHBondContact O-N 3.14Å; V33-G36 PolarHBondContact O-N 3.18Å; G36-L38 VanDerWaalsContact C-N 3.32Å; G36-L38 PolarHBondContact O-N 3.47Å; G36-R39 PolarHBondContact O-N 3.17Å; G36-E40 WeakPolarHBondContact O-CG 3.37Å; G36-E40 PolarHBondContact O-N 2.88Å; G36-E40 VanDerWaalsContact O-N 3.13Å |
| 37 | I | 98.8 | Very high | 98.3 | Very high | 44 Ų | 44 | 40.5 Ų | 40.5 | 23% | 0.226 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.5 | -45.6 | 175.4 | -66.7 | 168.3 | 0 | 0 | 0 | 111 | V33 G34 E40 G41 G42 D46 A47 | V33-I37 HydrophobicContact CG1-CD1 4.42Å; V33-I37 PolarHBondContact O-N 3.11Å; G34-I37 PolarHBondContact O-N 2.95Å; I37-E40 PolarHBondContact O-N 3.46Å; I37-G41 PolarHBondContact O-N 2.83Å; I37-G42 WeakPolarHBondContact O-CA 3.19Å; I37-G42 PolarHBondContact O-N 2.95Å; I37-D46 WeakPolarHBondContact CD1-O 3.44Å; I37-D46 HydrophobicContact CG2-CB 3.66Å; I37-A47 HydrophobicContact CB-CB 4.47Å; I37-A47 HydrophobicContact CG2-CB 4.3Å |
| 38 | L | 98.6 | Very high | 98.5 | Very high | 4 Ų | 4 | 40.3 Ų | 40.3 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.3 | -38.8 | 178.8 | -66.6 | 176.4 | 0 | 0 | 0 | 112.9 | P3 I4 V5 G34 Y35 G36 E40 G41 A47 A173 D175 | P3-L38 HydrophobicContact CB-CB 3.73Å; P3-L38 HydrophobicContact CB-CD1 3.95Å; P3-L38 HydrophobicContact CB-CG 4.27Å; P3-L38 HydrophobicContact CG-CB 4.45Å; I4-L38 WeakPolarHBondContact O-CD1 3.26Å; V5-L38 HydrophobicContact CB-CD1 4.03Å; G34-L38 WeakPolarHBondContact O-CG 3.43Å; G34-L38 PolarHBondContact O-N 2.8Å; Y35-L38 HydrophobicContact CD2-CD1 4.5Å; Y35-L38 PolarHBondContact O-N 3.07Å; G36-L38 VanDerWaalsContact C-N 3.32Å; G36-L38 PolarHBondContact O-N 3.47Å; L38-E40 VanDerWaalsContact C-N 3.26Å; L38-E40 PolarHBondContact O-N 3.05Å; L38-G41 PolarHBondContact O-N 2.81Å; L38-G41 VanDerWaalsContact O-N 3.1Å; L38-A47 HydrophobicContact CD1-CB 4.12Å; L38-A47 HydrophobicContact CD2-CB 3.61Å; L38-A47 HydrophobicContact CG-CB 3.59Å; L38-A173 HydrophobicContact CD1-CB 4.3Å; L38-D175 HydrophobicContact CD2-CB 3.92Å |
| 39 | R | 97.6 | Very high | 98.6 | Very high | 148 Ų | 148 | 40.2 Ų | 40.2 | 56% | 0.558 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -63.9 | -31.9 | 177 | -77.9 | 179.3 | 71 | 176 | 1.9 | 112.6 | Y35 G36 G41 P308 | Y35-R39 HydrophobicContact CD1-CG 3.92Å; Y35-R39 HydrophobicContact CE1-CG 3.74Å; Y35-R39 WeakPolarHBondContact O-CG 3.36Å; Y35-R39 PolarHBondContact O-N 3.36Å; G36-R39 PolarHBondContact O-N 3.17Å; R39-G41 PolarHBondContact O-N 2.95Å; R39-P308 PolarHBondContact NH1-O 3.36Å |
| 40 | E | 97.9 | Very high | 98.6 | Very high | 174 Ų | 174 | 35.3 Ų | 35.3 | 81% | 0.813 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | 0.7 | 176.7 | -67.2 | 178.6 | -179.6 | 0 | 0 | 113 | G36 I37 L38 | G36-E40 WeakPolarHBondContact O-CG 3.37Å; G36-E40 PolarHBondContact O-N 2.88Å; G36-E40 VanDerWaalsContact O-N 3.13Å; I37-E40 PolarHBondContact O-N 3.46Å; L38-E40 VanDerWaalsContact C-N 3.26Å; L38-E40 PolarHBondContact O-N 3.05Å |
| 41 | G | 98.1 | Very high | 98.6 | Very high | 49 Ų | 49 | 35.3 Ų | 35.3 | 51% | 0.505 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.3 | 15.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | I37 L38 R39 | I37-G41 PolarHBondContact O-N 2.83Å; L38-G41 PolarHBondContact O-N 2.81Å; L38-G41 VanDerWaalsContact O-N 3.1Å; R39-G41 PolarHBondContact O-N 2.95Å |
| 42 | G | 98.6 | Very high | 98.6 | Very high | 22 Ų | 22 | 35.3 Ų | 35.3 | 23% | 0.227 | 20% | 0.204 | C | C | . | . | trans | -64 | 167.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | I37 | I37-G42 WeakPolarHBondContact O-CA 3.19Å; I37-G42 PolarHBondContact O-N 2.95Å | ||
| 43 | S | 98.9 | Very high | 98.7 | Very high | 37 Ų | 37 | 34 Ų | 34 | 26% | 0.259 | 20% | 0.195 | S | C | . | . | trans | -80.5 | 162.9 | -178.3 | 71.6 | 0 | 0 | 0 | 0 | 112.7 | V45 D46 A47 | S43-V45 PolarHBondContact O-N 3.13Å; S43-D46 WeakPolarHBondContact CB-OD2 3.46Å; S43-D46 PolarHBondContact N-OD2 2.96Å; S43-D46 VanDerWaalsContact N-OD2 3.12Å; S43-D46 PolarHBondContact O-N 2.89Å; S43-D46 PolarHBondContact OG-N 3.3Å; S43-D46 VanDerWaalsContact OG-N 3.11Å; S43-D46 PolarHBondContact OG-OD2 2.92Å; S43-A47 PolarHBondContact O-N 3.13Å; S43-A47 VanDerWaalsContact O-N 3.08Å | ||
| 44 | A | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.008 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.9 | -38.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A47 V48 A173 D175 N179 A181 | A44-A47 PolarHBondContact O-N 3.11Å; A44-V48 WeakPolarHBondContact O-CG2 3.47Å; A44-V48 PolarHBondContact O-N 2.91Å; A44-A173 HydrophobicContact CB-CB 4.21Å; A44-D175 HydrophobicContact CB-CB 4.07Å; A44-D175 PolarHBondContact N-OD2 3.04Å; A44-N179 WeakPolarHBondContact CB-O 3.3Å; A44-A181 HydrophobicContact CB-CB 3.71Å |
| 45 | V | 98.9 | Very high | 98.7 | Very high | 5 Ų | 5 | 32.1 Ų | 32.1 | 3% | 0.03 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.7 | -47.2 | 176.6 | 176.4 | 0 | 0 | 0 | 0 | 111.1 | S43 A47 V48 E49 I81 D83 M109 A181 | S43-V45 PolarHBondContact O-N 3.13Å; V45-A47 VanDerWaalsContact C-N 3.29Å; V45-A47 PolarHBondContact O-N 2.8Å; V45-V48 WeakPolarHBondContact O-CG2 3.34Å; V45-V48 PolarHBondContact O-N 2.83Å; V45-E49 WeakPolarHBondContact O-CB 3.34Å; V45-E49 PolarHBondContact O-N 2.71Å; V45-I81 HydrophobicContact CG1-CD1 3.79Å; V45-I81 HydrophobicContact CG1-CG1 4.46Å; V45-D83 HydrophobicContact CG2-CB 3.75Å; V45-M109 HydrophobicContact CG1-CE 4.01Å; V45-A181 HydrophobicContact CG2-CB 3.93Å |
| 46 | D | 98.9 | Very high | 98.7 | Very high | 49 Ų | 49 | 31.2 Ų | 31.2 | 26% | 0.262 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -61.2 | -41 | 177.8 | -58.5 | -43.6 | 0 | 0 | 0 | 111.2 | I37 S43 G50 R106 | I37-D46 WeakPolarHBondContact CD1-O 3.44Å; I37-D46 HydrophobicContact CG2-CB 3.66Å; S43-D46 WeakPolarHBondContact CB-OD2 3.46Å; S43-D46 PolarHBondContact N-OD2 2.96Å; S43-D46 VanDerWaalsContact N-OD2 3.12Å; S43-D46 PolarHBondContact O-N 2.89Å; S43-D46 PolarHBondContact OG-N 3.3Å; S43-D46 VanDerWaalsContact OG-N 3.11Å; S43-D46 PolarHBondContact OG-OD2 2.92Å; D46-G50 PolarHBondContact O-N 3.23Å; D46-R106 IonicContact OD1-CZ 3.2Å; D46-R106 IonicContact OD1-NH1 2.65Å; D46-R106 PolarHBondContact OD1-NH1 2.86Å; D46-R106 IonicContact OD1-NH2 2.89Å; D46-R106 PolarHBondContact OD1-NH2 2.85Å |
| 47 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.4 | -45.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | G34 I37 L38 S43 A44 V45 A51 A173 | G34-A47 WeakPolarHBondContact CA-O 3.48Å; G34-A47 WeakPolarHBondContact O-CB 3.42Å; I37-A47 HydrophobicContact CB-CB 4.47Å; I37-A47 HydrophobicContact CG2-CB 4.3Å; L38-A47 HydrophobicContact CD1-CB 4.12Å; L38-A47 HydrophobicContact CD2-CB 3.61Å; L38-A47 HydrophobicContact CG-CB 3.59Å; S43-A47 PolarHBondContact O-N 3.13Å; S43-A47 VanDerWaalsContact O-N 3.08Å; A44-A47 PolarHBondContact O-N 3.11Å; V45-A47 VanDerWaalsContact C-N 3.29Å; V45-A47 PolarHBondContact O-N 2.8Å; A47-A51 WeakPolarHBondContact O-CB 3.15Å; A47-A51 PolarHBondContact O-N 3.27Å; A47-A173 HydrophobicContact CB-CB 4.13Å |
| 48 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -72.2 | -36.6 | 179 | -60.7 | 0 | 0 | 0 | 0 | 112.1 | A44 V45 V52 I81 A171 A173 A181 A183 | A44-V48 WeakPolarHBondContact O-CG2 3.47Å; A44-V48 PolarHBondContact O-N 2.91Å; V45-V48 WeakPolarHBondContact O-CG2 3.34Å; V45-V48 PolarHBondContact O-N 2.83Å; V48-V52 WeakPolarHBondContact O-CB 3.31Å; V48-V52 WeakPolarHBondContact O-CG2 3.37Å; V48-V52 PolarHBondContact O-N 2.82Å; V48-I81 HydrophobicContact CG2-CD1 4.16Å; V48-I81 HydrophobicContact CG2-CG1 4.27Å; V48-A171 HydrophobicContact CB-CB 3.95Å; V48-A171 HydrophobicContact CG1-CB 4.03Å; V48-A173 HydrophobicContact CG1-CB 3.61Å; V48-A181 HydrophobicContact CG1-CB 4.43Å; V48-A181 HydrophobicContact CG2-CB 3.91Å; V48-A183 HydrophobicContact CB-CB 3.76Å; V48-A183 HydrophobicContact CG2-CB 3.74Å |
| 49 | E | 98.9 | Very high | 98.6 | Very high | 30 Ų | 30 | 35.8 Ų | 35.8 | 14% | 0.14 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.7 | -52.3 | 172.1 | -176.1 | -170.2 | -147.6 | 0 | 0 | 110.1 | V45 A51 V52 V53 I81 I102 K103 R106 | V45-E49 WeakPolarHBondContact O-CB 3.34Å; V45-E49 PolarHBondContact O-N 2.71Å; E49-A51 VanDerWaalsContact C-N 3.33Å; E49-A51 PolarHBondContact O-N 2.69Å; E49-V52 PolarHBondContact O-N 3.22Å; E49-V53 HydrophobicContact CG-CG2 4.22Å; E49-V53 WeakPolarHBondContact O-CB 3.46Å; E49-V53 VanDerWaalsContact O-CG2 3.29Å; E49-V53 WeakPolarHBondContact O-CG2 3.13Å; E49-V53 PolarHBondContact O-N 2.87Å; E49-I81 HydrophobicContact CB-CD1 4.03Å; E49-I102 HydrophobicContact CG-CG2 4.33Å; E49-K103 HydrophobicContact CG-CG 4.46Å; E49-K103 WeakPolarHBondContact OE1-CG 3.49Å; E49-R106 VanDerWaalsContact OE1-CD 3.29Å; E49-R106 WeakPolarHBondContact OE1-CD 3.32Å; E49-R106 WeakPolarHBondContact OE2-CD 3.48Å; E49-R106 IonicContact OE2-CZ 3.41Å; E49-R106 IonicContact OE2-NE 3.17Å; E49-R106 IonicContact OE2-NH1 3.25Å; E49-R106 PolarHBondContact OE2-NH1 3.07Å |
| 50 | G | 98.9 | Very high | 98.5 | Very high | 15 Ų | 15 | 30.1 Ų | 30.1 | 16% | 0.155 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.5 | -41.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | D46 A54 | D46-G50 PolarHBondContact O-N 3.23Å; G50-A54 PolarHBondContact O-N 3.06Å; G50-A54 VanDerWaalsContact O-N 3.15Å |
| 51 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.7 | -44.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V7 A30 A47 E49 A54 L55 A171 | V7-A51 HydrophobicContact CG1-CB 3.84Å; A30-A51 WeakPolarHBondContact CB-O 3.43Å; A30-A51 WeakPolarHBondContact O-CB 3.43Å; A47-A51 WeakPolarHBondContact O-CB 3.15Å; A47-A51 PolarHBondContact O-N 3.27Å; E49-A51 VanDerWaalsContact C-N 3.33Å; E49-A51 PolarHBondContact O-N 2.69Å; A51-A54 PolarHBondContact O-N 3.44Å; A51-L55 PolarHBondContact O-N 3.44Å; A51-A171 HydrophobicContact CB-CB 3.92Å |
| 52 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -71.4 | -36.6 | 179.6 | 173.7 | 0 | 0 | 0 | 0 | 111.7 | V48 E49 A54 L55 E56 I102 V169 A171 A183 | V48-V52 WeakPolarHBondContact O-CB 3.31Å; V48-V52 WeakPolarHBondContact O-CG2 3.37Å; V48-V52 PolarHBondContact O-N 2.82Å; E49-V52 PolarHBondContact O-N 3.22Å; V52-A54 VanDerWaalsContact C-N 3.3Å; V52-A54 PolarHBondContact O-N 3.06Å; V52-L55 CarbonylContact O-C 3.55Å; V52-L55 PolarHBondContact O-N 3.14Å; V52-E56 HydrophobicContact CG1-CG 4.2Å; V52-E56 WeakPolarHBondContact O-CG 3.45Å; V52-E56 PolarHBondContact O-N 3.22Å; V52-I102 HydrophobicContact CB-CB 4.5Å; V52-I102 HydrophobicContact CB-CG1 4.23Å; V52-I102 HydrophobicContact CB-CG2 4.29Å; V52-I102 HydrophobicContact CG1-CB 3.85Å; V52-I102 HydrophobicContact CG1-CD1 4.45Å; V52-I102 HydrophobicContact CG1-CG1 3.94Å; V52-I102 HydrophobicContact CG1-CG2 3.93Å; V52-V169 HydrophobicContact CG1-CG2 4.24Å; V52-A171 HydrophobicContact CG2-CB 3.97Å; V52-A183 HydrophobicContact CB-CB 4.27Å; V52-A183 HydrophobicContact CG2-CB 3.64Å |
| 53 | V | 98.9 | Very high | 98.4 | Very high | 27 Ų | 27 | 19 Ų | 19 | 16% | 0.164 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -57.3 | -44.7 | 172.5 | 168 | 0 | 0 | 0 | 0 | 110.8 | E49 L55 E56 D57 I102 K103 | E49-V53 HydrophobicContact CG-CG2 4.22Å; E49-V53 WeakPolarHBondContact O-CB 3.46Å; E49-V53 VanDerWaalsContact O-CG2 3.29Å; E49-V53 WeakPolarHBondContact O-CG2 3.13Å; E49-V53 PolarHBondContact O-N 2.87Å; V53-L55 PolarHBondContact O-N 2.62Å; V53-E56 PolarHBondContact O-N 3.03Å; V53-E56 VanDerWaalsContact O-N 3.16Å; V53-D57 PolarHBondContact O-N 3.37Å; V53-I102 HydrophobicContact CG2-CG2 3.61Å; V53-K103 HydrophobicContact CG2-CD 3.91Å; V53-K103 HydrophobicContact CG2-CG 3.67Å |
| 54 | A | 98.8 | Very high | 98.4 | Very high | 25 Ų | 25 | 17.2 Ų | 17.2 | 21% | 0.207 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60.6 | -29.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | A30 V33 G50 A51 V52 | A30-A54 HydrophobicContact CB-CB 4.36Å; V33-A54 HydrophobicContact CG2-CB 4.4Å; G50-A54 PolarHBondContact O-N 3.06Å; G50-A54 VanDerWaalsContact O-N 3.15Å; A51-A54 PolarHBondContact O-N 3.44Å; V52-A54 VanDerWaalsContact C-N 3.3Å; V52-A54 PolarHBondContact O-N 3.06Å |
| 55 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -84.6 | -32.4 | 175.8 | -63.3 | 175.2 | 0 | 0 | 0 | 112.8 | I27 A30 A51 V52 V53 D57 D58 F61 V169 | I27-L55 HydrophobicContact CD1-CD1 4.48Å; I27-L55 HydrophobicContact CD1-CD2 4.3Å; A30-L55 HydrophobicContact CB-CD1 3.94Å; A30-L55 HydrophobicContact CB-CD2 3.6Å; A30-L55 HydrophobicContact CB-CG 3.56Å; A51-L55 PolarHBondContact O-N 3.44Å; V52-L55 CarbonylContact O-C 3.55Å; V52-L55 PolarHBondContact O-N 3.14Å; V53-L55 PolarHBondContact O-N 2.62Å; L55-D57 VanDerWaalsContact C-N 3.31Å; L55-D58 PolarHBondContact O-N 3.15Å; L55-F61 HydrophobicContact CD2-CD1 4.12Å; L55-F61 HydrophobicContact CD2-CD2 4Å; L55-F61 HydrophobicContact CD2-CE1 3.91Å; L55-F61 HydrophobicContact CD2-CE2 3.81Å; L55-F61 HydrophobicContact CD2-CG 4.16Å; L55-F61 HydrophobicContact CD2-CZ 3.75Å; L55-V169 HydrophobicContact CB-CB 4.06Å; L55-V169 HydrophobicContact CB-CG1 4.05Å; L55-V169 HydrophobicContact CB-CG2 3.99Å; L55-V169 HydrophobicContact CD1-CB 3.75Å; L55-V169 HydrophobicContact CD1-CG1 4.14Å; L55-V169 HydrophobicContact CD1-CG2 4.37Å |
| 56 | E | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -66.7 | -32.9 | 173.1 | -75.7 | -179.8 | 157.8 | 0 | 0 | 112.5 | V52 V53 D58 A63 G64 C65 N100 P101 I102 S185 | V52-E56 HydrophobicContact CG1-CG 4.2Å; V52-E56 WeakPolarHBondContact O-CG 3.45Å; V52-E56 PolarHBondContact O-N 3.22Å; V53-E56 PolarHBondContact O-N 3.03Å; V53-E56 VanDerWaalsContact O-N 3.16Å; E56-D58 VanDerWaalsContact C-N 3.3Å; E56-A63 HydrophobicContact CG-CB 3.94Å; E56-G64 CarbonylContact O-C 3.55Å; E56-G64 WeakPolarHBondContact O-CA 3.49Å; E56-C65 PolarHBondContact O-N 3.43Å; E56-N100 WeakPolarHBondContact OE2-CA 3.42Å; E56-N100 WeakPolarHBondContact OE2-CB 3.39Å; E56-N100 PolarHBondContact OE2-ND2 2.96Å; E56-P101 VanDerWaalsContact OE1-CD 3.3Å; E56-P101 WeakPolarHBondContact OE1-CD 3.45Å; E56-I102 WeakPolarHBondContact OE1-CB 3.36Å; E56-I102 PolarHBondContact OE1-N 3.25Å; E56-I102 WeakPolarHBondContact OE2-CG2 3.29Å; E56-S185 VanDerWaalsContact OE1-CB 3.27Å; E56-S185 WeakPolarHBondContact OE1-CB 3.17Å; E56-S185 PolarHBondContact OE1-OG 2.99Å |
| 57 | D | 98.7 | Very high | 98.2 | Very high | 90 Ų | 90 | 16.3 Ų | 16.3 | 48% | 0.481 | 10% | 0.099 | S | C | . | . | S | Bend | trans | -81.4 | -11.4 | 178.2 | -68.7 | -13.7 | 0 | 0 | 0 | 112.5 | V53 L55 P59 N100 | V53-D57 PolarHBondContact O-N 3.37Å; L55-D57 VanDerWaalsContact C-N 3.31Å; D57-P59 WeakPolarHBondContact O-CD 3.48Å; D57-N100 PolarHBondContact OD1-ND2 3.41Å |
| 58 | D | 98 | Very high | 98.1 | Very high | 16 Ų | 16 | 16.3 Ų | 16.3 | 9% | 0.086 | 10% | 0.099 | C | C | . | . | trans | -96.1 | 111.4 | -177.9 | -173.1 | -24.8 | 0 | 0 | 0 | 112 | G26 R29 L55 E56 E60 F61 | G26-D58 WeakPolarHBondContact CA-OD2 3.46Å; R29-D58 IonicContact CZ-OD2 2.67Å; R29-D58 IonicContact NH2-OD2 3.58Å; R29-D58 PolarHBondContact NH2-OD2 3.1Å; L55-D58 PolarHBondContact O-N 3.15Å; E56-D58 VanDerWaalsContact C-N 3.3Å; D58-E60 PolarHBondContact O-N 3.32Å; D58-E60 WeakPolarHBondContact OD1-CB 3.2Å; D58-E60 PolarHBondContact OD1-N 3.44Å; D58-F61 HydrophobicContact CB-CD2 3.76Å; D58-F61 HydrophobicContact CB-CE2 4.16Å; D58-F61 PolarHBondContact O-N 3.46Å; D58-F61 WeakPolarHBondContact OD2-CE2 3.34Å | ||
| 59 | P | 96.8 | Very high | 98 | Very high | 63 Ų | 63 | 16.5 Ų | 16.5 | 41% | 0.409 | 10% | 0.1 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -5 | -174.4 | 28.8 | -36.8 | 0 | 0 | 0 | 114.9 | D57 F61 C65 T141 K143 | D57-P59 WeakPolarHBondContact O-CD 3.48Å; P59-F61 VanDerWaalsContact C-N 3.35Å; P59-C65 WeakPolarHBondContact CA-O 3.47Å; P59-T141 HydrophobicContact CB-CG2 4.11Å; P59-K143 PolarHBondContact O-NZ 3.32Å |
| 60 | E | 95.3 | Very high | 98 | Very high | 29 Ų | 29 | 15.1 Ų | 15.1 | 14% | 0.136 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -22.2 | 171.4 | -77.2 | -62.8 | 169 | 0 | 0 | 114.3 | R19 R22 D58 K143 | R19-E60 IonicContact CZ-OE2 3.17Å; R19-E60 IonicContact NE-OE2 3.53Å; R19-E60 PolarHBondContact NE-OE2 2.92Å; R19-E60 PolarHBondContact NH2-O 2.9Å; R19-E60 VanDerWaalsContact NH2-O 3.12Å; R19-E60 IonicContact NH2-OE2 3.06Å; R19-E60 PolarHBondContact NH2-OE2 2.88Å; R19-E60 VanDerWaalsContact NH2-OE2 3.17Å; R22-E60 HydrophobicContact CB-CG 3.93Å; R22-E60 IonicContact CZ-OE1 3.43Å; R22-E60 IonicContact NE-OE1 3.45Å; R22-E60 PolarHBondContact NE-OE1 2.99Å; R22-E60 IonicContact NH2-OE1 2.76Å; R22-E60 PolarHBondContact NH2-OE1 3.3Å; D58-E60 PolarHBondContact O-N 3.32Å; D58-E60 WeakPolarHBondContact OD1-CB 3.2Å; D58-E60 PolarHBondContact OD1-N 3.44Å; E60-K143 PolarHBondContact O-NZ 3.18Å; E60-K143 IonicContact OE2-NZ 3.62Å; E60-K143 PolarHBondContact OE2-NZ 3.49Å |
| 61 | F | 96.8 | Very high | 97.9 | Very high | 5 Ų | 5 | 16.7 Ų | 16.7 | 2% | 0.022 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -99.2 | 159.6 | -176.6 | -61.7 | -91.2 | 0 | 0 | 0 | 112.2 | M23 I27 L55 D58 P59 A63 G66 V169 | M23-F61 HydrophobicContact CE-CD1 4.28Å; M23-F61 HydrophobicContact CE-CE1 3.99Å; I27-F61 HydrophobicContact CD1-CE1 3.89Å; I27-F61 HydrophobicContact CD1-CZ 4.29Å; I27-F61 HydrophobicContact CG1-CE1 3.84Å; I27-F61 HydrophobicContact CG1-CZ 3.89Å; L55-F61 HydrophobicContact CD2-CD1 4.12Å; L55-F61 HydrophobicContact CD2-CD2 4Å; L55-F61 HydrophobicContact CD2-CE1 3.91Å; L55-F61 HydrophobicContact CD2-CE2 3.81Å; L55-F61 HydrophobicContact CD2-CG 4.16Å; L55-F61 HydrophobicContact CD2-CZ 3.75Å; D58-F61 HydrophobicContact CB-CD2 3.76Å; D58-F61 HydrophobicContact CB-CE2 4.16Å; D58-F61 PolarHBondContact O-N 3.46Å; D58-F61 WeakPolarHBondContact OD2-CE2 3.34Å; P59-F61 VanDerWaalsContact C-N 3.35Å; F61-A63 PolarHBondContact O-N 2.95Å; F61-G66 CarbonylContact O-C 3.45Å; F61-G66 VanDerWaalsContact O-C 3.23Å; F61-G66 VanDerWaalsContact O-O 3.06Å; F61-V169 HydrophobicContact CB-CG1 3.69Å; F61-V169 HydrophobicContact CD1-CG1 3.69Å; F61-V169 HydrophobicContact CG-CG1 4Å |
| 62 | N | 97.8 | Very high | 97.8 | Very high | 6 Ų | 6 | 21.8 Ų | 21.8 | 3% | 0.032 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -98.1 | 62.5 | -178.7 | 173.3 | 36.4 | 0 | 0 | 0 | 110.3 | S67 V68 L166 G167 T186 G187 G188 | N62-S67 WeakPolarHBondContact OD1-CA 3.18Å; N62-V68 WeakPolarHBondContact OD1-CG1 3.5Å; N62-V68 WeakPolarHBondContact OD1-CG2 3.29Å; N62-V68 PolarHBondContact OD1-N 3.3Å; N62-L166 HydrophobicContact CB-CB 4.11Å; N62-L166 PolarHBondContact ND2-O 3.37Å; N62-G167 WeakPolarHBondContact CB-O 3.4Å; N62-T186 CarbonylContact O-C 3.08Å; N62-T186 VanDerWaalsContact O-CA 3.3Å; N62-T186 WeakPolarHBondContact O-CA 3.22Å; N62-G187 PolarHBondContact O-N 2.98Å; N62-G187 WeakPolarHBondContact OD1-CA 3.33Å; N62-G188 PolarHBondContact ND2-O 3.28Å |
| 63 | A | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -157.7 | 152.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | E56 F61 C65 S67 V169 | E56-A63 HydrophobicContact CG-CB 3.94Å; F61-A63 PolarHBondContact O-N 2.95Å; A63-C65 PolarHBondContact O-N 3.39Å; A63-S67 VanDerWaalsContact C-OG 3.25Å; A63-S67 WeakPolarHBondContact CA-OG 3.46Å; A63-V169 HydrophobicContact CB-CG2 3.55Å |
| 64 | G | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | S | Bend | trans | 52.3 | -129.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E56 G66 S67 M77 A99 | E56-G64 CarbonylContact O-C 3.55Å; E56-G64 WeakPolarHBondContact O-CA 3.49Å; G64-G66 PolarHBondContact O-N 2.98Å; G64-S67 PolarHBondContact N-OG 3.15Å; G64-S67 VanDerWaalsContact O-CB 3.3Å; G64-S67 WeakPolarHBondContact O-CB 3.27Å; G64-S67 PolarHBondContact O-N 3.14Å; G64-S67 PolarHBondContact O-OG 3.42Å; G64-M77 VanDerWaalsContact CA-SD 3.54Å; G64-A99 WeakPolarHBondContact CA-O 3.17Å |
| 65 | C | 97.7 | Very high | 97.7 | Very high | 35 Ų | 35 | 25.1 Ų | 25.1 | 24% | 0.236 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | 125.6 | 170.8 | -177.7 | 0 | 0 | 0 | 0 | 110.3 | E56 P59 A63 K138 L139 | E56-C65 PolarHBondContact O-N 3.43Å; P59-C65 WeakPolarHBondContact CA-O 3.47Å; A63-C65 PolarHBondContact O-N 3.39Å; C65-K138 PolarHBondContact SG-O 2.95Å; C65-L139 HydrophobicContact CB-CD2 4.35Å |
| 66 | G | 96.5 | Very high | 97.7 | Very high | 2 Ų | 2 | 25.3 Ų | 25.3 | 2% | 0.021 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 97.7 | 1.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | F61 G64 L139 N144 | F61-G66 CarbonylContact O-C 3.45Å; F61-G66 VanDerWaalsContact O-C 3.23Å; F61-G66 VanDerWaalsContact O-O 3.06Å; G64-G66 PolarHBondContact O-N 2.98Å; G66-L139 PolarHBondContact N-O 2.97Å; G66-N144 PolarHBondContact O-ND2 3.48Å |
| 67 | S | 98.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | P | Polyproline II helix | trans | -53.6 | 144 | 166.7 | -68.5 | 0 | 0 | 0 | 0 | 112.6 | N62 A63 G64 V75 N144 | N62-S67 WeakPolarHBondContact OD1-CA 3.18Å; A63-S67 VanDerWaalsContact C-OG 3.25Å; A63-S67 WeakPolarHBondContact CA-OG 3.46Å; G64-S67 PolarHBondContact N-OG 3.15Å; G64-S67 VanDerWaalsContact O-CB 3.3Å; G64-S67 WeakPolarHBondContact O-CB 3.27Å; G64-S67 PolarHBondContact O-N 3.14Å; G64-S67 PolarHBondContact O-OG 3.42Å; S67-V75 VanDerWaalsContact CB-CG1 3.47Å; S67-N144 PolarHBondContact O-ND2 3.35Å |
| 68 | V | 96.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.123 | C | C | . | . | P | Polyproline II helix | trans | -69.1 | 161 | 173.8 | -65.3 | 0 | 0 | 0 | 0 | 111.9 | N62 L166 G188 I190 | N62-V68 WeakPolarHBondContact OD1-CG1 3.5Å; N62-V68 WeakPolarHBondContact OD1-CG2 3.29Å; N62-V68 PolarHBondContact OD1-N 3.3Å; V68-L166 HydrophobicContact CG1-CB 3.79Å; V68-L166 HydrophobicContact CG1-CD1 3.28Å; V68-L166 HydrophobicContact CG1-CG 4.16Å; V68-G188 VanDerWaalsContact CG2-O 3.29Å; V68-G188 WeakPolarHBondContact CG2-O 3.45Å; V68-I190 HydrophobicContact CB-CB 4.35Å; V68-I190 HydrophobicContact CB-CD1 4.08Å; V68-I190 HydrophobicContact CG1-CB 4.46Å |
| 69 | L | 97.9 | Very high | 97.8 | Very high | 4 Ų | 4 | 20.2 Ų | 20.2 | 2% | 0.021 | 12% | 0.119 | C | C | . | . | B | Isolated β-bridge | trans | -95.7 | 141.4 | -176.4 | -52.5 | -178 | 0 | 0 | 0 | 111.3 | E74 V75 V140 N144 K145 L148 I190 N191 | L69-E74 WeakPolarHBondContact CA-O 3.28Å; L69-V75 HydrophobicContact CD2-CG2 3.73Å; L69-V140 HydrophobicContact CD1-CG1 4.4Å; L69-V140 HydrophobicContact CD2-CG1 4.14Å; L69-V140 HydrophobicContact CD2-CG2 3.93Å; L69-N144 HydrophobicContact CG-CB 4.21Å; L69-K145 HydrophobicContact CD1-CG 4.19Å; L69-L148 HydrophobicContact CB-CB 4.31Å; L69-L148 HydrophobicContact CB-CD2 3.8Å; L69-L148 HydrophobicContact CB-CG 4.48Å; L69-L148 HydrophobicContact CD1-CB 4.22Å; L69-L148 HydrophobicContact CD1-CD2 4.01Å; L69-I190 HydrophobicContact CB-CD1 4.43Å; L69-N191 PolarHBondContact O-N 3.05Å |
| 70 | N | 97.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.1 | C | C | . | . | trans | -72.5 | -176.3 | 167.4 | 73.5 | 9.7 | 0 | 0 | 0 | 111.1 | D72 G73 E74 E76 L148 K192 | N70-D72 PolarHBondContact O-N 2.93Å; N70-D72 WeakPolarHBondContact OD1-CA 3.26Å; N70-D72 PolarHBondContact OD1-N 2.75Å; N70-G73 PolarHBondContact O-N 3.2Å; N70-G73 VanDerWaalsContact O-N 3.11Å; N70-G73 PolarHBondContact OD1-N 2.62Å; N70-G73 VanDerWaalsContact OD1-N 3.13Å; N70-E74 VanDerWaalsContact CG-O 3.31Å; N70-E74 PolarHBondContact N-O 2.74Å; N70-E74 PolarHBondContact OD1-N 2.95Å; N70-E74 PolarHBondContact OD1-O 3.29Å; N70-E76 PolarHBondContact ND2-OE2 2.81Å; N70-L148 WeakPolarHBondContact O-CD1 3.42Å; N70-L148 WeakPolarHBondContact O-CD2 3.3Å; N70-K192 CarbonylContact C-O 3.56Å; N70-K192 WeakPolarHBondContact CA-O 3.33Å; N70-K192 HydrophobicContact CB-CG 3.82Å | ||
| 71 | T | 96.8 | Very high | 98.1 | Very high | 49 Ų | 49 | 15.9 Ų | 15.9 | 30% | 0.301 | 9% | 0.093 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -22.8 | -177.6 | -153.3 | 0 | 0 | 0 | 0 | 113.7 | K152 N191 K192 V194 | T71-K152 WeakPolarHBondContact O-CE 3.43Å; T71-K152 PolarHBondContact O-NZ 2.85Å; T71-N191 WeakPolarHBondContact CA-OD1 3.39Å; T71-N191 WeakPolarHBondContact CB-OD1 3.3Å; T71-N191 PolarHBondContact OG1-OD1 2.89Å; T71-K192 PolarHBondContact N-O 2.84Å; T71-V194 HydrophobicContact CG2-CG2 4.08Å |
| 72 | D | 97.8 | Very high | 98.2 | Very high | 107 Ų | 107 | 15.8 Ų | 15.8 | 57% | 0.572 | 9% | 0.093 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | -0.4 | 178 | -69.8 | -11.4 | 0 | 0 | 0 | 112.8 | N70 E74 V194 | N70-D72 PolarHBondContact O-N 2.93Å; N70-D72 WeakPolarHBondContact OD1-CA 3.26Å; N70-D72 PolarHBondContact OD1-N 2.75Å; D72-E74 HydrophobicContact CB-CG 4.46Å; D72-V194 HydrophobicContact CB-CG2 4.44Å; D72-V194 VanDerWaalsContact OD2-CG2 3.27Å; D72-V194 WeakPolarHBondContact OD2-CG2 3.35Å |
| 73 | G | 97.8 | Very high | 98.2 | Very high | 28 Ų | 28 | 17.1 Ų | 17.1 | 29% | 0.289 | 10% | 0.1 | S | C | . | . | S | Bend | trans | 84.6 | 13.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | N70 | N70-G73 PolarHBondContact O-N 3.2Å; N70-G73 VanDerWaalsContact O-N 3.11Å; N70-G73 PolarHBondContact OD1-N 2.62Å; N70-G73 VanDerWaalsContact OD1-N 3.13Å |
| 74 | E | 98.6 | Very high | 98.2 | Very high | 84 Ų | 84 | 17.2 Ų | 17.2 | 39% | 0.393 | 10% | 0.101 | S | C | . | . | trans | -101.9 | 154.2 | -179 | -56.9 | -177.4 | 153.4 | 0 | 0 | 111.5 | L69 N70 D72 R96 | L69-E74 WeakPolarHBondContact CA-O 3.28Å; N70-E74 VanDerWaalsContact CG-O 3.31Å; N70-E74 PolarHBondContact N-O 2.74Å; N70-E74 PolarHBondContact OD1-N 2.95Å; N70-E74 PolarHBondContact OD1-O 3.29Å; D72-E74 HydrophobicContact CB-CG 4.46Å; E74-R96 IonicContact OE2-CZ 3.24Å; E74-R96 VanDerWaalsContact OE2-CZ 3.24Å; E74-R96 IonicContact OE2-NH1 2.66Å; E74-R96 PolarHBondContact OE2-NH1 3.2Å; E74-R96 IonicContact OE2-NH2 2.73Å | ||
| 75 | V | 98.7 | Very high | 98.3 | Very high | 10 Ų | 10 | 23.9 Ų | 23.9 | 6% | 0.061 | 13% | 0.13 | C | C | . | . | B | Isolated β-bridge | trans | -87.1 | 126.1 | 170.9 | 169 | 0 | 0 | 0 | 0 | 109.1 | S67 L69 M77 L139 V140 | S67-V75 VanDerWaalsContact CB-CG1 3.47Å; L69-V75 HydrophobicContact CD2-CG2 3.73Å; V75-M77 HydrophobicContact CG1-CE 4.15Å; V75-M77 HydrophobicContact CG1-CG 3.6Å; V75-M77 HydrophobicContact CG1-SD 3.83Å; V75-L139 HydrophobicContact CB-CB 4.27Å; V75-L139 HydrophobicContact CB-CD1 4.45Å; V75-L139 HydrophobicContact CG1-CB 4.25Å; V75-L139 HydrophobicContact CG1-CD1 4.07Å; V75-L139 HydrophobicContact CG2-CB 4.05Å; V75-V140 HydrophobicContact CG2-CG2 4.03Å |
| 76 | E | 98.8 | Very high | 98.3 | Very high | 3 Ų | 3 | 26.9 Ų | 26.9 | 1% | 0.014 | 14% | 0.144 | C | C | . | . | trans | -127.5 | 126.4 | 169.8 | -74.1 | 178.4 | 123.4 | 0 | 0 | 108 | N70 R96 G187 K192 G195 | N70-E76 PolarHBondContact ND2-OE2 2.81Å; E76-R96 HydrophobicContact CG-CG 4.17Å; E76-R96 IonicContact OE1-CZ 3.55Å; E76-R96 IonicContact OE1-NE 3.56Å; E76-R96 IonicContact OE1-NH2 3.86Å; E76-R96 PolarHBondContact OE1-NH2 3.47Å; E76-G187 CarbonylContact O-C 3.54Å; E76-G187 VanDerWaalsContact O-O 3.12Å; E76-K192 PolarHBondContact O-NZ 3.45Å; E76-G195 PolarHBondContact OE1-N 3.01Å; E76-G195 VanDerWaalsContact OE1-N 3.09Å; E76-G195 PolarHBondContact OE2-N 3.02Å; E76-G195 VanDerWaalsContact OE2-N 3.16Å | ||
| 77 | M | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 151.3 | -171.8 | -59.3 | 167.4 | -69.1 | 0 | 0 | 111.9 | G64 V75 S93 A94 V95 I98 P101 L139 T186 | G64-M77 VanDerWaalsContact CA-SD 3.54Å; V75-M77 HydrophobicContact CG1-CE 4.15Å; V75-M77 HydrophobicContact CG1-CG 3.6Å; V75-M77 HydrophobicContact CG1-SD 3.83Å; M77-S93 CarbonylContact O-C 3.43Å; M77-A94 PolarHBondContact O-N 3.23Å; M77-V95 HydrophobicContact CB-CG2 4.13Å; M77-V95 PolarHBondContact N-O 3.3Å; M77-V95 WeakPolarHBondContact O-CG2 3.46Å; M77-V95 PolarHBondContact O-N 3.4Å; M77-I98 HydrophobicContact CE-CG1 4.23Å; M77-I98 WeakPolarHBondContact CE-O 3.29Å; M77-P101 HydrophobicContact CB-CB 4.32Å; M77-P101 HydrophobicContact CB-CG 3.56Å; M77-P101 HydrophobicContact CE-CG 3.77Å; M77-P101 HydrophobicContact CG-CG 4.13Å; M77-P101 HydrophobicContact SD-CG 3.54Å; M77-P101 VanDerWaalsContact SD-CG 3.54Å; M77-L139 HydrophobicContact CE-CD1 3.74Å; M77-L139 HydrophobicContact SD-CD1 4.38Å; M77-T186 CarbonylContact C-O 3.53Å; M77-T186 VanDerWaalsContact CA-O 3.26Å; M77-T186 WeakPolarHBondContact CA-O 3.36Å |
| 78 | D | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 144.2 | 173.8 | -52.4 | -31.6 | 0 | 0 | 0 | 109.2 | V92 S93 A94 S185 T186 G198 T200 P201 | D78-V92 CarbonylContact C-O 3.38Å; D78-V92 VanDerWaalsContact CA-O 3.3Å; D78-V92 WeakPolarHBondContact CA-O 3.25Å; D78-S93 WeakPolarHBondContact OD1-CA 3.49Å; D78-S93 WeakPolarHBondContact OD1-CB 3.41Å; D78-A94 PolarHBondContact OD1-N 3.1Å; D78-S185 WeakPolarHBondContact O-CA 3.19Å; D78-T186 HydrophobicContact CB-CG2 4.06Å; D78-T186 PolarHBondContact N-O 3.45Å; D78-T186 PolarHBondContact O-N 3.12Å; D78-G198 PolarHBondContact OD2-N 3.09Å; D78-G198 VanDerWaalsContact OD2-N 3.13Å; D78-T200 HydrophobicContact CB-CG2 4.37Å; D78-T200 WeakPolarHBondContact O-CG2 3.44Å; D78-P201 HydrophobicContact CB-CB 4.18Å; D78-P201 HydrophobicContact CB-CG 3.78Å |
| 79 | A | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 151.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A91 V92 P101 I102 A105 T184 | A79-A91 CarbonylContact O-C 3.55Å; A79-A91 VanDerWaalsContact O-CA 3.26Å; A79-A91 WeakPolarHBondContact O-CA 3.39Å; A79-V92 HydrophobicContact CB-CG2 4.33Å; A79-V92 PolarHBondContact N-O 3.29Å; A79-V92 PolarHBondContact O-N 3.3Å; A79-P101 HydrophobicContact CB-CB 3.69Å; A79-I102 HydrophobicContact CB-CB 4.45Å; A79-I102 HydrophobicContact CB-CD1 4.08Å; A79-A105 HydrophobicContact CB-CB 4.37Å; A79-T184 CarbonylContact C-O 3.44Å; A79-T184 WeakPolarHBondContact CA-O 3.39Å |
| 80 | S | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 153.9 | 166.1 | 63.6 | 0 | 0 | 0 | 0 | 112.8 | G90 I102 Y182 A183 T184 T200 | S80-G90 CarbonylContact C-O 3.59Å; S80-G90 VanDerWaalsContact CA-O 3.26Å; S80-G90 WeakPolarHBondContact CA-O 3.22Å; S80-I102 VanDerWaalsContact O-CD1 3.22Å; S80-I102 WeakPolarHBondContact O-CD1 3.33Å; S80-Y182 WeakPolarHBondContact OG-CE2 3.42Å; S80-Y182 PolarHBondContact OG-OH 2.98Å; S80-A183 WeakPolarHBondContact O-CA 3.35Å; S80-T184 PolarHBondContact N-O 2.98Å; S80-T184 PolarHBondContact O-N 3.35Å; S80-T200 WeakPolarHBondContact CB-O 3.26Å; S80-T200 PolarHBondContact OG-O 2.91Å |
| 81 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 146 | 175.8 | -164.6 | 167.9 | 0 | 0 | 0 | 109.2 | V45 V48 E49 V89 G90 I102 A105 R106 M109 Y182 A183 | V45-I81 HydrophobicContact CG1-CD1 3.79Å; V45-I81 HydrophobicContact CG1-CG1 4.46Å; V48-I81 HydrophobicContact CG2-CD1 4.16Å; V48-I81 HydrophobicContact CG2-CG1 4.27Å; E49-I81 HydrophobicContact CB-CD1 4.03Å; I81-V89 WeakPolarHBondContact O-CA 3.48Å; I81-G90 PolarHBondContact N-O 3.47Å; I81-G90 PolarHBondContact O-N 3.38Å; I81-I102 HydrophobicContact CB-CD1 4.08Å; I81-A105 HydrophobicContact CG2-CB 4.33Å; I81-R106 HydrophobicContact CD1-CB 4.5Å; I81-R106 HydrophobicContact CG2-CB 4.24Å; I81-M109 HydrophobicContact CG2-SD 4.26Å; I81-Y182 WeakPolarHBondContact CA-O 3.47Å; I81-Y182 WeakPolarHBondContact CG1-O 3.3Å; I81-A183 HydrophobicContact CD1-CB 4.38Å; I81-A183 HydrophobicContact CG1-CB 4.17Å |
| 82 | M | 98.9 | Very high | 98.7 | Very high | 3 Ų | 3 | 30.6 Ų | 30.6 | 2% | 0.015 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 134.6 | 178.9 | -174.3 | 173.9 | -173.2 | 0 | 0 | 111.7 | L87 S88 V89 A181 Y182 V203 Y208 A209 | M82-L87 HydrophobicContact CE-CB 3.6Å; M82-L87 HydrophobicContact CE-CD2 3.74Å; M82-L87 HydrophobicContact CE-CG 4.2Å; M82-S88 CarbonylContact C-O 3.6Å; M82-S88 VanDerWaalsContact CA-O 3.29Å; M82-S88 WeakPolarHBondContact CA-O 3.45Å; M82-S88 WeakPolarHBondContact CG-O 3.44Å; M82-V89 HydrophobicContact CB-CG2 4.02Å; M82-V89 HydrophobicContact CE-CG2 3.98Å; M82-V89 HydrophobicContact CG-CG2 3.55Å; M82-V89 HydrophobicContact SD-CG2 3.78Å; M82-A181 VanDerWaalsContact O-CA 3.29Å; M82-A181 WeakPolarHBondContact O-CA 3.43Å; M82-A181 WeakPolarHBondContact O-CB 3.31Å; M82-Y182 HydrophobicContact CB-CD1 3.57Å; M82-Y182 HydrophobicContact CB-CE1 3.23Å; M82-Y182 HydrophobicContact CG-CE1 4.18Å; M82-Y182 PolarHBondContact N-O 2.96Å; M82-Y182 VanDerWaalsContact N-O 3.09Å; M82-Y182 PolarHBondContact O-N 2.92Å; M82-Y182 HydrophobicContact SD-CE1 3.95Å; M82-V203 HydrophobicContact CE-CG1 4.45Å; M82-V203 HydrophobicContact SD-CG1 3.91Å; M82-Y208 HydrophobicContact CE-CD2 4.49Å; M82-Y208 HydrophobicContact CE-CE1 4.29Å; M82-Y208 HydrophobicContact CE-CE2 4.13Å; M82-Y208 HydrophobicContact SD-CD2 4.21Å; M82-Y208 HydrophobicContact SD-CE2 4.42Å; M82-Y208 HydrophobicContact SD-CG 4.33Å; M82-A209 HydrophobicContact CB-CB 4.26Å; M82-A209 VanDerWaalsContact CE-O 3.28Å; M82-A209 WeakPolarHBondContact CE-O 3.26Å; M82-A209 HydrophobicContact CG-CB 4.15Å; M82-A209 HydrophobicContact SD-CB 4.45Å; M82-A209 PolarHBondContact SD-N 2.74Å; M82-A209 VanDerWaalsContact SD-N 3.42Å |
| 83 | D | 98.9 | Very high | 98.8 | Very high | 35 Ų | 35 | 25.7 Ų | 25.7 | 19% | 0.187 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 122.5 | 168.6 | -171.8 | -18.1 | 0 | 0 | 0 | 109.6 | V45 K85 L87 S88 | V45-D83 HydrophobicContact CG2-CB 3.75Å; D83-K85 PolarHBondContact O-N 3.33Å; D83-K85 VanDerWaalsContact OD1-CB 3.29Å; D83-K85 WeakPolarHBondContact OD1-CB 3.48Å; D83-K85 PolarHBondContact OD1-N 2.74Å; D83-L87 WeakPolarHBondContact O-CA 2.99Å; D83-L87 PolarHBondContact O-N 3.27Å; D83-L87 VanDerWaalsContact O-N 3.1Å; D83-S88 PolarHBondContact N-O 3.05Å |
| 84 | G | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -11.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | V180 N211 | G84-V180 WeakPolarHBondContact CA-O 3.5Å; G84-V180 PolarHBondContact N-O 3.11Å; G84-N211 VanDerWaalsContact C-OD1 3.26Å; G84-N211 WeakPolarHBondContact O-CB 3.44Å; G84-N211 PolarHBondContact O-N 2.96Å |
| 85 | K | 98.8 | Very high | 98.8 | Very high | 141 Ų | 141 | 20.8 Ų | 20.8 | 61% | 0.613 | 11% | 0.11 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -49.7 | -176.5 | 179.4 | -175.4 | 170.5 | -169.8 | 0 | 113.6 | D83 N211 | D83-K85 PolarHBondContact O-N 3.33Å; D83-K85 VanDerWaalsContact OD1-CB 3.29Å; D83-K85 WeakPolarHBondContact OD1-CB 3.48Å; D83-K85 PolarHBondContact OD1-N 2.74Å; K85-N211 WeakPolarHBondContact CA-ND2 3.46Å; K85-N211 PolarHBondContact N-OD1 2.89Å |
| 86 | D | 98.6 | Very high | 98.8 | Very high | 98 Ų | 98 | 24 Ų | 24 | 52% | 0.524 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -127.7 | 10.7 | -177.9 | 60 | 11.1 | 0 | 0 | 0 | 112.2 | S88 | D86-S88 VanDerWaalsContact CG-OG 3.24Å; D86-S88 PolarHBondContact O-N 2.85Å; D86-S88 WeakPolarHBondContact OD1-CB 3.32Å; D86-S88 PolarHBondContact OD1-N 2.97Å; D86-S88 PolarHBondContact OD1-OG 3.11Å; D86-S88 PolarHBondContact OD2-OG 3.01Å |
| 87 | L | 98.8 | Very high | 98.8 | Very high | 73 Ų | 73 | 25.8 Ų | 25.8 | 38% | 0.382 | 13% | 0.133 | S | C | . | . | trans | 62.6 | 24.3 | -179.4 | -45.9 | -179.9 | 0 | 0 | 0 | 112.7 | M82 D83 V89 A209 D210 | M82-L87 HydrophobicContact CE-CB 3.6Å; M82-L87 HydrophobicContact CE-CD2 3.74Å; M82-L87 HydrophobicContact CE-CG 4.2Å; D83-L87 WeakPolarHBondContact O-CA 2.99Å; D83-L87 PolarHBondContact O-N 3.27Å; D83-L87 VanDerWaalsContact O-N 3.1Å; L87-V89 WeakPolarHBondContact O-CG2 3.47Å; L87-V89 PolarHBondContact O-N 3.36Å; L87-A209 WeakPolarHBondContact CD2-O 3.29Å; L87-D210 HydrophobicContact CD2-CB 4.14Å | ||
| 88 | S | 98.8 | Very high | 98.8 | Very high | 44 Ų | 44 | 26.2 Ų | 26.2 | 31% | 0.308 | 14% | 0.135 | S | C | . | . | trans | -58.6 | 133.3 | 171 | -66.9 | 0 | 0 | 0 | 0 | 110.3 | M82 D83 D86 | M82-S88 CarbonylContact C-O 3.6Å; M82-S88 VanDerWaalsContact CA-O 3.29Å; M82-S88 WeakPolarHBondContact CA-O 3.45Å; M82-S88 WeakPolarHBondContact CG-O 3.44Å; D83-S88 PolarHBondContact N-O 3.05Å; D86-S88 VanDerWaalsContact CG-OG 3.24Å; D86-S88 PolarHBondContact O-N 2.85Å; D86-S88 WeakPolarHBondContact OD1-CB 3.32Å; D86-S88 PolarHBondContact OD1-N 2.97Å; D86-S88 PolarHBondContact OD1-OG 3.11Å; D86-S88 PolarHBondContact OD2-OG 3.01Å | ||
| 89 | V | 98.7 | Very high | 98.8 | Very high | 15 Ų | 15 | 27.9 Ų | 27.9 | 9% | 0.091 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 143.8 | -174.1 | 167 | 0 | 0 | 0 | 0 | 109.6 | I81 M82 L87 C115 V203 | I81-V89 WeakPolarHBondContact O-CA 3.48Å; M82-V89 HydrophobicContact CB-CG2 4.02Å; M82-V89 HydrophobicContact CE-CG2 3.98Å; M82-V89 HydrophobicContact CG-CG2 3.55Å; M82-V89 HydrophobicContact SD-CG2 3.78Å; L87-V89 WeakPolarHBondContact O-CG2 3.47Å; L87-V89 PolarHBondContact O-N 3.36Å; V89-C115 HydrophobicContact CB-CB 4.13Å; V89-C115 HydrophobicContact CG1-CB 3.97Å; V89-V203 HydrophobicContact CB-CG2 4.25Å; V89-V203 HydrophobicContact CG1-CG2 3.39Å; V89-V203 HydrophobicContact CG2-CG1 4.43Å; V89-V203 HydrophobicContact CG2-CG2 3.79Å |
| 90 | G | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 142.1 | 160.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | S80 I81 A105 C115 | S80-G90 CarbonylContact C-O 3.59Å; S80-G90 VanDerWaalsContact CA-O 3.26Å; S80-G90 WeakPolarHBondContact CA-O 3.22Å; I81-G90 PolarHBondContact N-O 3.47Å; I81-G90 PolarHBondContact O-N 3.38Å; G90-A105 VanDerWaalsContact CA-O 3.27Å; G90-A105 WeakPolarHBondContact CA-O 3.45Å; G90-C115 CarbonylContact C-O 3.56Å; G90-C115 WeakPolarHBondContact CA-O 3.42Å |
| 91 | A | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.008 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 151 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | A79 C115 F116 L117 P201 | A79-A91 CarbonylContact O-C 3.55Å; A79-A91 VanDerWaalsContact O-CA 3.26Å; A79-A91 WeakPolarHBondContact O-CA 3.39Å; A91-C115 PolarHBondContact N-O 3.25Å; A91-F116 HydrophobicContact CB-CB 4.16Å; A91-F116 HydrophobicContact CB-CD1 4.37Å; A91-F116 HydrophobicContact CB-CD2 3.68Å; A91-F116 HydrophobicContact CB-CE2 4.19Å; A91-F116 HydrophobicContact CB-CG 3.82Å; A91-F116 WeakPolarHBondContact O-CA 3.29Å; A91-F116 WeakPolarHBondContact O-CD2 3.12Å; A91-L117 PolarHBondContact O-N 2.62Å; A91-L117 VanDerWaalsContact O-N 3.12Å; A91-P201 HydrophobicContact CB-CB 4.24Å; A91-P201 WeakPolarHBondContact CB-O 3.48Å |
| 92 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 148.4 | 171 | -65.4 | 0 | 0 | 0 | 0 | 112 | D78 A79 V95 P101 L104 A105 V108 L117 A122 P201 | D78-V92 CarbonylContact C-O 3.38Å; D78-V92 VanDerWaalsContact CA-O 3.3Å; D78-V92 WeakPolarHBondContact CA-O 3.25Å; A79-V92 HydrophobicContact CB-CG2 4.33Å; A79-V92 PolarHBondContact N-O 3.29Å; A79-V92 PolarHBondContact O-N 3.3Å; V92-V95 HydrophobicContact CB-CG1 3.76Å; V92-V95 HydrophobicContact CG1-CG1 4.46Å; V92-V95 HydrophobicContact CG2-CG1 4.05Å; V92-V95 HydrophobicContact CG2-CG2 3.99Å; V92-P101 HydrophobicContact CG2-CB 4.37Å; V92-L104 HydrophobicContact CG1-CD2 3.94Å; V92-L104 HydrophobicContact CG1-CG 3.89Å; V92-A105 HydrophobicContact CG2-CB 4.44Å; V92-V108 HydrophobicContact CG1-CG2 3.95Å; V92-L117 VanDerWaalsContact CA-O 3.24Å; V92-L117 WeakPolarHBondContact CA-O 3.37Å; V92-A122 HydrophobicContact CG1-CB 4.24Å; V92-P201 WeakPolarHBondContact O-CB 3.35Å |
| 93 | S | 98.9 | Very high | 98.8 | Very high | 4 Ų | 4 | 34 Ų | 34 | 3% | 0.028 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 150.6 | 177.7 | 57.7 | 0 | 0 | 0 | 0 | 113.2 | M77 D78 V95 F116 L117 T118 D119 | M77-S93 CarbonylContact O-C 3.43Å; D78-S93 WeakPolarHBondContact OD1-CA 3.49Å; D78-S93 WeakPolarHBondContact OD1-CB 3.41Å; S93-V95 PolarHBondContact O-N 2.87Å; S93-V95 VanDerWaalsContact O-N 3.15Å; S93-F116 WeakPolarHBondContact OG-CE2 3.29Å; S93-F116 WeakPolarHBondContact OG-CZ 3.35Å; S93-L117 PolarHBondContact N-O 2.84Å; S93-T118 WeakPolarHBondContact O-CA 3.43Å; S93-T118 PolarHBondContact O-OG1 2.87Å; S93-T118 VanDerWaalsContact OG-CB 3.28Å; S93-T118 WeakPolarHBondContact OG-CB 3.38Å; S93-T118 PolarHBondContact OG-OG1 3.44Å; S93-D119 PolarHBondContact O-N 2.89Å |
| 94 | A | 98.8 | Very high | 98.8 | Very high | 4 Ų | 4 | 32.4 Ų | 32.4 | 3% | 0.033 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 50.8 | 31.7 | -177 | 0 | 0 | 0 | 0 | 0 | 113.5 | M77 D78 D119 | M77-A94 PolarHBondContact O-N 3.23Å; D78-A94 PolarHBondContact OD1-N 3.1Å; A94-D119 HydrophobicContact CB-CB 4.41Å |
| 95 | V | 98.8 | Very high | 98.8 | Very high | 5 Ų | 5 | 32.4 Ų | 32.4 | 3% | 0.03 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 147.8 | 178.2 | -63.6 | 0 | 0 | 0 | 0 | 110.9 | M77 V92 S93 I98 P101 L104 A122 | M77-V95 HydrophobicContact CB-CG2 4.13Å; M77-V95 PolarHBondContact N-O 3.3Å; M77-V95 WeakPolarHBondContact O-CG2 3.46Å; M77-V95 PolarHBondContact O-N 3.4Å; V92-V95 HydrophobicContact CB-CG1 3.76Å; V92-V95 HydrophobicContact CG1-CG1 4.46Å; V92-V95 HydrophobicContact CG2-CG1 4.05Å; V92-V95 HydrophobicContact CG2-CG2 3.99Å; S93-V95 PolarHBondContact O-N 2.87Å; S93-V95 VanDerWaalsContact O-N 3.15Å; V95-I98 HydrophobicContact CB-CD1 4.24Å; V95-I98 HydrophobicContact CG2-CD1 3.96Å; V95-I98 HydrophobicContact CG2-CG1 4.46Å; V95-P101 HydrophobicContact CG2-CB 4.08Å; V95-P101 HydrophobicContact CG2-CG 4.16Å; V95-L104 HydrophobicContact CG1-CD2 4.24Å; V95-A122 HydrophobicContact CG1-CB 3.54Å |
| 96 | R | 98.8 | Very high | 98.8 | Very high | 78 Ų | 78 | 27.5 Ų | 27.5 | 29% | 0.294 | 15% | 0.146 | S | C | . | . | trans | -134 | 164.8 | -174.9 | -53.2 | -176.8 | -173.7 | -171.9 | -8.1 | 110 | E74 E76 I98 | E74-R96 IonicContact OE2-CZ 3.24Å; E74-R96 VanDerWaalsContact OE2-CZ 3.24Å; E74-R96 IonicContact OE2-NH1 2.66Å; E74-R96 PolarHBondContact OE2-NH1 3.2Å; E74-R96 IonicContact OE2-NH2 2.73Å; E76-R96 HydrophobicContact CG-CG 4.17Å; E76-R96 IonicContact OE1-CZ 3.55Å; E76-R96 IonicContact OE1-NE 3.56Å; E76-R96 IonicContact OE1-NH2 3.86Å; E76-R96 PolarHBondContact OE1-NH2 3.47Å; R96-I98 PolarHBondContact O-N 2.91Å; R96-I98 VanDerWaalsContact O-N 3.07Å | ||
| 97 | C | 98.5 | Very high | 98.8 | Very high | 39 Ų | 39 | 24.9 Ų | 24.9 | 26% | 0.264 | 13% | 0.132 | S | C | . | . | S | Bend | trans | 55.6 | 28.1 | 168.8 | -57.1 | 0 | 0 | 0 | 0 | 115.5 | E133 I134 | C97-E133 HydrophobicContact CB-CG 3.87Å; C97-E133 CarbonylContact O-C 3.56Å; C97-E133 WeakPolarHBondContact O-CA 3.3Å; C97-I134 WeakPolarHBondContact CA-O 3.29Å; C97-I134 VanDerWaalsContact CB-O 3.28Å; C97-I134 WeakPolarHBondContact CB-O 3.5Å; C97-I134 WeakPolarHBondContact O-CG1 3.38Å; C97-I134 PolarHBondContact O-N 2.7Å |
| 98 | I | 98.8 | Very high | 98.8 | Very high | 10 Ų | 10 | 21.4 Ų | 21.4 | 5% | 0.051 | 11% | 0.113 | C | C | . | . | trans | -129.6 | 150 | 171.8 | 62.1 | 174.6 | 0 | 0 | 0 | 109.3 | M77 V95 R96 L104 V131 | M77-I98 HydrophobicContact CE-CG1 4.23Å; M77-I98 WeakPolarHBondContact CE-O 3.29Å; V95-I98 HydrophobicContact CB-CD1 4.24Å; V95-I98 HydrophobicContact CG2-CD1 3.96Å; V95-I98 HydrophobicContact CG2-CG1 4.46Å; R96-I98 PolarHBondContact O-N 2.91Å; R96-I98 VanDerWaalsContact O-N 3.07Å; I98-L104 HydrophobicContact CD1-CB 4.13Å; I98-L104 HydrophobicContact CD1-CD2 3.67Å; I98-V131 HydrophobicContact CB-CG1 4.27Å; I98-V131 HydrophobicContact CG2-CG1 3.87Å | ||
| 99 | A | 98.7 | Very high | 98.8 | Very high | 35 Ų | 35 | 20.6 Ų | 20.6 | 29% | 0.289 | 11% | 0.105 | S | C | . | . | S | Bend | trans | -72.5 | -44.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | G64 P101 I134 | G64-A99 WeakPolarHBondContact CA-O 3.17Å; A99-P101 WeakPolarHBondContact O-CD 3.38Å; A99-I134 HydrophobicContact CB-CD1 4.2Å |
| 100 | N | 98.9 | Very high | 98.9 | Very high | 30 Ų | 30 | 24.3 Ų | 24.3 | 16% | 0.16 | 12% | 0.121 | C | C | . | . | trans | -126.2 | 88.3 | -166.9 | -53.8 | 111.6 | 0 | 0 | 0 | 112.9 | E56 D57 I102 K103 L104 | E56-N100 WeakPolarHBondContact OE2-CA 3.42Å; E56-N100 WeakPolarHBondContact OE2-CB 3.39Å; E56-N100 PolarHBondContact OE2-ND2 2.96Å; D57-N100 PolarHBondContact OD1-ND2 3.41Å; N100-I102 PolarHBondContact O-N 3.14Å; N100-K103 HydrophobicContact CB-CB 4.18Å; N100-K103 HydrophobicContact CB-CD 3.78Å; N100-K103 HydrophobicContact CB-CG 3.79Å; N100-K103 PolarHBondContact O-N 2.92Å; N100-L104 PolarHBondContact O-N 3.27Å | ||
| 101 | P | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -52.1 | -37.4 | 172.1 | -28.5 | 34.7 | 0 | 0 | 0 | 114.1 | E56 M77 A79 V92 V95 A99 K103 L104 A105 | E56-P101 VanDerWaalsContact OE1-CD 3.3Å; E56-P101 WeakPolarHBondContact OE1-CD 3.45Å; M77-P101 HydrophobicContact CB-CB 4.32Å; M77-P101 HydrophobicContact CB-CG 3.56Å; M77-P101 HydrophobicContact CE-CG 3.77Å; M77-P101 HydrophobicContact CG-CG 4.13Å; M77-P101 HydrophobicContact SD-CG 3.54Å; M77-P101 VanDerWaalsContact SD-CG 3.54Å; A79-P101 HydrophobicContact CB-CB 3.69Å; V92-P101 HydrophobicContact CG2-CB 4.37Å; V95-P101 HydrophobicContact CG2-CB 4.08Å; V95-P101 HydrophobicContact CG2-CG 4.16Å; A99-P101 WeakPolarHBondContact O-CD 3.38Å; P101-K103 VanDerWaalsContact C-N 3.31Å; P101-K103 PolarHBondContact O-N 3.45Å; P101-L104 PolarHBondContact O-N 3.28Å; P101-L104 VanDerWaalsContact O-N 3.15Å; P101-A105 PolarHBondContact O-N 3.49Å |
| 102 | I | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.9 | -34.7 | -177.7 | -161.8 | 62.9 | 0 | 0 | 0 | 113 | E49 V52 V53 E56 A79 S80 I81 N100 L104 A105 R106 A183 | E49-I102 HydrophobicContact CG-CG2 4.33Å; V52-I102 HydrophobicContact CB-CB 4.5Å; V52-I102 HydrophobicContact CB-CG1 4.23Å; V52-I102 HydrophobicContact CB-CG2 4.29Å; V52-I102 HydrophobicContact CG1-CB 3.85Å; V52-I102 HydrophobicContact CG1-CD1 4.45Å; V52-I102 HydrophobicContact CG1-CG1 3.94Å; V52-I102 HydrophobicContact CG1-CG2 3.93Å; V53-I102 HydrophobicContact CG2-CG2 3.61Å; E56-I102 WeakPolarHBondContact OE1-CB 3.36Å; E56-I102 PolarHBondContact OE1-N 3.25Å; E56-I102 WeakPolarHBondContact OE2-CG2 3.29Å; A79-I102 HydrophobicContact CB-CB 4.45Å; A79-I102 HydrophobicContact CB-CD1 4.08Å; S80-I102 VanDerWaalsContact O-CD1 3.22Å; S80-I102 WeakPolarHBondContact O-CD1 3.33Å; I81-I102 HydrophobicContact CB-CD1 4.08Å; N100-I102 PolarHBondContact O-N 3.14Å; I102-L104 VanDerWaalsContact C-N 3.34Å; I102-A105 WeakPolarHBondContact O-CB 3.22Å; I102-A105 PolarHBondContact O-N 3.49Å; I102-R106 PolarHBondContact O-N 3.06Å; I102-A183 HydrophobicContact CD1-CB 3.7Å; I102-A183 HydrophobicContact CG1-CB 3.95Å |
| 103 | K | 98.9 | Very high | 98.8 | Very high | 101 Ų | 101 | 37.5 Ų | 37.5 | 44% | 0.439 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -68.4 | -37 | 175.9 | -61.1 | -174.1 | 68.2 | 175.2 | 0 | 111.2 | E49 V53 N100 P101 R106 L107 | E49-K103 HydrophobicContact CG-CG 4.46Å; E49-K103 WeakPolarHBondContact OE1-CG 3.49Å; V53-K103 HydrophobicContact CG2-CD 3.91Å; V53-K103 HydrophobicContact CG2-CG 3.67Å; N100-K103 HydrophobicContact CB-CB 4.18Å; N100-K103 HydrophobicContact CB-CD 3.78Å; N100-K103 HydrophobicContact CB-CG 3.79Å; N100-K103 PolarHBondContact O-N 2.92Å; P101-K103 VanDerWaalsContact C-N 3.31Å; P101-K103 PolarHBondContact O-N 3.45Å; K103-R106 PolarHBondContact O-N 3.02Å; K103-L107 WeakPolarHBondContact O-CG 3.27Å; K103-L107 PolarHBondContact O-N 3.07Å |
| 104 | L | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.2 | -39.9 | 173.9 | -174.8 | 63.3 | 0 | 0 | 0 | 111.2 | V92 V95 I98 N100 P101 I102 R106 L107 V108 A122 F125 A126 V131 | V92-L104 HydrophobicContact CG1-CD2 3.94Å; V92-L104 HydrophobicContact CG1-CG 3.89Å; V95-L104 HydrophobicContact CG1-CD2 4.24Å; I98-L104 HydrophobicContact CD1-CB 4.13Å; I98-L104 HydrophobicContact CD1-CD2 3.67Å; N100-L104 PolarHBondContact O-N 3.27Å; P101-L104 PolarHBondContact O-N 3.28Å; P101-L104 VanDerWaalsContact O-N 3.15Å; I102-L104 VanDerWaalsContact C-N 3.34Å; L104-R106 VanDerWaalsContact C-N 3.33Å; L104-R106 PolarHBondContact O-N 2.91Å; L104-L107 HydrophobicContact CD1-CD1 4.37Å; L104-L107 WeakPolarHBondContact O-CB 3.06Å; L104-L107 PolarHBondContact O-N 3.42Å; L104-V108 WeakPolarHBondContact O-CG2 3.35Å; L104-V108 PolarHBondContact O-N 3.49Å; L104-A122 HydrophobicContact CD2-CB 4.48Å; L104-F125 HydrophobicContact CD1-CD1 3.76Å; L104-F125 HydrophobicContact CD1-CE1 4.05Å; L104-A126 HydrophobicContact CD1-CB 3.75Å; L104-A126 HydrophobicContact CD2-CB 3.94Å; L104-V131 HydrophobicContact CD1-CG2 4.42Å |
| 105 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.2 | -44.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | A79 I81 G90 V92 P101 I102 L107 V108 M109 | A79-A105 HydrophobicContact CB-CB 4.37Å; I81-A105 HydrophobicContact CG2-CB 4.33Å; G90-A105 VanDerWaalsContact CA-O 3.27Å; G90-A105 WeakPolarHBondContact CA-O 3.45Å; V92-A105 HydrophobicContact CG2-CB 4.44Å; P101-A105 PolarHBondContact O-N 3.49Å; I102-A105 WeakPolarHBondContact O-CB 3.22Å; I102-A105 PolarHBondContact O-N 3.49Å; A105-L107 PolarHBondContact O-N 2.84Å; A105-V108 WeakPolarHBondContact O-CB 3.46Å; A105-V108 PolarHBondContact O-N 2.91Å; A105-V108 VanDerWaalsContact O-N 3.14Å; A105-M109 PolarHBondContact O-N 3.17Å; A105-M109 VanDerWaalsContact O-N 3.11Å |
| 106 | R | 98.9 | Very high | 98.8 | Very high | 38 Ų | 38 | 49.6 Ų | 49.6 | 14% | 0.143 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.3 | -40.4 | 173.8 | -172.3 | 177.1 | -179.6 | 165.6 | 5.3 | 113 | D46 E49 I81 I102 K103 L104 V108 M109 E110 | D46-R106 IonicContact OD1-CZ 3.2Å; D46-R106 IonicContact OD1-NH1 2.65Å; D46-R106 PolarHBondContact OD1-NH1 2.86Å; D46-R106 IonicContact OD1-NH2 2.89Å; D46-R106 PolarHBondContact OD1-NH2 2.85Å; E49-R106 VanDerWaalsContact OE1-CD 3.29Å; E49-R106 WeakPolarHBondContact OE1-CD 3.32Å; E49-R106 WeakPolarHBondContact OE2-CD 3.48Å; E49-R106 IonicContact OE2-CZ 3.41Å; E49-R106 IonicContact OE2-NE 3.17Å; E49-R106 IonicContact OE2-NH1 3.25Å; E49-R106 PolarHBondContact OE2-NH1 3.07Å; I81-R106 HydrophobicContact CD1-CB 4.5Å; I81-R106 HydrophobicContact CG2-CB 4.24Å; I102-R106 PolarHBondContact O-N 3.06Å; K103-R106 PolarHBondContact O-N 3.02Å; L104-R106 VanDerWaalsContact C-N 3.33Å; L104-R106 PolarHBondContact O-N 2.91Å; R106-V108 VanDerWaalsContact C-N 3.3Å; R106-V108 PolarHBondContact O-N 3.25Å; R106-M109 HydrophobicContact CG-CE 4.29Å; R106-M109 WeakPolarHBondContact O-CB 3.45Å; R106-M109 PolarHBondContact O-N 2.81Å; R106-E110 IonicContact CZ-OE1 2.7Å; R106-E110 IonicContact NE-OE1 2.73Å; R106-E110 PolarHBondContact NE-OE1 2.67Å; R106-E110 IonicContact NH2-OE1 2.73Å; R106-E110 PolarHBondContact NH2-OE1 3.47Å; R106-E110 PolarHBondContact O-N 2.77Å |
| 107 | L | 98.9 | Very high | 98.8 | Very high | 44 Ų | 44 | 47.6 Ų | 47.6 | 23% | 0.23 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.9 | -37.6 | 174.1 | -72.1 | 169.7 | 0 | 0 | 0 | 112.1 | K103 L104 A105 M109 E110 K111 F125 M129 V131 | K103-L107 WeakPolarHBondContact O-CG 3.27Å; K103-L107 PolarHBondContact O-N 3.07Å; L104-L107 HydrophobicContact CD1-CD1 4.37Å; L104-L107 WeakPolarHBondContact O-CB 3.06Å; L104-L107 PolarHBondContact O-N 3.42Å; A105-L107 PolarHBondContact O-N 2.84Å; L107-M109 VanDerWaalsContact C-N 3.34Å; L107-E110 PolarHBondContact O-N 3.08Å; L107-K111 HydrophobicContact CD2-CG 3.98Å; L107-K111 WeakPolarHBondContact O-CA 3.43Å; L107-K111 VanDerWaalsContact O-CB 3.22Å; L107-K111 WeakPolarHBondContact O-CB 3.42Å; L107-K111 PolarHBondContact O-N 2.9Å; L107-F125 HydrophobicContact CB-CE1 3.86Å; L107-F125 HydrophobicContact CB-CZ 4.14Å; L107-M129 HydrophobicContact CD1-CB 3.92Å; L107-M129 HydrophobicContact CD1-CG 4.21Å; L107-V131 HydrophobicContact CD1-CG2 3.86Å |
| 108 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.8 | -48.2 | 173.1 | 171.8 | 0 | 0 | 0 | 0 | 110.2 | V92 L104 A105 R106 E110 T112 H114 L117 F125 | V92-V108 HydrophobicContact CG1-CG2 3.95Å; L104-V108 WeakPolarHBondContact O-CG2 3.35Å; L104-V108 PolarHBondContact O-N 3.49Å; A105-V108 WeakPolarHBondContact O-CB 3.46Å; A105-V108 PolarHBondContact O-N 2.91Å; A105-V108 VanDerWaalsContact O-N 3.14Å; R106-V108 VanDerWaalsContact C-N 3.3Å; R106-V108 PolarHBondContact O-N 3.25Å; V108-E110 PolarHBondContact O-N 2.98Å; V108-T112 WeakPolarHBondContact O-CB 3.38Å; V108-T112 PolarHBondContact O-N 3.31Å; V108-T112 PolarHBondContact O-OG1 2.87Å; V108-H114 WeakPolarHBondContact CG1-O 3.38Å; V108-L117 HydrophobicContact CG1-CG 4.4Å; V108-L117 HydrophobicContact CG2-CB 4.42Å; V108-L117 HydrophobicContact CG2-CD1 3.85Å; V108-L117 HydrophobicContact CG2-CG 4.02Å; V108-F125 HydrophobicContact CG2-CD1 3.99Å; V108-F125 HydrophobicContact CG2-CE1 3.75Å |
| 109 | M | 98.8 | Very high | 98.8 | Very high | 27 Ų | 27 | 52.1 Ų | 52.1 | 13% | 0.133 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.8 | -46.1 | 179.3 | -171.7 | 175.7 | 73.9 | 0 | 0 | 113 | V45 I81 A105 R106 L107 | V45-M109 HydrophobicContact CG1-CE 4.01Å; I81-M109 HydrophobicContact CG2-SD 4.26Å; A105-M109 PolarHBondContact O-N 3.17Å; A105-M109 VanDerWaalsContact O-N 3.11Å; R106-M109 HydrophobicContact CG-CE 4.29Å; R106-M109 WeakPolarHBondContact O-CB 3.45Å; R106-M109 PolarHBondContact O-N 2.81Å; L107-M109 VanDerWaalsContact C-N 3.34Å |
| 110 | E | 98.8 | Very high | 98.8 | Very high | 93 Ų | 93 | 57.2 Ų | 57.2 | 44% | 0.435 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -96.9 | -22.7 | -169 | -66.4 | -179.5 | -174.2 | 0 | 0 | 114.4 | R106 L107 V108 | R106-E110 IonicContact CZ-OE1 2.7Å; R106-E110 IonicContact NE-OE1 2.73Å; R106-E110 PolarHBondContact NE-OE1 2.67Å; R106-E110 IonicContact NH2-OE1 2.73Å; R106-E110 PolarHBondContact NH2-OE1 3.47Å; R106-E110 PolarHBondContact O-N 2.77Å; L107-E110 PolarHBondContact O-N 3.08Å; V108-E110 PolarHBondContact O-N 2.98Å |
| 111 | K | 98.8 | Very high | 98.8 | Very high | 127 Ų | 127 | 57.4 Ų | 57.4 | 55% | 0.552 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -116.2 | 5.3 | -170.8 | -50.7 | -60.4 | 178.5 | -164 | 0 | 113.5 | L107 F125 M129 | L107-K111 HydrophobicContact CD2-CG 3.98Å; L107-K111 WeakPolarHBondContact O-CA 3.43Å; L107-K111 VanDerWaalsContact O-CB 3.22Å; L107-K111 WeakPolarHBondContact O-CB 3.42Å; L107-K111 PolarHBondContact O-N 2.9Å; K111-F125 HydrophobicContact CB-CZ 4.18Å; K111-M129 HydrophobicContact CB-SD 4.1Å; K111-M129 HydrophobicContact CG-SD 4.2Å |
| 112 | T | 98.8 | Very high | 98.8 | Very high | 28 Ų | 28 | 57.4 Ų | 57.4 | 17% | 0.172 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -137.3 | 158.9 | 177.1 | 84.7 | 0 | 0 | 0 | 0 | 111 | V108 H114 F125 | V108-T112 WeakPolarHBondContact O-CB 3.38Å; V108-T112 PolarHBondContact O-N 3.31Å; V108-T112 PolarHBondContact O-OG1 2.87Å; T112-H114 PolarHBondContact O-N 3.29Å; T112-H114 PolarHBondContact OG1-N 3.09Å; T112-H114 VanDerWaalsContact OG1-N 3.08Å; T112-H114 PolarHBondContact OG1-O 2.84Å; T112-F125 HydrophobicContact CG2-CD2 4.12Å; T112-F125 HydrophobicContact CG2-CE1 4.11Å; T112-F125 HydrophobicContact CG2-CE2 3.38Å; T112-F125 HydrophobicContact CG2-CZ 3.37Å |
| 113 | P | 98.6 | Very high | 98.8 | Very high | 123 Ų | 123 | 60.1 Ų | 60.1 | 80% | 0.799 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -82.9 | 15.7 | 169.2 | 35.8 | -35.8 | 0 | 0 | 0 | 112.6 | ||
| 114 | H | 98.8 | Very high | 98.8 | Very high | 107 Ų | 107 | 62 Ų | 62 | 50% | 0.495 | 33% | 0.334 | S | S | . | . | trans | -120.4 | 153.4 | -173.5 | -54.5 | -48.9 | 0 | 0 | 0 | 110.6 | V108 T112 | V108-H114 WeakPolarHBondContact CG1-O 3.38Å; T112-H114 PolarHBondContact O-N 3.29Å; T112-H114 PolarHBondContact OG1-N 3.09Å; T112-H114 VanDerWaalsContact OG1-N 3.08Å; T112-H114 PolarHBondContact OG1-O 2.84Å | ||
| 115 | C | 98.8 | Very high | 98.8 | Very high | 75 Ų | 75 | 63.2 Ų | 63.2 | 51% | 0.507 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -97.9 | -17.2 | 179.7 | -54.2 | 0 | 0 | 0 | 0 | 113.4 | V89 G90 A91 | V89-C115 HydrophobicContact CB-CB 4.13Å; V89-C115 HydrophobicContact CG1-CB 3.97Å; G90-C115 CarbonylContact C-O 3.56Å; G90-C115 WeakPolarHBondContact CA-O 3.42Å; A91-C115 PolarHBondContact N-O 3.25Å |
| 116 | F | 98.9 | Very high | 98.8 | Very high | 84 Ų | 84 | 63.4 Ų | 63.4 | 37% | 0.368 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 123 | -169.5 | -164.4 | 176.1 | 0 | 0 | 0 | 111.8 | A91 S93 P201 | A91-F116 HydrophobicContact CB-CB 4.16Å; A91-F116 HydrophobicContact CB-CD1 4.37Å; A91-F116 HydrophobicContact CB-CD2 3.68Å; A91-F116 HydrophobicContact CB-CE2 4.19Å; A91-F116 HydrophobicContact CB-CG 3.82Å; A91-F116 WeakPolarHBondContact O-CA 3.29Å; A91-F116 WeakPolarHBondContact O-CD2 3.12Å; S93-F116 WeakPolarHBondContact OG-CE2 3.29Å; S93-F116 WeakPolarHBondContact OG-CZ 3.35Å; F116-P201 HydrophobicContact CE1-CB 4.22Å; F116-P201 HydrophobicContact CE1-CG 4.45Å; F116-P201 HydrophobicContact CE2-CB 3.88Å; F116-P201 HydrophobicContact CE2-CG 4.46Å; F116-P201 HydrophobicContact CZ-CB 3.56Å; F116-P201 HydrophobicContact CZ-CG 3.77Å |
| 117 | L | 98.9 | Very high | 98.8 | Very high | 36 Ų | 36 | 65 Ų | 65 | 19% | 0.188 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 154.6 | 169.8 | -58.8 | -178.2 | 0 | 0 | 0 | 111 | A91 V92 S93 V108 A122 F125 | A91-L117 PolarHBondContact O-N 2.62Å; A91-L117 VanDerWaalsContact O-N 3.12Å; V92-L117 VanDerWaalsContact CA-O 3.24Å; V92-L117 WeakPolarHBondContact CA-O 3.37Å; S93-L117 PolarHBondContact N-O 2.84Å; V108-L117 HydrophobicContact CG1-CG 4.4Å; V108-L117 HydrophobicContact CG2-CB 4.42Å; V108-L117 HydrophobicContact CG2-CD1 3.85Å; V108-L117 HydrophobicContact CG2-CG 4.02Å; L117-A122 HydrophobicContact CB-CB 3.91Å; L117-F125 HydrophobicContact CD1-CB 3.69Å; L117-F125 HydrophobicContact CD1-CD1 3.7Å; L117-F125 HydrophobicContact CD1-CD2 4.45Å; L117-F125 HydrophobicContact CD1-CE1 4.48Å; L117-F125 HydrophobicContact CD1-CG 3.69Å |
| 118 | T | 98.9 | Very high | 98.8 | Very high | 74 Ų | 74 | 66.5 Ų | 66.5 | 45% | 0.454 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 151.1 | 179.7 | -169.6 | 0 | 0 | 0 | 0 | 111.9 | S93 Q120 G121 A122 | S93-T118 WeakPolarHBondContact O-CA 3.43Å; S93-T118 PolarHBondContact O-OG1 2.87Å; S93-T118 VanDerWaalsContact OG-CB 3.28Å; S93-T118 WeakPolarHBondContact OG-CB 3.38Å; S93-T118 PolarHBondContact OG-OG1 3.44Å; T118-Q120 PolarHBondContact O-N 2.93Å; T118-G121 PolarHBondContact O-N 2.92Å; T118-G121 VanDerWaalsContact O-N 3.08Å; T118-A122 PolarHBondContact O-N 3.28Å |
| 119 | D | 98.8 | Very high | 98.8 | Very high | 70 Ų | 70 | 70.3 Ų | 70.3 | 37% | 0.374 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | 42.8 | -116.7 | 166.7 | -174.6 | 17.7 | 0 | 0 | 0 | 112.7 | S93 A94 G121 A122 A123 | S93-D119 PolarHBondContact O-N 2.89Å; A94-D119 HydrophobicContact CB-CB 4.41Å; D119-G121 VanDerWaalsContact C-N 3.33Å; D119-G121 PolarHBondContact O-N 2.94Å; D119-A122 PolarHBondContact O-N 3.38Å; D119-A122 VanDerWaalsContact O-N 3.16Å; D119-A123 PolarHBondContact O-N 3.26Å |
| 120 | Q | 98.7 | Very high | 98.8 | Very high | 142 Ų | 142 | 71.9 Ų | 71.9 | 66% | 0.664 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -57.9 | -42 | -175.5 | -63 | 179.7 | -18.4 | 0 | 0 | 113.2 | T118 A123 Q124 | T118-Q120 PolarHBondContact O-N 2.93Å; Q120-A123 PolarHBondContact O-N 2.93Å; Q120-Q124 VanDerWaalsContact O-CG 3.3Å; Q120-Q124 WeakPolarHBondContact O-CG 3.31Å; Q120-Q124 PolarHBondContact O-N 3.46Å |
| 121 | G | 98.8 | Very high | 98.7 | Very high | 35 Ų | 35 | 69.3 Ų | 69.3 | 36% | 0.361 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -68.8 | -38.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112 | T118 D119 F125 | T118-G121 PolarHBondContact O-N 2.92Å; T118-G121 VanDerWaalsContact O-N 3.08Å; D119-G121 VanDerWaalsContact C-N 3.33Å; D119-G121 PolarHBondContact O-N 2.94Å; G121-F125 WeakPolarHBondContact O-CB 3.05Å; G121-F125 PolarHBondContact O-N 3.11Å |
| 122 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -67 | -39.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V92 V95 L104 L117 T118 D119 F125 A126 | V92-A122 HydrophobicContact CG1-CB 4.24Å; V95-A122 HydrophobicContact CG1-CB 3.54Å; L104-A122 HydrophobicContact CD2-CB 4.48Å; L117-A122 HydrophobicContact CB-CB 3.91Å; T118-A122 PolarHBondContact O-N 3.28Å; D119-A122 PolarHBondContact O-N 3.38Å; D119-A122 VanDerWaalsContact O-N 3.16Å; A122-F125 PolarHBondContact O-N 2.73Å; A122-A126 WeakPolarHBondContact O-CB 3.43Å; A122-A126 PolarHBondContact O-N 3.47Å |
| 123 | A | 98.6 | Very high | 98.7 | Very high | 57 Ų | 57 | 74.3 Ų | 74.3 | 47% | 0.471 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -65.2 | -44 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | D119 Q120 F125 A126 A127 | D119-A123 PolarHBondContact O-N 3.26Å; Q120-A123 PolarHBondContact O-N 2.93Å; A123-F125 VanDerWaalsContact C-N 3.31Å; A123-F125 PolarHBondContact O-N 2.82Å; A123-A126 WeakPolarHBondContact O-CB 3.41Å; A123-A126 PolarHBondContact O-N 2.79Å; A123-A127 PolarHBondContact O-N 2.86Å |
| 124 | Q | 98.9 | Very high | 98.7 | Very high | 140 Ų | 140 | 70 Ų | 70 | 65% | 0.654 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -61.3 | -41.6 | 174.7 | -72.1 | 170.7 | 11.4 | 0 | 0 | 111.6 | Q120 A127 A128 | Q120-Q124 VanDerWaalsContact O-CG 3.3Å; Q120-Q124 WeakPolarHBondContact O-CG 3.31Å; Q120-Q124 PolarHBondContact O-N 3.46Å; Q124-A127 PolarHBondContact O-N 3.02Å; Q124-A128 PolarHBondContact O-N 2.95Å |
| 125 | F | 98.9 | Very high | 98.7 | Very high | 28 Ų | 28 | 68.2 Ų | 68.2 | 12% | 0.123 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -65.4 | -42 | 175.7 | 177.8 | -112.9 | 0 | 0 | 0 | 112.1 | L104 L107 V108 K111 T112 L117 G121 A122 A123 A127 A128 M129 | L104-F125 HydrophobicContact CD1-CD1 3.76Å; L104-F125 HydrophobicContact CD1-CE1 4.05Å; L107-F125 HydrophobicContact CB-CE1 3.86Å; L107-F125 HydrophobicContact CB-CZ 4.14Å; V108-F125 HydrophobicContact CG2-CD1 3.99Å; V108-F125 HydrophobicContact CG2-CE1 3.75Å; K111-F125 HydrophobicContact CB-CZ 4.18Å; T112-F125 HydrophobicContact CG2-CD2 4.12Å; T112-F125 HydrophobicContact CG2-CE1 4.11Å; T112-F125 HydrophobicContact CG2-CE2 3.38Å; T112-F125 HydrophobicContact CG2-CZ 3.37Å; L117-F125 HydrophobicContact CD1-CB 3.69Å; L117-F125 HydrophobicContact CD1-CD1 3.7Å; L117-F125 HydrophobicContact CD1-CD2 4.45Å; L117-F125 HydrophobicContact CD1-CE1 4.48Å; L117-F125 HydrophobicContact CD1-CG 3.69Å; G121-F125 WeakPolarHBondContact O-CB 3.05Å; G121-F125 PolarHBondContact O-N 3.11Å; A122-F125 PolarHBondContact O-N 2.73Å; A123-F125 VanDerWaalsContact C-N 3.31Å; A123-F125 PolarHBondContact O-N 2.82Å; F125-A127 VanDerWaalsContact C-N 3.31Å; F125-A127 PolarHBondContact O-N 3.01Å; F125-A128 PolarHBondContact O-N 3.02Å; F125-M129 HydrophobicContact CD1-CG 4.47Å; F125-M129 HydrophobicContact CD2-CG 4.15Å; F125-M129 HydrophobicContact CE1-CG 4.02Å; F125-M129 HydrophobicContact CE2-CE 4.01Å; F125-M129 HydrophobicContact CE2-CG 3.65Å; F125-M129 HydrophobicContact CE2-SD 3.94Å; F125-M129 HydrophobicContact CZ-CG 3.57Å; F125-M129 HydrophobicContact CZ-SD 4.01Å; F125-M129 WeakPolarHBondContact O-CG 3.39Å; F125-M129 PolarHBondContact O-N 3.48Å |
| 126 | A | 98.8 | Very high | 98.5 | Very high | 4 Ų | 4 | 65.9 Ų | 65.9 | 3% | 0.033 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -57.1 | -45.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L104 A122 A123 M129 G130 V131 | L104-A126 HydrophobicContact CD1-CB 3.75Å; L104-A126 HydrophobicContact CD2-CB 3.94Å; A122-A126 WeakPolarHBondContact O-CB 3.43Å; A122-A126 PolarHBondContact O-N 3.47Å; A123-A126 WeakPolarHBondContact O-CB 3.41Å; A123-A126 PolarHBondContact O-N 2.79Å; A126-M129 PolarHBondContact O-N 2.85Å; A126-G130 PolarHBondContact O-N 3.19Å; A126-V131 HydrophobicContact CB-CB 4.02Å; A126-V131 HydrophobicContact CB-CG2 4.32Å; A126-V131 WeakPolarHBondContact O-CB 3.41Å; A126-V131 PolarHBondContact O-N 2.85Å |
| 127 | A | 98.6 | Very high | 98.4 | Very high | 72 Ų | 72 | 69 Ų | 69 | 60% | 0.595 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -61.8 | -44 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A123 Q124 F125 M129 G130 | A123-A127 PolarHBondContact O-N 2.86Å; Q124-A127 PolarHBondContact O-N 3.02Å; F125-A127 VanDerWaalsContact C-N 3.31Å; F125-A127 PolarHBondContact O-N 3.01Å; A127-M129 PolarHBondContact O-N 3.43Å; A127-G130 PolarHBondContact O-N 2.78Å |
| 128 | A | 98.6 | Very high | 98.4 | Very high | 74 Ų | 74 | 74 Ų | 74 | 61% | 0.612 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -62.8 | -30.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | Q124 F125 G130 | Q124-A128 PolarHBondContact O-N 2.95Å; F125-A128 PolarHBondContact O-N 3.02Å; A128-G130 VanDerWaalsContact C-N 3.32Å |
| 129 | M | 98.7 | Very high | 98.3 | Very high | 80 Ų | 80 | 70.6 Ų | 70.6 | 39% | 0.394 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -0.9 | 175.9 | -64.9 | -61.9 | 99.8 | 0 | 0 | 113.5 | L107 K111 F125 A126 A127 V131 | L107-M129 HydrophobicContact CD1-CB 3.92Å; L107-M129 HydrophobicContact CD1-CG 4.21Å; K111-M129 HydrophobicContact CB-SD 4.1Å; K111-M129 HydrophobicContact CG-SD 4.2Å; F125-M129 HydrophobicContact CD1-CG 4.47Å; F125-M129 HydrophobicContact CD2-CG 4.15Å; F125-M129 HydrophobicContact CE1-CG 4.02Å; F125-M129 HydrophobicContact CE2-CE 4.01Å; F125-M129 HydrophobicContact CE2-CG 3.65Å; F125-M129 HydrophobicContact CE2-SD 3.94Å; F125-M129 HydrophobicContact CZ-CG 3.57Å; F125-M129 HydrophobicContact CZ-SD 4.01Å; F125-M129 WeakPolarHBondContact O-CG 3.39Å; F125-M129 PolarHBondContact O-N 3.48Å; A126-M129 PolarHBondContact O-N 2.85Å; A127-M129 PolarHBondContact O-N 3.43Å; M129-V131 VanDerWaalsContact C-N 3.35Å; M129-V131 HydrophobicContact CB-CG2 4.35Å |
| 130 | G | 98.5 | Very high | 98.3 | Very high | 60 Ų | 60 | 68.7 Ų | 68.7 | 62% | 0.619 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.3 | 23.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | A126 A127 A128 P132 | A126-G130 PolarHBondContact O-N 3.19Å; A127-G130 PolarHBondContact O-N 2.78Å; A128-G130 VanDerWaalsContact C-N 3.32Å; G130-P132 WeakPolarHBondContact O-CD 3.41Å |
| 131 | V | 98.6 | Very high | 98.2 | Very high | 39 Ų | 39 | 63.1 Ų | 63.1 | 24% | 0.236 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 126.5 | 172.9 | 179.6 | 0 | 0 | 0 | 0 | 108.7 | I98 L104 L107 A126 M129 E133 | I98-V131 HydrophobicContact CB-CG1 4.27Å; I98-V131 HydrophobicContact CG2-CG1 3.87Å; L104-V131 HydrophobicContact CD1-CG2 4.42Å; L107-V131 HydrophobicContact CD1-CG2 3.86Å; A126-V131 HydrophobicContact CB-CB 4.02Å; A126-V131 HydrophobicContact CB-CG2 4.32Å; A126-V131 WeakPolarHBondContact O-CB 3.41Å; A126-V131 PolarHBondContact O-N 2.85Å; M129-V131 VanDerWaalsContact C-N 3.35Å; M129-V131 HydrophobicContact CB-CG2 4.35Å; V131-E133 PolarHBondContact O-N 2.83Å |
| 132 | P | 98.3 | Very high | 98.1 | Very high | 96 Ų | 96 | 66.9 Ų | 66.9 | 62% | 0.623 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 127.9 | -179.2 | -23.6 | 34 | 0 | 0 | 0 | 112.4 | G130 | G130-P132 WeakPolarHBondContact O-CD 3.41Š|
| 133 | E | 98.3 | Very high | 97.8 | Very high | 165 Ų | 165 | 69.5 Ų | 69.5 | 77% | 0.771 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -76 | 128.9 | 164.9 | -169.4 | -179.4 | 170.9 | 0 | 0 | 109.3 | C97 V131 | C97-E133 HydrophobicContact CB-CG 3.87Å; C97-E133 CarbonylContact O-C 3.56Å; C97-E133 WeakPolarHBondContact O-CA 3.3Å; V131-E133 PolarHBondContact O-N 2.83Å |
| 134 | I | 98.3 | Very high | 97.7 | Very high | 32 Ų | 32 | 66.8 Ų | 66.8 | 16% | 0.164 | 38% | 0.38 | C | S | . | . | trans | -117.7 | 147.9 | 178.5 | 59.8 | 168 | 0 | 0 | 0 | 110.8 | C97 A99 G136 K138 L139 | C97-I134 WeakPolarHBondContact CA-O 3.29Å; C97-I134 VanDerWaalsContact CB-O 3.28Å; C97-I134 WeakPolarHBondContact CB-O 3.5Å; C97-I134 WeakPolarHBondContact O-CG1 3.38Å; C97-I134 PolarHBondContact O-N 2.7Å; A99-I134 HydrophobicContact CB-CD1 4.2Å; I134-G136 PolarHBondContact O-N 3.31Å; I134-K138 HydrophobicContact CB-CD 4.36Å; I134-K138 HydrophobicContact CD1-CB 4.42Å; I134-L139 HydrophobicContact CD1-CD1 4.43Å; I134-L139 HydrophobicContact CD1-CD2 3.76Å; I134-L139 HydrophobicContact CD1-CG 3.96Å | ||
| 135 | P | 98.1 | Very high | 97.6 | Very high | 70 Ų | 70 | 64.1 Ų | 64.1 | 46% | 0.455 | 37% | 0.366 | S | S | . | . | trans | -55.6 | 133.8 | 172.5 | -24.2 | 33.2 | 0 | 0 | 0 | 111.2 | E137 K138 | P135-E137 PolarHBondContact O-N 3.05Å; P135-E137 VanDerWaalsContact O-N 3.15Å; P135-K138 HydrophobicContact CB-CG 4.47Å; P135-K138 WeakPolarHBondContact O-CB 3.45Å; P135-K138 PolarHBondContact O-N 2.98Å | ||
| 136 | G | 95.7 | Very high | 97.4 | Very high | 26 Ų | 26 | 69.4 Ų | 69.4 | 27% | 0.268 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -56.9 | -31.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113 | I134 K138 L139 V140 | I134-G136 PolarHBondContact O-N 3.31Å; G136-K138 PolarHBondContact O-N 3.31Å; G136-K138 VanDerWaalsContact O-N 3.14Å; G136-L139 WeakPolarHBondContact O-CB 3.39Å; G136-L139 PolarHBondContact O-N 3.46Å; G136-V140 PolarHBondContact O-N 3.17Å |
| 137 | E | 96.9 | Very high | 97.1 | Very high | 149 Ų | 149 | 72.3 Ų | 72.3 | 70% | 0.696 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -59.7 | -25.5 | 177 | -63.7 | 76 | -167.5 | 0 | 0 | 113.1 | P135 L139 V140 | P135-E137 PolarHBondContact O-N 3.05Å; P135-E137 VanDerWaalsContact O-N 3.15Å; E137-L139 PolarHBondContact O-N 3.18Å; E137-V140 PolarHBondContact O-N 2.7Å |
| 138 | K | 97.8 | Very high | 96.9 | Very high | 140 Ų | 140 | 69.4 Ų | 69.4 | 61% | 0.609 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -67.8 | -24.4 | 175.7 | -68.4 | -168.4 | 178.7 | 178.2 | 0 | 112.9 | C65 I134 P135 G136 | C65-K138 PolarHBondContact SG-O 2.95Å; I134-K138 HydrophobicContact CB-CD 4.36Å; I134-K138 HydrophobicContact CD1-CB 4.42Å; P135-K138 HydrophobicContact CB-CG 4.47Å; P135-K138 WeakPolarHBondContact O-CB 3.45Å; P135-K138 PolarHBondContact O-N 2.98Å; G136-K138 PolarHBondContact O-N 3.31Å; G136-K138 VanDerWaalsContact O-N 3.14Å |
| 139 | L | 98.1 | Very high | 96.7 | Very high | 3 Ų | 3 | 71.4 Ų | 71.4 | 2% | 0.016 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -21.5 | 177.2 | -60.5 | 174.3 | 0 | 0 | 0 | 112 | C65 G66 V75 M77 I134 G136 E137 | C65-L139 HydrophobicContact CB-CD2 4.35Å; G66-L139 PolarHBondContact N-O 2.97Å; V75-L139 HydrophobicContact CB-CB 4.27Å; V75-L139 HydrophobicContact CB-CD1 4.45Å; V75-L139 HydrophobicContact CG1-CB 4.25Å; V75-L139 HydrophobicContact CG1-CD1 4.07Å; V75-L139 HydrophobicContact CG2-CB 4.05Å; M77-L139 HydrophobicContact CE-CD1 3.74Å; M77-L139 HydrophobicContact SD-CD1 4.38Å; I134-L139 HydrophobicContact CD1-CD1 4.43Å; I134-L139 HydrophobicContact CD1-CD2 3.76Å; I134-L139 HydrophobicContact CD1-CG 3.96Å; G136-L139 WeakPolarHBondContact O-CB 3.39Å; G136-L139 PolarHBondContact O-N 3.46Å; E137-L139 PolarHBondContact O-N 3.18Å |
| 140 | V | 98.1 | Very high | 96.3 | Very high | 31 Ų | 31 | 73.6 Ų | 73.6 | 19% | 0.188 | 38% | 0.378 | C | S | . | . | trans | -84.1 | 132.7 | -175.3 | 178.9 | 0 | 0 | 0 | 0 | 110.8 | L69 V75 G136 E137 K145 | L69-V140 HydrophobicContact CD1-CG1 4.4Å; L69-V140 HydrophobicContact CD2-CG1 4.14Å; L69-V140 HydrophobicContact CD2-CG2 3.93Å; V75-V140 HydrophobicContact CG2-CG2 4.03Å; G136-V140 PolarHBondContact O-N 3.17Å; E137-V140 PolarHBondContact O-N 2.7Å; V140-K145 HydrophobicContact CG1-CD 4.23Å; V140-K145 HydrophobicContact CG1-CG 3.76Å | ||
| 141 | T | 96.8 | Very high | 95.8 | Very high | 24 Ų | 24 | 72 Ų | 72 | 15% | 0.147 | 35% | 0.354 | C | S | . | . | trans | -110.5 | 148.5 | 173.1 | 65.4 | 0 | 0 | 0 | 0 | 111.6 | P59 K143 N144 K145 | P59-T141 HydrophobicContact CB-CG2 4.11Å; T141-K143 PolarHBondContact O-N 3.21Å; T141-N144 PolarHBondContact O-N 3.41Å; T141-N144 PolarHBondContact OG1-N 3.4Å; T141-N144 PolarHBondContact OG1-ND2 2.85Å; T141-K145 PolarHBondContact O-N 3.14Å | ||
| 142 | E | 96.8 | Very high | 95.3 | Very high | 114 Ų | 114 | 75.1 Ų | 75.1 | 53% | 0.533 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -56.8 | -31.9 | 173 | -69.7 | -55.5 | 128.7 | 0 | 0 | 112.4 | N144 K145 K146 | E142-N144 VanDerWaalsContact C-N 3.34Å; E142-N144 PolarHBondContact O-N 2.98Å; E142-K145 WeakPolarHBondContact OE1-CD 3.4Å; E142-K145 WeakPolarHBondContact OE1-CE 3.43Å; E142-K145 IonicContact OE1-NZ 2.8Å; E142-K145 PolarHBondContact OE1-NZ 3.21Å; E142-K146 WeakPolarHBondContact O-CG 3.44Å; E142-K146 PolarHBondContact O-N 2.94Å |
| 143 | K | 93.3 | Very high | 94.7 | Very high | 55 Ų | 55 | 78.2 Ų | 78.2 | 24% | 0.239 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -56.5 | -46.7 | 172 | 179.1 | -176.8 | 67.1 | -174 | 0 | 111.3 | P59 E60 T141 R147 | P59-K143 PolarHBondContact O-NZ 3.32Å; E60-K143 PolarHBondContact O-NZ 3.18Å; E60-K143 IonicContact OE2-NZ 3.62Å; E60-K143 PolarHBondContact OE2-NZ 3.49Å; T141-K143 PolarHBondContact O-N 3.21Å; K143-R147 WeakPolarHBondContact O-CD 3.32Å; K143-R147 VanDerWaalsContact O-CG 3.29Å; K143-R147 WeakPolarHBondContact O-CG 3.22Å; K143-R147 PolarHBondContact O-N 3.34Å |
| 144 | N | 95 | Very high | 93.6 | Very high | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -80.8 | -28.5 | -176.5 | -70.1 | -25 | 0 | 0 | 0 | 113.3 | G66 S67 L69 T141 E142 R147 L148 | G66-N144 PolarHBondContact O-ND2 3.48Å; S67-N144 PolarHBondContact O-ND2 3.35Å; L69-N144 HydrophobicContact CG-CB 4.21Å; T141-N144 PolarHBondContact O-N 3.41Å; T141-N144 PolarHBondContact OG1-N 3.4Å; T141-N144 PolarHBondContact OG1-ND2 2.85Å; E142-N144 VanDerWaalsContact C-N 3.34Å; E142-N144 PolarHBondContact O-N 2.98Å; N144-R147 PolarHBondContact O-N 3.28Å; N144-R147 WeakPolarHBondContact OD1-CD 3.34Å; N144-R147 PolarHBondContact OD1-NH1 3.48Å; N144-L148 PolarHBondContact O-N 3.11Å |
| 145 | K | 96.9 | Very high | 91.7 | Very high | 84 Ų | 84 | 77.8 Ų | 77.8 | 37% | 0.365 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -57.4 | -53.3 | 168.2 | -68.5 | -177.7 | -175.2 | 168.3 | 0 | 111.3 | L69 V140 T141 E142 R147 L148 E149 | L69-K145 HydrophobicContact CD1-CG 4.19Å; V140-K145 HydrophobicContact CG1-CD 4.23Å; V140-K145 HydrophobicContact CG1-CG 3.76Å; T141-K145 PolarHBondContact O-N 3.14Å; E142-K145 WeakPolarHBondContact OE1-CD 3.4Å; E142-K145 WeakPolarHBondContact OE1-CE 3.43Å; E142-K145 IonicContact OE1-NZ 2.8Å; E142-K145 PolarHBondContact OE1-NZ 3.21Å; K145-R147 VanDerWaalsContact C-N 3.27Å; K145-R147 PolarHBondContact O-N 3.26Å; K145-L148 PolarHBondContact O-N 3.32Å; K145-L148 VanDerWaalsContact O-N 3.11Å; K145-E149 WeakPolarHBondContact O-CG 3.32Å; K145-E149 PolarHBondContact O-N 2.91Å |
| 146 | K | 95 | Very high | 89.3 | Confident | 140 Ų | 140 | 78.2 Ų | 78.2 | 61% | 0.609 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -58.9 | -36.7 | 177.2 | -70.3 | 178.4 | -178.3 | 179.8 | 0 | 112.9 | E142 K150 | E142-K146 WeakPolarHBondContact O-CG 3.44Å; E142-K146 PolarHBondContact O-N 2.94Å; K146-K150 VanDerWaalsContact O-CB 3.28Å; K146-K150 WeakPolarHBondContact O-CB 3.42Å; K146-K150 PolarHBondContact O-N 3.4Å |
| 147 | R | 91.9 | Very high | 86.6 | Confident | 64 Ų | 64 | 80.2 Ų | 80.2 | 24% | 0.242 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -66.1 | -43.6 | 176.2 | -76.3 | 163.9 | 166.2 | 179.6 | -4.8 | 111.9 | K143 N144 K145 K150 E151 L166 I190 | K143-R147 WeakPolarHBondContact O-CD 3.32Å; K143-R147 VanDerWaalsContact O-CG 3.29Å; K143-R147 WeakPolarHBondContact O-CG 3.22Å; K143-R147 PolarHBondContact O-N 3.34Å; N144-R147 PolarHBondContact O-N 3.28Å; N144-R147 WeakPolarHBondContact OD1-CD 3.34Å; N144-R147 PolarHBondContact OD1-NH1 3.48Å; K145-R147 VanDerWaalsContact C-N 3.27Å; K145-R147 PolarHBondContact O-N 3.26Å; R147-K150 PolarHBondContact O-N 3.42Å; R147-E151 VanDerWaalsContact O-CB 3.29Å; R147-E151 WeakPolarHBondContact O-CB 3.28Å; R147-E151 PolarHBondContact O-N 2.97Å; R147-L166 VanDerWaalsContact CZ-CD2 3.4Å; R147-L166 VanDerWaalsContact NH1-CD2 3.26Å; R147-L166 VanDerWaalsContact NH2-CD2 3.34Å; R147-I190 HydrophobicContact CB-CD1 4.21Å; R147-I190 HydrophobicContact CB-CG1 4.38Å |
| 148 | L | 94.3 | Very high | 83.7 | Confident | 12 Ų | 12 | 82.7 Ų | 82.7 | 6% | 0.063 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -64.2 | -46.3 | 177.6 | -179.6 | 62.8 | 0 | 0 | 0 | 111.3 | L69 N70 N144 K145 K150 E151 K152 I190 N191 | L69-L148 HydrophobicContact CB-CB 4.31Å; L69-L148 HydrophobicContact CB-CD2 3.8Å; L69-L148 HydrophobicContact CB-CG 4.48Å; L69-L148 HydrophobicContact CD1-CB 4.22Å; L69-L148 HydrophobicContact CD1-CD2 4.01Å; N70-L148 WeakPolarHBondContact O-CD1 3.42Å; N70-L148 WeakPolarHBondContact O-CD2 3.3Å; N144-L148 PolarHBondContact O-N 3.11Å; K145-L148 PolarHBondContact O-N 3.32Å; K145-L148 VanDerWaalsContact O-N 3.11Å; L148-K150 PolarHBondContact O-N 3.22Å; L148-E151 PolarHBondContact O-N 3.44Å; L148-K152 HydrophobicContact CD1-CG 4.34Å; L148-K152 HydrophobicContact CG-CD 4.41Å; L148-K152 WeakPolarHBondContact O-CG 3.45Å; L148-K152 PolarHBondContact O-N 3.26Å; L148-I190 HydrophobicContact CB-CD1 4Å; L148-I190 HydrophobicContact CD1-CD1 4.36Å; L148-N191 HydrophobicContact CD1-CB 3.63Å |
| 149 | E | 94.4 | Very high | 81.1 | Confident | 116 Ų | 116 | 83.4 Ų | 83.4 | 54% | 0.542 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -56.3 | -51.4 | 176.5 | -71.1 | 170.5 | 178.1 | 0 | 0 | 110.9 | K145 E151 K152 H153 | K145-E149 WeakPolarHBondContact O-CG 3.32Å; K145-E149 PolarHBondContact O-N 2.91Å; E149-E151 PolarHBondContact O-N 3.13Å; E149-K152 PolarHBondContact O-N 3.3Å; E149-H153 PolarHBondContact O-CD2 3.34Å; E149-H153 PolarHBondContact O-N 3.18Å |
| 150 | K | 91.3 | Very high | 78.5 | Confident | 126 Ų | 126 | 90 Ų | 90 | 55% | 0.548 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -57.9 | -46.4 | 177.2 | -177 | 177.7 | 174.1 | -179.6 | 0 | 112 | K146 R147 L148 K152 H153 E154 | K146-K150 VanDerWaalsContact O-CB 3.28Å; K146-K150 WeakPolarHBondContact O-CB 3.42Å; K146-K150 PolarHBondContact O-N 3.4Å; R147-K150 PolarHBondContact O-N 3.42Å; L148-K150 PolarHBondContact O-N 3.22Å; K150-K152 VanDerWaalsContact C-N 3.35Å; K150-K152 PolarHBondContact O-N 3.24Å; K150-H153 PolarHBondContact O-N 3.48Å; K150-E154 WeakPolarHBondContact CE-OE1 3.32Å; K150-E154 HydrophobicContact CG-CG 4.35Å; K150-E154 IonicContact NZ-OE1 2.7Å; K150-E154 WeakPolarHBondContact O-CB 3.48Å; K150-E154 WeakPolarHBondContact O-CG 3.29Å; K150-E154 PolarHBondContact O-N 3.19Å |
| 151 | E | 88.5 | Confident | 76.2 | Confident | 26 Ų | 26 | 91.9 Ų | 91.9 | 12% | 0.121 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -63.9 | -38.2 | -179.8 | -173.6 | 62.2 | -154.9 | 0 | 0 | 112.1 | R147 L148 E149 E154 K155 I190 N191 | R147-E151 VanDerWaalsContact O-CB 3.29Å; R147-E151 WeakPolarHBondContact O-CB 3.28Å; R147-E151 PolarHBondContact O-N 2.97Å; L148-E151 PolarHBondContact O-N 3.44Å; E149-E151 PolarHBondContact O-N 3.13Å; E151-E154 PolarHBondContact O-N 3.31Å; E151-K155 WeakPolarHBondContact O-CB 3.2Å; E151-K155 WeakPolarHBondContact O-CG 2.75Å; E151-K155 PolarHBondContact O-N 3.13Å; E151-K155 VanDerWaalsContact O-N 3.08Å; E151-K155 WeakPolarHBondContact OE1-CE 3.18Å; E151-I190 HydrophobicContact CB-CG1 4.4Å; E151-I190 HydrophobicContact CG-CG2 4.29Å; E151-N191 HydrophobicContact CB-CB 4.4Å; E151-N191 HydrophobicContact CG-CB 3.74Å |
| 152 | K | 88.4 | Confident | 73.9 | Confident | 104 Ų | 104 | 92.8 Ų | 92.8 | 45% | 0.452 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.1 | -37.7 | 175.1 | -75.2 | -175.3 | 176.5 | -173.4 | 0 | 112.3 | T71 L148 E149 K150 | T71-K152 WeakPolarHBondContact O-CE 3.43Å; T71-K152 PolarHBondContact O-NZ 2.85Å; L148-K152 HydrophobicContact CD1-CG 4.34Å; L148-K152 HydrophobicContact CG-CD 4.41Å; L148-K152 WeakPolarHBondContact O-CG 3.45Å; L148-K152 PolarHBondContact O-N 3.26Å; E149-K152 PolarHBondContact O-N 3.3Å; K150-K152 VanDerWaalsContact C-N 3.35Å; K150-K152 PolarHBondContact O-N 3.24Å |
| 153 | H | 84.3 | Confident | 71.7 | Confident | 162 Ų | 162 | 92.6 Ų | 92.6 | 75% | 0.75 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -71.9 | -38.8 | 175.8 | -73.6 | -63.4 | 0 | 0 | 0 | 112.8 | E149 K150 | E149-H153 PolarHBondContact O-CD2 3.34Å; E149-H153 PolarHBondContact O-N 3.18Å; K150-H153 PolarHBondContact O-N 3.48Å |
| 154 | E | 75.3 | Confident | 69.7 | Low | 76 Ų | 76 | 94.2 Ų | 94.2 | 36% | 0.355 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -73.8 | -28.4 | -179.4 | -72.9 | -176.1 | 176.2 | 0 | 0 | 113.3 | K150 E151 G156 A157 K164 | K150-E154 WeakPolarHBondContact CE-OE1 3.32Å; K150-E154 HydrophobicContact CG-CG 4.35Å; K150-E154 IonicContact NZ-OE1 2.7Å; K150-E154 WeakPolarHBondContact O-CB 3.48Å; K150-E154 WeakPolarHBondContact O-CG 3.29Å; K150-E154 PolarHBondContact O-N 3.19Å; E151-E154 PolarHBondContact O-N 3.31Å; E154-G156 PolarHBondContact O-N 3.13Å; E154-A157 PolarHBondContact O-N 2.73Å; E154-K164 IonicContact OE2-NZ 2.77Å; E154-K164 PolarHBondContact OE2-NZ 3.32Å |
| 155 | K | 59.5 | Low | 68.1 | Low | 111 Ų | 111 | 95.5 Ų | 95.5 | 48% | 0.483 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -2.2 | 176.8 | -82.8 | -171.3 | -174.1 | 175.7 | 0 | 115.3 | E151 A157 N191 | E151-K155 WeakPolarHBondContact O-CB 3.2Å; E151-K155 WeakPolarHBondContact O-CG 2.75Å; E151-K155 PolarHBondContact O-N 3.13Å; E151-K155 VanDerWaalsContact O-N 3.08Å; E151-K155 WeakPolarHBondContact OE1-CE 3.18Å; K155-A157 PolarHBondContact O-N 3.14Å; K155-N191 WeakPolarHBondContact CD-ND2 3.35Å; K155-N191 PolarHBondContact NZ-ND2 3.4Å; K155-N191 VanDerWaalsContact NZ-ND2 3.14Å |
| 156 | G | 47.3 | Very low | 66.6 | Low | 80 Ų | 80 | 93.1 Ų | 93.1 | 83% | 0.825 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -14.9 | 157.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | E154 | E154-G156 PolarHBondContact O-N 3.13Š|
| 157 | A | 38.5 | Very low | 65.5 | Low | 68 Ų | 68 | 87.1 Ų | 87.1 | 56% | 0.562 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -122.1 | 115.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | E154 K155 K159 | E154-A157 PolarHBondContact O-N 2.73Å; K155-A157 PolarHBondContact O-N 3.14Å; A157-K159 PolarHBondContact O-N 2.61Å |
| 158 | Q | 35.6 | Very low | 65.5 | Low | 200 Ų | 200 | 84.4 Ų | 84.4 | 94% | 0.935 | 44% | 0.44 | S | S | * | . | trans | -55.7 | 100.4 | 177.8 | -72.9 | 169.7 | -26.7 | 0 | 0 | 112.6 | ||||
| 159 | K | 44.1 | Very low | 65.7 | Low | 156 Ų | 156 | 83.8 Ų | 83.8 | 68% | 0.678 | 44% | 0.437 | S | S | * | . | trans | -142.5 | 111.1 | 159.2 | -75.9 | -167.6 | 178.5 | -176.7 | 0 | 111.5 | A157 D161 | A157-K159 PolarHBondContact O-N 2.61Å; K159-D161 VanDerWaalsContact C-N 3.26Å; K159-D161 PolarHBondContact O-N 3.12Å; K159-D161 VanDerWaalsContact O-N 3.13Å | ||
| 160 | T | 43.7 | Very low | 65.9 | Low | 142 Ų | 142 | 78.3 Ų | 78.3 | 87% | 0.871 | 41% | 0.412 | S | S | * | . | trans | -78.7 | 73.3 | 164.5 | 46.5 | 0 | 0 | 0 | 0 | 109.1 | C162 | T160-C162 PolarHBondContact O-N 2.7Š| ||
| 161 | D | 50.3 | Low | 66.3 | Low | 69 Ų | 69 | 72.3 Ų | 72.3 | 37% | 0.369 | 39% | 0.386 | S | S | . | . | trans | -82 | 112.7 | 176.1 | -94.2 | -25.5 | 0 | 0 | 0 | 110.3 | K159 E163 K164 | K159-D161 VanDerWaalsContact C-N 3.26Å; K159-D161 PolarHBondContact O-N 3.12Å; K159-D161 VanDerWaalsContact O-N 3.13Å; D161-E163 PolarHBondContact O-N 3Å; D161-E163 VanDerWaalsContact O-N 3.13Å; D161-K164 HydrophobicContact CB-CD 4.43Å; D161-K164 HydrophobicContact CB-CG 4.13Å; D161-K164 PolarHBondContact O-N 3.02Å | ||
| 162 | C | 47.8 | Very low | 66.8 | Low | 43 Ų | 43 | 71 Ų | 71 | 29% | 0.291 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -59 | -20.8 | 173.3 | -63.3 | 0 | 0 | 0 | 0 | 112.3 | T160 | T160-C162 PolarHBondContact O-N 2.7Š|
| 163 | E | 50 | Low | 67.3 | Low | 111 Ų | 111 | 66.1 Ų | 66.1 | 52% | 0.519 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -78.8 | -17.8 | -176.4 | -63.4 | -174 | 162.4 | 0 | 0 | 114.3 | G13 D161 | G13-E163 WeakPolarHBondContact CA-O 3.39Å; G13-E163 PolarHBondContact N-O 3.41Å; D161-E163 PolarHBondContact O-N 3Å; D161-E163 VanDerWaalsContact O-N 3.13Å |
| 164 | K | 52.6 | Low | 68 | Low | 88 Ų | 88 | 58.4 Ų | 58.4 | 38% | 0.383 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -85.2 | -9.9 | -179.1 | -66.2 | -172.4 | -176.4 | -177.4 | 0 | 113.6 | E154 D161 | E154-K164 IonicContact OE2-NZ 2.77Å; E154-K164 PolarHBondContact OE2-NZ 3.32Å; D161-K164 HydrophobicContact CB-CD 4.43Å; D161-K164 HydrophobicContact CB-CG 4.13Å; D161-K164 PolarHBondContact O-N 3.02Å |
| 165 | N | 60.5 | Low | 69.1 | Low | 27 Ų | 27 | 55 Ų | 55 | 14% | 0.144 | 31% | 0.307 | C | S | . | . | trans | -70.5 | 136.1 | -176.4 | -74.7 | -30.2 | 0 | 0 | 0 | 111.4 | A12 I189 | A12-N165 WeakPolarHBondContact CB-O 3.47Å; N165-I189 HydrophobicContact CB-CG2 4.35Å; N165-I189 WeakPolarHBondContact OD1-CG2 3.33Å | ||
| 166 | L | 66.3 | Low | 70.9 | Confident | 35 Ų | 35 | 52.1 Ų | 52.1 | 18% | 0.183 | 30% | 0.304 | C | S | . | . | trans | -88.6 | 155.3 | 179.6 | -73.3 | 154.3 | 0 | 0 | 0 | 111.1 | N62 V68 R147 T168 | N62-L166 HydrophobicContact CB-CB 4.11Å; N62-L166 PolarHBondContact ND2-O 3.37Å; V68-L166 HydrophobicContact CG1-CB 3.79Å; V68-L166 HydrophobicContact CG1-CD1 3.28Å; V68-L166 HydrophobicContact CG1-CG 4.16Å; R147-L166 VanDerWaalsContact CZ-CD2 3.4Å; R147-L166 VanDerWaalsContact NH1-CD2 3.26Å; R147-L166 VanDerWaalsContact NH2-CD2 3.34Å; L166-T168 PolarHBondContact O-N 3.4Å | ||
| 167 | G | 70.1 | Confident | 73.4 | Confident | 13 Ų | 13 | 56.7 Ų | 56.7 | 13% | 0.134 | 30% | 0.301 | C | S | . | . | trans | -80.4 | 114.5 | -160.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | N62 | N62-G167 WeakPolarHBondContact CB-O 3.4Š| ||
| 168 | T | 92.3 | Very high | 76.2 | Confident | 7 Ų | 7 | 54.4 Ų | 54.4 | 4% | 0.043 | 28% | 0.284 | C | S | . | . | trans | -50.3 | 143.9 | 157.1 | -64.1 | 0 | 0 | 0 | 0 | 110.7 | H8 G9 G10 L166 T184 T186 T200 | H8-T168 PolarHBondContact ND1-O 3.08Å; G9-T168 CarbonylContact C-O 3.03Å; G9-T168 VanDerWaalsContact O-O 3.05Å; G10-T168 PolarHBondContact N-O 3.33Å; L166-T168 PolarHBondContact O-N 3.4Å; T168-T184 HydrophobicContact CG2-CG2 3.39Å; T168-T186 WeakPolarHBondContact OG1-CB 3.31Å; T168-T186 PolarHBondContact OG1-OG1 2.78Å; T168-T200 WeakPolarHBondContact CG2-OG1 3.44Å | ||
| 169 | V | 98.7 | Very high | 79.2 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 156.4 | 174.2 | -58 | 0 | 0 | 0 | 0 | 110.6 | H8 V52 L55 F61 A63 T184 S185 | H8-V169 VanDerWaalsContact CE1-C 3.47Å; H8-V169 WeakPolarHBondContact O-CA 3.34Å; V52-V169 HydrophobicContact CG1-CG2 4.24Å; L55-V169 HydrophobicContact CB-CB 4.06Å; L55-V169 HydrophobicContact CB-CG1 4.05Å; L55-V169 HydrophobicContact CB-CG2 3.99Å; L55-V169 HydrophobicContact CD1-CB 3.75Å; L55-V169 HydrophobicContact CD1-CG1 4.14Å; L55-V169 HydrophobicContact CD1-CG2 4.37Å; F61-V169 HydrophobicContact CB-CG1 3.69Å; F61-V169 HydrophobicContact CD1-CG1 3.69Å; F61-V169 HydrophobicContact CG-CG1 4Å; A63-V169 HydrophobicContact CB-CG2 3.55Å; V169-T184 WeakPolarHBondContact O-CA 3.27Å; V169-T184 WeakPolarHBondContact O-CG2 3.06Å; V169-S185 WeakPolarHBondContact CG2-O 3.36Å; V169-S185 PolarHBondContact N-O 3.42Å; V169-S185 PolarHBondContact O-N 3.14Å |
| 170 | G | 98.8 | Very high | 81.9 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -173.1 | 171.3 | 174 | 0 | 0 | 0 | 0 | 0 | 113.6 | V7 H8 A183 | V7-G170 CarbonylContact C-O 3.51Å; V7-G170 VanDerWaalsContact CA-O 3.31Å; V7-G170 WeakPolarHBondContact CA-O 3.33Å; H8-G170 PolarHBondContact CD2-O 2.97Å; H8-G170 PolarHBondContact CE1-N 3.22Å; H8-G170 PolarHBondContact N-O 3.29Å; H8-G170 VanDerWaalsContact NE2-CA 3.33Å; H8-G170 WeakPolarHBondContact NE2-CA 3.49Å; H8-G170 PolarHBondContact NE2-N 3.17Å; H8-G170 PolarHBondContact O-N 3.11Å; H8-G170 VanDerWaalsContact O-N 3.11Å; G170-A183 CarbonylContact C-O 3.58Å; G170-A183 WeakPolarHBondContact CA-O 3.29Å |
| 171 | A | 98.9 | Very high | 84.5 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 149.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | V6 V7 V48 A51 V52 Y182 A183 | V6-A171 CarbonylContact O-C 3.56Å; V6-A171 VanDerWaalsContact O-CA 3.22Å; V6-A171 WeakPolarHBondContact O-CA 3.2Å; V7-A171 HydrophobicContact CG1-CB 3.98Å; V48-A171 HydrophobicContact CB-CB 3.95Å; V48-A171 HydrophobicContact CG1-CB 4.03Å; A51-A171 HydrophobicContact CB-CB 3.92Å; V52-A171 HydrophobicContact CG2-CB 3.97Å; A171-Y182 CarbonylContact O-C 3.52Å; A171-Y182 VanDerWaalsContact O-CA 3.27Å; A171-Y182 WeakPolarHBondContact O-CA 3.38Å; A171-A183 PolarHBondContact N-O 3.21Å; A171-A183 PolarHBondContact O-N 3.16Å |
| 172 | V | 98.9 | Very high | 86.8 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 146.4 | 166 | -61.1 | 0 | 0 | 0 | 0 | 109.1 | V5 V6 A181 A215 I216 I266 V268 | V5-V172 WeakPolarHBondContact CA-O 3.38Å; V6-V172 HydrophobicContact CB-CG2 3.87Å; V6-V172 HydrophobicContact CG2-CG2 4.29Å; V6-V172 PolarHBondContact N-O 3.38Å; V6-V172 PolarHBondContact O-N 3.44Å; V172-A181 VanDerWaalsContact CA-O 3.31Å; V172-A181 WeakPolarHBondContact CA-O 3.35Å; V172-A215 HydrophobicContact CB-CB 4.15Å; V172-A215 HydrophobicContact CG1-CB 4.18Å; V172-I216 VanDerWaalsContact CG1-C 3.44Å; V172-I266 HydrophobicContact CG1-CD1 4.33Å; V172-I266 HydrophobicContact CG1-CG1 4.16Å; V172-I266 HydrophobicContact CG2-CB 4.49Å; V172-I266 HydrophobicContact CG2-CD1 3.95Å; V172-I266 HydrophobicContact CG2-CG1 4.02Å; V172-V268 HydrophobicContact CB-CG1 3.95Å; V172-V268 HydrophobicContact CG2-CB 4.18Å; V172-V268 HydrophobicContact CG2-CG1 3.83Å |
| 173 | A | 98.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 154.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I4 V5 L38 A44 A47 V48 V180 A181 | I4-A173 CarbonylContact O-C 3.54Å; I4-A173 WeakPolarHBondContact O-CA 3.43Å; V5-A173 HydrophobicContact CB-CB 4.43Å; V5-A173 HydrophobicContact CG2-CB 4.41Å; L38-A173 HydrophobicContact CD1-CB 4.3Å; A44-A173 HydrophobicContact CB-CB 4.21Å; A47-A173 HydrophobicContact CB-CB 4.13Å; V48-A173 HydrophobicContact CG1-CB 3.61Å; A173-V180 WeakPolarHBondContact O-CA 3.33Å; A173-A181 PolarHBondContact N-O 3.02Å; A173-A181 PolarHBondContact O-N 3.36Å; A173-A181 VanDerWaalsContact O-N 3.13Å |
| 174 | L | 98.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 123.1 | 164.7 | 172.7 | 70.6 | 0 | 0 | 0 | 107.6 | M1 P3 I4 N179 V180 V268 | M1-L174 HydrophobicContact CB-CD2 4.16Å; M1-L174 HydrophobicContact CB-CG 4.43Å; M1-L174 HydrophobicContact CE-CD2 3.84Å; M1-L174 HydrophobicContact CG-CD2 4.47Å; P3-L174 VanDerWaalsContact CA-O 3.23Å; P3-L174 WeakPolarHBondContact CA-O 3.42Å; I4-L174 HydrophobicContact CG2-CB 3.74Å; I4-L174 HydrophobicContact CG2-CD2 4.38Å; I4-L174 PolarHBondContact N-O 2.91Å; I4-L174 PolarHBondContact O-N 2.91Å; L174-N179 WeakPolarHBondContact CA-O 3.5Å; L174-V180 HydrophobicContact CB-CG1 4.24Å; L174-V180 HydrophobicContact CD1-CG1 3.56Å; L174-V268 HydrophobicContact CB-CG2 3.92Å |
| 175 | D | 98.8 | Very high | 93.8 | Very high | 4 Ų | 4 | 17.4 Ų | 17.4 | 2% | 0.021 | 10% | 0.1 | C | C | . | . | trans | -89.3 | 173.6 | -179.1 | 75.4 | 22.9 | 0 | 0 | 0 | 113.8 | L38 A44 K177 G178 N179 | L38-D175 HydrophobicContact CD2-CB 3.92Å; A44-D175 HydrophobicContact CB-CB 4.07Å; A44-D175 PolarHBondContact N-OD2 3.04Å; D175-K177 PolarHBondContact O-N 3.4Å; D175-K177 VanDerWaalsContact OD1-CA 3.3Å; D175-K177 WeakPolarHBondContact OD1-CA 3.36Å; D175-K177 WeakPolarHBondContact OD1-CB 3.49Å; D175-K177 PolarHBondContact OD1-N 3.41Å; D175-G178 PolarHBondContact O-N 3.15Å; D175-G178 PolarHBondContact OD1-N 2.85Å; D175-N179 PolarHBondContact N-O 2.83Å; D175-N179 PolarHBondContact OD1-N 3.13Å; D175-N179 PolarHBondContact OD1-ND2 3.04Å; D175-N179 WeakPolarHBondContact OD2-CB 3.48Å; D175-N179 PolarHBondContact OD2-ND2 3.2Å | ||
| 176 | A | 98.3 | Very high | 95.6 | Very high | 52 Ų | 52 | 16.2 Ų | 16.2 | 43% | 0.43 | 9% | 0.094 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -26.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | M1 P3 G178 | M1-A176 PolarHBondContact N-O 3.05Å; P3-A176 HydrophobicContact CG-CB 4.16Å; A176-G178 VanDerWaalsContact C-N 3.32Å |
| 177 | K | 98.6 | Very high | 97.1 | Very high | 176 Ų | 176 | 14.6 Ų | 14.6 | 77% | 0.765 | 9% | 0.085 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -6.8 | 179 | -61.5 | 174.5 | -175.9 | 167.7 | 0 | 112.5 | D175 | D175-K177 PolarHBondContact O-N 3.4Å; D175-K177 VanDerWaalsContact OD1-CA 3.3Å; D175-K177 WeakPolarHBondContact OD1-CA 3.36Å; D175-K177 WeakPolarHBondContact OD1-CB 3.49Å; D175-K177 PolarHBondContact OD1-N 3.41Å |
| 178 | G | 98.6 | Very high | 98.4 | Very high | 20 Ų | 20 | 14.1 Ų | 14.1 | 21% | 0.206 | 8% | 0.08 | C | C | . | . | S | Bend | trans | 87.7 | 15.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | D175 A176 | D175-G178 PolarHBondContact O-N 3.15Å; D175-G178 PolarHBondContact OD1-N 2.85Å; A176-G178 VanDerWaalsContact C-N 3.32Å |
| 179 | N | 98.9 | Very high | 98.5 | Very high | 32 Ų | 32 | 15.4 Ų | 15.4 | 17% | 0.171 | 9% | 0.086 | C | C | . | . | trans | -84.7 | 147.4 | 172 | -48 | -68.6 | 0 | 0 | 0 | 110.5 | A44 L174 D175 N211 | A44-N179 WeakPolarHBondContact CB-O 3.3Å; L174-N179 WeakPolarHBondContact CA-O 3.5Å; D175-N179 PolarHBondContact N-O 2.83Å; D175-N179 PolarHBondContact OD1-N 3.13Å; D175-N179 PolarHBondContact OD1-ND2 3.04Å; D175-N179 WeakPolarHBondContact OD2-CB 3.48Å; D175-N179 PolarHBondContact OD2-ND2 3.2Å; N179-N211 WeakPolarHBondContact CA-OD1 3.28Å; N179-N211 PolarHBondContact OD1-ND2 3.36Å | ||
| 180 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 151.1 | 174.4 | -59 | 0 | 0 | 0 | 0 | 111.3 | G84 A173 L174 A209 D210 N211 A215 | G84-V180 WeakPolarHBondContact CA-O 3.5Å; G84-V180 PolarHBondContact N-O 3.11Å; A173-V180 WeakPolarHBondContact O-CA 3.33Å; L174-V180 HydrophobicContact CB-CG1 4.24Å; L174-V180 HydrophobicContact CD1-CG1 3.56Å; V180-A209 HydrophobicContact CG2-CB 4.37Å; V180-D210 WeakPolarHBondContact CG2-O 3.23Å; V180-N211 PolarHBondContact N-OD1 3.07Å; V180-A215 HydrophobicContact CB-CB 3.83Å; V180-A215 HydrophobicContact CG2-CB 4.04Å |
| 181 | A | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 159.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | A44 V45 V48 M82 V172 A173 A215 | A44-A181 HydrophobicContact CB-CB 3.71Å; V45-A181 HydrophobicContact CG2-CB 3.93Å; V48-A181 HydrophobicContact CG1-CB 4.43Å; V48-A181 HydrophobicContact CG2-CB 3.91Å; M82-A181 VanDerWaalsContact O-CA 3.29Å; M82-A181 WeakPolarHBondContact O-CA 3.43Å; M82-A181 WeakPolarHBondContact O-CB 3.31Å; V172-A181 VanDerWaalsContact CA-O 3.31Å; V172-A181 WeakPolarHBondContact CA-O 3.35Å; A173-A181 PolarHBondContact N-O 3.02Å; A173-A181 PolarHBondContact O-N 3.36Å; A173-A181 VanDerWaalsContact O-N 3.13Å; A181-A215 WeakPolarHBondContact O-CB 3.11Å |
| 182 | Y | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 154.1 | 166.3 | 90.1 | -91.3 | 0 | 0 | 0 | 111.1 | S80 I81 M82 A171 T184 G207 Y208 A209 I216 | S80-Y182 WeakPolarHBondContact OG-CE2 3.42Å; S80-Y182 PolarHBondContact OG-OH 2.98Å; I81-Y182 WeakPolarHBondContact CA-O 3.47Å; I81-Y182 WeakPolarHBondContact CG1-O 3.3Å; M82-Y182 HydrophobicContact CB-CD1 3.57Å; M82-Y182 HydrophobicContact CB-CE1 3.23Å; M82-Y182 HydrophobicContact CG-CE1 4.18Å; M82-Y182 PolarHBondContact N-O 2.96Å; M82-Y182 VanDerWaalsContact N-O 3.09Å; M82-Y182 PolarHBondContact O-N 2.92Å; M82-Y182 HydrophobicContact SD-CE1 3.95Å; A171-Y182 CarbonylContact O-C 3.52Å; A171-Y182 VanDerWaalsContact O-CA 3.27Å; A171-Y182 WeakPolarHBondContact O-CA 3.38Å; Y182-T184 WeakPolarHBondContact CD2-OG1 3.44Å; Y182-G207 VanDerWaalsContact CZ-C 3.42Å; Y182-Y208 VanDerWaalsContact CD1-C 3.4Å; Y182-Y208 VanDerWaalsContact CD1-N 3.28Å; Y182-Y208 VanDerWaalsContact CE1-CA 3.48Å; Y182-Y208 VanDerWaalsContact CE1-N 3.26Å; Y182-A209 HydrophobicContact CD1-CB 4.03Å; Y182-I216 WeakPolarHBondContact CB-O 3.08Å |
| 183 | A | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 138.2 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | V48 V52 S80 I81 I102 G170 A171 | V48-A183 HydrophobicContact CB-CB 3.76Å; V48-A183 HydrophobicContact CG2-CB 3.74Å; V52-A183 HydrophobicContact CB-CB 4.27Å; V52-A183 HydrophobicContact CG2-CB 3.64Å; S80-A183 WeakPolarHBondContact O-CA 3.35Å; I81-A183 HydrophobicContact CD1-CB 4.38Å; I81-A183 HydrophobicContact CG1-CB 4.17Å; I102-A183 HydrophobicContact CD1-CB 3.7Å; I102-A183 HydrophobicContact CG1-CB 3.95Å; G170-A183 CarbonylContact C-O 3.58Å; G170-A183 WeakPolarHBondContact CA-O 3.29Å; A171-A183 PolarHBondContact N-O 3.21Å; A171-A183 PolarHBondContact O-N 3.16Å |
| 184 | T | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 137.8 | 177.1 | -46.6 | 0 | 0 | 0 | 0 | 109.3 | A79 S80 T168 V169 Y182 T200 S217 | A79-T184 CarbonylContact C-O 3.44Å; A79-T184 WeakPolarHBondContact CA-O 3.39Å; S80-T184 PolarHBondContact N-O 2.98Å; S80-T184 PolarHBondContact O-N 3.35Å; T168-T184 HydrophobicContact CG2-CG2 3.39Å; V169-T184 WeakPolarHBondContact O-CA 3.27Å; V169-T184 WeakPolarHBondContact O-CG2 3.06Å; Y182-T184 WeakPolarHBondContact CD2-OG1 3.44Å; T184-T200 HydrophobicContact CG2-CG2 3.74Å; T184-T200 WeakPolarHBondContact O-CG2 3.31Å; T184-S217 PolarHBondContact OG1-OG 2.74Å |
| 185 | S | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 144.9 | 179.6 | -172.3 | 0 | 0 | 0 | 0 | 111.6 | E56 D78 V169 | E56-S185 VanDerWaalsContact OE1-CB 3.27Å; E56-S185 WeakPolarHBondContact OE1-CB 3.17Å; E56-S185 PolarHBondContact OE1-OG 2.99Å; D78-S185 WeakPolarHBondContact O-CA 3.19Å; V169-S185 WeakPolarHBondContact CG2-O 3.36Å; V169-S185 PolarHBondContact N-O 3.42Å; V169-S185 PolarHBondContact O-N 3.14Å |
| 186 | T | 98.7 | Very high | 97.8 | Very high | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.012 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 149.4 | -177.1 | -163.1 | 0 | 0 | 0 | 0 | 113.9 | N62 M77 D78 T168 G188 T200 | N62-T186 CarbonylContact O-C 3.08Å; N62-T186 VanDerWaalsContact O-CA 3.3Å; N62-T186 WeakPolarHBondContact O-CA 3.22Å; M77-T186 CarbonylContact C-O 3.53Å; M77-T186 VanDerWaalsContact CA-O 3.26Å; M77-T186 WeakPolarHBondContact CA-O 3.36Å; D78-T186 HydrophobicContact CB-CG2 4.06Å; D78-T186 PolarHBondContact N-O 3.45Å; D78-T186 PolarHBondContact O-N 3.12Å; T168-T186 WeakPolarHBondContact OG1-CB 3.31Å; T168-T186 PolarHBondContact OG1-OG1 2.78Å; T186-G188 VanDerWaalsContact C-N 3.28Å; T186-G188 PolarHBondContact OG1-N 2.83Å; T186-T200 HydrophobicContact CG2-CG2 3.9Å; T186-T200 VanDerWaalsContact CG2-OG1 3.26Å; T186-T200 WeakPolarHBondContact CG2-OG1 3.18Å |
| 187 | G | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | -81.5 | -5.3 | 159.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | N62 E76 K192 | N62-G187 PolarHBondContact O-N 2.98Å; N62-G187 WeakPolarHBondContact OD1-CA 3.33Å; E76-G187 CarbonylContact O-C 3.54Å; E76-G187 VanDerWaalsContact O-O 3.12Å; G187-K192 WeakPolarHBondContact O-CE 3.26Å; G187-K192 PolarHBondContact O-NZ 2.91Å | ||
| 188 | G | 96.5 | Very high | 97.8 | Very high | 3 Ų | 3 | 22 Ų | 22 | 3% | 0.031 | 13% | 0.13 | C | C | . | . | trans | 83.5 | -145.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | N62 V68 T186 | N62-G188 PolarHBondContact ND2-O 3.28Å; V68-G188 VanDerWaalsContact CG2-O 3.29Å; V68-G188 WeakPolarHBondContact CG2-O 3.45Å; T186-G188 VanDerWaalsContact C-N 3.28Å; T186-G188 PolarHBondContact OG1-N 2.83Å | ||
| 189 | I | 94.3 | Very high | 97.8 | Very high | 34 Ų | 34 | 21.3 Ų | 21.3 | 17% | 0.174 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -104.9 | 147.4 | -179.5 | 65.6 | 178.3 | 0 | 0 | 0 | 111.1 | N165 K192 | N165-I189 HydrophobicContact CB-CG2 4.35Å; N165-I189 WeakPolarHBondContact OD1-CG2 3.33Å; I189-K192 HydrophobicContact CG1-CB 3.75Å; I189-K192 WeakPolarHBondContact O-CB 3.31Å; I189-K192 WeakPolarHBondContact O-CG 3.5Å; I189-K192 PolarHBondContact O-N 2.87Å |
| 190 | I | 95.1 | Very high | 97.8 | Very high | 13 Ų | 13 | 19.8 Ų | 19.8 | 7% | 0.067 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | 138 | 179.6 | -172.8 | 65 | 0 | 0 | 0 | 110.4 | V68 L69 R147 L148 E151 K192 | V68-I190 HydrophobicContact CB-CB 4.35Å; V68-I190 HydrophobicContact CB-CD1 4.08Å; V68-I190 HydrophobicContact CG1-CB 4.46Å; L69-I190 HydrophobicContact CB-CD1 4.43Å; R147-I190 HydrophobicContact CB-CD1 4.21Å; R147-I190 HydrophobicContact CB-CG1 4.38Å; L148-I190 HydrophobicContact CB-CD1 4Å; L148-I190 HydrophobicContact CD1-CD1 4.36Å; E151-I190 HydrophobicContact CB-CG1 4.4Å; E151-I190 HydrophobicContact CG-CG2 4.29Å; I190-K192 PolarHBondContact O-N 2.82Å |
| 191 | N | 95.1 | Very high | 97.8 | Very high | 15 Ų | 15 | 19.8 Ų | 19.8 | 8% | 0.08 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 32.8 | -179.6 | -164.2 | 23.2 | 0 | 0 | 0 | 112.8 | L69 T71 L148 E151 K155 | L69-N191 PolarHBondContact O-N 3.05Å; T71-N191 WeakPolarHBondContact CA-OD1 3.39Å; T71-N191 WeakPolarHBondContact CB-OD1 3.3Å; T71-N191 PolarHBondContact OG1-OD1 2.89Å; L148-N191 HydrophobicContact CD1-CB 3.63Å; E151-N191 HydrophobicContact CB-CB 4.4Å; E151-N191 HydrophobicContact CG-CB 3.74Å; K155-N191 WeakPolarHBondContact CD-ND2 3.35Å; K155-N191 PolarHBondContact NZ-ND2 3.4Å; K155-N191 VanDerWaalsContact NZ-ND2 3.14Å |
| 192 | K | 95.6 | Very high | 97.8 | Very high | 5 Ų | 5 | 21.6 Ų | 21.6 | 2% | 0.022 | 13% | 0.126 | C | C | . | . | P | Polyproline II helix | trans | -62.4 | 150.6 | 168.5 | 67.1 | -177.4 | -175.3 | -175.6 | 0 | 110.5 | N70 T71 E76 G187 I189 I190 R196 | N70-K192 CarbonylContact C-O 3.56Å; N70-K192 WeakPolarHBondContact CA-O 3.33Å; N70-K192 HydrophobicContact CB-CG 3.82Å; T71-K192 PolarHBondContact N-O 2.84Å; E76-K192 PolarHBondContact O-NZ 3.45Å; G187-K192 WeakPolarHBondContact O-CE 3.26Å; G187-K192 PolarHBondContact O-NZ 2.91Å; I189-K192 HydrophobicContact CG1-CB 3.75Å; I189-K192 WeakPolarHBondContact O-CB 3.31Å; I189-K192 WeakPolarHBondContact O-CG 3.5Å; I189-K192 PolarHBondContact O-N 2.87Å; I190-K192 PolarHBondContact O-N 2.82Å; K192-R196 HydrophobicContact CB-CB 4.07Å; K192-R196 HydrophobicContact CB-CG 4.36Å; K192-R196 HydrophobicContact CD-CB 4.32Å; K192-R196 HydrophobicContact CG-CB 4.44Å |
| 193 | M | 97.4 | Very high | 97.7 | Very high | 150 Ų | 150 | 24.4 Ų | 24.4 | 74% | 0.739 | 14% | 0.143 | S | C | * | . | P | Polyproline II helix | trans | -60.6 | 149 | 167.4 | -67.3 | 177.4 | 67.7 | 0 | 0 | 109.7 | G195 R196 | M193-G195 PolarHBondContact O-N 2.98Å; M193-R196 VanDerWaalsContact O-CB 3.26Å; M193-R196 WeakPolarHBondContact O-CB 3.2Å; M193-R196 PolarHBondContact O-N 2.99Å |
| 194 | V | 98.6 | Very high | 97.7 | Very high | 67 Ų | 67 | 24.6 Ų | 24.6 | 41% | 0.406 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 132.6 | 175.4 | -176.3 | 0 | 0 | 0 | 0 | 109.7 | T71 D72 R196 | T71-V194 HydrophobicContact CG2-CG2 4.08Å; D72-V194 HydrophobicContact CB-CG2 4.44Å; D72-V194 VanDerWaalsContact OD2-CG2 3.27Å; D72-V194 WeakPolarHBondContact OD2-CG2 3.35Å; V194-R196 VanDerWaalsContact C-N 3.26Å; V194-R196 PolarHBondContact O-N 2.78Å |
| 195 | G | 97.7 | Very high | 97.7 | Very high | 39 Ų | 39 | 24.7 Ų | 24.7 | 40% | 0.402 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | 9.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | E76 M193 V197 | E76-G195 PolarHBondContact OE1-N 3.01Å; E76-G195 VanDerWaalsContact OE1-N 3.09Å; E76-G195 PolarHBondContact OE2-N 3.02Å; E76-G195 VanDerWaalsContact OE2-N 3.16Å; M193-G195 PolarHBondContact O-N 2.98Å; G195-V197 PolarHBondContact O-N 3.18Å |
| 196 | R | 98.5 | Very high | 97.7 | Very high | 34 Ų | 34 | 24.7 Ų | 24.7 | 13% | 0.128 | 15% | 0.146 | C | C | . | . | trans | -64.8 | 119.2 | 171.8 | 179.5 | -78.1 | -165.9 | 174.7 | 1.3 | 109.4 | K192 M193 V194 E223 | K192-R196 HydrophobicContact CB-CB 4.07Å; K192-R196 HydrophobicContact CB-CG 4.36Å; K192-R196 HydrophobicContact CD-CB 4.32Å; K192-R196 HydrophobicContact CG-CB 4.44Å; M193-R196 VanDerWaalsContact O-CB 3.26Å; M193-R196 WeakPolarHBondContact O-CB 3.2Å; M193-R196 PolarHBondContact O-N 2.99Å; V194-R196 VanDerWaalsContact C-N 3.26Å; V194-R196 PolarHBondContact O-N 2.78Å; R196-E223 IonicContact CZ-OE1 3.82Å; R196-E223 VanDerWaalsContact CZ-OE1 3.24Å; R196-E223 IonicContact CZ-OE2 2.74Å; R196-E223 IonicContact NE-OE1 3.55Å; R196-E223 PolarHBondContact NE-OE1 3.31Å; R196-E223 IonicContact NH2-OE1 2.74Å; R196-E223 PolarHBondContact NH2-OE1 3.36Å; R196-E223 IonicContact NH2-OE2 3.24Å; R196-E223 PolarHBondContact NH2-OE2 3.11Å | ||
| 197 | V | 98.8 | Very high | 97.7 | Very high | 49 Ų | 49 | 24.6 Ų | 24.6 | 30% | 0.297 | 15% | 0.145 | S | C | . | . | trans | -97.1 | 133 | 174.5 | -175.3 | 0 | 0 | 0 | 0 | 110.5 | G195 P201 | G195-V197 PolarHBondContact O-N 3.18Å; V197-P201 HydrophobicContact CG1-CG 3.42Å; V197-P201 VanDerWaalsContact CG1-CG 3.42Å | ||
| 198 | G | 97.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | trans | -89.5 | -160.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | D78 | D78-G198 PolarHBondContact OD2-N 3.09Å; D78-G198 VanDerWaalsContact OD2-N 3.13Å | ||
| 199 | D | 98.7 | Very high | 97.9 | Very high | 4 Ų | 4 | 26.4 Ų | 26.4 | 2% | 0.021 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -73.4 | -32.6 | 172.6 | 58 | -69.5 | 0 | 0 | 0 | 113.3 | P201 C202 A205 G206 G222 I225 L226 | D199-P201 VanDerWaalsContact C-CD 3.45Å; D199-C202 WeakPolarHBondContact O-CB 3.18Å; D199-C202 PolarHBondContact O-N 3.43Å; D199-A205 HydrophobicContact CB-CB 4.17Å; D199-G206 VanDerWaalsContact O-CA 3.31Å; D199-G206 WeakPolarHBondContact O-CA 3.27Å; D199-G206 PolarHBondContact O-N 3.21Å; D199-G206 VanDerWaalsContact O-N 3.09Å; D199-G222 WeakPolarHBondContact OD1-CA 3.3Å; D199-I225 HydrophobicContact CB-CB 3.77Å; D199-I225 HydrophobicContact CB-CG2 3.45Å; D199-I225 VanDerWaalsContact CB-CG2 3.45Å; D199-L226 HydrophobicContact CB-CD2 4.4Å; D199-L226 HydrophobicContact CB-CG 4.01Å |
| 200 | T | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | -43.7 | -170.2 | -65.7 | 0 | 0 | 0 | 0 | 115.5 | D78 S80 T168 T184 T186 C202 | D78-T200 HydrophobicContact CB-CG2 4.37Å; D78-T200 WeakPolarHBondContact O-CG2 3.44Å; S80-T200 WeakPolarHBondContact CB-O 3.26Å; S80-T200 PolarHBondContact OG-O 2.91Å; T168-T200 WeakPolarHBondContact CG2-OG1 3.44Å; T184-T200 HydrophobicContact CG2-CG2 3.74Å; T184-T200 WeakPolarHBondContact O-CG2 3.31Å; T186-T200 HydrophobicContact CG2-CG2 3.9Å; T186-T200 VanDerWaalsContact CG2-OG1 3.26Å; T186-T200 WeakPolarHBondContact CG2-OG1 3.18Å; T200-C202 VanDerWaalsContact C-N 3.32Å |
| 201 | P | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.006 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -2.6 | 179.8 | 37 | -34.2 | 0 | 0 | 0 | 113.1 | D78 A91 V92 F116 V197 D199 | D78-P201 HydrophobicContact CB-CB 4.18Å; D78-P201 HydrophobicContact CB-CG 3.78Å; A91-P201 HydrophobicContact CB-CB 4.24Å; A91-P201 WeakPolarHBondContact CB-O 3.48Å; V92-P201 WeakPolarHBondContact O-CB 3.35Å; F116-P201 HydrophobicContact CE1-CB 4.22Å; F116-P201 HydrophobicContact CE1-CG 4.45Å; F116-P201 HydrophobicContact CE2-CB 3.88Å; F116-P201 HydrophobicContact CE2-CG 4.46Å; F116-P201 HydrophobicContact CZ-CB 3.56Å; F116-P201 HydrophobicContact CZ-CG 3.77Å; V197-P201 HydrophobicContact CG1-CG 3.42Å; V197-P201 VanDerWaalsContact CG1-CG 3.42Å; D199-P201 VanDerWaalsContact C-CD 3.45Å |
| 202 | C | 98.9 | Very high | 98.4 | Very high | 37 Ų | 37 | 32 Ų | 32 | 25% | 0.25 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -98.8 | 106.4 | -174.6 | -64 | 0 | 0 | 0 | 0 | 110.9 | D199 T200 G204 A205 G206 L226 | D199-C202 WeakPolarHBondContact O-CB 3.18Å; D199-C202 PolarHBondContact O-N 3.43Å; T200-C202 VanDerWaalsContact C-N 3.32Å; C202-G204 PolarHBondContact O-N 3.39Å; C202-A205 HydrophobicContact CB-CB 4.19Å; C202-A205 WeakPolarHBondContact O-CB 3.11Å; C202-A205 PolarHBondContact O-N 3.43Å; C202-G206 PolarHBondContact O-N 3.13Å; C202-G206 VanDerWaalsContact O-N 3.12Å; C202-L226 HydrophobicContact CB-CD2 3.71Å |
| 203 | V | 98.6 | Very high | 98.6 | Very high | 59 Ų | 59 | 32.3 Ų | 32.3 | 36% | 0.358 | 18% | 0.183 | S | C | . | . | B | Isolated β-bridge | trans | -53.9 | 132.3 | 177.3 | 179.9 | 0 | 0 | 0 | 0 | 111.4 | M82 V89 A205 Y208 | M82-V203 HydrophobicContact CE-CG1 4.45Å; M82-V203 HydrophobicContact SD-CG1 3.91Å; V89-V203 HydrophobicContact CB-CG2 4.25Å; V89-V203 HydrophobicContact CG1-CG2 3.39Å; V89-V203 HydrophobicContact CG2-CG1 4.43Å; V89-V203 HydrophobicContact CG2-CG2 3.79Å; V203-A205 VanDerWaalsContact C-N 3.25Å; V203-A205 PolarHBondContact O-N 3.45Å; V203-Y208 HydrophobicContact CG1-CD2 3.54Å; V203-Y208 HydrophobicContact CG1-CE2 3.68Å |
| 204 | G | 98.4 | Very high | 98.7 | Very high | 5 Ų | 5 | 25.1 Ų | 25.1 | 5% | 0.052 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.9 | -15.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114 | C202 G207 N229 A231 R232 | C202-G204 PolarHBondContact O-N 3.39Å; G204-G207 PolarHBondContact N-O 3.01Å; G204-N229 CarbonylContact O-C 3.56Å; G204-N229 VanDerWaalsContact O-CA 3.32Å; G204-N229 WeakPolarHBondContact O-CA 3.35Å; G204-N229 VanDerWaalsContact O-O 3.08Å; G204-A231 PolarHBondContact O-N 3.2Å; G204-R232 PolarHBondContact O-N 3.12Å |
| 205 | A | 98.8 | Very high | 98.7 | Very high | 2 Ų | 2 | 22 Ų | 22 | 2% | 0.017 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -73.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | D199 C202 V203 G207 T218 I225 L226 A231 | D199-A205 HydrophobicContact CB-CB 4.17Å; C202-A205 HydrophobicContact CB-CB 4.19Å; C202-A205 WeakPolarHBondContact O-CB 3.11Å; C202-A205 PolarHBondContact O-N 3.43Å; V203-A205 VanDerWaalsContact C-N 3.25Å; V203-A205 PolarHBondContact O-N 3.45Å; A205-G207 PolarHBondContact O-N 2.95Å; A205-T218 PolarHBondContact O-OG1 3.24Å; A205-T218 VanDerWaalsContact O-OG1 3.11Å; A205-I225 HydrophobicContact CB-CG2 4.22Å; A205-I225 WeakPolarHBondContact O-CG2 3.43Å; A205-L226 HydrophobicContact CB-CD2 3.82Å; A205-L226 HydrophobicContact CB-CG 4.43Å; A205-A231 VanDerWaalsContact O-CB 3.31Å; A205-A231 WeakPolarHBondContact O-CB 3.48Å; A205-A231 PolarHBondContact O-N 3.04Å |
| 206 | G | 98.4 | Very high | 98.7 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -37.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | D199 C202 T218 | D199-G206 VanDerWaalsContact O-CA 3.31Å; D199-G206 WeakPolarHBondContact O-CA 3.27Å; D199-G206 PolarHBondContact O-N 3.21Å; D199-G206 VanDerWaalsContact O-N 3.09Å; C202-G206 PolarHBondContact O-N 3.13Å; C202-G206 VanDerWaalsContact O-N 3.12Å; G206-T218 WeakPolarHBondContact CA-OG1 3.37Å; G206-T218 PolarHBondContact O-N 3.22Å; G206-T218 PolarHBondContact O-OG1 3.35Å |
| 207 | G | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.6 | 171.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y182 G204 A205 I216 A231 | Y182-G207 VanDerWaalsContact CZ-C 3.42Å; G204-G207 PolarHBondContact N-O 3.01Å; A205-G207 PolarHBondContact O-N 2.95Å; G207-I216 CarbonylContact C-O 3.56Å; G207-I216 WeakPolarHBondContact CA-O 3.43Å; G207-A231 VanDerWaalsContact C-CB 3.46Å; G207-A231 VanDerWaalsContact CA-CB 3.48Å |
| 208 | Y | 98.9 | Very high | 98.8 | Very high | 40 Ų | 40 | 16.1 Ų | 16.1 | 16% | 0.157 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 145.8 | 173.7 | -158.4 | -90.8 | 0 | 0 | 0 | 109.6 | M82 Y182 V203 D210 A215 I216 L235 | M82-Y208 HydrophobicContact CE-CD2 4.49Å; M82-Y208 HydrophobicContact CE-CE1 4.29Å; M82-Y208 HydrophobicContact CE-CE2 4.13Å; M82-Y208 HydrophobicContact SD-CD2 4.21Å; M82-Y208 HydrophobicContact SD-CE2 4.42Å; M82-Y208 HydrophobicContact SD-CG 4.33Å; Y182-Y208 VanDerWaalsContact CD1-C 3.4Å; Y182-Y208 VanDerWaalsContact CD1-N 3.28Å; Y182-Y208 VanDerWaalsContact CE1-CA 3.48Å; Y182-Y208 VanDerWaalsContact CE1-N 3.26Å; V203-Y208 HydrophobicContact CG1-CD2 3.54Å; V203-Y208 HydrophobicContact CG1-CE2 3.68Å; Y208-D210 HydrophobicContact CD1-CB 4.39Å; Y208-D210 HydrophobicContact CE1-CB 4.05Å; Y208-A215 CarbonylContact O-C 3.58Å; Y208-A215 VanDerWaalsContact O-CA 3.29Å; Y208-A215 WeakPolarHBondContact O-CA 3.44Å; Y208-I216 PolarHBondContact N-O 2.91Å; Y208-I216 PolarHBondContact O-N 2.92Å; Y208-L235 HydrophobicContact CD1-CD1 3.45Å; Y208-L235 VanDerWaalsContact CD1-CD1 3.45Å; Y208-L235 HydrophobicContact CE1-CD1 4.41Å; Y208-L235 HydrophobicContact CG-CD1 4.09Å |
| 209 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 135.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | M82 L87 V180 Y182 A215 | M82-A209 HydrophobicContact CB-CB 4.26Å; M82-A209 VanDerWaalsContact CE-O 3.28Å; M82-A209 WeakPolarHBondContact CE-O 3.26Å; M82-A209 HydrophobicContact CG-CB 4.15Å; M82-A209 HydrophobicContact SD-CB 4.45Å; M82-A209 PolarHBondContact SD-N 2.74Å; M82-A209 VanDerWaalsContact SD-N 3.42Å; L87-A209 WeakPolarHBondContact CD2-O 3.29Å; V180-A209 HydrophobicContact CG2-CB 4.37Å; Y182-A209 HydrophobicContact CD1-CB 4.03Å; A209-A215 HydrophobicContact CB-CB 3.84Å |
| 210 | D | 98.9 | Very high | 98.7 | Very high | 25 Ų | 25 | 16.6 Ų | 16.6 | 13% | 0.134 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 119.9 | 178.9 | -171.7 | -26.9 | 0 | 0 | 0 | 109.1 | L87 V180 Y208 D212 I213 G214 | L87-D210 HydrophobicContact CD2-CB 4.14Å; V180-D210 WeakPolarHBondContact CG2-O 3.23Å; Y208-D210 HydrophobicContact CD1-CB 4.39Å; Y208-D210 HydrophobicContact CE1-CB 4.05Å; D210-D212 PolarHBondContact O-N 3.3Å; D210-D212 VanDerWaalsContact O-N 3.14Å; D210-D212 WeakPolarHBondContact OD1-CB 3.48Å; D210-D212 PolarHBondContact OD1-N 3.48Å; D210-I213 HydrophobicContact CB-CD1 4.24Å; D210-I213 HydrophobicContact CB-CG1 4.4Å; D210-I213 CarbonylContact O-C 3.6Å; D210-I213 PolarHBondContact O-N 3.38Å; D210-G214 PolarHBondContact N-O 3.06Å; D210-G214 PolarHBondContact O-N 3.11Å |
| 211 | N | 98.9 | Very high | 98.5 | Very high | 33 Ų | 33 | 18.6 Ų | 18.6 | 18% | 0.176 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -24.9 | 180 | -81.5 | 9.6 | 0 | 0 | 0 | 112.7 | G84 K85 N179 V180 I213 K270 | G84-N211 VanDerWaalsContact C-OD1 3.26Å; G84-N211 WeakPolarHBondContact O-CB 3.44Å; G84-N211 PolarHBondContact O-N 2.96Å; K85-N211 WeakPolarHBondContact CA-ND2 3.46Å; K85-N211 PolarHBondContact N-OD1 2.89Å; N179-N211 WeakPolarHBondContact CA-OD1 3.28Å; N179-N211 PolarHBondContact OD1-ND2 3.36Å; V180-N211 PolarHBondContact N-OD1 3.07Å; N211-I213 PolarHBondContact O-N 3.46Å; N211-K270 WeakPolarHBondContact O-CB 3.3Å |
| 212 | D | 98.9 | Very high | 98.3 | Very high | 122 Ų | 122 | 18.6 Ų | 18.6 | 65% | 0.652 | 10% | 0.104 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79 | -7.7 | 178.6 | -70.2 | -29.2 | 0 | 0 | 0 | 113 | D210 K270 | D210-D212 PolarHBondContact O-N 3.3Å; D210-D212 VanDerWaalsContact O-N 3.14Å; D210-D212 WeakPolarHBondContact OD1-CB 3.48Å; D210-D212 PolarHBondContact OD1-N 3.48Å; D212-K270 WeakPolarHBondContact O-CD 3.32Å; D212-K270 WeakPolarHBondContact O-CE 3.48Å; D212-K270 PolarHBondContact O-NZ 2.77Å |
| 213 | I | 98.9 | Very high | 98.2 | Very high | 11 Ų | 11 | 19.4 Ų | 19.4 | 6% | 0.056 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -135 | -63.8 | -177.3 | -44 | 164.8 | 0 | 0 | 0 | 112 | D210 N211 L235 I238 E239 K270 | D210-I213 HydrophobicContact CB-CD1 4.24Å; D210-I213 HydrophobicContact CB-CG1 4.4Å; D210-I213 CarbonylContact O-C 3.6Å; D210-I213 PolarHBondContact O-N 3.38Å; N211-I213 PolarHBondContact O-N 3.46Å; I213-L235 HydrophobicContact CB-CD2 4.38Å; I213-L235 HydrophobicContact CD1-CB 4.46Å; I213-L235 HydrophobicContact CG2-CB 4.12Å; I213-L235 HydrophobicContact CG2-CD2 3.84Å; I213-L235 HydrophobicContact CG2-CG 4.48Å; I213-I238 HydrophobicContact CG2-CB 4Å; I213-I238 HydrophobicContact CG2-CG2 3.86Å; I213-E239 HydrophobicContact CD1-CG 3.51Å; I213-E239 WeakPolarHBondContact CD1-OE1 3.16Å; I213-E239 HydrophobicContact CG1-CG 3.75Å; I213-E239 HydrophobicContact CG2-CG 4.01Å; I213-K270 PolarHBondContact O-N 3.39Å |
| 214 | G | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 158.5 | -174.5 | -169.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | D210 V268 | D210-G214 PolarHBondContact N-O 3.06Å; D210-G214 PolarHBondContact O-N 3.11Å; G214-V268 CarbonylContact C-O 3.56Å; G214-V268 WeakPolarHBondContact CA-O 3.36Å |
| 215 | A | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 145.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V172 V180 A181 Y208 A209 V267 V268 | V172-A215 HydrophobicContact CB-CB 4.15Å; V172-A215 HydrophobicContact CG1-CB 4.18Å; V180-A215 HydrophobicContact CB-CB 3.83Å; V180-A215 HydrophobicContact CG2-CB 4.04Å; A181-A215 WeakPolarHBondContact O-CB 3.11Å; Y208-A215 CarbonylContact O-C 3.58Å; Y208-A215 VanDerWaalsContact O-CA 3.29Å; Y208-A215 WeakPolarHBondContact O-CA 3.44Å; A209-A215 HydrophobicContact CB-CB 3.84Å; A215-V267 WeakPolarHBondContact O-CA 3.48Å; A215-V268 HydrophobicContact CB-CG1 4.11Å; A215-V268 PolarHBondContact N-O 2.73Å; A215-V268 PolarHBondContact O-N 2.86Å |
| 216 | I | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 140.3 | -175.9 | -60.7 | -168.3 | 0 | 0 | 0 | 110.8 | V172 Y182 G207 Y208 T218 A231 T234 L235 L265 I266 V267 | V172-I216 VanDerWaalsContact CG1-C 3.44Å; Y182-I216 WeakPolarHBondContact CB-O 3.08Å; G207-I216 CarbonylContact C-O 3.56Å; G207-I216 WeakPolarHBondContact CA-O 3.43Å; Y208-I216 PolarHBondContact N-O 2.91Å; Y208-I216 PolarHBondContact O-N 2.92Å; I216-T218 HydrophobicContact CG2-CG2 3.92Å; I216-A231 HydrophobicContact CB-CB 4.26Å; I216-A231 HydrophobicContact CG2-CB 3.94Å; I216-T234 HydrophobicContact CD1-CG2 3.36Å; I216-L235 HydrophobicContact CD1-CD2 3.61Å; I216-L235 HydrophobicContact CD1-CG 3.63Å; I216-L235 HydrophobicContact CG1-CD2 3.74Å; I216-L235 HydrophobicContact CG1-CG 3.94Å; I216-L265 HydrophobicContact CG2-CB 4.34Å; I216-I266 WeakPolarHBondContact CA-O 3.32Å; I216-V267 HydrophobicContact CD1-CB 4.04Å; I216-V267 HydrophobicContact CD1-CG2 3.78Å; I216-V267 HydrophobicContact CG1-CB 3.76Å; I216-V267 HydrophobicContact CG1-CG2 3.57Å |
| 217 | S | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 141.1 | 164.9 | -177.8 | 0 | 0 | 0 | 0 | 109.3 | H8 T184 L265 I266 | H8-S217 PolarHBondContact NE2-OG 3.01Å; T184-S217 PolarHBondContact OG1-OG 2.74Å; S217-L265 VanDerWaalsContact O-CA 3.31Å; S217-L265 WeakPolarHBondContact O-CA 3.39Å; S217-I266 PolarHBondContact N-O 3.3Å; S217-I266 PolarHBondContact O-N 2.82Å |
| 218 | T | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 160.9 | -173.8 | 71.2 | 0 | 0 | 0 | 0 | 112.2 | H8 A205 G206 I216 L230 A231 G264 L265 | H8-T218 PolarHBondContact CE1-O 3.11Å; A205-T218 PolarHBondContact O-OG1 3.24Å; A205-T218 VanDerWaalsContact O-OG1 3.11Å; G206-T218 WeakPolarHBondContact CA-OG1 3.37Å; G206-T218 PolarHBondContact O-N 3.22Å; G206-T218 PolarHBondContact O-OG1 3.35Å; I216-T218 HydrophobicContact CG2-CG2 3.92Å; T218-L230 HydrophobicContact CG2-CB 4.26Å; T218-L230 HydrophobicContact CG2-CD2 3.94Å; T218-L230 HydrophobicContact CG2-CG 4.02Å; T218-A231 HydrophobicContact CG2-CB 3.92Å; T218-G264 WeakPolarHBondContact CA-O 3.49Å; T218-L265 HydrophobicContact CG2-CB 4.04Å |
| 219 | T | 98.5 | Very high | 98.2 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.006 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 150.4 | 176.4 | 170.9 | 0 | 0 | 0 | 0 | 109.8 | G11 G263 G264 M283 | G11-T219 PolarHBondContact N-OG1 2.77Å; T219-G263 CarbonylContact O-C 3.55Å; T219-G263 WeakPolarHBondContact O-CA 3.43Å; T219-G264 PolarHBondContact N-O 2.82Å; T219-G264 PolarHBondContact O-N 3.01Å; T219-M283 HydrophobicContact CG2-CG 4.25Å; T219-M283 HydrophobicContact CG2-SD 3.76Å |
| 220 | G | 95.8 | Very high | 98.2 | Very high | 13 Ų | 13 | 29.1 Ų | 29.1 | 13% | 0.134 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 142.2 | -143.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | G222 | G220-G222 PolarHBondContact O-N 3.45Å; G220-G222 VanDerWaalsContact O-N 3.14Å |
| 221 | H | 95.4 | Very high | 98.2 | Very high | 41 Ų | 41 | 28 Ų | 28 | 19% | 0.19 | 14% | 0.143 | C | C | . | . | trans | -75.5 | 100.5 | 175.8 | -179.2 | -129 | 0 | 0 | 0 | 111.1 | E223 S224 I225 L262 | H221-E223 VanDerWaalsContact C-N 3.32Å; H221-E223 IonicContact CD2-OE2 3.11Å; H221-E223 PolarHBondContact CD2-OE2 3.48Å; H221-E223 IonicContact NE2-OE2 3.16Å; H221-E223 PolarHBondContact NE2-OE2 2.99Å; H221-E223 PolarHBondContact O-N 3.02Å; H221-S224 PolarHBondContact ND1-OG 3.33Å; H221-S224 WeakPolarHBondContact O-CA 3.37Å; H221-S224 WeakPolarHBondContact O-CB 3.34Å; H221-S224 PolarHBondContact O-N 3.09Å; H221-I225 PolarHBondContact O-N 2.8Å; H221-I225 VanDerWaalsContact O-N 3.1Å; H221-L262 PolarHBondContact N-O 3.31Å | ||
| 222 | G | 95.3 | Very high | 98.2 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -54.9 | -38.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | D199 G220 S224 I225 L226 | D199-G222 WeakPolarHBondContact OD1-CA 3.3Å; G220-G222 PolarHBondContact O-N 3.45Å; G220-G222 VanDerWaalsContact O-N 3.14Å; G222-S224 VanDerWaalsContact C-N 3.26Å; G222-S224 PolarHBondContact O-N 3.35Å; G222-I225 PolarHBondContact O-N 3.4Å; G222-L226 WeakPolarHBondContact O-CB 3.21Å; G222-L226 VanDerWaalsContact O-CG 3.31Å; G222-L226 WeakPolarHBondContact O-CG 3.45Å; G222-L226 PolarHBondContact O-N 3.48Å |
| 223 | E | 96.9 | Very high | 98.2 | Very high | 54 Ų | 54 | 25.3 Ų | 25.3 | 25% | 0.252 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -63.8 | -31.9 | 176.4 | -70.6 | 73.8 | -168.9 | 0 | 0 | 112.3 | R196 H221 K227 | R196-E223 IonicContact CZ-OE1 3.82Å; R196-E223 VanDerWaalsContact CZ-OE1 3.24Å; R196-E223 IonicContact CZ-OE2 2.74Å; R196-E223 IonicContact NE-OE1 3.55Å; R196-E223 PolarHBondContact NE-OE1 3.31Å; R196-E223 IonicContact NH2-OE1 2.74Å; R196-E223 PolarHBondContact NH2-OE1 3.36Å; R196-E223 IonicContact NH2-OE2 3.24Å; R196-E223 PolarHBondContact NH2-OE2 3.11Å; H221-E223 VanDerWaalsContact C-N 3.32Å; H221-E223 IonicContact CD2-OE2 3.11Å; H221-E223 PolarHBondContact CD2-OE2 3.48Å; H221-E223 IonicContact NE2-OE2 3.16Å; H221-E223 PolarHBondContact NE2-OE2 2.99Å; H221-E223 PolarHBondContact O-N 3.02Å; E223-K227 WeakPolarHBondContact O-CD 3.5Å; E223-K227 WeakPolarHBondContact O-CE 3.44Å; E223-K227 WeakPolarHBondContact O-CG 3.39Å; E223-K227 PolarHBondContact O-N 3.27Å |
| 224 | S | 97.8 | Very high | 98.2 | Very high | 2 Ų | 2 | 24.8 Ų | 24.8 | 1% | 0.014 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -74.8 | -42 | 174.9 | -69.7 | 0 | 0 | 0 | 0 | 111.5 | H221 G222 K227 V228 G261 | H221-S224 PolarHBondContact ND1-OG 3.33Å; H221-S224 WeakPolarHBondContact O-CA 3.37Å; H221-S224 WeakPolarHBondContact O-CB 3.34Å; H221-S224 PolarHBondContact O-N 3.09Å; G222-S224 VanDerWaalsContact C-N 3.26Å; G222-S224 PolarHBondContact O-N 3.35Å; S224-K227 PolarHBondContact O-N 2.87Å; S224-V228 WeakPolarHBondContact O-CG2 3.36Å; S224-V228 PolarHBondContact O-N 3.38Å; S224-G261 VanDerWaalsContact OG-CA 3.25Å; S224-G261 WeakPolarHBondContact OG-CA 3.23Å |
| 225 | I | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.4 | -47 | 177.4 | -65.5 | 171.1 | 0 | 0 | 0 | 110.3 | D199 A205 H221 G222 K227 V228 N229 L230 M255 | D199-I225 HydrophobicContact CB-CB 3.77Å; D199-I225 HydrophobicContact CB-CG2 3.45Å; D199-I225 VanDerWaalsContact CB-CG2 3.45Å; A205-I225 HydrophobicContact CB-CG2 4.22Å; A205-I225 WeakPolarHBondContact O-CG2 3.43Å; H221-I225 PolarHBondContact O-N 2.8Å; H221-I225 VanDerWaalsContact O-N 3.1Å; G222-I225 PolarHBondContact O-N 3.4Å; I225-K227 PolarHBondContact O-N 3.44Å; I225-V228 PolarHBondContact O-N 2.86Å; I225-N229 PolarHBondContact O-N 2.93Å; I225-L230 HydrophobicContact CG1-CD2 4.09Å; I225-L230 HydrophobicContact CG2-CB 3.9Å; I225-L230 PolarHBondContact O-N 3.42Å; I225-M255 HydrophobicContact CG1-SD 3.81Å |
| 226 | L | 98.8 | Very high | 98.2 | Very high | 54 Ų | 54 | 29.5 Ų | 29.5 | 28% | 0.283 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -57.2 | -46.5 | 174.7 | -77.4 | 167.6 | 0 | 0 | 0 | 112.5 | D199 C202 A205 G222 V228 N229 | D199-L226 HydrophobicContact CB-CD2 4.4Å; D199-L226 HydrophobicContact CB-CG 4.01Å; C202-L226 HydrophobicContact CB-CD2 3.71Å; A205-L226 HydrophobicContact CB-CD2 3.82Å; A205-L226 HydrophobicContact CB-CG 4.43Å; G222-L226 WeakPolarHBondContact O-CB 3.21Å; G222-L226 VanDerWaalsContact O-CG 3.31Å; G222-L226 WeakPolarHBondContact O-CG 3.45Å; G222-L226 PolarHBondContact O-N 3.48Å; L226-V228 PolarHBondContact O-N 2.99Å; L226-N229 PolarHBondContact O-N 3.36Å; L226-N229 PolarHBondContact O-OD1 2.92Å; L226-N229 VanDerWaalsContact O-OD1 3.11Å |
| 227 | K | 98.7 | Very high | 98.2 | Very high | 148 Ų | 148 | 31.3 Ų | 31.3 | 64% | 0.643 | 15% | 0.15 | S | C | * | . | H | α-helix | trans | -65.1 | -23.9 | -175.8 | -76.3 | 166.2 | -166.6 | 169.9 | 0 | 113.9 | E223 S224 I225 V259 | E223-K227 WeakPolarHBondContact O-CD 3.5Å; E223-K227 WeakPolarHBondContact O-CE 3.44Å; E223-K227 WeakPolarHBondContact O-CG 3.39Å; E223-K227 PolarHBondContact O-N 3.27Å; S224-K227 PolarHBondContact O-N 2.87Å; I225-K227 PolarHBondContact O-N 3.44Å; K227-V259 HydrophobicContact CB-CG1 4.28Å; K227-V259 HydrophobicContact CD-CG1 4.32Å |
| 228 | V | 98.8 | Very high | 98.2 | Very high | 15 Ų | 15 | 32.7 Ų | 32.7 | 9% | 0.091 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -113.2 | -0.4 | -176 | -54.2 | 0 | 0 | 0 | 0 | 113.4 | S224 I225 L226 L230 Y254 M255 V259 | S224-V228 WeakPolarHBondContact O-CG2 3.36Å; S224-V228 PolarHBondContact O-N 3.38Å; I225-V228 PolarHBondContact O-N 2.86Å; L226-V228 PolarHBondContact O-N 2.99Å; V228-L230 VanDerWaalsContact C-N 3.32Å; V228-L230 HydrophobicContact CG2-CB 4.02Å; V228-L230 HydrophobicContact CG2-CD1 4.46Å; V228-L230 PolarHBondContact O-N 3.32Å; V228-Y254 HydrophobicContact CB-CD1 4.16Å; V228-Y254 HydrophobicContact CB-CE1 4.09Å; V228-Y254 HydrophobicContact CG1-CD1 4.1Å; V228-Y254 HydrophobicContact CG1-CE1 3.89Å; V228-M255 HydrophobicContact CG2-CB 4.09Å; V228-M255 HydrophobicContact CG2-CG 4.07Å; V228-M255 HydrophobicContact CG2-SD 4.39Å; V228-V259 HydrophobicContact CG1-CG1 4.17Å; V228-V259 HydrophobicContact CG1-CG2 3.92Å |
| 229 | N | 98.9 | Very high | 98.2 | Very high | 92 Ų | 92 | 36.9 Ų | 36.9 | 49% | 0.492 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.7 | 55.6 | -172.2 | -66.8 | -6.5 | 0 | 0 | 0 | 111.3 | G204 I225 L226 A231 R232 L233 | G204-N229 CarbonylContact O-C 3.56Å; G204-N229 VanDerWaalsContact O-CA 3.32Å; G204-N229 WeakPolarHBondContact O-CA 3.35Å; G204-N229 VanDerWaalsContact O-O 3.08Å; I225-N229 PolarHBondContact O-N 2.93Å; L226-N229 PolarHBondContact O-N 3.36Å; L226-N229 PolarHBondContact O-OD1 2.92Å; L226-N229 VanDerWaalsContact O-OD1 3.11Å; N229-A231 VanDerWaalsContact C-N 3.33Å; N229-A231 PolarHBondContact O-N 2.84Å; N229-R232 PolarHBondContact O-N 3.2Å; N229-R232 VanDerWaalsContact O-N 3.14Å; N229-L233 VanDerWaalsContact O-CB 3.3Å; N229-L233 WeakPolarHBondContact O-CB 3.44Å; N229-L233 PolarHBondContact O-N 3.43Å |
| 230 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -51.4 | -49.4 | -166 | -176.6 | 61.6 | 0 | 0 | 0 | 112.4 | T218 I225 V228 R232 L233 T234 L252 M255 L265 | T218-L230 HydrophobicContact CG2-CB 4.26Å; T218-L230 HydrophobicContact CG2-CD2 3.94Å; T218-L230 HydrophobicContact CG2-CG 4.02Å; I225-L230 HydrophobicContact CG1-CD2 4.09Å; I225-L230 HydrophobicContact CG2-CB 3.9Å; I225-L230 PolarHBondContact O-N 3.42Å; V228-L230 VanDerWaalsContact C-N 3.32Å; V228-L230 HydrophobicContact CG2-CB 4.02Å; V228-L230 HydrophobicContact CG2-CD1 4.46Å; V228-L230 PolarHBondContact O-N 3.32Å; L230-R232 PolarHBondContact O-N 2.93Å; L230-L233 PolarHBondContact O-N 3.21Å; L230-T234 PolarHBondContact O-N 3.07Å; L230-T234 PolarHBondContact O-OG1 2.92Å; L230-L252 HydrophobicContact CD1-CD2 4.31Å; L230-L252 HydrophobicContact CD2-CD2 3.97Å; L230-M255 HydrophobicContact CD2-CE 4.11Å; L230-M255 HydrophobicContact CD2-SD 4.07Å; L230-L265 HydrophobicContact CD1-CD2 4.44Å; L230-L265 HydrophobicContact CG-CD2 4.35Å |
| 231 | A | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.4 | -49.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | G204 A205 G207 I216 T218 N229 L233 T234 L235 | G204-A231 PolarHBondContact O-N 3.2Å; A205-A231 VanDerWaalsContact O-CB 3.31Å; A205-A231 WeakPolarHBondContact O-CB 3.48Å; A205-A231 PolarHBondContact O-N 3.04Å; G207-A231 VanDerWaalsContact C-CB 3.46Å; G207-A231 VanDerWaalsContact CA-CB 3.48Å; I216-A231 HydrophobicContact CB-CB 4.26Å; I216-A231 HydrophobicContact CG2-CB 3.94Å; T218-A231 HydrophobicContact CG2-CB 3.92Å; N229-A231 VanDerWaalsContact C-N 3.33Å; N229-A231 PolarHBondContact O-N 2.84Å; A231-L233 VanDerWaalsContact C-N 3.35Å; A231-L233 PolarHBondContact O-N 3.28Å; A231-T234 PolarHBondContact O-N 2.92Å; A231-L235 PolarHBondContact O-N 2.87Å |
| 232 | R | 98.9 | Very high | 98.5 | Very high | 63 Ų | 63 | 47.7 Ų | 47.7 | 24% | 0.238 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -69.7 | -34.2 | -179.2 | -176.5 | 61.2 | -170.8 | 89.3 | -11.4 | 112.1 | G204 N229 L230 L235 F236 E239 | G204-R232 PolarHBondContact O-N 3.12Å; N229-R232 PolarHBondContact O-N 3.2Å; N229-R232 VanDerWaalsContact O-N 3.14Å; L230-R232 PolarHBondContact O-N 2.93Å; R232-L235 PolarHBondContact O-N 3.25Å; R232-F236 PolarHBondContact O-N 3.39Å; R232-E239 IonicContact CZ-OE2 3.43Å; R232-E239 IonicContact NH1-OE2 3.19Å; R232-E239 PolarHBondContact NH1-OE2 3.14Å; R232-E239 VanDerWaalsContact NH2-CD 3.31Å; R232-E239 IonicContact NH2-OE1 3.68Å; R232-E239 PolarHBondContact NH2-OE1 2.8Å; R232-E239 VanDerWaalsContact NH2-OE1 3.11Å; R232-E239 IonicContact NH2-OE2 2.81Å; R232-E239 PolarHBondContact NH2-OE2 3.23Å |
| 233 | L | 98.9 | Very high | 98.7 | Very high | 37 Ų | 37 | 51.3 Ų | 51.3 | 19% | 0.194 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.6 | -41.6 | 176.1 | 176.3 | 62.5 | 0 | 0 | 0 | 111.6 | N229 L230 A231 F236 H237 Y254 | N229-L233 VanDerWaalsContact O-CB 3.3Å; N229-L233 WeakPolarHBondContact O-CB 3.44Å; N229-L233 PolarHBondContact O-N 3.43Å; L230-L233 PolarHBondContact O-N 3.21Å; A231-L233 VanDerWaalsContact C-N 3.35Å; A231-L233 PolarHBondContact O-N 3.28Å; L233-F236 VanDerWaalsContact O-CB 3.32Å; L233-F236 WeakPolarHBondContact O-CB 3.48Å; L233-F236 PolarHBondContact O-N 3.43Å; L233-H237 PolarHBondContact O-CD2 2.92Å; L233-H237 PolarHBondContact O-N 3.41Å; L233-Y254 HydrophobicContact CD2-CD1 3.61Å; L233-Y254 HydrophobicContact CD2-CE1 4.3Å; L233-Y254 HydrophobicContact CD2-CG 4.34Å |
| 234 | T | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.7 | -46.2 | 175.9 | -50.8 | 0 | 0 | 0 | 0 | 111 | I216 L230 A231 F236 H237 I238 A247 S251 L265 | I216-T234 HydrophobicContact CD1-CG2 3.36Å; L230-T234 PolarHBondContact O-N 3.07Å; L230-T234 PolarHBondContact O-OG1 2.92Å; A231-T234 PolarHBondContact O-N 2.92Å; T234-F236 PolarHBondContact O-N 3.47Å; T234-H237 PolarHBondContact O-N 2.98Å; T234-H237 VanDerWaalsContact O-N 3.11Å; T234-I238 PolarHBondContact O-N 2.92Å; T234-A247 HydrophobicContact CG2-CB 4.05Å; T234-S251 WeakPolarHBondContact OG1-CB 3.19Å; T234-S251 PolarHBondContact OG1-OG 3.03Å; T234-L265 HydrophobicContact CG2-CD1 4.35Å; T234-L265 HydrophobicContact CG2-CD2 4.09Å; T234-L265 WeakPolarHBondContact OG1-CD2 3.35Å |
| 235 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.2 | -34 | 174.3 | -69.7 | -178.5 | 0 | 0 | 0 | 112.4 | Y208 I213 I216 A231 R232 H237 I238 E239 | Y208-L235 HydrophobicContact CD1-CD1 3.45Å; Y208-L235 VanDerWaalsContact CD1-CD1 3.45Å; Y208-L235 HydrophobicContact CE1-CD1 4.41Å; Y208-L235 HydrophobicContact CG-CD1 4.09Å; I213-L235 HydrophobicContact CB-CD2 4.38Å; I213-L235 HydrophobicContact CD1-CB 4.46Å; I213-L235 HydrophobicContact CG2-CB 4.12Å; I213-L235 HydrophobicContact CG2-CD2 3.84Å; I213-L235 HydrophobicContact CG2-CG 4.48Å; I216-L235 HydrophobicContact CD1-CD2 3.61Å; I216-L235 HydrophobicContact CD1-CG 3.63Å; I216-L235 HydrophobicContact CG1-CD2 3.74Å; I216-L235 HydrophobicContact CG1-CG 3.94Å; A231-L235 PolarHBondContact O-N 2.87Å; R232-L235 PolarHBondContact O-N 3.25Å; L235-H237 VanDerWaalsContact C-N 3.3Å; L235-H237 PolarHBondContact O-N 3.08Å; L235-I238 HydrophobicContact CD2-CD1 4.12Å; L235-I238 WeakPolarHBondContact O-CB 3.33Å; L235-I238 PolarHBondContact O-N 2.86Å; L235-I238 VanDerWaalsContact O-N 3.07Å; L235-E239 PolarHBondContact O-N 2.65Å |
| 236 | F | 98.9 | Very high | 98.8 | Very high | 98 Ų | 98 | 58.3 Ų | 58.3 | 43% | 0.43 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59.2 | -40.5 | 174.2 | -168.9 | -91.3 | 0 | 0 | 0 | 112.3 | R232 L233 T234 I238 E239 Q240 | R232-F236 PolarHBondContact O-N 3.39Å; L233-F236 VanDerWaalsContact O-CB 3.32Å; L233-F236 WeakPolarHBondContact O-CB 3.48Å; L233-F236 PolarHBondContact O-N 3.43Å; T234-F236 PolarHBondContact O-N 3.47Å; F236-I238 VanDerWaalsContact C-N 3.32Å; F236-I238 PolarHBondContact O-N 3.35Å; F236-E239 VanDerWaalsContact CA-OE2 3.22Å; F236-E239 WeakPolarHBondContact CA-OE2 3.43Å; F236-E239 WeakPolarHBondContact O-CB 3.36Å; F236-E239 PolarHBondContact O-N 2.79Å; F236-Q240 HydrophobicContact CD1-CG 4.1Å; F236-Q240 HydrophobicContact CE1-CG 3.83Å; F236-Q240 HydrophobicContact CZ-CG 4.44Å; F236-Q240 VanDerWaalsContact O-CG 3.27Å; F236-Q240 WeakPolarHBondContact O-CG 3.45Å; F236-Q240 PolarHBondContact O-N 3.05Å; F236-Q240 VanDerWaalsContact O-N 3.13Å |
| 237 | H | 98.9 | Very high | 98.8 | Very high | 39 Ų | 39 | 55.8 Ų | 55.8 | 18% | 0.181 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66 | -35 | 174.8 | -70 | -45.7 | 0 | 0 | 0 | 112.7 | L233 T234 L235 Q240 G241 K242 A247 | L233-H237 PolarHBondContact O-CD2 2.92Å; L233-H237 PolarHBondContact O-N 3.41Å; T234-H237 PolarHBondContact O-N 2.98Å; T234-H237 VanDerWaalsContact O-N 3.11Å; L235-H237 VanDerWaalsContact C-N 3.3Å; L235-H237 PolarHBondContact O-N 3.08Å; H237-Q240 CarbonylContact O-C 3.54Å; H237-Q240 PolarHBondContact O-N 3.03Å; H237-G241 PolarHBondContact O-N 3.3Å; H237-K242 HydrophobicContact CB-CB 4.25Å; H237-K242 HydrophobicContact CB-CG 4.09Å; H237-K242 WeakPolarHBondContact O-CB 3.47Å; H237-K242 VanDerWaalsContact O-CG 3.26Å; H237-K242 WeakPolarHBondContact O-CG 3.43Å; H237-K242 PolarHBondContact O-N 2.91Å; H237-A247 HydrophobicContact CB-CB 3.61Å |
| 238 | I | 98.8 | Very high | 98.8 | Very high | 28 Ų | 28 | 48.7 Ų | 48.7 | 14% | 0.144 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.3 | -43.1 | 174.8 | -60.1 | 178.3 | 0 | 0 | 0 | 110.7 | I213 T234 L235 F236 Q240 G241 V244 A247 V267 | I213-I238 HydrophobicContact CG2-CB 4Å; I213-I238 HydrophobicContact CG2-CG2 3.86Å; T234-I238 PolarHBondContact O-N 2.92Å; L235-I238 HydrophobicContact CD2-CD1 4.12Å; L235-I238 WeakPolarHBondContact O-CB 3.33Å; L235-I238 PolarHBondContact O-N 2.86Å; L235-I238 VanDerWaalsContact O-N 3.07Å; F236-I238 VanDerWaalsContact C-N 3.32Å; F236-I238 PolarHBondContact O-N 3.35Å; I238-Q240 PolarHBondContact O-N 2.78Å; I238-G241 PolarHBondContact O-N 2.81Å; I238-V244 HydrophobicContact CD1-CG1 4.08Å; I238-A247 HydrophobicContact CD1-CB 4.4Å; I238-A247 HydrophobicContact CG1-CB 3.6Å; I238-V267 HydrophobicContact CD1-CG2 3.86Å |
| 239 | E | 98.8 | Very high | 98.8 | Very high | 89 Ų | 89 | 51.8 Ų | 51.8 | 42% | 0.416 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -56.9 | -35 | 173.3 | -69.9 | 169.4 | 107.6 | 0 | 0 | 112 | I213 R232 L235 F236 G241 | I213-E239 HydrophobicContact CD1-CG 3.51Å; I213-E239 WeakPolarHBondContact CD1-OE1 3.16Å; I213-E239 HydrophobicContact CG1-CG 3.75Å; I213-E239 HydrophobicContact CG2-CG 4.01Å; R232-E239 IonicContact CZ-OE2 3.43Å; R232-E239 IonicContact NH1-OE2 3.19Å; R232-E239 PolarHBondContact NH1-OE2 3.14Å; R232-E239 VanDerWaalsContact NH2-CD 3.31Å; R232-E239 IonicContact NH2-OE1 3.68Å; R232-E239 PolarHBondContact NH2-OE1 2.8Å; R232-E239 VanDerWaalsContact NH2-OE1 3.11Å; R232-E239 IonicContact NH2-OE2 2.81Å; R232-E239 PolarHBondContact NH2-OE2 3.23Å; L235-E239 PolarHBondContact O-N 2.65Å; F236-E239 VanDerWaalsContact CA-OE2 3.22Å; F236-E239 WeakPolarHBondContact CA-OE2 3.43Å; F236-E239 WeakPolarHBondContact O-CB 3.36Å; F236-E239 PolarHBondContact O-N 2.79Å; E239-G241 PolarHBondContact O-N 3.44Å |
| 240 | Q | 98.8 | Very high | 98.8 | Very high | 128 Ų | 128 | 51.4 Ų | 51.4 | 60% | 0.598 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | 10.7 | 176 | -61.7 | -61.2 | 113 | 0 | 0 | 113.8 | F236 H237 I238 | F236-Q240 HydrophobicContact CD1-CG 4.1Å; F236-Q240 HydrophobicContact CE1-CG 3.83Å; F236-Q240 HydrophobicContact CZ-CG 4.44Å; F236-Q240 VanDerWaalsContact O-CG 3.27Å; F236-Q240 WeakPolarHBondContact O-CG 3.45Å; F236-Q240 PolarHBondContact O-N 3.05Å; F236-Q240 VanDerWaalsContact O-N 3.13Å; H237-Q240 CarbonylContact O-C 3.54Å; H237-Q240 PolarHBondContact O-N 3.03Å; I238-Q240 PolarHBondContact O-N 2.78Å |
| 241 | G | 98.4 | Very high | 98.8 | Very high | 65 Ų | 65 | 51.4 Ų | 51.4 | 67% | 0.67 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.7 | 16.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | H237 I238 E239 | H237-G241 PolarHBondContact O-N 3.3Å; I238-G241 PolarHBondContact O-N 2.81Å; E239-G241 PolarHBondContact O-N 3.44Å |
| 242 | K | 98.8 | Very high | 98.8 | Very high | 89 Ų | 89 | 51.5 Ų | 51.5 | 39% | 0.387 | 27% | 0.265 | S | S | . | . | trans | -77.8 | 147.7 | 171.2 | -57.2 | -55.7 | 177.4 | -162.5 | 0 | 110.9 | H237 E246 A247 L250 | H237-K242 HydrophobicContact CB-CB 4.25Å; H237-K242 HydrophobicContact CB-CG 4.09Å; H237-K242 WeakPolarHBondContact O-CB 3.47Å; H237-K242 VanDerWaalsContact O-CG 3.26Å; H237-K242 WeakPolarHBondContact O-CG 3.43Å; H237-K242 PolarHBondContact O-N 2.91Å; K242-E246 WeakPolarHBondContact CA-OE2 3.25Å; K242-E246 HydrophobicContact CB-CB 3.98Å; K242-A247 HydrophobicContact CB-CB 4.26Å; K242-L250 HydrophobicContact CD-CD1 4.38Å; K242-L250 HydrophobicContact CG-CD1 4.16Å | ||
| 243 | T | 98.9 | Very high | 98.8 | Very high | 76 Ų | 76 | 50 Ų | 50 | 47% | 0.466 | 27% | 0.269 | S | S | . | . | trans | -65.6 | 163.3 | 169.5 | 73 | 0 | 0 | 0 | 0 | 110.3 | E245 E246 A247 | T243-E245 PolarHBondContact O-N 3.06Å; T243-E246 PolarHBondContact N-OE2 3.17Å; T243-E246 PolarHBondContact O-N 3.43Å; T243-E246 WeakPolarHBondContact OG1-CG 3.25Å; T243-E246 PolarHBondContact OG1-N 3.31Å; T243-A247 VanDerWaalsContact O-CB 3.25Å; T243-A247 WeakPolarHBondContact O-CB 3.32Å; T243-A247 PolarHBondContact O-N 2.76Å | ||
| 244 | V | 98.7 | Very high | 98.8 | Very high | 18 Ų | 18 | 52.6 Ų | 52.6 | 11% | 0.109 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -57.2 | -35.3 | 177.1 | -68.3 | 0 | 0 | 0 | 0 | 112.6 | I238 A248 V267 D273 V275 | I238-V244 HydrophobicContact CD1-CG1 4.08Å; V244-A248 WeakPolarHBondContact O-CB 3.33Å; V244-A248 PolarHBondContact O-N 2.89Å; V244-A248 VanDerWaalsContact O-N 3.11Å; V244-V267 HydrophobicContact CB-CG1 3.88Å; V244-V267 HydrophobicContact CG1-CG1 4.35Å; V244-V267 HydrophobicContact CG1-CG2 4.29Å; V244-D273 HydrophobicContact CG1-CB 4.13Å; V244-D273 HydrophobicContact CG2-CB 4.12Å; V244-V275 HydrophobicContact CB-CG1 4.17Å; V244-V275 HydrophobicContact CG2-CB 4.19Å; V244-V275 HydrophobicContact CG2-CG1 4.16Å |
| 245 | E | 98.8 | Very high | 98.8 | Very high | 94 Ų | 94 | 52.6 Ų | 52.6 | 44% | 0.439 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -74.1 | -47.5 | 177.5 | -176.9 | 168 | -145.4 | 0 | 0 | 112.2 | T243 A247 A248 D249 V275 K277 | T243-E245 PolarHBondContact O-N 3.06Å; E245-A247 VanDerWaalsContact C-N 3.29Å; E245-A247 PolarHBondContact O-N 3.11Å; E245-A248 PolarHBondContact O-N 3.01Å; E245-D249 PolarHBondContact O-N 3.47Å; E245-V275 HydrophobicContact CB-CG2 4.43Å; E245-K277 HydrophobicContact CG-CD 4.29Å; E245-K277 IonicContact OE1-NZ 2.73Å; E245-K277 PolarHBondContact OE1-NZ 3.25Å |
| 246 | E | 98.8 | Very high | 98.7 | Very high | 92 Ų | 92 | 57.3 Ų | 57.3 | 43% | 0.43 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.9 | -42.5 | 176.2 | -72.4 | 176 | 156.7 | 0 | 0 | 111.6 | K242 T243 D249 L250 | K242-E246 WeakPolarHBondContact CA-OE2 3.25Å; K242-E246 HydrophobicContact CB-CB 3.98Å; T243-E246 PolarHBondContact N-OE2 3.17Å; T243-E246 PolarHBondContact O-N 3.43Å; T243-E246 WeakPolarHBondContact OG1-CG 3.25Å; T243-E246 PolarHBondContact OG1-N 3.31Å; E246-D249 PolarHBondContact O-N 2.91Å; E246-L250 WeakPolarHBondContact O-CB 3.47Å; E246-L250 VanDerWaalsContact O-CG 3.23Å; E246-L250 WeakPolarHBondContact O-CG 3.35Å; E246-L250 PolarHBondContact O-N 3.06Å |
| 247 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.8 | -44 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | T234 H237 I238 K242 T243 E245 S251 | T234-A247 HydrophobicContact CG2-CB 4.05Å; H237-A247 HydrophobicContact CB-CB 3.61Å; I238-A247 HydrophobicContact CD1-CB 4.4Å; I238-A247 HydrophobicContact CG1-CB 3.6Å; K242-A247 HydrophobicContact CB-CB 4.26Å; T243-A247 VanDerWaalsContact O-CB 3.25Å; T243-A247 WeakPolarHBondContact O-CB 3.32Å; T243-A247 PolarHBondContact O-N 2.76Å; E245-A247 VanDerWaalsContact C-N 3.29Å; E245-A247 PolarHBondContact O-N 3.11Å; A247-S251 VanDerWaalsContact O-CB 3.3Å; A247-S251 WeakPolarHBondContact O-CB 2.89Å; A247-S251 PolarHBondContact O-N 3.04Å; A247-S251 PolarHBondContact O-OG 3.09Å |
| 248 | A | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.1 | -48 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | V244 E245 L250 S251 L252 L265 V275 K277 | V244-A248 WeakPolarHBondContact O-CB 3.33Å; V244-A248 PolarHBondContact O-N 2.89Å; V244-A248 VanDerWaalsContact O-N 3.11Å; E245-A248 PolarHBondContact O-N 3.01Å; A248-L250 PolarHBondContact O-N 2.95Å; A248-S251 PolarHBondContact O-N 3.05Å; A248-S251 PolarHBondContact O-OG 3.46Å; A248-L252 VanDerWaalsContact O-CB 3.32Å; A248-L252 WeakPolarHBondContact O-CB 3.44Å; A248-L252 VanDerWaalsContact O-CG 3.28Å; A248-L252 WeakPolarHBondContact O-CG 3.44Å; A248-L252 PolarHBondContact O-N 3.36Å; A248-L265 HydrophobicContact CB-CD1 3.76Å; A248-L265 HydrophobicContact CB-CD2 4.48Å; A248-L265 HydrophobicContact CB-CG 4.41Å; A248-V275 HydrophobicContact CB-CG1 4.2Å; A248-K277 HydrophobicContact CB-CB 3.9Å; A248-K277 HydrophobicContact CB-CG 3.8Å |
| 249 | D | 98.8 | Very high | 98.6 | Very high | 79 Ų | 79 | 63.8 Ų | 63.8 | 42% | 0.422 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.1 | -42.1 | -179.6 | -76.3 | -23 | 0 | 0 | 0 | 112.2 | E245 E246 G253 K277 | E245-D249 PolarHBondContact O-N 3.47Å; E246-D249 PolarHBondContact O-N 2.91Å; D249-G253 WeakPolarHBondContact O-CA 3.35Å; D249-G253 PolarHBondContact O-N 3.19Å; D249-K277 WeakPolarHBondContact OD1-CE 3.23Å; D249-K277 IonicContact OD1-NZ 3.76Å; D249-K277 PolarHBondContact OD1-NZ 2.97Å; D249-K277 IonicContact OD2-NZ 3.43Å; D249-K277 PolarHBondContact OD2-NZ 3.18Å |
| 250 | L | 98.9 | Very high | 98.4 | Very high | 85 Ų | 85 | 67.9 Ų | 67.9 | 45% | 0.445 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.7 | -47.8 | 177.2 | -74.7 | 169.7 | 0 | 0 | 0 | 112.2 | K242 E246 A248 G253 Y254 | K242-L250 HydrophobicContact CD-CD1 4.38Å; K242-L250 HydrophobicContact CG-CD1 4.16Å; E246-L250 WeakPolarHBondContact O-CB 3.47Å; E246-L250 VanDerWaalsContact O-CG 3.23Å; E246-L250 WeakPolarHBondContact O-CG 3.35Å; E246-L250 PolarHBondContact O-N 3.06Å; A248-L250 PolarHBondContact O-N 2.95Å; L250-G253 PolarHBondContact O-N 3.45Å; L250-Y254 WeakPolarHBondContact O-CB 3.34Å; L250-Y254 PolarHBondContact O-N 3.13Å |
| 251 | S | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -67.7 | -44.9 | -176.9 | 58.5 | 0 | 0 | 0 | 0 | 112.3 | T234 A247 A248 Y254 M255 | T234-S251 WeakPolarHBondContact OG1-CB 3.19Å; T234-S251 PolarHBondContact OG1-OG 3.03Å; A247-S251 VanDerWaalsContact O-CB 3.3Å; A247-S251 WeakPolarHBondContact O-CB 2.89Å; A247-S251 PolarHBondContact O-N 3.04Å; A247-S251 PolarHBondContact O-OG 3.09Å; A248-S251 PolarHBondContact O-N 3.05Å; A248-S251 PolarHBondContact O-OG 3.46Å; S251-Y254 PolarHBondContact O-N 3.33Å; S251-M255 PolarHBondContact O-N 2.6Å; S251-M255 VanDerWaalsContact O-N 3.09Å |
| 252 | L | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.7 | -40.6 | 172.8 | -68.3 | 169 | 0 | 0 | 0 | 111.8 | L230 A248 Y254 M255 K256 L265 K277 T279 | L230-L252 HydrophobicContact CD1-CD2 4.31Å; L230-L252 HydrophobicContact CD2-CD2 3.97Å; A248-L252 VanDerWaalsContact O-CB 3.32Å; A248-L252 WeakPolarHBondContact O-CB 3.44Å; A248-L252 VanDerWaalsContact O-CG 3.28Å; A248-L252 WeakPolarHBondContact O-CG 3.44Å; A248-L252 PolarHBondContact O-N 3.36Å; L252-Y254 VanDerWaalsContact C-N 3.31Å; L252-Y254 PolarHBondContact O-N 3.21Å; L252-M255 HydrophobicContact CD2-CE 4.23Å; L252-M255 PolarHBondContact O-N 3.5Å; L252-K256 PolarHBondContact O-N 2.7Å; L252-L265 HydrophobicContact CD1-CD2 4.3Å; L252-L265 HydrophobicContact CD1-CG 4.3Å; L252-L265 HydrophobicContact CD2-CD2 4.15Å; L252-L265 HydrophobicContact CG-CD2 3.95Å; L252-L265 HydrophobicContact CG-CG 4.45Å; L252-K277 HydrophobicContact CD1-CB 3.96Å; L252-T279 HydrophobicContact CB-CG2 3.76Å; L252-T279 HydrophobicContact CD1-CG2 4.49Å |
| 253 | G | 98.7 | Very high | 97.9 | Very high | 31 Ų | 31 | 56.7 Ų | 56.7 | 32% | 0.32 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.2 | -38.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | D249 L250 K256 S257 | D249-G253 WeakPolarHBondContact O-CA 3.35Å; D249-G253 PolarHBondContact O-N 3.19Å; L250-G253 PolarHBondContact O-N 3.45Å; G253-K256 PolarHBondContact O-N 3.22Å; G253-S257 WeakPolarHBondContact O-CB 3.39Å; G253-S257 PolarHBondContact O-N 3.1Å; G253-S257 PolarHBondContact O-OG 3.4Å |
| 254 | Y | 98.9 | Very high | 97.9 | Very high | 92 Ų | 92 | 53.1 Ų | 53.1 | 36% | 0.361 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65.3 | -44.9 | 173.5 | -179.1 | -108.9 | 0 | 0 | 0 | 111.9 | V228 L233 L250 S251 L252 K256 S257 R258 | V228-Y254 HydrophobicContact CB-CD1 4.16Å; V228-Y254 HydrophobicContact CB-CE1 4.09Å; V228-Y254 HydrophobicContact CG1-CD1 4.1Å; V228-Y254 HydrophobicContact CG1-CE1 3.89Å; L233-Y254 HydrophobicContact CD2-CD1 3.61Å; L233-Y254 HydrophobicContact CD2-CE1 4.3Å; L233-Y254 HydrophobicContact CD2-CG 4.34Å; L250-Y254 WeakPolarHBondContact O-CB 3.34Å; L250-Y254 PolarHBondContact O-N 3.13Å; S251-Y254 PolarHBondContact O-N 3.33Å; L252-Y254 VanDerWaalsContact C-N 3.31Å; L252-Y254 PolarHBondContact O-N 3.21Å; Y254-K256 VanDerWaalsContact C-N 3.33Å; Y254-K256 PolarHBondContact O-N 2.92Å; Y254-S257 WeakPolarHBondContact CA-OG 3.49Å; Y254-S257 PolarHBondContact O-N 3.39Å; Y254-S257 PolarHBondContact O-OG 3.03Å; Y254-R258 HydrophobicContact CD2-CB 4.23Å; Y254-R258 HydrophobicContact CE1-CB 4.36Å; Y254-R258 HydrophobicContact CE1-CG 4.42Å; Y254-R258 HydrophobicContact CE2-CB 3.89Å; Y254-R258 HydrophobicContact CE2-CG 4.11Å; Y254-R258 WeakPolarHBondContact O-CB 3.36Å; Y254-R258 PolarHBondContact O-N 2.87Å; Y254-R258 PolarHBondContact OH-NH1 2.87Å |
| 255 | M | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.6 | -44.7 | 175.7 | -171.6 | 176.3 | 62.4 | 0 | 0 | 111.9 | I225 V228 L230 S251 L252 V259 K260 G261 | I225-M255 HydrophobicContact CG1-SD 3.81Å; V228-M255 HydrophobicContact CG2-CB 4.09Å; V228-M255 HydrophobicContact CG2-CG 4.07Å; V228-M255 HydrophobicContact CG2-SD 4.39Å; L230-M255 HydrophobicContact CD2-CE 4.11Å; L230-M255 HydrophobicContact CD2-SD 4.07Å; S251-M255 PolarHBondContact O-N 2.6Å; S251-M255 VanDerWaalsContact O-N 3.09Å; L252-M255 HydrophobicContact CD2-CE 4.23Å; L252-M255 PolarHBondContact O-N 3.5Å; M255-V259 HydrophobicContact CG-CG2 3.8Å; M255-V259 WeakPolarHBondContact O-CG2 3.4Å; M255-V259 PolarHBondContact O-N 3.2Å; M255-V259 VanDerWaalsContact O-N 3.13Å; M255-K260 PolarHBondContact O-N 2.89Å; M255-G261 PolarHBondContact O-N 2.91Å |
| 256 | K | 97.6 | Very high | 97.9 | Very high | 99 Ų | 99 | 47.8 Ų | 47.8 | 43% | 0.43 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.1 | -50 | 176.6 | -179.9 | -179.4 | -74 | -179.9 | 0 | 111.8 | L252 G253 Y254 K260 G261 L262 | L252-K256 PolarHBondContact O-N 2.7Å; G253-K256 PolarHBondContact O-N 3.22Å; Y254-K256 VanDerWaalsContact C-N 3.33Å; Y254-K256 PolarHBondContact O-N 2.92Å; K256-K260 WeakPolarHBondContact O-CA 3.37Å; K256-K260 PolarHBondContact O-N 3.01Å; K256-K260 VanDerWaalsContact O-N 3.14Å; K256-G261 WeakPolarHBondContact CA-O 3.26Å; K256-G261 PolarHBondContact N-O 3.47Å; K256-L262 HydrophobicContact CB-CD2 4.44Å; K256-L262 HydrophobicContact CD-CD2 4.26Å; K256-L262 HydrophobicContact CG-CD2 4.09Å |
| 257 | S | 98.1 | Very high | 97.9 | Very high | 91 Ų | 91 | 43.4 Ų | 43.4 | 64% | 0.636 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -72.6 | -40.7 | -175.2 | 56.2 | 0 | 0 | 0 | 0 | 113.3 | G253 Y254 | G253-S257 WeakPolarHBondContact O-CB 3.39Å; G253-S257 PolarHBondContact O-N 3.1Å; G253-S257 PolarHBondContact O-OG 3.4Å; Y254-S257 WeakPolarHBondContact CA-OG 3.49Å; Y254-S257 PolarHBondContact O-N 3.39Å; Y254-S257 PolarHBondContact O-OG 3.03Å |
| 258 | R | 98.3 | Very high | 97.9 | Very high | 167 Ų | 167 | 43.4 Ų | 43.4 | 63% | 0.63 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -83 | -43.6 | -173.4 | -175.7 | 62 | -178.6 | -89.6 | 4.4 | 113.5 | Y254 | Y254-R258 HydrophobicContact CD2-CB 4.23Å; Y254-R258 HydrophobicContact CE1-CB 4.36Å; Y254-R258 HydrophobicContact CE1-CG 4.42Å; Y254-R258 HydrophobicContact CE2-CB 3.89Å; Y254-R258 HydrophobicContact CE2-CG 4.11Å; Y254-R258 WeakPolarHBondContact O-CB 3.36Å; Y254-R258 PolarHBondContact O-N 2.87Å; Y254-R258 PolarHBondContact OH-NH1 2.87Å |
| 259 | V | 96.6 | Very high | 97.9 | Very high | 43 Ų | 43 | 43.7 Ų | 43.7 | 26% | 0.261 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -123.7 | 8 | -171.8 | -60.3 | 0 | 0 | 0 | 0 | 113.5 | K227 V228 M255 G261 | K227-V259 HydrophobicContact CB-CG1 4.28Å; K227-V259 HydrophobicContact CD-CG1 4.32Å; V228-V259 HydrophobicContact CG1-CG1 4.17Å; V228-V259 HydrophobicContact CG1-CG2 3.92Å; M255-V259 HydrophobicContact CG-CG2 3.8Å; M255-V259 WeakPolarHBondContact O-CG2 3.4Å; M255-V259 PolarHBondContact O-N 3.2Å; M255-V259 VanDerWaalsContact O-N 3.13Å; V259-G261 PolarHBondContact O-N 2.97Å |
| 260 | K | 95.5 | Very high | 97.9 | Very high | 176 Ų | 176 | 44.8 Ų | 44.8 | 77% | 0.765 | 22% | 0.218 | S | C | * | . | trans | 56.2 | 23.6 | 179.2 | -54.5 | 179.8 | -177.8 | 179 | 0 | 113.3 | M255 K256 | M255-K260 PolarHBondContact O-N 2.89Å; K256-K260 WeakPolarHBondContact O-CA 3.37Å; K256-K260 PolarHBondContact O-N 3.01Å; K256-K260 VanDerWaalsContact O-N 3.14Å | ||
| 261 | G | 93.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -86.3 | 146 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | S224 M255 K256 V259 | S224-G261 VanDerWaalsContact OG-CA 3.25Å; S224-G261 WeakPolarHBondContact OG-CA 3.23Å; M255-G261 PolarHBondContact O-N 2.91Å; K256-G261 WeakPolarHBondContact CA-O 3.26Å; K256-G261 PolarHBondContact N-O 3.47Å; V259-G261 PolarHBondContact O-N 2.97Å | ||
| 262 | L | 95.8 | Very high | 97.8 | Very high | 47 Ų | 47 | 44.8 Ų | 44.8 | 25% | 0.246 | 22% | 0.222 | C | C | . | . | trans | -120.8 | 155.1 | 170.7 | -55.8 | 178.9 | 0 | 0 | 0 | 109.3 | H221 K256 | H221-L262 PolarHBondContact N-O 3.31Å; K256-L262 HydrophobicContact CB-CD2 4.44Å; K256-L262 HydrophobicContact CD-CD2 4.26Å; K256-L262 HydrophobicContact CG-CD2 4.09Å | ||
| 263 | G | 96.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175 | -158.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | T219 W278 T279 S280 | T219-G263 CarbonylContact O-C 3.55Å; T219-G263 WeakPolarHBondContact O-CA 3.43Å; G263-W278 CarbonylContact O-C 3.58Å; G263-W278 WeakPolarHBondContact O-CA 3.35Å; G263-W278 WeakPolarHBondContact O-CB 3.36Å; G263-T279 PolarHBondContact N-OG1 3.09Å; G263-T279 PolarHBondContact O-N 3.38Å; G263-T279 PolarHBondContact O-OG1 2.81Å; G263-S280 PolarHBondContact O-N 2.88Å |
| 264 | G | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 174 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | T218 T219 K277 | T218-G264 WeakPolarHBondContact CA-O 3.49Å; T219-G264 PolarHBondContact N-O 2.82Å; T219-G264 PolarHBondContact O-N 3.01Å; G264-K277 CarbonylContact C-O 3.51Å; G264-K277 WeakPolarHBondContact CA-O 3.24Å |
| 265 | L | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 157.7 | 179.7 | 64.7 | 84.4 | 0 | 0 | 0 | 110.9 | I216 S217 T218 L230 T234 A248 L252 V267 K277 | I216-L265 HydrophobicContact CG2-CB 4.34Å; S217-L265 VanDerWaalsContact O-CA 3.31Å; S217-L265 WeakPolarHBondContact O-CA 3.39Å; T218-L265 HydrophobicContact CG2-CB 4.04Å; L230-L265 HydrophobicContact CD1-CD2 4.44Å; L230-L265 HydrophobicContact CG-CD2 4.35Å; T234-L265 HydrophobicContact CG2-CD1 4.35Å; T234-L265 HydrophobicContact CG2-CD2 4.09Å; T234-L265 WeakPolarHBondContact OG1-CD2 3.35Å; A248-L265 HydrophobicContact CB-CD1 3.76Å; A248-L265 HydrophobicContact CB-CD2 4.48Å; A248-L265 HydrophobicContact CB-CG 4.41Å; L252-L265 HydrophobicContact CD1-CD2 4.3Å; L252-L265 HydrophobicContact CD1-CG 4.3Å; L252-L265 HydrophobicContact CD2-CD2 4.15Å; L252-L265 HydrophobicContact CG-CD2 3.95Å; L252-L265 HydrophobicContact CG-CG 4.45Å; L265-V267 HydrophobicContact CD1-CB 4.34Å; L265-V267 HydrophobicContact CD1-CG1 4.15Å; L265-K277 PolarHBondContact N-O 2.93Å; L265-K277 PolarHBondContact O-N 3.47Å |
| 266 | I | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 145 | 165.3 | 59.9 | 174 | 0 | 0 | 0 | 108.5 | V6 H8 V172 I216 S217 V275 A276 M283 | V6-I266 HydrophobicContact CB-CB 4.36Å; V6-I266 HydrophobicContact CB-CD1 4.09Å; V6-I266 HydrophobicContact CG1-CB 3.77Å; V6-I266 HydrophobicContact CG1-CD1 4.04Å; V6-I266 HydrophobicContact CG1-CG1 4.49Å; V6-I266 HydrophobicContact CG1-CG2 3.76Å; V6-I266 WeakPolarHBondContact O-CD1 3.28Å; H8-I266 HydrophobicContact CB-CD1 4.35Å; H8-I266 HydrophobicContact CB-CG2 3.91Å; V172-I266 HydrophobicContact CG1-CD1 4.33Å; V172-I266 HydrophobicContact CG1-CG1 4.16Å; V172-I266 HydrophobicContact CG2-CB 4.49Å; V172-I266 HydrophobicContact CG2-CD1 3.95Å; V172-I266 HydrophobicContact CG2-CG1 4.02Å; I216-I266 WeakPolarHBondContact CA-O 3.32Å; S217-I266 PolarHBondContact N-O 3.3Å; S217-I266 PolarHBondContact O-N 2.82Å; I266-V275 WeakPolarHBondContact CA-O 3.46Å; I266-A276 HydrophobicContact CG2-CB 3.87Å; I266-M283 HydrophobicContact CG2-CE 4.05Å |
| 267 | V | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 144.1 | 179.9 | 55.4 | 0 | 0 | 0 | 0 | 110.8 | A215 I216 I238 V244 L265 W274 V275 | A215-V267 WeakPolarHBondContact O-CA 3.48Å; I216-V267 HydrophobicContact CD1-CB 4.04Å; I216-V267 HydrophobicContact CD1-CG2 3.78Å; I216-V267 HydrophobicContact CG1-CB 3.76Å; I216-V267 HydrophobicContact CG1-CG2 3.57Å; I238-V267 HydrophobicContact CD1-CG2 3.86Å; V244-V267 HydrophobicContact CB-CG1 3.88Å; V244-V267 HydrophobicContact CG1-CG1 4.35Å; V244-V267 HydrophobicContact CG1-CG2 4.29Å; L265-V267 HydrophobicContact CD1-CB 4.34Å; L265-V267 HydrophobicContact CD1-CG1 4.15Å; V267-W274 WeakPolarHBondContact O-CA 3.31Å; V267-W274 WeakPolarHBondContact O-CB 3.46Å; V267-V275 HydrophobicContact CG1-CG1 3.48Å; V267-V275 VanDerWaalsContact CG1-CG1 3.48Å; V267-V275 PolarHBondContact N-O 2.91Å; V267-V275 PolarHBondContact O-N 2.94Å; V267-V275 VanDerWaalsContact O-N 3.14Å |
| 268 | V | 98.9 | Very high | 97.9 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 128.9 | 163.6 | 62.8 | 0 | 0 | 0 | 0 | 109 | I4 V172 L174 G214 A215 D273 | I4-V268 HydrophobicContact CG2-CG2 3.59Å; V172-V268 HydrophobicContact CB-CG1 3.95Å; V172-V268 HydrophobicContact CG2-CB 4.18Å; V172-V268 HydrophobicContact CG2-CG1 3.83Å; L174-V268 HydrophobicContact CB-CG2 3.92Å; G214-V268 CarbonylContact C-O 3.56Å; G214-V268 WeakPolarHBondContact CA-O 3.36Å; A215-V268 HydrophobicContact CB-CG1 4.11Å; A215-V268 PolarHBondContact N-O 2.73Å; A215-V268 PolarHBondContact O-N 2.86Å; V268-D273 CarbonylContact C-O 3.42Å; V268-D273 WeakPolarHBondContact CA-O 3.32Å |
| 269 | S | 98.8 | Very high | 97.9 | Very high | 5 Ų | 5 | 36.6 Ų | 36.6 | 4% | 0.035 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 162.9 | 173.5 | 73.2 | 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 2.92Å; S269-T271 PolarHBondContact OG-OG1 3.06Å; S269-G272 PolarHBondContact O-N 3.35Å; S269-G272 PolarHBondContact OG-N 3.35Å; S269-D273 PolarHBondContact N-O 3.32Å; S269-D273 WeakPolarHBondContact OG-CB 3.37Å; S269-D273 PolarHBondContact OG-N 2.81Å; S269-D273 VanDerWaalsContact OG-N 3.09Å; S269-D273 PolarHBondContact OG-O 3.02Å |
| 270 | K | 98.6 | Very high | 97.8 | Very high | 103 Ų | 103 | 35.5 Ų | 35.5 | 45% | 0.448 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -18.6 | 171.9 | 69.5 | 176.1 | 172.8 | -166.1 | 0 | 114.3 | M1 N211 D212 I213 | M1-K270 WeakPolarHBondContact CE-O 3.5Å; N211-K270 WeakPolarHBondContact O-CB 3.3Å; D212-K270 WeakPolarHBondContact O-CD 3.32Å; D212-K270 WeakPolarHBondContact O-CE 3.48Å; D212-K270 PolarHBondContact O-NZ 2.77Å; I213-K270 PolarHBondContact O-N 3.39Å |
| 271 | T | 98.3 | Very high | 97.7 | Very high | 84 Ų | 84 | 29.9 Ų | 29.9 | 52% | 0.515 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -4.1 | 176.1 | 50.1 | 0 | 0 | 0 | 0 | 112.9 | M1 S269 D273 | M1-T271 VanDerWaalsContact CE-O 3.26Å; M1-T271 WeakPolarHBondContact CE-O 3.38Å; S269-T271 PolarHBondContact O-N 3.05Å; S269-T271 VanDerWaalsContact O-N 3.08Å; S269-T271 PolarHBondContact OG-N 2.92Å; S269-T271 PolarHBondContact OG-OG1 3.06Å; T271-D273 PolarHBondContact OG1-OD2 3.36Å |
| 272 | G | 98.3 | Very high | 97.7 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | S | Bend | trans | 84.4 | 13 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | S269 K289 | S269-G272 PolarHBondContact O-N 3.35Å; S269-G272 PolarHBondContact OG-N 3.35Å; G272-K289 PolarHBondContact O-NZ 3.38Å |
| 273 | D | 98.8 | Very high | 97.8 | Very high | 92 Ų | 92 | 27.7 Ų | 27.7 | 49% | 0.492 | 14% | 0.144 | S | C | . | . | trans | -74 | 143.9 | 166.3 | -56 | -57.2 | 0 | 0 | 0 | 108.8 | V244 V268 S269 T271 | V244-D273 HydrophobicContact CG1-CB 4.13Å; V244-D273 HydrophobicContact CG2-CB 4.12Å; V268-D273 CarbonylContact C-O 3.42Å; V268-D273 WeakPolarHBondContact CA-O 3.32Å; S269-D273 PolarHBondContact N-O 3.32Å; S269-D273 WeakPolarHBondContact OG-CB 3.37Å; S269-D273 PolarHBondContact OG-N 2.81Å; S269-D273 VanDerWaalsContact OG-N 3.09Å; S269-D273 PolarHBondContact OG-O 3.02Å; T271-D273 PolarHBondContact OG1-OD2 3.36Å | ||
| 274 | W | 98.8 | Very high | 97.8 | Very high | 62 Ų | 62 | 27.7 Ų | 27.7 | 24% | 0.235 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 155.8 | -175.1 | 66.9 | -85.5 | 0 | 0 | 0 | 111.6 | I4 V6 V267 W285 A287 H294 | I4-W274 HydrophobicContact CD1-CB 3.63Å; I4-W274 HydrophobicContact CD1-CD2 3.84Å; I4-W274 HydrophobicContact CD1-CG 3.19Å; V6-W274 HydrophobicContact CG2-CB 4.06Å; V6-W274 HydrophobicContact CG2-CD2 4.33Å; V6-W274 HydrophobicContact CG2-CE3 4.15Å; V6-W274 HydrophobicContact CG2-CG 4.33Å; V267-W274 WeakPolarHBondContact O-CA 3.31Å; V267-W274 WeakPolarHBondContact O-CB 3.46Å; W274-W285 AromaticContact CH2-CH2 3.91Å; W274-W285 HydrophobicContact CH2-CH2 3.91Å; W274-W285 AromaticContact CH2-CZ3 3.6Å; W274-W285 HydrophobicContact CH2-CZ3 3.6Å; W274-W285 HydrophobicContact CZ3-CE3 4.21Å; W274-W285 HydrophobicContact CZ3-CH2 4.02Å; W274-W285 AromaticContact CZ3-CZ3 3.48Å; W274-W285 HydrophobicContact CZ3-CZ3 3.48Å; W274-W285 VanDerWaalsContact CZ3-CZ3 3.48Å; W274-A287 HydrophobicContact CD2-CB 4.07Å; W274-A287 HydrophobicContact CE3-CB 3.76Å; W274-A287 HydrophobicContact CH2-CB 3.52Å; W274-A287 HydrophobicContact CZ2-CB 3.81Å; W274-A287 HydrophobicContact CZ3-CB 3.49Å; W274-A287 VanDerWaalsContact CZ3-CB 3.49Å; W274-H294 HydrophobicContact CH2-CB 4Å; W274-H294 HydrophobicContact CZ2-CB 4.44Å |
| 275 | V | 98.8 | Very high | 97.8 | Very high | 21 Ų | 21 | 28.4 Ų | 28.4 | 13% | 0.127 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 154.2 | 171 | 75.6 | 0 | 0 | 0 | 0 | 111 | V244 E245 A248 I266 V267 K277 | V244-V275 HydrophobicContact CB-CG1 4.17Å; V244-V275 HydrophobicContact CG2-CB 4.19Å; V244-V275 HydrophobicContact CG2-CG1 4.16Å; E245-V275 HydrophobicContact CB-CG2 4.43Å; A248-V275 HydrophobicContact CB-CG1 4.2Å; I266-V275 WeakPolarHBondContact CA-O 3.46Å; V267-V275 HydrophobicContact CG1-CG1 3.48Å; V267-V275 VanDerWaalsContact CG1-CG1 3.48Å; V267-V275 PolarHBondContact N-O 2.91Å; V267-V275 PolarHBondContact O-N 2.94Å; V267-V275 VanDerWaalsContact O-N 3.14Å; V275-K277 HydrophobicContact CB-CG 4.45Å; V275-K277 HydrophobicContact CG1-CG 3.95Å; V275-K277 HydrophobicContact CG2-CD 3.8Å; V275-K277 HydrophobicContact CG2-CG 3.69Å |
| 276 | A | 98.7 | Very high | 97.8 | Very high | 10 Ų | 10 | 28.4 Ų | 28.4 | 8% | 0.083 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 121.9 | 164.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | I266 M283 W285 | I266-A276 HydrophobicContact CG2-CB 3.87Å; A276-M283 HydrophobicContact CB-CE 3.87Å; A276-W285 HydrophobicContact CB-CB 4Å; A276-W285 HydrophobicContact CB-CD2 3.71Å; A276-W285 HydrophobicContact CB-CE3 4Å; A276-W285 HydrophobicContact CB-CG 3.7Å |
| 277 | K | 98.6 | Very high | 97.8 | Very high | 45 Ų | 45 | 28.4 Ų | 28.4 | 20% | 0.196 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 146.1 | -178.2 | -62 | -70.8 | -74.9 | -153.6 | 0 | 110.6 | E245 A248 D249 L252 G264 L265 V275 | E245-K277 HydrophobicContact CG-CD 4.29Å; E245-K277 IonicContact OE1-NZ 2.73Å; E245-K277 PolarHBondContact OE1-NZ 3.25Å; A248-K277 HydrophobicContact CB-CB 3.9Å; A248-K277 HydrophobicContact CB-CG 3.8Å; D249-K277 WeakPolarHBondContact OD1-CE 3.23Å; D249-K277 IonicContact OD1-NZ 3.76Å; D249-K277 PolarHBondContact OD1-NZ 2.97Å; D249-K277 IonicContact OD2-NZ 3.43Å; D249-K277 PolarHBondContact OD2-NZ 3.18Å; L252-K277 HydrophobicContact CD1-CB 3.96Å; G264-K277 CarbonylContact C-O 3.51Å; G264-K277 WeakPolarHBondContact CA-O 3.24Å; L265-K277 PolarHBondContact N-O 2.93Å; L265-K277 PolarHBondContact O-N 3.47Å; V275-K277 HydrophobicContact CB-CG 4.45Å; V275-K277 HydrophobicContact CG1-CG 3.95Å; V275-K277 HydrophobicContact CG2-CD 3.8Å; V275-K277 HydrophobicContact CG2-CG 3.69Å |
| 278 | W | 98.3 | Very high | 97.8 | Very high | 48 Ų | 48 | 28.4 Ų | 28.4 | 18% | 0.182 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 152.7 | 179.2 | 63.5 | 97.3 | 0 | 0 | 0 | 111.8 | G263 S280 T281 M283 W285 P299 | G263-W278 CarbonylContact O-C 3.58Å; G263-W278 WeakPolarHBondContact O-CA 3.35Å; G263-W278 WeakPolarHBondContact O-CB 3.36Å; W278-S280 VanDerWaalsContact CD1-O 3.23Å; W278-T281 PolarHBondContact NE1-O 3.22Å; W278-M283 HydrophobicContact CB-CB 3.89Å; W278-M283 HydrophobicContact CB-SD 4.09Å; W278-M283 HydrophobicContact CD2-CB 3.67Å; W278-M283 HydrophobicContact CE3-CB 3.89Å; W278-M283 HydrophobicContact CE3-CE 3.82Å; W278-M283 HydrophobicContact CG-CB 3.67Å; W278-M283 HydrophobicContact CZ3-CE 4.49Å; W278-W285 AromaticContact CH2-NE1 3.82Å; W278-W285 AromaticContact CZ3-CD1 3.74Å; W278-W285 AromaticContact CZ3-NE1 3.74Å; W278-P299 HydrophobicContact CZ2-CG 4.08Å |
| 279 | T | 97.4 | Very high | 97.8 | Very high | 31 Ų | 31 | 30.3 Ų | 30.3 | 19% | 0.19 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -109.3 | -5.8 | 170.9 | 60 | 0 | 0 | 0 | 0 | 112.9 | L252 G263 | L252-T279 HydrophobicContact CB-CG2 3.76Å; L252-T279 HydrophobicContact CD1-CG2 4.49Å; G263-T279 PolarHBondContact N-OG1 3.09Å; G263-T279 PolarHBondContact O-N 3.38Å; G263-T279 PolarHBondContact O-OG1 2.81Å |
| 280 | S | 94.8 | Very high | 97.6 | Very high | 19 Ų | 19 | 34.6 Ų | 34.6 | 13% | 0.133 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -68.2 | -177.6 | 167.7 | 57.2 | 0 | 0 | 0 | 0 | 110.9 | G11 A12 G263 W278 S282 | G11-S280 VanDerWaalsContact C-OG 3.23Å; G11-S280 WeakPolarHBondContact CA-OG 3.27Å; A12-S280 PolarHBondContact N-OG 3.32Å; A12-S280 WeakPolarHBondContact O-CB 3.24Å; G263-S280 PolarHBondContact O-N 2.88Å; W278-S280 VanDerWaalsContact CD1-O 3.23Å; S280-S282 PolarHBondContact OG-O 2.87Å |
| 281 | T | 94.1 | Very high | 97.3 | Very high | 58 Ų | 58 | 31 Ų | 31 | 36% | 0.356 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -69.7 | -49.8 | 176.8 | -49.2 | 0 | 0 | 0 | 0 | 111.1 | A12 P14 W278 | A12-T281 PolarHBondContact O-N 3.36Å; A12-T281 VanDerWaalsContact O-N 3.09Å; P14-T281 HydrophobicContact CB-CG2 4.2Å; W278-T281 PolarHBondContact NE1-O 3.22Å |
| 282 | S | 94.4 | Very high | 97.2 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.007 | 17% | 0.165 | C | C | . | . | B | Isolated β-bridge | trans | -136.4 | 156.1 | -176.5 | -52 | 0 | 0 | 0 | 0 | 109.9 | G11 A12 S280 I297 D298 | G11-S282 WeakPolarHBondContact CA-O 3.26Å; A12-S282 PolarHBondContact N-O 3.08Å; A12-S282 PolarHBondContact O-N 3.35Å; S280-S282 PolarHBondContact OG-O 2.87Å; S282-I297 WeakPolarHBondContact CA-O 3.33Å; S282-D298 WeakPolarHBondContact CB-OD1 3.4Å; S282-D298 PolarHBondContact OG-OD1 3.29Å |
| 283 | M | 97 | Very high | 97.2 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -148.6 | 106.6 | 167 | -173.2 | 178.3 | 80.5 | 0 | 0 | 108.6 | H8 G10 T219 I266 A276 W278 W285 I297 | H8-M283 HydrophobicContact CB-SD 4.47Å; G10-M283 WeakPolarHBondContact O-CA 3.33Å; T219-M283 HydrophobicContact CG2-CG 4.25Å; T219-M283 HydrophobicContact CG2-SD 3.76Å; I266-M283 HydrophobicContact CG2-CE 4.05Å; A276-M283 HydrophobicContact CB-CE 3.87Å; W278-M283 HydrophobicContact CB-CB 3.89Å; W278-M283 HydrophobicContact CB-SD 4.09Å; W278-M283 HydrophobicContact CD2-CB 3.67Å; W278-M283 HydrophobicContact CE3-CB 3.89Å; W278-M283 HydrophobicContact CE3-CE 3.82Å; W278-M283 HydrophobicContact CG-CB 3.67Å; W278-M283 HydrophobicContact CZ3-CE 4.49Å; M283-W285 HydrophobicContact CE-CB 4.38Å; M283-W285 VanDerWaalsContact O-CD1 3.27Å; M283-W285 PolarHBondContact O-N 3.03Å; M283-I297 PolarHBondContact N-O 2.88Å | ||
| 284 | P | 97.2 | Very high | 97.2 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.006 | 15% | 0.152 | C | C | . | . | trans | -59.9 | 130.3 | 172.4 | -23 | 34.7 | 0 | 0 | 0 | 110.2 | H8 G9 G10 I15 M23 I27 G296 I297 | H8-P284 CarbonylContact C-O 3.53Å; H8-P284 WeakPolarHBondContact CA-O 3.28Å; G9-P284 PolarHBondContact N-O 3.15Å; G10-P284 VanDerWaalsContact O-CD 3.23Å; G10-P284 WeakPolarHBondContact O-CD 3.21Å; I15-P284 HydrophobicContact CD1-CG 3.57Å; M23-P284 HydrophobicContact CE-CB 4.36Å; M23-P284 HydrophobicContact CE-CG 3.59Å; M23-P284 HydrophobicContact SD-CG 4.25Å; I27-P284 HydrophobicContact CD1-CB 4.41Å; I27-P284 HydrophobicContact CG1-CB 3.91Å; P284-G296 WeakPolarHBondContact CA-O 3.42Å; P284-I297 HydrophobicContact CB-CG1 4.21Å; P284-I297 HydrophobicContact CG-CG1 4.41Å; P284-I297 HydrophobicContact CG-CG2 4.27Å | ||
| 285 | W | 98.6 | Very high | 97.1 | Very high | 14 Ų | 14 | 28.2 Ų | 28.2 | 5% | 0.053 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 154.1 | -179.5 | 69.5 | -88.8 | 0 | 0 | 0 | 111.3 | V7 I27 W274 A276 W278 M283 A287 H294 F295 G296 T302 | V7-W285 VanDerWaalsContact O-CA 3.25Å; V7-W285 WeakPolarHBondContact O-CA 3.45Å; I27-W285 VanDerWaalsContact CG2-C 3.41Å; I27-W285 WeakPolarHBondContact CG2-O 3.31Å; W274-W285 AromaticContact CH2-CH2 3.91Å; W274-W285 HydrophobicContact CH2-CH2 3.91Å; W274-W285 AromaticContact CH2-CZ3 3.6Å; W274-W285 HydrophobicContact CH2-CZ3 3.6Å; W274-W285 HydrophobicContact CZ3-CE3 4.21Å; W274-W285 HydrophobicContact CZ3-CH2 4.02Å; W274-W285 AromaticContact CZ3-CZ3 3.48Å; W274-W285 HydrophobicContact CZ3-CZ3 3.48Å; W274-W285 VanDerWaalsContact CZ3-CZ3 3.48Å; A276-W285 HydrophobicContact CB-CB 4Å; A276-W285 HydrophobicContact CB-CD2 3.71Å; A276-W285 HydrophobicContact CB-CE3 4Å; A276-W285 HydrophobicContact CB-CG 3.7Å; W278-W285 AromaticContact CH2-NE1 3.82Å; W278-W285 AromaticContact CZ3-CD1 3.74Å; W278-W285 AromaticContact CZ3-NE1 3.74Å; M283-W285 HydrophobicContact CE-CB 4.38Å; M283-W285 VanDerWaalsContact O-CD1 3.27Å; M283-W285 PolarHBondContact O-N 3.03Å; W285-A287 HydrophobicContact CZ3-CB 4.11Å; W285-H294 HydrophobicContact CH2-CB 3.87Å; W285-H294 HydrophobicContact CZ3-CB 3.75Å; W285-F295 VanDerWaalsContact O-CA 3.29Å; W285-F295 WeakPolarHBondContact O-CA 3.06Å; W285-G296 PolarHBondContact N-O 3.23Å; W285-G296 PolarHBondContact O-N 2.93Å; W285-T302 HydrophobicContact CH2-CG2 3.79Å; W285-T302 HydrophobicContact CZ2-CG2 3.78Å |
| 286 | A | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 153.9 | 164.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | V6 V7 I27 A31 L293 H294 F295 | V6-A286 CarbonylContact C-O 3.58Å; V6-A286 WeakPolarHBondContact CA-O 3.24Å; V6-A286 WeakPolarHBondContact CG1-O 3.43Å; V7-A286 HydrophobicContact CG2-CB 3.93Å; V7-A286 PolarHBondContact N-O 3.29Å; V7-A286 PolarHBondContact O-N 3.39Å; I27-A286 HydrophobicContact CG2-CB 3.27Å; A31-A286 HydrophobicContact CB-CB 3.87Å; A286-L293 HydrophobicContact CB-CD1 4.27Å; A286-H294 CarbonylContact C-O 3.57Å; A286-H294 WeakPolarHBondContact CA-O 3.48Å; A286-H294 VanDerWaalsContact CB-O 3.24Å; A286-H294 WeakPolarHBondContact CB-O 3.29Å; A286-F295 HydrophobicContact CB-CB 4.02Å |
| 287 | A | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 135.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | V5 V6 W274 W285 L293 H294 | V5-A287 CarbonylContact O-C 3.52Å; V5-A287 VanDerWaalsContact O-CA 3.32Å; V5-A287 WeakPolarHBondContact O-CA 3.45Å; V6-A287 HydrophobicContact CB-CB 4.45Å; V6-A287 HydrophobicContact CG1-CB 4.18Å; V6-A287 HydrophobicContact CG2-CB 3.98Å; W274-A287 HydrophobicContact CD2-CB 4.07Å; W274-A287 HydrophobicContact CE3-CB 3.76Å; W274-A287 HydrophobicContact CH2-CB 3.52Å; W274-A287 HydrophobicContact CZ2-CB 3.81Å; W274-A287 HydrophobicContact CZ3-CB 3.49Å; W274-A287 VanDerWaalsContact CZ3-CB 3.49Å; W285-A287 HydrophobicContact CZ3-CB 4.11Å; A287-L293 WeakPolarHBondContact O-CA 3.37Å; A287-H294 HydrophobicContact CB-CB 4.32Å; A287-H294 PolarHBondContact N-O 3.21Å; A287-H294 PolarHBondContact O-N 2.79Å |
| 288 | A | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 120.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | I4 V5 Y35 K292 L293 L307 | I4-A288 WeakPolarHBondContact CA-O 3.45Å; V5-A288 HydrophobicContact CG1-CB 3.94Å; V5-A288 PolarHBondContact N-O 3.43Å; V5-A288 PolarHBondContact O-N 3.08Å; Y35-A288 HydrophobicContact CD1-CB 4.18Å; Y35-A288 HydrophobicContact CD2-CB 3.69Å; Y35-A288 WeakPolarHBondContact CD2-O 3.33Å; Y35-A288 HydrophobicContact CE2-CB 4.39Å; Y35-A288 WeakPolarHBondContact CE2-O 3.43Å; Y35-A288 HydrophobicContact CG-CB 3.58Å; A288-K292 WeakPolarHBondContact CA-O 3.22Å; A288-L293 HydrophobicContact CB-CD1 4.04Å; A288-L307 HydrophobicContact CB-CD1 3.66Å |
| 289 | K | 98.1 | Very high | 96.3 | Very high | 42 Ų | 42 | 29 Ų | 29 | 18% | 0.183 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 145.7 | 179.4 | -170.8 | -179.2 | 177.3 | 178.5 | 0 | 109.6 | I4 G272 G291 K292 | I4-K289 HydrophobicContact CB-CB 4.11Å; I4-K289 HydrophobicContact CB-CD 4.11Å; I4-K289 HydrophobicContact CB-CG 4.06Å; I4-K289 HydrophobicContact CD1-CB 4.08Å; I4-K289 HydrophobicContact CD1-CD 3.93Å; I4-K289 HydrophobicContact CD1-CG 4.43Å; I4-K289 HydrophobicContact CG1-CB 4.14Å; I4-K289 HydrophobicContact CG1-CD 4.47Å; G272-K289 PolarHBondContact O-NZ 3.38Å; K289-G291 PolarHBondContact O-N 3.27Å; K289-G291 VanDerWaalsContact O-N 3.09Å; K289-K292 PolarHBondContact N-O 2.73Å; K289-K292 PolarHBondContact O-N 2.56Å |
| 290 | D | 95.4 | Very high | 95.9 | Very high | 95 Ų | 95 | 35.6 Ų | 35.6 | 51% | 0.508 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 33.5 | 174.5 | -58 | -40.1 | 0 | 0 | 0 | 113.9 | N2 Y35 K292 | N2-D290 PolarHBondContact ND2-OD1 2.76Å; Y35-D290 PolarHBondContact OH-N 2.66Å; D290-K292 PolarHBondContact O-N 3.19Å |
| 291 | G | 91.4 | Very high | 95.8 | Very high | 27 Ų | 27 | 37.6 Ų | 37.6 | 28% | 0.278 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | 13.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y35 K289 L307 | Y35-G291 PolarHBondContact OH-N 3.09Å; K289-G291 PolarHBondContact O-N 3.27Å; K289-G291 VanDerWaalsContact O-N 3.09Å; G291-L307 PolarHBondContact O-N 2.83Å |
| 292 | K | 97.6 | Very high | 95.9 | Very high | 100 Ų | 100 | 38.2 Ų | 38.2 | 44% | 0.435 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 143.2 | 176.2 | -63.9 | -169.3 | 175.6 | -170.2 | 0 | 111.4 | A288 K289 D290 I304 T305 L307 | A288-K292 WeakPolarHBondContact CA-O 3.22Å; K289-K292 PolarHBondContact N-O 2.73Å; K289-K292 PolarHBondContact O-N 2.56Å; D290-K292 PolarHBondContact O-N 3.19Å; K292-I304 HydrophobicContact CB-CG2 4.2Å; K292-I304 HydrophobicContact CD-CG2 4.1Å; K292-T305 WeakPolarHBondContact CA-O 3.17Å; K292-L307 VanDerWaalsContact C-CD1 3.45Å; K292-L307 WeakPolarHBondContact O-CD1 3.5Å |
| 293 | L | 98.1 | Very high | 96 | Very high | 6 Ų | 6 | 40 Ų | 40 | 3% | 0.031 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 120 | 174.5 | -172.5 | 67.5 | 0 | 0 | 0 | 109 | V28 A31 A286 A287 A288 I304 T305 L307 | V28-L293 HydrophobicContact CB-CD2 4.14Å; V28-L293 HydrophobicContact CG1-CD2 3.63Å; V28-L293 HydrophobicContact CG2-CD2 3.84Å; A31-L293 HydrophobicContact CB-CD1 3.7Å; A286-L293 HydrophobicContact CB-CD1 4.27Å; A287-L293 WeakPolarHBondContact O-CA 3.37Å; A288-L293 HydrophobicContact CB-CD1 4.04Å; L293-I304 CarbonylContact O-C 3.23Å; L293-I304 VanDerWaalsContact O-CA 3.29Å; L293-I304 WeakPolarHBondContact O-CA 3.29Å; L293-T305 PolarHBondContact N-O 2.91Å; L293-T305 PolarHBondContact O-N 3.06Å; L293-L307 HydrophobicContact CB-CD1 3.82Å; L293-L307 HydrophobicContact CB-CG 3.98Å; L293-L307 HydrophobicContact CD1-CD1 4.36Å |
| 294 | H | 98.3 | Very high | 95.9 | Very high | 39 Ų | 39 | 44.6 Ų | 44.6 | 18% | 0.181 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 139.1 | 170.2 | -59 | -108.3 | 0 | 0 | 0 | 108.2 | W274 W285 A286 A287 A303 | W274-H294 HydrophobicContact CH2-CB 4Å; W274-H294 HydrophobicContact CZ2-CB 4.44Å; W285-H294 HydrophobicContact CH2-CB 3.87Å; W285-H294 HydrophobicContact CZ3-CB 3.75Å; A286-H294 CarbonylContact C-O 3.57Å; A286-H294 WeakPolarHBondContact CA-O 3.48Å; A286-H294 VanDerWaalsContact CB-O 3.24Å; A286-H294 WeakPolarHBondContact CB-O 3.29Å; A287-H294 HydrophobicContact CB-CB 4.32Å; A287-H294 PolarHBondContact N-O 3.21Å; A287-H294 PolarHBondContact O-N 2.79Å; H294-A303 WeakPolarHBondContact CA-O 3.38Å |
| 295 | F | 96.4 | Very high | 95.9 | Very high | 35 Ų | 35 | 47.7 Ų | 47.7 | 15% | 0.154 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 154.7 | 174.1 | 62.2 | -92.6 | 0 | 0 | 0 | 111.6 | H24 V28 W285 A286 T302 A303 T305 | H24-F295 AromaticContact CD2-CD2 3.23Å; H24-F295 WeakPolarHBondContact CD2-CD2 3.48Å; H24-F295 AromaticContact CD2-CE2 3.34Å; H24-F295 WeakPolarHBondContact CD2-CE2 3.23Å; H24-F295 AromaticContact CD2-CG 3.82Å; H24-F295 AromaticContact NE2-CD1 3.9Å; H24-F295 AromaticContact NE2-CD2 3.33Å; H24-F295 VanDerWaalsContact NE2-CD2 3.33Å; H24-F295 WeakPolarHBondContact NE2-CD2 3.42Å; H24-F295 AromaticContact NE2-CE1 3.68Å; H24-F295 AromaticContact NE2-CE2 3.05Å; H24-F295 WeakPolarHBondContact NE2-CE2 3.05Å; H24-F295 AromaticContact NE2-CG 3.73Å; H24-F295 AromaticContact NE2-CZ 3.23Å; H24-F295 WeakPolarHBondContact NE2-CZ 3.34Å; V28-F295 HydrophobicContact CG2-CD1 4.48Å; W285-F295 VanDerWaalsContact O-CA 3.29Å; W285-F295 WeakPolarHBondContact O-CA 3.06Å; A286-F295 HydrophobicContact CB-CB 4.02Å; F295-T302 WeakPolarHBondContact O-CA 3.46Å; F295-A303 HydrophobicContact CD2-CB 4.26Å; F295-A303 HydrophobicContact CE1-CB 3.87Å; F295-A303 HydrophobicContact CE2-CB 3.59Å; F295-A303 HydrophobicContact CZ-CB 3.37Å; F295-A303 PolarHBondContact N-O 3.35Å; F295-A303 PolarHBondContact O-N 2.91Å; F295-T305 HydrophobicContact CE1-CG2 3.99Å |
| 296 | G | 96.4 | Very high | 95.6 | Very high | 5 Ų | 5 | 53.1 Ų | 53.1 | 5% | 0.052 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.5 | 170 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | P284 W285 D301 | P284-G296 WeakPolarHBondContact CA-O 3.42Å; W285-G296 PolarHBondContact N-O 3.23Å; W285-G296 PolarHBondContact O-N 2.93Å; G296-D301 WeakPolarHBondContact CA-OD1 3.23Å |
| 297 | I | 95.1 | Very high | 95.1 | Very high | 13 Ų | 13 | 54.1 Ų | 54.1 | 7% | 0.067 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -134 | -49.4 | 176.9 | -62.5 | 178.7 | 0 | 0 | 0 | 110.6 | I15 K20 S282 M283 P284 D301 | I15-I297 HydrophobicContact CD1-CG2 3.61Å; K20-I297 HydrophobicContact CB-CD1 3.98Å; K20-I297 HydrophobicContact CG-CD1 4.02Å; S282-I297 WeakPolarHBondContact CA-O 3.33Å; M283-I297 PolarHBondContact N-O 2.88Å; P284-I297 HydrophobicContact CB-CG1 4.21Å; P284-I297 HydrophobicContact CG-CG1 4.41Å; P284-I297 HydrophobicContact CG-CG2 4.27Å; I297-D301 PolarHBondContact N-OD1 2.79Å; I297-D301 PolarHBondContact N-OD2 2.89Å |
| 298 | D | 94.9 | Very high | 93.6 | Very high | 41 Ų | 41 | 61.4 Ų | 61.4 | 22% | 0.219 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -104.2 | 164.3 | -179.7 | -68.9 | -23.8 | 0 | 0 | 0 | 111.2 | K20 S282 D300 D301 | K20-D298 IonicContact NZ-OD2 2.56Å; K20-D298 PolarHBondContact NZ-OD2 3.03Å; S282-D298 WeakPolarHBondContact CB-OD1 3.4Å; S282-D298 PolarHBondContact OG-OD1 3.29Å; D298-D300 PolarHBondContact O-N 2.97Å; D298-D301 HydrophobicContact CB-CB 4.46Å; D298-D301 VanDerWaalsContact N-CG 3.28Å; D298-D301 PolarHBondContact N-OD1 3.41Å; D298-D301 PolarHBondContact N-OD2 3.16Å; D298-D301 VanDerWaalsContact O-CG 3.23Å; D298-D301 PolarHBondContact O-N 2.88Å |
| 299 | P | 91.6 | Very high | 93.3 | Very high | 81 Ų | 81 | 64.5 Ų | 64.5 | 53% | 0.526 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | 138.1 | 174.5 | -25.6 | 35.8 | 0 | 0 | 0 | 111.1 | W278 D301 | W278-P299 HydrophobicContact CZ2-CG 4.08Å; P299-D301 PolarHBondContact O-N 3.29Å; P299-D301 VanDerWaalsContact O-N 3.16Å |
| 300 | D | 89.1 | Confident | 93.1 | Very high | 170 Ų | 170 | 65.6 Ų | 65.6 | 91% | 0.909 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.6 | 16.6 | 175.9 | -49.8 | -46.4 | 0 | 0 | 0 | 115.8 | D298 | D298-D300 PolarHBondContact O-N 2.97Š|
| 301 | D | 93.1 | Very high | 92.9 | Very high | 62 Ų | 62 | 64 Ų | 64 | 33% | 0.332 | 37% | 0.367 | S | S | . | . | trans | -98.2 | 13.6 | 177.2 | 83.4 | -7.9 | 0 | 0 | 0 | 114.4 | G296 I297 D298 P299 A303 | G296-D301 WeakPolarHBondContact CA-OD1 3.23Å; I297-D301 PolarHBondContact N-OD1 2.79Å; I297-D301 PolarHBondContact N-OD2 2.89Å; D298-D301 HydrophobicContact CB-CB 4.46Å; D298-D301 VanDerWaalsContact N-CG 3.28Å; D298-D301 PolarHBondContact N-OD1 3.41Å; D298-D301 PolarHBondContact N-OD2 3.16Å; D298-D301 VanDerWaalsContact O-CG 3.23Å; D298-D301 PolarHBondContact O-N 2.88Å; P299-D301 PolarHBondContact O-N 3.29Å; P299-D301 VanDerWaalsContact O-N 3.16Å; D301-A303 PolarHBondContact O-N 3.43Å | ||
| 302 | T | 95.8 | Very high | 93 | Very high | 71 Ų | 71 | 66.2 Ų | 66.2 | 44% | 0.436 | 37% | 0.373 | S | S | . | . | trans | -64 | 128 | -172.7 | -54.7 | 0 | 0 | 0 | 0 | 111.9 | W285 F295 | W285-T302 HydrophobicContact CH2-CG2 3.79Å; W285-T302 HydrophobicContact CZ2-CG2 3.78Å; F295-T302 WeakPolarHBondContact O-CA 3.46Å | ||
| 303 | A | 95.4 | Very high | 92.8 | Very high | 37 Ų | 37 | 64.1 Ų | 64.1 | 31% | 0.306 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 153.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | H294 F295 D301 | H294-A303 WeakPolarHBondContact CA-O 3.38Å; F295-A303 HydrophobicContact CD2-CB 4.26Å; F295-A303 HydrophobicContact CE1-CB 3.87Å; F295-A303 HydrophobicContact CE2-CB 3.59Å; F295-A303 HydrophobicContact CZ-CB 3.37Å; F295-A303 PolarHBondContact N-O 3.35Å; F295-A303 PolarHBondContact O-N 2.91Å; D301-A303 PolarHBondContact O-N 3.43Å |
| 304 | I | 96.3 | Very high | 92.4 | Very high | 98 Ų | 98 | 67.9 Ų | 67.9 | 50% | 0.503 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 126.3 | -179.1 | -52.5 | 176.3 | 0 | 0 | 0 | 108.3 | K292 L293 | K292-I304 HydrophobicContact CB-CG2 4.2Å; K292-I304 HydrophobicContact CD-CG2 4.1Å; L293-I304 CarbonylContact O-C 3.23Å; L293-I304 VanDerWaalsContact O-CA 3.29Å; L293-I304 WeakPolarHBondContact O-CA 3.29Å |
| 305 | T | 95.6 | Very high | 92 | Very high | 65 Ų | 65 | 70 Ų | 70 | 40% | 0.399 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 156.7 | 174.5 | 59.8 | 0 | 0 | 0 | 0 | 110.4 | K292 L293 F295 | K292-T305 WeakPolarHBondContact CA-O 3.17Å; L293-T305 PolarHBondContact N-O 2.91Å; L293-T305 PolarHBondContact O-N 3.06Å; F295-T305 HydrophobicContact CE1-CG2 3.99Å |
| 306 | D | 94.1 | Very high | 91.6 | Very high | 128 Ų | 128 | 72.7 Ų | 72.7 | 68% | 0.684 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 139.4 | 171.9 | -61.5 | -46.7 | 0 | 0 | 0 | 109.9 | ||
| 307 | L | 86.4 | Confident | 91.2 | Very high | 21 Ų | 21 | 78.3 Ų | 78.3 | 11% | 0.11 | 46% | 0.457 | C | S | . | . | trans | -82.9 | 132.2 | 168.4 | -90.5 | 133.5 | 0 | 0 | 0 | 109.1 | T32 Y35 A288 G291 K292 L293 | T32-L307 HydrophobicContact CG2-CD2 4.28Å; Y35-L307 HydrophobicContact CD1-CD1 4.01Å; Y35-L307 HydrophobicContact CD1-CD2 4.33Å; Y35-L307 HydrophobicContact CE1-CD1 4.24Å; A288-L307 HydrophobicContact CB-CD1 3.66Å; G291-L307 PolarHBondContact O-N 2.83Å; K292-L307 VanDerWaalsContact C-CD1 3.45Å; K292-L307 WeakPolarHBondContact O-CD1 3.5Å; L293-L307 HydrophobicContact CB-CD1 3.82Å; L293-L307 HydrophobicContact CB-CG 3.98Å; L293-L307 HydrophobicContact CD1-CD1 4.36Å | ||
| 308 | P | 67.8 | Low | 90.9 | Very high | 153 Ų | 153 | 84.3 Ų | 84.3 | 99% | 0.994 | 49% | 0.492 | S | S | * | . | trans | -62.7 | 0 | 171.5 | 27.7 | -33.1 | 0 | 0 | 0 | 112 | R39 | R39-P308 PolarHBondContact NH1-O 3.36Š|
Retrieved 308 of 308 residues in 158.9 ms
(Link to these results)