| 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 | 59.9 | Low | 92.3 | Very high | 168 Ų | 168 | 75.7 Ų | 75.7 | 83% | 0.828 | 38% | 0.377 | S | S | * | . | 0 | 139.3 | 0 | -93.8 | 170.2 | 177.9 | 0 | 0 | 109.1 | V6 D9 | M1-V6 HydrophobicContact CB-CG2 3.65Å; M1-V6 HydrophobicContact SD-CG2 4.33Å; M1-D9 WeakPolarHBondContact CE-OD2 3.38Å | |||
| 2 | N | 87.3 | Confident | 92.7 | Very high | 96 Ų | 96 | 72.3 Ų | 72.3 | 51% | 0.513 | 37% | 0.365 | S | S | . | . | trans | -66.1 | 161.7 | 169.3 | 64.1 | 11.1 | 0 | 0 | 0 | 110 | F4 S5 V6 | N2-F4 PolarHBondContact O-N 3.48Å; N2-S5 PolarHBondContact O-N 3.19Å; N2-S5 VanDerWaalsContact O-N 3.09Å; N2-S5 VanDerWaalsContact OD1-CB 3.3Å; N2-S5 WeakPolarHBondContact OD1-CB 3.41Å; N2-S5 PolarHBondContact OD1-N 3.43Å; N2-S5 PolarHBondContact OD1-OG 3.27Å; N2-V6 PolarHBondContact O-N 3.18Å | ||
| 3 | K | 91.5 | Very high | 93 | Very high | 201 Ų | 201 | 76.7 Ų | 76.7 | 87% | 0.874 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -53.2 | -38.7 | -177.8 | -71.8 | -176 | 178.2 | -179.8 | 0 | 112.4 | L7 | K3-L7 PolarHBondContact O-N 2.78Å |
| 4 | F | 96.4 | Very high | 93.2 | Very high | 21 Ų | 21 | 75.3 Ų | 75.3 | 9% | 0.092 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -57.8 | -51.1 | 176 | 175.9 | -92.4 | 0 | 0 | 0 | 112.5 | N2 V6 L7 Y8 M293 K398 L402 Y405 | N2-F4 PolarHBondContact O-N 3.48Å; F4-V6 VanDerWaalsContact C-N 3.34Å; F4-V6 PolarHBondContact O-N 3.19Å; F4-L7 PolarHBondContact O-N 3.3Å; F4-Y8 HydrophobicContact CZ-CD2 4.37Å; F4-Y8 WeakPolarHBondContact O-CB 3.31Å; F4-Y8 PolarHBondContact O-N 3.48Å; F4-M293 HydrophobicContact CD2-CE 3.82Å; F4-M293 HydrophobicContact CE2-CE 3.4Å; F4-M293 VanDerWaalsContact CE2-CE 3.4Å; F4-M293 HydrophobicContact CZ-CE 3.98Å; F4-K398 HydrophobicContact CE1-CG 4.24Å; F4-L402 HydrophobicContact CD1-CD1 4Å; F4-L402 HydrophobicContact CD2-CD1 4.3Å; F4-L402 HydrophobicContact CE1-CB 4.03Å; F4-L402 HydrophobicContact CE1-CD1 3.94Å; F4-L402 HydrophobicContact CE2-CB 4.32Å; F4-L402 HydrophobicContact CE2-CD1 4.23Å; F4-L402 HydrophobicContact CG-CD1 4.18Å; F4-L402 HydrophobicContact CZ-CB 3.7Å; F4-L402 HydrophobicContact CZ-CD1 4.06Å; F4-L402 HydrophobicContact CZ-CG 4.49Å; F4-Y405 AromaticContact CD2-CD1 3.59Å; F4-Y405 HydrophobicContact CD2-CD1 3.59Å; F4-Y405 HydrophobicContact CD2-CD2 4.42Å; F4-Y405 HydrophobicContact CD2-CE1 4.18Å; F4-Y405 AromaticContact CD2-CG 3.7Å; F4-Y405 HydrophobicContact CD2-CG 3.7Å; F4-Y405 HydrophobicContact CE2-CD1 4.06Å; F4-Y405 HydrophobicContact CE2-CD2 4.05Å; F4-Y405 AromaticContact CE2-CG 3.69Å; F4-Y405 HydrophobicContact CE2-CG 3.69Å |
| 5 | S | 96.2 | Very high | 93.5 | Very high | 17 Ų | 17 | 70.3 Ų | 70.3 | 12% | 0.119 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.7 | -40.3 | -175.8 | -58.6 | 0 | 0 | 0 | 0 | 112.1 | N2 Y8 D9 | N2-S5 PolarHBondContact O-N 3.19Å; N2-S5 VanDerWaalsContact O-N 3.09Å; N2-S5 VanDerWaalsContact OD1-CB 3.3Å; N2-S5 WeakPolarHBondContact OD1-CB 3.41Å; N2-S5 PolarHBondContact OD1-N 3.43Å; N2-S5 PolarHBondContact OD1-OG 3.27Å; S5-Y8 PolarHBondContact O-N 2.56Å; S5-D9 VanDerWaalsContact O-CG 3.25Å; S5-D9 PolarHBondContact O-N 3.32Å |
| 6 | V | 96.4 | Very high | 93.6 | Very high | 85 Ų | 85 | 70 Ų | 70 | 52% | 0.515 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.1 | -42.9 | 177.4 | -179.9 | 0 | 0 | 0 | 0 | 111.1 | M1 N2 F4 H10 | M1-V6 HydrophobicContact CB-CG2 3.65Å; M1-V6 HydrophobicContact SD-CG2 4.33Å; N2-V6 PolarHBondContact O-N 3.18Å; F4-V6 VanDerWaalsContact C-N 3.34Å; F4-V6 PolarHBondContact O-N 3.19Å; V6-H10 PolarHBondContact O-N 2.71Å |
| 7 | L | 97.3 | Very high | 93.6 | Very high | 51 Ų | 51 | 74.6 Ų | 74.6 | 27% | 0.267 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.9 | -44.9 | 177.1 | 178.5 | 60.3 | 0 | 0 | 0 | 111.5 | K3 F4 H10 V11 M293 K296 Y405 | K3-L7 PolarHBondContact O-N 2.78Å; F4-L7 PolarHBondContact O-N 3.3Å; L7-H10 PolarHBondContact O-N 3.36Å; L7-V11 HydrophobicContact CD1-CG2 4.39Å; L7-V11 WeakPolarHBondContact O-CG2 3.24Å; L7-V11 PolarHBondContact O-N 3.38Å; L7-M293 HydrophobicContact CD2-CE 4.32Å; L7-M293 HydrophobicContact CD2-SD 4.47Å; L7-M293 HydrophobicContact CG-CE 4.32Å; L7-M293 HydrophobicContact CG-SD 4.07Å; L7-K296 HydrophobicContact CD1-CB 4.28Å; L7-K296 HydrophobicContact CD1-CG 4.17Å; L7-K296 HydrophobicContact CD2-CB 3.98Å; L7-Y405 HydrophobicContact CD2-CE1 4.01Å; L7-Y405 WeakPolarHBondContact CD2-OH 3.19Å |
| 8 | Y | 98.2 | Very high | 93.6 | Very high | 22 Ų | 22 | 72.1 Ų | 72.1 | 9% | 0.086 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -58.5 | -48.9 | 178.7 | -179.6 | -94.9 | 0 | 0 | 0 | 111.6 | F4 S5 H10 V11 C12 I289 M293 K398 | F4-Y8 HydrophobicContact CZ-CD2 4.37Å; F4-Y8 WeakPolarHBondContact O-CB 3.31Å; F4-Y8 PolarHBondContact O-N 3.48Å; S5-Y8 PolarHBondContact O-N 2.56Å; Y8-H10 VanDerWaalsContact C-N 3.29Å; Y8-H10 PolarHBondContact O-N 3.21Å; Y8-V11 PolarHBondContact O-N 3.37Å; Y8-V11 VanDerWaalsContact O-N 3.11Å; Y8-C12 WeakPolarHBondContact CE1-SG 3.41Å; Y8-C12 PolarHBondContact O-N 3.47Å; Y8-C12 PolarHBondContact O-SG 3.43Å; Y8-C12 VanDerWaalsContact O-SG 3.38Å; Y8-I289 HydrophobicContact CD2-CG2 4.47Å; Y8-I289 HydrophobicContact CE2-CG2 3.79Å; Y8-M293 HydrophobicContact CD2-CE 4.24Å; Y8-M293 HydrophobicContact CD2-CG 4.42Å; Y8-M293 HydrophobicContact CD2-SD 4.22Å; Y8-K398 HydrophobicContact CD1-CD 4.34Å; Y8-K398 HydrophobicContact CD1-CG 4.16Å; Y8-K398 HydrophobicContact CD2-CG 4.38Å; Y8-K398 HydrophobicContact CE1-CB 3.88Å; Y8-K398 HydrophobicContact CE1-CD 4.08Å; Y8-K398 HydrophobicContact CE1-CG 3.88Å; Y8-K398 VanDerWaalsContact CE2-CA 3.43Å; Y8-K398 HydrophobicContact CE2-CB 3.87Å; Y8-K398 HydrophobicContact CE2-CG 4.13Å; Y8-K398 HydrophobicContact CG-CG 4.39Å; Y8-K398 VanDerWaalsContact CZ-CB 3.47Å; Y8-K398 WeakPolarHBondContact OH-CA 3.15Å; Y8-K398 WeakPolarHBondContact OH-CB 3.34Å; Y8-K398 PolarHBondContact OH-N 3.36Å; Y8-K398 VanDerWaalsContact OH-N 3.14Å |
| 9 | D | 97.4 | Very high | 93.6 | Very high | 61 Ų | 61 | 69.7 Ų | 69.7 | 33% | 0.326 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.9 | -40 | 178.9 | -68.9 | -15.1 | 0 | 0 | 0 | 111.8 | M1 S5 C12 Q13 | M1-D9 WeakPolarHBondContact CE-OD2 3.38Å; S5-D9 VanDerWaalsContact O-CG 3.25Å; S5-D9 PolarHBondContact O-N 3.32Å; D9-C12 PolarHBondContact O-N 2.69Å; D9-Q13 WeakPolarHBondContact O-CG 3.14Å; D9-Q13 PolarHBondContact O-N 3.01Å |
| 10 | H | 96.9 | Very high | 93.6 | Very high | 106 Ų | 106 | 73.2 Ų | 73.2 | 49% | 0.491 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.8 | -42.8 | 175.2 | -178 | 73.2 | 0 | 0 | 0 | 112.3 | V6 L7 Y8 Q13 R14 | V6-H10 PolarHBondContact O-N 2.71Å; L7-H10 PolarHBondContact O-N 3.36Å; Y8-H10 VanDerWaalsContact C-N 3.29Å; Y8-H10 PolarHBondContact O-N 3.21Å; H10-Q13 PolarHBondContact O-N 3.48Å; H10-R14 PolarHBondContact O-N 2.69Å |
| 11 | V | 97.7 | Very high | 93.5 | Very high | 5 Ų | 5 | 76.8 Ų | 76.8 | 3% | 0.03 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -62.6 | -44.9 | 176.3 | 165.3 | 0 | 0 | 0 | 0 | 111 | L7 Y8 Q13 R14 A15 I289 M292 M293 | L7-V11 HydrophobicContact CD1-CG2 4.39Å; L7-V11 WeakPolarHBondContact O-CG2 3.24Å; L7-V11 PolarHBondContact O-N 3.38Å; Y8-V11 PolarHBondContact O-N 3.37Å; Y8-V11 VanDerWaalsContact O-N 3.11Å; V11-Q13 VanDerWaalsContact C-N 3.32Å; V11-Q13 PolarHBondContact O-N 3.34Å; V11-R14 PolarHBondContact O-N 2.86Å; V11-R14 VanDerWaalsContact O-N 3.1Å; V11-A15 WeakPolarHBondContact O-CB 3.3Å; V11-A15 PolarHBondContact O-N 3.38Å; V11-I289 HydrophobicContact CG1-CG2 4.21Å; V11-M292 HydrophobicContact CG1-CB 3.48Å; V11-M292 VanDerWaalsContact CG1-CB 3.48Å; V11-M292 HydrophobicContact CG1-CG 4.41Å; V11-M292 HydrophobicContact CG1-SD 4.13Å; V11-M292 HydrophobicContact CG2-CB 4.27Å; V11-M293 HydrophobicContact CB-CG 4.41Å; V11-M293 HydrophobicContact CB-SD 3.92Å; V11-M293 HydrophobicContact CG1-CG 4.07Å; V11-M293 HydrophobicContact CG1-SD 4.25Å; V11-M293 HydrophobicContact CG2-CG 4.41Å; V11-M293 HydrophobicContact CG2-SD 3.71Å |
| 12 | C | 97.5 | Very high | 95.1 | Very high | 35 Ų | 35 | 69.8 Ų | 69.8 | 24% | 0.236 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.3 | -42.3 | 178.1 | -71.3 | 0 | 0 | 0 | 0 | 112.6 | Y8 D9 R14 A15 S16 | Y8-C12 WeakPolarHBondContact CE1-SG 3.41Å; Y8-C12 PolarHBondContact O-N 3.47Å; Y8-C12 PolarHBondContact O-SG 3.43Å; Y8-C12 VanDerWaalsContact O-SG 3.38Å; D9-C12 PolarHBondContact O-N 2.69Å; C12-R14 VanDerWaalsContact C-N 3.33Å; C12-R14 PolarHBondContact O-N 3.15Å; C12-A15 PolarHBondContact O-N 3.24Å; C12-S16 WeakPolarHBondContact O-CB 3.46Å; C12-S16 PolarHBondContact O-N 3.16Å |
| 13 | Q | 96.2 | Very high | 95.5 | Very high | 129 Ų | 129 | 67.8 Ų | 67.8 | 60% | 0.603 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -64.3 | -36.7 | 176.4 | -70.2 | 174.9 | 6.1 | 0 | 0 | 112.7 | D9 H10 V11 R17 | D9-Q13 WeakPolarHBondContact O-CG 3.14Å; D9-Q13 PolarHBondContact O-N 3.01Å; H10-Q13 PolarHBondContact O-N 3.48Å; V11-Q13 VanDerWaalsContact C-N 3.32Å; V11-Q13 PolarHBondContact O-N 3.34Å; Q13-R17 PolarHBondContact O-NE 3.46Å |
| 14 | R | 96 | Very high | 95.6 | Very high | 57 Ų | 57 | 62.8 Ų | 62.8 | 22% | 0.215 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -71.7 | -48.1 | 175.9 | -170.5 | 179.7 | -178 | -178.4 | 2.5 | 111.3 | H10 V11 C12 S16 R17 S18 M292 E309 | H10-R14 PolarHBondContact O-N 2.69Å; V11-R14 PolarHBondContact O-N 2.86Å; V11-R14 VanDerWaalsContact O-N 3.1Å; C12-R14 VanDerWaalsContact C-N 3.33Å; C12-R14 PolarHBondContact O-N 3.15Å; R14-S16 VanDerWaalsContact C-N 3.32Å; R14-S16 PolarHBondContact O-N 3.39Å; R14-R17 PolarHBondContact O-N 3.47Å; R14-R17 VanDerWaalsContact O-N 3.16Å; R14-S18 PolarHBondContact O-N 3.1Å; R14-S18 VanDerWaalsContact O-N 3.13Å; R14-S18 PolarHBondContact O-OG 3.13Å; R14-M292 HydrophobicContact CB-SD 4.31Å; R14-M292 HydrophobicContact CG-CE 3.96Å; R14-M292 HydrophobicContact CG-SD 4.27Å; R14-E309 IonicContact CZ-OE1 3.68Å; R14-E309 IonicContact NE-OE1 2.65Å; R14-E309 IonicContact NH2-OE1 2.81Å; R14-E309 PolarHBondContact NH2-OE1 2.98Å; R14-E309 IonicContact NH2-OE2 3.64Å; R14-E309 PolarHBondContact NH2-OE2 3.25Å |
| 15 | A | 97.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -57.1 | -45.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | V11 C12 R17 S18 L19 L288 I289 M292 | V11-A15 WeakPolarHBondContact O-CB 3.3Å; V11-A15 PolarHBondContact O-N 3.38Å; C12-A15 PolarHBondContact O-N 3.24Å; A15-R17 VanDerWaalsContact C-N 3.27Å; A15-R17 PolarHBondContact O-N 2.81Å; A15-S18 PolarHBondContact O-N 3.35Å; A15-S18 VanDerWaalsContact O-N 3.15Å; A15-L19 WeakPolarHBondContact O-CB 3.48Å; A15-L19 WeakPolarHBondContact O-CG 3.19Å; A15-L19 PolarHBondContact O-N 2.88Å; A15-L288 HydrophobicContact CB-CD2 4.09Å; A15-L288 HydrophobicContact CB-CG 4.26Å; A15-I289 HydrophobicContact CB-CG1 3.72Å; A15-M292 HydrophobicContact CB-SD 4.01Å |
| 16 | S | 95.1 | Very high | 95.5 | Very high | 66 Ų | 66 | 64.7 Ų | 64.7 | 46% | 0.462 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -54.8 | -41.2 | 177.9 | 178.2 | 0 | 0 | 0 | 0 | 112.9 | C12 R14 M20 | C12-S16 WeakPolarHBondContact O-CB 3.46Å; C12-S16 PolarHBondContact O-N 3.16Å; R14-S16 VanDerWaalsContact C-N 3.32Å; R14-S16 PolarHBondContact O-N 3.39Å; S16-M20 WeakPolarHBondContact O-CG 3.47Å; S16-M20 PolarHBondContact O-N 2.95Å |
| 17 | R | 94.2 | Very high | 95.5 | Very high | 149 Ų | 149 | 68.4 Ų | 68.4 | 56% | 0.562 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -67.2 | -49.2 | 175.8 | -70 | -176.8 | -72.4 | 166.9 | 0.1 | 112 | Q13 R14 A15 L19 M20 E21 | Q13-R17 PolarHBondContact O-NE 3.46Å; R14-R17 PolarHBondContact O-N 3.47Å; R14-R17 VanDerWaalsContact O-N 3.16Å; A15-R17 VanDerWaalsContact C-N 3.27Å; A15-R17 PolarHBondContact O-N 2.81Å; R17-L19 VanDerWaalsContact C-N 3.29Å; R17-L19 PolarHBondContact O-N 3.11Å; R17-M20 HydrophobicContact CG-CE 4.39Å; R17-M20 PolarHBondContact O-N 3.38Å; R17-E21 PolarHBondContact O-N 3.27Å |
| 18 | S | 93.3 | Very high | 95.5 | Very high | 29 Ų | 29 | 68.1 Ų | 68.1 | 20% | 0.203 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.8 | -36.4 | 179.3 | -59.9 | 0 | 0 | 0 | 0 | 112.8 | R14 A15 E21 A22 | R14-S18 PolarHBondContact O-N 3.1Å; R14-S18 VanDerWaalsContact O-N 3.13Å; R14-S18 PolarHBondContact O-OG 3.13Å; A15-S18 PolarHBondContact O-N 3.35Å; A15-S18 VanDerWaalsContact O-N 3.15Å; S18-E21 PolarHBondContact O-N 2.98Å; S18-A22 VanDerWaalsContact O-CB 3.28Å; S18-A22 WeakPolarHBondContact O-CB 3.39Å; S18-A22 PolarHBondContact O-N 3.39Å |
| 19 | L | 94.6 | Very high | 95.5 | Very high | 27 Ų | 27 | 67.1 Ų | 67.1 | 14% | 0.141 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65.9 | -39.4 | 178.5 | -69.5 | 168.5 | 0 | 0 | 0 | 112.3 | A15 R17 E21 A22 L23 M284 Q285 L288 | A15-L19 WeakPolarHBondContact O-CB 3.48Å; A15-L19 WeakPolarHBondContact O-CG 3.19Å; A15-L19 PolarHBondContact O-N 2.88Å; R17-L19 VanDerWaalsContact C-N 3.29Å; R17-L19 PolarHBondContact O-N 3.11Å; L19-E21 VanDerWaalsContact C-N 3.26Å; L19-E21 PolarHBondContact O-N 3.38Å; L19-A22 PolarHBondContact O-N 2.95Å; L19-L23 VanDerWaalsContact O-CB 3.31Å; L19-L23 WeakPolarHBondContact O-CB 3.34Å; L19-L23 PolarHBondContact O-N 3.31Å; L19-M284 HydrophobicContact CD2-CB 4.48Å; L19-M284 HydrophobicContact CD2-CE 3.68Å; L19-M284 HydrophobicContact CD2-CG 3.62Å; L19-M284 HydrophobicContact CD2-SD 4.13Å; L19-Q285 HydrophobicContact CD1-CB 3.88Å; L19-Q285 HydrophobicContact CD1-CG 3.93Å; L19-L288 HydrophobicContact CD2-CB 4.44Å; L19-L288 HydrophobicContact CD2-CD2 3.84Å; L19-L288 HydrophobicContact CG-CD2 3.89Å |
| 20 | M | 92.1 | Very high | 95.5 | Very high | 139 Ų | 139 | 67 Ų | 67 | 69% | 0.685 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -63.2 | -32.8 | 177.7 | -72.6 | -173.1 | -69.8 | 0 | 0 | 112.6 | S16 R17 | S16-M20 WeakPolarHBondContact O-CG 3.47Å; S16-M20 PolarHBondContact O-N 2.95Å; R17-M20 HydrophobicContact CG-CE 4.39Å; R17-M20 PolarHBondContact O-N 3.38Å |
| 21 | E | 91.7 | Very high | 95.5 | Very high | 149 Ų | 149 | 66.2 Ų | 66.2 | 70% | 0.696 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -82.7 | -34.1 | 179 | -66.1 | 174.9 | -178.7 | 0 | 0 | 112.6 | R17 S18 L19 K24 | R17-E21 PolarHBondContact O-N 3.27Å; S18-E21 PolarHBondContact O-N 2.98Å; L19-E21 VanDerWaalsContact C-N 3.26Å; L19-E21 PolarHBondContact O-N 3.38Å; E21-K24 VanDerWaalsContact O-CE 3.24Å; E21-K24 WeakPolarHBondContact O-CE 3.34Å |
| 22 | A | 93.9 | Very high | 95.5 | Very high | 20 Ų | 20 | 67.9 Ų | 67.9 | 17% | 0.165 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -82.9 | -35.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | S18 L19 K24 M284 R322 F324 | S18-A22 VanDerWaalsContact O-CB 3.28Å; S18-A22 WeakPolarHBondContact O-CB 3.39Å; S18-A22 PolarHBondContact O-N 3.39Å; L19-A22 PolarHBondContact O-N 2.95Å; A22-K24 PolarHBondContact O-N 2.83Å; A22-M284 HydrophobicContact CB-CE 3.53Å; A22-R322 CarbonylContact O-C 3.56Å; A22-F324 HydrophobicContact CB-CD2 4.38Å; A22-F324 HydrophobicContact CB-CE2 3.43Å; A22-F324 VanDerWaalsContact CB-CE2 3.43Å; A22-F324 HydrophobicContact CB-CZ 3.73Å |
| 23 | L | 95.2 | Very high | 95.6 | Very high | 55 Ų | 55 | 66.2 Ų | 66.2 | 29% | 0.288 | 35% | 0.349 | S | S | . | . | trans | -75.7 | 116 | -175.9 | 179 | 60.5 | 0 | 0 | 0 | 111 | L19 F208 K281 M284 | L19-L23 VanDerWaalsContact O-CB 3.31Å; L19-L23 WeakPolarHBondContact O-CB 3.34Å; L19-L23 PolarHBondContact O-N 3.31Å; L23-F208 HydrophobicContact CD1-CE1 3.76Å; L23-K281 HydrophobicContact CD2-CD 4.5Å; L23-K281 HydrophobicContact CD2-CG 4.29Å; L23-M284 HydrophobicContact CB-CE 3.99Å; L23-M284 HydrophobicContact CB-SD 4.21Å; L23-M284 HydrophobicContact CD1-SD 4.13Å | ||
| 24 | K | 95.1 | Very high | 95.6 | Very high | 95 Ų | 95 | 63.3 Ų | 63.3 | 41% | 0.413 | 34% | 0.34 | S | S | . | . | trans | -137.1 | 66.2 | -176.7 | -63.1 | 173.9 | -170.3 | 172.4 | 0 | 110.5 | E21 A22 R322 | E21-K24 VanDerWaalsContact O-CE 3.24Å; E21-K24 WeakPolarHBondContact O-CE 3.34Å; A22-K24 PolarHBondContact O-N 2.83Å; K24-R322 HydrophobicContact CB-CB 4.38Å; K24-R322 PolarHBondContact N-O 3.37Å; K24-R322 WeakPolarHBondContact O-CB 3.24Å; K24-R322 WeakPolarHBondContact O-CD 3.36Å; K24-R322 VanDerWaalsContact O-CG 3.31Å; K24-R322 WeakPolarHBondContact O-CG 3.28Å | ||
| 25 | P | 93 | Very high | 95.6 | Very high | 58 Ų | 58 | 66.9 Ų | 66.9 | 38% | 0.377 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -59 | 146.2 | -171.5 | 27.6 | -35.5 | 0 | 0 | 0 | 111.3 | I29 | P25-I29 HydrophobicContact CB-CG2 4.23Š|
| 26 | F | 97.5 | Very high | 95.6 | Very high | 21 Ų | 21 | 67.3 Ų | 67.3 | 9% | 0.092 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 145.8 | 172.4 | -57.9 | -80.5 | 0 | 0 | 0 | 110.6 | G28 I29 R210 R322 | F26-G28 PolarHBondContact O-N 3.37Å; F26-I29 HydrophobicContact CB-CB 4.15Å; F26-I29 HydrophobicContact CB-CD1 4.22Å; F26-I29 HydrophobicContact CB-CG2 4.39Å; F26-I29 HydrophobicContact CD2-CD1 3.72Å; F26-I29 HydrophobicContact CG-CD1 4.42Å; F26-I29 WeakPolarHBondContact O-CB 3.39Å; F26-I29 WeakPolarHBondContact O-CG2 3.37Å; F26-I29 PolarHBondContact O-N 2.89Å; F26-R210 HydrophobicContact CD2-CG 4.27Å; F26-R210 HydrophobicContact CE1-CB 4.1Å; F26-R210 HydrophobicContact CE1-CG 3.99Å; F26-R210 HydrophobicContact CE2-CB 4.39Å; F26-R210 HydrophobicContact CE2-CG 3.7Å; F26-R210 HydrophobicContact CZ-CB 3.76Å; F26-R210 HydrophobicContact CZ-CG 3.55Å; F26-R322 HydrophobicContact CD1-CG 4.48Å; F26-R322 HydrophobicContact CD2-CG 4.49Å; F26-R322 HydrophobicContact CE1-CG 3.89Å; F26-R322 HydrophobicContact CE2-CB 4.37Å; F26-R322 HydrophobicContact CE2-CG 3.9Å; F26-R322 HydrophobicContact CZ-CB 4.46Å; F26-R322 HydrophobicContact CZ-CG 3.55Å |
| 27 | D | 96.3 | Very high | 95.6 | Very high | 163 Ų | 163 | 65.1 Ų | 65.1 | 87% | 0.872 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 129.7 | -177.6 | -69.5 | -20.6 | 0 | 0 | 0 | 111.8 | I29 | D27-I29 PolarHBondContact O-N 3.09Å; D27-I29 VanDerWaalsContact O-N 3.08Å |
| 28 | G | 96.5 | Very high | 95.7 | Very high | 44 Ų | 44 | 59.3 Ų | 59.3 | 45% | 0.454 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.7 | 0.6 | 177 | 0 | 0 | 0 | 0 | 0 | 116 | F26 D30 T31 V32 | F26-G28 PolarHBondContact O-N 3.37Å; G28-D30 VanDerWaalsContact C-N 3.26Å; G28-D30 PolarHBondContact O-N 3.18Å; G28-T31 WeakPolarHBondContact O-CA 3.48Å; G28-T31 WeakPolarHBondContact O-CB 3.42Å; G28-T31 PolarHBondContact O-N 2.88Å; G28-V32 PolarHBondContact O-N 3.26Å |
| 29 | I | 97.7 | Very high | 95.8 | Very high | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.01 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.3 | -34.6 | -171.8 | -166.1 | 166.8 | 0 | 0 | 0 | 113.4 | P25 F26 D27 T31 V32 A33 L90 S206 Y207 | P25-I29 HydrophobicContact CB-CG2 4.23Å; F26-I29 HydrophobicContact CB-CB 4.15Å; F26-I29 HydrophobicContact CB-CD1 4.22Å; F26-I29 HydrophobicContact CB-CG2 4.39Å; F26-I29 HydrophobicContact CD2-CD1 3.72Å; F26-I29 HydrophobicContact CG-CD1 4.42Å; F26-I29 WeakPolarHBondContact O-CB 3.39Å; F26-I29 WeakPolarHBondContact O-CG2 3.37Å; F26-I29 PolarHBondContact O-N 2.89Å; D27-I29 PolarHBondContact O-N 3.09Å; D27-I29 VanDerWaalsContact O-N 3.08Å; I29-T31 VanDerWaalsContact C-N 3.28Å; I29-T31 PolarHBondContact O-N 2.74Å; I29-V32 PolarHBondContact O-N 2.92Å; I29-A33 WeakPolarHBondContact O-CB 3.17Å; I29-A33 PolarHBondContact O-N 3.47Å; I29-L90 HydrophobicContact CD1-CD2 4.45Å; I29-L90 HydrophobicContact CG1-CD2 3.85Å; I29-S206 WeakPolarHBondContact CD1-O 3.2Å; I29-Y207 HydrophobicContact CD1-CD2 3.93Å; I29-Y207 HydrophobicContact CD1-CE2 4.49Å; I29-Y207 HydrophobicContact CG1-CD2 4.17Å; I29-Y207 HydrophobicContact CG1-CE2 4.41Å; I29-Y207 HydrophobicContact CG2-CD2 4.11Å; I29-Y207 HydrophobicContact CG2-CE2 3.58Å |
| 30 | D | 97.8 | Very high | 95.8 | Very high | 58 Ų | 58 | 61.3 Ų | 61.3 | 31% | 0.31 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.6 | -36.5 | 175.9 | -67.1 | 17.5 | 0 | 0 | 0 | 111.1 | G28 T34 Y207 P277 K281 | G28-D30 VanDerWaalsContact C-N 3.26Å; G28-D30 PolarHBondContact O-N 3.18Å; D30-T34 PolarHBondContact O-N 3.03Å; D30-T34 PolarHBondContact O-OG1 3.31Å; D30-Y207 WeakPolarHBondContact OD1-CE2 3.27Å; D30-Y207 PolarHBondContact OD1-OH 3.06Å; D30-P277 HydrophobicContact CB-CB 4.35Å; D30-P277 HydrophobicContact CB-CG 4.27Å; D30-K281 IonicContact OD2-NZ 3.77Å; D30-K281 PolarHBondContact OD2-NZ 3.43Å |
| 31 | T | 97.9 | Very high | 96 | Very high | 89 Ų | 89 | 58.6 Ų | 58.6 | 55% | 0.546 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -73.1 | -41.1 | 176.1 | -57 | 0 | 0 | 0 | 0 | 111 | G28 I29 A33 T34 H35 | G28-T31 WeakPolarHBondContact O-CA 3.48Å; G28-T31 WeakPolarHBondContact O-CB 3.42Å; G28-T31 PolarHBondContact O-N 2.88Å; I29-T31 VanDerWaalsContact C-N 3.28Å; I29-T31 PolarHBondContact O-N 2.74Å; T31-A33 PolarHBondContact O-N 3.1Å; T31-T34 PolarHBondContact O-N 3.01Å; T31-T34 VanDerWaalsContact O-N 3.14Å; T31-H35 PolarHBondContact O-N 2.96Å |
| 32 | V | 97.8 | Very high | 96 | Very high | 40 Ų | 40 | 60 Ų | 60 | 24% | 0.242 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.2 | -42.4 | 175.1 | 176.3 | 0 | 0 | 0 | 0 | 111.1 | G28 I29 T34 G36 S89 L90 | G28-V32 PolarHBondContact O-N 3.26Å; I29-V32 PolarHBondContact O-N 2.92Å; V32-T34 PolarHBondContact O-N 3.44Å; V32-G36 WeakPolarHBondContact O-CA 3.3Å; V32-G36 PolarHBondContact O-N 3.24Å; V32-S89 VanDerWaalsContact CG1-CB 3.44Å; V32-L90 HydrophobicContact CB-CD2 4.31Å; V32-L90 HydrophobicContact CG1-CD2 3.91Å; V32-L90 HydrophobicContact CG1-CG 4.1Å |
| 33 | A | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.8 | -36.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I29 T31 L90 R274 P277 | I29-A33 WeakPolarHBondContact O-CB 3.17Å; I29-A33 PolarHBondContact O-N 3.47Å; T31-A33 PolarHBondContact O-N 3.1Å; A33-L90 HydrophobicContact CB-CD2 4.06Å; A33-R274 WeakPolarHBondContact O-CD 3.34Å; A33-R274 PolarHBondContact O-NH1 3.14Å; A33-P277 HydrophobicContact CB-CG 3.58Å |
| 34 | T | 96.9 | Very high | 96 | Very high | 68 Ų | 68 | 63.8 Ų | 63.8 | 42% | 0.417 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -77.4 | -45 | -177.3 | -56.4 | 0 | 0 | 0 | 0 | 113 | D30 T31 V32 R274 | D30-T34 PolarHBondContact O-N 3.03Å; D30-T34 PolarHBondContact O-OG1 3.31Å; T31-T34 PolarHBondContact O-N 3.01Å; T31-T34 VanDerWaalsContact O-N 3.14Å; V32-T34 PolarHBondContact O-N 3.44Å; T34-R274 WeakPolarHBondContact O-CD 3.2Å; T34-R274 PolarHBondContact O-NE 3.03Å |
| 35 | H | 96.7 | Very high | 96 | Very high | 132 Ų | 132 | 67.3 Ų | 67.3 | 61% | 0.611 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -113.5 | -12.9 | -170.8 | -66 | -77.7 | 0 | 0 | 0 | 114.4 | T31 | T31-H35 PolarHBondContact O-N 2.96Å |
| 36 | G | 95.8 | Very high | 96 | Very high | 10 Ų | 10 | 69.2 Ų | 69.2 | 10% | 0.103 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 142.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | V32 Y38 C86 R274 | V32-G36 WeakPolarHBondContact O-CA 3.3Å; V32-G36 PolarHBondContact O-N 3.24Å; G36-Y38 VanDerWaalsContact C-N 3.31Å; G36-Y38 PolarHBondContact O-N 3.05Å; G36-C86 WeakPolarHBondContact O-CB 3.34Å; G36-R274 PolarHBondContact O-NH1 3.38Å; G36-R274 PolarHBondContact O-NH2 2.78Å |
| 37 | G | 95.8 | Very high | 96 | Very high | 20 Ų | 20 | 71.2 Ų | 71.2 | 21% | 0.206 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.1 | -11 | 172.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | C82 | G37-C82 WeakPolarHBondContact CA-O 3.37Å; G37-C82 WeakPolarHBondContact O-CA 3.31Å |
| 38 | Y | 95.6 | Very high | 96 | Very high | 27 Ų | 27 | 69.2 Ų | 69.2 | 11% | 0.106 | 38% | 0.381 | C | S | . | . | trans | -150.3 | 137.2 | -177.6 | 174.1 | -112.5 | 0 | 0 | 0 | 112.2 | G36 P40 L43 P49 P52 F78 | G36-Y38 VanDerWaalsContact C-N 3.31Å; G36-Y38 PolarHBondContact O-N 3.05Å; Y38-P40 HydrophobicContact CD1-CG 4.5Å; Y38-P40 HydrophobicContact CE1-CB 4.4Å; Y38-P40 HydrophobicContact CE1-CG 3.82Å; Y38-L43 HydrophobicContact CE2-CD1 3.77Å; Y38-L43 HydrophobicContact CE2-CG 4.18Å; Y38-P49 VanDerWaalsContact CE1-O 3.24Å; Y38-P49 WeakPolarHBondContact CE1-O 3.49Å; Y38-P49 VanDerWaalsContact CZ-O 3.31Å; Y38-P49 PolarHBondContact OH-O 2.79Å; Y38-P52 HydrophobicContact CD1-CB 3.94Å; Y38-P52 HydrophobicContact CD1-CG 4.05Å; Y38-P52 HydrophobicContact CD2-CB 3.84Å; Y38-P52 HydrophobicContact CE1-CB 4.1Å; Y38-P52 HydrophobicContact CE2-CB 4.05Å; Y38-P52 HydrophobicContact CG-CB 3.77Å; Y38-P52 HydrophobicContact CG-CG 4.08Å; Y38-F78 HydrophobicContact CD2-CE1 4.44Å; Y38-F78 AromaticContact CD2-CZ 3.78Å; Y38-F78 HydrophobicContact CD2-CZ 3.78Å; Y38-F78 HydrophobicContact CE2-CE1 4.33Å; Y38-F78 AromaticContact CE2-CZ 3.74Å; Y38-F78 HydrophobicContact CE2-CZ 3.74Å | ||
| 39 | D | 95.4 | Very high | 96 | Very high | 64 Ų | 64 | 69 Ų | 69 | 34% | 0.342 | 37% | 0.371 | S | S | . | . | trans | -127.9 | 122.6 | 169.8 | -170.9 | -26 | 0 | 0 | 0 | 109 | V41 Y42 | D39-V41 HydrophobicContact CB-CG2 4.25Å; D39-V41 VanDerWaalsContact CG-CG2 3.44Å; D39-V41 PolarHBondContact O-N 2.87Å; D39-V41 VanDerWaalsContact O-N 3.11Å; D39-V41 WeakPolarHBondContact OD1-CG1 3.39Å; D39-V41 VanDerWaalsContact OD1-CG2 3.28Å; D39-V41 WeakPolarHBondContact OD1-CG2 3.3Å; D39-V41 PolarHBondContact OD1-N 3.13Å; D39-Y42 HydrophobicContact CB-CD2 3.6Å; D39-Y42 HydrophobicContact CB-CE2 3.49Å; D39-Y42 VanDerWaalsContact CB-CE2 3.49Å; D39-Y42 PolarHBondContact O-N 3.2Å; D39-Y42 VanDerWaalsContact O-N 3.14Å | ||
| 40 | P | 95.6 | Very high | 96 | Very high | 34 Ų | 34 | 74.9 Ų | 74.9 | 22% | 0.221 | 41% | 0.407 | C | S | . | . | G | 310 helix | trans | -54 | -27.6 | 178.8 | -27 | 34.8 | 0 | 0 | 0 | 114.9 | Y38 Y42 L43 R48 | Y38-P40 HydrophobicContact CD1-CG 4.5Å; Y38-P40 HydrophobicContact CE1-CB 4.4Å; Y38-P40 HydrophobicContact CE1-CG 3.82Å; P40-Y42 PolarHBondContact O-N 3.19Å; P40-Y42 VanDerWaalsContact O-N 3.14Å; P40-L43 PolarHBondContact O-N 3.29Å; P40-L43 VanDerWaalsContact O-N 3.16Å; P40-R48 HydrophobicContact CB-CB 4.13Å; P40-R48 WeakPolarHBondContact O-CA 3.45Å; P40-R48 VanDerWaalsContact O-CB 3.27Å; P40-R48 WeakPolarHBondContact O-CB 3.41Å; P40-R48 WeakPolarHBondContact O-CG 3.39Å |
| 41 | V | 95.7 | Very high | 95.9 | Very high | 81 Ų | 81 | 76.4 Ų | 76.4 | 49% | 0.491 | 42% | 0.419 | S | S | . | . | G | 310 helix | trans | -61.8 | -22.6 | -179.6 | -56.5 | 0 | 0 | 0 | 0 | 113 | D39 L43 | D39-V41 HydrophobicContact CB-CG2 4.25Å; D39-V41 VanDerWaalsContact CG-CG2 3.44Å; D39-V41 PolarHBondContact O-N 2.87Å; D39-V41 VanDerWaalsContact O-N 3.11Å; D39-V41 WeakPolarHBondContact OD1-CG1 3.39Å; D39-V41 VanDerWaalsContact OD1-CG2 3.28Å; D39-V41 WeakPolarHBondContact OD1-CG2 3.3Å; D39-V41 PolarHBondContact OD1-N 3.13Å; V41-L43 VanDerWaalsContact C-N 3.31Å; V41-L43 PolarHBondContact O-N 3.34Å |
| 42 | Y | 91.9 | Very high | 95.9 | Very high | 178 Ų | 178 | 72.8 Ų | 72.8 | 70% | 0.698 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -80.1 | -5.1 | 179.7 | -60.4 | -48.3 | 0 | 0 | 0 | 114.6 | D39 P40 | D39-Y42 HydrophobicContact CB-CD2 3.6Å; D39-Y42 HydrophobicContact CB-CE2 3.49Å; D39-Y42 VanDerWaalsContact CB-CE2 3.49Å; D39-Y42 PolarHBondContact O-N 3.2Å; D39-Y42 VanDerWaalsContact O-N 3.14Å; P40-Y42 PolarHBondContact O-N 3.19Å; P40-Y42 VanDerWaalsContact O-N 3.14Å |
| 43 | L | 93.9 | Very high | 95.8 | Very high | 31 Ų | 31 | 73.2 Ų | 73.2 | 16% | 0.162 | 40% | 0.4 | C | S | . | . | trans | -123.3 | 53.6 | -178.8 | -71.9 | -171 | 0 | 0 | 0 | 111.6 | Y38 P40 V41 E45 V46 R48 P49 P53 F78 | Y38-L43 HydrophobicContact CE2-CD1 3.77Å; Y38-L43 HydrophobicContact CE2-CG 4.18Å; P40-L43 PolarHBondContact O-N 3.29Å; P40-L43 VanDerWaalsContact O-N 3.16Å; V41-L43 VanDerWaalsContact C-N 3.31Å; V41-L43 PolarHBondContact O-N 3.34Å; L43-E45 VanDerWaalsContact C-N 3.3Å; L43-E45 PolarHBondContact O-N 3.18Å; L43-V46 HydrophobicContact CB-CG2 3.79Å; L43-V46 HydrophobicContact CD1-CG2 4.24Å; L43-V46 HydrophobicContact CG-CG2 4.5Å; L43-V46 PolarHBondContact O-N 3.1Å; L43-R48 WeakPolarHBondContact O-CA 3.48Å; L43-R48 PolarHBondContact O-N 3.14Å; L43-P49 HydrophobicContact CD1-CG 4.42Å; L43-P53 HydrophobicContact CD1-CG 3.75Å; L43-F78 HydrophobicContact CD1-CE1 3.82Å; L43-F78 HydrophobicContact CD1-CE2 4.4Å; L43-F78 HydrophobicContact CD1-CZ 3.6Å; L43-F78 HydrophobicContact CD2-CE2 4.37Å; L43-F78 HydrophobicContact CD2-CZ 4.35Å; L43-F78 HydrophobicContact CG-CZ 4.15Å | ||
| 44 | E | 95.8 | Very high | 95.8 | Very high | 124 Ų | 124 | 76.2 Ų | 76.2 | 58% | 0.579 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -60.7 | -38.5 | -179.8 | -178.2 | 164.2 | 171.1 | 0 | 0 | 112.7 | V46 G47 R48 | E44-V46 PolarHBondContact O-N 3.43Å; E44-V46 VanDerWaalsContact O-N 3.12Å; E44-G47 PolarHBondContact O-N 3.39Å; E44-R48 IonicContact OE1-NH2 3.79Å; E44-R48 IonicContact OE2-CZ 3.6Å; E44-R48 IonicContact OE2-NH2 2.71Å; E44-R48 PolarHBondContact OE2-NH2 3.07Å |
| 45 | E | 93.8 | Very high | 95.8 | Very high | 170 Ų | 170 | 74.6 Ų | 74.6 | 79% | 0.794 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -65.5 | -19.7 | -174.6 | -55.9 | 86.5 | 171.4 | 0 | 0 | 113.5 | L43 | L43-E45 VanDerWaalsContact C-N 3.3Å; L43-E45 PolarHBondContact O-N 3.18Å |
| 46 | V | 94.2 | Very high | 95.9 | Very high | 97 Ų | 97 | 73.7 Ų | 73.7 | 59% | 0.588 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -112 | 17.4 | 175.9 | -61.3 | 0 | 0 | 0 | 0 | 112.8 | L43 E44 P49 | L43-V46 HydrophobicContact CB-CG2 3.79Å; L43-V46 HydrophobicContact CD1-CG2 4.24Å; L43-V46 HydrophobicContact CG-CG2 4.5Å; L43-V46 PolarHBondContact O-N 3.1Å; E44-V46 PolarHBondContact O-N 3.43Å; E44-V46 VanDerWaalsContact O-N 3.12Å; V46-P49 HydrophobicContact CG2-CG 4.15Å |
| 47 | G | 96.7 | Very high | 96 | Very high | 64 Ų | 64 | 76 Ų | 76 | 66% | 0.66 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.6 | 22.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | E44 | E44-G47 PolarHBondContact O-N 3.39Š|
| 48 | R | 96.4 | Very high | 96.1 | Very high | 120 Ų | 120 | 78.4 Ų | 78.4 | 45% | 0.453 | 43% | 0.433 | S | S | . | . | trans | 53.4 | 58.7 | 175.4 | -54.8 | -177.7 | 179.8 | 153.9 | 1.7 | 113.1 | P40 L43 E44 V50 | P40-R48 HydrophobicContact CB-CB 4.13Å; P40-R48 WeakPolarHBondContact O-CA 3.45Å; P40-R48 VanDerWaalsContact O-CB 3.27Å; P40-R48 WeakPolarHBondContact O-CB 3.41Å; P40-R48 WeakPolarHBondContact O-CG 3.39Å; L43-R48 WeakPolarHBondContact O-CA 3.48Å; L43-R48 PolarHBondContact O-N 3.14Å; E44-R48 IonicContact OE1-NH2 3.79Å; E44-R48 IonicContact OE2-CZ 3.6Å; E44-R48 IonicContact OE2-NH2 2.71Å; E44-R48 PolarHBondContact OE2-NH2 3.07Å; R48-V50 PolarHBondContact O-N 2.8Å | ||
| 49 | P | 97.2 | Very high | 96.3 | Very high | 40 Ų | 40 | 81.2 Ų | 81.2 | 26% | 0.26 | 45% | 0.453 | S | S | . | . | trans | -62.3 | 132.3 | -177.5 | 27.4 | -34.5 | 0 | 0 | 0 | 110.3 | Y38 L43 V46 V51 | Y38-P49 VanDerWaalsContact CE1-O 3.24Å; Y38-P49 WeakPolarHBondContact CE1-O 3.49Å; Y38-P49 VanDerWaalsContact CZ-O 3.31Å; Y38-P49 PolarHBondContact OH-O 2.79Å; L43-P49 HydrophobicContact CD1-CG 4.42Å; V46-P49 HydrophobicContact CG2-CG 4.15Å; P49-V51 PolarHBondContact O-N 2.97Å | ||
| 50 | V | 96.7 | Very high | 96.4 | Very high | 125 Ų | 125 | 80.2 Ų | 80.2 | 76% | 0.758 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -63.3 | -30.9 | -177.7 | 175.7 | 0 | 0 | 0 | 0 | 112.2 | R48 | R48-V50 PolarHBondContact O-N 2.8Š|
| 51 | V | 97.1 | Very high | 96.4 | Very high | 91 Ų | 91 | 87.7 Ų | 87.7 | 55% | 0.552 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -103.2 | 133.6 | 173.7 | 178.5 | 0 | 0 | 0 | 0 | 108.2 | P49 F267 | P49-V51 PolarHBondContact O-N 2.97Å; V51-F267 HydrophobicContact CG1-CE2 3.76Å |
| 52 | P | 96.5 | Very high | 96.5 | Very high | 12 Ų | 12 | 87.7 Ų | 87.7 | 8% | 0.078 | 47% | 0.472 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 136.7 | -178.4 | 23.6 | -31.5 | 0 | 0 | 0 | 110.9 | Y38 F78 L270 | Y38-P52 HydrophobicContact CD1-CB 3.94Å; Y38-P52 HydrophobicContact CD1-CG 4.05Å; Y38-P52 HydrophobicContact CD2-CB 3.84Å; Y38-P52 HydrophobicContact CE1-CB 4.1Å; Y38-P52 HydrophobicContact CE2-CB 4.05Å; Y38-P52 HydrophobicContact CG-CB 3.77Å; Y38-P52 HydrophobicContact CG-CG 4.08Å; P52-F78 HydrophobicContact CB-CE1 3.9Å; P52-L270 HydrophobicContact CG-CD2 3.68Å |
| 53 | P | 96.8 | Very high | 96.7 | Very high | 49 Ų | 49 | 86.8 Ų | 86.8 | 32% | 0.318 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 151.6 | 177.3 | 24.7 | -35.4 | 0 | 0 | 0 | 112.6 | L43 T55 F78 S79 | L43-P53 HydrophobicContact CD1-CG 3.75Å; P53-T55 PolarHBondContact O-N 3.22Å; P53-F78 HydrophobicContact CG-CD1 4.23Å; P53-F78 HydrophobicContact CG-CE1 3.98Å; P53-S79 PolarHBondContact O-OG 3.27Å; P53-S79 VanDerWaalsContact O-OG 3.08Å |
| 54 | I | 97.7 | Very high | 96.9 | Very high | 64 Ų | 64 | 87.8 Ų | 87.8 | 33% | 0.328 | 49% | 0.488 | S | S | . | . | trans | -85.2 | 111.3 | 173.1 | -46.9 | 179.5 | 0 | 0 | 0 | 108.5 | L56 S79 F264 F267 | I54-L56 HydrophobicContact CG2-CD2 3.67Å; I54-L56 HydrophobicContact CG2-CG 3.99Å; I54-S79 WeakPolarHBondContact CA-OG 3.45Å; I54-F264 HydrophobicContact CD1-CD2 4.07Å; I54-F264 HydrophobicContact CD1-CE2 4.28Å; I54-F267 HydrophobicContact CD1-CB 4.14Å; I54-F267 HydrophobicContact CD1-CD1 3.52Å; I54-F267 HydrophobicContact CD1-CD2 4Å; I54-F267 HydrophobicContact CD1-CE1 3.86Å; I54-F267 HydrophobicContact CD1-CE2 4.29Å; I54-F267 HydrophobicContact CD1-CG 3.6Å; I54-F267 HydrophobicContact CD1-CZ 4.23Å; I54-F267 HydrophobicContact CG1-CB 3.93Å; I54-F267 HydrophobicContact CG1-CD1 4.11Å; I54-F267 HydrophobicContact CG1-CD2 3.69Å; I54-F267 HydrophobicContact CG1-CE2 4.2Å; I54-F267 HydrophobicContact CG1-CG 3.63Å | ||
| 55 | T | 97.2 | Very high | 96.9 | Very high | 33 Ų | 33 | 87.9 Ų | 87.9 | 20% | 0.202 | 50% | 0.499 | C | S | . | . | trans | -98.2 | 93.6 | 179.6 | -57.4 | 0 | 0 | 0 | 0 | 110.1 | P53 F60 S79 P263 | P53-T55 PolarHBondContact O-N 3.22Å; T55-F60 HydrophobicContact CG2-CE1 3.53Å; T55-F60 HydrophobicContact CG2-CZ 3.84Å; T55-S79 PolarHBondContact N-OG 2.91Å; T55-P263 WeakPolarHBondContact O-CB 3.41Å | ||
| 56 | L | 98.2 | Very high | 96.8 | Very high | 114 Ų | 114 | 83.1 Ų | 83.1 | 60% | 0.597 | 50% | 0.496 | S | S | * | . | trans | -85.6 | -10.9 | -179.2 | -60.6 | 178.7 | 0 | 0 | 0 | 113.9 | I54 S58 P263 F264 | I54-L56 HydrophobicContact CG2-CD2 3.67Å; I54-L56 HydrophobicContact CG2-CG 3.99Å; L56-S58 PolarHBondContact O-N 2.89Å; L56-P263 HydrophobicContact CD2-CB 4.3Å; L56-F264 HydrophobicContact CD2-CB 4.2Å | ||
| 57 | S | 98.3 | Very high | 96.9 | Very high | 59 Ų | 59 | 83 Ų | 83 | 41% | 0.413 | 49% | 0.491 | S | S | . | . | trans | -57.1 | 132 | -177.2 | -164.6 | 0 | 0 | 0 | 0 | 110.7 | T59 F60 S73 | S57-T59 PolarHBondContact OG-O 3.4Å; S57-F60 WeakPolarHBondContact O-CZ 3.12Å; S57-S73 WeakPolarHBondContact O-CB 3.31Å | ||
| 58 | S | 98.1 | Very high | 96.8 | Very high | 70 Ų | 70 | 81.9 Ų | 81.9 | 49% | 0.49 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -77.5 | -30 | 177.5 | 58.1 | 0 | 0 | 0 | 0 | 112.2 | L56 Y72 S73 | L56-S58 PolarHBondContact O-N 2.89Å; S58-Y72 CarbonylContact O-C 3.58Å; S58-Y72 WeakPolarHBondContact O-CA 3.28Å; S58-Y72 WeakPolarHBondContact O-CD2 3.5Å; S58-S73 PolarHBondContact O-N 3.36Å |
| 59 | T | 98.1 | Very high | 96.7 | Very high | 86 Ų | 86 | 83.1 Ų | 83.1 | 53% | 0.528 | 48% | 0.484 | S | S | . | . | B | Isolated β-bridge | trans | -131.7 | 157.6 | -178.2 | -169.4 | 0 | 0 | 0 | 0 | 110.6 | S57 D71 | S57-T59 PolarHBondContact OG-O 3.4Å; T59-D71 WeakPolarHBondContact CA-O 3.45Å; T59-D71 PolarHBondContact OG1-O 3.44Å |
| 60 | F | 97.6 | Very high | 96.7 | Very high | 43 Ų | 43 | 82.6 Ų | 82.6 | 19% | 0.189 | 48% | 0.478 | C | S | . | . | trans | -132.9 | 141.6 | -175.8 | -58.1 | -84.9 | 0 | 0 | 0 | 110 | T55 S57 Q62 Y70 D71 N77 | T55-F60 HydrophobicContact CG2-CE1 3.53Å; T55-F60 HydrophobicContact CG2-CZ 3.84Å; S57-F60 WeakPolarHBondContact O-CZ 3.12Å; F60-Q62 PolarHBondContact O-N 3.21Å; F60-Y70 WeakPolarHBondContact CB-O 3.27Å; F60-Y70 VanDerWaalsContact CD2-CB 3.45Å; F60-Y70 HydrophobicContact CE2-CG 4.48Å; F60-D71 PolarHBondContact N-O 3.01Å; F60-D71 VanDerWaalsContact N-O 3.13Å; F60-N77 HydrophobicContact CZ-CB 4.23Å | ||
| 61 | Q | 97 | Very high | 96.6 | Very high | 191 Ų | 191 | 80.1 Ų | 80.1 | 89% | 0.893 | 46% | 0.46 | S | S | * | . | trans | -64 | 127.9 | 176.4 | -177.4 | 175.1 | 7.3 | 0 | 0 | 110.1 | ||||
| 62 | Q | 97.4 | Very high | 96.7 | Very high | 80 Ų | 80 | 80.7 Ų | 80.7 | 37% | 0.374 | 45% | 0.453 | S | S | . | . | trans | -86.3 | 146.5 | 173.1 | -49.1 | -169.9 | 2.7 | 0 | 0 | 109.8 | F60 S64 A68 | F60-Q62 PolarHBondContact O-N 3.21Å; Q62-S64 VanDerWaalsContact C-N 3.3Å; Q62-S64 WeakPolarHBondContact CB-O 3.34Å; Q62-S64 PolarHBondContact OE1-O 3.45Å; Q62-A68 HydrophobicContact CB-CB 4.17Å; Q62-A68 HydrophobicContact CG-CB 3.95Å | ||
| 63 | L | 96.1 | Very high | 96.7 | Very high | 160 Ų | 160 | 80.9 Ų | 80.9 | 84% | 0.838 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -68.9 | -34.6 | 175.9 | -64.4 | 177.1 | 0 | 0 | 0 | 111.2 | I67 | L63-I67 HydrophobicContact CB-CG2 4.35Å; L63-I67 HydrophobicContact CD1-CG2 4.46Å; L63-I67 PolarHBondContact N-O 3.07Å |
| 64 | S | 97.1 | Very high | 96.8 | Very high | 51 Ų | 51 | 82.4 Ų | 82.4 | 36% | 0.357 | 45% | 0.454 | S | S | . | . | B | Isolated β-bridge | trans | -156.4 | 167.9 | 168.4 | 65.3 | 0 | 0 | 0 | 0 | 108 | Q62 G66 I67 | Q62-S64 VanDerWaalsContact C-N 3.3Å; Q62-S64 WeakPolarHBondContact CB-O 3.34Å; Q62-S64 PolarHBondContact OE1-O 3.45Å; S64-G66 PolarHBondContact O-N 3.44Å; S64-G66 VanDerWaalsContact O-N 3.1Å; S64-I67 PolarHBondContact O-N 2.72Å; S64-I67 WeakPolarHBondContact OG-CD1 3.18Å; S64-I67 VanDerWaalsContact OG-CG1 3.31Å; S64-I67 WeakPolarHBondContact OG-CG1 3.26Å |
| 65 | P | 95.8 | Very high | 96.7 | Very high | 126 Ų | 126 | 81 Ų | 81 | 82% | 0.818 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | 121.1 | 178.5 | -27.4 | 35.7 | 0 | 0 | 0 | 112.2 | ||
| 66 | G | 93.5 | Very high | 96.7 | Very high | 71 Ų | 71 | 80.1 Ų | 80.1 | 73% | 0.732 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.2 | 2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116 | S64 | S64-G66 PolarHBondContact O-N 3.44Å; S64-G66 VanDerWaalsContact O-N 3.1Å |
| 67 | I | 96.2 | Very high | 96.7 | Very high | 94 Ų | 94 | 74.8 Ų | 74.8 | 48% | 0.482 | 42% | 0.42 | S | S | . | . | B | Isolated β-bridge | trans | -117.8 | 98.9 | -177.8 | -51.7 | -168.9 | 0 | 0 | 0 | 110.5 | L63 S64 | L63-I67 HydrophobicContact CB-CG2 4.35Å; L63-I67 HydrophobicContact CD1-CG2 4.46Å; L63-I67 PolarHBondContact N-O 3.07Å; S64-I67 PolarHBondContact O-N 2.72Å; S64-I67 WeakPolarHBondContact OG-CD1 3.18Å; S64-I67 VanDerWaalsContact OG-CG1 3.31Å; S64-I67 WeakPolarHBondContact OG-CG1 3.26Å |
| 68 | A | 94.6 | Very high | 96.6 | Very high | 41 Ų | 41 | 73.2 Ų | 73.2 | 34% | 0.339 | 41% | 0.405 | S | S | . | . | trans | -154.5 | 155.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q62 Y70 | Q62-A68 HydrophobicContact CB-CB 4.17Å; Q62-A68 HydrophobicContact CG-CB 3.95Å; A68-Y70 WeakPolarHBondContact CB-O 3.29Å | ||
| 69 | K | 94.2 | Very high | 96.6 | Very high | 145 Ų | 145 | 70.2 Ų | 70.2 | 63% | 0.63 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -70.4 | -49 | 169.3 | 179 | 179.1 | 178.4 | -179.4 | 0 | 110.9 | E81 | K69-E81 IonicContact NZ-OE1 3.61Å; K69-E81 IonicContact NZ-OE2 2.78Å |
| 70 | Y | 96.3 | Very high | 96.6 | Very high | 30 Ų | 30 | 66.2 Ų | 66.2 | 12% | 0.118 | 36% | 0.359 | C | S | . | . | trans | -122.6 | 143.5 | 168.6 | -49.7 | -66.3 | 0 | 0 | 0 | 107.1 | F60 A68 F78 E81 | F60-Y70 WeakPolarHBondContact CB-O 3.27Å; F60-Y70 VanDerWaalsContact CD2-CB 3.45Å; F60-Y70 HydrophobicContact CE2-CG 4.48Å; A68-Y70 WeakPolarHBondContact CB-O 3.29Å; Y70-F78 HydrophobicContact CE2-CB 3.84Å; Y70-F78 VanDerWaalsContact OH-CA 3.28Å; Y70-F78 WeakPolarHBondContact OH-CA 3.44Å; Y70-E81 VanDerWaalsContact OH-CD 3.3Å; Y70-E81 PolarHBondContact OH-OE2 3.27Å | ||
| 71 | D | 95.8 | Very high | 96.6 | Very high | 73 Ų | 73 | 66.2 Ų | 66.2 | 39% | 0.39 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -115 | -44.8 | 176.7 | 61.3 | -23.3 | 0 | 0 | 0 | 110.6 | T59 F60 | T59-D71 WeakPolarHBondContact CA-O 3.45Å; T59-D71 PolarHBondContact OG1-O 3.44Å; F60-D71 PolarHBondContact N-O 3.01Å; F60-D71 VanDerWaalsContact N-O 3.13Å |
| 72 | Y | 97.5 | Very high | 96.7 | Very high | 102 Ų | 102 | 57.2 Ų | 57.2 | 40% | 0.4 | 32% | 0.318 | S | S | . | . | B | Isolated β-bridge | trans | -145.7 | 130.6 | -176.6 | -170.1 | -115.4 | 0 | 0 | 0 | 110.9 | S58 R74 S75 G76 | S58-Y72 CarbonylContact O-C 3.58Å; S58-Y72 WeakPolarHBondContact O-CA 3.28Å; S58-Y72 WeakPolarHBondContact O-CD2 3.5Å; Y72-R74 HydrophobicContact CD1-CB 3.69Å; Y72-R74 HydrophobicContact CE1-CB 3.61Å; Y72-R74 PolarHBondContact O-N 2.75Å; Y72-R74 VanDerWaalsContact O-N 3.07Å; Y72-S75 WeakPolarHBondContact O-CA 3.37Å; Y72-S75 VanDerWaalsContact O-CB 3.28Å; Y72-S75 WeakPolarHBondContact O-CB 3.36Å; Y72-S75 PolarHBondContact O-N 2.69Å; Y72-G76 PolarHBondContact O-N 2.72Å; Y72-G76 VanDerWaalsContact O-N 3.14Å |
| 73 | S | 97.8 | Very high | 96.8 | Very high | 16 Ų | 16 | 53.4 Ų | 53.4 | 11% | 0.112 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -28.2 | -168.4 | -172.3 | 0 | 0 | 0 | 0 | 114.6 | S57 S58 G76 N77 R80 | S57-S73 WeakPolarHBondContact O-CB 3.31Å; S58-S73 PolarHBondContact O-N 3.36Å; S73-G76 WeakPolarHBondContact CA-O 3.32Å; S73-G76 PolarHBondContact O-N 3.46Å; S73-N77 PolarHBondContact O-ND2 2.78Å; S73-N77 PolarHBondContact OG-ND2 2.87Å; S73-R80 PolarHBondContact O-NH1 3.14Å |
| 74 | R | 97.7 | Very high | 96.9 | Very high | 82 Ų | 82 | 46.2 Ų | 46.2 | 31% | 0.309 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -45 | 171.9 | 176.5 | 173.4 | 49.9 | 75.1 | 6 | 111.2 | Y72 R80 Y255 V260 | Y72-R74 HydrophobicContact CD1-CB 3.69Å; Y72-R74 HydrophobicContact CE1-CB 3.61Å; Y72-R74 PolarHBondContact O-N 2.75Å; Y72-R74 VanDerWaalsContact O-N 3.07Å; R74-R80 PolarHBondContact O-NH1 2.91Å; R74-R80 PolarHBondContact O-NH2 2.98Å; R74-Y255 VanDerWaalsContact NH1-CE2 3.32Å; R74-Y255 PolarHBondContact NH1-O 3.29Å; R74-V260 HydrophobicContact CB-CG2 4.45Å; R74-V260 HydrophobicContact CG-CG2 4.16Å |
| 75 | S | 96.2 | Very high | 96.9 | Very high | 35 Ų | 35 | 48.6 Ų | 48.6 | 25% | 0.245 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -42.2 | 177.8 | -44.9 | 0 | 0 | 0 | 0 | 111.8 | Y72 R80 Y255 | Y72-S75 WeakPolarHBondContact O-CA 3.37Å; Y72-S75 VanDerWaalsContact O-CB 3.28Å; Y72-S75 WeakPolarHBondContact O-CB 3.36Å; Y72-S75 PolarHBondContact O-N 2.69Å; S75-R80 VanDerWaalsContact C-NH2 3.27Å; S75-R80 PolarHBondContact O-NH2 2.92Å; S75-Y255 VanDerWaalsContact OG-CD2 3.27Å; S75-Y255 WeakPolarHBondContact OG-CD2 3.46Å; S75-Y255 VanDerWaalsContact OG-CE2 3.23Å; S75-Y255 WeakPolarHBondContact OG-CE2 3.5Å |
| 76 | G | 96.8 | Very high | 97 | Very high | 14 Ų | 14 | 42.6 Ų | 42.6 | 14% | 0.144 | 23% | 0.227 | C | C | . | . | trans | -176.5 | 147.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y72 S73 | Y72-G76 PolarHBondContact O-N 2.72Å; Y72-G76 VanDerWaalsContact O-N 3.14Å; S73-G76 WeakPolarHBondContact CA-O 3.32Å; S73-G76 PolarHBondContact O-N 3.46Å | ||
| 77 | N | 97.7 | Very high | 97.3 | Very high | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.011 | 19% | 0.192 | C | C | . | . | trans | -152.1 | 158.8 | 172 | 65.9 | 80.3 | 0 | 0 | 0 | 110 | F60 S73 S79 R80 E81 | F60-N77 HydrophobicContact CZ-CB 4.23Å; S73-N77 PolarHBondContact O-ND2 2.78Å; S73-N77 PolarHBondContact OG-ND2 2.87Å; N77-S79 PolarHBondContact O-N 2.75Å; N77-S79 PolarHBondContact OD1-N 2.94Å; N77-R80 PolarHBondContact O-N 3.42Å; N77-R80 WeakPolarHBondContact OD1-CB 3.29Å; N77-R80 PolarHBondContact OD1-N 2.85Å; N77-E81 PolarHBondContact O-N 3.13Å | ||
| 78 | F | 97.3 | Very high | 97.4 | Very high | 26 Ų | 26 | 35 Ų | 35 | 11% | 0.114 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.9 | -42.9 | -172.5 | -177.9 | -99.6 | 0 | 0 | 0 | 114.3 | Y38 L43 P52 P53 Y70 R80 E81 C82 | Y38-F78 HydrophobicContact CD2-CE1 4.44Å; Y38-F78 AromaticContact CD2-CZ 3.78Å; Y38-F78 HydrophobicContact CD2-CZ 3.78Å; Y38-F78 HydrophobicContact CE2-CE1 4.33Å; Y38-F78 AromaticContact CE2-CZ 3.74Å; Y38-F78 HydrophobicContact CE2-CZ 3.74Å; L43-F78 HydrophobicContact CD1-CE1 3.82Å; L43-F78 HydrophobicContact CD1-CE2 4.4Å; L43-F78 HydrophobicContact CD1-CZ 3.6Å; L43-F78 HydrophobicContact CD2-CE2 4.37Å; L43-F78 HydrophobicContact CD2-CZ 4.35Å; L43-F78 HydrophobicContact CG-CZ 4.15Å; P52-F78 HydrophobicContact CB-CE1 3.9Å; P53-F78 HydrophobicContact CG-CD1 4.23Å; P53-F78 HydrophobicContact CG-CE1 3.98Å; Y70-F78 HydrophobicContact CE2-CB 3.84Å; Y70-F78 VanDerWaalsContact OH-CA 3.28Å; Y70-F78 WeakPolarHBondContact OH-CA 3.44Å; F78-R80 VanDerWaalsContact C-N 3.34Å; F78-R80 PolarHBondContact O-N 3.19Å; F78-E81 PolarHBondContact O-N 3.1Å; F78-C82 VanDerWaalsContact CE1-SG 3.56Å; F78-C82 VanDerWaalsContact CZ-SG 3.51Å; F78-C82 PolarHBondContact O-N 2.68Å; F78-C82 PolarHBondContact O-SG 3.38Å |
| 79 | S | 98 | Very high | 97.5 | Very high | 6 Ų | 6 | 35.6 Ų | 35.6 | 4% | 0.042 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.8 | -38.4 | -179.4 | -53.7 | 0 | 0 | 0 | 0 | 111.9 | P53 I54 T55 N77 L83 | P53-S79 PolarHBondContact O-OG 3.27Å; P53-S79 VanDerWaalsContact O-OG 3.08Å; I54-S79 WeakPolarHBondContact CA-OG 3.45Å; T55-S79 PolarHBondContact N-OG 2.91Å; N77-S79 PolarHBondContact O-N 2.75Å; N77-S79 PolarHBondContact OD1-N 2.94Å; S79-L83 PolarHBondContact O-N 3.02Å |
| 80 | R | 98.5 | Very high | 97.7 | Very high | 3 Ų | 3 | 28.7 Ų | 28.7 | 1% | 0.011 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66.8 | -44.3 | 174 | -166.9 | 174.8 | 77.9 | -159.4 | 7.3 | 112 | S73 R74 S75 N77 F78 C82 L83 E84 V98 | S73-R80 PolarHBondContact O-NH1 3.14Å; R74-R80 PolarHBondContact O-NH1 2.91Å; R74-R80 PolarHBondContact O-NH2 2.98Å; S75-R80 VanDerWaalsContact C-NH2 3.27Å; S75-R80 PolarHBondContact O-NH2 2.92Å; N77-R80 PolarHBondContact O-N 3.42Å; N77-R80 WeakPolarHBondContact OD1-CB 3.29Å; N77-R80 PolarHBondContact OD1-N 2.85Å; F78-R80 VanDerWaalsContact C-N 3.34Å; F78-R80 PolarHBondContact O-N 3.19Å; R80-C82 VanDerWaalsContact C-N 3.3Å; R80-C82 PolarHBondContact O-N 3.06Å; R80-L83 PolarHBondContact O-N 3.39Å; R80-L83 VanDerWaalsContact O-N 3.16Å; R80-E84 HydrophobicContact CG-CG 4.31Å; R80-E84 IonicContact NE-OE1 3.51Å; R80-E84 WeakPolarHBondContact O-CG 3.31Å; R80-E84 PolarHBondContact O-N 3.35Å; R80-V98 HydrophobicContact CG-CG2 3.32Å |
| 81 | E | 97.8 | Very high | 97.8 | Very high | 42 Ų | 42 | 27.3 Ų | 27.3 | 20% | 0.196 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -57.7 | -42.4 | 177.4 | -175.8 | -175.4 | 122.6 | 0 | 0 | 111.5 | K69 Y70 N77 F78 L83 E84 K85 | K69-E81 IonicContact NZ-OE1 3.61Å; K69-E81 IonicContact NZ-OE2 2.78Å; Y70-E81 VanDerWaalsContact OH-CD 3.3Å; Y70-E81 PolarHBondContact OH-OE2 3.27Å; N77-E81 PolarHBondContact O-N 3.13Å; F78-E81 PolarHBondContact O-N 3.1Å; E81-L83 VanDerWaalsContact C-N 3.34Å; E81-L83 PolarHBondContact O-N 3.14Å; E81-E84 PolarHBondContact O-N 2.9Å; E81-K85 HydrophobicContact CG-CD 4.05Å; E81-K85 HydrophobicContact CG-CG 4.47Å; E81-K85 WeakPolarHBondContact O-CB 3.36Å; E81-K85 WeakPolarHBondContact O-CG 3.42Å; E81-K85 PolarHBondContact O-N 3.46Å; E81-K85 WeakPolarHBondContact OE1-CE 3.43Å; E81-K85 IonicContact OE1-NZ 3.25Å; E81-K85 PolarHBondContact OE1-NZ 3.28Å |
| 82 | C | 98.3 | Very high | 97.8 | Very high | 3 Ų | 3 | 27.9 Ų | 27.9 | 2% | 0.02 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.1 | -43.8 | 177.3 | -66.6 | 0 | 0 | 0 | 0 | 112 | G37 F78 R80 C86 L270 | G37-C82 WeakPolarHBondContact CA-O 3.37Å; G37-C82 WeakPolarHBondContact O-CA 3.31Å; F78-C82 VanDerWaalsContact CE1-SG 3.56Å; F78-C82 VanDerWaalsContact CZ-SG 3.51Å; F78-C82 PolarHBondContact O-N 2.68Å; F78-C82 PolarHBondContact O-SG 3.38Å; R80-C82 VanDerWaalsContact C-N 3.3Å; R80-C82 PolarHBondContact O-N 3.06Å; C82-C86 WeakPolarHBondContact O-CB 3.35Å; C82-C86 PolarHBondContact O-N 3.41Å; C82-L270 HydrophobicContact CB-CD2 3.81Å |
| 83 | L | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -66.3 | -48.9 | 177.6 | 177.8 | 62.6 | 0 | 0 | 0 | 111.9 | S79 R80 E81 K85 C86 I87 V98 L223 M235 C266 C269 L270 L273 | S79-L83 PolarHBondContact O-N 3.02Å; R80-L83 PolarHBondContact O-N 3.39Å; R80-L83 VanDerWaalsContact O-N 3.16Å; E81-L83 VanDerWaalsContact C-N 3.34Å; E81-L83 PolarHBondContact O-N 3.14Å; L83-K85 VanDerWaalsContact C-N 3.34Å; L83-K85 PolarHBondContact O-N 3.31Å; L83-C86 WeakPolarHBondContact O-CB 3.2Å; L83-C86 PolarHBondContact O-N 2.91Å; L83-C86 VanDerWaalsContact O-N 3.13Å; L83-I87 HydrophobicContact CD1-CD1 3.69Å; L83-I87 HydrophobicContact CD1-CG1 4.01Å; L83-I87 HydrophobicContact CD2-CD1 4.38Å; L83-I87 HydrophobicContact CG-CD1 3.77Å; L83-I87 HydrophobicContact CG-CG1 4.42Å; L83-I87 WeakPolarHBondContact O-CG1 3.32Å; L83-I87 PolarHBondContact O-N 3.48Å; L83-V98 HydrophobicContact CD2-CG1 4.12Å; L83-V98 HydrophobicContact CD2-CG2 4.5Å; L83-V98 HydrophobicContact CG-CG1 4.31Å; L83-L223 HydrophobicContact CD2-CD1 4.43Å; L83-M235 HydrophobicContact CD2-CE 3.42Å; L83-M235 VanDerWaalsContact CD2-CE 3.42Å; L83-M235 HydrophobicContact CD2-SD 4.49Å; L83-C266 HydrophobicContact CB-CB 4.38Å; L83-C266 HydrophobicContact CD2-CB 4.06Å; L83-C269 HydrophobicContact CD1-CB 4.18Å; L83-C269 HydrophobicContact CD2-CB 3.91Å; L83-L270 HydrophobicContact CD1-CB 4.13Å; L83-L270 HydrophobicContact CD1-CD1 4.28Å; L83-L273 HydrophobicContact CD1-CD1 3.53Å |
| 84 | E | 98.5 | Very high | 97.6 | Very high | 8 Ų | 8 | 29.4 Ų | 29.4 | 4% | 0.037 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -55.7 | -48.3 | 179.8 | -75.1 | 176.4 | 166.3 | 0 | 0 | 111.1 | R80 E81 C86 I87 A88 C96 V98 R251 Q254 | R80-E84 HydrophobicContact CG-CG 4.31Å; R80-E84 IonicContact NE-OE1 3.51Å; R80-E84 WeakPolarHBondContact O-CG 3.31Å; R80-E84 PolarHBondContact O-N 3.35Å; E81-E84 PolarHBondContact O-N 2.9Å; E84-C86 VanDerWaalsContact C-N 3.33Å; E84-C86 PolarHBondContact O-N 3.39Å; E84-I87 PolarHBondContact O-N 3.31Å; E84-A88 WeakPolarHBondContact O-CB 3.43Å; E84-A88 PolarHBondContact O-N 2.98Å; E84-C96 HydrophobicContact CB-CB 4.22Å; E84-C96 VanDerWaalsContact CB-O 3.32Å; E84-C96 WeakPolarHBondContact CB-O 3.46Å; E84-C96 WeakPolarHBondContact CG-O 3.39Å; E84-C96 VanDerWaalsContact O-CB 3.25Å; E84-C96 WeakPolarHBondContact O-CB 3.28Å; E84-V98 HydrophobicContact CG-CB 4.33Å; E84-V98 HydrophobicContact CG-CG1 3.92Å; E84-V98 HydrophobicContact CG-CG2 3.78Å; E84-V98 PolarHBondContact OE1-N 3.12Å; E84-R251 IonicContact OE1-NH1 3.79Å; E84-R251 PolarHBondContact OE1-NH1 3.41Å; E84-R251 IonicContact OE2-CZ 2.66Å; E84-R251 IonicContact OE2-NH1 3.72Å; E84-R251 PolarHBondContact OE2-NH1 2.9Å; E84-R251 IonicContact OE2-NH2 3.03Å; E84-R251 PolarHBondContact OE2-NH2 2.93Å; E84-Q254 PolarHBondContact OE1-NE2 3.04Å |
| 85 | K | 98 | Very high | 97.5 | Very high | 101 Ų | 101 | 27.4 Ų | 27.4 | 44% | 0.439 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -62.4 | -38.5 | 177.3 | -72.6 | 175.1 | 170.5 | 174.7 | 0 | 113 | E81 L83 S89 | E81-K85 HydrophobicContact CG-CD 4.05Å; E81-K85 HydrophobicContact CG-CG 4.47Å; E81-K85 WeakPolarHBondContact O-CB 3.36Å; E81-K85 WeakPolarHBondContact O-CG 3.42Å; E81-K85 PolarHBondContact O-N 3.46Å; E81-K85 WeakPolarHBondContact OE1-CE 3.43Å; E81-K85 IonicContact OE1-NZ 3.25Å; E81-K85 PolarHBondContact OE1-NZ 3.28Å; L83-K85 VanDerWaalsContact C-N 3.34Å; L83-K85 PolarHBondContact O-N 3.31Å; K85-S89 WeakPolarHBondContact O-CB 3.23Å; K85-S89 PolarHBondContact O-N 2.91Å; K85-S89 VanDerWaalsContact O-N 3.08Å; K85-S89 PolarHBondContact O-OG 3.24Å |
| 86 | C | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.1 | -48 | 176.9 | -172.3 | 0 | 0 | 0 | 0 | 111 | G36 C82 L83 E84 S89 L90 L270 L273 R274 | G36-C86 WeakPolarHBondContact O-CB 3.34Å; C82-C86 WeakPolarHBondContact O-CB 3.35Å; C82-C86 PolarHBondContact O-N 3.41Å; L83-C86 WeakPolarHBondContact O-CB 3.2Å; L83-C86 PolarHBondContact O-N 2.91Å; L83-C86 VanDerWaalsContact O-N 3.13Å; E84-C86 VanDerWaalsContact C-N 3.33Å; E84-C86 PolarHBondContact O-N 3.39Å; C86-S89 PolarHBondContact O-N 3.42Å; C86-L90 WeakPolarHBondContact O-CG 3.42Å; C86-L90 PolarHBondContact O-N 3.4Å; C86-L270 HydrophobicContact CB-CD1 3.69Å; C86-L273 HydrophobicContact CB-CD1 4.45Å; C86-R274 PolarHBondContact SG-NH1 2.72Å; C86-R274 VanDerWaalsContact SG-NH1 3.37Å |
| 87 | I | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -65.9 | -43.2 | -179.6 | -65.6 | 171.4 | 0 | 0 | 0 | 111 | L83 E84 S89 L90 E91 C96 V98 L223 M227 A237 V239 L273 | L83-I87 HydrophobicContact CD1-CD1 3.69Å; L83-I87 HydrophobicContact CD1-CG1 4.01Å; L83-I87 HydrophobicContact CD2-CD1 4.38Å; L83-I87 HydrophobicContact CG-CD1 3.77Å; L83-I87 HydrophobicContact CG-CG1 4.42Å; L83-I87 WeakPolarHBondContact O-CG1 3.32Å; L83-I87 PolarHBondContact O-N 3.48Å; E84-I87 PolarHBondContact O-N 3.31Å; I87-S89 VanDerWaalsContact C-N 3.28Å; I87-S89 PolarHBondContact O-N 2.98Å; I87-L90 PolarHBondContact O-N 3.24Å; I87-L90 VanDerWaalsContact O-N 3.12Å; I87-E91 PolarHBondContact O-N 3.06Å; I87-E91 VanDerWaalsContact O-N 3.07Å; I87-C96 HydrophobicContact CB-CB 4.5Å; I87-V98 HydrophobicContact CD1-CG1 3.97Å; I87-L223 HydrophobicContact CD1-CD1 3.65Å; I87-L223 HydrophobicContact CD1-CD2 3.83Å; I87-L223 HydrophobicContact CD1-CG 4.4Å; I87-M227 HydrophobicContact CG1-CE 4.27Å; I87-M227 HydrophobicContact CG2-CE 4.35Å; I87-A237 HydrophobicContact CD1-CB 4.41Å; I87-V239 HydrophobicContact CG2-CG2 3.65Å; I87-L273 HydrophobicContact CG1-CD1 3.83Å |
| 88 | A | 98 | Very high | 97.7 | Very high | 5 Ų | 5 | 25 Ų | 25 | 4% | 0.041 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -54.5 | -47.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | E84 L90 E91 D92 G93 C96 | E84-A88 WeakPolarHBondContact O-CB 3.43Å; E84-A88 PolarHBondContact O-N 2.98Å; A88-L90 PolarHBondContact O-N 3.04Å; A88-E91 PolarHBondContact O-N 3.34Å; A88-D92 PolarHBondContact O-N 3.06Å; A88-G93 WeakPolarHBondContact O-CA 3.45Å; A88-G93 PolarHBondContact O-N 2.89Å; A88-C96 HydrophobicContact CB-CB 3.97Å |
| 89 | S | 97.6 | Very high | 97.8 | Very high | 55 Ų | 55 | 23.7 Ų | 23.7 | 39% | 0.385 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -64.5 | -37.2 | 177.7 | -53.9 | 0 | 0 | 0 | 0 | 113 | V32 K85 C86 I87 E91 D92 | V32-S89 VanDerWaalsContact CG1-CB 3.44Å; K85-S89 WeakPolarHBondContact O-CB 3.23Å; K85-S89 PolarHBondContact O-N 2.91Å; K85-S89 VanDerWaalsContact O-N 3.08Å; K85-S89 PolarHBondContact O-OG 3.24Å; C86-S89 PolarHBondContact O-N 3.42Å; I87-S89 VanDerWaalsContact C-N 3.28Å; I87-S89 PolarHBondContact O-N 2.98Å; S89-E91 VanDerWaalsContact C-N 3.35Å; S89-E91 PolarHBondContact O-N 2.81Å; S89-D92 PolarHBondContact O-N 3.11Å |
| 90 | L | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.5 | -36 | 178.6 | -76 | 171.7 | 0 | 0 | 0 | 112.7 | I29 V32 A33 C86 I87 A88 D92 R210 M227 L273 L276 | I29-L90 HydrophobicContact CD1-CD2 4.45Å; I29-L90 HydrophobicContact CG1-CD2 3.85Å; V32-L90 HydrophobicContact CB-CD2 4.31Å; V32-L90 HydrophobicContact CG1-CD2 3.91Å; V32-L90 HydrophobicContact CG1-CG 4.1Å; A33-L90 HydrophobicContact CB-CD2 4.06Å; C86-L90 WeakPolarHBondContact O-CG 3.42Å; C86-L90 PolarHBondContact O-N 3.4Å; I87-L90 PolarHBondContact O-N 3.24Å; I87-L90 VanDerWaalsContact O-N 3.12Å; A88-L90 PolarHBondContact O-N 3.04Å; L90-D92 VanDerWaalsContact C-N 3.33Å; L90-R210 VanDerWaalsContact O-CZ 3.22Å; L90-R210 PolarHBondContact O-NE 2.92Å; L90-R210 PolarHBondContact O-NH2 3.22Å; L90-M227 HydrophobicContact CD1-CE 4.21Å; L90-L273 HydrophobicContact CD1-CD1 4.21Å; L90-L273 HydrophobicContact CD1-CD2 3.91Å; L90-L276 HydrophobicContact CD1-CD2 4.33Å |
| 91 | E | 97.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -2.3 | 176.4 | -74.6 | -65 | 165.3 | 0 | 0 | 113.8 | I87 A88 S89 G93 N201 S206 L212 H221 V239 | I87-E91 PolarHBondContact O-N 3.06Å; I87-E91 VanDerWaalsContact O-N 3.07Å; A88-E91 PolarHBondContact O-N 3.34Å; S89-E91 VanDerWaalsContact C-N 3.35Å; S89-E91 PolarHBondContact O-N 2.81Å; E91-G93 PolarHBondContact O-N 3.48Å; E91-N201 PolarHBondContact OE1-ND2 2.8Å; E91-S206 VanDerWaalsContact CD-OG 3.26Å; E91-S206 WeakPolarHBondContact CG-OG 3.42Å; E91-S206 WeakPolarHBondContact OE1-CA 3.25Å; E91-S206 VanDerWaalsContact OE1-CB 3.23Å; E91-S206 WeakPolarHBondContact OE1-CB 3.48Å; E91-S206 PolarHBondContact OE1-OG 2.82Å; E91-L212 HydrophobicContact CB-CD1 4.31Å; E91-H221 IonicContact OE1-CD2 2.95Å; E91-H221 IonicContact OE1-CE1 2.75Å; E91-H221 PolarHBondContact OE1-CE1 3.29Å; E91-H221 VanDerWaalsContact OE1-CE1 3.28Å; E91-H221 IonicContact OE1-NE2 3.92Å; E91-H221 PolarHBondContact OE1-NE2 3.05Å; E91-V239 HydrophobicContact CB-CB 4.38Å; E91-V239 HydrophobicContact CB-CG1 3.89Å; E91-V239 HydrophobicContact CG-CB 4.3Å; E91-V239 HydrophobicContact CG-CG1 4.31Å; E91-V239 HydrophobicContact CG-CG2 4.04Å |
| 92 | D | 96.6 | Very high | 97.8 | Very high | 85 Ų | 85 | 25.4 Ų | 25.4 | 46% | 0.455 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 41.2 | -164.8 | -170.4 | 46.4 | 0 | 0 | 0 | 111.6 | A88 S89 L90 R241 | A88-D92 PolarHBondContact O-N 3.06Å; S89-D92 PolarHBondContact O-N 3.11Å; L90-D92 VanDerWaalsContact C-N 3.33Å; D92-R241 VanDerWaalsContact O-CZ 3.31Å; D92-R241 PolarHBondContact O-NE 2.79Å; D92-R241 PolarHBondContact O-NH2 2.86Å; D92-R241 IonicContact OD2-CZ 2.73Å; D92-R241 IonicContact OD2-NE 3.47Å; D92-R241 IonicContact OD2-NH2 2.84Å; D92-R241 PolarHBondContact OD2-NH2 3.02Å |
| 93 | G | 96.7 | Very high | 97.8 | Very high | 16 Ų | 16 | 27.8 Ų | 27.8 | 17% | 0.165 | 16% | 0.155 | C | C | . | . | trans | -94.3 | 162 | 173 | 0 | 0 | 0 | 0 | 0 | 111.5 | A88 E91 T240 | A88-G93 WeakPolarHBondContact O-CA 3.45Å; A88-G93 PolarHBondContact O-N 2.89Å; E91-G93 PolarHBondContact O-N 3.48Å; G93-T240 CarbonylContact C-O 3.48Å; G93-T240 WeakPolarHBondContact CA-O 3.36Å | ||
| 94 | H | 93.8 | Very high | 97.8 | Very high | 134 Ų | 134 | 28.5 Ų | 28.5 | 62% | 0.62 | 16% | 0.161 | S | C | * | . | S | Bend | trans | -80.5 | -40.1 | 174.5 | 178.5 | 62.5 | 0 | 0 | 0 | 111.4 | T240 R241 | H94-T240 PolarHBondContact N-O 3.3Å; H94-R241 WeakPolarHBondContact CB-O 3.49Å |
| 95 | D | 94.7 | Very high | 97.8 | Very high | 40 Ų | 40 | 28.1 Ų | 28.1 | 21% | 0.214 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 154 | -173.3 | -153.2 | -29 | 0 | 0 | 0 | 111.3 | V239 T240 H247 R251 | D95-V239 WeakPolarHBondContact O-CA 3.47Å; D95-V239 WeakPolarHBondContact O-CG1 3.47Å; D95-T240 PolarHBondContact N-O 2.85Å; D95-T240 PolarHBondContact O-N 3.47Å; D95-H247 WeakPolarHBondContact CB-CE1 3.48Å; D95-H247 IonicContact OD1-CE1 3.72Å; D95-H247 PolarHBondContact OD1-CE1 3.3Å; D95-H247 VanDerWaalsContact OD1-CE1 3.29Å; D95-H247 IonicContact OD1-NE2 3.03Å; D95-H247 IonicContact OD2-CD2 3.83Å; D95-H247 PolarHBondContact OD2-CD2 3.24Å; D95-H247 IonicContact OD2-CE1 3.29Å; D95-H247 PolarHBondContact OD2-CE1 3.28Å; D95-H247 VanDerWaalsContact OD2-CE1 3.3Å; D95-H247 IonicContact OD2-NE2 3.59Å; D95-H247 PolarHBondContact OD2-NE2 2.98Å; D95-R251 IonicContact OD1-CZ 2.76Å; D95-R251 IonicContact OD1-NE 3.5Å; D95-R251 IonicContact OD1-NH2 3.37Å; D95-R251 PolarHBondContact OD1-NH2 3.46Å; D95-R251 IonicContact OD2-NH2 3.32Å |
| 96 | C | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 134.7 | -176 | 176.5 | 0 | 0 | 0 | 0 | 110.5 | E84 I87 A88 L238 V239 R251 | E84-C96 HydrophobicContact CB-CB 4.22Å; E84-C96 VanDerWaalsContact CB-O 3.32Å; E84-C96 WeakPolarHBondContact CB-O 3.46Å; E84-C96 WeakPolarHBondContact CG-O 3.39Å; E84-C96 VanDerWaalsContact O-CB 3.25Å; E84-C96 WeakPolarHBondContact O-CB 3.28Å; I87-C96 HydrophobicContact CB-CB 4.5Å; A88-C96 HydrophobicContact CB-CB 3.97Å; C96-L238 CarbonylContact C-O 3.6Å; C96-L238 VanDerWaalsContact CA-O 3.26Å; C96-L238 WeakPolarHBondContact CA-O 3.46Å; C96-V239 HydrophobicContact CB-CG2 4.07Å; C96-R251 PolarHBondContact O-NH2 2.92Å |
| 97 | C | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 128.7 | 166.6 | -62.5 | 0 | 0 | 0 | 0 | 109 | F99 A237 L238 R251 | C97-F99 HydrophobicContact CB-CE2 3.61Å; C97-F99 HydrophobicContact CB-CZ 3.57Å; C97-F99 WeakPolarHBondContact O-CD2 3.48Å; C97-F99 WeakPolarHBondContact O-CE2 3.28Å; C97-A237 CarbonylContact O-C 3.55Å; C97-A237 VanDerWaalsContact O-CA 3.3Å; C97-A237 WeakPolarHBondContact O-CA 3.44Å; C97-L238 PolarHBondContact N-O 3.23Å; C97-L238 PolarHBondContact O-N 2.74Å; C97-R251 VanDerWaalsContact SG-CD 3.55Å |
| 98 | V | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 149.3 | 172.1 | -61.9 | 0 | 0 | 0 | 0 | 112.7 | R80 L83 E84 I87 L223 M235 G236 A237 Q254 P261 | R80-V98 HydrophobicContact CG-CG2 3.32Å; L83-V98 HydrophobicContact CD2-CG1 4.12Å; L83-V98 HydrophobicContact CD2-CG2 4.5Å; L83-V98 HydrophobicContact CG-CG1 4.31Å; E84-V98 HydrophobicContact CG-CB 4.33Å; E84-V98 HydrophobicContact CG-CG1 3.92Å; E84-V98 HydrophobicContact CG-CG2 3.78Å; E84-V98 PolarHBondContact OE1-N 3.12Å; I87-V98 HydrophobicContact CD1-CG1 3.97Å; V98-L223 HydrophobicContact CG1-CD1 3.97Å; V98-M235 HydrophobicContact CB-CE 4.16Å; V98-M235 HydrophobicContact CG2-CE 4.28Å; V98-G236 CarbonylContact C-O 3.58Å; V98-G236 VanDerWaalsContact CA-O 3.28Å; V98-G236 WeakPolarHBondContact CA-O 3.46Å; V98-A237 HydrophobicContact CG1-CB 4.11Å; V98-Q254 PolarHBondContact O-NE2 3.29Å; V98-P261 HydrophobicContact CB-CG 4.31Å; V98-P261 HydrophobicContact CG2-CG 3.72Å; V98-P261 WeakPolarHBondContact O-CD 3.17Å |
| 99 | F | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 164.5 | -170.2 | -58.3 | -85.6 | 0 | 0 | 0 | 111.5 | C97 S101 A104 A105 T108 M235 G236 L238 Q254 A259 | C97-F99 HydrophobicContact CB-CE2 3.61Å; C97-F99 HydrophobicContact CB-CZ 3.57Å; C97-F99 WeakPolarHBondContact O-CD2 3.48Å; C97-F99 WeakPolarHBondContact O-CE2 3.28Å; F99-S101 PolarHBondContact O-N 2.97Å; F99-S101 VanDerWaalsContact O-N 3.17Å; F99-A104 HydrophobicContact CB-CB 3.98Å; F99-A105 HydrophobicContact CB-CB 4.3Å; F99-A105 HydrophobicContact CD2-CB 3.55Å; F99-A105 HydrophobicContact CE2-CB 4.18Å; F99-A105 HydrophobicContact CG-CB 4.1Å; F99-T108 HydrophobicContact CE1-CG2 3.71Å; F99-T108 WeakPolarHBondContact CE1-OG1 3.45Å; F99-T108 HydrophobicContact CZ-CG2 3.66Å; F99-M235 WeakPolarHBondContact O-CA 3.37Å; F99-G236 PolarHBondContact N-O 2.64Å; F99-G236 PolarHBondContact O-N 2.71Å; F99-L238 HydrophobicContact CD2-CG 4.37Å; F99-L238 HydrophobicContact CE2-CB 4.07Å; F99-L238 HydrophobicContact CE2-CD1 3.65Å; F99-L238 HydrophobicContact CE2-CG 3.64Å; F99-L238 HydrophobicContact CZ-CD1 3.9Å; F99-L238 HydrophobicContact CZ-CG 4.39Å; F99-Q254 HydrophobicContact CD1-CG 4.45Å; F99-Q254 HydrophobicContact CE1-CB 3.86Å; F99-Q254 HydrophobicContact CE1-CG 3.92Å; F99-Q254 HydrophobicContact CZ-CB 4.31Å; F99-Q254 HydrophobicContact CZ-CG 4.46Å; F99-A259 VanDerWaalsContact CA-O 3.31Å; F99-A259 WeakPolarHBondContact CA-O 3.21Å; F99-A259 WeakPolarHBondContact CB-O 3.32Å |
| 100 | S | 98.6 | Very high | 97.8 | Very high | 50 Ų | 50 | 21 Ų | 21 | 35% | 0.35 | 12% | 0.122 | S | C | . | . | S | Bend | trans | -67.2 | -9.2 | 179.6 | 59.5 | 0 | 0 | 0 | 0 | 115 | V234 A259 | S100-V234 CarbonylContact C-O 3.59Å; S100-V234 CarbonylContact O-C 3.53Å; S100-A259 PolarHBondContact N-O 2.82Å |
| 101 | S | 98.8 | Very high | 97.8 | Very high | 29 Ų | 29 | 25.9 Ų | 25.9 | 20% | 0.203 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -168.5 | 165.6 | 171.2 | 63.4 | 0 | 0 | 0 | 0 | 110.9 | F99 L103 A104 A105 G236 | F99-S101 PolarHBondContact O-N 2.97Å; F99-S101 VanDerWaalsContact O-N 3.17Å; S101-L103 PolarHBondContact O-N 3.35Å; S101-L103 PolarHBondContact OG-N 3.03Å; S101-A104 WeakPolarHBondContact O-CB 3.35Å; S101-A104 PolarHBondContact O-N 2.92Å; S101-A104 VanDerWaalsContact O-N 3.17Å; S101-A104 WeakPolarHBondContact OG-CB 3.44Å; S101-A104 PolarHBondContact OG-N 2.88Å; S101-A105 PolarHBondContact O-N 3.44Å; S101-G236 VanDerWaalsContact C-N 3.33Å; S101-G236 WeakPolarHBondContact O-CA 3.31Å |
| 102 | G | 98.5 | Very high | 97.8 | Very high | 8 Ų | 8 | 27.3 Ų | 27.3 | 8% | 0.082 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58 | -36.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | A105 L106 M235 | G102-A105 WeakPolarHBondContact O-CB 3.46Å; G102-A105 PolarHBondContact O-N 2.89Å; G102-L106 PolarHBondContact O-N 3.22Å; G102-M235 PolarHBondContact N-O 2.7Å |
| 103 | L | 98.2 | Very high | 97.8 | Very high | 52 Ų | 52 | 24.2 Ų | 24.2 | 27% | 0.272 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -71.6 | -29.8 | 176.1 | -71.4 | 175.2 | 0 | 0 | 0 | 113 | S101 L106 G107 Y126 | S101-L103 PolarHBondContact O-N 3.35Å; S101-L103 PolarHBondContact OG-N 3.03Å; L103-L106 HydrophobicContact CD2-CD2 4.39Å; L103-L106 PolarHBondContact O-N 3.34Å; L103-G107 PolarHBondContact O-N 2.99Å; L103-Y126 HydrophobicContact CD2-CE1 4.36Å |
| 104 | A | 98.6 | Very high | 97.9 | Very high | 15 Ų | 15 | 27.2 Ų | 27.2 | 12% | 0.124 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -68.8 | -36.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | F99 S101 G107 T108 A259 | F99-A104 HydrophobicContact CB-CB 3.98Å; S101-A104 WeakPolarHBondContact O-CB 3.35Å; S101-A104 PolarHBondContact O-N 2.92Å; S101-A104 VanDerWaalsContact O-N 3.17Å; S101-A104 WeakPolarHBondContact OG-CB 3.44Å; S101-A104 PolarHBondContact OG-N 2.88Å; A104-G107 PolarHBondContact O-N 3.1Å; A104-T108 PolarHBondContact O-N 2.9Å; A104-T108 PolarHBondContact O-OG1 3.5Å; A104-A259 HydrophobicContact CB-CB 3.93Å |
| 105 | A | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.4 | -48.8 | 171 | 0 | 0 | 0 | 0 | 0 | 111 | F99 S101 G102 G107 T108 L109 L220 L238 | F99-A105 HydrophobicContact CB-CB 4.3Å; F99-A105 HydrophobicContact CD2-CB 3.55Å; F99-A105 HydrophobicContact CE2-CB 4.18Å; F99-A105 HydrophobicContact CG-CB 4.1Å; S101-A105 PolarHBondContact O-N 3.44Å; G102-A105 WeakPolarHBondContact O-CB 3.46Å; G102-A105 PolarHBondContact O-N 2.89Å; A105-G107 VanDerWaalsContact C-N 3.34Å; A105-G107 PolarHBondContact O-N 2.59Å; A105-T108 WeakPolarHBondContact O-CB 3.44Å; A105-T108 PolarHBondContact O-N 2.83Å; A105-T108 VanDerWaalsContact O-N 3.14Å; A105-L109 PolarHBondContact O-N 3.02Å; A105-L220 HydrophobicContact CB-CD1 4.25Å; A105-L238 HydrophobicContact CB-CD2 4.05Å; A105-L238 HydrophobicContact CB-CG 4.02Å |
| 106 | L | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -56.6 | -48.4 | 173.1 | 176.8 | 62.3 | 0 | 0 | 0 | 111.2 | G102 L103 T108 L109 I110 N129 Y132 L167 L220 | G102-L106 PolarHBondContact O-N 3.22Å; L103-L106 HydrophobicContact CD2-CD2 4.39Å; L103-L106 PolarHBondContact O-N 3.34Å; L106-T108 PolarHBondContact O-N 3.01Å; L106-L109 WeakPolarHBondContact O-CB 3.49Å; L106-L109 PolarHBondContact O-N 3.18Å; L106-I110 HydrophobicContact CD1-CD1 4.27Å; L106-I110 HydrophobicContact CD1-CG1 4.36Å; L106-I110 HydrophobicContact CG-CG1 4.39Å; L106-I110 WeakPolarHBondContact O-CG1 3.4Å; L106-I110 PolarHBondContact O-N 2.63Å; L106-N129 HydrophobicContact CD2-CB 3.97Å; L106-Y132 HydrophobicContact CD2-CD1 4.26Å; L106-Y132 HydrophobicContact CD2-CG 4.08Å; L106-Y132 HydrophobicContact CG-CD1 4.47Å; L106-L167 HydrophobicContact CD1-CD2 4.05Å; L106-L220 HydrophobicContact CB-CD1 4.02Å |
| 107 | G | 98.2 | Very high | 98.2 | Very high | 3 Ų | 3 | 29.1 Ų | 29.1 | 3% | 0.031 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.1 | -26.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | L103 A104 A105 Q111 Y132 | L103-G107 PolarHBondContact O-N 2.99Å; A104-G107 PolarHBondContact O-N 3.1Å; A105-G107 VanDerWaalsContact C-N 3.34Å; A105-G107 PolarHBondContact O-N 2.59Å; G107-Q111 WeakPolarHBondContact O-CG 3.43Å; G107-Q111 PolarHBondContact O-N 3.48Å; G107-Q111 VanDerWaalsContact O-N 3.13Å; G107-Q111 PolarHBondContact O-NE2 3.47Å; G107-Y132 VanDerWaalsContact CA-CZ 3.48Å; G107-Y132 WeakPolarHBondContact CA-OH 3.24Å |
| 108 | T | 98.4 | Very high | 98.2 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.006 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68.9 | -43.2 | 172.1 | -59.4 | 0 | 0 | 0 | 0 | 110.7 | F99 A104 A105 L106 I110 Q111 I112 L238 L250 I253 | F99-T108 HydrophobicContact CE1-CG2 3.71Å; F99-T108 WeakPolarHBondContact CE1-OG1 3.45Å; F99-T108 HydrophobicContact CZ-CG2 3.66Å; A104-T108 PolarHBondContact O-N 2.9Å; A104-T108 PolarHBondContact O-OG1 3.5Å; A105-T108 WeakPolarHBondContact O-CB 3.44Å; A105-T108 PolarHBondContact O-N 2.83Å; A105-T108 VanDerWaalsContact O-N 3.14Å; L106-T108 PolarHBondContact O-N 3.01Å; T108-I110 VanDerWaalsContact C-N 3.31Å; T108-I110 PolarHBondContact O-N 3.24Å; T108-Q111 PolarHBondContact O-N 2.94Å; T108-I112 PolarHBondContact O-N 3.3Å; T108-L238 HydrophobicContact CG2-CD1 4.2Å; T108-L250 HydrophobicContact CG2-CD2 3.84Å; T108-I253 HydrophobicContact CG2-CB 3.8Å; T108-I253 HydrophobicContact CG2-CD1 4.46Å; T108-I253 HydrophobicContact CG2-CG2 3.55Å |
| 109 | L | 98 | Very high | 98.2 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.4 | -41.7 | 174.1 | -70.2 | 164.5 | 0 | 0 | 0 | 111.9 | A105 L106 Q111 I112 L165 V198 V218 L220 L238 L250 | A105-L109 PolarHBondContact O-N 3.02Å; L106-L109 WeakPolarHBondContact O-CB 3.49Å; L106-L109 PolarHBondContact O-N 3.18Å; L109-Q111 VanDerWaalsContact C-N 3.28Å; L109-Q111 PolarHBondContact O-N 2.5Å; L109-I112 HydrophobicContact CD2-CD1 4.27Å; L109-I112 WeakPolarHBondContact O-CB 3.2Å; L109-I112 PolarHBondContact O-N 2.59Å; L109-L165 HydrophobicContact CB-CD1 4.05Å; L109-V198 HydrophobicContact CD1-CB 4.43Å; L109-V198 HydrophobicContact CD1-CG1 3.69Å; L109-V198 HydrophobicContact CD1-CG2 3.95Å; L109-V198 HydrophobicContact CD2-CG2 4.18Å; L109-V218 HydrophobicContact CD2-CG1 4.27Å; L109-V218 HydrophobicContact CD2-CG2 4.19Å; L109-L220 HydrophobicContact CD1-CD1 3.91Å; L109-L238 HydrophobicContact CD1-CD1 4.49Å; L109-L238 HydrophobicContact CD1-CD2 3.61Å; L109-L238 HydrophobicContact CD2-CD1 4.14Å; L109-L238 HydrophobicContact CD2-CD2 4.35Å; L109-L238 HydrophobicContact CG-CD1 3.85Å; L109-L238 HydrophobicContact CG-CD2 3.89Å; L109-L250 HydrophobicContact CD2-CD2 4.22Å |
| 110 | I | 98.1 | Very high | 98.2 | Very high | 8 Ų | 8 | 29.2 Ų | 29.2 | 4% | 0.041 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.6 | -34.5 | 178.3 | -57 | -50.2 | 0 | 0 | 0 | 111.7 | L106 T108 I112 L113 I119 Y132 L133 A137 I142 | L106-I110 HydrophobicContact CD1-CD1 4.27Å; L106-I110 HydrophobicContact CD1-CG1 4.36Å; L106-I110 HydrophobicContact CG-CG1 4.39Å; L106-I110 WeakPolarHBondContact O-CG1 3.4Å; L106-I110 PolarHBondContact O-N 2.63Å; T108-I110 VanDerWaalsContact C-N 3.31Å; T108-I110 PolarHBondContact O-N 3.24Å; I110-I112 PolarHBondContact O-N 3.38Å; I110-L113 WeakPolarHBondContact O-CB 3.29Å; I110-L113 PolarHBondContact O-N 2.77Å; I110-I119 HydrophobicContact CD1-CD1 3.44Å; I110-I119 VanDerWaalsContact CD1-CD1 3.44Å; I110-Y132 HydrophobicContact CB-CE1 4.07Å; I110-Y132 HydrophobicContact CG1-CD1 4.13Å; I110-Y132 HydrophobicContact CG1-CE1 3.67Å; I110-Y132 HydrophobicContact CG2-CE1 4.22Å; I110-L133 HydrophobicContact CD1-CD2 3.67Å; I110-L133 HydrophobicContact CG1-CD2 4.36Å; I110-A137 HydrophobicContact CG2-CB 3.78Å; I110-I142 HydrophobicContact CG2-CD1 3.6Å |
| 111 | Q | 97.4 | Very high | 98.2 | Very high | 103 Ų | 103 | 26.9 Ų | 26.9 | 48% | 0.481 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -10.8 | 176.9 | -78.8 | 171.8 | 81.6 | 0 | 0 | 114.5 | G107 T108 L109 L113 I253 | G107-Q111 WeakPolarHBondContact O-CG 3.43Å; G107-Q111 PolarHBondContact O-N 3.48Å; G107-Q111 VanDerWaalsContact O-N 3.13Å; G107-Q111 PolarHBondContact O-NE2 3.47Å; T108-Q111 PolarHBondContact O-N 2.94Å; L109-Q111 VanDerWaalsContact C-N 3.28Å; L109-Q111 PolarHBondContact O-N 2.5Å; Q111-L113 VanDerWaalsContact C-N 3.28Å; Q111-I253 HydrophobicContact CB-CD1 3.98Å; Q111-I253 HydrophobicContact CB-CG1 4.49Å; Q111-I253 HydrophobicContact CB-CG2 3.99Å |
| 112 | I | 97 | Very high | 98.2 | Very high | 30 Ų | 30 | 25.5 Ų | 25.5 | 15% | 0.154 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -29.3 | 169.6 | -56.3 | 173.9 | 0 | 0 | 0 | 110.5 | T108 L109 I110 I196 L246 L250 I253 | T108-I112 PolarHBondContact O-N 3.3Å; L109-I112 HydrophobicContact CD2-CD1 4.27Å; L109-I112 WeakPolarHBondContact O-CB 3.2Å; L109-I112 PolarHBondContact O-N 2.59Å; I110-I112 PolarHBondContact O-N 3.38Å; I112-I196 HydrophobicContact CD1-CD1 4.44Å; I112-I196 HydrophobicContact CG2-CD1 4.34Å; I112-L246 HydrophobicContact CD1-CD1 3.57Å; I112-L250 HydrophobicContact CD1-CD2 3.64Å; I112-L250 HydrophobicContact CD1-CG 4.32Å; I112-L250 HydrophobicContact CG1-CD2 4.48Å; I112-I253 HydrophobicContact CB-CD1 4.49Å; I112-I253 HydrophobicContact CG1-CD1 3.57Å |
| 113 | L | 97.9 | Very high | 97.9 | Very high | 20 Ų | 20 | 27.3 Ų | 27.3 | 11% | 0.105 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -80.6 | 158.3 | -175 | -51.3 | -174.8 | 0 | 0 | 0 | 111.4 | I110 Q111 D117 I119 I142 R164 L165 | I110-L113 WeakPolarHBondContact O-CB 3.29Å; I110-L113 PolarHBondContact O-N 2.77Å; Q111-L113 VanDerWaalsContact C-N 3.28Å; L113-D117 HydrophobicContact CB-CB 4.11Å; L113-I119 HydrophobicContact CD1-CD1 3.72Å; L113-I119 HydrophobicContact CD1-CG1 3.66Å; L113-I142 HydrophobicContact CB-CD1 3.84Å; L113-I142 HydrophobicContact CB-CG1 4.29Å; L113-I142 HydrophobicContact CD1-CG2 4.07Å; L113-R164 HydrophobicContact CD2-CB 3.6Å; L113-L165 HydrophobicContact CD1-CB 4.26Å; L113-L165 HydrophobicContact CD2-CB 4.46Å |
| 114 | S | 97.6 | Very high | 97.6 | Very high | 78 Ų | 78 | 25.1 Ų | 25.1 | 55% | 0.545 | 15% | 0.145 | S | C | . | . | trans | -108 | 164.5 | 176.1 | -67.3 | 0 | 0 | 0 | 0 | 111.6 | N116 D117 | S114-N116 PolarHBondContact O-N 3.43Å; S114-D117 PolarHBondContact N-OD2 3.37Å; S114-D117 VanDerWaalsContact O-CB 3.27Å; S114-D117 WeakPolarHBondContact O-CB 3.31Å; S114-D117 PolarHBondContact O-N 3.21Å | ||
| 115 | S | 97.8 | Very high | 97.2 | Very high | 71 Ų | 71 | 24.9 Ų | 24.9 | 50% | 0.497 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | 138.2 | 170.2 | -178.6 | 0 | 0 | 0 | 0 | 110.7 | D117 S140 | S115-D117 VanDerWaalsContact C-N 3.29Å; S115-S140 WeakPolarHBondContact CA-O 3.42Å; S115-S140 WeakPolarHBondContact CB-O 3.44Å |
| 116 | N | 98 | Very high | 96.9 | Very high | 120 Ų | 120 | 28 Ų | 28 | 64% | 0.642 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.3 | 1.5 | -171.8 | -46.5 | -70 | 0 | 0 | 0 | 116.3 | S114 G141 N162 | S114-N116 PolarHBondContact O-N 3.43Å; N116-G141 WeakPolarHBondContact CA-O 3.24Å; N116-G141 PolarHBondContact N-O 3.21Å; N116-N162 PolarHBondContact O-ND2 2.9Å |
| 117 | D | 98.6 | Very high | 96.4 | Very high | 24 Ų | 24 | 28 Ų | 28 | 13% | 0.128 | 16% | 0.155 | C | C | . | . | trans | -69.7 | 155.8 | 166.6 | -73 | -23.1 | 0 | 0 | 0 | 111.1 | L113 S114 S115 I142 T143 R164 | L113-D117 HydrophobicContact CB-CB 4.11Å; S114-D117 PolarHBondContact N-OD2 3.37Å; S114-D117 VanDerWaalsContact O-CB 3.27Å; S114-D117 WeakPolarHBondContact O-CB 3.31Å; S114-D117 PolarHBondContact O-N 3.21Å; S115-D117 VanDerWaalsContact C-N 3.29Å; D117-I142 WeakPolarHBondContact O-CA 3.31Å; D117-T143 PolarHBondContact O-N 3.29Å; D117-T143 PolarHBondContact O-OG1 3.38Å; D117-R164 HydrophobicContact CB-CB 4.34Å; D117-R164 HydrophobicContact CB-CG 3.98Å; D117-R164 VanDerWaalsContact CG-CG 3.45Å; D117-R164 WeakPolarHBondContact OD1-CG 3.45Å; D117-R164 IonicContact OD1-NE 2.68Å | ||
| 118 | H | 98.7 | Very high | 96.1 | Very high | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.009 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 143.4 | -177.5 | 173.8 | -107 | 0 | 0 | 0 | 111.7 | V120 T143 T145 A158 Q160 N162 T163 R164 | H118-V120 VanDerWaalsContact CE1-CG2 3.47Å; H118-V120 WeakPolarHBondContact CE1-CG2 3.32Å; H118-T143 CarbonylContact C-O 3.59Å; H118-T143 WeakPolarHBondContact CA-O 3.36Å; H118-T143 PolarHBondContact CD2-OG1 3.43Å; H118-T145 PolarHBondContact CE1-OG1 3.42Å; H118-T145 VanDerWaalsContact NE2-CB 3.33Å; H118-T145 WeakPolarHBondContact NE2-CB 3.16Å; H118-T145 PolarHBondContact NE2-N 3.04Å; H118-T145 PolarHBondContact NE2-OG1 2.79Å; H118-A158 PolarHBondContact CE1-O 3.07Å; H118-Q160 PolarHBondContact CE1-NE2 3.39Å; H118-Q160 PolarHBondContact NE2-NE2 2.95Å; H118-N162 PolarHBondContact N-O 2.76Å; H118-T163 PolarHBondContact ND1-OG1 3.38Å; H118-T163 CarbonylContact O-C 3.56Å; H118-T163 VanDerWaalsContact O-CA 3.31Å; H118-T163 WeakPolarHBondContact O-CA 2.93Å; H118-R164 PolarHBondContact O-N 3.34Å |
| 119 | I | 98.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 130.6 | 176.8 | -57.5 | 173.4 | 0 | 0 | 0 | 109.1 | I110 L113 A121 L133 I142 T143 S144 T145 L165 | I110-I119 HydrophobicContact CD1-CD1 3.44Å; I110-I119 VanDerWaalsContact CD1-CD1 3.44Å; L113-I119 HydrophobicContact CD1-CD1 3.72Å; L113-I119 HydrophobicContact CD1-CG1 3.66Å; I119-A121 HydrophobicContact CG2-CB 4.48Å; I119-L133 HydrophobicContact CD1-CD2 3.73Å; I119-L133 HydrophobicContact CG2-CD1 4.41Å; I119-I142 HydrophobicContact CD1-CG2 3.66Å; I119-I142 HydrophobicContact CG1-CG2 3.95Å; I119-T143 PolarHBondContact N-O 3.05Å; I119-S144 CarbonylContact O-C 3.59Å; I119-S144 WeakPolarHBondContact O-CA 3.49Å; I119-T145 PolarHBondContact O-N 3.4Å; I119-L165 WeakPolarHBondContact CA-O 3.43Å; I119-L165 HydrophobicContact CG1-CB 4.28Å; I119-L165 HydrophobicContact CG2-CD2 3.74Å |
| 120 | V | 98.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 116.5 | 164.1 | -176.6 | 0 | 0 | 0 | 0 | 108 | H118 T145 V147 M149 F155 A158 L159 T163 L165 V166 L167 | H118-V120 VanDerWaalsContact CE1-CG2 3.47Å; H118-V120 WeakPolarHBondContact CE1-CG2 3.32Å; V120-T145 WeakPolarHBondContact CA-O 3.01Å; V120-V147 HydrophobicContact CG1-CG1 3.56Å; V120-M149 HydrophobicContact CB-CE 4.48Å; V120-M149 HydrophobicContact CG1-CE 3.77Å; V120-M149 WeakPolarHBondContact O-CE 3.48Å; V120-F155 HydrophobicContact CB-CE2 4.4Å; V120-F155 HydrophobicContact CG1-CD2 3.93Å; V120-F155 HydrophobicContact CG1-CE2 3.82Å; V120-A158 HydrophobicContact CG1-CB 3.88Å; V120-A158 HydrophobicContact CG2-CB 4.2Å; V120-A158 WeakPolarHBondContact CG2-O 3.14Å; V120-L159 HydrophobicContact CG2-CD2 4.16Å; V120-T163 HydrophobicContact CG2-CG2 3.95Å; V120-L165 PolarHBondContact N-O 3.47Å; V120-V166 HydrophobicContact CB-CG2 4.31Å; V120-V166 CarbonylContact O-C 3.57Å; V120-V166 VanDerWaalsContact O-CA 3.24Å; V120-V166 WeakPolarHBondContact O-CA 3.47Å; V120-L167 PolarHBondContact O-N 3.26Å |
| 121 | A | 98.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 146 | -178 | 0 | 0 | 0 | 0 | 0 | 110 | I119 L125 L133 T145 F146 V147 L167 | I119-A121 HydrophobicContact CG2-CB 4.48Å; A121-L125 HydrophobicContact CB-CD1 3.79Å; A121-L133 HydrophobicContact CB-CD1 3.8Å; A121-T145 PolarHBondContact N-O 2.9Å; A121-F146 HydrophobicContact CB-CD1 3.87Å; A121-F146 HydrophobicContact CB-CE1 3.89Å; A121-F146 HydrophobicContact CB-CG 4.49Å; A121-F146 WeakPolarHBondContact O-CA 3.26Å; A121-V147 PolarHBondContact O-N 2.69Å; A121-L167 WeakPolarHBondContact CA-O 3.41Å; A121-L167 HydrophobicContact CB-CB 4.46Å |
| 122 | F | 97.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.9 | 143 | 168.1 | -168.7 | -147.3 | 0 | 0 | 0 | 108.8 | D124 L125 F146 V147 M149 R150 L167 R177 V179 | F122-D124 VanDerWaalsContact C-N 3.26Å; F122-D124 HydrophobicContact CD1-CB 4.15Å; F122-D124 WeakPolarHBondContact CD1-O 3.43Å; F122-D124 HydrophobicContact CE1-CB 3.83Å; F122-D124 HydrophobicContact CZ-CB 4.14Å; F122-D124 PolarHBondContact O-N 2.98Å; F122-L125 HydrophobicContact CB-CD2 3.9Å; F122-L125 HydrophobicContact CB-CG 4.14Å; F122-L125 WeakPolarHBondContact O-CD1 3.45Å; F122-L125 VanDerWaalsContact O-CG 3.25Å; F122-L125 WeakPolarHBondContact O-CG 3.39Å; F122-F146 WeakPolarHBondContact O-CD1 3.19Å; F122-V147 WeakPolarHBondContact CA-O 3.35Å; F122-V147 WeakPolarHBondContact CD2-O 3.14Å; F122-M149 HydrophobicContact CB-CE 4.46Å; F122-M149 HydrophobicContact CB-CG 4.32Å; F122-M149 HydrophobicContact CB-SD 3.86Å; F122-M149 HydrophobicContact CD2-CB 3.67Å; F122-M149 HydrophobicContact CD2-CG 3.88Å; F122-M149 VanDerWaalsContact CD2-N 3.33Å; F122-M149 HydrophobicContact CD2-SD 4.44Å; F122-M149 HydrophobicContact CE2-CB 4.11Å; F122-M149 VanDerWaalsContact CE2-N 3.31Å; F122-M149 HydrophobicContact CG-CB 4.45Å; F122-M149 HydrophobicContact CG-CG 4.47Å; F122-M149 HydrophobicContact CG-SD 4.47Å; F122-M149 VanDerWaalsContact N-CE 3.31Å; F122-R150 HydrophobicContact CE2-CG 4.45Å; F122-R150 HydrophobicContact CZ-CG 4.32Å; F122-L167 PolarHBondContact N-O 2.92Å; F122-R177 HydrophobicContact CE1-CB 4.22Å; F122-R177 HydrophobicContact CZ-CB 4.06Å; F122-V179 HydrophobicContact CD1-CG2 4.06Å; F122-V179 HydrophobicContact CD2-CG2 4.23Å; F122-V179 HydrophobicContact CE1-CG2 3.85Å; F122-V179 HydrophobicContact CE2-CG2 4.06Å; F122-V179 HydrophobicContact CG-CG2 4.25Å; F122-V179 HydrophobicContact CZ-CG2 3.87Å |
| 123 | D | 92.9 | Very high | 95.2 | Very high | 47 Ų | 47 | 28 Ų | 28 | 25% | 0.251 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -72.9 | -23.4 | -179.2 | 62.5 | -8.9 | 0 | 0 | 0 | 113.1 | F146 V147 D148 | D123-F146 HydrophobicContact CB-CB 4.31Å; D123-V147 PolarHBondContact N-O 3.02Å; D123-D148 PolarHBondContact OD2-N 3.28Å |
| 124 | D | 91.6 | Very high | 95 | Very high | 5 Ų | 5 | 32 Ų | 32 | 3% | 0.027 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -109.6 | 74 | 177.6 | -170.3 | 30.4 | 0 | 0 | 0 | 110.9 | F122 S172 L175 R177 | F122-D124 VanDerWaalsContact C-N 3.26Å; F122-D124 HydrophobicContact CD1-CB 4.15Å; F122-D124 WeakPolarHBondContact CD1-O 3.43Å; F122-D124 HydrophobicContact CE1-CB 3.83Å; F122-D124 HydrophobicContact CZ-CB 4.14Å; F122-D124 PolarHBondContact O-N 2.98Å; D124-S172 WeakPolarHBondContact O-CB 3.44Å; D124-S172 WeakPolarHBondContact OD2-CB 3.4Å; D124-S172 PolarHBondContact OD2-OG 3.03Å; D124-L175 VanDerWaalsContact OD2-CB 3.32Å; D124-L175 WeakPolarHBondContact OD2-CB 3.48Å; D124-L175 WeakPolarHBondContact OD2-CD1 3.47Å; D124-R177 VanDerWaalsContact OD2-CD 3.31Å; D124-R177 WeakPolarHBondContact OD2-CD 3.4Å; D124-R177 IonicContact OD2-NE 2.85Å |
| 125 | L | 91.7 | Very high | 94.9 | Very high | 10 Ų | 10 | 33.7 Ų | 33.7 | 5% | 0.052 | 16% | 0.161 | C | C | . | . | trans | -106.3 | 162.4 | 172.7 | -65.7 | 172 | 0 | 0 | 0 | 110.1 | A121 F122 G127 N129 F146 L167 E169 | A121-L125 HydrophobicContact CB-CD1 3.79Å; F122-L125 HydrophobicContact CB-CD2 3.9Å; F122-L125 HydrophobicContact CB-CG 4.14Å; F122-L125 WeakPolarHBondContact O-CD1 3.45Å; F122-L125 VanDerWaalsContact O-CG 3.25Å; F122-L125 WeakPolarHBondContact O-CG 3.39Å; L125-G127 PolarHBondContact O-N 2.81Å; L125-G127 VanDerWaalsContact O-N 3.16Å; L125-N129 HydrophobicContact CB-CB 4.36Å; L125-N129 HydrophobicContact CD1-CB 4.49Å; L125-F146 HydrophobicContact CD1-CE1 4.37Å; L125-L167 HydrophobicContact CD1-CD2 3.8Å; L125-L167 HydrophobicContact CD1-CG 4.2Å; L125-L167 HydrophobicContact CD2-CG 4.38Å; L125-E169 WeakPolarHBondContact CA-OE2 3.5Å; L125-E169 HydrophobicContact CD2-CB 3.44Å; L125-E169 VanDerWaalsContact CD2-CB 3.44Å | ||
| 126 | Y | 92.5 | Very high | 94.8 | Very high | 65 Ų | 65 | 34.5 Ų | 34.5 | 26% | 0.255 | 16% | 0.16 | S | C | . | . | trans | -44.5 | 125.5 | 162.4 | 169.7 | -125.6 | 0 | 0 | 0 | 111.1 | L103 G128 N129 G130 E169 | L103-Y126 HydrophobicContact CD2-CE1 4.36Å; Y126-G128 PolarHBondContact O-N 3.04Å; Y126-N129 WeakPolarHBondContact O-CA 3.48Å; Y126-N129 WeakPolarHBondContact O-CB 3.19Å; Y126-N129 PolarHBondContact O-N 3.41Å; Y126-G130 PolarHBondContact O-N 2.94Å; Y126-E169 PolarHBondContact N-OE2 3.06Å | ||
| 127 | G | 87.4 | Confident | 94.7 | Very high | 2 Ų | 2 | 29 Ų | 29 | 2% | 0.021 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -51.8 | -29.7 | -177 | 0 | 0 | 0 | 0 | 0 | 114.8 | L125 R131 | L125-G127 PolarHBondContact O-N 2.81Å; L125-G127 VanDerWaalsContact O-N 3.16Å; G127-R131 WeakPolarHBondContact O-CB 3.31Å; G127-R131 PolarHBondContact O-N 2.91Å |
| 128 | G | 91.6 | Very high | 94.6 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -68.2 | -38.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y126 R131 Y132 | Y126-G128 PolarHBondContact O-N 3.04Å; G128-R131 PolarHBondContact O-N 3.09Å; G128-Y132 WeakPolarHBondContact O-CB 3.32Å; G128-Y132 PolarHBondContact O-N 3.21Å |
| 129 | N | 94 | Very high | 94.6 | Very high | 4 Ų | 4 | 38.6 Ų | 38.6 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.5 | -48.7 | 174.1 | -67.3 | -11.1 | 0 | 0 | 0 | 109.5 | L106 L125 Y126 R131 Y132 L133 D200 | L106-N129 HydrophobicContact CD2-CB 3.97Å; L125-N129 HydrophobicContact CB-CB 4.36Å; L125-N129 HydrophobicContact CD1-CB 4.49Å; Y126-N129 WeakPolarHBondContact O-CA 3.48Å; Y126-N129 WeakPolarHBondContact O-CB 3.19Å; Y126-N129 PolarHBondContact O-N 3.41Å; N129-R131 PolarHBondContact O-N 3.13Å; N129-Y132 WeakPolarHBondContact O-CB 3.42Å; N129-Y132 PolarHBondContact O-N 3.15Å; N129-Y132 VanDerWaalsContact O-N 3.16Å; N129-L133 WeakPolarHBondContact O-CG 3.48Å; N129-L133 PolarHBondContact O-N 3.41Å; N129-D200 PolarHBondContact ND2-OD2 3.43Å |
| 130 | G | 91.7 | Very high | 94.5 | Very high | 3 Ų | 3 | 42.2 Ų | 42.2 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.2 | -42.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y126 L133 R134 | Y126-G130 PolarHBondContact O-N 2.94Å; G130-L133 PolarHBondContact O-N 3.21Å; G130-R134 VanDerWaalsContact C-CZ 3.49Å; G130-R134 WeakPolarHBondContact O-CB 3.44Å; G130-R134 WeakPolarHBondContact O-CG 3.47Å; G130-R134 PolarHBondContact O-N 3.5Å |
| 131 | R | 92.1 | Very high | 94.4 | Very high | 88 Ų | 88 | 43.5 Ų | 43.5 | 33% | 0.332 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62.6 | -43 | 174.8 | -178.8 | 174.5 | 60.9 | -109.6 | 0.8 | 111.7 | G127 G128 N129 R134 Q135 | G127-R131 WeakPolarHBondContact O-CB 3.31Å; G127-R131 PolarHBondContact O-N 2.91Å; G128-R131 PolarHBondContact O-N 3.09Å; N129-R131 PolarHBondContact O-N 3.13Å; R131-R134 PolarHBondContact O-N 3.07Å; R131-Q135 HydrophobicContact CG-CG 4.41Å; R131-Q135 WeakPolarHBondContact O-CB 3.43Å; R131-Q135 PolarHBondContact O-N 3.3Å |
| 132 | Y | 96.1 | Very high | 94.4 | Very high | 47 Ų | 47 | 43.8 Ų | 43.8 | 18% | 0.184 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.4 | -50.6 | 177.3 | -167.6 | -73.8 | 0 | 0 | 0 | 111 | L106 G107 I110 G128 N129 L136 A137 | L106-Y132 HydrophobicContact CD2-CD1 4.26Å; L106-Y132 HydrophobicContact CD2-CG 4.08Å; L106-Y132 HydrophobicContact CG-CD1 4.47Å; G107-Y132 VanDerWaalsContact CA-CZ 3.48Å; G107-Y132 WeakPolarHBondContact CA-OH 3.24Å; I110-Y132 HydrophobicContact CB-CE1 4.07Å; I110-Y132 HydrophobicContact CG1-CD1 4.13Å; I110-Y132 HydrophobicContact CG1-CE1 3.67Å; I110-Y132 HydrophobicContact CG2-CE1 4.22Å; G128-Y132 WeakPolarHBondContact O-CB 3.32Å; G128-Y132 PolarHBondContact O-N 3.21Å; N129-Y132 WeakPolarHBondContact O-CB 3.42Å; N129-Y132 PolarHBondContact O-N 3.15Å; N129-Y132 VanDerWaalsContact O-N 3.16Å; Y132-L136 HydrophobicContact CD1-CB 4.38Å; Y132-L136 HydrophobicContact CD2-CD1 3.7Å; Y132-L136 HydrophobicContact CE1-CB 4.36Å; Y132-L136 HydrophobicContact CE2-CD1 3.79Å; Y132-L136 HydrophobicContact CG-CB 4.46Å; Y132-L136 HydrophobicContact CG-CD1 4.27Å; Y132-L136 WeakPolarHBondContact O-CA 3.42Å; Y132-L136 WeakPolarHBondContact O-CB 3.49Å; Y132-L136 PolarHBondContact O-N 3.08Å; Y132-A137 PolarHBondContact O-N 2.94Å |
| 133 | L | 96.2 | Very high | 94.5 | Very high | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.2 | -47.3 | -179.6 | -63 | -175.9 | 0 | 0 | 0 | 112 | I110 I119 A121 N129 G130 A137 S138 F146 L167 | I110-L133 HydrophobicContact CD1-CD2 3.67Å; I110-L133 HydrophobicContact CG1-CD2 4.36Å; I119-L133 HydrophobicContact CD1-CD2 3.73Å; I119-L133 HydrophobicContact CG2-CD1 4.41Å; A121-L133 HydrophobicContact CB-CD1 3.8Å; N129-L133 WeakPolarHBondContact O-CG 3.48Å; N129-L133 PolarHBondContact O-N 3.41Å; G130-L133 PolarHBondContact O-N 3.21Å; L133-A137 HydrophobicContact CD2-CB 4.43Å; L133-S138 PolarHBondContact O-N 3.45Å; L133-F146 HydrophobicContact CB-CZ 4.03Å; L133-F146 HydrophobicContact CD1-CE1 4.25Å; L133-F146 HydrophobicContact CD1-CZ 4.01Å; L133-L167 HydrophobicContact CD1-CD2 4.21Å |
| 134 | R | 93.9 | Very high | 94.7 | Very high | 104 Ų | 104 | 46.6 Ų | 46.6 | 39% | 0.392 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -71.4 | -35.4 | -176.3 | -71.5 | -173.5 | -66.3 | -88.9 | 3.4 | 114 | G130 R131 S138 F146 | G130-R134 VanDerWaalsContact C-CZ 3.49Å; G130-R134 WeakPolarHBondContact O-CB 3.44Å; G130-R134 WeakPolarHBondContact O-CG 3.47Å; G130-R134 PolarHBondContact O-N 3.5Å; R131-R134 PolarHBondContact O-N 3.07Å; R134-S138 WeakPolarHBondContact O-CB 3.37Å; R134-S138 PolarHBondContact O-OG 3.11Å; R134-F146 HydrophobicContact CG-CE2 3.77Å; R134-F146 HydrophobicContact CG-CZ 4.01Å |
| 135 | Q | 94.3 | Very high | 95 | Very high | 112 Ų | 112 | 48.5 Ų | 48.5 | 52% | 0.523 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -112.6 | -23.7 | -169.1 | -59 | -175.1 | 4.1 | 0 | 0 | 114.8 | R131 K139 | R131-Q135 HydrophobicContact CG-CG 4.41Å; R131-Q135 WeakPolarHBondContact O-CB 3.43Å; R131-Q135 PolarHBondContact O-N 3.3Å; Q135-K139 VanDerWaalsContact O-CE 3.24Å; Q135-K139 WeakPolarHBondContact O-CE 3.08Å |
| 136 | L | 96.1 | Very high | 95.2 | Very high | 89 Ų | 89 | 51 Ų | 51 | 47% | 0.466 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | -56.8 | 179.8 | -62.2 | 179.9 | 0 | 0 | 0 | 111.6 | Y132 S138 K139 | Y132-L136 HydrophobicContact CD1-CB 4.38Å; Y132-L136 HydrophobicContact CD2-CD1 3.7Å; Y132-L136 HydrophobicContact CE1-CB 4.36Å; Y132-L136 HydrophobicContact CE2-CD1 3.79Å; Y132-L136 HydrophobicContact CG-CB 4.46Å; Y132-L136 HydrophobicContact CG-CD1 4.27Å; Y132-L136 WeakPolarHBondContact O-CA 3.42Å; Y132-L136 WeakPolarHBondContact O-CB 3.49Å; Y132-L136 PolarHBondContact O-N 3.08Å; L136-S138 VanDerWaalsContact C-N 3.27Å; L136-S138 PolarHBondContact O-N 2.77Å; L136-K139 WeakPolarHBondContact O-CB 3.42Å; L136-K139 PolarHBondContact O-N 3.07Å; L136-K139 VanDerWaalsContact O-N 3.07Å |
| 137 | A | 97.3 | Very high | 95.4 | Very high | 4 Ų | 4 | 48.7 Ų | 48.7 | 3% | 0.033 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -60.4 | -38.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | I110 Y132 L133 K139 S140 I142 | I110-A137 HydrophobicContact CG2-CB 3.78Å; Y132-A137 PolarHBondContact O-N 2.94Å; L133-A137 HydrophobicContact CD2-CB 4.43Å; A137-K139 PolarHBondContact O-N 2.88Å; A137-S140 PolarHBondContact O-N 3.08Å; A137-I142 HydrophobicContact CB-CB 4.34Å; A137-I142 HydrophobicContact CB-CG2 4.45Å; A137-I142 PolarHBondContact O-N 3.06Å |
| 138 | S | 96.5 | Very high | 95.8 | Very high | 57 Ų | 57 | 50.2 Ų | 50.2 | 40% | 0.399 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -56.8 | -29.9 | 175.9 | 60.8 | 0 | 0 | 0 | 0 | 114.1 | L133 R134 L136 S140 G141 I142 | L133-S138 PolarHBondContact O-N 3.45Å; R134-S138 WeakPolarHBondContact O-CB 3.37Å; R134-S138 PolarHBondContact O-OG 3.11Å; L136-S138 VanDerWaalsContact C-N 3.27Å; L136-S138 PolarHBondContact O-N 2.77Å; S138-S140 PolarHBondContact O-N 2.85Å; S138-G141 PolarHBondContact O-N 2.84Å; S138-I142 VanDerWaalsContact CA-O 3.31Å; S138-I142 WeakPolarHBondContact CA-O 3.21Å |
| 139 | K | 97.2 | Very high | 96.1 | Very high | 171 Ų | 171 | 50.1 Ų | 50.1 | 74% | 0.743 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -68 | -22.5 | 176.8 | -64.3 | -178 | 175.3 | 179.7 | 0 | 113 | Q135 L136 A137 G141 | Q135-K139 VanDerWaalsContact O-CE 3.24Å; Q135-K139 WeakPolarHBondContact O-CE 3.08Å; L136-K139 WeakPolarHBondContact O-CB 3.42Å; L136-K139 PolarHBondContact O-N 3.07Å; L136-K139 VanDerWaalsContact O-N 3.07Å; A137-K139 PolarHBondContact O-N 2.88Å; K139-G141 VanDerWaalsContact C-N 3.33Å |
| 140 | S | 96.4 | Very high | 96.3 | Very high | 76 Ų | 76 | 54.8 Ų | 54.8 | 53% | 0.531 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -92.4 | 9 | 176.9 | -61.5 | 0 | 0 | 0 | 0 | 113.1 | S115 A137 S138 I142 | S115-S140 WeakPolarHBondContact CA-O 3.42Å; S115-S140 WeakPolarHBondContact CB-O 3.44Å; A137-S140 PolarHBondContact O-N 3.08Å; S138-S140 PolarHBondContact O-N 2.85Å; S140-I142 VanDerWaalsContact C-N 3.28Å; S140-I142 PolarHBondContact O-N 3.35Å |
| 141 | G | 97.5 | Very high | 96.6 | Very high | 26 Ų | 26 | 58 Ų | 58 | 27% | 0.268 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.3 | 11.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114 | N116 S138 K139 | N116-G141 WeakPolarHBondContact CA-O 3.24Å; N116-G141 PolarHBondContact N-O 3.21Å; S138-G141 PolarHBondContact O-N 2.84Å; K139-G141 VanDerWaalsContact C-N 3.33Å |
| 142 | I | 98.6 | Very high | 96.8 | Very high | 7 Ų | 7 | 56.8 Ų | 56.8 | 4% | 0.036 | 29% | 0.294 | C | S | . | . | trans | -86.9 | 125.3 | 174.8 | -61.7 | 163.2 | 0 | 0 | 0 | 108.3 | I110 L113 D117 I119 A137 S138 S140 | I110-I142 HydrophobicContact CG2-CD1 3.6Å; L113-I142 HydrophobicContact CB-CD1 3.84Å; L113-I142 HydrophobicContact CB-CG1 4.29Å; L113-I142 HydrophobicContact CD1-CG2 4.07Å; D117-I142 WeakPolarHBondContact O-CA 3.31Å; I119-I142 HydrophobicContact CD1-CG2 3.66Å; I119-I142 HydrophobicContact CG1-CG2 3.95Å; A137-I142 HydrophobicContact CB-CB 4.34Å; A137-I142 HydrophobicContact CB-CG2 4.45Å; A137-I142 PolarHBondContact O-N 3.06Å; S138-I142 VanDerWaalsContact CA-O 3.31Å; S138-I142 WeakPolarHBondContact CA-O 3.21Å; S140-I142 VanDerWaalsContact C-N 3.28Å; S140-I142 PolarHBondContact O-N 3.35Å | ||
| 143 | T | 98.1 | Very high | 96.9 | Very high | 70 Ų | 70 | 61.4 Ų | 61.4 | 43% | 0.429 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 157.4 | -178.6 | 57.5 | 0 | 0 | 0 | 0 | 111 | D117 H118 I119 | D117-T143 PolarHBondContact O-N 3.29Å; D117-T143 PolarHBondContact O-OG1 3.38Å; H118-T143 CarbonylContact C-O 3.59Å; H118-T143 WeakPolarHBondContact CA-O 3.36Å; H118-T143 PolarHBondContact CD2-OG1 3.43Å; I119-T143 PolarHBondContact N-O 3.05Å |
| 144 | S | 98.1 | Very high | 97 | Very high | 36 Ų | 36 | 64.9 Ų | 64.9 | 25% | 0.252 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 139.1 | 176.8 | 51.4 | 0 | 0 | 0 | 0 | 112.3 | I119 F146 | I119-S144 CarbonylContact O-C 3.59Å; I119-S144 WeakPolarHBondContact O-CA 3.49Å; S144-F146 WeakPolarHBondContact OG-CE2 3.38Å |
| 145 | T | 98.1 | Very high | 97.2 | Very high | 44 Ų | 44 | 60 Ų | 60 | 27% | 0.27 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 124.4 | 167.9 | -61.7 | 0 | 0 | 0 | 0 | 108.5 | H118 I119 V120 A121 A158 | H118-T145 PolarHBondContact CE1-OG1 3.42Å; H118-T145 VanDerWaalsContact NE2-CB 3.33Å; H118-T145 WeakPolarHBondContact NE2-CB 3.16Å; H118-T145 PolarHBondContact NE2-N 3.04Å; H118-T145 PolarHBondContact NE2-OG1 2.79Å; I119-T145 PolarHBondContact O-N 3.4Å; V120-T145 WeakPolarHBondContact CA-O 3.01Å; A121-T145 PolarHBondContact N-O 2.9Å; T145-A158 HydrophobicContact CG2-CB 3.98Å |
| 146 | F | 96.2 | Very high | 97.4 | Very high | 62 Ų | 62 | 60.2 Ų | 60.2 | 27% | 0.272 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 126.2 | 173.9 | -67.6 | -94.2 | 0 | 0 | 0 | 108.6 | A121 F122 D123 L125 L133 R134 S144 | A121-F146 HydrophobicContact CB-CD1 3.87Å; A121-F146 HydrophobicContact CB-CE1 3.89Å; A121-F146 HydrophobicContact CB-CG 4.49Å; A121-F146 WeakPolarHBondContact O-CA 3.26Å; F122-F146 WeakPolarHBondContact O-CD1 3.19Å; D123-F146 HydrophobicContact CB-CB 4.31Å; L125-F146 HydrophobicContact CD1-CE1 4.37Å; L133-F146 HydrophobicContact CB-CZ 4.03Å; L133-F146 HydrophobicContact CD1-CE1 4.25Å; L133-F146 HydrophobicContact CD1-CZ 4.01Å; R134-F146 HydrophobicContact CG-CE2 3.77Å; R134-F146 HydrophobicContact CG-CZ 4.01Å; S144-F146 WeakPolarHBondContact OG-CE2 3.38Å |
| 147 | V | 96.9 | Very high | 97.5 | Very high | 18 Ų | 18 | 62.1 Ų | 62.1 | 11% | 0.109 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 145.7 | -175.5 | 67.2 | 0 | 0 | 0 | 0 | 111.3 | V120 A121 F122 D123 M149 L154 F155 A158 | V120-V147 HydrophobicContact CG1-CG1 3.56Å; A121-V147 PolarHBondContact O-N 2.69Å; F122-V147 WeakPolarHBondContact CA-O 3.35Å; F122-V147 WeakPolarHBondContact CD2-O 3.14Å; D123-V147 PolarHBondContact N-O 3.02Å; V147-M149 HydrophobicContact CG1-CE 4.44Å; V147-M149 HydrophobicContact CG1-CG 4.09Å; V147-M149 PolarHBondContact O-N 2.93Å; V147-L154 HydrophobicContact CG2-CB 3.77Å; V147-F155 HydrophobicContact CG1-CD2 4.25Å; V147-A158 HydrophobicContact CB-CB 4.21Å; V147-A158 HydrophobicContact CG1-CB 3.98Å; V147-A158 HydrophobicContact CG2-CB 4.38Å |
| 148 | D | 96 | Very high | 97.6 | Very high | 33 Ų | 33 | 62.5 Ų | 62.5 | 18% | 0.176 | 33% | 0.326 | C | S | . | . | trans | -67 | 102 | 169.5 | -172.9 | -6.6 | 0 | 0 | 0 | 110 | D123 R150 D151 | D123-D148 PolarHBondContact OD2-N 3.28Å; D148-R150 PolarHBondContact O-N 3.32Å; D148-R150 WeakPolarHBondContact OD1-CB 3.36Å; D148-R150 VanDerWaalsContact OD1-CG 3.26Å; D148-R150 WeakPolarHBondContact OD1-CG 3.29Å; D148-R150 IonicContact OD1-CZ 3.01Å; D148-R150 PolarHBondContact OD1-N 3.45Å; D148-R150 IonicContact OD1-NE 2.75Å; D148-R150 PolarHBondContact OD1-NE 3.4Å; D148-R150 IonicContact OD1-NH2 3.33Å; D148-R150 IonicContact OD2-CZ 3.34Å; D148-R150 IonicContact OD2-NE 2.69Å; D148-R150 PolarHBondContact OD2-NE 3.19Å; D148-R150 IonicContact OD2-NH2 3.73Å; D148-R150 PolarHBondContact OD2-NH2 2.78Å; D148-D151 PolarHBondContact O-N 3.49Å | ||
| 149 | M | 97.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -2.3 | -178.8 | -68.1 | -178.5 | 175.1 | 0 | 0 | 113.6 | V120 F122 V147 D151 F155 V166 I168 V179 V184 | V120-M149 HydrophobicContact CB-CE 4.48Å; V120-M149 HydrophobicContact CG1-CE 3.77Å; V120-M149 WeakPolarHBondContact O-CE 3.48Å; F122-M149 HydrophobicContact CB-CE 4.46Å; F122-M149 HydrophobicContact CB-CG 4.32Å; F122-M149 HydrophobicContact CB-SD 3.86Å; F122-M149 HydrophobicContact CD2-CB 3.67Å; F122-M149 HydrophobicContact CD2-CG 3.88Å; F122-M149 VanDerWaalsContact CD2-N 3.33Å; F122-M149 HydrophobicContact CD2-SD 4.44Å; F122-M149 HydrophobicContact CE2-CB 4.11Å; F122-M149 VanDerWaalsContact CE2-N 3.31Å; F122-M149 HydrophobicContact CG-CB 4.45Å; F122-M149 HydrophobicContact CG-CG 4.47Å; F122-M149 HydrophobicContact CG-SD 4.47Å; F122-M149 VanDerWaalsContact N-CE 3.31Å; V147-M149 HydrophobicContact CG1-CE 4.44Å; V147-M149 HydrophobicContact CG1-CG 4.09Å; V147-M149 PolarHBondContact O-N 2.93Å; M149-D151 VanDerWaalsContact C-N 3.33Å; M149-F155 HydrophobicContact CE-CD2 4.03Å; M149-F155 HydrophobicContact CE-CE2 3.96Å; M149-F155 HydrophobicContact CG-CD2 3.88Å; M149-F155 HydrophobicContact CG-CG 4.44Å; M149-F155 HydrophobicContact SD-CD2 4.4Å; M149-V166 HydrophobicContact CE-CG1 3.76Å; M149-V166 HydrophobicContact SD-CG1 4.42Å; M149-I168 HydrophobicContact SD-CG1 3.73Å; M149-V179 HydrophobicContact CB-CG1 3.92Å; M149-V179 HydrophobicContact CB-CG2 4Å; M149-V184 HydrophobicContact CB-CG2 4.45Å |
| 150 | R | 96.9 | Very high | 97.8 | Very high | 102 Ų | 102 | 56 Ų | 56 | 39% | 0.385 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -30.6 | 169.5 | -57.2 | 174 | -65 | 169.8 | 6.1 | 111.2 | F122 D148 L152 L178 | F122-R150 HydrophobicContact CE2-CG 4.45Å; F122-R150 HydrophobicContact CZ-CG 4.32Å; D148-R150 PolarHBondContact O-N 3.32Å; D148-R150 WeakPolarHBondContact OD1-CB 3.36Å; D148-R150 VanDerWaalsContact OD1-CG 3.26Å; D148-R150 WeakPolarHBondContact OD1-CG 3.29Å; D148-R150 IonicContact OD1-CZ 3.01Å; D148-R150 PolarHBondContact OD1-N 3.45Å; D148-R150 IonicContact OD1-NE 2.75Å; D148-R150 PolarHBondContact OD1-NE 3.4Å; D148-R150 IonicContact OD1-NH2 3.33Å; D148-R150 IonicContact OD2-CZ 3.34Å; D148-R150 IonicContact OD2-NE 2.69Å; D148-R150 PolarHBondContact OD2-NE 3.19Å; D148-R150 IonicContact OD2-NH2 3.73Å; D148-R150 PolarHBondContact OD2-NH2 2.78Å; R150-L152 PolarHBondContact O-N 2.85Å; R150-L178 WeakPolarHBondContact CG-O 3.4Å |
| 151 | D | 97.7 | Very high | 97.9 | Very high | 69 Ų | 69 | 61.4 Ų | 61.4 | 37% | 0.369 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -88.6 | 96.9 | 169.3 | -172.8 | -28.5 | 0 | 0 | 0 | 109.2 | D148 M149 K153 L154 F155 | D148-D151 PolarHBondContact O-N 3.49Å; M149-D151 VanDerWaalsContact C-N 3.33Å; D151-K153 PolarHBondContact O-N 2.94Å; D151-K153 VanDerWaalsContact O-N 3.14Å; D151-K153 WeakPolarHBondContact OD1-CA 3.38Å; D151-K153 VanDerWaalsContact OD1-CB 3.27Å; D151-K153 WeakPolarHBondContact OD1-CB 3.43Å; D151-K153 PolarHBondContact OD1-N 3.38Å; D151-L154 HydrophobicContact CB-CB 4.03Å; D151-L154 HydrophobicContact CB-CD1 3.88Å; D151-L154 HydrophobicContact CB-CG 3.97Å; D151-L154 PolarHBondContact O-N 3.03Å; D151-L154 VanDerWaalsContact O-N 3.13Å; D151-L154 PolarHBondContact OD1-N 2.86Å; D151-L154 VanDerWaalsContact OD1-N 3.1Å; D151-L154 WeakPolarHBondContact OD2-CG 3.44Å; D151-F155 PolarHBondContact O-N 3.21Å |
| 152 | L | 98.1 | Very high | 97.9 | Very high | 63 Ų | 63 | 62.6 Ų | 62.6 | 33% | 0.33 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.7 | -24.2 | -178.7 | -61.7 | -179.7 | 0 | 0 | 0 | 113.2 | R150 Q156 A183 V184 I187 | R150-L152 PolarHBondContact O-N 2.85Å; L152-Q156 VanDerWaalsContact O-CB 3.29Å; L152-Q156 WeakPolarHBondContact O-CB 3.33Å; L152-Q156 PolarHBondContact O-N 3.27Å; L152-A183 HydrophobicContact CD1-CB 3.74Å; L152-A183 HydrophobicContact CD2-CB 3.99Å; L152-V184 HydrophobicContact CD2-CG2 3.99Å; L152-I187 HydrophobicContact CB-CD1 3.96Å; L152-I187 HydrophobicContact CD1-CD1 4.29Å; L152-I187 HydrophobicContact CD2-CD1 4.11Å; L152-I187 HydrophobicContact CG-CD1 4.35Å |
| 153 | K | 98.2 | Very high | 97.9 | Very high | 144 Ų | 144 | 62.2 Ų | 62.2 | 63% | 0.626 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -74.8 | -45.3 | 176.4 | -176.4 | -175.5 | 176 | -173.7 | 0 | 110.3 | D151 F155 Q156 Q157 | D151-K153 PolarHBondContact O-N 2.94Å; D151-K153 VanDerWaalsContact O-N 3.14Å; D151-K153 WeakPolarHBondContact OD1-CA 3.38Å; D151-K153 VanDerWaalsContact OD1-CB 3.27Å; D151-K153 WeakPolarHBondContact OD1-CB 3.43Å; D151-K153 PolarHBondContact OD1-N 3.38Å; K153-F155 VanDerWaalsContact C-N 3.34Å; K153-Q156 PolarHBondContact O-N 3.04Å; K153-Q157 VanDerWaalsContact O-CG 3.28Å; K153-Q157 WeakPolarHBondContact O-CG 3.48Å; K153-Q157 PolarHBondContact O-N 3.13Å |
| 154 | L | 97.8 | Very high | 97.9 | Very high | 76 Ų | 76 | 62.3 Ų | 62.3 | 40% | 0.398 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.4 | -45 | 173.6 | -68.5 | -179.9 | 0 | 0 | 0 | 110.9 | V147 D151 Q156 Q157 A158 | V147-L154 HydrophobicContact CG2-CB 3.77Å; D151-L154 HydrophobicContact CB-CB 4.03Å; D151-L154 HydrophobicContact CB-CD1 3.88Å; D151-L154 HydrophobicContact CB-CG 3.97Å; D151-L154 PolarHBondContact O-N 3.03Å; D151-L154 VanDerWaalsContact O-N 3.13Å; D151-L154 PolarHBondContact OD1-N 2.86Å; D151-L154 VanDerWaalsContact OD1-N 3.1Å; D151-L154 WeakPolarHBondContact OD2-CG 3.44Å; L154-Q156 PolarHBondContact O-N 2.99Å; L154-Q157 PolarHBondContact O-N 2.97Å; L154-A158 PolarHBondContact O-N 2.87Å; L154-A158 VanDerWaalsContact O-N 3.08Å |
| 155 | F | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -56.4 | -49.6 | 174.9 | 170.6 | -110.8 | 0 | 0 | 0 | 112.2 | V120 V147 M149 D151 K153 Q157 A158 L159 V166 V184 I187 T188 | V120-F155 HydrophobicContact CB-CE2 4.4Å; V120-F155 HydrophobicContact CG1-CD2 3.93Å; V120-F155 HydrophobicContact CG1-CE2 3.82Å; V147-F155 HydrophobicContact CG1-CD2 4.25Å; M149-F155 HydrophobicContact CE-CD2 4.03Å; M149-F155 HydrophobicContact CE-CE2 3.96Å; M149-F155 HydrophobicContact CG-CD2 3.88Å; M149-F155 HydrophobicContact CG-CG 4.44Å; M149-F155 HydrophobicContact SD-CD2 4.4Å; D151-F155 PolarHBondContact O-N 3.21Å; K153-F155 VanDerWaalsContact C-N 3.34Å; F155-Q157 VanDerWaalsContact C-N 3.26Å; F155-Q157 PolarHBondContact O-N 3.15Å; F155-A158 WeakPolarHBondContact O-CB 3.38Å; F155-A158 PolarHBondContact O-N 2.85Å; F155-L159 HydrophobicContact CE1-CD1 4.24Å; F155-L159 HydrophobicContact CE2-CD2 4.36Å; F155-L159 HydrophobicContact CZ-CD1 4.23Å; F155-L159 HydrophobicContact CZ-CD2 4.07Å; F155-L159 HydrophobicContact CZ-CG 4.28Å; F155-L159 PolarHBondContact O-N 2.72Å; F155-V166 HydrophobicContact CE2-CG1 3.83Å; F155-V166 HydrophobicContact CE2-CG2 4.13Å; F155-V166 HydrophobicContact CZ-CG1 4.03Å; F155-V166 HydrophobicContact CZ-CG2 4.06Å; F155-V184 HydrophobicContact CD1-CG1 4.3Å; F155-V184 HydrophobicContact CD1-CG2 4.34Å; F155-V184 HydrophobicContact CE1-CB 4.31Å; F155-V184 HydrophobicContact CE1-CG1 3.7Å; F155-V184 HydrophobicContact CE1-CG2 4.48Å; F155-V184 HydrophobicContact CE2-CG1 4.04Å; F155-V184 HydrophobicContact CZ-CG1 3.57Å; F155-I187 HydrophobicContact CD1-CB 4.45Å; F155-I187 HydrophobicContact CD1-CD1 4.45Å; F155-I187 HydrophobicContact CD1-CG2 4.07Å; F155-I187 HydrophobicContact CE1-CB 4.04Å; F155-I187 HydrophobicContact CE1-CG2 3.77Å; F155-T188 VanDerWaalsContact CZ-OG1 3.3Å; F155-T188 WeakPolarHBondContact CZ-OG1 3.34Å |
| 156 | Q | 98.4 | Very high | 98 | Very high | 118 Ų | 118 | 58.5 Ų | 58.5 | 55% | 0.551 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -61.1 | -35.6 | 179.6 | -173.7 | 177.4 | 3.2 | 0 | 0 | 112.3 | L152 K153 L154 A158 L159 I187 | L152-Q156 VanDerWaalsContact O-CB 3.29Å; L152-Q156 WeakPolarHBondContact O-CB 3.33Å; L152-Q156 PolarHBondContact O-N 3.27Å; K153-Q156 PolarHBondContact O-N 3.04Å; L154-Q156 PolarHBondContact O-N 2.99Å; Q156-A158 VanDerWaalsContact C-N 3.31Å; Q156-L159 PolarHBondContact O-N 2.82Å; Q156-I187 HydrophobicContact CB-CG2 4.13Å; Q156-I187 HydrophobicContact CG-CG2 4.09Å |
| 157 | Q | 98.3 | Very high | 98.1 | Very high | 129 Ų | 129 | 55.6 Ų | 55.6 | 60% | 0.603 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -70.1 | -26.3 | 176.4 | -72.3 | 173.4 | -6.4 | 0 | 0 | 113.3 | K153 L154 F155 L159 | K153-Q157 VanDerWaalsContact O-CG 3.28Å; K153-Q157 WeakPolarHBondContact O-CG 3.48Å; K153-Q157 PolarHBondContact O-N 3.13Å; L154-Q157 PolarHBondContact O-N 2.97Å; F155-Q157 VanDerWaalsContact C-N 3.26Å; F155-Q157 PolarHBondContact O-N 3.15Å; Q157-L159 VanDerWaalsContact C-N 3.29Å |
| 158 | A | 98.6 | Very high | 98.2 | Very high | 11 Ų | 11 | 54.7 Ų | 54.7 | 9% | 0.091 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -75.3 | -17.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | H118 V120 T145 V147 L154 F155 Q156 Q160 | H118-A158 PolarHBondContact CE1-O 3.07Å; V120-A158 HydrophobicContact CG1-CB 3.88Å; V120-A158 HydrophobicContact CG2-CB 4.2Å; V120-A158 WeakPolarHBondContact CG2-O 3.14Å; T145-A158 HydrophobicContact CG2-CB 3.98Å; V147-A158 HydrophobicContact CB-CB 4.21Å; V147-A158 HydrophobicContact CG1-CB 3.98Å; V147-A158 HydrophobicContact CG2-CB 4.38Å; L154-A158 PolarHBondContact O-N 2.87Å; L154-A158 VanDerWaalsContact O-N 3.08Å; F155-A158 WeakPolarHBondContact O-CB 3.38Å; F155-A158 PolarHBondContact O-N 2.85Å; Q156-A158 VanDerWaalsContact C-N 3.31Å; A158-Q160 PolarHBondContact O-N 3.08Å |
| 159 | L | 98.7 | Very high | 98.3 | Very high | 13 Ų | 13 | 53.4 Ų | 53.4 | 7% | 0.068 | 25% | 0.247 | C | C | . | . | trans | -70.1 | 124.6 | 176.5 | -66.9 | 172.2 | 0 | 0 | 0 | 111.1 | V120 F155 Q156 Q157 T163 V166 I187 F191 I195 | V120-L159 HydrophobicContact CG2-CD2 4.16Å; F155-L159 HydrophobicContact CE1-CD1 4.24Å; F155-L159 HydrophobicContact CE2-CD2 4.36Å; F155-L159 HydrophobicContact CZ-CD1 4.23Å; F155-L159 HydrophobicContact CZ-CD2 4.07Å; F155-L159 HydrophobicContact CZ-CG 4.28Å; F155-L159 PolarHBondContact O-N 2.72Å; Q156-L159 PolarHBondContact O-N 2.82Å; Q157-L159 VanDerWaalsContact C-N 3.29Å; L159-T163 HydrophobicContact CD2-CG2 4.09Å; L159-V166 HydrophobicContact CD2-CG2 4.11Å; L159-I187 HydrophobicContact CD1-CG2 4.02Å; L159-F191 HydrophobicContact CB-CD1 4.14Å; L159-F191 HydrophobicContact CB-CD2 4.09Å; L159-F191 HydrophobicContact CB-CE1 4.08Å; L159-F191 HydrophobicContact CB-CE2 4.02Å; L159-F191 HydrophobicContact CB-CG 4.15Å; L159-F191 HydrophobicContact CB-CZ 4.02Å; L159-F191 HydrophobicContact CD1-CB 3.86Å; L159-F191 HydrophobicContact CD1-CD1 4.39Å; L159-F191 HydrophobicContact CD1-CD2 4.27Å; L159-F191 HydrophobicContact CD1-CG 3.93Å; L159-I195 HydrophobicContact CD2-CD1 4.35Å | ||
| 160 | Q | 98.5 | Very high | 98.4 | Very high | 79 Ų | 79 | 53.4 Ų | 53.4 | 37% | 0.369 | 25% | 0.247 | S | C | . | . | trans | -117.5 | 159.1 | 179.5 | -57.7 | 175.6 | 32.5 | 0 | 0 | 111 | H118 A158 N162 T163 F191 | H118-Q160 PolarHBondContact CE1-NE2 3.39Å; H118-Q160 PolarHBondContact NE2-NE2 2.95Å; A158-Q160 PolarHBondContact O-N 3.08Å; Q160-N162 VanDerWaalsContact CB-OD1 3.3Å; Q160-N162 WeakPolarHBondContact CB-OD1 3.47Å; Q160-N162 PolarHBondContact O-N 3.27Å; Q160-N162 VanDerWaalsContact O-N 3.16Å; Q160-N162 PolarHBondContact OE1-OD1 3.15Å; Q160-T163 WeakPolarHBondContact CA-OG1 3.25Å; Q160-T163 PolarHBondContact N-OG1 3.49Å; Q160-T163 WeakPolarHBondContact O-CB 2.98Å; Q160-T163 PolarHBondContact O-N 3.24Å; Q160-T163 PolarHBondContact O-OG1 3.02Å; Q160-F191 WeakPolarHBondContact O-CE1 3.21Å | ||
| 161 | K | 98.2 | Very high | 98.4 | Very high | 190 Ų | 190 | 48.6 Ų | 48.6 | 83% | 0.826 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -32.4 | -179.4 | -174.9 | 179.8 | 177.4 | -177.5 | 0 | 113.7 | R164 | K161-R164 PolarHBondContact O-NH1 3.37Š|
| 162 | N | 98.5 | Very high | 98.4 | Very high | 50 Ų | 50 | 45.3 Ų | 45.3 | 27% | 0.267 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 7.8 | 176 | 66 | -32.9 | 0 | 0 | 0 | 113.4 | N116 H118 Q160 R164 | N116-N162 PolarHBondContact O-ND2 2.9Å; H118-N162 PolarHBondContact N-O 2.76Å; Q160-N162 VanDerWaalsContact CB-OD1 3.3Å; Q160-N162 WeakPolarHBondContact CB-OD1 3.47Å; Q160-N162 PolarHBondContact O-N 3.27Å; Q160-N162 VanDerWaalsContact O-N 3.16Å; Q160-N162 PolarHBondContact OE1-OD1 3.15Å; N162-R164 PolarHBondContact O-N 2.82Å |
| 163 | T | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 133.5 | 173.2 | -52.8 | 0 | 0 | 0 | 0 | 109.2 | H118 V120 L159 Q160 I195 | H118-T163 PolarHBondContact ND1-OG1 3.38Å; H118-T163 CarbonylContact O-C 3.56Å; H118-T163 VanDerWaalsContact O-CA 3.31Å; H118-T163 WeakPolarHBondContact O-CA 2.93Å; V120-T163 HydrophobicContact CG2-CG2 3.95Å; L159-T163 HydrophobicContact CD2-CG2 4.09Å; Q160-T163 WeakPolarHBondContact CA-OG1 3.25Å; Q160-T163 PolarHBondContact N-OG1 3.49Å; Q160-T163 WeakPolarHBondContact O-CB 2.98Å; Q160-T163 PolarHBondContact O-N 3.24Å; Q160-T163 PolarHBondContact O-OG1 3.02Å; T163-I195 HydrophobicContact CG2-CD1 4.03Å; T163-I195 HydrophobicContact CG2-CG2 4.3Å; T163-I195 WeakPolarHBondContact O-CG1 3.48Å |
| 164 | R | 98.6 | Very high | 98 | Very high | 71 Ų | 71 | 35.6 Ų | 35.6 | 27% | 0.268 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | -15.9 | 178.8 | -66 | -59.3 | 176.1 | -101.4 | 2.5 | 114 | L113 D117 H118 K161 N162 I196 | L113-R164 HydrophobicContact CD2-CB 3.6Å; D117-R164 HydrophobicContact CB-CB 4.34Å; D117-R164 HydrophobicContact CB-CG 3.98Å; D117-R164 VanDerWaalsContact CG-CG 3.45Å; D117-R164 WeakPolarHBondContact OD1-CG 3.45Å; D117-R164 IonicContact OD1-NE 2.68Å; H118-R164 PolarHBondContact O-N 3.34Å; K161-R164 PolarHBondContact O-NH1 3.37Å; N162-R164 PolarHBondContact O-N 2.82Å; R164-I196 PolarHBondContact O-N 3.41Å |
| 165 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 138.3 | 178.7 | -170.4 | 149.1 | 0 | 0 | 0 | 111 | L109 L113 I119 V120 L167 I196 V198 | L109-L165 HydrophobicContact CB-CD1 4.05Å; L113-L165 HydrophobicContact CD1-CB 4.26Å; L113-L165 HydrophobicContact CD2-CB 4.46Å; I119-L165 WeakPolarHBondContact CA-O 3.43Å; I119-L165 HydrophobicContact CG1-CB 4.28Å; I119-L165 HydrophobicContact CG2-CD2 3.74Å; V120-L165 PolarHBondContact N-O 3.47Å; L165-L167 HydrophobicContact CD2-CB 3.83Å; L165-I196 CarbonylContact C-O 3.55Å; L165-I196 WeakPolarHBondContact CA-O 3.24Å; L165-V198 HydrophobicContact CD1-CG2 3.99Å; L165-V198 HydrophobicContact CD2-CG2 4.22Å; L165-V198 HydrophobicContact CG-CG2 3.99Å |
| 166 | V | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 122.3 | 169 | 172.4 | 0 | 0 | 0 | 0 | 108 | V120 M149 F155 L159 I168 V184 T188 I195 I196 V198 | V120-V166 HydrophobicContact CB-CG2 4.31Å; V120-V166 CarbonylContact O-C 3.57Å; V120-V166 VanDerWaalsContact O-CA 3.24Å; V120-V166 WeakPolarHBondContact O-CA 3.47Å; M149-V166 HydrophobicContact CE-CG1 3.76Å; M149-V166 HydrophobicContact SD-CG1 4.42Å; F155-V166 HydrophobicContact CE2-CG1 3.83Å; F155-V166 HydrophobicContact CE2-CG2 4.13Å; F155-V166 HydrophobicContact CZ-CG1 4.03Å; F155-V166 HydrophobicContact CZ-CG2 4.06Å; L159-V166 HydrophobicContact CD2-CG2 4.11Å; V166-I168 HydrophobicContact CG1-CD1 4.43Å; V166-I168 HydrophobicContact CG1-CG1 4.15Å; V166-V184 HydrophobicContact CG1-CG1 3.91Å; V166-T188 HydrophobicContact CG2-CG2 3.84Å; V166-I195 HydrophobicContact CG2-CG2 3.79Å; V166-I196 PolarHBondContact N-O 2.69Å; V166-V198 PolarHBondContact O-N 3.1Å |
| 167 | L | 98.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 116.4 | -178.2 | -178.7 | 63 | 0 | 0 | 0 | 111 | L106 V120 A121 F122 L125 L133 L165 V198 | L106-L167 HydrophobicContact CD1-CD2 4.05Å; V120-L167 PolarHBondContact O-N 3.26Å; A121-L167 WeakPolarHBondContact CA-O 3.41Å; A121-L167 HydrophobicContact CB-CB 4.46Å; F122-L167 PolarHBondContact N-O 2.92Å; L125-L167 HydrophobicContact CD1-CD2 3.8Å; L125-L167 HydrophobicContact CD1-CG 4.2Å; L125-L167 HydrophobicContact CD2-CG 4.38Å; L133-L167 HydrophobicContact CD1-CD2 4.21Å; L165-L167 HydrophobicContact CD2-CB 3.83Å; L167-V198 HydrophobicContact CD1-CB 3.97Å; L167-V198 HydrophobicContact CD1-CG1 3.85Å |
| 168 | I | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 146.2 | -179.2 | -56.1 | 164.4 | 0 | 0 | 0 | 108.9 | M149 V166 V179 V184 V197 V198 V199 D200 | M149-I168 HydrophobicContact SD-CG1 3.73Å; V166-I168 HydrophobicContact CG1-CD1 4.43Å; V166-I168 HydrophobicContact CG1-CG1 4.15Å; I168-V179 HydrophobicContact CG2-CB 3.76Å; I168-V179 HydrophobicContact CG2-CG1 3.86Å; I168-V179 HydrophobicContact CG2-CG2 4.06Å; I168-V184 HydrophobicContact CD1-CB 4.02Å; I168-V184 HydrophobicContact CD1-CG1 3.53Å; I168-V184 HydrophobicContact CG1-CG1 4.18Å; I168-V197 HydrophobicContact CD1-CG1 3.88Å; I168-V198 PolarHBondContact N-O 3.12Å; I168-V199 HydrophobicContact CB-CG2 4.1Å; I168-V199 HydrophobicContact CD1-CG2 4.01Å; I168-V199 HydrophobicContact CG2-CG2 4.46Å; I168-V199 CarbonylContact O-C 3.58Å; I168-V199 WeakPolarHBondContact O-CA 3.39Å; I168-D200 PolarHBondContact O-N 2.82Å |
| 169 | E | 98.4 | Very high | 97.7 | Very high | 5 Ų | 5 | 21.9 Ų | 21.9 | 2% | 0.023 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 121.4 | 163.8 | -171.7 | 177.5 | 142 | 0 | 0 | 107.3 | L125 Y126 N173 D200 | L125-E169 WeakPolarHBondContact CA-OE2 3.5Å; L125-E169 HydrophobicContact CD2-CB 3.44Å; L125-E169 VanDerWaalsContact CD2-CB 3.44Å; Y126-E169 PolarHBondContact N-OE2 3.06Å; E169-N173 WeakPolarHBondContact OE1-CB 3.44Å; E169-N173 PolarHBondContact OE1-N 3.04Å; E169-D200 HydrophobicContact CB-CB 4.17Å; E169-D200 HydrophobicContact CG-CB 4.05Å |
| 170 | S | 98.3 | Very high | 97.7 | Very high | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.007 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -149.4 | 112.9 | -174.1 | 176.1 | 0 | 0 | 0 | 0 | 110.9 | V179 Q209 Q320 | S170-V179 PolarHBondContact OG-N 3.44Å; S170-Q209 PolarHBondContact O-NE2 3.25Å; S170-Q320 PolarHBondContact OG-NE2 3.46Å |
| 171 | P | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 8% | 0.084 | C | C | . | . | S | Bend | cis | -64.2 | 148.8 | -3.7 | -14.7 | 26.7 | 0 | 0 | 0 | 113 | M176 R177 L178 F203 M204 M321 | P171-M176 HydrophobicContact CB-CE 4.05Å; P171-M176 HydrophobicContact CB-SD 4.17Å; P171-M176 HydrophobicContact CG-CE 4.18Å; P171-R177 CarbonylContact C-O 3.5Å; P171-R177 WeakPolarHBondContact CA-O 3.46Å; P171-L178 HydrophobicContact CB-CD2 3.71Å; P171-L178 HydrophobicContact CG-CD2 3.58Å; P171-F203 HydrophobicContact CB-CD2 4.33Å; P171-M204 WeakPolarHBondContact CD-SD 3.42Å; P171-M204 HydrophobicContact CG-CG 4.33Å; P171-M204 HydrophobicContact CG-SD 3.72Å; P171-M321 HydrophobicContact CG-CE 4.38Å |
| 172 | S | 97.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 6% | 0.056 | C | C | . | . | P | Polyproline II helix | trans | -72.4 | 149 | 175.2 | 59 | 0 | 0 | 0 | 0 | 114.1 | D124 L175 M176 R177 | D124-S172 WeakPolarHBondContact O-CB 3.44Å; D124-S172 WeakPolarHBondContact OD2-CB 3.4Å; D124-S172 PolarHBondContact OD2-OG 3.03Å; S172-L175 PolarHBondContact O-N 3.39Å; S172-M176 WeakPolarHBondContact O-CA 3.41Å; S172-M176 PolarHBondContact O-N 3.24Å; S172-M176 PolarHBondContact OG-N 2.89Å; S172-R177 PolarHBondContact N-O 3.44Å; S172-R177 WeakPolarHBondContact OG-CB 3.47Å; S172-R177 PolarHBondContact OG-N 3.11Å |
| 173 | N | 94.8 | Very high | 97.8 | Very high | 4 Ų | 4 | 10 Ų | 10 | 2% | 0.021 | 5% | 0.051 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 118.2 | 166.5 | -176.1 | 12 | 0 | 0 | 0 | 111.3 | E169 F203 R389 | E169-N173 WeakPolarHBondContact OE1-CB 3.44Å; E169-N173 PolarHBondContact OE1-N 3.04Å; N173-F203 HydrophobicContact CB-CE1 3.66Å; N173-F203 HydrophobicContact CB-CE2 4.25Å; N173-F203 HydrophobicContact CB-CZ 3.47Å; N173-F203 VanDerWaalsContact CB-CZ 3.47Å; N173-R389 PolarHBondContact ND2-NH1 3.43Å; N173-R389 WeakPolarHBondContact OD1-CD 3.49Å; N173-R389 PolarHBondContact OD1-NH1 3.5Å |
| 174 | P | 94.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.051 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -109.9 | 2.8 | 12.7 | 39.5 | -32.8 | 0 | 0 | 0 | 114.3 | T329 P365 I383 M387 | P174-T329 WeakPolarHBondContact O-CG2 3.26Å; P174-T329 PolarHBondContact O-OG1 2.98Å; P174-P365 HydrophobicContact CB-CB 4.28Å; P174-P365 HydrophobicContact CB-CG 4.01Å; P174-P365 HydrophobicContact CG-CB 4.08Å; P174-P365 HydrophobicContact CG-CG 4.3Å; P174-I383 HydrophobicContact CG-CD1 4Å; P174-I383 HydrophobicContact CG-CG1 4.1Å; P174-M387 HydrophobicContact CB-CE 3.92Å; P174-M387 HydrophobicContact CG-CE 3.47Å; P174-M387 VanDerWaalsContact CG-CE 3.47Å |
| 175 | L | 95 | Very high | 97.7 | Very high | 6 Ų | 6 | 6.8 Ų | 6.8 | 3% | 0.031 | 4% | 0.039 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 2.6 | -167 | -54.8 | 168.7 | 0 | 0 | 0 | 114.2 | D124 S172 R177 L304 Y331 N381 I383 M387 | D124-L175 VanDerWaalsContact OD2-CB 3.32Å; D124-L175 WeakPolarHBondContact OD2-CB 3.48Å; D124-L175 WeakPolarHBondContact OD2-CD1 3.47Å; S172-L175 PolarHBondContact O-N 3.39Å; L175-R177 HydrophobicContact CB-CG 4.09Å; L175-R177 PolarHBondContact O-N 3.28Å; L175-R177 VanDerWaalsContact O-N 3.1Å; L175-L304 WeakPolarHBondContact O-CD1 3.42Å; L175-Y331 WeakPolarHBondContact CD2-OH 3.39Å; L175-N381 HydrophobicContact CD1-CB 4.38Å; L175-N381 WeakPolarHBondContact CD1-O 3.42Å; L175-I383 HydrophobicContact CD1-CG1 4.36Å; L175-I383 HydrophobicContact CD2-CG1 4.07Å; L175-I383 HydrophobicContact CG-CG1 4.34Å; L175-M387 HydrophobicContact CD2-CE 4.1Å |
| 176 | M | 96.9 | Very high | 97.7 | Very high | 2 Ų | 2 | 9.2 Ų | 9.2 | 1% | 0.01 | 6% | 0.056 | C | C | . | . | trans | 59.8 | 19.2 | 177.3 | -60.6 | -66 | -68.4 | 0 | 0 | 114.1 | P171 S172 F203 L304 P306 F311 M327 T329 | P171-M176 HydrophobicContact CB-CE 4.05Å; P171-M176 HydrophobicContact CB-SD 4.17Å; P171-M176 HydrophobicContact CG-CE 4.18Å; S172-M176 WeakPolarHBondContact O-CA 3.41Å; S172-M176 PolarHBondContact O-N 3.24Å; S172-M176 PolarHBondContact OG-N 2.89Å; M176-F203 HydrophobicContact CE-CD2 4.48Å; M176-F203 HydrophobicContact SD-CD2 3.64Å; M176-F203 HydrophobicContact SD-CE2 3.51Å; M176-F203 VanDerWaalsContact SD-CE2 3.51Å; M176-L304 HydrophobicContact CB-CB 4.32Å; M176-P306 VanDerWaalsContact CE-CD 3.46Å; M176-P306 HydrophobicContact CE-CG 3.86Å; M176-F311 HydrophobicContact CB-CE2 4.03Å; M176-F311 HydrophobicContact CB-CZ 4.47Å; M176-F311 WeakPolarHBondContact O-CZ 3.39Å; M176-M327 HydrophobicContact CE-CB 3.99Å; M176-M327 WeakPolarHBondContact CE-O 3.41Å; M176-M327 HydrophobicContact SD-CB 3.8Å; M176-T329 VanDerWaalsContact CG-OG1 3.28Å; M176-T329 WeakPolarHBondContact CG-OG1 3.44Å | ||
| 177 | R | 96.7 | Very high | 97.7 | Very high | 38 Ų | 38 | 10.7 Ų | 10.7 | 14% | 0.143 | 6% | 0.064 | C | C | . | . | trans | -66.6 | 137.8 | -179.4 | -64.2 | 175.4 | -177.7 | 173.3 | 0.7 | 109.8 | F122 D124 P171 S172 L175 N381 | F122-R177 HydrophobicContact CE1-CB 4.22Å; F122-R177 HydrophobicContact CZ-CB 4.06Å; D124-R177 VanDerWaalsContact OD2-CD 3.31Å; D124-R177 WeakPolarHBondContact OD2-CD 3.4Å; D124-R177 IonicContact OD2-NE 2.85Å; P171-R177 CarbonylContact C-O 3.5Å; P171-R177 WeakPolarHBondContact CA-O 3.46Å; S172-R177 PolarHBondContact N-O 3.44Å; S172-R177 WeakPolarHBondContact OG-CB 3.47Å; S172-R177 PolarHBondContact OG-N 3.11Å; L175-R177 HydrophobicContact CB-CG 4.09Å; L175-R177 PolarHBondContact O-N 3.28Å; L175-R177 VanDerWaalsContact O-N 3.1Å; R177-N381 PolarHBondContact NH2-O 3.23Å | ||
| 178 | L | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 6% | 0.063 | C | C | . | . | trans | -96.5 | 149.5 | 177.1 | -52.1 | -175.2 | 0 | 0 | 0 | 110.9 | R150 P171 F311 Q313 I316 I317 M321 | R150-L178 WeakPolarHBondContact CG-O 3.4Å; P171-L178 HydrophobicContact CB-CD2 3.71Å; P171-L178 HydrophobicContact CG-CD2 3.58Å; L178-F311 HydrophobicContact CD1-CE1 3.86Å; L178-F311 HydrophobicContact CD1-CZ 4.45Å; L178-F311 HydrophobicContact CG-CE1 4.04Å; L178-F311 HydrophobicContact CG-CZ 4.16Å; L178-Q313 HydrophobicContact CB-CB 4.49Å; L178-Q313 HydrophobicContact CD1-CB 4.32Å; L178-Q313 PolarHBondContact O-NE2 3.38Å; L178-I316 HydrophobicContact CB-CB 4.37Å; L178-I316 HydrophobicContact CB-CG2 3.84Å; L178-I316 HydrophobicContact CD1-CB 4.22Å; L178-I316 HydrophobicContact CD1-CG2 4.11Å; L178-I317 HydrophobicContact CD1-CD1 4.29Å; L178-I317 HydrophobicContact CD1-CG1 3.46Å; L178-I317 VanDerWaalsContact CD1-CG1 3.46Å; L178-M321 HydrophobicContact CD1-SD 3.84Å; L178-M321 HydrophobicContact CD2-SD 4.18Å | ||
| 179 | V | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.074 | C | C | . | . | trans | -118.1 | 136.3 | 170.1 | 175.6 | 0 | 0 | 0 | 0 | 108.1 | F122 M149 I168 S170 I181 V184 Q320 | F122-V179 HydrophobicContact CD1-CG2 4.06Å; F122-V179 HydrophobicContact CD2-CG2 4.23Å; F122-V179 HydrophobicContact CE1-CG2 3.85Å; F122-V179 HydrophobicContact CE2-CG2 4.06Å; F122-V179 HydrophobicContact CG-CG2 4.25Å; F122-V179 HydrophobicContact CZ-CG2 3.87Å; M149-V179 HydrophobicContact CB-CG1 3.92Å; M149-V179 HydrophobicContact CB-CG2 4Å; I168-V179 HydrophobicContact CG2-CB 3.76Å; I168-V179 HydrophobicContact CG2-CG1 3.86Å; I168-V179 HydrophobicContact CG2-CG2 4.06Å; S170-V179 PolarHBondContact OG-N 3.44Å; V179-I181 PolarHBondContact O-N 2.88Å; V179-V184 HydrophobicContact CG1-CB 4.43Å; V179-V184 HydrophobicContact CG1-CG2 3.57Å; V179-Q320 PolarHBondContact O-NE2 3.48Å; V179-Q320 PolarHBondContact O-OE1 2.97Å | ||
| 180 | D | 98.5 | Very high | 97.7 | Very high | 31 Ų | 31 | 20.7 Ų | 20.7 | 17% | 0.166 | 11% | 0.108 | C | C | . | . | trans | -71.2 | 94.4 | 171.2 | -172.8 | -26.6 | 0 | 0 | 0 | 109.2 | S182 A183 V184 I316 K319 | D180-S182 VanDerWaalsContact C-N 3.26Å; D180-S182 PolarHBondContact O-N 2.88Å; D180-S182 PolarHBondContact OD1-N 3.32Å; D180-A183 HydrophobicContact CB-CB 3.82Å; D180-A183 VanDerWaalsContact CG-CB 3.46Å; D180-A183 PolarHBondContact O-N 3.36Å; D180-A183 PolarHBondContact OD1-N 2.89Å; D180-V184 PolarHBondContact O-N 3.05Å; D180-I316 HydrophobicContact CB-CD1 3.63Å; D180-K319 IonicContact OD1-NZ 2.78Å; D180-K319 PolarHBondContact OD1-NZ 3.05Å; D180-K319 IonicContact OD2-NZ 2.69Å; D180-K319 PolarHBondContact OD2-NZ 2.92Å | ||
| 181 | I | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59 | -42.1 | -173.8 | -63 | 165.5 | 0 | 0 | 0 | 110.1 | V179 A183 V184 A185 V199 P211 H214 A216 Q320 | V179-I181 PolarHBondContact O-N 2.88Å; I181-A183 PolarHBondContact O-N 3.44Å; I181-V184 PolarHBondContact O-N 2.89Å; I181-A185 VanDerWaalsContact O-CB 3.23Å; I181-A185 WeakPolarHBondContact O-CB 3.49Å; I181-A185 PolarHBondContact O-N 3.4Å; I181-V199 HydrophobicContact CD1-CG1 4.04Å; I181-V199 HydrophobicContact CD1-CG2 4.37Å; I181-V199 HydrophobicContact CG1-CG2 4.26Å; I181-V199 HydrophobicContact CG2-CG2 3.84Å; I181-P211 HydrophobicContact CD1-CB 4.23Å; I181-P211 HydrophobicContact CD1-CG 4.49Å; I181-H214 HydrophobicContact CB-CB 3.79Å; I181-H214 HydrophobicContact CG2-CB 3.53Å; I181-A216 HydrophobicContact CG2-CB 4.41Å; I181-Q320 VanDerWaalsContact N-OE1 3.12Å |
| 182 | S | 98.6 | Very high | 97.7 | Very high | 33 Ų | 33 | 27.1 Ų | 27.1 | 23% | 0.231 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66.7 | -38.1 | 179.9 | -58.8 | 0 | 0 | 0 | 0 | 113.2 | D180 S186 H214 | D180-S182 VanDerWaalsContact C-N 3.26Å; D180-S182 PolarHBondContact O-N 2.88Å; D180-S182 PolarHBondContact OD1-N 3.32Å; S182-S186 WeakPolarHBondContact O-CB 3.39Å; S182-S186 PolarHBondContact O-N 3.04Å; S182-H214 WeakPolarHBondContact CA-O 3.47Å; S182-H214 PolarHBondContact N-O 3.15Å; S182-H214 WeakPolarHBondContact OG-CA 3.4Å; S182-H214 WeakPolarHBondContact OG-CB 3.31Å; S182-H214 PolarHBondContact OG-ND1 3.49Å; S182-H214 PolarHBondContact OG-O 3.14Å |
| 183 | A | 98.6 | Very high | 97.7 | Very high | 19 Ų | 19 | 35.7 Ų | 35.7 | 16% | 0.157 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68.1 | -47.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L152 D180 I181 S186 I187 | L152-A183 HydrophobicContact CD1-CB 3.74Å; L152-A183 HydrophobicContact CD2-CB 3.99Å; D180-A183 HydrophobicContact CB-CB 3.82Å; D180-A183 VanDerWaalsContact CG-CB 3.46Å; D180-A183 PolarHBondContact O-N 3.36Å; D180-A183 PolarHBondContact OD1-N 2.89Å; I181-A183 PolarHBondContact O-N 3.44Å; A183-S186 PolarHBondContact O-N 3.37Å; A183-I187 VanDerWaalsContact O-CG1 3.29Å; A183-I187 WeakPolarHBondContact O-CG1 3.38Å; A183-I187 PolarHBondContact O-N 2.9Å |
| 184 | V | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.3 | -46.4 | 178.7 | 173 | 0 | 0 | 0 | 0 | 111.1 | M149 L152 F155 V166 I168 V179 D180 I181 S186 I187 T188 | M149-V184 HydrophobicContact CB-CG2 4.45Å; L152-V184 HydrophobicContact CD2-CG2 3.99Å; F155-V184 HydrophobicContact CD1-CG1 4.3Å; F155-V184 HydrophobicContact CD1-CG2 4.34Å; F155-V184 HydrophobicContact CE1-CB 4.31Å; F155-V184 HydrophobicContact CE1-CG1 3.7Å; F155-V184 HydrophobicContact CE1-CG2 4.48Å; F155-V184 HydrophobicContact CE2-CG1 4.04Å; F155-V184 HydrophobicContact CZ-CG1 3.57Å; V166-V184 HydrophobicContact CG1-CG1 3.91Å; I168-V184 HydrophobicContact CD1-CB 4.02Å; I168-V184 HydrophobicContact CD1-CG1 3.53Å; I168-V184 HydrophobicContact CG1-CG1 4.18Å; V179-V184 HydrophobicContact CG1-CB 4.43Å; V179-V184 HydrophobicContact CG1-CG2 3.57Å; D180-V184 PolarHBondContact O-N 3.05Å; I181-V184 PolarHBondContact O-N 2.89Å; V184-S186 PolarHBondContact O-N 3.3Å; V184-I187 PolarHBondContact O-N 2.86Å; V184-T188 VanDerWaalsContact O-CB 3.32Å; V184-T188 WeakPolarHBondContact O-CB 3.42Å; V184-T188 PolarHBondContact O-N 2.98Å; V184-T188 PolarHBondContact O-OG1 3.49Å |
| 185 | A | 98.6 | Very high | 97.9 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 2% | 0.017 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.8 | -47 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | I181 I187 T188 H189 V197 G215 | I181-A185 VanDerWaalsContact O-CB 3.23Å; I181-A185 WeakPolarHBondContact O-CB 3.49Å; I181-A185 PolarHBondContact O-N 3.4Å; A185-I187 PolarHBondContact O-N 2.85Å; A185-T188 WeakPolarHBondContact O-CB 3.47Å; A185-T188 PolarHBondContact O-N 2.96Å; A185-H189 PolarHBondContact O-N 3.17Å; A185-H189 PolarHBondContact O-ND1 3.31Å; A185-V197 HydrophobicContact CB-CG1 4.32Å; A185-V197 HydrophobicContact CB-CG2 4.48Å; A185-G215 WeakPolarHBondContact CB-O 3.2Å |
| 186 | S | 98.6 | Very high | 98.1 | Very high | 52 Ų | 52 | 43 Ų | 43 | 36% | 0.364 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -60.9 | -44.8 | 178.7 | -170.4 | 0 | 0 | 0 | 0 | 112.6 | S182 A183 V184 T188 K190 | S182-S186 WeakPolarHBondContact O-CB 3.39Å; S182-S186 PolarHBondContact O-N 3.04Å; A183-S186 PolarHBondContact O-N 3.37Å; V184-S186 PolarHBondContact O-N 3.3Å; S186-T188 VanDerWaalsContact C-N 3.34Å; S186-K190 VanDerWaalsContact O-CB 3.31Å; S186-K190 WeakPolarHBondContact O-CB 3.49Å; S186-K190 WeakPolarHBondContact O-CD 3.02Å; S186-K190 WeakPolarHBondContact O-CG 3.23Å; S186-K190 PolarHBondContact O-N 2.82Å |
| 187 | I | 98.7 | Very high | 98.1 | Very high | 31 Ų | 31 | 42.9 Ų | 42.9 | 16% | 0.159 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.8 | -44.8 | 176.9 | -69.4 | 166.4 | 0 | 0 | 0 | 110.1 | L152 F155 Q156 L159 A183 V184 A185 K190 F191 | L152-I187 HydrophobicContact CB-CD1 3.96Å; L152-I187 HydrophobicContact CD1-CD1 4.29Å; L152-I187 HydrophobicContact CD2-CD1 4.11Å; L152-I187 HydrophobicContact CG-CD1 4.35Å; F155-I187 HydrophobicContact CD1-CB 4.45Å; F155-I187 HydrophobicContact CD1-CD1 4.45Å; F155-I187 HydrophobicContact CD1-CG2 4.07Å; F155-I187 HydrophobicContact CE1-CB 4.04Å; F155-I187 HydrophobicContact CE1-CG2 3.77Å; Q156-I187 HydrophobicContact CB-CG2 4.13Å; Q156-I187 HydrophobicContact CG-CG2 4.09Å; L159-I187 HydrophobicContact CD1-CG2 4.02Å; A183-I187 VanDerWaalsContact O-CG1 3.29Å; A183-I187 WeakPolarHBondContact O-CG1 3.38Å; A183-I187 PolarHBondContact O-N 2.9Å; V184-I187 PolarHBondContact O-N 2.86Å; A185-I187 PolarHBondContact O-N 2.85Å; I187-K190 PolarHBondContact O-N 2.97Å; I187-F191 PolarHBondContact O-N 2.86Å |
| 188 | T | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.6 | -54.3 | 180 | -57.8 | 0 | 0 | 0 | 0 | 111.7 | F155 V166 V184 A185 S186 K190 F191 N192 I195 V197 | F155-T188 VanDerWaalsContact CZ-OG1 3.3Å; F155-T188 WeakPolarHBondContact CZ-OG1 3.34Å; V166-T188 HydrophobicContact CG2-CG2 3.84Å; V184-T188 VanDerWaalsContact O-CB 3.32Å; V184-T188 WeakPolarHBondContact O-CB 3.42Å; V184-T188 PolarHBondContact O-N 2.98Å; V184-T188 PolarHBondContact O-OG1 3.49Å; A185-T188 WeakPolarHBondContact O-CB 3.47Å; A185-T188 PolarHBondContact O-N 2.96Å; S186-T188 VanDerWaalsContact C-N 3.34Å; T188-K190 VanDerWaalsContact C-N 3.29Å; T188-K190 PolarHBondContact O-N 2.74Å; T188-F191 WeakPolarHBondContact O-CB 3.47Å; T188-F191 PolarHBondContact O-N 3.16Å; T188-N192 PolarHBondContact O-N 3.42Å; T188-I195 HydrophobicContact CG2-CB 3.55Å; T188-I195 HydrophobicContact CG2-CD1 4.21Å; T188-I195 HydrophobicContact CG2-CG1 4.48Å; T188-I195 HydrophobicContact CG2-CG2 3.31Å; T188-V197 HydrophobicContact CG2-CG2 3.57Å |
| 189 | H | 98.1 | Very high | 98.3 | Very high | 47 Ų | 47 | 41.1 Ų | 41.1 | 22% | 0.218 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -71.2 | -23.7 | -176.9 | -60.5 | 152.7 | 0 | 0 | 0 | 113.2 | A185 K193 G215 D217 | A185-H189 PolarHBondContact O-N 3.17Å; A185-H189 PolarHBondContact O-ND1 3.31Å; H189-K193 VanDerWaalsContact O-CG 3.24Å; H189-K193 WeakPolarHBondContact O-CG 3.38Å; H189-K193 PolarHBondContact O-N 3.37Å; H189-G215 PolarHBondContact CE1-O 3.48Å; H189-G215 VanDerWaalsContact CE1-O 3.28Å; H189-D217 IonicContact CD2-OD2 3.74Å; H189-D217 IonicContact CE1-OD1 3.19Å; H189-D217 IonicContact CE1-OD2 2.68Å; H189-D217 IonicContact NE2-OD1 3.3Å; H189-D217 IonicContact NE2-OD2 3.1Å; H189-D217 PolarHBondContact NE2-OD2 3.45Å |
| 190 | K | 98.4 | Very high | 98.3 | Very high | 169 Ų | 169 | 41.6 Ų | 41.6 | 74% | 0.735 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -69 | -37 | 168.1 | -79 | 172.5 | -177.2 | 171.6 | 0 | 112 | S186 I187 T188 | S186-K190 VanDerWaalsContact O-CB 3.31Å; S186-K190 WeakPolarHBondContact O-CB 3.49Å; S186-K190 WeakPolarHBondContact O-CD 3.02Å; S186-K190 WeakPolarHBondContact O-CG 3.23Å; S186-K190 PolarHBondContact O-N 2.82Å; I187-K190 PolarHBondContact O-N 2.97Å; T188-K190 VanDerWaalsContact C-N 3.29Å; T188-K190 PolarHBondContact O-N 2.74Å |
| 191 | F | 98.5 | Very high | 98.3 | Very high | 94 Ų | 94 | 40.1 Ų | 40.1 | 41% | 0.412 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -71.3 | -50 | 177.5 | -178.2 | -89.8 | 0 | 0 | 0 | 111.3 | L159 Q160 I187 T188 I195 | L159-F191 HydrophobicContact CB-CD1 4.14Å; L159-F191 HydrophobicContact CB-CD2 4.09Å; L159-F191 HydrophobicContact CB-CE1 4.08Å; L159-F191 HydrophobicContact CB-CE2 4.02Å; L159-F191 HydrophobicContact CB-CG 4.15Å; L159-F191 HydrophobicContact CB-CZ 4.02Å; L159-F191 HydrophobicContact CD1-CB 3.86Å; L159-F191 HydrophobicContact CD1-CD1 4.39Å; L159-F191 HydrophobicContact CD1-CD2 4.27Å; L159-F191 HydrophobicContact CD1-CG 3.93Å; Q160-F191 WeakPolarHBondContact O-CE1 3.21Å; I187-F191 PolarHBondContact O-N 2.86Å; T188-F191 WeakPolarHBondContact O-CB 3.47Å; T188-F191 PolarHBondContact O-N 3.16Å; F191-I195 HydrophobicContact CD1-CD1 3.76Å; F191-I195 HydrophobicContact CE1-CD1 4.29Å |
| 192 | N | 97.9 | Very high | 98.3 | Very high | 42 Ų | 42 | 40.7 Ų | 40.7 | 23% | 0.225 | 20% | 0.2 | C | C | . | . | trans | -158.9 | 121.9 | 171.1 | -179.4 | 2 | 0 | 0 | 0 | 110 | T188 E194 I195 | T188-N192 PolarHBondContact O-N 3.42Å; N192-E194 PolarHBondContact O-N 3.28Å; N192-E194 WeakPolarHBondContact OD1-CB 3.44Å; N192-E194 PolarHBondContact OD1-N 3.18Å; N192-I195 HydrophobicContact CB-CD1 3.85Å; N192-I195 HydrophobicContact CB-CG1 3.94Å; N192-I195 PolarHBondContact O-N 3.08Å | ||
| 193 | K | 96.2 | Very high | 98.3 | Very high | 179 Ų | 179 | 39.4 Ų | 39.4 | 78% | 0.778 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -15.5 | 179.5 | -65 | -175.6 | -180 | -178.6 | 0 | 114.1 | H189 I195 | H189-K193 VanDerWaalsContact O-CG 3.24Å; H189-K193 WeakPolarHBondContact O-CG 3.38Å; H189-K193 PolarHBondContact O-N 3.37Å; K193-I195 VanDerWaalsContact C-N 3.33Å |
| 194 | E | 95.8 | Very high | 98.3 | Very high | 142 Ų | 142 | 38.6 Ų | 38.6 | 66% | 0.664 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -8.6 | 177.6 | -60.3 | 179.7 | 160.3 | 0 | 0 | 113.1 | N192 I196 | N192-E194 PolarHBondContact O-N 3.28Å; N192-E194 WeakPolarHBondContact OD1-CB 3.44Å; N192-E194 PolarHBondContact OD1-N 3.18Å; E194-I196 PolarHBondContact O-N 2.84Å |
| 195 | I | 98.2 | Very high | 98.3 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -75.2 | 124.5 | 176.3 | -62.6 | 172.7 | 0 | 0 | 0 | 109.1 | L159 T163 V166 T188 F191 N192 K193 V197 | L159-I195 HydrophobicContact CD2-CD1 4.35Å; T163-I195 HydrophobicContact CG2-CD1 4.03Å; T163-I195 HydrophobicContact CG2-CG2 4.3Å; T163-I195 WeakPolarHBondContact O-CG1 3.48Å; V166-I195 HydrophobicContact CG2-CG2 3.79Å; T188-I195 HydrophobicContact CG2-CB 3.55Å; T188-I195 HydrophobicContact CG2-CD1 4.21Å; T188-I195 HydrophobicContact CG2-CG1 4.48Å; T188-I195 HydrophobicContact CG2-CG2 3.31Å; F191-I195 HydrophobicContact CD1-CD1 3.76Å; F191-I195 HydrophobicContact CE1-CD1 4.29Å; N192-I195 HydrophobicContact CB-CD1 3.85Å; N192-I195 HydrophobicContact CB-CG1 3.94Å; N192-I195 PolarHBondContact O-N 3.08Å; K193-I195 VanDerWaalsContact C-N 3.33Å; I195-V197 PolarHBondContact O-N 2.82Å |
| 196 | I | 98.3 | Very high | 98.2 | Very high | 21 Ų | 21 | 38.5 Ų | 38.5 | 11% | 0.108 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 119 | 178.5 | -56.9 | 164.9 | 0 | 0 | 0 | 109.1 | I112 R164 L165 V166 E194 V198 D217 V218 L246 | I112-I196 HydrophobicContact CD1-CD1 4.44Å; I112-I196 HydrophobicContact CG2-CD1 4.34Å; R164-I196 PolarHBondContact O-N 3.41Å; L165-I196 CarbonylContact C-O 3.55Å; L165-I196 WeakPolarHBondContact CA-O 3.24Å; V166-I196 PolarHBondContact N-O 2.69Å; E194-I196 PolarHBondContact O-N 2.84Å; I196-V198 HydrophobicContact CG2-CG2 3.84Å; I196-D217 HydrophobicContact CG2-CB 4.03Å; I196-V218 HydrophobicContact CG2-CG2 3.69Å; I196-L246 HydrophobicContact CD1-CD1 3.64Å; I196-L246 HydrophobicContact CD1-CD2 4.46Å; I196-L246 HydrophobicContact CG1-CD1 4.39Å; I196-L246 HydrophobicContact CG1-CD2 4.39Å; I196-L246 HydrophobicContact CG2-CD2 4.05Å |
| 197 | V | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 115.2 | 172.9 | -178.6 | 0 | 0 | 0 | 0 | 109.3 | I168 A185 T188 I195 A216 D217 V218 | I168-V197 HydrophobicContact CD1-CG1 3.88Å; A185-V197 HydrophobicContact CB-CG1 4.32Å; A185-V197 HydrophobicContact CB-CG2 4.48Å; T188-V197 HydrophobicContact CG2-CG2 3.57Å; I195-V197 PolarHBondContact O-N 2.82Å; V197-A216 HydrophobicContact CG1-CB 4.47Å; V197-D217 PolarHBondContact N-OD2 3.33Å; V197-D217 WeakPolarHBondContact O-CA 3.49Å; V197-D217 PolarHBondContact O-N 3Å; V197-V218 PolarHBondContact O-N 3.16Å |
| 198 | V | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 131.5 | -179.8 | -173.6 | 0 | 0 | 0 | 0 | 109.5 | L109 L165 V166 L167 I168 I196 V218 L220 | L109-V198 HydrophobicContact CD1-CB 4.43Å; L109-V198 HydrophobicContact CD1-CG1 3.69Å; L109-V198 HydrophobicContact CD1-CG2 3.95Å; L109-V198 HydrophobicContact CD2-CG2 4.18Å; L165-V198 HydrophobicContact CD1-CG2 3.99Å; L165-V198 HydrophobicContact CD2-CG2 4.22Å; L165-V198 HydrophobicContact CG-CG2 3.99Å; V166-V198 PolarHBondContact O-N 3.1Å; L167-V198 HydrophobicContact CD1-CB 3.97Å; L167-V198 HydrophobicContact CD1-CG1 3.85Å; I168-V198 PolarHBondContact N-O 3.12Å; I196-V198 HydrophobicContact CG2-CG2 3.84Å; V198-V218 WeakPolarHBondContact CA-O 3.37Å; V198-V218 HydrophobicContact CG1-CB 4.28Å; V198-V218 HydrophobicContact CG1-CG1 4.49Å; V198-V218 HydrophobicContact CG2-CB 4.13Å; V198-V218 HydrophobicContact CG2-CG2 4.42Å; V198-L220 HydrophobicContact CG1-CB 3.93Å |
| 199 | V | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 117.3 | 171.4 | -178.4 | 0 | 0 | 0 | 0 | 109.6 | I168 I181 N201 P211 A216 V218 V219 L220 | I168-V199 HydrophobicContact CB-CG2 4.1Å; I168-V199 HydrophobicContact CD1-CG2 4.01Å; I168-V199 HydrophobicContact CG2-CG2 4.46Å; I168-V199 CarbonylContact O-C 3.58Å; I168-V199 WeakPolarHBondContact O-CA 3.39Å; I181-V199 HydrophobicContact CD1-CG1 4.04Å; I181-V199 HydrophobicContact CD1-CG2 4.37Å; I181-V199 HydrophobicContact CG1-CG2 4.26Å; I181-V199 HydrophobicContact CG2-CG2 3.84Å; V199-N201 PolarHBondContact O-N 2.87Å; V199-P211 HydrophobicContact CB-CB 3.55Å; V199-P211 HydrophobicContact CB-CG 3.8Å; V199-P211 HydrophobicContact CG1-CB 3.78Å; V199-P211 HydrophobicContact CG1-CG 3.58Å; V199-P211 HydrophobicContact CG2-CB 3.77Å; V199-P211 HydrophobicContact CG2-CG 4.5Å; V199-A216 HydrophobicContact CB-CB 4.41Å; V199-A216 HydrophobicContact CG2-CB 3.7Å; V199-V218 PolarHBondContact N-O 3.25Å; V199-V219 WeakPolarHBondContact O-CA 3.3Å; V199-L220 PolarHBondContact O-N 3.45Å |
| 200 | D | 98.8 | Very high | 98.2 | Very high | 10 Ų | 10 | 33.4 Ų | 33.4 | 5% | 0.053 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 109.6 | 164.4 | -170.4 | -25.5 | 0 | 0 | 0 | 108.7 | N129 I168 E169 T202 L220 | N129-D200 PolarHBondContact ND2-OD2 3.43Å; I168-D200 PolarHBondContact O-N 2.82Å; E169-D200 HydrophobicContact CB-CB 4.17Å; E169-D200 HydrophobicContact CG-CB 4.05Å; D200-T202 WeakPolarHBondContact OD1-CB 3.33Å; D200-T202 PolarHBondContact OD1-N 3.01Å; D200-T202 PolarHBondContact OD1-OG1 3.43Å; D200-L220 WeakPolarHBondContact CA-O 3.45Å; D200-L220 HydrophobicContact CB-CD2 3.78Å; D200-L220 WeakPolarHBondContact OD2-CD2 3.23Å |
| 201 | N | 98.7 | Very high | 98.2 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | trans | -103.9 | 14.3 | -173.9 | -162 | 39.9 | 0 | 0 | 0 | 112.3 | E91 V199 F203 M204 S205 Q209 P211 V219 L220 | E91-N201 PolarHBondContact OE1-ND2 2.8Å; V199-N201 PolarHBondContact O-N 2.87Å; N201-F203 VanDerWaalsContact C-N 3.28Å; N201-F203 PolarHBondContact O-N 3.08Å; N201-M204 PolarHBondContact O-N 2.81Å; N201-M204 VanDerWaalsContact O-N 3.11Å; N201-S205 PolarHBondContact ND2-O 2.86Å; N201-S205 PolarHBondContact O-N 3.21Å; N201-Q209 PolarHBondContact ND2-O 3.48Å; N201-Q209 WeakPolarHBondContact OD1-CB 3.36Å; N201-Q209 PolarHBondContact OD1-NE2 3.44Å; N201-P211 HydrophobicContact CB-CG 3.91Å; N201-P211 WeakPolarHBondContact ND2-CD 3.45Å; N201-V219 HydrophobicContact CB-CG1 3.52Å; N201-L220 PolarHBondContact N-O 2.73Å | ||
| 202 | T | 98.7 | Very high | 98.1 | Very high | 11 Ų | 11 | 21.4 Ų | 21.4 | 7% | 0.067 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -40.7 | -173.6 | -63.8 | 0 | 0 | 0 | 0 | 113 | D200 M204 S222 K225 | D200-T202 WeakPolarHBondContact OD1-CB 3.33Å; D200-T202 PolarHBondContact OD1-N 3.01Å; D200-T202 PolarHBondContact OD1-OG1 3.43Å; T202-M204 VanDerWaalsContact C-N 3.34Å; T202-M204 PolarHBondContact O-N 2.69Å; T202-S222 PolarHBondContact OG1-N 3.02Å; T202-K225 HydrophobicContact CG2-CB 3.84Å; T202-K225 HydrophobicContact CG2-CG 3.46Å; T202-K225 VanDerWaalsContact CG2-CG 3.46Å |
| 203 | F | 98.3 | Very high | 98.1 | Very high | 7 Ų | 7 | 22.5 Ų | 22.5 | 3% | 0.031 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -26.9 | -177.5 | -96.8 | 37.7 | 0 | 0 | 0 | 113.7 | P171 N173 M176 N201 S325 M327 L355 | P171-F203 HydrophobicContact CB-CD2 4.33Å; N173-F203 HydrophobicContact CB-CE1 3.66Å; N173-F203 HydrophobicContact CB-CE2 4.25Å; N173-F203 HydrophobicContact CB-CZ 3.47Å; N173-F203 VanDerWaalsContact CB-CZ 3.47Å; M176-F203 HydrophobicContact CE-CD2 4.48Å; M176-F203 HydrophobicContact SD-CD2 3.64Å; M176-F203 HydrophobicContact SD-CE2 3.51Å; M176-F203 VanDerWaalsContact SD-CE2 3.51Å; N201-F203 VanDerWaalsContact C-N 3.28Å; N201-F203 PolarHBondContact O-N 3.08Å; F203-S325 WeakPolarHBondContact O-CB 3.48Å; F203-S325 PolarHBondContact O-OG 3.26Å; F203-M327 HydrophobicContact CD1-CG 4.44Å; F203-M327 HydrophobicContact CD2-CB 3.98Å; F203-M327 HydrophobicContact CD2-CG 3.77Å; F203-M327 HydrophobicContact CE1-CE 4.39Å; F203-M327 HydrophobicContact CE2-CB 3.93Å; F203-M327 HydrophobicContact CE2-CE 4.22Å; F203-M327 HydrophobicContact CE2-CG 3.87Å; F203-M327 HydrophobicContact CG-CG 4.07Å; F203-M327 HydrophobicContact CZ-CE 3.88Å; F203-M327 HydrophobicContact CZ-CG 4.25Å; F203-L355 HydrophobicContact CD1-CD1 4.14Å; F203-L355 HydrophobicContact CD1-CD2 4.25Å; F203-L355 HydrophobicContact CE1-CD1 4.08Å; F203-L355 HydrophobicContact CE1-CD2 3.39Å; F203-L355 HydrophobicContact CE1-CG 4.39Å; F203-L355 HydrophobicContact CZ-CD2 4.01Å |
| 204 | M | 98.4 | Very high | 98.2 | Very high | 1 Ų | 1 | 14.9 Ų | 14.9 | 1% | 0.005 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | -25.3 | -175.7 | -64 | -51.6 | -66.5 | 0 | 0 | 112.9 | P171 N201 T202 F208 Q209 M321 G323 | P171-M204 WeakPolarHBondContact CD-SD 3.42Å; P171-M204 HydrophobicContact CG-CG 4.33Å; P171-M204 HydrophobicContact CG-SD 3.72Å; N201-M204 PolarHBondContact O-N 2.81Å; N201-M204 VanDerWaalsContact O-N 3.11Å; T202-M204 VanDerWaalsContact C-N 3.34Å; T202-M204 PolarHBondContact O-N 2.69Å; M204-F208 HydrophobicContact CB-CB 4.46Å; M204-F208 HydrophobicContact CE-CB 3.52Å; M204-F208 HydrophobicContact CE-CG 4.46Å; M204-Q209 HydrophobicContact CB-CB 3.67Å; M204-Q209 HydrophobicContact CG-CB 3.98Å; M204-M321 HydrophobicContact CE-CB 4.44Å; M204-M321 HydrophobicContact CE-CE 3.24Å; M204-M321 HydrophobicContact CE-CG 4.27Å; M204-M321 HydrophobicContact SD-CE 3.65Å; M204-G323 VanDerWaalsContact CE-O 3.25Å; M204-G323 WeakPolarHBondContact CE-O 3.46Å |
| 205 | S | 98.1 | Very high | 98.3 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | 58.3 | 170.7 | -161.6 | 81.1 | 0 | 0 | 0 | 0 | 112.5 | N201 Y207 F208 Q209 | N201-S205 PolarHBondContact ND2-O 2.86Å; N201-S205 PolarHBondContact O-N 3.21Å; S205-Y207 PolarHBondContact O-N 3.49Å; S205-Y207 VanDerWaalsContact OG-CB 3.29Å; S205-Y207 WeakPolarHBondContact OG-CB 3.37Å; S205-Y207 PolarHBondContact OG-N 3.12Å; S205-Y207 VanDerWaalsContact OG-N 3.12Å; S205-F208 PolarHBondContact O-N 3.26Å; S205-Q209 PolarHBondContact O-N 3.1Å |
| 206 | S | 97.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -62.4 | -12 | 172 | -45.7 | 0 | 0 | 0 | 0 | 113.3 | I29 E91 M227 | I29-S206 WeakPolarHBondContact CD1-O 3.2Å; E91-S206 VanDerWaalsContact CD-OG 3.26Å; E91-S206 WeakPolarHBondContact CG-OG 3.42Å; E91-S206 WeakPolarHBondContact OE1-CA 3.25Å; E91-S206 VanDerWaalsContact OE1-CB 3.23Å; E91-S206 WeakPolarHBondContact OE1-CB 3.48Å; E91-S206 PolarHBondContact OE1-OG 2.82Å; S206-M227 VanDerWaalsContact OG-CE 3.24Å; S206-M227 WeakPolarHBondContact OG-CE 3.29Å |
| 207 | Y | 98.3 | Very high | 98.3 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -76 | -39.6 | -177.2 | -161.2 | -105.5 | 0 | 0 | 0 | 113.4 | I29 D30 S205 P277 M280 K281 | I29-Y207 HydrophobicContact CD1-CD2 3.93Å; I29-Y207 HydrophobicContact CD1-CE2 4.49Å; I29-Y207 HydrophobicContact CG1-CD2 4.17Å; I29-Y207 HydrophobicContact CG1-CE2 4.41Å; I29-Y207 HydrophobicContact CG2-CD2 4.11Å; I29-Y207 HydrophobicContact CG2-CE2 3.58Å; D30-Y207 WeakPolarHBondContact OD1-CE2 3.27Å; D30-Y207 PolarHBondContact OD1-OH 3.06Å; S205-Y207 PolarHBondContact O-N 3.49Å; S205-Y207 VanDerWaalsContact OG-CB 3.29Å; S205-Y207 WeakPolarHBondContact OG-CB 3.37Å; S205-Y207 PolarHBondContact OG-N 3.12Å; S205-Y207 VanDerWaalsContact OG-N 3.12Å; Y207-P277 HydrophobicContact CD2-CB 4.29Å; Y207-P277 HydrophobicContact CD2-CG 4.33Å; Y207-P277 HydrophobicContact CE2-CB 3.53Å; Y207-P277 HydrophobicContact CE2-CG 3.86Å; Y207-M280 HydrophobicContact CD1-CB 3.68Å; Y207-M280 HydrophobicContact CD1-CG 4.33Å; Y207-M280 HydrophobicContact CE1-CB 4.39Å; Y207-M280 HydrophobicContact CG-CB 4.14Å; Y207-M280 HydrophobicContact CG-CG 4.32Å; Y207-K281 HydrophobicContact CE1-CG 4.27Å; Y207-K281 WeakPolarHBondContact OH-CE 3.43Å; Y207-K281 PolarHBondContact OH-NZ 2.92Å |
| 208 | F | 98.4 | Very high | 98.3 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -109.8 | -8.4 | -173.1 | -67.7 | -42.9 | 0 | 0 | 0 | 114.6 | L23 M204 S205 M280 M284 R322 G323 F324 | L23-F208 HydrophobicContact CD1-CE1 3.76Å; M204-F208 HydrophobicContact CB-CB 4.46Å; M204-F208 HydrophobicContact CE-CB 3.52Å; M204-F208 HydrophobicContact CE-CG 4.46Å; S205-F208 PolarHBondContact O-N 3.26Å; F208-M280 HydrophobicContact CD2-CB 4.4Å; F208-M280 HydrophobicContact CD2-CE 3.56Å; F208-M280 HydrophobicContact CE2-CB 3.66Å; F208-M280 HydrophobicContact CE2-CE 3.56Å; F208-M280 HydrophobicContact CE2-CG 4.45Å; F208-M280 WeakPolarHBondContact CE2-O 3.26Å; F208-M280 HydrophobicContact CZ-CB 3.8Å; F208-M280 WeakPolarHBondContact CZ-O 3.37Å; F208-M284 HydrophobicContact CE1-SD 3.98Å; F208-M284 HydrophobicContact CE2-CB 4.21Å; F208-M284 HydrophobicContact CZ-CB 3.87Å; F208-M284 HydrophobicContact CZ-CG 4.32Å; F208-M284 HydrophobicContact CZ-SD 3.85Å; F208-R322 WeakPolarHBondContact O-CB 3.48Å; F208-R322 PolarHBondContact O-N 3.41Å; F208-G323 VanDerWaalsContact CD1-CA 3.49Å; F208-F324 WeakPolarHBondContact CE2-O 3.45Å |
| 209 | Q | 98.4 | Very high | 98.3 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 6% | 0.059 | C | C | . | . | trans | -155.7 | 137.9 | 176.8 | -172.9 | 172.2 | -97.1 | 0 | 0 | 109.6 | S170 N201 M204 S205 P211 | S170-Q209 PolarHBondContact O-NE2 3.25Å; N201-Q209 PolarHBondContact ND2-O 3.48Å; N201-Q209 WeakPolarHBondContact OD1-CB 3.36Å; N201-Q209 PolarHBondContact OD1-NE2 3.44Å; M204-Q209 HydrophobicContact CB-CB 3.67Å; M204-Q209 HydrophobicContact CG-CB 3.98Å; S205-Q209 PolarHBondContact O-N 3.1Å; Q209-P211 HydrophobicContact CG-CG 4.47Å | ||
| 210 | R | 98 | Very high | 98.3 | Very high | 24 Ų | 24 | 10 Ų | 10 | 9% | 0.091 | 6% | 0.06 | C | C | . | . | trans | -123.1 | 91.6 | 173.8 | -79.2 | -179.1 | 179.3 | 173.5 | -4.7 | 109.4 | F26 L90 L212 D213 H214 | F26-R210 HydrophobicContact CD2-CG 4.27Å; F26-R210 HydrophobicContact CE1-CB 4.1Å; F26-R210 HydrophobicContact CE1-CG 3.99Å; F26-R210 HydrophobicContact CE2-CB 4.39Å; F26-R210 HydrophobicContact CE2-CG 3.7Å; F26-R210 HydrophobicContact CZ-CB 3.76Å; F26-R210 HydrophobicContact CZ-CG 3.55Å; L90-R210 VanDerWaalsContact O-CZ 3.22Å; L90-R210 PolarHBondContact O-NE 2.92Å; L90-R210 PolarHBondContact O-NH2 3.22Å; R210-L212 PolarHBondContact O-N 2.81Å; R210-L212 VanDerWaalsContact O-N 3.13Å; R210-D213 HydrophobicContact CB-CB 4.43Å; R210-D213 WeakPolarHBondContact CB-OD2 3.45Å; R210-D213 WeakPolarHBondContact O-CB 3.49Å; R210-D213 PolarHBondContact O-N 2.94Å; R210-H214 PolarHBondContact O-CD2 3.1Å | ||
| 211 | P | 98.4 | Very high | 98.3 | Very high | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 6% | 0.057 | C | C | . | . | G | 310 helix | trans | -60.7 | -25.5 | -174.8 | -23.3 | 31.7 | 0 | 0 | 0 | 114.6 | I181 V199 N201 Q209 D213 H214 G215 A216 V219 | I181-P211 HydrophobicContact CD1-CB 4.23Å; I181-P211 HydrophobicContact CD1-CG 4.49Å; V199-P211 HydrophobicContact CB-CB 3.55Å; V199-P211 HydrophobicContact CB-CG 3.8Å; V199-P211 HydrophobicContact CG1-CB 3.78Å; V199-P211 HydrophobicContact CG1-CG 3.58Å; V199-P211 HydrophobicContact CG2-CB 3.77Å; V199-P211 HydrophobicContact CG2-CG 4.5Å; N201-P211 HydrophobicContact CB-CG 3.91Å; N201-P211 WeakPolarHBondContact ND2-CD 3.45Å; Q209-P211 HydrophobicContact CG-CG 4.47Å; P211-D213 PolarHBondContact O-N 3.26Å; P211-H214 CarbonylContact O-C 3.59Å; P211-H214 WeakPolarHBondContact O-CA 3.3Å; P211-H214 WeakPolarHBondContact O-CB 3.33Å; P211-H214 PolarHBondContact O-N 3.3Å; P211-G215 PolarHBondContact O-N 2.78Å; P211-A216 HydrophobicContact CB-CB 3.83Å; P211-A216 VanDerWaalsContact O-CB 3.31Å; P211-A216 WeakPolarHBondContact O-CB 3.47Å; P211-A216 PolarHBondContact O-N 2.68Å; P211-A216 VanDerWaalsContact O-N 3.15Å; P211-V219 HydrophobicContact CB-CG2 3.98Å; P211-V219 HydrophobicContact CG-CG1 4.19Å; P211-V219 HydrophobicContact CG-CG2 3.97Å |
| 212 | L | 97.9 | Very high | 98.3 | Very high | 10 Ų | 10 | 10.5 Ų | 10.5 | 5% | 0.052 | 6% | 0.064 | C | C | . | . | G | 310 helix | trans | -60.1 | -33.8 | 175.2 | -58.1 | 178 | 0 | 0 | 0 | 112 | E91 R210 H214 G215 A216 V219 V239 R241 | E91-L212 HydrophobicContact CB-CD1 4.31Å; R210-L212 PolarHBondContact O-N 2.81Å; R210-L212 VanDerWaalsContact O-N 3.13Å; L212-H214 PolarHBondContact O-N 2.83Å; L212-G215 PolarHBondContact O-N 2.89Å; L212-A216 WeakPolarHBondContact CD2-O 3.29Å; L212-V219 HydrophobicContact CD1-CG2 4.22Å; L212-V219 HydrophobicContact CD2-CG2 3.74Å; L212-V219 HydrophobicContact CG-CG2 3.55Å; L212-V239 HydrophobicContact CD1-CG1 4.22Å; L212-R241 HydrophobicContact CD1-CB 4.21Å; L212-R241 PolarHBondContact O-NH1 3.05Å |
| 213 | D | 97.5 | Very high | 98.3 | Very high | 66 Ų | 66 | 10 Ų | 10 | 35% | 0.353 | 6% | 0.061 | S | C | . | . | G | 310 helix | trans | -67.6 | -20.1 | 175.1 | -65.6 | -20 | 0 | 0 | 0 | 112.4 | R210 P211 R241 | R210-D213 HydrophobicContact CB-CB 4.43Å; R210-D213 WeakPolarHBondContact CB-OD2 3.45Å; R210-D213 WeakPolarHBondContact O-CB 3.49Å; R210-D213 PolarHBondContact O-N 2.94Å; P211-D213 PolarHBondContact O-N 3.26Å; D213-R241 IonicContact OD1-CZ 3.45Å; D213-R241 IonicContact OD1-NH1 3.91Å; D213-R241 PolarHBondContact OD1-NH1 3.5Å; D213-R241 VanDerWaalsContact OD1-NH1 3.1Å; D213-R241 IonicContact OD1-NH2 3.54Å; D213-R241 PolarHBondContact OD1-NH2 2.81Å |
| 214 | H | 98 | Very high | 98.3 | Very high | 19 Ų | 19 | 10.6 Ų | 10.6 | 9% | 0.088 | 7% | 0.065 | C | C | . | . | G | 310 helix | trans | -101.1 | 11.5 | -179.5 | -63.9 | -68.9 | 0 | 0 | 0 | 112.8 | I181 S182 R210 P211 L212 Q320 | I181-H214 HydrophobicContact CB-CB 3.79Å; I181-H214 HydrophobicContact CG2-CB 3.53Å; S182-H214 WeakPolarHBondContact CA-O 3.47Å; S182-H214 PolarHBondContact N-O 3.15Å; S182-H214 WeakPolarHBondContact OG-CA 3.4Å; S182-H214 WeakPolarHBondContact OG-CB 3.31Å; S182-H214 PolarHBondContact OG-ND1 3.49Å; S182-H214 PolarHBondContact OG-O 3.14Å; R210-H214 PolarHBondContact O-CD2 3.1Å; P211-H214 CarbonylContact O-C 3.59Å; P211-H214 WeakPolarHBondContact O-CA 3.3Å; P211-H214 WeakPolarHBondContact O-CB 3.33Å; P211-H214 PolarHBondContact O-N 3.3Å; L212-H214 PolarHBondContact O-N 2.83Å; H214-Q320 VanDerWaalsContact CE1-CB 3.48Å; H214-Q320 WeakPolarHBondContact CE1-CB 2.88Å; H214-Q320 WeakPolarHBondContact NE2-CA 3.11Å; H214-Q320 WeakPolarHBondContact NE2-CB 3.46Å |
| 215 | G | 97.3 | Very high | 98.3 | Very high | 33 Ų | 33 | 11.8 Ų | 11.8 | 34% | 0.34 | 7% | 0.07 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 89.3 | 8.5 | 175 | 0 | 0 | 0 | 0 | 0 | 114.8 | A185 H189 P211 L212 | A185-G215 WeakPolarHBondContact CB-O 3.2Å; H189-G215 PolarHBondContact CE1-O 3.48Å; H189-G215 VanDerWaalsContact CE1-O 3.28Å; P211-G215 PolarHBondContact O-N 2.78Å; L212-G215 PolarHBondContact O-N 2.89Å |
| 216 | A | 98.3 | Very high | 98.3 | Very high | 5 Ų | 5 | 11.9 Ų | 11.9 | 4% | 0.041 | 7% | 0.07 | C | C | . | . | trans | -63.7 | 146.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | I181 V197 V199 P211 L212 | I181-A216 HydrophobicContact CG2-CB 4.41Å; V197-A216 HydrophobicContact CG1-CB 4.47Å; V199-A216 HydrophobicContact CB-CB 4.41Å; V199-A216 HydrophobicContact CG2-CB 3.7Å; P211-A216 HydrophobicContact CB-CB 3.83Å; P211-A216 VanDerWaalsContact O-CB 3.31Å; P211-A216 WeakPolarHBondContact O-CB 3.47Å; P211-A216 PolarHBondContact O-N 2.68Å; P211-A216 VanDerWaalsContact O-N 3.15Å; L212-A216 WeakPolarHBondContact CD2-O 3.29Å | ||
| 217 | D | 97.9 | Very high | 98.4 | Very high | 22 Ų | 22 | 12 Ų | 12 | 12% | 0.118 | 7% | 0.071 | C | C | . | . | S | Bend | trans | -85.6 | -34.9 | 174.4 | -64.3 | -67 | 0 | 0 | 0 | 112.3 | H189 I196 V197 Q243 | H189-D217 IonicContact CD2-OD2 3.74Å; H189-D217 IonicContact CE1-OD1 3.19Å; H189-D217 IonicContact CE1-OD2 2.68Å; H189-D217 IonicContact NE2-OD1 3.3Å; H189-D217 IonicContact NE2-OD2 3.1Å; H189-D217 PolarHBondContact NE2-OD2 3.45Å; I196-D217 HydrophobicContact CG2-CB 4.03Å; V197-D217 PolarHBondContact N-OD2 3.33Å; V197-D217 WeakPolarHBondContact O-CA 3.49Å; V197-D217 PolarHBondContact O-N 3Å; D217-Q243 PolarHBondContact O-NE2 2.77Å; D217-Q243 PolarHBondContact O-OE1 3.03Å; D217-Q243 PolarHBondContact OD1-NE2 3.45Å |
| 218 | V | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 135.9 | -178.8 | -172 | 0 | 0 | 0 | 0 | 110.2 | L109 I196 V197 V198 V199 L238 V239 T240 L246 | L109-V218 HydrophobicContact CD2-CG1 4.27Å; L109-V218 HydrophobicContact CD2-CG2 4.19Å; I196-V218 HydrophobicContact CG2-CG2 3.69Å; V197-V218 PolarHBondContact O-N 3.16Å; V198-V218 WeakPolarHBondContact CA-O 3.37Å; V198-V218 HydrophobicContact CG1-CB 4.28Å; V198-V218 HydrophobicContact CG1-CG1 4.49Å; V198-V218 HydrophobicContact CG2-CB 4.13Å; V198-V218 HydrophobicContact CG2-CG2 4.42Å; V199-V218 PolarHBondContact N-O 3.25Å; V218-L238 HydrophobicContact CG1-CB 4.04Å; V218-L238 HydrophobicContact CG1-CD2 3.89Å; V218-L238 HydrophobicContact CG1-CG 4.49Å; V218-V239 WeakPolarHBondContact CA-O 3.37Å; V218-T240 HydrophobicContact CG2-CG2 4.02Å; V218-L246 HydrophobicContact CG2-CD2 3.6Å |
| 219 | V | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 125.1 | 163.5 | -172.8 | 0 | 0 | 0 | 0 | 108.8 | V199 N201 P211 L212 H221 L238 V239 | V199-V219 WeakPolarHBondContact O-CA 3.3Å; N201-V219 HydrophobicContact CB-CG1 3.52Å; P211-V219 HydrophobicContact CB-CG2 3.98Å; P211-V219 HydrophobicContact CG-CG1 4.19Å; P211-V219 HydrophobicContact CG-CG2 3.97Å; L212-V219 HydrophobicContact CD1-CG2 4.22Å; L212-V219 HydrophobicContact CD2-CG2 3.74Å; L212-V219 HydrophobicContact CG-CG2 3.55Å; V219-H221 VanDerWaalsContact CG1-NE2 3.31Å; V219-H221 WeakPolarHBondContact CG1-NE2 3.48Å; V219-L238 CarbonylContact O-C 3.55Å; V219-L238 VanDerWaalsContact O-CA 3.32Å; V219-L238 WeakPolarHBondContact O-CA 3.12Å; V219-V239 HydrophobicContact CB-CB 4.35Å; V219-V239 PolarHBondContact N-O 2.81Å; V219-V239 PolarHBondContact O-N 3.32Å |
| 220 | L | 98.8 | Very high | 98.4 | Very high | 2 Ų | 2 | 14.2 Ų | 14.2 | 1% | 0.01 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 138.5 | 171.8 | 178.3 | 142.5 | 0 | 0 | 0 | 109.6 | A105 L106 L109 V198 V199 D200 N201 A237 L238 | A105-L220 HydrophobicContact CB-CD1 4.25Å; L106-L220 HydrophobicContact CB-CD1 4.02Å; L109-L220 HydrophobicContact CD1-CD1 3.91Å; V198-L220 HydrophobicContact CG1-CB 3.93Å; V199-L220 PolarHBondContact O-N 3.45Å; D200-L220 WeakPolarHBondContact CA-O 3.45Å; D200-L220 HydrophobicContact CB-CD2 3.78Å; D200-L220 WeakPolarHBondContact OD2-CD2 3.23Å; N201-L220 PolarHBondContact N-O 2.73Å; L220-A237 WeakPolarHBondContact CA-O 3.41Å; L220-L238 HydrophobicContact CB-CD2 3.97Å; L220-L238 HydrophobicContact CD1-CD2 3.84Å; L220-L238 HydrophobicContact CG-CD2 4.1Å |
| 221 | H | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 141.9 | 172.5 | -74 | -85.8 | 0 | 0 | 0 | 111.6 | E91 V219 L223 G236 A237 | E91-H221 IonicContact OE1-CD2 2.95Å; E91-H221 IonicContact OE1-CE1 2.75Å; E91-H221 PolarHBondContact OE1-CE1 3.29Å; E91-H221 VanDerWaalsContact OE1-CE1 3.28Å; E91-H221 IonicContact OE1-NE2 3.92Å; E91-H221 PolarHBondContact OE1-NE2 3.05Å; V219-H221 VanDerWaalsContact CG1-NE2 3.31Å; V219-H221 WeakPolarHBondContact CG1-NE2 3.48Å; H221-L223 HydrophobicContact CB-CD2 3.84Å; H221-L223 HydrophobicContact CB-CG 4.47Å; H221-G236 CarbonylContact O-C 3.52Å; H221-G236 WeakPolarHBondContact O-CA 3.47Å; H221-A237 HydrophobicContact CB-CB 4.32Å; H221-A237 PolarHBondContact N-O 2.82Å; H221-A237 PolarHBondContact O-N 3.43Å |
| 222 | S | 98.7 | Very high | 98.4 | Very high | 21 Ų | 21 | 19.8 Ų | 19.8 | 15% | 0.147 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 99.7 | 149.5 | 179.2 | 0 | 0 | 0 | 0 | 108.8 | T202 T224 K225 | T202-S222 PolarHBondContact OG1-N 3.02Å; S222-T224 PolarHBondContact O-N 3.34Å; S222-T224 WeakPolarHBondContact OG-CB 3.35Å; S222-T224 PolarHBondContact OG-OG1 3.21Å; S222-K225 PolarHBondContact O-N 3.11Å; S222-K225 VanDerWaalsContact O-N 3.17Å |
| 223 | L | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -17.9 | 178.8 | -60.7 | -177.8 | 0 | 0 | 0 | 113 | L83 I87 V98 H221 K225 M227 N228 M235 A237 | L83-L223 HydrophobicContact CD2-CD1 4.43Å; I87-L223 HydrophobicContact CD1-CD1 3.65Å; I87-L223 HydrophobicContact CD1-CD2 3.83Å; I87-L223 HydrophobicContact CD1-CG 4.4Å; V98-L223 HydrophobicContact CG1-CD1 3.97Å; H221-L223 HydrophobicContact CB-CD2 3.84Å; H221-L223 HydrophobicContact CB-CG 4.47Å; L223-K225 PolarHBondContact O-N 2.88Å; L223-M227 HydrophobicContact CB-CB 4.44Å; L223-M227 HydrophobicContact CD2-CB 3.62Å; L223-M227 HydrophobicContact CD2-CE 4.38Å; L223-M227 HydrophobicContact CD2-CG 3.77Å; L223-N228 WeakPolarHBondContact O-CB 3.36Å; L223-N228 PolarHBondContact O-N 2.89Å; L223-M235 HydrophobicContact CB-CB 3.77Å; L223-M235 HydrophobicContact CD1-CB 4.12Å; L223-M235 HydrophobicContact CD1-CE 4.09Å; L223-M235 HydrophobicContact CG-CB 4.44Å; L223-M235 PolarHBondContact N-O 3.47Å; L223-A237 HydrophobicContact CD1-CB 3.97Å; L223-A237 HydrophobicContact CD2-CB 3.99Å; L223-A237 HydrophobicContact CG-CB 4Å |
| 224 | T | 98.7 | Very high | 98.5 | Very high | 20 Ų | 20 | 20.6 Ų | 20.6 | 12% | 0.123 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -46.8 | -30 | 167.8 | -49.8 | 0 | 0 | 0 | 0 | 113.3 | S222 L233 V234 M235 | S222-T224 PolarHBondContact O-N 3.34Å; S222-T224 WeakPolarHBondContact OG-CB 3.35Å; S222-T224 PolarHBondContact OG-OG1 3.21Å; T224-L233 WeakPolarHBondContact CG2-O 3.31Å; T224-V234 HydrophobicContact CG2-CG2 4.29Å; T224-V234 WeakPolarHBondContact OG1-CA 3.45Å; T224-M235 PolarHBondContact N-O 2.85Å; T224-M235 PolarHBondContact OG1-N 3.17Å; T224-M235 PolarHBondContact OG1-O 3.25Å |
| 225 | K | 98.7 | Very high | 98.5 | Very high | 26 Ų | 26 | 19.7 Ų | 19.7 | 11% | 0.113 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -131.4 | -171 | -46.4 | -47.2 | 179.4 | 76.3 | 0 | 110.9 | T202 S222 L223 M227 N228 G229 S354 L355 | T202-K225 HydrophobicContact CG2-CB 3.84Å; T202-K225 HydrophobicContact CG2-CG 3.46Å; T202-K225 VanDerWaalsContact CG2-CG 3.46Å; S222-K225 PolarHBondContact O-N 3.11Å; S222-K225 VanDerWaalsContact O-N 3.17Å; L223-K225 PolarHBondContact O-N 2.88Å; K225-M227 VanDerWaalsContact C-N 3.27Å; K225-M227 PolarHBondContact O-N 3.3Å; K225-M227 VanDerWaalsContact O-N 3.14Å; K225-N228 PolarHBondContact O-N 2.94Å; K225-G229 WeakPolarHBondContact O-CA 3.25Å; K225-G229 PolarHBondContact O-N 3.03Å; K225-S354 WeakPolarHBondContact CD-OG 3.07Å; K225-S354 WeakPolarHBondContact CE-OG 3.39Å; K225-L355 WeakPolarHBondContact CA-O 3.33Å; K225-L355 HydrophobicContact CB-CD1 3.81Å; K225-L355 HydrophobicContact CB-CG 4.45Å; K225-L355 WeakPolarHBondContact CB-O 3.37Å; K225-L355 HydrophobicContact CD-CD1 4.3Å; K225-L355 HydrophobicContact CD-CG 4.02Å; K225-L355 VanDerWaalsContact CD-O 3.31Å; K225-L355 WeakPolarHBondContact CD-O 3.33Å; K225-L355 HydrophobicContact CG-CD1 3.9Å; K225-L355 HydrophobicContact CG-CG 4.15Å |
| 226 | Y | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 0% | 0.004 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -33.8 | -174.3 | -74 | -66.8 | 0 | 0 | 0 | 115.6 | L276 R279 M280 H283 G326 M327 L355 G356 | Y226-L276 WeakPolarHBondContact O-CD1 3.42Å; Y226-R279 PolarHBondContact O-NH1 2.94Å; Y226-R279 PolarHBondContact O-NH2 2.92Å; Y226-R279 VanDerWaalsContact O-NH2 3.07Å; Y226-M280 HydrophobicContact CD1-CE 3.91Å; Y226-M280 HydrophobicContact CD1-SD 3.37Å; Y226-M280 WeakPolarHBondContact CD1-SD 3.43Å; Y226-M280 HydrophobicContact CD2-CE 4.38Å; Y226-M280 HydrophobicContact CE1-CE 4.24Å; Y226-M280 HydrophobicContact CE1-SD 4.09Å; Y226-M280 HydrophobicContact CG-CE 3.98Å; Y226-M280 HydrophobicContact CG-SD 3.69Å; Y226-H283 AromaticContact CD1-CD2 3.8Å; Y226-H283 AromaticContact CD1-NE2 3.9Å; Y226-H283 HydrophobicContact CE1-CB 4.37Å; Y226-H283 AromaticContact CE1-CD2 3.55Å; Y226-H283 AromaticContact CE1-CE1 3.99Å; Y226-H283 AromaticContact CE1-CG 3.78Å; Y226-H283 AromaticContact CE1-NE2 3.71Å; Y226-G326 WeakPolarHBondContact OH-CA 3.38Å; Y226-G326 PolarHBondContact OH-N 3.06Å; Y226-M327 HydrophobicContact CE2-CG 4.04Å; Y226-M327 HydrophobicContact CE2-SD 4.03Å; Y226-M327 PolarHBondContact OH-SD 2.97Å; Y226-L355 HydrophobicContact CD2-CD1 4.3Å; Y226-L355 HydrophobicContact CE2-CD1 3.97Å; Y226-G356 WeakPolarHBondContact CA-O 3.38Å; Y226-G356 VanDerWaalsContact CD1-CA 3.48Å |
| 227 | M | 98.7 | Very high | 98.6 | Very high | 2 Ų | 2 | 17.9 Ų | 17.9 | 1% | 0.01 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -50 | -177.5 | -66 | -64.9 | -83 | 0 | 0 | 111.1 | I87 L90 S206 L223 K225 L273 L276 R279 | I87-M227 HydrophobicContact CG1-CE 4.27Å; I87-M227 HydrophobicContact CG2-CE 4.35Å; L90-M227 HydrophobicContact CD1-CE 4.21Å; S206-M227 VanDerWaalsContact OG-CE 3.24Å; S206-M227 WeakPolarHBondContact OG-CE 3.29Å; L223-M227 HydrophobicContact CB-CB 4.44Å; L223-M227 HydrophobicContact CD2-CB 3.62Å; L223-M227 HydrophobicContact CD2-CE 4.38Å; L223-M227 HydrophobicContact CD2-CG 3.77Å; K225-M227 VanDerWaalsContact C-N 3.27Å; K225-M227 PolarHBondContact O-N 3.3Å; K225-M227 VanDerWaalsContact O-N 3.14Å; M227-L273 HydrophobicContact CB-CD2 4.08Å; M227-L273 HydrophobicContact CE-CD2 3.7Å; M227-L273 VanDerWaalsContact O-CD2 3.31Å; M227-L273 WeakPolarHBondContact O-CD2 3.35Å; M227-L273 HydrophobicContact SD-CD2 4.07Å; M227-L276 HydrophobicContact SD-CD1 4.48Å; M227-L276 HydrophobicContact SD-CD2 3.91Å; M227-R279 PolarHBondContact O-NH2 2.99Å |
| 228 | N | 98.8 | Very high | 98.7 | Very high | 1 Ų | 1 | 16.9 Ų | 16.9 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -58.9 | 166.4 | 177 | 51.9 | 0 | 0 | 0 | 111.4 | L223 K225 H230 D232 L233 G272 R279 | L223-N228 WeakPolarHBondContact O-CB 3.36Å; L223-N228 PolarHBondContact O-N 2.89Å; K225-N228 PolarHBondContact O-N 2.94Å; N228-H230 VanDerWaalsContact C-N 3.33Å; N228-H230 PolarHBondContact ND2-N 3.05Å; N228-H230 PolarHBondContact O-CE1 3.3Å; N228-H230 PolarHBondContact O-N 2.8Å; N228-H230 PolarHBondContact O-ND1 2.78Å; N228-D232 PolarHBondContact ND2-OD1 2.86Å; N228-L233 HydrophobicContact CB-CD1 3.94Å; N228-L233 HydrophobicContact CB-CD2 4.11Å; N228-L233 HydrophobicContact CB-CG 4.05Å; N228-L233 VanDerWaalsContact CG-CD2 3.5Å; N228-L233 WeakPolarHBondContact OD1-CD2 3.37Å; N228-G272 VanDerWaalsContact O-CA 3.31Å; N228-G272 WeakPolarHBondContact O-CA 3.49Å; N228-R279 PolarHBondContact O-NH2 2.89Å |
| 229 | G | 98.6 | Very high | 98.7 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 10% | 0.097 | C | C | . | . | trans | 75.1 | 12.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | K225 G356 G357 Y358 | K225-G229 WeakPolarHBondContact O-CA 3.25Å; K225-G229 PolarHBondContact O-N 3.03Å; G229-G356 WeakPolarHBondContact CA-O 3.38Å; G229-G357 CarbonylContact O-C 3.56Å; G229-Y358 PolarHBondContact O-N 3.37Å | ||
| 230 | H | 98.7 | Very high | 98.6 | Very high | 46 Ų | 46 | 16.9 Ų | 16.9 | 21% | 0.213 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -125.4 | 10.1 | -176.2 | -62.5 | 79.4 | 0 | 0 | 0 | 114.1 | N228 D232 Y358 | N228-H230 VanDerWaalsContact C-N 3.33Å; N228-H230 PolarHBondContact ND2-N 3.05Å; N228-H230 PolarHBondContact O-CE1 3.3Å; N228-H230 PolarHBondContact O-N 2.8Å; N228-H230 PolarHBondContact O-ND1 2.78Å; H230-D232 PolarHBondContact O-N 2.56Å; H230-Y358 HydrophobicContact CB-CD1 4.39Å; H230-Y358 HydrophobicContact CB-CE1 4.28Å |
| 231 | S | 98.2 | Very high | 98.2 | Very high | 55 Ų | 55 | 19.4 Ų | 19.4 | 39% | 0.385 | 11% | 0.106 | S | C | . | . | S | Bend | trans | 52.9 | 29.1 | 171.4 | -60.2 | 0 | 0 | 0 | 0 | 115.8 | G357 E359 | S231-G357 WeakPolarHBondContact OG-CA 3.47Å; S231-E359 WeakPolarHBondContact CB-OE1 3.43Å; S231-E359 PolarHBondContact OG-OE1 3.16Å; S231-E359 PolarHBondContact OG-OE2 2.99Å |
| 232 | D | 98.3 | Very high | 97.4 | Very high | 86 Ų | 86 | 26.1 Ų | 26.1 | 46% | 0.46 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -126.5 | 5 | -170 | 61.4 | -7.7 | 0 | 0 | 0 | 114.3 | N228 H230 | N228-D232 PolarHBondContact ND2-OD1 2.86Å; H230-D232 PolarHBondContact O-N 2.56Å |
| 233 | L | 98.1 | Very high | 96.5 | Very high | 11 Ų | 11 | 27.3 Ų | 27.3 | 6% | 0.058 | 15% | 0.145 | C | C | . | . | trans | -148.9 | 161.7 | 177.1 | 65.1 | 81.8 | 0 | 0 | 0 | 112.5 | T224 N228 M235 D265 L268 C269 | T224-L233 WeakPolarHBondContact CG2-O 3.31Å; N228-L233 HydrophobicContact CB-CD1 3.94Å; N228-L233 HydrophobicContact CB-CD2 4.11Å; N228-L233 HydrophobicContact CB-CG 4.05Å; N228-L233 VanDerWaalsContact CG-CD2 3.5Å; N228-L233 WeakPolarHBondContact OD1-CD2 3.37Å; L233-M235 HydrophobicContact CD1-CB 3.85Å; L233-M235 HydrophobicContact CD1-CG 3.79Å; L233-M235 HydrophobicContact CD1-SD 3.98Å; L233-M235 HydrophobicContact CD2-SD 4.4Å; L233-D265 HydrophobicContact CB-CB 4.38Å; L233-L268 HydrophobicContact CD2-CB 3.72Å; L233-C269 HydrophobicContact CD2-CB 3.81Å | ||
| 234 | V | 98.7 | Very high | 95.9 | Very high | 82 Ų | 82 | 30.8 Ų | 30.8 | 50% | 0.497 | 17% | 0.17 | S | C | . | . | trans | -122.8 | 119 | 171.7 | -179.9 | 0 | 0 | 0 | 0 | 109.2 | S100 T224 | S100-V234 CarbonylContact C-O 3.59Å; S100-V234 CarbonylContact O-C 3.53Å; T224-V234 HydrophobicContact CG2-CG2 4.29Å; T224-V234 WeakPolarHBondContact OG1-CA 3.45Å | ||
| 235 | M | 98.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -151.7 | 162.4 | -177.8 | -75.2 | -178.1 | 65.5 | 0 | 0 | 111 | L83 V98 F99 G102 L223 T224 L233 P261 D265 C269 | L83-M235 HydrophobicContact CD2-CE 3.42Å; L83-M235 VanDerWaalsContact CD2-CE 3.42Å; L83-M235 HydrophobicContact CD2-SD 4.49Å; V98-M235 HydrophobicContact CB-CE 4.16Å; V98-M235 HydrophobicContact CG2-CE 4.28Å; F99-M235 WeakPolarHBondContact O-CA 3.37Å; G102-M235 PolarHBondContact N-O 2.7Å; L223-M235 HydrophobicContact CB-CB 3.77Å; L223-M235 HydrophobicContact CD1-CB 4.12Å; L223-M235 HydrophobicContact CD1-CE 4.09Å; L223-M235 HydrophobicContact CG-CB 4.44Å; L223-M235 PolarHBondContact N-O 3.47Å; T224-M235 PolarHBondContact N-O 2.85Å; T224-M235 PolarHBondContact OG1-N 3.17Å; T224-M235 PolarHBondContact OG1-O 3.25Å; L233-M235 HydrophobicContact CD1-CB 3.85Å; L233-M235 HydrophobicContact CD1-CG 3.79Å; L233-M235 HydrophobicContact CD1-SD 3.98Å; L233-M235 HydrophobicContact CD2-SD 4.4Å; M235-P261 HydrophobicContact CE-CB 3.69Å; M235-P261 HydrophobicContact CE-CG 3.7Å; M235-P261 HydrophobicContact CG-CB 3.97Å; M235-P261 HydrophobicContact SD-CB 4.11Å; M235-D265 HydrophobicContact CG-CB 4.25Å; M235-D265 VanDerWaalsContact SD-C 3.58Å; M235-D265 HydrophobicContact SD-CB 3.61Å; M235-C269 HydrophobicContact SD-CB 4.06Å | ||
| 236 | G | 98.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 165.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V98 F99 S101 H221 | V98-G236 CarbonylContact C-O 3.58Å; V98-G236 VanDerWaalsContact CA-O 3.28Å; V98-G236 WeakPolarHBondContact CA-O 3.46Å; F99-G236 PolarHBondContact N-O 2.64Å; F99-G236 PolarHBondContact O-N 2.71Å; S101-G236 VanDerWaalsContact C-N 3.33Å; S101-G236 WeakPolarHBondContact O-CA 3.31Å; H221-G236 CarbonylContact O-C 3.52Å; H221-G236 WeakPolarHBondContact O-CA 3.47Å |
| 237 | A | 98.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 152.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | I87 C97 V98 L220 H221 L223 | I87-A237 HydrophobicContact CD1-CB 4.41Å; C97-A237 CarbonylContact O-C 3.55Å; C97-A237 VanDerWaalsContact O-CA 3.3Å; C97-A237 WeakPolarHBondContact O-CA 3.44Å; V98-A237 HydrophobicContact CG1-CB 4.11Å; L220-A237 WeakPolarHBondContact CA-O 3.41Å; H221-A237 HydrophobicContact CB-CB 4.32Å; H221-A237 PolarHBondContact N-O 2.82Å; H221-A237 PolarHBondContact O-N 3.43Å; L223-A237 HydrophobicContact CD1-CB 3.97Å; L223-A237 HydrophobicContact CD2-CB 3.99Å; L223-A237 HydrophobicContact CG-CB 4Å |
| 238 | L | 98.8 | Very high | 95.2 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 131.2 | 164.6 | -60.9 | 175 | 0 | 0 | 0 | 108.1 | C96 C97 F99 A105 T108 L109 V218 V219 L220 L250 | C96-L238 CarbonylContact C-O 3.6Å; C96-L238 VanDerWaalsContact CA-O 3.26Å; C96-L238 WeakPolarHBondContact CA-O 3.46Å; C97-L238 PolarHBondContact N-O 3.23Å; C97-L238 PolarHBondContact O-N 2.74Å; F99-L238 HydrophobicContact CD2-CG 4.37Å; F99-L238 HydrophobicContact CE2-CB 4.07Å; F99-L238 HydrophobicContact CE2-CD1 3.65Å; F99-L238 HydrophobicContact CE2-CG 3.64Å; F99-L238 HydrophobicContact CZ-CD1 3.9Å; F99-L238 HydrophobicContact CZ-CG 4.39Å; A105-L238 HydrophobicContact CB-CD2 4.05Å; A105-L238 HydrophobicContact CB-CG 4.02Å; T108-L238 HydrophobicContact CG2-CD1 4.2Å; L109-L238 HydrophobicContact CD1-CD1 4.49Å; L109-L238 HydrophobicContact CD1-CD2 3.61Å; L109-L238 HydrophobicContact CD2-CD1 4.14Å; L109-L238 HydrophobicContact CD2-CD2 4.35Å; L109-L238 HydrophobicContact CG-CD1 3.85Å; L109-L238 HydrophobicContact CG-CD2 3.89Å; V218-L238 HydrophobicContact CG1-CB 4.04Å; V218-L238 HydrophobicContact CG1-CD2 3.89Å; V218-L238 HydrophobicContact CG1-CG 4.49Å; V219-L238 CarbonylContact O-C 3.55Å; V219-L238 VanDerWaalsContact O-CA 3.32Å; V219-L238 WeakPolarHBondContact O-CA 3.12Å; L220-L238 HydrophobicContact CB-CD2 3.97Å; L220-L238 HydrophobicContact CD1-CD2 3.84Å; L220-L238 HydrophobicContact CG-CD2 4.1Å; L238-L250 HydrophobicContact CB-CD1 4.23Å; L238-L250 HydrophobicContact CD1-CD1 4.22Å; L238-L250 HydrophobicContact CD1-CD2 3.51Å; L238-L250 HydrophobicContact CD1-CG 4.45Å |
| 239 | V | 98.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 134.8 | 178.3 | -168.7 | 0 | 0 | 0 | 0 | 109.8 | I87 E91 D95 C96 L212 V218 V219 | I87-V239 HydrophobicContact CG2-CG2 3.65Å; E91-V239 HydrophobicContact CB-CB 4.38Å; E91-V239 HydrophobicContact CB-CG1 3.89Å; E91-V239 HydrophobicContact CG-CB 4.3Å; E91-V239 HydrophobicContact CG-CG1 4.31Å; E91-V239 HydrophobicContact CG-CG2 4.04Å; D95-V239 WeakPolarHBondContact O-CA 3.47Å; D95-V239 WeakPolarHBondContact O-CG1 3.47Å; C96-V239 HydrophobicContact CB-CG2 4.07Å; L212-V239 HydrophobicContact CD1-CG1 4.22Å; V218-V239 WeakPolarHBondContact CA-O 3.37Å; V219-V239 HydrophobicContact CB-CB 4.35Å; V219-V239 PolarHBondContact N-O 2.81Å; V219-V239 PolarHBondContact O-N 3.32Å |
| 240 | T | 97.7 | Very high | 95.1 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.006 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 157.5 | 176.6 | 56 | 0 | 0 | 0 | 0 | 110.4 | G93 H94 D95 V218 L246 L250 | G93-T240 CarbonylContact C-O 3.48Å; G93-T240 WeakPolarHBondContact CA-O 3.36Å; H94-T240 PolarHBondContact N-O 3.3Å; D95-T240 PolarHBondContact N-O 2.85Å; D95-T240 PolarHBondContact O-N 3.47Å; V218-T240 HydrophobicContact CG2-CG2 4.02Å; T240-L246 HydrophobicContact CG2-CD2 4.13Å; T240-L246 HydrophobicContact CG2-CG 4.37Å; T240-L250 HydrophobicContact CG2-CD1 3.91Å |
| 241 | R | 90.9 | Very high | 94.9 | Very high | 55 Ų | 55 | 46.3 Ų | 46.3 | 21% | 0.208 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -103.5 | -87 | 173.7 | -168.7 | 179.9 | -72.1 | 166.3 | -4.4 | 110.7 | D92 H94 L212 D213 | D92-R241 VanDerWaalsContact O-CZ 3.31Å; D92-R241 PolarHBondContact O-NE 2.79Å; D92-R241 PolarHBondContact O-NH2 2.86Å; D92-R241 IonicContact OD2-CZ 2.73Å; D92-R241 IonicContact OD2-NE 3.47Å; D92-R241 IonicContact OD2-NH2 2.84Å; D92-R241 PolarHBondContact OD2-NH2 3.02Å; H94-R241 WeakPolarHBondContact CB-O 3.49Å; L212-R241 HydrophobicContact CD1-CB 4.21Å; L212-R241 PolarHBondContact O-NH1 3.05Å; D213-R241 IonicContact OD1-CZ 3.45Å; D213-R241 IonicContact OD1-NH1 3.91Å; D213-R241 PolarHBondContact OD1-NH1 3.5Å; D213-R241 VanDerWaalsContact OD1-NH1 3.1Å; D213-R241 IonicContact OD1-NH2 3.54Å; D213-R241 PolarHBondContact OD1-NH2 2.81Å |
| 242 | N | 82 | Confident | 94.9 | Very high | 140 Ų | 140 | 50.1 Ų | 50.1 | 75% | 0.749 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -107.6 | 29 | -169.3 | -66.2 | -31 | 0 | 0 | 0 | 113.6 | ||
| 243 | Q | 79.6 | Confident | 94.9 | Very high | 46 Ų | 46 | 46.8 Ų | 46.8 | 22% | 0.215 | 23% | 0.229 | C | C | . | . | trans | -105.2 | 76.3 | 177.8 | -56.6 | 91.5 | -6.1 | 0 | 0 | 111.9 | D217 E245 L246 H247 | D217-Q243 PolarHBondContact O-NE2 2.77Å; D217-Q243 PolarHBondContact O-OE1 3.03Å; D217-Q243 PolarHBondContact OD1-NE2 3.45Å; Q243-E245 VanDerWaalsContact C-N 3.3Å; Q243-E245 PolarHBondContact O-N 2.85Å; Q243-L246 HydrophobicContact CB-CB 3.63Å; Q243-L246 HydrophobicContact CB-CD2 4.13Å; Q243-L246 HydrophobicContact CB-CG 4.46Å; Q243-L246 HydrophobicContact CG-CD2 4.32Å; Q243-L246 PolarHBondContact O-N 2.97Å; Q243-H247 WeakPolarHBondContact O-CB 3.49Å; Q243-H247 PolarHBondContact O-N 2.86Å | ||
| 244 | S | 85.9 | Confident | 94.9 | Very high | 73 Ų | 73 | 46.4 Ų | 46.4 | 51% | 0.51 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -56.4 | -40.8 | -175.8 | 61.6 | 0 | 0 | 0 | 0 | 113.6 | K248 | S244-K248 VanDerWaalsContact O-CG 3.29Å; S244-K248 WeakPolarHBondContact O-CG 3.42Å; S244-K248 PolarHBondContact O-N 3.2Å |
| 245 | E | 94 | Very high | 94.7 | Very high | 112 Ų | 112 | 47.5 Ų | 47.5 | 52% | 0.523 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -72.3 | -41.8 | -179.9 | -62.6 | -48.2 | 116.5 | 0 | 0 | 112.3 | Q243 H247 K248 Q249 | Q243-E245 VanDerWaalsContact C-N 3.3Å; Q243-E245 PolarHBondContact O-N 2.85Å; E245-H247 VanDerWaalsContact C-N 3.3Å; E245-H247 PolarHBondContact O-N 3.16Å; E245-K248 PolarHBondContact O-N 3.21Å; E245-K248 IonicContact OE1-NZ 3.65Å; E245-K248 PolarHBondContact OE1-NZ 3.21Å; E245-K248 IonicContact OE2-NZ 2.7Å; E245-Q249 WeakPolarHBondContact O-CG 3.36Å; E245-Q249 PolarHBondContact O-N 3.2Å |
| 246 | L | 96 | Very high | 94.6 | Very high | 15 Ų | 15 | 50.2 Ų | 50.2 | 8% | 0.079 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.4 | -43.8 | 174 | 178.1 | 57.8 | 0 | 0 | 0 | 110.6 | I112 I196 V218 T240 Q243 K248 Q249 L250 | I112-L246 HydrophobicContact CD1-CD1 3.57Å; I196-L246 HydrophobicContact CD1-CD1 3.64Å; I196-L246 HydrophobicContact CD1-CD2 4.46Å; I196-L246 HydrophobicContact CG1-CD1 4.39Å; I196-L246 HydrophobicContact CG1-CD2 4.39Å; I196-L246 HydrophobicContact CG2-CD2 4.05Å; V218-L246 HydrophobicContact CG2-CD2 3.6Å; T240-L246 HydrophobicContact CG2-CD2 4.13Å; T240-L246 HydrophobicContact CG2-CG 4.37Å; Q243-L246 HydrophobicContact CB-CB 3.63Å; Q243-L246 HydrophobicContact CB-CD2 4.13Å; Q243-L246 HydrophobicContact CB-CG 4.46Å; Q243-L246 HydrophobicContact CG-CD2 4.32Å; Q243-L246 PolarHBondContact O-N 2.97Å; L246-K248 PolarHBondContact O-N 2.86Å; L246-Q249 WeakPolarHBondContact O-CB 3.4Å; L246-Q249 PolarHBondContact O-N 2.96Å; L246-L250 HydrophobicContact CD1-CG 4.44Å; L246-L250 HydrophobicContact CG-CD1 4.39Å; L246-L250 WeakPolarHBondContact O-CG 3.02Å; L246-L250 PolarHBondContact O-N 3.45Å |
| 247 | H | 94.3 | Very high | 94.5 | Very high | 18 Ų | 18 | 52.5 Ų | 52.5 | 8% | 0.083 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.5 | -43.8 | 177.7 | -173.3 | 69.4 | 0 | 0 | 0 | 112.2 | D95 Q243 E245 Q249 L250 R251 | D95-H247 WeakPolarHBondContact CB-CE1 3.48Å; D95-H247 IonicContact OD1-CE1 3.72Å; D95-H247 PolarHBondContact OD1-CE1 3.3Å; D95-H247 VanDerWaalsContact OD1-CE1 3.29Å; D95-H247 IonicContact OD1-NE2 3.03Å; D95-H247 IonicContact OD2-CD2 3.83Å; D95-H247 PolarHBondContact OD2-CD2 3.24Å; D95-H247 IonicContact OD2-CE1 3.29Å; D95-H247 PolarHBondContact OD2-CE1 3.28Å; D95-H247 VanDerWaalsContact OD2-CE1 3.3Å; D95-H247 IonicContact OD2-NE2 3.59Å; D95-H247 PolarHBondContact OD2-NE2 2.98Å; Q243-H247 WeakPolarHBondContact O-CB 3.49Å; Q243-H247 PolarHBondContact O-N 2.86Å; E245-H247 VanDerWaalsContact C-N 3.3Å; E245-H247 PolarHBondContact O-N 3.16Å; H247-Q249 VanDerWaalsContact C-N 3.31Å; H247-Q249 PolarHBondContact O-N 2.84Å; H247-L250 PolarHBondContact O-N 3.16Å; H247-R251 PolarHBondContact CE1-NE 3.47Å; H247-R251 WeakPolarHBondContact NE2-CG 3.17Å; H247-R251 PolarHBondContact NE2-NE 3.1Å; H247-R251 PolarHBondContact O-N 2.9Å |
| 248 | K | 95.5 | Very high | 94.4 | Very high | 121 Ų | 121 | 53.8 Ų | 53.8 | 53% | 0.526 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -58.2 | -42.4 | 174.2 | -73.6 | 169.8 | -173.9 | 170.1 | 0 | 111.9 | S244 E245 L246 R251 F252 | S244-K248 VanDerWaalsContact O-CG 3.29Å; S244-K248 WeakPolarHBondContact O-CG 3.42Å; S244-K248 PolarHBondContact O-N 3.2Å; E245-K248 PolarHBondContact O-N 3.21Å; E245-K248 IonicContact OE1-NZ 3.65Å; E245-K248 PolarHBondContact OE1-NZ 3.21Å; E245-K248 IonicContact OE2-NZ 2.7Å; L246-K248 PolarHBondContact O-N 2.86Å; K248-R251 PolarHBondContact O-N 2.97Å; K248-F252 WeakPolarHBondContact O-CB 3.13Å; K248-F252 PolarHBondContact O-N 3.23Å |
| 249 | Q | 96.8 | Very high | 94.4 | Very high | 93 Ų | 93 | 55.2 Ų | 55.2 | 44% | 0.435 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.9 | -45.9 | 175.2 | -70.1 | 175 | -31 | 0 | 0 | 111.4 | E245 L246 H247 R251 F252 I253 | E245-Q249 WeakPolarHBondContact O-CG 3.36Å; E245-Q249 PolarHBondContact O-N 3.2Å; L246-Q249 WeakPolarHBondContact O-CB 3.4Å; L246-Q249 PolarHBondContact O-N 2.96Å; H247-Q249 VanDerWaalsContact C-N 3.31Å; H247-Q249 PolarHBondContact O-N 2.84Å; Q249-R251 PolarHBondContact O-N 2.97Å; Q249-F252 PolarHBondContact O-N 3Å; Q249-I253 VanDerWaalsContact O-CG1 3.3Å; Q249-I253 WeakPolarHBondContact O-CG1 3.5Å; Q249-I253 PolarHBondContact O-N 2.89Å |
| 250 | L | 97.6 | Very high | 94.4 | Very high | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.3 | -45.6 | 177.3 | -69.6 | 178.8 | 0 | 0 | 0 | 112.4 | T108 L109 I112 L238 T240 L246 H247 I253 Q254 | T108-L250 HydrophobicContact CG2-CD2 3.84Å; L109-L250 HydrophobicContact CD2-CD2 4.22Å; I112-L250 HydrophobicContact CD1-CD2 3.64Å; I112-L250 HydrophobicContact CD1-CG 4.32Å; I112-L250 HydrophobicContact CG1-CD2 4.48Å; L238-L250 HydrophobicContact CB-CD1 4.23Å; L238-L250 HydrophobicContact CD1-CD1 4.22Å; L238-L250 HydrophobicContact CD1-CD2 3.51Å; L238-L250 HydrophobicContact CD1-CG 4.45Å; T240-L250 HydrophobicContact CG2-CD1 3.91Å; L246-L250 HydrophobicContact CD1-CG 4.44Å; L246-L250 HydrophobicContact CG-CD1 4.39Å; L246-L250 WeakPolarHBondContact O-CG 3.02Å; L246-L250 PolarHBondContact O-N 3.45Å; H247-L250 PolarHBondContact O-N 3.16Å; L250-I253 PolarHBondContact O-N 3.17Å; L250-Q254 WeakPolarHBondContact O-CB 3.02Å; L250-Q254 PolarHBondContact O-N 3.44Å |
| 251 | R | 96.2 | Very high | 94.4 | Very high | 62 Ų | 62 | 57.1 Ų | 57.1 | 23% | 0.234 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.4 | -43.1 | 175.7 | -73.6 | -71.8 | -176 | -170 | 6 | 112 | E84 D95 C96 C97 H247 K248 Q249 I253 Q254 Y255 | E84-R251 IonicContact OE1-NH1 3.79Å; E84-R251 PolarHBondContact OE1-NH1 3.41Å; E84-R251 IonicContact OE2-CZ 2.66Å; E84-R251 IonicContact OE2-NH1 3.72Å; E84-R251 PolarHBondContact OE2-NH1 2.9Å; E84-R251 IonicContact OE2-NH2 3.03Å; E84-R251 PolarHBondContact OE2-NH2 2.93Å; D95-R251 IonicContact OD1-CZ 2.76Å; D95-R251 IonicContact OD1-NE 3.5Å; D95-R251 IonicContact OD1-NH2 3.37Å; D95-R251 PolarHBondContact OD1-NH2 3.46Å; D95-R251 IonicContact OD2-NH2 3.32Å; C96-R251 PolarHBondContact O-NH2 2.92Å; C97-R251 VanDerWaalsContact SG-CD 3.55Å; H247-R251 PolarHBondContact CE1-NE 3.47Å; H247-R251 WeakPolarHBondContact NE2-CG 3.17Å; H247-R251 PolarHBondContact NE2-NE 3.1Å; H247-R251 PolarHBondContact O-N 2.9Å; K248-R251 PolarHBondContact O-N 2.97Å; Q249-R251 PolarHBondContact O-N 2.97Å; R251-I253 PolarHBondContact O-N 2.88Å; R251-Q254 PolarHBondContact O-N 2.86Å; R251-Y255 WeakPolarHBondContact O-CB 3.44Å; R251-Y255 PolarHBondContact O-N 2.66Å |
| 252 | F | 97.3 | Very high | 94.8 | Very high | 136 Ų | 136 | 56.9 Ų | 56.9 | 60% | 0.596 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -59.9 | -46.4 | 176.7 | 176 | -103.6 | 0 | 0 | 0 | 111.2 | K248 Q249 Y255 A256 | K248-F252 WeakPolarHBondContact O-CB 3.13Å; K248-F252 PolarHBondContact O-N 3.23Å; Q249-F252 PolarHBondContact O-N 3Å; F252-Y255 PolarHBondContact O-N 2.84Å; F252-A256 HydrophobicContact CE1-CB 4.35Å; F252-A256 HydrophobicContact CE2-CB 4.44Å; F252-A256 HydrophobicContact CZ-CB 4.23Å; F252-A256 WeakPolarHBondContact O-CB 3.45Å; F252-A256 PolarHBondContact O-N 2.9Å |
| 253 | I | 97.8 | Very high | 95.6 | Very high | 16 Ų | 16 | 51 Ų | 51 | 8% | 0.082 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.8 | -42.5 | 177.7 | -62.2 | 163.8 | 0 | 0 | 0 | 110.9 | T108 Q111 I112 Q249 L250 R251 Y255 A256 A257 | T108-I253 HydrophobicContact CG2-CB 3.8Å; T108-I253 HydrophobicContact CG2-CD1 4.46Å; T108-I253 HydrophobicContact CG2-CG2 3.55Å; Q111-I253 HydrophobicContact CB-CD1 3.98Å; Q111-I253 HydrophobicContact CB-CG1 4.49Å; Q111-I253 HydrophobicContact CB-CG2 3.99Å; I112-I253 HydrophobicContact CB-CD1 4.49Å; I112-I253 HydrophobicContact CG1-CD1 3.57Å; Q249-I253 VanDerWaalsContact O-CG1 3.3Å; Q249-I253 WeakPolarHBondContact O-CG1 3.5Å; Q249-I253 PolarHBondContact O-N 2.89Å; L250-I253 PolarHBondContact O-N 3.17Å; R251-I253 PolarHBondContact O-N 2.88Å; I253-Y255 VanDerWaalsContact C-N 3.27Å; I253-Y255 PolarHBondContact O-N 2.96Å; I253-A256 PolarHBondContact O-N 3.41Å; I253-A257 HydrophobicContact CG2-CB 3.99Å; I253-A257 WeakPolarHBondContact O-CA 3.5Å; I253-A257 WeakPolarHBondContact O-CB 3.48Å; I253-A257 PolarHBondContact O-N 3.46Å |
| 254 | Q | 97.9 | Very high | 96.5 | Very high | 3 Ų | 3 | 53.4 Ų | 53.4 | 1% | 0.014 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -53.6 | -46.7 | 175.4 | -175.5 | -169 | 46 | 0 | 0 | 110.9 | E84 V98 F99 L250 R251 G258 V260 | E84-Q254 PolarHBondContact OE1-NE2 3.04Å; V98-Q254 PolarHBondContact O-NE2 3.29Å; F99-Q254 HydrophobicContact CD1-CG 4.45Å; F99-Q254 HydrophobicContact CE1-CB 3.86Å; F99-Q254 HydrophobicContact CE1-CG 3.92Å; F99-Q254 HydrophobicContact CZ-CB 4.31Å; F99-Q254 HydrophobicContact CZ-CG 4.46Å; L250-Q254 WeakPolarHBondContact O-CB 3.02Å; L250-Q254 PolarHBondContact O-N 3.44Å; R251-Q254 PolarHBondContact O-N 2.86Å; Q254-G258 PolarHBondContact O-N 3.42Å; Q254-V260 HydrophobicContact CG-CG1 3.78Å; Q254-V260 WeakPolarHBondContact O-CG1 3.49Å |
| 255 | Y | 94.7 | Very high | 97.1 | Very high | 105 Ų | 105 | 52 Ų | 52 | 41% | 0.412 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65.8 | -54.9 | 174.9 | 161.2 | -109 | 0 | 0 | 0 | 112.3 | R74 S75 R251 F252 I253 | R74-Y255 VanDerWaalsContact NH1-CE2 3.32Å; R74-Y255 PolarHBondContact NH1-O 3.29Å; S75-Y255 VanDerWaalsContact OG-CD2 3.27Å; S75-Y255 WeakPolarHBondContact OG-CD2 3.46Å; S75-Y255 VanDerWaalsContact OG-CE2 3.23Å; S75-Y255 WeakPolarHBondContact OG-CE2 3.5Å; R251-Y255 WeakPolarHBondContact O-CB 3.44Å; R251-Y255 PolarHBondContact O-N 2.66Å; F252-Y255 PolarHBondContact O-N 2.84Å; I253-Y255 VanDerWaalsContact C-N 3.27Å; I253-Y255 PolarHBondContact O-N 2.96Å |
| 256 | A | 97.3 | Very high | 97.3 | Very high | 56 Ų | 56 | 46.7 Ų | 46.7 | 46% | 0.463 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -74.5 | -41.7 | -168.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | F252 I253 | F252-A256 HydrophobicContact CE1-CB 4.35Å; F252-A256 HydrophobicContact CE2-CB 4.44Å; F252-A256 HydrophobicContact CZ-CB 4.23Å; F252-A256 WeakPolarHBondContact O-CB 3.45Å; F252-A256 PolarHBondContact O-N 2.9Å; I253-A256 PolarHBondContact O-N 3.41Å |
| 257 | A | 97.2 | Very high | 97.5 | Very high | 48 Ų | 48 | 48.1 Ų | 48.1 | 40% | 0.397 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -80.3 | -24 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | I253 A259 | I253-A257 HydrophobicContact CG2-CB 3.99Å; I253-A257 WeakPolarHBondContact O-CA 3.5Å; I253-A257 WeakPolarHBondContact O-CB 3.48Å; I253-A257 PolarHBondContact O-N 3.46Å; A257-A259 VanDerWaalsContact C-N 3.32Å; A257-A259 PolarHBondContact O-N 3.27Å |
| 258 | G | 97.3 | Very high | 97.7 | Very high | 28 Ų | 28 | 48.7 Ų | 48.7 | 29% | 0.289 | 26% | 0.258 | S | S | . | . | trans | 73 | 15.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q254 V260 | Q254-G258 PolarHBondContact O-N 3.42Å; G258-V260 PolarHBondContact O-N 2.83Å | ||
| 259 | A | 98.2 | Very high | 97.8 | Very high | 30 Ų | 30 | 43 Ų | 43 | 25% | 0.248 | 23% | 0.233 | C | C | . | . | trans | -77.3 | 50.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | F99 S100 A104 A257 | F99-A259 VanDerWaalsContact CA-O 3.31Å; F99-A259 WeakPolarHBondContact CA-O 3.21Å; F99-A259 WeakPolarHBondContact CB-O 3.32Å; S100-A259 PolarHBondContact N-O 2.82Å; A104-A259 HydrophobicContact CB-CB 3.93Å; A257-A259 VanDerWaalsContact C-N 3.32Å; A257-A259 PolarHBondContact O-N 3.27Å | ||
| 260 | V | 98.5 | Very high | 97.9 | Very high | 33 Ų | 33 | 38.8 Ų | 38.8 | 20% | 0.2 | 21% | 0.214 | C | C | . | . | P | Polyproline II helix | trans | -94 | 149.1 | -173.8 | -62 | 0 | 0 | 0 | 0 | 111.6 | R74 Q254 G258 | R74-V260 HydrophobicContact CB-CG2 4.45Å; R74-V260 HydrophobicContact CG-CG2 4.16Å; Q254-V260 HydrophobicContact CG-CG1 3.78Å; Q254-V260 WeakPolarHBondContact O-CG1 3.49Å; G258-V260 PolarHBondContact O-N 2.83Å |
| 261 | P | 98.5 | Very high | 98 | Very high | 8 Ų | 8 | 46.3 Ų | 46.3 | 5% | 0.052 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -78.4 | 162.2 | 177.9 | 33.6 | -35.4 | 0 | 0 | 0 | 112 | V98 M235 C266 | V98-P261 HydrophobicContact CB-CG 4.31Å; V98-P261 HydrophobicContact CG2-CG 3.72Å; V98-P261 WeakPolarHBondContact O-CD 3.17Å; M235-P261 HydrophobicContact CE-CB 3.69Å; M235-P261 HydrophobicContact CE-CG 3.7Å; M235-P261 HydrophobicContact CG-CB 3.97Å; M235-P261 HydrophobicContact SD-CB 4.11Å; P261-C266 VanDerWaalsContact CG-SG 3.57Å |
| 262 | S | 98.4 | Very high | 98.1 | Very high | 50 Ų | 50 | 43.4 Ų | 43.4 | 35% | 0.35 | 23% | 0.232 | S | C | . | . | P | Polyproline II helix | trans | -61.7 | 140.3 | 168.2 | 175.8 | 0 | 0 | 0 | 0 | 110.6 | F264 D265 C266 | S262-F264 PolarHBondContact O-N 3.38Å; S262-F264 WeakPolarHBondContact OG-CB 3.43Å; S262-F264 PolarHBondContact OG-N 2.95Å; S262-D265 PolarHBondContact O-N 3.24Å; S262-C266 PolarHBondContact O-N 3.37Å; S262-C266 PolarHBondContact O-SG 3.35Å |
| 263 | P | 98.5 | Very high | 98.1 | Very high | 16 Ų | 16 | 37 Ų | 37 | 10% | 0.104 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.6 | -27 | 170.8 | -22 | 32.5 | 0 | 0 | 0 | 113.1 | T55 L56 C266 F267 | T55-P263 WeakPolarHBondContact O-CB 3.41Å; L56-P263 HydrophobicContact CD2-CB 4.3Å; P263-C266 WeakPolarHBondContact O-CB 3.3Å; P263-C266 PolarHBondContact O-N 3.17Å; P263-F267 PolarHBondContact O-N 3.07Å; P263-F267 VanDerWaalsContact O-N 3.14Å |
| 264 | F | 98.7 | Very high | 98.2 | Very high | 97 Ų | 97 | 39.1 Ų | 39.1 | 43% | 0.425 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -67.2 | -46.8 | 174.4 | -175.7 | -100.6 | 0 | 0 | 0 | 111.6 | I54 L56 S262 C266 F267 L268 | I54-F264 HydrophobicContact CD1-CD2 4.07Å; I54-F264 HydrophobicContact CD1-CE2 4.28Å; L56-F264 HydrophobicContact CD2-CB 4.2Å; S262-F264 PolarHBondContact O-N 3.38Å; S262-F264 WeakPolarHBondContact OG-CB 3.43Å; S262-F264 PolarHBondContact OG-N 2.95Å; F264-C266 VanDerWaalsContact C-N 3.25Å; F264-C266 PolarHBondContact O-N 3.39Å; F264-F267 WeakPolarHBondContact O-CB 3.36Å; F264-F267 PolarHBondContact O-N 2.84Å; F264-F267 VanDerWaalsContact O-N 3.09Å; F264-L268 HydrophobicContact CD1-CD1 3.99Å; F264-L268 HydrophobicContact CD1-CG 4.29Å; F264-L268 HydrophobicContact CE1-CD1 3.54Å; F264-L268 HydrophobicContact CE1-CD2 4.41Å; F264-L268 HydrophobicContact CE1-CG 3.97Å; F264-L268 HydrophobicContact CZ-CD1 4.26Å; F264-L268 HydrophobicContact CZ-CD2 4.35Å; F264-L268 HydrophobicContact CZ-CG 4.35Å; F264-L268 PolarHBondContact O-N 3.42Å |
| 265 | D | 98.7 | Very high | 98.2 | Very high | 44 Ų | 44 | 41.1 Ų | 41.1 | 24% | 0.235 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.9 | -35.2 | 176.1 | -59.5 | 2.9 | 0 | 0 | 0 | 110.7 | L233 M235 S262 F267 L268 C269 | L233-D265 HydrophobicContact CB-CB 4.38Å; M235-D265 HydrophobicContact CG-CB 4.25Å; M235-D265 VanDerWaalsContact SD-C 3.58Å; M235-D265 HydrophobicContact SD-CB 3.61Å; S262-D265 PolarHBondContact O-N 3.24Å; D265-F267 VanDerWaalsContact C-N 3.3Å; D265-F267 PolarHBondContact O-N 2.85Å; D265-L268 PolarHBondContact O-N 2.82Å; D265-C269 WeakPolarHBondContact O-CB 3.35Å; D265-C269 PolarHBondContact O-N 3.04Å |
| 266 | C | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.4 | -42.6 | 173.7 | -63.3 | 0 | 0 | 0 | 0 | 111.8 | L83 P261 S262 P263 F264 L270 | L83-C266 HydrophobicContact CB-CB 4.38Å; L83-C266 HydrophobicContact CD2-CB 4.06Å; P261-C266 VanDerWaalsContact CG-SG 3.57Å; S262-C266 PolarHBondContact O-N 3.37Å; S262-C266 PolarHBondContact O-SG 3.35Å; P263-C266 WeakPolarHBondContact O-CB 3.3Å; P263-C266 PolarHBondContact O-N 3.17Å; F264-C266 VanDerWaalsContact C-N 3.25Å; F264-C266 PolarHBondContact O-N 3.39Å; C266-L270 WeakPolarHBondContact O-CB 3.24Å; C266-L270 PolarHBondContact O-N 2.78Å |
| 267 | F | 98.5 | Very high | 98.4 | Very high | 46 Ų | 46 | 33.7 Ų | 33.7 | 20% | 0.202 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64 | -45.6 | 174.6 | 163.8 | -92.8 | 0 | 0 | 0 | 112 | V51 I54 P263 F264 D265 L270 R271 | V51-F267 HydrophobicContact CG1-CE2 3.76Å; I54-F267 HydrophobicContact CD1-CB 4.14Å; I54-F267 HydrophobicContact CD1-CD1 3.52Å; I54-F267 HydrophobicContact CD1-CD2 4Å; I54-F267 HydrophobicContact CD1-CE1 3.86Å; I54-F267 HydrophobicContact CD1-CE2 4.29Å; I54-F267 HydrophobicContact CD1-CG 3.6Å; I54-F267 HydrophobicContact CD1-CZ 4.23Å; I54-F267 HydrophobicContact CG1-CB 3.93Å; I54-F267 HydrophobicContact CG1-CD1 4.11Å; I54-F267 HydrophobicContact CG1-CD2 3.69Å; I54-F267 HydrophobicContact CG1-CE2 4.2Å; I54-F267 HydrophobicContact CG1-CG 3.63Å; P263-F267 PolarHBondContact O-N 3.07Å; P263-F267 VanDerWaalsContact O-N 3.14Å; F264-F267 WeakPolarHBondContact O-CB 3.36Å; F264-F267 PolarHBondContact O-N 2.84Å; F264-F267 VanDerWaalsContact O-N 3.09Å; D265-F267 VanDerWaalsContact C-N 3.3Å; D265-F267 PolarHBondContact O-N 2.85Å; F267-L270 PolarHBondContact O-N 2.92Å; F267-R271 WeakPolarHBondContact O-CB 3.5Å; F267-R271 PolarHBondContact O-N 3.25Å |
| 268 | L | 98.7 | Very high | 98.5 | Very high | 30 Ų | 30 | 36.6 Ų | 36.6 | 16% | 0.157 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.1 | -46.1 | 178.2 | -70 | -176.7 | 0 | 0 | 0 | 111.7 | L233 F264 D265 L270 R271 G272 | L233-L268 HydrophobicContact CD2-CB 3.72Å; F264-L268 HydrophobicContact CD1-CD1 3.99Å; F264-L268 HydrophobicContact CD1-CG 4.29Å; F264-L268 HydrophobicContact CE1-CD1 3.54Å; F264-L268 HydrophobicContact CE1-CD2 4.41Å; F264-L268 HydrophobicContact CE1-CG 3.97Å; F264-L268 HydrophobicContact CZ-CD1 4.26Å; F264-L268 HydrophobicContact CZ-CD2 4.35Å; F264-L268 HydrophobicContact CZ-CG 4.35Å; F264-L268 PolarHBondContact O-N 3.42Å; D265-L268 PolarHBondContact O-N 2.82Å; L268-L270 VanDerWaalsContact C-N 3.34Å; L268-L270 PolarHBondContact O-N 3.43Å; L268-R271 WeakPolarHBondContact O-CB 3.38Å; L268-R271 PolarHBondContact O-N 3.2Å; L268-G272 PolarHBondContact O-N 2.78Å |
| 269 | C | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.7 | -43.7 | 176.8 | -172.8 | 0 | 0 | 0 | 0 | 111.1 | L83 L233 M235 D265 R271 G272 L273 | L83-C269 HydrophobicContact CD1-CB 4.18Å; L83-C269 HydrophobicContact CD2-CB 3.91Å; L233-C269 HydrophobicContact CD2-CB 3.81Å; M235-C269 HydrophobicContact SD-CB 4.06Å; D265-C269 WeakPolarHBondContact O-CB 3.35Å; D265-C269 PolarHBondContact O-N 3.04Å; C269-R271 VanDerWaalsContact C-N 3.3Å; C269-R271 PolarHBondContact O-N 3.49Å; C269-G272 CarbonylContact O-C 3.53Å; C269-G272 WeakPolarHBondContact O-CA 3.46Å; C269-G272 PolarHBondContact O-N 3.35Å; C269-L273 WeakPolarHBondContact O-CG 3.46Å; C269-L273 PolarHBondContact O-N 3.43Å |
| 270 | L | 98.6 | Very high | 98.6 | Very high | 5 Ų | 5 | 34.2 Ų | 34.2 | 3% | 0.026 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.3 | -38.6 | 176.3 | -172.7 | 59.6 | 0 | 0 | 0 | 112.2 | P52 C82 L83 C86 C266 F267 L268 L273 R274 | P52-L270 HydrophobicContact CG-CD2 3.68Å; C82-L270 HydrophobicContact CB-CD2 3.81Å; L83-L270 HydrophobicContact CD1-CB 4.13Å; L83-L270 HydrophobicContact CD1-CD1 4.28Å; C86-L270 HydrophobicContact CB-CD1 3.69Å; C266-L270 WeakPolarHBondContact O-CB 3.24Å; C266-L270 PolarHBondContact O-N 2.78Å; F267-L270 PolarHBondContact O-N 2.92Å; L268-L270 VanDerWaalsContact C-N 3.34Å; L268-L270 PolarHBondContact O-N 3.43Å; L270-L273 HydrophobicContact CD1-CD1 4.39Å; L270-L273 PolarHBondContact O-N 3.07Å; L270-R274 VanDerWaalsContact CD1-CZ 3.43Å; L270-R274 VanDerWaalsContact CD1-NH2 3.29Å; L270-R274 WeakPolarHBondContact O-CG 3.31Å; L270-R274 PolarHBondContact O-N 2.97Å |
| 271 | R | 98.6 | Very high | 98.6 | Very high | 160 Ų | 160 | 36 Ų | 36 | 60% | 0.604 | 17% | 0.171 | S | C | * | . | H | α-helix | trans | -61.9 | -43.9 | 172.1 | -175.7 | -178 | -173.3 | -103.9 | 0.3 | 111 | F267 L268 C269 L273 R274 | F267-R271 WeakPolarHBondContact O-CB 3.5Å; F267-R271 PolarHBondContact O-N 3.25Å; L268-R271 WeakPolarHBondContact O-CB 3.38Å; L268-R271 PolarHBondContact O-N 3.2Å; C269-R271 VanDerWaalsContact C-N 3.3Å; C269-R271 PolarHBondContact O-N 3.49Å; R271-L273 VanDerWaalsContact C-N 3.35Å; R271-L273 PolarHBondContact O-N 3.12Å; R271-R274 WeakPolarHBondContact O-CB 3.19Å; R271-R274 PolarHBondContact O-N 3.36Å |
| 272 | G | 98.6 | Very high | 98.6 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.3 | -37.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | N228 L268 C269 R274 T275 L276 R279 | N228-G272 VanDerWaalsContact O-CA 3.31Å; N228-G272 WeakPolarHBondContact O-CA 3.49Å; L268-G272 PolarHBondContact O-N 2.78Å; C269-G272 CarbonylContact O-C 3.53Å; C269-G272 WeakPolarHBondContact O-CA 3.46Å; C269-G272 PolarHBondContact O-N 3.35Å; G272-R274 PolarHBondContact O-N 2.59Å; G272-T275 PolarHBondContact O-N 3.33Å; G272-T275 PolarHBondContact O-OG1 2.83Å; G272-L276 PolarHBondContact O-N 3.29Å; G272-R279 PolarHBondContact O-NH2 3.32Å |
| 273 | L | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.2 | -28.5 | 176.2 | -70.3 | 175.7 | 0 | 0 | 0 | 112.8 | L83 C86 I87 L90 M227 C269 L270 R271 T275 L276 | L83-L273 HydrophobicContact CD1-CD1 3.53Å; C86-L273 HydrophobicContact CB-CD1 4.45Å; I87-L273 HydrophobicContact CG1-CD1 3.83Å; L90-L273 HydrophobicContact CD1-CD1 4.21Å; L90-L273 HydrophobicContact CD1-CD2 3.91Å; M227-L273 HydrophobicContact CB-CD2 4.08Å; M227-L273 HydrophobicContact CE-CD2 3.7Å; M227-L273 VanDerWaalsContact O-CD2 3.31Å; M227-L273 WeakPolarHBondContact O-CD2 3.35Å; M227-L273 HydrophobicContact SD-CD2 4.07Å; C269-L273 WeakPolarHBondContact O-CG 3.46Å; C269-L273 PolarHBondContact O-N 3.43Å; L270-L273 HydrophobicContact CD1-CD1 4.39Å; L270-L273 PolarHBondContact O-N 3.07Å; R271-L273 VanDerWaalsContact C-N 3.35Å; R271-L273 PolarHBondContact O-N 3.12Å; L273-T275 PolarHBondContact O-N 3.19Å; L273-L276 HydrophobicContact CD2-CD2 4.06Å; L273-L276 VanDerWaalsContact O-CB 3.26Å; L273-L276 WeakPolarHBondContact O-CB 3.4Å; L273-L276 PolarHBondContact O-N 2.65Å |
| 274 | R | 98.3 | Very high | 98.6 | Very high | 62 Ų | 62 | 35 Ų | 35 | 23% | 0.234 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -27.7 | 178.7 | -53.5 | -43.9 | -176.2 | -152.5 | 5.1 | 112.7 | A33 T34 G36 C86 L270 R271 G272 | A33-R274 WeakPolarHBondContact O-CD 3.34Å; A33-R274 PolarHBondContact O-NH1 3.14Å; T34-R274 WeakPolarHBondContact O-CD 3.2Å; T34-R274 PolarHBondContact O-NE 3.03Å; G36-R274 PolarHBondContact O-NH1 3.38Å; G36-R274 PolarHBondContact O-NH2 2.78Å; C86-R274 PolarHBondContact SG-NH1 2.72Å; C86-R274 VanDerWaalsContact SG-NH1 3.37Å; L270-R274 VanDerWaalsContact CD1-CZ 3.43Å; L270-R274 VanDerWaalsContact CD1-NH2 3.29Å; L270-R274 WeakPolarHBondContact O-CG 3.31Å; L270-R274 PolarHBondContact O-N 2.97Å; R271-R274 WeakPolarHBondContact O-CB 3.19Å; R271-R274 PolarHBondContact O-N 3.36Å; G272-R274 PolarHBondContact O-N 2.59Å |
| 275 | T | 98.6 | Very high | 98.6 | Very high | 44 Ų | 44 | 34.7 Ų | 34.7 | 27% | 0.27 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104 | 2.3 | 177.4 | 59.9 | 0 | 0 | 0 | 0 | 113.2 | G272 L273 I278 R279 | G272-T275 PolarHBondContact O-N 3.33Å; G272-T275 PolarHBondContact O-OG1 2.83Å; L273-T275 PolarHBondContact O-N 3.19Å; T275-I278 HydrophobicContact CG2-CD1 4.17Å; T275-I278 WeakPolarHBondContact O-CG1 3.42Å; T275-I278 PolarHBondContact O-N 3.2Å; T275-R279 WeakPolarHBondContact O-CB 3.21Å; T275-R279 VanDerWaalsContact O-CG 3.29Å; T275-R279 WeakPolarHBondContact O-CG 3.5Å; T275-R279 PolarHBondContact O-N 3.23Å; T275-R279 WeakPolarHBondContact OG1-CD 3.16Å; T275-R279 PolarHBondContact OG1-NE 3.43Å |
| 276 | L | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -50.2 | -49.1 | -179.5 | -179.9 | 71.9 | 0 | 0 | 0 | 112.6 | L90 Y226 M227 G272 L273 I278 R279 M280 | L90-L276 HydrophobicContact CD1-CD2 4.33Å; Y226-L276 WeakPolarHBondContact O-CD1 3.42Å; M227-L276 HydrophobicContact SD-CD1 4.48Å; M227-L276 HydrophobicContact SD-CD2 3.91Å; G272-L276 PolarHBondContact O-N 3.29Å; L273-L276 HydrophobicContact CD2-CD2 4.06Å; L273-L276 VanDerWaalsContact O-CB 3.26Å; L273-L276 WeakPolarHBondContact O-CB 3.4Å; L273-L276 PolarHBondContact O-N 2.65Å; L276-I278 PolarHBondContact O-N 3.17Å; L276-R279 PolarHBondContact O-N 2.86Å; L276-M280 HydrophobicContact CD1-CG 3.56Å; L276-M280 HydrophobicContact CD1-SD 4.03Å; L276-M280 HydrophobicContact CG-CG 4.03Å; L276-M280 WeakPolarHBondContact O-CB 3.45Å; L276-M280 VanDerWaalsContact O-CG 3.23Å; L276-M280 WeakPolarHBondContact O-CG 3.29Å; L276-M280 PolarHBondContact O-N 3.02Å |
| 277 | P | 98.3 | Very high | 98.5 | Very high | 6 Ų | 6 | 32.8 Ų | 32.8 | 4% | 0.039 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.3 | -46.5 | -178.4 | -25.4 | 35.5 | 0 | 0 | 0 | 113.9 | D30 A33 Y207 K281 | D30-P277 HydrophobicContact CB-CB 4.35Å; D30-P277 HydrophobicContact CB-CG 4.27Å; A33-P277 HydrophobicContact CB-CG 3.58Å; Y207-P277 HydrophobicContact CD2-CB 4.29Å; Y207-P277 HydrophobicContact CD2-CG 4.33Å; Y207-P277 HydrophobicContact CE2-CB 3.53Å; Y207-P277 HydrophobicContact CE2-CG 3.86Å; P277-K281 VanDerWaalsContact O-CG 3.29Å; P277-K281 WeakPolarHBondContact O-CG 3.45Å; P277-K281 PolarHBondContact O-N 3.28Å; P277-K281 VanDerWaalsContact O-N 3.1Å |
| 278 | I | 98.3 | Very high | 98.5 | Very high | 108 Ų | 108 | 30.6 Ų | 30.6 | 55% | 0.554 | 14% | 0.143 | S | C | * | . | H | α-helix | trans | -72.9 | -36.4 | -177.3 | 59.5 | 170.3 | 0 | 0 | 0 | 111.6 | T275 L276 T282 | T275-I278 HydrophobicContact CG2-CD1 4.17Å; T275-I278 WeakPolarHBondContact O-CG1 3.42Å; T275-I278 PolarHBondContact O-N 3.2Å; L276-I278 PolarHBondContact O-N 3.17Å; I278-T282 WeakPolarHBondContact O-CB 3.33Å; I278-T282 PolarHBondContact O-N 2.89Å; I278-T282 VanDerWaalsContact O-N 3.16Å; I278-T282 PolarHBondContact O-OG1 3.09Å |
| 279 | R | 98.7 | Very high | 98.5 | Very high | 8 Ų | 8 | 29.4 Ų | 29.4 | 3% | 0.03 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65 | -49.4 | 174.9 | -69.2 | -172.6 | -68 | 99 | -6 | 110.4 | Y226 M227 N228 G272 T275 L276 K281 T282 H283 L394 | Y226-R279 PolarHBondContact O-NH1 2.94Å; Y226-R279 PolarHBondContact O-NH2 2.92Å; Y226-R279 VanDerWaalsContact O-NH2 3.07Å; M227-R279 PolarHBondContact O-NH2 2.99Å; N228-R279 PolarHBondContact O-NH2 2.89Å; G272-R279 PolarHBondContact O-NH2 3.32Å; T275-R279 WeakPolarHBondContact O-CB 3.21Å; T275-R279 VanDerWaalsContact O-CG 3.29Å; T275-R279 WeakPolarHBondContact O-CG 3.5Å; T275-R279 PolarHBondContact O-N 3.23Å; T275-R279 WeakPolarHBondContact OG1-CD 3.16Å; T275-R279 PolarHBondContact OG1-NE 3.43Å; L276-R279 PolarHBondContact O-N 2.86Å; R279-K281 PolarHBondContact O-N 3.39Å; R279-T282 PolarHBondContact O-N 2.91Å; R279-T282 VanDerWaalsContact O-N 3.12Å; R279-H283 PolarHBondContact O-CD2 3.48Å; R279-H283 PolarHBondContact O-N 3.49Å; R279-L394 HydrophobicContact CB-CD1 4.25Å; R279-L394 HydrophobicContact CB-CD2 4.26Å; R279-L394 HydrophobicContact CG-CD1 3.69Å |
| 280 | M | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.5 | -39.9 | -178.5 | -68 | -49 | -65.1 | 0 | 0 | 112.7 | Y207 F208 Y226 L276 T282 H283 M284 | Y207-M280 HydrophobicContact CD1-CB 3.68Å; Y207-M280 HydrophobicContact CD1-CG 4.33Å; Y207-M280 HydrophobicContact CE1-CB 4.39Å; Y207-M280 HydrophobicContact CG-CB 4.14Å; Y207-M280 HydrophobicContact CG-CG 4.32Å; F208-M280 HydrophobicContact CD2-CB 4.4Å; F208-M280 HydrophobicContact CD2-CE 3.56Å; F208-M280 HydrophobicContact CE2-CB 3.66Å; F208-M280 HydrophobicContact CE2-CE 3.56Å; F208-M280 HydrophobicContact CE2-CG 4.45Å; F208-M280 WeakPolarHBondContact CE2-O 3.26Å; F208-M280 HydrophobicContact CZ-CB 3.8Å; F208-M280 WeakPolarHBondContact CZ-O 3.37Å; Y226-M280 HydrophobicContact CD1-CE 3.91Å; Y226-M280 HydrophobicContact CD1-SD 3.37Å; Y226-M280 WeakPolarHBondContact CD1-SD 3.43Å; Y226-M280 HydrophobicContact CD2-CE 4.38Å; Y226-M280 HydrophobicContact CE1-CE 4.24Å; Y226-M280 HydrophobicContact CE1-SD 4.09Å; Y226-M280 HydrophobicContact CG-CE 3.98Å; Y226-M280 HydrophobicContact CG-SD 3.69Å; L276-M280 HydrophobicContact CD1-CG 3.56Å; L276-M280 HydrophobicContact CD1-SD 4.03Å; L276-M280 HydrophobicContact CG-CG 4.03Å; L276-M280 WeakPolarHBondContact O-CB 3.45Å; L276-M280 VanDerWaalsContact O-CG 3.23Å; L276-M280 WeakPolarHBondContact O-CG 3.29Å; L276-M280 PolarHBondContact O-N 3.02Å; M280-T282 VanDerWaalsContact C-N 3.32Å; M280-T282 PolarHBondContact O-N 3.01Å; M280-H283 PolarHBondContact O-N 3.16Å; M280-M284 WeakPolarHBondContact O-CB 3.36Å; M280-M284 PolarHBondContact O-N 3.05Å |
| 281 | K | 98.1 | Very high | 98.5 | Very high | 70 Ų | 70 | 29.1 Ų | 29.1 | 30% | 0.304 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -60.2 | -41.5 | 172.6 | -71.9 | 173.9 | -164.1 | 172 | 0 | 112 | L23 D30 Y207 P277 R279 M284 Q285 | L23-K281 HydrophobicContact CD2-CD 4.5Å; L23-K281 HydrophobicContact CD2-CG 4.29Å; D30-K281 IonicContact OD2-NZ 3.77Å; D30-K281 PolarHBondContact OD2-NZ 3.43Å; Y207-K281 HydrophobicContact CE1-CG 4.27Å; Y207-K281 WeakPolarHBondContact OH-CE 3.43Å; Y207-K281 PolarHBondContact OH-NZ 2.92Å; P277-K281 VanDerWaalsContact O-CG 3.29Å; P277-K281 WeakPolarHBondContact O-CG 3.45Å; P277-K281 PolarHBondContact O-N 3.28Å; P277-K281 VanDerWaalsContact O-N 3.1Å; R279-K281 PolarHBondContact O-N 3.39Å; K281-M284 WeakPolarHBondContact O-CB 3.24Å; K281-M284 PolarHBondContact O-N 2.68Å; K281-Q285 PolarHBondContact O-N 2.88Å |
| 282 | T | 98.5 | Very high | 98.5 | Very high | 49 Ų | 49 | 22 Ų | 22 | 30% | 0.301 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -69.3 | -44.4 | 178.3 | -53.9 | 0 | 0 | 0 | 0 | 111.4 | I278 R279 M280 M284 Q285 N286 L394 | I278-T282 WeakPolarHBondContact O-CB 3.33Å; I278-T282 PolarHBondContact O-N 2.89Å; I278-T282 VanDerWaalsContact O-N 3.16Å; I278-T282 PolarHBondContact O-OG1 3.09Å; R279-T282 PolarHBondContact O-N 2.91Å; R279-T282 VanDerWaalsContact O-N 3.12Å; M280-T282 VanDerWaalsContact C-N 3.32Å; M280-T282 PolarHBondContact O-N 3.01Å; T282-M284 VanDerWaalsContact C-N 3.3Å; T282-M284 PolarHBondContact O-N 2.88Å; T282-Q285 PolarHBondContact O-N 3.39Å; T282-N286 WeakPolarHBondContact O-CB 3.44Å; T282-N286 PolarHBondContact O-N 3.3Å; T282-L394 HydrophobicContact CG2-CB 4.32Å; T282-L394 HydrophobicContact CG2-CD2 3.75Å |
| 283 | H | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -56.8 | -43 | 172.1 | -73.7 | -59.1 | 0 | 0 | 0 | 112.2 | Y226 R279 M280 G287 G357 V392 | Y226-H283 AromaticContact CD1-CD2 3.8Å; Y226-H283 AromaticContact CD1-NE2 3.9Å; Y226-H283 HydrophobicContact CE1-CB 4.37Å; Y226-H283 AromaticContact CE1-CD2 3.55Å; Y226-H283 AromaticContact CE1-CE1 3.99Å; Y226-H283 AromaticContact CE1-CG 3.78Å; Y226-H283 AromaticContact CE1-NE2 3.71Å; R279-H283 PolarHBondContact O-CD2 3.48Å; R279-H283 PolarHBondContact O-N 3.49Å; M280-H283 PolarHBondContact O-N 3.16Å; H283-G287 WeakPolarHBondContact O-CA 3.49Å; H283-G287 PolarHBondContact O-N 3.36Å; H283-G357 PolarHBondContact CE1-O 2.77Å; H283-V392 PolarHBondContact CE1-O 2.97Å; H283-V392 PolarHBondContact ND1-O 2.93Å |
| 284 | M | 98.3 | Very high | 98.5 | Very high | 4 Ų | 4 | 22.2 Ų | 22.2 | 2% | 0.02 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60.7 | -46 | 177.1 | -174.2 | -179.3 | 169.3 | 0 | 0 | 111.5 | L19 A22 L23 F208 M280 K281 T282 L288 F324 | L19-M284 HydrophobicContact CD2-CB 4.48Å; L19-M284 HydrophobicContact CD2-CE 3.68Å; L19-M284 HydrophobicContact CD2-CG 3.62Å; L19-M284 HydrophobicContact CD2-SD 4.13Å; A22-M284 HydrophobicContact CB-CE 3.53Å; L23-M284 HydrophobicContact CB-CE 3.99Å; L23-M284 HydrophobicContact CB-SD 4.21Å; L23-M284 HydrophobicContact CD1-SD 4.13Å; F208-M284 HydrophobicContact CE1-SD 3.98Å; F208-M284 HydrophobicContact CE2-CB 4.21Å; F208-M284 HydrophobicContact CZ-CB 3.87Å; F208-M284 HydrophobicContact CZ-CG 4.32Å; F208-M284 HydrophobicContact CZ-SD 3.85Å; M280-M284 WeakPolarHBondContact O-CB 3.36Å; M280-M284 PolarHBondContact O-N 3.05Å; K281-M284 WeakPolarHBondContact O-CB 3.24Å; K281-M284 PolarHBondContact O-N 2.68Å; T282-M284 VanDerWaalsContact C-N 3.3Å; T282-M284 PolarHBondContact O-N 2.88Å; M284-L288 WeakPolarHBondContact O-CB 3.44Å; M284-L288 PolarHBondContact O-N 3.5Å; M284-L288 VanDerWaalsContact O-N 3.12Å; M284-F324 VanDerWaalsContact CA-O 3.29Å; M284-F324 WeakPolarHBondContact CA-O 3.23Å; M284-F324 WeakPolarHBondContact CB-O 3.46Å; M284-F324 HydrophobicContact CE-CD2 3.87Å; M284-F324 HydrophobicContact CE-CE2 4.11Å; M284-F324 HydrophobicContact CG-CB 4.26Å; M284-F324 HydrophobicContact CG-CD2 4.26Å; M284-F324 WeakPolarHBondContact CG-O 3.33Å |
| 285 | Q | 98.4 | Very high | 98.5 | Very high | 91 Ų | 91 | 22.2 Ų | 22.2 | 43% | 0.425 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -64.8 | -53.3 | 178 | 174.3 | 177.2 | -15.1 | 0 | 0 | 111.7 | L19 K281 T282 L288 I289 | L19-Q285 HydrophobicContact CD1-CB 3.88Å; L19-Q285 HydrophobicContact CD1-CG 3.93Å; K281-Q285 PolarHBondContact O-N 2.88Å; T282-Q285 PolarHBondContact O-N 3.39Å; Q285-L288 PolarHBondContact O-N 3.21Å; Q285-I289 HydrophobicContact CG-CD1 3.88Å; Q285-I289 WeakPolarHBondContact O-CG1 3.31Å; Q285-I289 PolarHBondContact O-N 3.14Å |
| 286 | N | 98.7 | Very high | 98.5 | Very high | 4 Ų | 4 | 25 Ų | 25 | 2% | 0.021 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -64.5 | -46.2 | -176.8 | -72.2 | -1.5 | 0 | 0 | 0 | 111 | T282 L288 I289 V290 V392 G393 E395 P397 | T282-N286 WeakPolarHBondContact O-CB 3.44Å; T282-N286 PolarHBondContact O-N 3.3Å; N286-L288 VanDerWaalsContact C-N 3.34Å; N286-L288 PolarHBondContact O-N 3.17Å; N286-I289 PolarHBondContact O-N 2.85Å; N286-V290 WeakPolarHBondContact O-CB 3.42Å; N286-V290 WeakPolarHBondContact O-CG2 3.35Å; N286-V290 PolarHBondContact O-N 3.27Å; N286-V392 HydrophobicContact CB-CG1 3.62Å; N286-G393 PolarHBondContact ND2-O 3.14Å; N286-E395 PolarHBondContact ND2-O 3.47Å; N286-P397 HydrophobicContact CB-CB 4.45Å; N286-P397 WeakPolarHBondContact OD1-CB 3.49Å; N286-P397 WeakPolarHBondContact OD1-CD 3.33Å; N286-P397 WeakPolarHBondContact OD1-CG 3.15Å |
| 287 | G | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -56.6 | -45.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | H283 A291 I328 | H283-G287 WeakPolarHBondContact O-CA 3.49Å; H283-G287 PolarHBondContact O-N 3.36Å; G287-A291 WeakPolarHBondContact O-CB 3.31Å; G287-A291 PolarHBondContact O-N 3.23Å; G287-I328 WeakPolarHBondContact O-CD1 3.18Å |
| 288 | L | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.9 | -44.2 | 177.9 | -175 | 59.7 | 0 | 0 | 0 | 112.8 | A15 L19 M284 Q285 N286 A291 M292 G307 L308 | A15-L288 HydrophobicContact CB-CD2 4.09Å; A15-L288 HydrophobicContact CB-CG 4.26Å; L19-L288 HydrophobicContact CD2-CB 4.44Å; L19-L288 HydrophobicContact CD2-CD2 3.84Å; L19-L288 HydrophobicContact CG-CD2 3.89Å; M284-L288 WeakPolarHBondContact O-CB 3.44Å; M284-L288 PolarHBondContact O-N 3.5Å; M284-L288 VanDerWaalsContact O-N 3.12Å; Q285-L288 PolarHBondContact O-N 3.21Å; N286-L288 VanDerWaalsContact C-N 3.34Å; N286-L288 PolarHBondContact O-N 3.17Å; L288-A291 PolarHBondContact O-N 3.37Å; L288-M292 HydrophobicContact CD1-CE 3.94Å; L288-M292 HydrophobicContact CD1-CG 4.25Å; L288-M292 HydrophobicContact CD2-CE 4.24Å; L288-M292 HydrophobicContact CG-CE 4.09Å; L288-M292 HydrophobicContact CG-CG 4.47Å; L288-M292 HydrophobicContact CG-SD 4.31Å; L288-M292 WeakPolarHBondContact O-CB 3.48Å; L288-M292 WeakPolarHBondContact O-CG 3.44Å; L288-M292 PolarHBondContact O-N 2.73Å; L288-G307 WeakPolarHBondContact CD1-O 3.44Å; L288-L308 HydrophobicContact CD1-CD2 4.36Å |
| 289 | I | 98.7 | Very high | 98.3 | Very high | 5 Ų | 5 | 24.8 Ų | 24.8 | 3% | 0.026 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.7 | -49.1 | 178.5 | -70.4 | 167.9 | 0 | 0 | 0 | 110.1 | Y8 V11 A15 Q285 N286 A291 M292 M293 P397 | Y8-I289 HydrophobicContact CD2-CG2 4.47Å; Y8-I289 HydrophobicContact CE2-CG2 3.79Å; V11-I289 HydrophobicContact CG1-CG2 4.21Å; A15-I289 HydrophobicContact CB-CG1 3.72Å; Q285-I289 HydrophobicContact CG-CD1 3.88Å; Q285-I289 WeakPolarHBondContact O-CG1 3.31Å; Q285-I289 PolarHBondContact O-N 3.14Å; N286-I289 PolarHBondContact O-N 2.85Å; I289-A291 PolarHBondContact O-N 3.31Å; I289-M292 PolarHBondContact O-N 3.48Å; I289-M293 HydrophobicContact CG2-CG 4.37Å; I289-M293 WeakPolarHBondContact O-CB 3.46Å; I289-M293 VanDerWaalsContact O-CG 3.29Å; I289-M293 WeakPolarHBondContact O-CG 3.43Å; I289-M293 PolarHBondContact O-N 3.4Å; I289-P397 HydrophobicContact CB-CB 4.33Å; I289-P397 HydrophobicContact CD1-CB 4.01Å; I289-P397 HydrophobicContact CD1-CG 4.09Å; I289-P397 HydrophobicContact CG2-CB 4.11Å |
| 290 | V | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.8 | -44.8 | 178.4 | 170.3 | 0 | 0 | 0 | 0 | 110.8 | N286 M292 M293 L294 I328 L390 V392 L400 L404 | N286-V290 WeakPolarHBondContact O-CB 3.42Å; N286-V290 WeakPolarHBondContact O-CG2 3.35Å; N286-V290 PolarHBondContact O-N 3.27Å; V290-M292 PolarHBondContact O-N 2.89Å; V290-M293 PolarHBondContact O-N 3.48Å; V290-L294 HydrophobicContact CG1-CD1 3.88Å; V290-L294 HydrophobicContact CG1-CG 4.33Å; V290-L294 WeakPolarHBondContact O-CB 3.38Å; V290-L294 VanDerWaalsContact O-CG 3.32Å; V290-L294 WeakPolarHBondContact O-CG 3.44Å; V290-L294 PolarHBondContact O-N 2.77Å; V290-I328 HydrophobicContact CB-CD1 3.96Å; V290-I328 HydrophobicContact CG1-CD1 3.69Å; V290-L390 HydrophobicContact CG1-CD2 4.28Å; V290-V392 HydrophobicContact CB-CG2 4.21Å; V290-V392 HydrophobicContact CG1-CG2 4.12Å; V290-V392 HydrophobicContact CG2-CG1 4.12Å; V290-V392 HydrophobicContact CG2-CG2 4.41Å; V290-L400 HydrophobicContact CG2-CB 4.04Å; V290-L404 HydrophobicContact CG1-CD1 3.51Å |
| 291 | A | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.3 | -44.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | G287 L288 I289 L294 E295 V303 H305 L308 I328 | G287-A291 WeakPolarHBondContact O-CB 3.31Å; G287-A291 PolarHBondContact O-N 3.23Å; L288-A291 PolarHBondContact O-N 3.37Å; I289-A291 PolarHBondContact O-N 3.31Å; A291-L294 PolarHBondContact O-N 3.16Å; A291-E295 PolarHBondContact O-N 3.49Å; A291-V303 HydrophobicContact CB-CG1 4.04Å; A291-H305 HydrophobicContact CB-CB 3.74Å; A291-L308 HydrophobicContact CB-CD1 4.08Å; A291-L308 HydrophobicContact CB-CD2 4.15Å; A291-L308 HydrophobicContact CB-CG 4.18Å; A291-I328 HydrophobicContact CB-CD1 3.93Å; A291-I328 HydrophobicContact CB-CG1 4.23Å; A291-I328 HydrophobicContact CB-CG2 4.44Å |
| 292 | M | 98.5 | Very high | 98.2 | Very high | 10 Ų | 10 | 31.9 Ų | 31.9 | 5% | 0.049 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.1 | -37.8 | 177.1 | -77.3 | -174.1 | 171.6 | 0 | 0 | 112.4 | V11 R14 A15 L288 I289 V290 K296 L308 | V11-M292 HydrophobicContact CG1-CB 3.48Å; V11-M292 VanDerWaalsContact CG1-CB 3.48Å; V11-M292 HydrophobicContact CG1-CG 4.41Å; V11-M292 HydrophobicContact CG1-SD 4.13Å; V11-M292 HydrophobicContact CG2-CB 4.27Å; R14-M292 HydrophobicContact CB-SD 4.31Å; R14-M292 HydrophobicContact CG-CE 3.96Å; R14-M292 HydrophobicContact CG-SD 4.27Å; A15-M292 HydrophobicContact CB-SD 4.01Å; L288-M292 HydrophobicContact CD1-CE 3.94Å; L288-M292 HydrophobicContact CD1-CG 4.25Å; L288-M292 HydrophobicContact CD2-CE 4.24Å; L288-M292 HydrophobicContact CG-CE 4.09Å; L288-M292 HydrophobicContact CG-CG 4.47Å; L288-M292 HydrophobicContact CG-SD 4.31Å; L288-M292 WeakPolarHBondContact O-CB 3.48Å; L288-M292 WeakPolarHBondContact O-CG 3.44Å; L288-M292 PolarHBondContact O-N 2.73Å; I289-M292 PolarHBondContact O-N 3.48Å; V290-M292 PolarHBondContact O-N 2.89Å; M292-K296 WeakPolarHBondContact O-CG 3.16Å; M292-L308 HydrophobicContact CB-CD2 4.37Å; M292-L308 HydrophobicContact CG-CD2 3.58Å |
| 293 | M | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.5 | -53 | 173.5 | -74.8 | -63.1 | -73 | 0 | 0 | 109.9 | F4 L7 Y8 V11 I289 V290 E295 K296 Y405 | F4-M293 HydrophobicContact CD2-CE 3.82Å; F4-M293 HydrophobicContact CE2-CE 3.4Å; F4-M293 VanDerWaalsContact CE2-CE 3.4Å; F4-M293 HydrophobicContact CZ-CE 3.98Å; L7-M293 HydrophobicContact CD2-CE 4.32Å; L7-M293 HydrophobicContact CD2-SD 4.47Å; L7-M293 HydrophobicContact CG-CE 4.32Å; L7-M293 HydrophobicContact CG-SD 4.07Å; Y8-M293 HydrophobicContact CD2-CE 4.24Å; Y8-M293 HydrophobicContact CD2-CG 4.42Å; Y8-M293 HydrophobicContact CD2-SD 4.22Å; V11-M293 HydrophobicContact CB-CG 4.41Å; V11-M293 HydrophobicContact CB-SD 3.92Å; V11-M293 HydrophobicContact CG1-CG 4.07Å; V11-M293 HydrophobicContact CG1-SD 4.25Å; V11-M293 HydrophobicContact CG2-CG 4.41Å; V11-M293 HydrophobicContact CG2-SD 3.71Å; I289-M293 HydrophobicContact CG2-CG 4.37Å; I289-M293 WeakPolarHBondContact O-CB 3.46Å; I289-M293 VanDerWaalsContact O-CG 3.29Å; I289-M293 WeakPolarHBondContact O-CG 3.43Å; I289-M293 PolarHBondContact O-N 3.4Å; V290-M293 PolarHBondContact O-N 3.48Å; M293-E295 VanDerWaalsContact C-N 3.29Å; M293-E295 PolarHBondContact O-N 3.08Å; M293-K296 PolarHBondContact O-N 3.3Å; M293-Y405 HydrophobicContact CB-CE2 3.78Å; M293-Y405 HydrophobicContact CE-CD2 4.26Å; M293-Y405 HydrophobicContact CE-CE1 4.22Å; M293-Y405 HydrophobicContact CE-CE2 3.78Å; M293-Y405 PolarHBondContact O-OH 3.16Å |
| 294 | L | 98.6 | Very high | 98.1 | Very high | 4 Ų | 4 | 30.5 Ų | 30.5 | 2% | 0.021 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -54.7 | -42.1 | 178.3 | -72.5 | 171.2 | 0 | 0 | 0 | 112.5 | V290 A291 K296 H297 V300 V303 V330 L390 L404 L408 | V290-L294 HydrophobicContact CG1-CD1 3.88Å; V290-L294 HydrophobicContact CG1-CG 4.33Å; V290-L294 WeakPolarHBondContact O-CB 3.38Å; V290-L294 VanDerWaalsContact O-CG 3.32Å; V290-L294 WeakPolarHBondContact O-CG 3.44Å; V290-L294 PolarHBondContact O-N 2.77Å; A291-L294 PolarHBondContact O-N 3.16Å; L294-K296 PolarHBondContact O-N 2.89Å; L294-H297 PolarHBondContact O-N 2.81Å; L294-V300 HydrophobicContact CB-CG2 4.34Å; L294-V300 HydrophobicContact CD2-CG2 4.15Å; L294-V300 WeakPolarHBondContact O-CB 3.33Å; L294-V300 WeakPolarHBondContact O-CG1 3.34Å; L294-V300 VanDerWaalsContact O-CG2 3.3Å; L294-V300 WeakPolarHBondContact O-CG2 3.32Å; L294-V303 HydrophobicContact CB-CG2 3.87Å; L294-V330 HydrophobicContact CD1-CG2 4.45Å; L294-L390 HydrophobicContact CD1-CD2 4.12Å; L294-L404 HydrophobicContact CD1-CD1 4.37Å; L294-L404 HydrophobicContact CD2-CB 4.38Å; L294-L404 HydrophobicContact CD2-CD1 4.3Å; L294-L404 HydrophobicContact CG-CD1 4.47Å; L294-L408 HydrophobicContact CD2-CD1 3.77Å |
| 295 | E | 97.7 | Very high | 98.1 | Very high | 63 Ų | 63 | 30.3 Ų | 30.3 | 29% | 0.294 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -19.1 | 178.6 | -166 | -175.8 | -117.3 | 0 | 0 | 113.4 | A291 M293 V303 S310 | A291-E295 PolarHBondContact O-N 3.49Å; M293-E295 VanDerWaalsContact C-N 3.29Å; M293-E295 PolarHBondContact O-N 3.08Å; E295-V303 HydrophobicContact CB-CG2 4.19Å; E295-S310 VanDerWaalsContact OE1-CB 3.24Å; E295-S310 WeakPolarHBondContact OE1-CB 3.31Å; E295-S310 PolarHBondContact OE1-OG 2.96Å |
| 296 | K | 97.6 | Very high | 98 | Very high | 101 Ų | 101 | 26.3 Ų | 26.3 | 44% | 0.439 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -8.4 | 179.3 | -60.2 | -62 | 176.5 | -155.1 | 0 | 114.1 | L7 M292 M293 L294 | L7-K296 HydrophobicContact CD1-CB 4.28Å; L7-K296 HydrophobicContact CD1-CG 4.17Å; L7-K296 HydrophobicContact CD2-CB 3.98Å; M292-K296 WeakPolarHBondContact O-CG 3.16Å; M293-K296 PolarHBondContact O-N 3.3Å; L294-K296 PolarHBondContact O-N 2.89Å |
| 297 | H | 97.6 | Very high | 97.9 | Very high | 7 Ų | 7 | 26.7 Ų | 26.7 | 3% | 0.032 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -84.4 | 132.8 | -177.2 | -165.5 | -77.3 | 0 | 0 | 0 | 111.7 | L294 M299 V300 Y405 L408 D409 | L294-H297 PolarHBondContact O-N 2.81Å; H297-M299 VanDerWaalsContact C-N 3.29Å; H297-M299 PolarHBondContact ND1-N 3.31Å; H297-M299 VanDerWaalsContact ND1-N 3.13Å; H297-M299 PolarHBondContact O-N 3.44Å; H297-V300 HydrophobicContact CB-CG2 4.03Å; H297-V300 WeakPolarHBondContact O-CB 3.33Å; H297-V300 PolarHBondContact O-N 3.25Å; H297-Y405 HydrophobicContact CB-CE2 4.38Å; H297-Y405 AromaticContact CD2-CD1 3.75Å; H297-Y405 AromaticContact CD2-CE1 3.74Å; H297-L408 HydrophobicContact CB-CD1 4.03Å; H297-L408 WeakPolarHBondContact CE1-CB 3.43Å; H297-D409 IonicContact NE2-OD1 3.28Å; H297-D409 PolarHBondContact NE2-OD1 3.14Å |
| 298 | P | 96.3 | Very high | 97.8 | Very high | 90 Ų | 90 | 27.1 Ų | 27.1 | 58% | 0.584 | 14% | 0.137 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -34.2 | -177.5 | -26.9 | 35 | 0 | 0 | 0 | 115.3 | V300 R333 | P298-V300 PolarHBondContact O-N 2.95Å; P298-R333 VanDerWaalsContact O-CD 3.31Å; P298-R333 WeakPolarHBondContact O-CD 3.44Å; P298-R333 PolarHBondContact O-NE 3.39Å |
| 299 | M | 97.1 | Very high | 97.7 | Very high | 13 Ų | 13 | 34.5 Ų | 34.5 | 6% | 0.064 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -4.5 | 176.3 | -66.4 | -56.6 | -65.5 | 0 | 0 | 114.5 | H297 L332 R333 C334 L408 L411 D412 | H297-M299 VanDerWaalsContact C-N 3.29Å; H297-M299 PolarHBondContact ND1-N 3.31Å; H297-M299 VanDerWaalsContact ND1-N 3.13Å; H297-M299 PolarHBondContact O-N 3.44Å; M299-L332 CarbonylContact O-C 3.57Å; M299-L332 WeakPolarHBondContact O-CA 3.43Å; M299-R333 HydrophobicContact CE-CB 4.38Å; M299-R333 WeakPolarHBondContact CE-O 3.15Å; M299-R333 PolarHBondContact O-N 3.05Å; M299-C334 HydrophobicContact CE-CB 4.35Å; M299-L408 HydrophobicContact CB-CD2 4.16Å; M299-L411 HydrophobicContact CE-CD2 4.05Å; M299-L411 HydrophobicContact CE-CG 4.04Å; M299-D412 HydrophobicContact CG-CB 3.6Å; M299-D412 HydrophobicContact SD-CB 3.94Å |
| 300 | V | 98.2 | Very high | 97.5 | Very high | 11 Ų | 11 | 37.4 Ų | 37.4 | 7% | 0.067 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 125.8 | 175.5 | 174.4 | 0 | 0 | 0 | 0 | 108.8 | L294 H297 P298 V303 V330 L332 R333 L408 | L294-V300 HydrophobicContact CB-CG2 4.34Å; L294-V300 HydrophobicContact CD2-CG2 4.15Å; L294-V300 WeakPolarHBondContact O-CB 3.33Å; L294-V300 WeakPolarHBondContact O-CG1 3.34Å; L294-V300 VanDerWaalsContact O-CG2 3.3Å; L294-V300 WeakPolarHBondContact O-CG2 3.32Å; H297-V300 HydrophobicContact CB-CG2 4.03Å; H297-V300 WeakPolarHBondContact O-CB 3.33Å; H297-V300 PolarHBondContact O-N 3.25Å; P298-V300 PolarHBondContact O-N 2.95Å; V300-V303 HydrophobicContact CG1-CG2 3.63Å; V300-V330 HydrophobicContact CG1-CG2 3.66Å; V300-V330 HydrophobicContact CG2-CG2 4.18Å; V300-L332 HydrophobicContact CG2-CD2 3.93Å; V300-R333 PolarHBondContact O-NE 2.74Å; V300-L408 HydrophobicContact CG2-CD1 3.98Å |
| 301 | E | 97.7 | Very high | 97.4 | Very high | 103 Ų | 103 | 38 Ų | 38 | 48% | 0.481 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | -48.3 | 176.3 | -177.6 | 179.1 | 162 | 0 | 0 | 111.3 | Y331 R333 | E301-Y331 WeakPolarHBondContact CB-O 3.42Å; E301-Y331 PolarHBondContact N-O 3.18Å; E301-R333 HydrophobicContact CB-CG 3.88Å |
| 302 | K | 97.7 | Very high | 97.2 | Very high | 113 Ų | 113 | 41.1 Ų | 41.1 | 49% | 0.491 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 143.4 | -172.7 | -171 | -179 | -172.9 | -172.4 | 0 | 110.4 | L304 V330 Y331 | K302-L304 HydrophobicContact CD-CD2 4.31Å; K302-V330 WeakPolarHBondContact O-CA 3.34Å; K302-Y331 HydrophobicContact CB-CD2 4.11Å; K302-Y331 HydrophobicContact CD-CD2 4.49Å; K302-Y331 PolarHBondContact N-O 3.48Å; K302-Y331 PolarHBondContact O-N 3.41Å |
| 303 | V | 98.4 | Very high | 97.1 | Very high | 6 Ų | 6 | 42.6 Ų | 42.6 | 4% | 0.036 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 135.3 | 170.9 | -172.8 | 0 | 0 | 0 | 0 | 108.6 | A291 L294 E295 V300 L308 I328 T329 V330 | A291-V303 HydrophobicContact CB-CG1 4.04Å; L294-V303 HydrophobicContact CB-CG2 3.87Å; E295-V303 HydrophobicContact CB-CG2 4.19Å; V300-V303 HydrophobicContact CG1-CG2 3.63Å; V303-L308 HydrophobicContact CB-CD1 3.75Å; V303-L308 HydrophobicContact CG1-CD1 3.59Å; V303-I328 HydrophobicContact CG1-CG2 3.57Å; V303-T329 CarbonylContact C-O 3.51Å; V303-T329 WeakPolarHBondContact CA-O 3.4Å; V303-V330 HydrophobicContact CG2-CG2 4.16Å |
| 304 | L | 98.2 | Very high | 96.9 | Very high | 14 Ų | 14 | 46.4 Ų | 46.4 | 7% | 0.073 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 108.2 | 170.6 | -56.6 | 172.9 | 0 | 0 | 0 | 108 | L175 M176 K302 F311 T329 Y331 | L175-L304 WeakPolarHBondContact O-CD1 3.42Å; M176-L304 HydrophobicContact CB-CB 4.32Å; K302-L304 HydrophobicContact CD-CD2 4.31Å; L304-F311 HydrophobicContact CB-CD2 4.31Å; L304-F311 HydrophobicContact CB-CE2 4.26Å; L304-T329 HydrophobicContact CD1-CG2 4.45Å; L304-T329 PolarHBondContact N-O 2.54Å; L304-T329 PolarHBondContact O-N 3.02Å; L304-T329 VanDerWaalsContact O-N 3.11Å; L304-Y331 HydrophobicContact CD1-CE2 4.17Å |
| 305 | H | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | trans | -149.8 | 126.1 | 173.4 | 176.9 | -84.1 | 0 | 0 | 0 | 108.4 | A291 G307 L308 F311 M327 | A291-H305 HydrophobicContact CB-CB 3.74Å; H305-G307 PolarHBondContact ND1-N 3.07Å; H305-G307 PolarHBondContact O-N 3.4Å; H305-L308 HydrophobicContact CB-CD1 4.09Å; H305-L308 HydrophobicContact CB-CG 4.09Å; H305-L308 WeakPolarHBondContact O-CB 3.27Å; H305-L308 PolarHBondContact O-N 2.89Å; H305-F311 VanDerWaalsContact O-CB 3.3Å; H305-F311 WeakPolarHBondContact O-CB 3.44Å; H305-M327 PolarHBondContact CD2-O 3.04Å | ||
| 306 | P | 96.7 | Very high | 96.7 | Very high | 7 Ų | 7 | 49 Ų | 49 | 5% | 0.045 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -20.3 | -173.7 | -30.2 | 36.9 | 0 | 0 | 0 | 116.2 | M176 F311 I317 M321 F324 | M176-P306 VanDerWaalsContact CE-CD 3.46Å; M176-P306 HydrophobicContact CE-CG 3.86Å; P306-F311 HydrophobicContact CB-CD1 4.29Å; P306-F311 HydrophobicContact CB-CE1 4.18Å; P306-F311 HydrophobicContact CB-CZ 4.5Å; P306-F311 HydrophobicContact CG-CE1 4.14Å; P306-F311 HydrophobicContact CG-CE2 4.27Å; P306-F311 HydrophobicContact CG-CZ 3.97Å; P306-I317 HydrophobicContact CB-CD1 3.95Å; P306-I317 HydrophobicContact CB-CG1 4.26Å; P306-I317 WeakPolarHBondContact O-CD1 3.33Å; P306-M321 HydrophobicContact CB-CE 3.89Å; P306-M321 HydrophobicContact CG-CE 4.05Å; P306-F324 HydrophobicContact CB-CD1 3.52Å; P306-F324 HydrophobicContact CB-CE1 3.71Å; P306-F324 HydrophobicContact CB-CG 4.37Å |
| 307 | G | 96 | Very high | 96.6 | Very high | 12 Ų | 12 | 45.3 Ų | 45.3 | 12% | 0.124 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -4.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | L288 H305 | L288-G307 WeakPolarHBondContact CD1-O 3.44Å; H305-G307 PolarHBondContact ND1-N 3.07Å; H305-G307 PolarHBondContact O-N 3.4Å |
| 308 | L | 97.1 | Very high | 96.5 | Very high | 9 Ų | 9 | 49.6 Ų | 49.6 | 5% | 0.047 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -86.4 | 142.5 | 176 | -64.7 | 177.6 | 0 | 0 | 0 | 111.1 | L288 A291 M292 V303 H305 S310 F311 | L288-L308 HydrophobicContact CD1-CD2 4.36Å; A291-L308 HydrophobicContact CB-CD1 4.08Å; A291-L308 HydrophobicContact CB-CD2 4.15Å; A291-L308 HydrophobicContact CB-CG 4.18Å; M292-L308 HydrophobicContact CB-CD2 4.37Å; M292-L308 HydrophobicContact CG-CD2 3.58Å; V303-L308 HydrophobicContact CB-CD1 3.75Å; V303-L308 HydrophobicContact CG1-CD1 3.59Å; H305-L308 HydrophobicContact CB-CD1 4.09Å; H305-L308 HydrophobicContact CB-CG 4.09Å; H305-L308 WeakPolarHBondContact O-CB 3.27Å; H305-L308 PolarHBondContact O-N 2.89Å; L308-S310 PolarHBondContact O-N 2.89Å; L308-F311 HydrophobicContact CB-CB 4.47Å; L308-F311 VanDerWaalsContact O-CB 3.27Å; L308-F311 WeakPolarHBondContact O-CB 3.48Å; L308-F311 PolarHBondContact O-N 2.89Å; L308-F311 VanDerWaalsContact O-N 3.1Å |
| 309 | E | 94.8 | Very high | 96.5 | Very high | 155 Ų | 155 | 49.7 Ų | 49.7 | 72% | 0.724 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -25.7 | 173.5 | -73.6 | 171.3 | -153.9 | 0 | 0 | 113 | R14 F311 | R14-E309 IonicContact CZ-OE1 3.68Å; R14-E309 IonicContact NE-OE1 2.65Å; R14-E309 IonicContact NH2-OE1 2.81Å; R14-E309 PolarHBondContact NH2-OE1 2.98Å; R14-E309 IonicContact NH2-OE2 3.64Å; R14-E309 PolarHBondContact NH2-OE2 3.25Å; E309-F311 VanDerWaalsContact C-N 3.26Å; E309-F311 PolarHBondContact O-N 3.32Å |
| 310 | S | 96.1 | Very high | 96.5 | Very high | 67 Ų | 67 | 49 Ų | 49 | 47% | 0.469 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -10.9 | 177.1 | 58.7 | 0 | 0 | 0 | 0 | 113.6 | E295 L308 | E295-S310 VanDerWaalsContact OE1-CB 3.24Å; E295-S310 WeakPolarHBondContact OE1-CB 3.31Å; E295-S310 PolarHBondContact OE1-OG 2.96Å; L308-S310 PolarHBondContact O-N 2.89Å |
| 311 | F | 96.8 | Very high | 96.5 | Very high | 11 Ų | 11 | 48.8 Ų | 48.8 | 5% | 0.048 | 26% | 0.262 | C | S | . | . | trans | -74.1 | 131.8 | -178.2 | -173.6 | -94.1 | 0 | 0 | 0 | 110.7 | M176 L178 L304 H305 P306 L308 E309 I317 | M176-F311 HydrophobicContact CB-CE2 4.03Å; M176-F311 HydrophobicContact CB-CZ 4.47Å; M176-F311 WeakPolarHBondContact O-CZ 3.39Å; L178-F311 HydrophobicContact CD1-CE1 3.86Å; L178-F311 HydrophobicContact CD1-CZ 4.45Å; L178-F311 HydrophobicContact CG-CE1 4.04Å; L178-F311 HydrophobicContact CG-CZ 4.16Å; L304-F311 HydrophobicContact CB-CD2 4.31Å; L304-F311 HydrophobicContact CB-CE2 4.26Å; H305-F311 VanDerWaalsContact O-CB 3.3Å; H305-F311 WeakPolarHBondContact O-CB 3.44Å; P306-F311 HydrophobicContact CB-CD1 4.29Å; P306-F311 HydrophobicContact CB-CE1 4.18Å; P306-F311 HydrophobicContact CB-CZ 4.5Å; P306-F311 HydrophobicContact CG-CE1 4.14Å; P306-F311 HydrophobicContact CG-CE2 4.27Å; P306-F311 HydrophobicContact CG-CZ 3.97Å; L308-F311 HydrophobicContact CB-CB 4.47Å; L308-F311 VanDerWaalsContact O-CB 3.27Å; L308-F311 WeakPolarHBondContact O-CB 3.48Å; L308-F311 PolarHBondContact O-N 2.89Å; L308-F311 VanDerWaalsContact O-N 3.1Å; E309-F311 VanDerWaalsContact C-N 3.26Å; E309-F311 PolarHBondContact O-N 3.32Å; F311-I317 HydrophobicContact CD1-CD1 3.52Å; F311-I317 HydrophobicContact CE1-CD1 3.84Å; F311-I317 HydrophobicContact CE1-CG1 4.46Å | ||
| 312 | P | 93.8 | Very high | 96.5 | Very high | 67 Ų | 67 | 46.9 Ų | 46.9 | 44% | 0.435 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -70.2 | 168.8 | 178.5 | 32.6 | -37 | 0 | 0 | 0 | 111 | ||
| 313 | Q | 96.2 | Very high | 96.5 | Very high | 41 Ų | 41 | 41.5 Ų | 41.5 | 19% | 0.192 | 23% | 0.228 | C | C | . | . | trans | 69.2 | 34.5 | 171.5 | -40.2 | 174.5 | -106.3 | 0 | 0 | 114.5 | L178 D315 I316 I317 | L178-Q313 HydrophobicContact CB-CB 4.49Å; L178-Q313 HydrophobicContact CD1-CB 4.32Å; L178-Q313 PolarHBondContact O-NE2 3.38Å; Q313-D315 VanDerWaalsContact C-OD1 3.24Å; Q313-D315 WeakPolarHBondContact CA-OD1 3.42Å; Q313-D315 PolarHBondContact O-N 3.36Å; Q313-I316 HydrophobicContact CB-CB 4.31Å; Q313-I316 HydrophobicContact CB-CG1 4.23Å; Q313-I316 PolarHBondContact O-N 3.21Å; Q313-I317 PolarHBondContact O-N 2.73Å; Q313-I317 VanDerWaalsContact O-N 3.14Å | ||
| 314 | S | 93.4 | Very high | 96.4 | Very high | 81 Ų | 81 | 41.9 Ų | 41.9 | 57% | 0.566 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -59.8 | -30.8 | 177 | 57.8 | 0 | 0 | 0 | 0 | 113.6 | I317 V318 | S314-I317 PolarHBondContact O-N 3.25Å; S314-V318 WeakPolarHBondContact O-CG2 3.07Å; S314-V318 PolarHBondContact O-N 3.43Å; S314-V318 VanDerWaalsContact O-N 3.1Å |
| 315 | D | 95.4 | Very high | 96.3 | Very high | 109 Ų | 109 | 41.3 Ų | 41.3 | 58% | 0.583 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -60 | -43.3 | 171.8 | 61.2 | -39.5 | 0 | 0 | 0 | 112.1 | Q313 K319 | Q313-D315 VanDerWaalsContact C-OD1 3.24Å; Q313-D315 WeakPolarHBondContact CA-OD1 3.42Å; Q313-D315 PolarHBondContact O-N 3.36Å; D315-K319 WeakPolarHBondContact O-CB 3.37Å; D315-K319 PolarHBondContact O-N 3.24Å |
| 316 | I | 97.4 | Very high | 96.4 | Very high | 13 Ų | 13 | 41.3 Ų | 41.3 | 7% | 0.067 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.7 | -41.4 | 177 | -56.3 | -51.2 | 0 | 0 | 0 | 111.2 | L178 D180 Q313 V318 K319 Q320 | L178-I316 HydrophobicContact CB-CB 4.37Å; L178-I316 HydrophobicContact CB-CG2 3.84Å; L178-I316 HydrophobicContact CD1-CB 4.22Å; L178-I316 HydrophobicContact CD1-CG2 4.11Å; D180-I316 HydrophobicContact CB-CD1 3.63Å; Q313-I316 HydrophobicContact CB-CB 4.31Å; Q313-I316 HydrophobicContact CB-CG1 4.23Å; Q313-I316 PolarHBondContact O-N 3.21Å; I316-V318 PolarHBondContact O-N 2.9Å; I316-K319 PolarHBondContact O-N 3.01Å; I316-Q320 HydrophobicContact CG2-CG 4.11Å; I316-Q320 PolarHBondContact O-N 3.19Å |
| 317 | I | 96.6 | Very high | 96.4 | Very high | 23 Ų | 23 | 41 Ų | 41 | 12% | 0.118 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -54.5 | -53.2 | 176.4 | -68 | 164 | 0 | 0 | 0 | 110.6 | L178 P306 F311 Q313 S314 K319 M321 F324 | L178-I317 HydrophobicContact CD1-CD1 4.29Å; L178-I317 HydrophobicContact CD1-CG1 3.46Å; L178-I317 VanDerWaalsContact CD1-CG1 3.46Å; P306-I317 HydrophobicContact CB-CD1 3.95Å; P306-I317 HydrophobicContact CB-CG1 4.26Å; P306-I317 WeakPolarHBondContact O-CD1 3.33Å; F311-I317 HydrophobicContact CD1-CD1 3.52Å; F311-I317 HydrophobicContact CE1-CD1 3.84Å; F311-I317 HydrophobicContact CE1-CG1 4.46Å; Q313-I317 PolarHBondContact O-N 2.73Å; Q313-I317 VanDerWaalsContact O-N 3.14Å; S314-I317 PolarHBondContact O-N 3.25Å; I317-K319 PolarHBondContact O-N 3.27Å; I317-M321 HydrophobicContact CB-SD 4.18Å; I317-M321 HydrophobicContact CG1-SD 3.8Å; I317-M321 HydrophobicContact CG2-CB 4.49Å; I317-M321 HydrophobicContact CG2-SD 4.24Å; I317-M321 WeakPolarHBondContact O-CB 3.31Å; I317-M321 PolarHBondContact O-N 3.14Å; I317-F324 HydrophobicContact CG2-CE1 3.69Å; I317-F324 HydrophobicContact CG2-CZ 4.16Å |
| 318 | V | 95.1 | Very high | 96.6 | Very high | 97 Ų | 97 | 40.4 Ų | 40.4 | 59% | 0.588 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -62.2 | -34.8 | -177.7 | 172.9 | 0 | 0 | 0 | 0 | 111.5 | S314 I316 | S314-V318 WeakPolarHBondContact O-CG2 3.07Å; S314-V318 PolarHBondContact O-N 3.43Å; S314-V318 VanDerWaalsContact O-N 3.1Å; I316-V318 PolarHBondContact O-N 2.9Å |
| 319 | K | 95.8 | Very high | 96.6 | Very high | 91 Ų | 91 | 40 Ų | 40 | 40% | 0.396 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -70.6 | -49.4 | -177.5 | -171.4 | -177.3 | -176.6 | -172.1 | 0 | 112.8 | D180 D315 I316 I317 | D180-K319 IonicContact OD1-NZ 2.78Å; D180-K319 PolarHBondContact OD1-NZ 3.05Å; D180-K319 IonicContact OD2-NZ 2.69Å; D180-K319 PolarHBondContact OD2-NZ 2.92Å; D315-K319 WeakPolarHBondContact O-CB 3.37Å; D315-K319 PolarHBondContact O-N 3.24Å; I316-K319 PolarHBondContact O-N 3.01Å; I317-K319 PolarHBondContact O-N 3.27Å |
| 320 | Q | 97 | Very high | 96.8 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -121.6 | -11 | -164.3 | 77.8 | -172.6 | 14.8 | 0 | 0 | 116.3 | S170 V179 I181 H214 I316 | S170-Q320 PolarHBondContact OG-NE2 3.46Å; V179-Q320 PolarHBondContact O-NE2 3.48Å; V179-Q320 PolarHBondContact O-OE1 2.97Å; I181-Q320 VanDerWaalsContact N-OE1 3.12Å; H214-Q320 VanDerWaalsContact CE1-CB 3.48Å; H214-Q320 WeakPolarHBondContact CE1-CB 2.88Å; H214-Q320 WeakPolarHBondContact NE2-CA 3.11Å; H214-Q320 WeakPolarHBondContact NE2-CB 3.46Å; I316-Q320 HydrophobicContact CG2-CG 4.11Å; I316-Q320 PolarHBondContact O-N 3.19Å |
| 321 | M | 97.6 | Very high | 96.9 | Very high | 5 Ų | 5 | 30.9 Ų | 30.9 | 3% | 0.025 | 17% | 0.165 | C | C | . | . | trans | -102 | 151.6 | -179.1 | -58.1 | 169.8 | 75 | 0 | 0 | 111.1 | P171 L178 M204 P306 I317 F324 | P171-M321 HydrophobicContact CG-CE 4.38Å; L178-M321 HydrophobicContact CD1-SD 3.84Å; L178-M321 HydrophobicContact CD2-SD 4.18Å; M204-M321 HydrophobicContact CE-CB 4.44Å; M204-M321 HydrophobicContact CE-CE 3.24Å; M204-M321 HydrophobicContact CE-CG 4.27Å; M204-M321 HydrophobicContact SD-CE 3.65Å; P306-M321 HydrophobicContact CB-CE 3.89Å; P306-M321 HydrophobicContact CG-CE 4.05Å; I317-M321 HydrophobicContact CB-SD 4.18Å; I317-M321 HydrophobicContact CG1-SD 3.8Å; I317-M321 HydrophobicContact CG2-CB 4.49Å; I317-M321 HydrophobicContact CG2-SD 4.24Å; I317-M321 WeakPolarHBondContact O-CB 3.31Å; I317-M321 PolarHBondContact O-N 3.14Å; M321-F324 HydrophobicContact CE-CD1 3.86Å; M321-F324 HydrophobicContact CE-CE1 4.33Å | ||
| 322 | R | 97.6 | Very high | 97 | Very high | 63 Ų | 63 | 30.4 Ų | 30.4 | 24% | 0.238 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -119.6 | 8.7 | 178.5 | -63.3 | -52.2 | -179.5 | -110.5 | 0.5 | 113.2 | A22 K24 F26 F208 | A22-R322 CarbonylContact O-C 3.56Å; K24-R322 HydrophobicContact CB-CB 4.38Å; K24-R322 PolarHBondContact N-O 3.37Å; K24-R322 WeakPolarHBondContact O-CB 3.24Å; K24-R322 WeakPolarHBondContact O-CD 3.36Å; K24-R322 VanDerWaalsContact O-CG 3.31Å; K24-R322 WeakPolarHBondContact O-CG 3.28Å; F26-R322 HydrophobicContact CD1-CG 4.48Å; F26-R322 HydrophobicContact CD2-CG 4.49Å; F26-R322 HydrophobicContact CE1-CG 3.89Å; F26-R322 HydrophobicContact CE2-CB 4.37Å; F26-R322 HydrophobicContact CE2-CG 3.9Å; F26-R322 HydrophobicContact CZ-CB 4.46Å; F26-R322 HydrophobicContact CZ-CG 3.55Å; F208-R322 WeakPolarHBondContact O-CB 3.48Å; F208-R322 PolarHBondContact O-N 3.41Å |
| 323 | G | 97.7 | Very high | 97.1 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | S | Bend | trans | 161.7 | -165.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | M204 F208 | M204-G323 VanDerWaalsContact CE-O 3.25Å; M204-G323 WeakPolarHBondContact CE-O 3.46Å; F208-G323 VanDerWaalsContact CD1-CA 3.49Å |
| 324 | F | 96 | Very high | 97.1 | Very high | 13 Ų | 13 | 32.8 Ų | 32.8 | 6% | 0.057 | 17% | 0.165 | C | C | . | . | trans | -135.1 | 143 | -178.1 | -43.3 | -59.6 | 0 | 0 | 0 | 109.8 | A22 F208 M284 P306 I317 M321 | A22-F324 HydrophobicContact CB-CD2 4.38Å; A22-F324 HydrophobicContact CB-CE2 3.43Å; A22-F324 VanDerWaalsContact CB-CE2 3.43Å; A22-F324 HydrophobicContact CB-CZ 3.73Å; F208-F324 WeakPolarHBondContact CE2-O 3.45Å; M284-F324 VanDerWaalsContact CA-O 3.29Å; M284-F324 WeakPolarHBondContact CA-O 3.23Å; M284-F324 WeakPolarHBondContact CB-O 3.46Å; M284-F324 HydrophobicContact CE-CD2 3.87Å; M284-F324 HydrophobicContact CE-CE2 4.11Å; M284-F324 HydrophobicContact CG-CB 4.26Å; M284-F324 HydrophobicContact CG-CD2 4.26Å; M284-F324 WeakPolarHBondContact CG-O 3.33Å; P306-F324 HydrophobicContact CB-CD1 3.52Å; P306-F324 HydrophobicContact CB-CE1 3.71Å; P306-F324 HydrophobicContact CB-CG 4.37Å; I317-F324 HydrophobicContact CG2-CE1 3.69Å; I317-F324 HydrophobicContact CG2-CZ 4.16Å; M321-F324 HydrophobicContact CE-CD1 3.86Å; M321-F324 HydrophobicContact CE-CE1 4.33Å | ||
| 325 | S | 97.8 | Very high | 97.2 | Very high | 3 Ų | 3 | 32.7 Ų | 32.7 | 2% | 0.021 | 16% | 0.161 | C | C | . | . | trans | -78.9 | 179.1 | 169.8 | 62.3 | 0 | 0 | 0 | 0 | 111.9 | F203 M327 | F203-S325 WeakPolarHBondContact O-CB 3.48Å; F203-S325 PolarHBondContact O-OG 3.26Å; S325-M327 PolarHBondContact O-N 3.25Å; S325-M327 WeakPolarHBondContact OG-CG 3.25Å | ||
| 326 | G | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -78.4 | 13 | 177 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y226 V392 | Y226-G326 WeakPolarHBondContact OH-CA 3.38Å; Y226-G326 PolarHBondContact OH-N 3.06Å; G326-V392 WeakPolarHBondContact O-CB 3.24Å; G326-V392 PolarHBondContact O-N 3.17Å |
| 327 | M | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 127.2 | -175.6 | -58.7 | -48.9 | -57.2 | 0 | 0 | 111.5 | M176 F203 Y226 H305 S325 L355 R389 L390 | M176-M327 HydrophobicContact CE-CB 3.99Å; M176-M327 WeakPolarHBondContact CE-O 3.41Å; M176-M327 HydrophobicContact SD-CB 3.8Å; F203-M327 HydrophobicContact CD1-CG 4.44Å; F203-M327 HydrophobicContact CD2-CB 3.98Å; F203-M327 HydrophobicContact CD2-CG 3.77Å; F203-M327 HydrophobicContact CE1-CE 4.39Å; F203-M327 HydrophobicContact CE2-CB 3.93Å; F203-M327 HydrophobicContact CE2-CE 4.22Å; F203-M327 HydrophobicContact CE2-CG 3.87Å; F203-M327 HydrophobicContact CG-CG 4.07Å; F203-M327 HydrophobicContact CZ-CE 3.88Å; F203-M327 HydrophobicContact CZ-CG 4.25Å; Y226-M327 HydrophobicContact CE2-CG 4.04Å; Y226-M327 HydrophobicContact CE2-SD 4.03Å; Y226-M327 PolarHBondContact OH-SD 2.97Å; H305-M327 PolarHBondContact CD2-O 3.04Å; S325-M327 PolarHBondContact O-N 3.25Å; S325-M327 WeakPolarHBondContact OG-CG 3.25Å; M327-L355 HydrophobicContact CE-CB 3.71Å; M327-L355 HydrophobicContact CE-CD1 4.36Å; M327-L355 HydrophobicContact CE-CD2 3.91Å; M327-L355 HydrophobicContact CE-CG 4.19Å; M327-L355 HydrophobicContact SD-CB 3.72Å; M327-L355 HydrophobicContact SD-CD1 3.82Å; M327-L355 HydrophobicContact SD-CD2 4.45Å; M327-L355 HydrophobicContact SD-CG 4.18Å; M327-R389 HydrophobicContact CE-CG 3.92Å; M327-L390 WeakPolarHBondContact CA-O 3.31Å; M327-L390 WeakPolarHBondContact CE-O 3.41Å |
| 328 | I | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 137.5 | 178.3 | -53.9 | 167.6 | 0 | 0 | 0 | 109.2 | G287 V290 A291 V303 R389 L390 V392 | G287-I328 WeakPolarHBondContact O-CD1 3.18Å; V290-I328 HydrophobicContact CB-CD1 3.96Å; V290-I328 HydrophobicContact CG1-CD1 3.69Å; A291-I328 HydrophobicContact CB-CD1 3.93Å; A291-I328 HydrophobicContact CB-CG1 4.23Å; A291-I328 HydrophobicContact CB-CG2 4.44Å; V303-I328 HydrophobicContact CG1-CG2 3.57Å; I328-R389 CarbonylContact O-C 3.56Å; I328-R389 WeakPolarHBondContact O-CA 3.11Å; I328-L390 HydrophobicContact CB-CB 4.27Å; I328-L390 PolarHBondContact N-O 3.37Å; I328-L390 PolarHBondContact O-N 3.04Å; I328-V392 HydrophobicContact CD1-CG2 3.52Å; I328-V392 HydrophobicContact CG1-CG2 4.3Å |
| 329 | T | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 131.7 | 165.1 | -40.6 | 0 | 0 | 0 | 0 | 108.7 | P174 M176 V303 L304 Y331 M387 L388 | P174-T329 WeakPolarHBondContact O-CG2 3.26Å; P174-T329 PolarHBondContact O-OG1 2.98Å; M176-T329 VanDerWaalsContact CG-OG1 3.28Å; M176-T329 WeakPolarHBondContact CG-OG1 3.44Å; V303-T329 CarbonylContact C-O 3.51Å; V303-T329 WeakPolarHBondContact CA-O 3.4Å; L304-T329 HydrophobicContact CD1-CG2 4.45Å; L304-T329 PolarHBondContact N-O 2.54Å; L304-T329 PolarHBondContact O-N 3.02Å; L304-T329 VanDerWaalsContact O-N 3.11Å; T329-Y331 HydrophobicContact CG2-CE2 4.22Å; T329-M387 HydrophobicContact CG2-CE 4.18Å; T329-M387 HydrophobicContact CG2-CG 3.66Å; T329-M387 HydrophobicContact CG2-SD 3.46Å; T329-M387 WeakPolarHBondContact CG2-SD 3.47Å; T329-L388 WeakPolarHBondContact CA-O 2.87Å |
| 330 | V | 98.5 | Very high | 97.2 | Very high | 3 Ų | 3 | 29.9 Ų | 29.9 | 2% | 0.018 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 138.6 | -180 | 64.4 | 0 | 0 | 0 | 0 | 110.7 | L294 V300 K302 V303 L332 M387 L388 L390 | L294-V330 HydrophobicContact CD1-CG2 4.45Å; V300-V330 HydrophobicContact CG1-CG2 3.66Å; V300-V330 HydrophobicContact CG2-CG2 4.18Å; K302-V330 WeakPolarHBondContact O-CA 3.34Å; V303-V330 HydrophobicContact CG2-CG2 4.16Å; V330-L332 HydrophobicContact CG2-CD2 4.09Å; V330-M387 WeakPolarHBondContact O-CA 3.31Å; V330-L388 HydrophobicContact CG1-CB 3.71Å; V330-L388 HydrophobicContact CG1-CD1 4.31Å; V330-L388 PolarHBondContact N-O 3.38Å; V330-L388 PolarHBondContact O-N 3.5Å; V330-L390 HydrophobicContact CG1-CD1 3.55Å |
| 331 | Y | 98.3 | Very high | 97.1 | Very high | 27 Ų | 27 | 32.8 Ų | 32.8 | 11% | 0.106 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 128.5 | 172.5 | -66.6 | -99.2 | 0 | 0 | 0 | 108.4 | L175 E301 K302 L304 T329 G382 T384 M387 | L175-Y331 WeakPolarHBondContact CD2-OH 3.39Å; E301-Y331 WeakPolarHBondContact CB-O 3.42Å; E301-Y331 PolarHBondContact N-O 3.18Å; K302-Y331 HydrophobicContact CB-CD2 4.11Å; K302-Y331 HydrophobicContact CD-CD2 4.49Å; K302-Y331 PolarHBondContact N-O 3.48Å; K302-Y331 PolarHBondContact O-N 3.41Å; L304-Y331 HydrophobicContact CD1-CE2 4.17Å; T329-Y331 HydrophobicContact CG2-CE2 4.22Å; Y331-G382 VanDerWaalsContact CE1-O 3.26Å; Y331-G382 WeakPolarHBondContact CE1-O 3.28Å; Y331-G382 PolarHBondContact OH-O 2.91Å; Y331-T384 WeakPolarHBondContact CE1-OG1 3.37Å; Y331-M387 HydrophobicContact CD1-CB 3.88Å; Y331-M387 HydrophobicContact CD1-CG 4.11Å; Y331-M387 HydrophobicContact CD2-CG 4.42Å; Y331-M387 HydrophobicContact CE1-CB 3.65Å; Y331-M387 HydrophobicContact CE1-CG 3.68Å; Y331-M387 HydrophobicContact CE2-CG 4.01Å; Y331-M387 HydrophobicContact CG-CG 4.46Å |
| 332 | L | 98 | Very high | 97.1 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 147.9 | 178.3 | -60 | -172.4 | 0 | 0 | 0 | 111.5 | M299 V300 V330 C334 F342 N386 L388 L408 L411 | M299-L332 CarbonylContact O-C 3.57Å; M299-L332 WeakPolarHBondContact O-CA 3.43Å; V300-L332 HydrophobicContact CG2-CD2 3.93Å; V330-L332 HydrophobicContact CG2-CD2 4.09Å; L332-C334 WeakPolarHBondContact CB-SG 3.48Å; L332-C334 PolarHBondContact O-N 3.28Å; L332-F342 HydrophobicContact CD1-CB 4.48Å; L332-F342 HydrophobicContact CD1-CD1 3.77Å; L332-F342 HydrophobicContact CD1-CE1 4.13Å; L332-F342 HydrophobicContact CD1-CG 3.99Å; L332-N386 PolarHBondContact N-O 3.05Å; L332-N386 WeakPolarHBondContact O-CB 3.3Å; L332-N386 PolarHBondContact O-ND2 3.43Å; L332-L388 HydrophobicContact CD1-CD1 3.5Å; L332-L388 HydrophobicContact CG-CD1 3.92Å; L332-L408 HydrophobicContact CD1-CD2 4.17Å; L332-L408 HydrophobicContact CD2-CD2 3.72Å; L332-L411 HydrophobicContact CD1-CD2 4.39Å |
| 333 | R | 97.4 | Very high | 97.1 | Very high | 139 Ų | 139 | 30 Ų | 30 | 53% | 0.525 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -80 | 59 | 173.8 | -60.2 | -173.5 | -170.5 | -75.4 | -3.1 | 111 | P298 M299 V300 E301 | P298-R333 VanDerWaalsContact O-CD 3.31Å; P298-R333 WeakPolarHBondContact O-CD 3.44Å; P298-R333 PolarHBondContact O-NE 3.39Å; M299-R333 HydrophobicContact CE-CB 4.38Å; M299-R333 WeakPolarHBondContact CE-O 3.15Å; M299-R333 PolarHBondContact O-N 3.05Å; V300-R333 PolarHBondContact O-NE 2.74Å; E301-R333 HydrophobicContact CB-CG 3.88Å |
| 334 | C | 95.4 | Very high | 97 | Very high | 20 Ų | 20 | 34.6 Ų | 34.6 | 14% | 0.135 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -150.2 | 169.5 | -176.9 | 66.7 | 0 | 0 | 0 | 0 | 112.4 | M299 L332 Q338 T339 N386 L411 | M299-C334 HydrophobicContact CE-CB 4.35Å; L332-C334 WeakPolarHBondContact CB-SG 3.48Å; L332-C334 PolarHBondContact O-N 3.28Å; C334-Q338 HydrophobicContact CB-CB 3.67Å; C334-Q338 HydrophobicContact CB-CG 4.46Å; C334-Q338 VanDerWaalsContact CB-OE1 3.29Å; C334-T339 PolarHBondContact SG-OG1 3.03Å; C334-N386 WeakPolarHBondContact O-CB 3.31Å; C334-L411 HydrophobicContact CB-CD1 4.44Å; C334-L411 HydrophobicContact CB-CD2 3.97Å |
| 335 | T | 95.4 | Very high | 97 | Very high | 79 Ų | 79 | 36.6 Ų | 36.6 | 49% | 0.485 | 19% | 0.187 | S | C | . | . | trans | -73.6 | 166.7 | 175.1 | 68.8 | 0 | 0 | 0 | 0 | 111.8 | E337 Q338 T339 | T335-E337 VanDerWaalsContact C-N 3.27Å; T335-E337 PolarHBondContact O-N 3.41Å; T335-Q338 PolarHBondContact O-N 3Å; T335-Q338 WeakPolarHBondContact OG1-CB 3.4Å; T335-Q338 WeakPolarHBondContact OG1-CG 3.42Å; T335-Q338 PolarHBondContact OG1-N 3.21Å; T335-Q338 PolarHBondContact OG1-OE1 3.02Å; T335-T339 PolarHBondContact O-N 3.13Å; T335-T339 PolarHBondContact O-OG1 2.9Å | ||
| 336 | G | 94.6 | Very high | 97 | Very high | 10 Ų | 10 | 37.4 Ų | 37.4 | 10% | 0.103 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.1 | -38.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | T339 K340 | G336-T339 WeakPolarHBondContact O-CB 3.29Å; G336-T339 PolarHBondContact O-N 2.85Å; G336-K340 WeakPolarHBondContact O-CG 3.46Å; G336-K340 PolarHBondContact O-N 3.49Å |
| 337 | E | 95.5 | Very high | 97 | Very high | 123 Ų | 123 | 45.4 Ų | 45.4 | 58% | 0.575 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -66.6 | -41.6 | 177.7 | -164.7 | 70.6 | -178.5 | 0 | 0 | 112.2 | T335 T339 K340 T341 | T335-E337 VanDerWaalsContact C-N 3.27Å; T335-E337 PolarHBondContact O-N 3.41Å; E337-T339 VanDerWaalsContact C-N 3.31Å; E337-T339 PolarHBondContact O-N 3.07Å; E337-K340 PolarHBondContact O-N 3.44Å; E337-K340 IonicContact OE2-NZ 3.93Å; E337-K340 PolarHBondContact OE2-NZ 3.19Å; E337-K340 VanDerWaalsContact OE2-NZ 3.14Å; E337-T341 PolarHBondContact O-N 3.42Å; E337-T341 PolarHBondContact O-OG1 3.37Å; E337-T341 VanDerWaalsContact O-OG1 3.11Å |
| 338 | Q | 96.7 | Very high | 96.9 | Very high | 49 Ų | 49 | 48.2 Ų | 48.2 | 23% | 0.229 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.1 | -35.9 | 173.1 | -78.2 | 178.5 | -43.6 | 0 | 0 | 112.1 | C334 T335 T341 F342 L411 S415 | C334-Q338 HydrophobicContact CB-CB 3.67Å; C334-Q338 HydrophobicContact CB-CG 4.46Å; C334-Q338 VanDerWaalsContact CB-OE1 3.29Å; T335-Q338 PolarHBondContact O-N 3Å; T335-Q338 WeakPolarHBondContact OG1-CB 3.4Å; T335-Q338 WeakPolarHBondContact OG1-CG 3.42Å; T335-Q338 PolarHBondContact OG1-N 3.21Å; T335-Q338 PolarHBondContact OG1-OE1 3.02Å; Q338-T341 PolarHBondContact O-N 2.98Å; Q338-F342 WeakPolarHBondContact O-CB 3.38Å; Q338-F342 PolarHBondContact O-N 3.21Å; Q338-L411 HydrophobicContact CB-CD1 3.73Å; Q338-L411 HydrophobicContact CG-CD1 4.01Å; Q338-S415 PolarHBondContact NE2-OG 2.66Å |
| 339 | T | 96.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63 | -44.5 | 175.7 | -54.4 | 0 | 0 | 0 | 0 | 111.1 | C334 T335 G336 E337 T341 F342 T343 I364 E385 N386 L388 | C334-T339 PolarHBondContact SG-OG1 3.03Å; T335-T339 PolarHBondContact O-N 3.13Å; T335-T339 PolarHBondContact O-OG1 2.9Å; G336-T339 WeakPolarHBondContact O-CB 3.29Å; G336-T339 PolarHBondContact O-N 2.85Å; E337-T339 VanDerWaalsContact C-N 3.31Å; E337-T339 PolarHBondContact O-N 3.07Å; T339-T341 PolarHBondContact O-N 3.32Å; T339-F342 WeakPolarHBondContact O-CB 3.36Å; T339-F342 PolarHBondContact O-N 3.07Å; T339-T343 WeakPolarHBondContact O-CG2 3.48Å; T339-T343 PolarHBondContact O-N 3.18Å; T339-T343 VanDerWaalsContact O-N 3.07Å; T339-T343 PolarHBondContact O-OG1 2.96Å; T339-I364 HydrophobicContact CG2-CD1 4.18Å; T339-I364 HydrophobicContact CG2-CG1 4.17Å; T339-E385 WeakPolarHBondContact CG2-O 3.36Å; T339-N386 WeakPolarHBondContact OG1-CA 3.49Å; T339-L388 HydrophobicContact CG2-CD1 4.21Å; T339-L388 HydrophobicContact CG2-CD2 3.74Å; T339-L388 HydrophobicContact CG2-CG 3.92Å |
| 340 | K | 96.8 | Very high | 96.9 | Very high | 91 Ų | 91 | 52.1 Ų | 52.1 | 40% | 0.396 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -57.8 | -49.4 | 172.4 | -65.4 | 171.8 | -166.8 | 161.6 | 0 | 110.9 | G336 E337 F342 T343 T344 I364 I367 | G336-K340 WeakPolarHBondContact O-CG 3.46Å; G336-K340 PolarHBondContact O-N 3.49Å; E337-K340 PolarHBondContact O-N 3.44Å; E337-K340 IonicContact OE2-NZ 3.93Å; E337-K340 PolarHBondContact OE2-NZ 3.19Å; E337-K340 VanDerWaalsContact OE2-NZ 3.14Å; K340-F342 VanDerWaalsContact C-N 3.32Å; K340-F342 PolarHBondContact O-N 2.88Å; K340-T343 PolarHBondContact O-N 3.29Å; K340-T343 VanDerWaalsContact O-N 3.15Å; K340-T343 PolarHBondContact O-OG1 3.4Å; K340-T344 WeakPolarHBondContact O-CG2 3.35Å; K340-T344 PolarHBondContact O-N 2.99Å; K340-T344 PolarHBondContact O-OG1 3.13Å; K340-I364 HydrophobicContact CG-CD1 4.03Å; K340-I367 HydrophobicContact CG-CD1 4.39Å |
| 341 | T | 95.7 | Very high | 96.9 | Very high | 61 Ų | 61 | 55.6 Ų | 55.6 | 37% | 0.374 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.3 | -42.9 | -179.8 | -62.6 | 0 | 0 | 0 | 0 | 111.6 | E337 Q338 T339 T344 N345 | E337-T341 PolarHBondContact O-N 3.42Å; E337-T341 PolarHBondContact O-OG1 3.37Å; E337-T341 VanDerWaalsContact O-OG1 3.11Å; Q338-T341 PolarHBondContact O-N 2.98Å; T339-T341 PolarHBondContact O-N 3.32Å; T341-T344 WeakPolarHBondContact CA-OG1 3.43Å; T341-T344 PolarHBondContact O-N 3.3Å; T341-T344 PolarHBondContact O-OG1 3.18Å; T341-N345 WeakPolarHBondContact CG2-ND2 3.35Å; T341-N345 PolarHBondContact O-N 3.07Å; T341-N345 PolarHBondContact O-ND2 3.18Å |
| 342 | F | 97.3 | Very high | 96.8 | Very high | 6 Ų | 6 | 55.8 Ų | 55.8 | 3% | 0.026 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -55.4 | -53.7 | 173.5 | 169.2 | -100.2 | 0 | 0 | 0 | 111.1 | L332 Q338 T339 K340 T344 N345 L346 I362 L388 L404 A407 L408 L411 | L332-F342 HydrophobicContact CD1-CB 4.48Å; L332-F342 HydrophobicContact CD1-CD1 3.77Å; L332-F342 HydrophobicContact CD1-CE1 4.13Å; L332-F342 HydrophobicContact CD1-CG 3.99Å; Q338-F342 WeakPolarHBondContact O-CB 3.38Å; Q338-F342 PolarHBondContact O-N 3.21Å; T339-F342 WeakPolarHBondContact O-CB 3.36Å; T339-F342 PolarHBondContact O-N 3.07Å; K340-F342 VanDerWaalsContact C-N 3.32Å; K340-F342 PolarHBondContact O-N 2.88Å; F342-T344 VanDerWaalsContact C-N 3.28Å; F342-T344 PolarHBondContact O-N 2.9Å; F342-N345 PolarHBondContact O-N 3.38Å; F342-N345 VanDerWaalsContact O-N 3.08Å; F342-L346 HydrophobicContact CE1-CD1 4.04Å; F342-L346 HydrophobicContact CE2-CD2 4.33Å; F342-L346 HydrophobicContact CZ-CD1 4.24Å; F342-L346 HydrophobicContact CZ-CD2 4.11Å; F342-I362 HydrophobicContact CE1-CD1 3.95Å; F342-L388 HydrophobicContact CD1-CD1 3.65Å; F342-L388 HydrophobicContact CE1-CD1 3.62Å; F342-L404 HydrophobicContact CZ-CD2 3.9Å; F342-A407 HydrophobicContact CD2-CB 3.74Å; F342-A407 HydrophobicContact CE2-CB 3.48Å; F342-A407 VanDerWaalsContact CE2-CB 3.48Å; F342-A407 HydrophobicContact CZ-CB 4.46Å; F342-L408 HydrophobicContact CD2-CD2 4.04Å; F342-L408 HydrophobicContact CD2-CG 4.39Å; F342-L408 HydrophobicContact CE2-CB 4.46Å; F342-L408 HydrophobicContact CE2-CD2 3.62Å; F342-L408 HydrophobicContact CE2-CG 3.62Å; F342-L408 HydrophobicContact CZ-CD2 4.09Å; F342-L408 HydrophobicContact CZ-CG 4.16Å; F342-L411 HydrophobicContact CB-CD2 4.37Å |
| 343 | T | 97 | Very high | 96.7 | Very high | 4 Ų | 4 | 60.9 Ų | 60.9 | 3% | 0.025 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.5 | -32.5 | -177.7 | 57.6 | 0 | 0 | 0 | 0 | 113.8 | T339 K340 N345 I362 I364 L388 | T339-T343 WeakPolarHBondContact O-CG2 3.48Å; T339-T343 PolarHBondContact O-N 3.18Å; T339-T343 VanDerWaalsContact O-N 3.07Å; T339-T343 PolarHBondContact O-OG1 2.96Å; K340-T343 PolarHBondContact O-N 3.29Å; K340-T343 VanDerWaalsContact O-N 3.15Å; K340-T343 PolarHBondContact O-OG1 3.4Å; T343-N345 VanDerWaalsContact C-N 3.32Å; T343-I362 HydrophobicContact CG2-CD1 4.2Å; T343-I362 HydrophobicContact CG2-CG1 4.41Å; T343-I364 HydrophobicContact CG2-CD1 4.14Å; T343-I364 HydrophobicContact CG2-CG1 4.07Å; T343-L388 HydrophobicContact CG2-CD1 4.45Å; T343-L388 HydrophobicContact CG2-CD2 3.36Å |
| 344 | T | 96 | Very high | 96.6 | Very high | 97 Ų | 97 | 56 Ų | 56 | 60% | 0.595 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -79.8 | -11.7 | 178.1 | 55 | 0 | 0 | 0 | 0 | 114.2 | K340 T341 F342 L351 | K340-T344 WeakPolarHBondContact O-CG2 3.35Å; K340-T344 PolarHBondContact O-N 2.99Å; K340-T344 PolarHBondContact O-OG1 3.13Å; T341-T344 WeakPolarHBondContact CA-OG1 3.43Å; T341-T344 PolarHBondContact O-N 3.3Å; T341-T344 PolarHBondContact O-OG1 3.18Å; F342-T344 VanDerWaalsContact C-N 3.28Å; F342-T344 PolarHBondContact O-N 2.9Å; T344-L351 HydrophobicContact CG2-CD2 4.4Å |
| 345 | N | 95.6 | Very high | 96.7 | Very high | 56 Ų | 56 | 55 Ų | 55 | 30% | 0.299 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -94 | -8.5 | 178.8 | -81 | -63.4 | 0 | 0 | 0 | 113.4 | T341 F342 T343 K410 | T341-N345 WeakPolarHBondContact CG2-ND2 3.35Å; T341-N345 PolarHBondContact O-N 3.07Å; T341-N345 PolarHBondContact O-ND2 3.18Å; F342-N345 PolarHBondContact O-N 3.38Å; F342-N345 VanDerWaalsContact O-N 3.08Å; T343-N345 VanDerWaalsContact C-N 3.32Å; N345-K410 PolarHBondContact OD1-NZ 3.07Å |
| 346 | L | 98 | Very high | 96.8 | Very high | 19 Ų | 19 | 51.3 Ų | 51.3 | 10% | 0.099 | 27% | 0.27 | C | S | . | . | trans | -69.4 | 143.5 | 176.9 | -64.9 | 166.5 | 0 | 0 | 0 | 110.1 | F342 F349 I362 L404 A407 | F342-L346 HydrophobicContact CE1-CD1 4.04Å; F342-L346 HydrophobicContact CE2-CD2 4.33Å; F342-L346 HydrophobicContact CZ-CD1 4.24Å; F342-L346 HydrophobicContact CZ-CD2 4.11Å; L346-F349 HydrophobicContact CB-CB 4.27Å; L346-F349 HydrophobicContact CD1-CB 3.93Å; L346-I362 HydrophobicContact CD1-CD1 3.69Å; L346-I362 HydrophobicContact CD1-CG2 3.96Å; L346-L404 HydrophobicContact CD1-CD2 4.3Å; L346-L404 HydrophobicContact CD2-CD2 3.93Å; L346-A407 HydrophobicContact CD2-CB 3.7Å; L346-A407 HydrophobicContact CG-CB 4.45Å | ||
| 347 | K | 97.7 | Very high | 97 | Very high | 168 Ų | 168 | 50.9 Ų | 50.9 | 73% | 0.73 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -107.7 | -22.2 | -176.9 | -60 | 172 | -168.7 | 153.2 | 0 | 112.5 | D403 E406 | K347-D403 PolarHBondContact N-OD1 3.31Å; K347-D403 PolarHBondContact N-OD2 2.78Å; K347-E406 IonicContact NZ-OE2 3.85Å; K347-E406 PolarHBondContact NZ-OE2 3.48Å |
| 348 | L | 98.1 | Very high | 97.2 | Very high | 60 Ų | 60 | 50.6 Ų | 50.6 | 31% | 0.314 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -111.6 | -48.7 | -176.4 | -169.5 | 60 | 0 | 0 | 0 | 111.4 | T350 E395 D399 L400 D403 | L348-T350 PolarHBondContact O-N 3.17Å; L348-E395 HydrophobicContact CD1-CG 4.41Å; L348-E395 HydrophobicContact CD2-CB 4.39Å; L348-D399 HydrophobicContact CD2-CB 3.99Å; L348-L400 HydrophobicContact CD2-CD2 3.57Å; L348-L400 HydrophobicContact CD2-CG 4.03Å; L348-L400 HydrophobicContact CG-CD2 4.02Å; L348-D403 HydrophobicContact CB-CB 4.1Å; L348-D403 WeakPolarHBondContact CB-OD2 3.12Å; L348-D403 PolarHBondContact N-OD2 2.91Å |
| 349 | F | 98.6 | Very high | 97.3 | Very high | 5 Ų | 5 | 50.1 Ų | 50.1 | 2% | 0.022 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -66.7 | 123.9 | 172.7 | -79.2 | -96.3 | 0 | 0 | 0 | 110.5 | L346 S360 I362 L390 V392 L400 D403 L404 | L346-F349 HydrophobicContact CB-CB 4.27Å; L346-F349 HydrophobicContact CD1-CB 3.93Å; F349-S360 WeakPolarHBondContact CA-O 3.24Å; F349-I362 HydrophobicContact CB-CB 4.28Å; F349-I362 HydrophobicContact CB-CG2 4.04Å; F349-I362 HydrophobicContact CD1-CB 4.26Å; F349-L390 HydrophobicContact CD1-CD2 4.46Å; F349-L390 HydrophobicContact CD1-CG 4.5Å; F349-L390 HydrophobicContact CE1-CB 4.24Å; F349-L390 HydrophobicContact CE1-CD2 3.82Å; F349-L390 HydrophobicContact CE1-CG 4.13Å; F349-L390 HydrophobicContact CZ-CD2 4.03Å; F349-V392 HydrophobicContact CE1-CG2 4.36Å; F349-V392 HydrophobicContact CZ-CG2 4.35Å; F349-L400 HydrophobicContact CD2-CD2 4.22Å; F349-L400 HydrophobicContact CE2-CB 4.07Å; F349-L400 HydrophobicContact CE2-CD2 3.58Å; F349-L400 HydrophobicContact CE2-CG 4.45Å; F349-L400 HydrophobicContact CZ-CB 4.4Å; F349-L400 HydrophobicContact CZ-CD2 3.83Å; F349-D403 PolarHBondContact N-OD2 3.45Å; F349-L404 HydrophobicContact CD2-CD1 4.41Å; F349-L404 HydrophobicContact CD2-CD2 4.02Å; F349-L404 HydrophobicContact CD2-CG 4.01Å; F349-L404 HydrophobicContact CE2-CD1 3.6Å; F349-L404 HydrophobicContact CE2-CD2 4.03Å; F349-L404 HydrophobicContact CE2-CG 3.65Å; F349-L404 HydrophobicContact CZ-CD1 3.84Å; F349-L404 HydrophobicContact CZ-CG 4.33Å |
| 350 | T | 98.5 | Very high | 97.4 | Very high | 77 Ų | 77 | 50.1 Ų | 50.1 | 47% | 0.472 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 126.9 | 176.3 | -61 | 0 | 0 | 0 | 0 | 110.3 | L348 A352 S360 L361 I362 | L348-T350 PolarHBondContact O-N 3.17Å; T350-A352 HydrophobicContact CG2-CB 4.2Å; T350-A352 PolarHBondContact O-N 3.42Å; T350-A352 VanDerWaalsContact O-N 3.09Å; T350-S360 PolarHBondContact N-O 3.44Å; T350-L361 HydrophobicContact CG2-CD2 4.35Å; T350-L361 WeakPolarHBondContact O-CA 3.38Å; T350-I362 PolarHBondContact O-N 2.86Å |
| 351 | L | 97.8 | Very high | 97.5 | Very high | 75 Ų | 75 | 46.3 Ų | 46.3 | 39% | 0.393 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 99.2 | 171.5 | 178 | 61.3 | 0 | 0 | 0 | 109.8 | T344 I362 M368 | T344-L351 HydrophobicContact CG2-CD2 4.4Å; L351-I362 WeakPolarHBondContact CA-O 3.42Å; L351-I362 WeakPolarHBondContact CD1-O 3.5Å; L351-M368 HydrophobicContact CD1-CE 4.26Å; L351-M368 HydrophobicContact CD1-SD 3.9Å |
| 352 | A | 97 | Very high | 97.6 | Very high | 32 Ų | 32 | 43.5 Ų | 43.5 | 26% | 0.264 | 23% | 0.225 | S | C | . | . | trans | -156.3 | 156.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112 | T350 L361 I362 | T350-A352 HydrophobicContact CG2-CB 4.2Å; T350-A352 PolarHBondContact O-N 3.42Å; T350-A352 VanDerWaalsContact O-N 3.09Å; A352-L361 HydrophobicContact CB-CD2 4.24Å; A352-I362 PolarHBondContact N-O 3.23Å | ||
| 353 | E | 94.3 | Very high | 97.6 | Very high | 107 Ų | 107 | 43.2 Ų | 43.2 | 50% | 0.5 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -72.7 | 173.1 | 165.3 | -64.8 | -165.7 | 179.8 | 0 | 0 | 111.2 | M368 T369 | E353-M368 HydrophobicContact CG-CB 4.35Å; E353-M368 HydrophobicContact CG-CE 3.87Å; E353-T369 HydrophobicContact CB-CG2 4.38Å; E353-T369 HydrophobicContact CG-CG2 3.99Å |
| 354 | S | 95.4 | Very high | 97.6 | Very high | 36 Ų | 36 | 43.3 Ų | 43.3 | 25% | 0.252 | 22% | 0.224 | S | C | . | . | trans | 80.8 | -175.4 | -173.5 | -153.6 | 0 | 0 | 0 | 0 | 113.6 | K225 R389 | K225-S354 WeakPolarHBondContact CD-OG 3.07Å; K225-S354 WeakPolarHBondContact CE-OG 3.39Å; S354-R389 PolarHBondContact O-NH2 2.92Å | ||
| 355 | L | 98.3 | Very high | 97.6 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | trans | -171 | 167.5 | -175.5 | 58.8 | 101.2 | 0 | 0 | 0 | 111.5 | F203 K225 Y226 M327 G357 S391 | F203-L355 HydrophobicContact CD1-CD1 4.14Å; F203-L355 HydrophobicContact CD1-CD2 4.25Å; F203-L355 HydrophobicContact CE1-CD1 4.08Å; F203-L355 HydrophobicContact CE1-CD2 3.39Å; F203-L355 HydrophobicContact CE1-CG 4.39Å; F203-L355 HydrophobicContact CZ-CD2 4.01Å; K225-L355 WeakPolarHBondContact CA-O 3.33Å; K225-L355 HydrophobicContact CB-CD1 3.81Å; K225-L355 HydrophobicContact CB-CG 4.45Å; K225-L355 WeakPolarHBondContact CB-O 3.37Å; K225-L355 HydrophobicContact CD-CD1 4.3Å; K225-L355 HydrophobicContact CD-CG 4.02Å; K225-L355 VanDerWaalsContact CD-O 3.31Å; K225-L355 WeakPolarHBondContact CD-O 3.33Å; K225-L355 HydrophobicContact CG-CD1 3.9Å; K225-L355 HydrophobicContact CG-CG 4.15Å; Y226-L355 HydrophobicContact CD2-CD1 4.3Å; Y226-L355 HydrophobicContact CE2-CD1 3.97Å; M327-L355 HydrophobicContact CE-CB 3.71Å; M327-L355 HydrophobicContact CE-CD1 4.36Å; M327-L355 HydrophobicContact CE-CD2 3.91Å; M327-L355 HydrophobicContact CE-CG 4.19Å; M327-L355 HydrophobicContact SD-CB 3.72Å; M327-L355 HydrophobicContact SD-CD1 3.82Å; M327-L355 HydrophobicContact SD-CD2 4.45Å; M327-L355 HydrophobicContact SD-CG 4.18Å; L355-G357 VanDerWaalsContact C-N 3.28Å; L355-G357 PolarHBondContact O-N 3.44Å; L355-S391 WeakPolarHBondContact CA-OG 3.28Å | ||
| 356 | G | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | 74.2 | 12.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y226 G229 S391 | Y226-G356 WeakPolarHBondContact CA-O 3.38Å; Y226-G356 VanDerWaalsContact CD1-CA 3.48Å; G229-G356 WeakPolarHBondContact CA-O 3.38Å; G356-S391 PolarHBondContact N-OG 3.46Å | ||
| 357 | G | 98.5 | Very high | 97.2 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -71.8 | 179.7 | 164.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | G229 S231 H283 L355 E359 | G229-G357 CarbonylContact O-C 3.56Å; S231-G357 WeakPolarHBondContact OG-CA 3.47Å; H283-G357 PolarHBondContact CE1-O 2.77Å; L355-G357 VanDerWaalsContact C-N 3.28Å; L355-G357 PolarHBondContact O-N 3.44Å; G357-E359 VanDerWaalsContact C-N 3.29Å |
| 358 | Y | 98.6 | Very high | 96.9 | Very high | 118 Ų | 118 | 33.5 Ų | 33.5 | 46% | 0.463 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -76.7 | -23 | 175.5 | 54.4 | -100.4 | 0 | 0 | 0 | 112.2 | G229 H230 G393 L394 | G229-Y358 PolarHBondContact O-N 3.37Å; H230-Y358 HydrophobicContact CB-CD1 4.39Å; H230-Y358 HydrophobicContact CB-CE1 4.28Å; Y358-G393 CarbonylContact O-C 3.52Å; Y358-G393 VanDerWaalsContact O-CA 3.31Å; Y358-G393 WeakPolarHBondContact O-CA 3.47Å; Y358-L394 PolarHBondContact O-N 3.09Å |
| 359 | E | 98.7 | Very high | 96.3 | Very high | 39 Ų | 39 | 31.3 Ų | 31.3 | 18% | 0.182 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -87.8 | 148.4 | 178.8 | 72 | -71 | 174.7 | 0 | 0 | 112.2 | S231 G357 L361 E395 | S231-E359 WeakPolarHBondContact CB-OE1 3.43Å; S231-E359 PolarHBondContact OG-OE1 3.16Å; S231-E359 PolarHBondContact OG-OE2 2.99Å; G357-E359 VanDerWaalsContact C-N 3.29Å; E359-L361 HydrophobicContact CG-CD2 3.8Å; E359-L361 HydrophobicContact CG-CG 4.34Å; E359-E395 WeakPolarHBondContact CA-OE1 3.48Å |
| 360 | S | 98.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | trans | -80 | 122.9 | 177.4 | -73.8 | 0 | 0 | 0 | 0 | 111.8 | F349 T350 S391 G393 E395 L400 | F349-S360 WeakPolarHBondContact CA-O 3.24Å; T350-S360 PolarHBondContact N-O 3.44Å; S360-S391 VanDerWaalsContact CA-O 3.31Å; S360-S391 WeakPolarHBondContact CA-O 3.47Å; S360-G393 WeakPolarHBondContact OG-CA 3.36Å; S360-G393 PolarHBondContact OG-N 2.92Å; S360-E395 WeakPolarHBondContact CB-OE1 3.43Å; S360-E395 PolarHBondContact N-OE1 2.98Å; S360-E395 PolarHBondContact OG-OE1 3.36Å; S360-E395 PolarHBondContact OG-OE2 3.22Å; S360-L400 WeakPolarHBondContact OG-CD2 3.34Å | ||
| 361 | L | 98.7 | Very high | 95 | Very high | 11 Ų | 11 | 30.2 Ų | 30.2 | 6% | 0.058 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 150.3 | 179.4 | -53.4 | -179.2 | 0 | 0 | 0 | 111.4 | T350 A352 E359 L390 S391 | T350-L361 HydrophobicContact CG2-CD2 4.35Å; T350-L361 WeakPolarHBondContact O-CA 3.38Å; A352-L361 HydrophobicContact CB-CD2 4.24Å; E359-L361 HydrophobicContact CG-CD2 3.8Å; E359-L361 HydrophobicContact CG-CG 4.34Å; L361-L390 WeakPolarHBondContact O-CA 3.08Å; L361-S391 PolarHBondContact N-O 2.99Å; L361-S391 PolarHBondContact O-N 3.32Å |
| 362 | I | 98.7 | Very high | 94.1 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 142.3 | 172 | -165.9 | 166 | 0 | 0 | 0 | 110.1 | F342 T343 L346 F349 T350 L351 A352 L388 R389 L390 | F342-I362 HydrophobicContact CE1-CD1 3.95Å; T343-I362 HydrophobicContact CG2-CD1 4.2Å; T343-I362 HydrophobicContact CG2-CG1 4.41Å; L346-I362 HydrophobicContact CD1-CD1 3.69Å; L346-I362 HydrophobicContact CD1-CG2 3.96Å; F349-I362 HydrophobicContact CB-CB 4.28Å; F349-I362 HydrophobicContact CB-CG2 4.04Å; F349-I362 HydrophobicContact CD1-CB 4.26Å; T350-I362 PolarHBondContact O-N 2.86Å; L351-I362 WeakPolarHBondContact CA-O 3.42Å; L351-I362 WeakPolarHBondContact CD1-O 3.5Å; A352-I362 PolarHBondContact N-O 3.23Å; I362-L388 HydrophobicContact CD1-CD1 4.2Å; I362-L388 HydrophobicContact CD1-CD2 4.32Å; I362-L388 HydrophobicContact CG1-CB 4.5Å; I362-L388 HydrophobicContact CG1-CD2 4.28Å; I362-R389 WeakPolarHBondContact CA-O 3.3Å; I362-L390 HydrophobicContact CD1-CD1 3.94Å; I362-L390 HydrophobicContact CD1-CG 4.04Å; I362-L390 HydrophobicContact CG1-CD1 4.06Å; I362-L390 HydrophobicContact CG1-CG 4.08Å |
| 363 | E | 97.7 | Very high | 93.3 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 161.6 | 174.1 | 67.1 | 170.5 | -140.3 | 0 | 0 | 112 | P365 M368 T369 L388 R389 | E363-P365 HydrophobicContact CG-CG 4.24Å; E363-P365 WeakPolarHBondContact O-CD 3.42Å; E363-M368 HydrophobicContact CB-CE 3.8Å; E363-M368 HydrophobicContact CB-SD 3.71Å; E363-T369 VanDerWaalsContact CD-CG2 3.44Å; E363-T369 WeakPolarHBondContact OE1-CB 3.42Å; E363-T369 WeakPolarHBondContact OE1-CG2 3.34Å; E363-T369 PolarHBondContact OE1-OG1 3.4Å; E363-T369 WeakPolarHBondContact OE2-CG2 3.48Å; E363-L388 WeakPolarHBondContact O-CA 3.34Å; E363-R389 HydrophobicContact CG-CB 3.92Å; E363-R389 PolarHBondContact N-O 3.26Å; E363-R389 PolarHBondContact O-N 2.57Å; E363-R389 IonicContact OE1-CZ 3.14Å; E363-R389 IonicContact OE1-NE 3.35Å; E363-R389 IonicContact OE1-NH1 3.21Å; E363-R389 PolarHBondContact OE1-NH1 3.21Å; E363-R389 IonicContact OE1-NH2 3.63Å; E363-R389 PolarHBondContact OE1-NH2 2.66Å; E363-R389 IonicContact OE2-CZ 3.95Å; E363-R389 IonicContact OE2-NH1 3.97Å; E363-R389 IonicContact OE2-NH2 2.84Å; E363-R389 PolarHBondContact OE2-NH2 2.76Å |
| 364 | I | 97.3 | Very high | 92.8 | Very high | 6 Ų | 6 | 27.7 Ų | 27.7 | 3% | 0.031 | 16% | 0.158 | C | C | . | . | trans | -107 | 96.6 | 170.1 | -56.5 | 165.3 | 0 | 0 | 0 | 107.5 | T339 K340 T343 S366 I367 M368 L388 | T339-I364 HydrophobicContact CG2-CD1 4.18Å; T339-I364 HydrophobicContact CG2-CG1 4.17Å; K340-I364 HydrophobicContact CG-CD1 4.03Å; T343-I364 HydrophobicContact CG2-CD1 4.14Å; T343-I364 HydrophobicContact CG2-CG1 4.07Å; I364-S366 VanDerWaalsContact C-N 3.26Å; I364-S366 WeakPolarHBondContact CG2-OG 3.35Å; I364-S366 PolarHBondContact O-N 2.91Å; I364-S366 VanDerWaalsContact O-N 3.15Å; I364-I367 HydrophobicContact CB-CD1 4.25Å; I364-I367 HydrophobicContact CB-CG1 3.9Å; I364-I367 HydrophobicContact CD1-CD1 4.1Å; I364-I367 HydrophobicContact CG2-CD1 4.19Å; I364-I367 HydrophobicContact CG2-CG1 3.82Å; I364-I367 PolarHBondContact O-N 3.47Å; I364-M368 PolarHBondContact N-SD 3.29Å; I364-M368 VanDerWaalsContact N-SD 3.43Å; I364-M368 WeakPolarHBondContact O-CB 3.46Å; I364-M368 PolarHBondContact O-N 2.75Å; I364-L388 HydrophobicContact CB-CD2 4.45Å; I364-L388 HydrophobicContact CG1-CD2 3.49Å; I364-L388 VanDerWaalsContact CG1-CD2 3.49Å | ||
| 365 | P | 94.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -34.1 | -170.1 | -30.4 | 40.1 | 0 | 0 | 0 | 114.2 | P174 E363 I367 M368 H370 I383 M387 R389 | P174-P365 HydrophobicContact CB-CB 4.28Å; P174-P365 HydrophobicContact CB-CG 4.01Å; P174-P365 HydrophobicContact CG-CB 4.08Å; P174-P365 HydrophobicContact CG-CG 4.3Å; E363-P365 HydrophobicContact CG-CG 4.24Å; E363-P365 WeakPolarHBondContact O-CD 3.42Å; P365-I367 PolarHBondContact O-N 2.84Å; P365-M368 PolarHBondContact O-N 2.95Å; P365-H370 WeakPolarHBondContact O-CA 3.34Å; P365-H370 VanDerWaalsContact O-CB 3.3Å; P365-H370 WeakPolarHBondContact O-CB 3.42Å; P365-H370 PolarHBondContact O-N 3.3Å; P365-I383 HydrophobicContact CB-CG2 4.15Å; P365-M387 HydrophobicContact CB-CE 3.93Å; P365-M387 HydrophobicContact CB-SD 4.47Å; P365-M387 WeakPolarHBondContact CD-O 3.32Å; P365-M387 HydrophobicContact CG-CE 3.72Å; P365-M387 HydrophobicContact CG-SD 3.69Å; P365-R389 HydrophobicContact CG-CB 3.98Å |
| 366 | S | 92.7 | Very high | 91.9 | Very high | 4 Ų | 4 | 36.5 Ų | 36.5 | 3% | 0.028 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -27.5 | -178.1 | 53.2 | 0 | 0 | 0 | 0 | 114.4 | I364 R378 T384 | I364-S366 VanDerWaalsContact C-N 3.26Å; I364-S366 WeakPolarHBondContact CG2-OG 3.35Å; I364-S366 PolarHBondContact O-N 2.91Å; I364-S366 VanDerWaalsContact O-N 3.15Å; S366-R378 VanDerWaalsContact O-CZ 3.3Å; S366-T384 PolarHBondContact OG-O 3.36Å |
| 367 | I | 92.4 | Very high | 91.3 | Very high | 85 Ų | 85 | 39.8 Ų | 39.8 | 44% | 0.436 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.1 | -6.6 | -179.4 | 64.1 | 174.9 | 0 | 0 | 0 | 114 | K340 I364 P365 | K340-I367 HydrophobicContact CG-CD1 4.39Å; I364-I367 HydrophobicContact CB-CD1 4.25Å; I364-I367 HydrophobicContact CB-CG1 3.9Å; I364-I367 HydrophobicContact CD1-CD1 4.1Å; I364-I367 HydrophobicContact CG2-CD1 4.19Å; I364-I367 HydrophobicContact CG2-CG1 3.82Å; I364-I367 PolarHBondContact O-N 3.47Å; P365-I367 PolarHBondContact O-N 2.84Å |
| 368 | M | 93.1 | Very high | 90.8 | Very high | 45 Ų | 45 | 41.8 Ų | 41.8 | 22% | 0.222 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | -99 | 176.1 | -61.1 | 171.9 | 67.9 | 0 | 0 | 109.8 | L351 E353 E363 I364 P365 H370 A371 | L351-M368 HydrophobicContact CD1-CE 4.26Å; L351-M368 HydrophobicContact CD1-SD 3.9Å; E353-M368 HydrophobicContact CG-CB 4.35Å; E353-M368 HydrophobicContact CG-CE 3.87Å; E363-M368 HydrophobicContact CB-CE 3.8Å; E363-M368 HydrophobicContact CB-SD 3.71Å; I364-M368 PolarHBondContact N-SD 3.29Å; I364-M368 VanDerWaalsContact N-SD 3.43Å; I364-M368 WeakPolarHBondContact O-CB 3.46Å; I364-M368 PolarHBondContact O-N 2.75Å; P365-M368 PolarHBondContact O-N 2.95Å; M368-H370 VanDerWaalsContact C-N 3.29Å; M368-H370 PolarHBondContact O-N 2.76Å; M368-H370 VanDerWaalsContact O-N 3.16Å; M368-A371 WeakPolarHBondContact O-CB 3.36Å; M368-A371 PolarHBondContact O-N 3.19Å |
| 369 | T | 85.2 | Confident | 90.2 | Very high | 14 Ų | 14 | 42.7 Ų | 42.7 | 9% | 0.086 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -24.1 | -169.3 | 53.9 | 0 | 0 | 0 | 0 | 115.7 | E353 E363 | E353-T369 HydrophobicContact CB-CG2 4.38Å; E353-T369 HydrophobicContact CG-CG2 3.99Å; E363-T369 VanDerWaalsContact CD-CG2 3.44Å; E363-T369 WeakPolarHBondContact OE1-CB 3.42Å; E363-T369 WeakPolarHBondContact OE1-CG2 3.34Å; E363-T369 PolarHBondContact OE1-OG1 3.4Å; E363-T369 WeakPolarHBondContact OE2-CG2 3.48Å |
| 370 | H | 84.7 | Confident | 89.7 | Confident | 6 Ų | 6 | 45 Ų | 45 | 3% | 0.028 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | 10.6 | -179.8 | -67.3 | 68 | 0 | 0 | 0 | 112.9 | P365 M368 S372 V373 R378 I383 | P365-H370 WeakPolarHBondContact O-CA 3.34Å; P365-H370 VanDerWaalsContact O-CB 3.3Å; P365-H370 WeakPolarHBondContact O-CB 3.42Å; P365-H370 PolarHBondContact O-N 3.3Å; M368-H370 VanDerWaalsContact C-N 3.29Å; M368-H370 PolarHBondContact O-N 2.76Å; M368-H370 VanDerWaalsContact O-N 3.16Å; H370-S372 PolarHBondContact O-N 3.03Å; H370-V373 HydrophobicContact CB-CG2 4.45Å; H370-V373 WeakPolarHBondContact O-CB 3.42Å; H370-V373 PolarHBondContact O-N 2.94Å; H370-R378 WeakPolarHBondContact O-CD 3.39Å; H370-I383 HydrophobicContact CB-CD1 4.39Å; H370-I383 HydrophobicContact CB-CG2 4.43Å |
| 371 | A | 85.1 | Confident | 89.1 | Confident | 53 Ų | 53 | 46.8 Ų | 46.8 | 44% | 0.438 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -29.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | M368 V373 R378 | M368-A371 WeakPolarHBondContact O-CB 3.36Å; M368-A371 PolarHBondContact O-N 3.19Å; A371-V373 VanDerWaalsContact C-N 3.34Å; A371-V373 PolarHBondContact O-N 3.08Å; A371-R378 PolarHBondContact O-NH1 2.91Å; A371-R378 VanDerWaalsContact O-NH1 3.1Å |
| 372 | S | 78.8 | Confident | 88.7 | Confident | 59 Ų | 59 | 47.3 Ų | 47.3 | 41% | 0.413 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -8.9 | 177.6 | 65.2 | 0 | 0 | 0 | 0 | 115.7 | H370 | H370-S372 PolarHBondContact O-N 3.03Š|
| 373 | V | 80.4 | Confident | 88.5 | Confident | 17 Ų | 17 | 47.7 Ų | 47.7 | 10% | 0.103 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -87.6 | 132.6 | 174.4 | -179.7 | 0 | 0 | 0 | 0 | 108.4 | H370 A371 V377 R378 | H370-V373 HydrophobicContact CB-CG2 4.45Å; H370-V373 WeakPolarHBondContact O-CB 3.42Å; H370-V373 PolarHBondContact O-N 2.94Å; A371-V373 VanDerWaalsContact C-N 3.34Å; A371-V373 PolarHBondContact O-N 3.08Å; V373-V377 HydrophobicContact CG1-CB 3.9Å; V373-V377 HydrophobicContact CG1-CG1 3.72Å; V373-R378 HydrophobicContact CB-CG 3.7Å; V373-R378 HydrophobicContact CG1-CG 3.68Å; V373-R378 PolarHBondContact O-NH1 3.39Å |
| 374 | P | 83.5 | Confident | 88.4 | Confident | 85 Ų | 85 | 49.4 Ų | 49.4 | 55% | 0.552 | 30% | 0.296 | S | S | * | . | trans | -53.1 | 142.9 | 179 | -26.7 | 34.9 | 0 | 0 | 0 | 113 | E376 V377 R378 | P374-E376 VanDerWaalsContact C-N 3.33Å; P374-E376 PolarHBondContact O-N 2.83Å; P374-V377 HydrophobicContact CB-CB 4.44Å; P374-V377 HydrophobicContact CB-CG2 4.11Å; P374-V377 HydrophobicContact CG-CG2 4.36Å; P374-V377 WeakPolarHBondContact O-CB 3.18Å; P374-V377 PolarHBondContact O-N 2.81Å; P374-R378 PolarHBondContact O-N 3.17Å | ||
| 375 | A | 87.1 | Confident | 88.3 | Confident | 59 Ų | 59 | 55 Ų | 55 | 49% | 0.488 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -55.9 | -44.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | V377 R378 E379 | A375-V377 VanDerWaalsContact C-N 3.31Å; A375-V377 PolarHBondContact O-N 2.98Å; A375-R378 WeakPolarHBondContact O-CB 3.32Å; A375-R378 PolarHBondContact O-N 3.39Å; A375-E379 WeakPolarHBondContact O-CB 3.06Å; A375-E379 PolarHBondContact O-N 3.48Å |
| 376 | E | 88 | Confident | 88.4 | Confident | 163 Ų | 163 | 56.4 Ų | 56.4 | 76% | 0.762 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -59.8 | -39.8 | 177.2 | -63.6 | 174.7 | -174.2 | 0 | 0 | 112.4 | P374 A380 | P374-E376 VanDerWaalsContact C-N 3.33Å; P374-E376 PolarHBondContact O-N 2.83Å; E376-A380 VanDerWaalsContact O-CB 3.24Å; E376-A380 WeakPolarHBondContact O-CB 3.17Å; E376-A380 PolarHBondContact O-N 3.49Å |
| 377 | V | 84 | Confident | 88.6 | Confident | 69 Ų | 69 | 56.2 Ų | 56.2 | 42% | 0.418 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -70.1 | -39.4 | 177.8 | 178.6 | 0 | 0 | 0 | 0 | 110.7 | V373 P374 A375 N381 | V373-V377 HydrophobicContact CG1-CB 3.9Å; V373-V377 HydrophobicContact CG1-CG1 3.72Å; P374-V377 HydrophobicContact CB-CB 4.44Å; P374-V377 HydrophobicContact CB-CG2 4.11Å; P374-V377 HydrophobicContact CG-CG2 4.36Å; P374-V377 WeakPolarHBondContact O-CB 3.18Å; P374-V377 PolarHBondContact O-N 2.81Å; A375-V377 VanDerWaalsContact C-N 3.31Å; A375-V377 PolarHBondContact O-N 2.98Å; V377-N381 WeakPolarHBondContact O-CB 3.46Å; V377-N381 PolarHBondContact O-N 2.89Å; V377-N381 VanDerWaalsContact O-N 3.15Å; V377-N381 PolarHBondContact O-ND2 3.18Å |
| 378 | R | 88.4 | Confident | 88.9 | Confident | 42 Ų | 42 | 52.1 Ų | 52.1 | 16% | 0.158 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.3 | -50.9 | 174.6 | -69.8 | -167.2 | -56.4 | -116.7 | 9.6 | 111 | S366 H370 A371 V373 P374 A375 N381 G382 I383 | S366-R378 VanDerWaalsContact O-CZ 3.3Å; H370-R378 WeakPolarHBondContact O-CD 3.39Å; A371-R378 PolarHBondContact O-NH1 2.91Å; A371-R378 VanDerWaalsContact O-NH1 3.1Å; V373-R378 HydrophobicContact CB-CG 3.7Å; V373-R378 HydrophobicContact CG1-CG 3.68Å; V373-R378 PolarHBondContact O-NH1 3.39Å; P374-R378 PolarHBondContact O-N 3.17Å; A375-R378 WeakPolarHBondContact O-CB 3.32Å; A375-R378 PolarHBondContact O-N 3.39Å; R378-N381 CarbonylContact O-C 3.58Å; R378-N381 PolarHBondContact O-N 3.42Å; R378-N381 VanDerWaalsContact O-N 3.13Å; R378-G382 PolarHBondContact O-N 3.3Å; R378-G382 VanDerWaalsContact O-N 3.09Å; R378-I383 HydrophobicContact CB-CB 3.97Å; R378-I383 HydrophobicContact CB-CG2 4.33Å; R378-I383 HydrophobicContact CG-CB 4.5Å; R378-I383 PolarHBondContact O-N 3.4Å |
| 379 | E | 87 | Confident | 89.2 | Confident | 138 Ų | 138 | 50.2 Ų | 50.2 | 65% | 0.645 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -62.7 | -45.1 | -178.3 | -173.3 | 170.5 | -166.6 | 0 | 0 | 111.6 | A375 N381 G382 | A375-E379 WeakPolarHBondContact O-CB 3.06Å; A375-E379 PolarHBondContact O-N 3.48Å; E379-N381 PolarHBondContact O-N 2.86Å; E379-G382 PolarHBondContact O-N 2.93Å |
| 380 | A | 86.9 | Confident | 89.8 | Confident | 86 Ų | 86 | 49.7 Ų | 49.7 | 71% | 0.711 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -58.7 | -31.2 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | E376 | E376-A380 VanDerWaalsContact O-CB 3.24Å; E376-A380 WeakPolarHBondContact O-CB 3.17Å; E376-A380 PolarHBondContact O-N 3.49Å |
| 381 | N | 86 | Confident | 90.5 | Very high | 39 Ų | 39 | 49.5 Ų | 49.5 | 21% | 0.209 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -85.6 | -7.1 | 175.6 | -74.9 | -23.8 | 0 | 0 | 0 | 113.7 | L175 R177 V377 R378 E379 | L175-N381 HydrophobicContact CD1-CB 4.38Å; L175-N381 WeakPolarHBondContact CD1-O 3.42Å; R177-N381 PolarHBondContact NH2-O 3.23Å; V377-N381 WeakPolarHBondContact O-CB 3.46Å; V377-N381 PolarHBondContact O-N 2.89Å; V377-N381 VanDerWaalsContact O-N 3.15Å; V377-N381 PolarHBondContact O-ND2 3.18Å; R378-N381 CarbonylContact O-C 3.58Å; R378-N381 PolarHBondContact O-N 3.42Å; R378-N381 VanDerWaalsContact O-N 3.13Å; E379-N381 PolarHBondContact O-N 2.86Å |
| 382 | G | 92 | Very high | 91.1 | Very high | 22 Ų | 22 | 47 Ų | 47 | 23% | 0.227 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87 | 15.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y331 R378 E379 T384 | Y331-G382 VanDerWaalsContact CE1-O 3.26Å; Y331-G382 WeakPolarHBondContact CE1-O 3.28Å; Y331-G382 PolarHBondContact OH-O 2.91Å; R378-G382 PolarHBondContact O-N 3.3Å; R378-G382 VanDerWaalsContact O-N 3.09Å; E379-G382 PolarHBondContact O-N 2.93Å; G382-T384 PolarHBondContact O-N 2.99Å |
| 383 | I | 93.9 | Very high | 92.1 | Very high | 8 Ų | 8 | 44.1 Ų | 44.1 | 4% | 0.041 | 25% | 0.253 | C | S | . | . | trans | -87.2 | 82.2 | 171 | -56.3 | 174.1 | 0 | 0 | 0 | 108.2 | P174 L175 P365 H370 R378 M387 | P174-I383 HydrophobicContact CG-CD1 4Å; P174-I383 HydrophobicContact CG-CG1 4.1Å; L175-I383 HydrophobicContact CD1-CG1 4.36Å; L175-I383 HydrophobicContact CD2-CG1 4.07Å; L175-I383 HydrophobicContact CG-CG1 4.34Å; P365-I383 HydrophobicContact CB-CG2 4.15Å; H370-I383 HydrophobicContact CB-CD1 4.39Å; H370-I383 HydrophobicContact CB-CG2 4.43Å; R378-I383 HydrophobicContact CB-CB 3.97Å; R378-I383 HydrophobicContact CB-CG2 4.33Å; R378-I383 HydrophobicContact CG-CB 4.5Å; R378-I383 PolarHBondContact O-N 3.4Å; I383-M387 HydrophobicContact CB-CE 4.3Å; I383-M387 HydrophobicContact CG1-CE 4.13Å; I383-M387 HydrophobicContact CG2-CE 4.01Å | ||
| 384 | T | 95.3 | Very high | 93 | Very high | 37 Ų | 37 | 46 Ų | 46 | 23% | 0.227 | 26% | 0.262 | C | S | . | . | trans | -94.6 | 169.4 | -176.3 | 53.2 | 0 | 0 | 0 | 0 | 112.2 | Y331 S366 G382 N386 M387 | Y331-T384 WeakPolarHBondContact CE1-OG1 3.37Å; S366-T384 PolarHBondContact OG-O 3.36Å; G382-T384 PolarHBondContact O-N 2.99Å; T384-N386 WeakPolarHBondContact CB-OD1 3.37Å; T384-N386 PolarHBondContact O-N 3.14Å; T384-N386 PolarHBondContact OG1-OD1 3.14Å; T384-M387 PolarHBondContact O-N 3.11Å | ||
| 385 | E | 95.2 | Very high | 93.7 | Very high | 125 Ų | 125 | 44.2 Ų | 44.2 | 58% | 0.584 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69 | -21.6 | 179.6 | -60.3 | -169.4 | 153.7 | 0 | 0 | 113.9 | T339 | T339-E385 WeakPolarHBondContact CG2-O 3.36Š|
| 386 | N | 96.6 | Very high | 94.2 | Very high | 28 Ų | 28 | 45.5 Ų | 45.5 | 15% | 0.15 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 5.6 | 176.9 | 69.6 | -35.3 | 0 | 0 | 0 | 113.9 | L332 C334 T339 T384 | L332-N386 PolarHBondContact N-O 3.05Å; L332-N386 WeakPolarHBondContact O-CB 3.3Å; L332-N386 PolarHBondContact O-ND2 3.43Å; C334-N386 WeakPolarHBondContact O-CB 3.31Å; T339-N386 WeakPolarHBondContact OG1-CA 3.49Å; T384-N386 WeakPolarHBondContact CB-OD1 3.37Å; T384-N386 PolarHBondContact O-N 3.14Å; T384-N386 PolarHBondContact OG1-OD1 3.14Å |
| 387 | M | 97.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 130.7 | 176.9 | -172 | -84.9 | -90.4 | 0 | 0 | 110.3 | P174 L175 T329 V330 Y331 P365 I383 T384 | P174-M387 HydrophobicContact CB-CE 3.92Å; P174-M387 HydrophobicContact CG-CE 3.47Å; P174-M387 VanDerWaalsContact CG-CE 3.47Å; L175-M387 HydrophobicContact CD2-CE 4.1Å; T329-M387 HydrophobicContact CG2-CE 4.18Å; T329-M387 HydrophobicContact CG2-CG 3.66Å; T329-M387 HydrophobicContact CG2-SD 3.46Å; T329-M387 WeakPolarHBondContact CG2-SD 3.47Å; V330-M387 WeakPolarHBondContact O-CA 3.31Å; Y331-M387 HydrophobicContact CD1-CB 3.88Å; Y331-M387 HydrophobicContact CD1-CG 4.11Å; Y331-M387 HydrophobicContact CD2-CG 4.42Å; Y331-M387 HydrophobicContact CE1-CB 3.65Å; Y331-M387 HydrophobicContact CE1-CG 3.68Å; Y331-M387 HydrophobicContact CE2-CG 4.01Å; Y331-M387 HydrophobicContact CG-CG 4.46Å; P365-M387 HydrophobicContact CB-CE 3.93Å; P365-M387 HydrophobicContact CB-SD 4.47Å; P365-M387 WeakPolarHBondContact CD-O 3.32Å; P365-M387 HydrophobicContact CG-CE 3.72Å; P365-M387 HydrophobicContact CG-SD 3.69Å; I383-M387 HydrophobicContact CB-CE 4.3Å; I383-M387 HydrophobicContact CG1-CE 4.13Å; I383-M387 HydrophobicContact CG2-CE 4.01Å; T384-M387 PolarHBondContact O-N 3.11Å |
| 388 | L | 98.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 144.2 | 176.6 | -64.5 | 163 | 0 | 0 | 0 | 109.9 | T329 V330 L332 T339 F342 T343 I362 E363 I364 L390 | T329-L388 WeakPolarHBondContact CA-O 2.87Å; V330-L388 HydrophobicContact CG1-CB 3.71Å; V330-L388 HydrophobicContact CG1-CD1 4.31Å; V330-L388 PolarHBondContact N-O 3.38Å; V330-L388 PolarHBondContact O-N 3.5Å; L332-L388 HydrophobicContact CD1-CD1 3.5Å; L332-L388 HydrophobicContact CG-CD1 3.92Å; T339-L388 HydrophobicContact CG2-CD1 4.21Å; T339-L388 HydrophobicContact CG2-CD2 3.74Å; T339-L388 HydrophobicContact CG2-CG 3.92Å; F342-L388 HydrophobicContact CD1-CD1 3.65Å; F342-L388 HydrophobicContact CE1-CD1 3.62Å; T343-L388 HydrophobicContact CG2-CD1 4.45Å; T343-L388 HydrophobicContact CG2-CD2 3.36Å; I362-L388 HydrophobicContact CD1-CD1 4.2Å; I362-L388 HydrophobicContact CD1-CD2 4.32Å; I362-L388 HydrophobicContact CG1-CB 4.5Å; I362-L388 HydrophobicContact CG1-CD2 4.28Å; E363-L388 WeakPolarHBondContact O-CA 3.34Å; I364-L388 HydrophobicContact CB-CD2 4.45Å; I364-L388 HydrophobicContact CG1-CD2 3.49Å; I364-L388 VanDerWaalsContact CG1-CD2 3.49Å; L388-L390 HydrophobicContact CB-CD1 4.13Å |
| 389 | R | 98.4 | Very high | 95.9 | Very high | 5 Ų | 5 | 41.3 Ų | 41.3 | 2% | 0.019 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 127.8 | 166.3 | -168.3 | -171.1 | 79.5 | -139.1 | -7.7 | 108.8 | N173 M327 I328 S354 I362 E363 P365 | N173-R389 PolarHBondContact ND2-NH1 3.43Å; N173-R389 WeakPolarHBondContact OD1-CD 3.49Å; N173-R389 PolarHBondContact OD1-NH1 3.5Å; M327-R389 HydrophobicContact CE-CG 3.92Å; I328-R389 CarbonylContact O-C 3.56Å; I328-R389 WeakPolarHBondContact O-CA 3.11Å; S354-R389 PolarHBondContact O-NH2 2.92Å; I362-R389 WeakPolarHBondContact CA-O 3.3Å; E363-R389 HydrophobicContact CG-CB 3.92Å; E363-R389 PolarHBondContact N-O 3.26Å; E363-R389 PolarHBondContact O-N 2.57Å; E363-R389 IonicContact OE1-CZ 3.14Å; E363-R389 IonicContact OE1-NE 3.35Å; E363-R389 IonicContact OE1-NH1 3.21Å; E363-R389 PolarHBondContact OE1-NH1 3.21Å; E363-R389 IonicContact OE1-NH2 3.63Å; E363-R389 PolarHBondContact OE1-NH2 2.66Å; E363-R389 IonicContact OE2-CZ 3.95Å; E363-R389 IonicContact OE2-NH1 3.97Å; E363-R389 IonicContact OE2-NH2 2.84Å; E363-R389 PolarHBondContact OE2-NH2 2.76Å; P365-R389 HydrophobicContact CG-CB 3.98Å |
| 390 | L | 98.8 | Very high | 96.5 | Very high | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 139.2 | 172.9 | -70.2 | 68.8 | 0 | 0 | 0 | 109 | V290 L294 M327 I328 V330 F349 L361 I362 L388 V392 L404 | V290-L390 HydrophobicContact CG1-CD2 4.28Å; L294-L390 HydrophobicContact CD1-CD2 4.12Å; M327-L390 WeakPolarHBondContact CA-O 3.31Å; M327-L390 WeakPolarHBondContact CE-O 3.41Å; I328-L390 HydrophobicContact CB-CB 4.27Å; I328-L390 PolarHBondContact N-O 3.37Å; I328-L390 PolarHBondContact O-N 3.04Å; V330-L390 HydrophobicContact CG1-CD1 3.55Å; F349-L390 HydrophobicContact CD1-CD2 4.46Å; F349-L390 HydrophobicContact CD1-CG 4.5Å; F349-L390 HydrophobicContact CE1-CB 4.24Å; F349-L390 HydrophobicContact CE1-CD2 3.82Å; F349-L390 HydrophobicContact CE1-CG 4.13Å; F349-L390 HydrophobicContact CZ-CD2 4.03Å; L361-L390 WeakPolarHBondContact O-CA 3.08Å; I362-L390 HydrophobicContact CD1-CD1 3.94Å; I362-L390 HydrophobicContact CD1-CG 4.04Å; I362-L390 HydrophobicContact CG1-CD1 4.06Å; I362-L390 HydrophobicContact CG1-CG 4.08Å; L388-L390 HydrophobicContact CB-CD1 4.13Å; L390-V392 HydrophobicContact CB-CG2 4.37Å; L390-L404 HydrophobicContact CD2-CD1 3.84Å; L390-L404 HydrophobicContact CD2-CD2 4.07Å |
| 391 | S | 98.8 | Very high | 97 | Very high | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.014 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 95.6 | 163.5 | 171.5 | 0 | 0 | 0 | 0 | 106.7 | L355 G356 S360 L361 G393 | L355-S391 WeakPolarHBondContact CA-OG 3.28Å; G356-S391 PolarHBondContact N-OG 3.46Å; S360-S391 VanDerWaalsContact CA-O 3.31Å; S360-S391 WeakPolarHBondContact CA-O 3.47Å; L361-S391 PolarHBondContact N-O 2.99Å; L361-S391 PolarHBondContact O-N 3.32Å; S391-G393 PolarHBondContact O-N 3.37Å |
| 392 | V | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | trans | -75 | 122.8 | -177 | -177.7 | 0 | 0 | 0 | 0 | 110 | H283 N286 V290 G326 I328 F349 L390 L400 | H283-V392 PolarHBondContact CE1-O 2.97Å; H283-V392 PolarHBondContact ND1-O 2.93Å; N286-V392 HydrophobicContact CB-CG1 3.62Å; V290-V392 HydrophobicContact CB-CG2 4.21Å; V290-V392 HydrophobicContact CG1-CG2 4.12Å; V290-V392 HydrophobicContact CG2-CG1 4.12Å; V290-V392 HydrophobicContact CG2-CG2 4.41Å; G326-V392 WeakPolarHBondContact O-CB 3.24Å; G326-V392 PolarHBondContact O-N 3.17Å; I328-V392 HydrophobicContact CD1-CG2 3.52Å; I328-V392 HydrophobicContact CG1-CG2 4.3Å; F349-V392 HydrophobicContact CE1-CG2 4.36Å; F349-V392 HydrophobicContact CZ-CG2 4.35Å; L390-V392 HydrophobicContact CB-CG2 4.37Å; V392-L400 HydrophobicContact CG1-CD1 3.86Å | ||
| 393 | G | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | trans | -83.3 | -155.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | N286 Y358 S360 S391 E395 | N286-G393 PolarHBondContact ND2-O 3.14Å; Y358-G393 CarbonylContact O-C 3.52Å; Y358-G393 VanDerWaalsContact O-CA 3.31Å; Y358-G393 WeakPolarHBondContact O-CA 3.47Å; S360-G393 WeakPolarHBondContact OG-CA 3.36Å; S360-G393 PolarHBondContact OG-N 2.92Å; S391-G393 PolarHBondContact O-N 3.37Å; G393-E395 VanDerWaalsContact C-OE2 3.27Å; G393-E395 VanDerWaalsContact CA-OE2 3.25Å; G393-E395 WeakPolarHBondContact CA-OE2 3.33Å | ||
| 394 | L | 98.8 | Very high | 98.1 | Very high | 57 Ų | 57 | 30.6 Ų | 30.6 | 30% | 0.298 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -104.3 | 7.2 | -173.8 | -52.3 | -179.7 | 0 | 0 | 0 | 113.1 | R279 T282 Y358 | R279-L394 HydrophobicContact CB-CD1 4.25Å; R279-L394 HydrophobicContact CB-CD2 4.26Å; R279-L394 HydrophobicContact CG-CD1 3.69Å; T282-L394 HydrophobicContact CG2-CB 4.32Å; T282-L394 HydrophobicContact CG2-CD2 3.75Å; Y358-L394 PolarHBondContact O-N 3.09Å |
| 395 | E | 98.8 | Very high | 98.2 | Very high | 47 Ų | 47 | 29.7 Ų | 29.7 | 22% | 0.22 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -65.3 | 173.4 | 175.6 | -53.4 | 93.2 | 152.3 | 0 | 0 | 111.8 | N286 L348 E359 S360 G393 P397 L400 | N286-E395 PolarHBondContact ND2-O 3.47Å; L348-E395 HydrophobicContact CD1-CG 4.41Å; L348-E395 HydrophobicContact CD2-CB 4.39Å; E359-E395 WeakPolarHBondContact CA-OE1 3.48Å; S360-E395 WeakPolarHBondContact CB-OE1 3.43Å; S360-E395 PolarHBondContact N-OE1 2.98Å; S360-E395 PolarHBondContact OG-OE1 3.36Å; S360-E395 PolarHBondContact OG-OE2 3.22Å; G393-E395 VanDerWaalsContact C-OE2 3.27Å; G393-E395 VanDerWaalsContact CA-OE2 3.25Å; G393-E395 WeakPolarHBondContact CA-OE2 3.33Å; E395-P397 WeakPolarHBondContact O-CD 3.27Å; E395-L400 HydrophobicContact CB-CD1 4.02Å; E395-L400 HydrophobicContact CB-CD2 4.11Å; E395-L400 HydrophobicContact CB-CG 3.98Å; E395-L400 HydrophobicContact CG-CD2 4.48Å |
| 396 | D | 98.5 | Very high | 98.3 | Very high | 85 Ų | 85 | 28.2 Ų | 28.2 | 46% | 0.455 | 14% | 0.141 | S | C | . | . | trans | -62.7 | 124.1 | 175.3 | -170 | -60.7 | 0 | 0 | 0 | 110 | K398 D399 L400 | D396-K398 PolarHBondContact O-N 3.26Å; D396-K398 VanDerWaalsContact O-N 3.11Å; D396-K398 WeakPolarHBondContact OD1-CA 3.41Å; D396-K398 WeakPolarHBondContact OD1-CB 3.4Å; D396-K398 PolarHBondContact OD1-N 2.81Å; D396-D399 HydrophobicContact CB-CB 4.28Å; D396-D399 PolarHBondContact O-N 3.03Å; D396-D399 VanDerWaalsContact O-N 3.08Å; D396-L400 WeakPolarHBondContact O-CG 3.19Å; D396-L400 PolarHBondContact O-N 3.19Å | ||
| 397 | P | 98.2 | Very high | 98.3 | Very high | 15 Ų | 15 | 27.2 Ų | 27.2 | 10% | 0.097 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.7 | -23.2 | -177.4 | 21 | -30.2 | 0 | 0 | 0 | 113.4 | N286 I289 E395 S401 | N286-P397 HydrophobicContact CB-CB 4.45Å; N286-P397 WeakPolarHBondContact OD1-CB 3.49Å; N286-P397 WeakPolarHBondContact OD1-CD 3.33Å; N286-P397 WeakPolarHBondContact OD1-CG 3.15Å; I289-P397 HydrophobicContact CB-CB 4.33Å; I289-P397 HydrophobicContact CD1-CB 4.01Å; I289-P397 HydrophobicContact CD1-CG 4.09Å; I289-P397 HydrophobicContact CG2-CB 4.11Å; E395-P397 WeakPolarHBondContact O-CD 3.27Å; P397-S401 VanDerWaalsContact O-CB 3.28Å; P397-S401 WeakPolarHBondContact O-CB 3.49Å; P397-S401 PolarHBondContact O-N 2.97Å; P397-S401 PolarHBondContact O-OG 3.27Å |
| 398 | K | 98.4 | Very high | 98.3 | Very high | 81 Ų | 81 | 27.2 Ų | 27.2 | 35% | 0.352 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -70.7 | -45.4 | 174.7 | -167.6 | 177 | 178.6 | 175.6 | 0 | 111.3 | F4 Y8 D396 L400 S401 L402 | F4-K398 HydrophobicContact CE1-CG 4.24Å; Y8-K398 HydrophobicContact CD1-CD 4.34Å; Y8-K398 HydrophobicContact CD1-CG 4.16Å; Y8-K398 HydrophobicContact CD2-CG 4.38Å; Y8-K398 HydrophobicContact CE1-CB 3.88Å; Y8-K398 HydrophobicContact CE1-CD 4.08Å; Y8-K398 HydrophobicContact CE1-CG 3.88Å; Y8-K398 VanDerWaalsContact CE2-CA 3.43Å; Y8-K398 HydrophobicContact CE2-CB 3.87Å; Y8-K398 HydrophobicContact CE2-CG 4.13Å; Y8-K398 HydrophobicContact CG-CG 4.39Å; Y8-K398 VanDerWaalsContact CZ-CB 3.47Å; Y8-K398 WeakPolarHBondContact OH-CA 3.15Å; Y8-K398 WeakPolarHBondContact OH-CB 3.34Å; Y8-K398 PolarHBondContact OH-N 3.36Å; Y8-K398 VanDerWaalsContact OH-N 3.14Å; D396-K398 PolarHBondContact O-N 3.26Å; D396-K398 VanDerWaalsContact O-N 3.11Å; D396-K398 WeakPolarHBondContact OD1-CA 3.41Å; D396-K398 WeakPolarHBondContact OD1-CB 3.4Å; D396-K398 PolarHBondContact OD1-N 2.81Å; K398-L400 VanDerWaalsContact C-N 3.34Å; K398-S401 PolarHBondContact O-N 2.89Å; K398-L402 VanDerWaalsContact O-CB 3.24Å; K398-L402 WeakPolarHBondContact O-CB 3.4Å; K398-L402 PolarHBondContact O-N 3.43Å |
| 399 | D | 98.6 | Very high | 98.2 | Very high | 91 Ų | 91 | 30.7 Ų | 30.7 | 49% | 0.487 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -64.9 | -42.4 | 178.9 | -66.8 | -19.1 | 0 | 0 | 0 | 110.4 | L348 D396 L402 D403 | L348-D399 HydrophobicContact CD2-CB 3.99Å; D396-D399 HydrophobicContact CB-CB 4.28Å; D396-D399 PolarHBondContact O-N 3.03Å; D396-D399 VanDerWaalsContact O-N 3.08Å; D399-L402 PolarHBondContact O-N 2.79Å; D399-D403 WeakPolarHBondContact O-CB 3.4Å; D399-D403 PolarHBondContact O-N 2.86Å |
| 400 | L | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.4 | -48.1 | 173.7 | -68.2 | 169.5 | 0 | 0 | 0 | 112.5 | V290 L348 F349 S360 V392 E395 D396 K398 L402 L404 | V290-L400 HydrophobicContact CG2-CB 4.04Å; L348-L400 HydrophobicContact CD2-CD2 3.57Å; L348-L400 HydrophobicContact CD2-CG 4.03Å; L348-L400 HydrophobicContact CG-CD2 4.02Å; F349-L400 HydrophobicContact CD2-CD2 4.22Å; F349-L400 HydrophobicContact CE2-CB 4.07Å; F349-L400 HydrophobicContact CE2-CD2 3.58Å; F349-L400 HydrophobicContact CE2-CG 4.45Å; F349-L400 HydrophobicContact CZ-CB 4.4Å; F349-L400 HydrophobicContact CZ-CD2 3.83Å; S360-L400 WeakPolarHBondContact OG-CD2 3.34Å; V392-L400 HydrophobicContact CG1-CD1 3.86Å; E395-L400 HydrophobicContact CB-CD1 4.02Å; E395-L400 HydrophobicContact CB-CD2 4.11Å; E395-L400 HydrophobicContact CB-CG 3.98Å; E395-L400 HydrophobicContact CG-CD2 4.48Å; D396-L400 WeakPolarHBondContact O-CG 3.19Å; D396-L400 PolarHBondContact O-N 3.19Å; K398-L400 VanDerWaalsContact C-N 3.34Å; L400-L402 VanDerWaalsContact C-N 3.31Å; L400-L402 PolarHBondContact O-N 3.31Å; L400-L404 WeakPolarHBondContact O-CG 3.28Å; L400-L404 PolarHBondContact O-N 3.49Å |
| 401 | S | 98.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.007 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.1 | -36.6 | 179.1 | -60.1 | 0 | 0 | 0 | 0 | 111.7 | P397 K398 Y405 | P397-S401 VanDerWaalsContact O-CB 3.28Å; P397-S401 WeakPolarHBondContact O-CB 3.49Å; P397-S401 PolarHBondContact O-N 2.97Å; P397-S401 PolarHBondContact O-OG 3.27Å; K398-S401 PolarHBondContact O-N 2.89Å; S401-Y405 WeakPolarHBondContact O-CB 3.28Å; S401-Y405 VanDerWaalsContact O-CD2 3.31Å; S401-Y405 WeakPolarHBondContact O-CD2 3.44Å; S401-Y405 PolarHBondContact O-N 3.36Å |
| 402 | L | 98.2 | Very high | 97.6 | Very high | 53 Ų | 53 | 36.9 Ų | 36.9 | 28% | 0.277 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -69.8 | -44.1 | -179.8 | -176.9 | 62.4 | 0 | 0 | 0 | 111.5 | F4 K398 D399 L400 L404 Y405 E406 | F4-L402 HydrophobicContact CD1-CD1 4Å; F4-L402 HydrophobicContact CD2-CD1 4.3Å; F4-L402 HydrophobicContact CE1-CB 4.03Å; F4-L402 HydrophobicContact CE1-CD1 3.94Å; F4-L402 HydrophobicContact CE2-CB 4.32Å; F4-L402 HydrophobicContact CE2-CD1 4.23Å; F4-L402 HydrophobicContact CG-CD1 4.18Å; F4-L402 HydrophobicContact CZ-CB 3.7Å; F4-L402 HydrophobicContact CZ-CD1 4.06Å; F4-L402 HydrophobicContact CZ-CG 4.49Å; K398-L402 VanDerWaalsContact O-CB 3.24Å; K398-L402 WeakPolarHBondContact O-CB 3.4Å; K398-L402 PolarHBondContact O-N 3.43Å; D399-L402 PolarHBondContact O-N 2.79Å; L400-L402 VanDerWaalsContact C-N 3.31Å; L400-L402 PolarHBondContact O-N 3.31Å; L402-L404 VanDerWaalsContact C-N 3.32Å; L402-L404 PolarHBondContact O-N 3.42Å; L402-Y405 PolarHBondContact O-N 3.28Å; L402-E406 HydrophobicContact CD1-CG 3.99Å; L402-E406 HydrophobicContact CG-CG 4.25Å; L402-E406 WeakPolarHBondContact O-CG 3.38Å; L402-E406 PolarHBondContact O-N 2.79Å |
| 403 | D | 98.4 | Very high | 97.2 | Very high | 12 Ų | 12 | 44 Ų | 44 | 6% | 0.064 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56 | -47.1 | 176.5 | -172.4 | 44.1 | 0 | 0 | 0 | 111.3 | K347 L348 F349 D399 A407 | K347-D403 PolarHBondContact N-OD1 3.31Å; K347-D403 PolarHBondContact N-OD2 2.78Å; L348-D403 HydrophobicContact CB-CB 4.1Å; L348-D403 WeakPolarHBondContact CB-OD2 3.12Å; L348-D403 PolarHBondContact N-OD2 2.91Å; F349-D403 PolarHBondContact N-OD2 3.45Å; D399-D403 WeakPolarHBondContact O-CB 3.4Å; D399-D403 PolarHBondContact O-N 2.86Å; D403-A407 WeakPolarHBondContact O-CB 3.48Å; D403-A407 PolarHBondContact O-N 3.4Å |
| 404 | L | 98.5 | Very high | 96.6 | Very high | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64 | -45.3 | 175.8 | -67.2 | 167.6 | 0 | 0 | 0 | 112.1 | V290 L294 F342 L346 F349 L390 L400 L402 A407 L408 | V290-L404 HydrophobicContact CG1-CD1 3.51Å; L294-L404 HydrophobicContact CD1-CD1 4.37Å; L294-L404 HydrophobicContact CD2-CB 4.38Å; L294-L404 HydrophobicContact CD2-CD1 4.3Å; L294-L404 HydrophobicContact CG-CD1 4.47Å; F342-L404 HydrophobicContact CZ-CD2 3.9Å; L346-L404 HydrophobicContact CD1-CD2 4.3Å; L346-L404 HydrophobicContact CD2-CD2 3.93Å; F349-L404 HydrophobicContact CD2-CD1 4.41Å; F349-L404 HydrophobicContact CD2-CD2 4.02Å; F349-L404 HydrophobicContact CD2-CG 4.01Å; F349-L404 HydrophobicContact CE2-CD1 3.6Å; F349-L404 HydrophobicContact CE2-CD2 4.03Å; F349-L404 HydrophobicContact CE2-CG 3.65Å; F349-L404 HydrophobicContact CZ-CD1 3.84Å; F349-L404 HydrophobicContact CZ-CG 4.33Å; L390-L404 HydrophobicContact CD2-CD1 3.84Å; L390-L404 HydrophobicContact CD2-CD2 4.07Å; L400-L404 WeakPolarHBondContact O-CG 3.28Å; L400-L404 PolarHBondContact O-N 3.49Å; L402-L404 VanDerWaalsContact C-N 3.32Å; L402-L404 PolarHBondContact O-N 3.42Å; L404-A407 PolarHBondContact O-N 3.43Å; L404-L408 WeakPolarHBondContact O-CB 3.23Å; L404-L408 VanDerWaalsContact O-CG 3.23Å; L404-L408 WeakPolarHBondContact O-CG 3.27Å; L404-L408 PolarHBondContact O-N 3.41Å |
| 405 | Y | 97.5 | Very high | 95.6 | Very high | 17 Ų | 17 | 48.4 Ų | 48.4 | 7% | 0.067 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.2 | -44.4 | -179.2 | -98.7 | -115.9 | 0 | 0 | 0 | 112.9 | F4 L7 M293 H297 S401 L402 A407 L408 D409 | F4-Y405 AromaticContact CD2-CD1 3.59Å; F4-Y405 HydrophobicContact CD2-CD1 3.59Å; F4-Y405 HydrophobicContact CD2-CD2 4.42Å; F4-Y405 HydrophobicContact CD2-CE1 4.18Å; F4-Y405 AromaticContact CD2-CG 3.7Å; F4-Y405 HydrophobicContact CD2-CG 3.7Å; F4-Y405 HydrophobicContact CE2-CD1 4.06Å; F4-Y405 HydrophobicContact CE2-CD2 4.05Å; F4-Y405 AromaticContact CE2-CG 3.69Å; F4-Y405 HydrophobicContact CE2-CG 3.69Å; L7-Y405 HydrophobicContact CD2-CE1 4.01Å; L7-Y405 WeakPolarHBondContact CD2-OH 3.19Å; M293-Y405 HydrophobicContact CB-CE2 3.78Å; M293-Y405 HydrophobicContact CE-CD2 4.26Å; M293-Y405 HydrophobicContact CE-CE1 4.22Å; M293-Y405 HydrophobicContact CE-CE2 3.78Å; M293-Y405 PolarHBondContact O-OH 3.16Å; H297-Y405 HydrophobicContact CB-CE2 4.38Å; H297-Y405 AromaticContact CD2-CD1 3.75Å; H297-Y405 AromaticContact CD2-CE1 3.74Å; S401-Y405 WeakPolarHBondContact O-CB 3.28Å; S401-Y405 VanDerWaalsContact O-CD2 3.31Å; S401-Y405 WeakPolarHBondContact O-CD2 3.44Å; S401-Y405 PolarHBondContact O-N 3.36Å; L402-Y405 PolarHBondContact O-N 3.28Å; Y405-A407 VanDerWaalsContact C-N 3.28Å; Y405-A407 PolarHBondContact O-N 3.46Å; Y405-L408 PolarHBondContact O-N 3.21Å; Y405-D409 WeakPolarHBondContact O-CB 3.07Å; Y405-D409 PolarHBondContact O-N 3.32Å |
| 406 | E | 96.9 | Very high | 94.3 | Very high | 94 Ų | 94 | 51.9 Ų | 51.9 | 44% | 0.439 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.5 | -41.3 | 177.8 | -73.2 | -173 | 169.9 | 0 | 0 | 111.2 | K347 L402 K410 | K347-E406 IonicContact NZ-OE2 3.85Å; K347-E406 PolarHBondContact NZ-OE2 3.48Å; L402-E406 HydrophobicContact CD1-CG 3.99Å; L402-E406 HydrophobicContact CG-CG 4.25Å; L402-E406 WeakPolarHBondContact O-CG 3.38Å; L402-E406 PolarHBondContact O-N 2.79Å; E406-K410 WeakPolarHBondContact O-CB 3.17Å; E406-K410 PolarHBondContact O-N 3.08Å |
| 407 | A | 97.3 | Very high | 92.2 | Very high | 8 Ų | 8 | 54 Ų | 54 | 7% | 0.066 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -69 | -38.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | F342 L346 D403 L404 Y405 K410 L411 | F342-A407 HydrophobicContact CD2-CB 3.74Å; F342-A407 HydrophobicContact CE2-CB 3.48Å; F342-A407 VanDerWaalsContact CE2-CB 3.48Å; F342-A407 HydrophobicContact CZ-CB 4.46Å; L346-A407 HydrophobicContact CD2-CB 3.7Å; L346-A407 HydrophobicContact CG-CB 4.45Å; D403-A407 WeakPolarHBondContact O-CB 3.48Å; D403-A407 PolarHBondContact O-N 3.4Å; L404-A407 PolarHBondContact O-N 3.43Å; Y405-A407 VanDerWaalsContact C-N 3.28Å; Y405-A407 PolarHBondContact O-N 3.46Å; A407-K410 PolarHBondContact O-N 2.86Å; A407-L411 WeakPolarHBondContact O-CB 3.39Å; A407-L411 PolarHBondContact O-N 2.87Å |
| 408 | L | 97.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -69.8 | -38.1 | 175.4 | -71.2 | 171.2 | 0 | 0 | 0 | 112.5 | L294 H297 M299 V300 L332 F342 L404 Y405 K410 L411 D412 | L294-L408 HydrophobicContact CD2-CD1 3.77Å; H297-L408 HydrophobicContact CB-CD1 4.03Å; H297-L408 WeakPolarHBondContact CE1-CB 3.43Å; M299-L408 HydrophobicContact CB-CD2 4.16Å; V300-L408 HydrophobicContact CG2-CD1 3.98Å; L332-L408 HydrophobicContact CD1-CD2 4.17Å; L332-L408 HydrophobicContact CD2-CD2 3.72Å; F342-L408 HydrophobicContact CD2-CD2 4.04Å; F342-L408 HydrophobicContact CD2-CG 4.39Å; F342-L408 HydrophobicContact CE2-CB 4.46Å; F342-L408 HydrophobicContact CE2-CD2 3.62Å; F342-L408 HydrophobicContact CE2-CG 3.62Å; F342-L408 HydrophobicContact CZ-CD2 4.09Å; F342-L408 HydrophobicContact CZ-CG 4.16Å; L404-L408 WeakPolarHBondContact O-CB 3.23Å; L404-L408 VanDerWaalsContact O-CG 3.23Å; L404-L408 WeakPolarHBondContact O-CG 3.27Å; L404-L408 PolarHBondContact O-N 3.41Å; Y405-L408 PolarHBondContact O-N 3.21Å; L408-K410 VanDerWaalsContact C-N 3.33Å; L408-L411 PolarHBondContact O-N 3.24Å; L408-D412 PolarHBondContact O-N 3.19Å |
| 409 | D | 95.8 | Very high | 89.2 | Confident | 73 Ų | 73 | 63.9 Ų | 63.9 | 39% | 0.39 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.2 | -38.7 | 174.7 | -84.7 | -24.2 | 0 | 0 | 0 | 111.1 | H297 Y405 K413 | H297-D409 IonicContact NE2-OD1 3.28Å; H297-D409 PolarHBondContact NE2-OD1 3.14Å; Y405-D409 WeakPolarHBondContact O-CB 3.07Å; Y405-D409 PolarHBondContact O-N 3.32Å; D409-K413 VanDerWaalsContact O-CG 3.31Å; D409-K413 WeakPolarHBondContact O-CG 3.38Å; D409-K413 PolarHBondContact O-N 3.46Å |
| 410 | K | 95.2 | Very high | 88.7 | Confident | 95 Ų | 95 | 62.4 Ų | 62.4 | 41% | 0.413 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.6 | -46.1 | 172.8 | -175.5 | -179.6 | 176 | -176 | 0 | 110.6 | N345 E406 A407 L408 D412 K413 D414 | N345-K410 PolarHBondContact OD1-NZ 3.07Å; E406-K410 WeakPolarHBondContact O-CB 3.17Å; E406-K410 PolarHBondContact O-N 3.08Å; A407-K410 PolarHBondContact O-N 2.86Å; L408-K410 VanDerWaalsContact C-N 3.33Å; K410-D412 PolarHBondContact O-N 2.99Å; K410-K413 WeakPolarHBondContact O-CB 3.31Å; K410-K413 PolarHBondContact O-N 3.4Å; K410-D414 PolarHBondContact O-N 3.33Å |
| 411 | L | 94.3 | Very high | 88.1 | Confident | 8 Ų | 8 | 65.9 Ų | 65.9 | 4% | 0.042 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.7 | -40.2 | 178.1 | -179.5 | 66.3 | 0 | 0 | 0 | 112.9 | M299 L332 C334 Q338 F342 A407 L408 K413 D414 S415 | M299-L411 HydrophobicContact CE-CD2 4.05Å; M299-L411 HydrophobicContact CE-CG 4.04Å; L332-L411 HydrophobicContact CD1-CD2 4.39Å; C334-L411 HydrophobicContact CB-CD1 4.44Å; C334-L411 HydrophobicContact CB-CD2 3.97Å; Q338-L411 HydrophobicContact CB-CD1 3.73Å; Q338-L411 HydrophobicContact CG-CD1 4.01Å; F342-L411 HydrophobicContact CB-CD2 4.37Å; A407-L411 WeakPolarHBondContact O-CB 3.39Å; A407-L411 PolarHBondContact O-N 2.87Å; L408-L411 PolarHBondContact O-N 3.24Å; L411-K413 VanDerWaalsContact C-N 3.34Å; L411-D414 PolarHBondContact O-N 3.13Å; L411-S415 WeakPolarHBondContact O-CB 3.16Å; L411-S415 PolarHBondContact O-N 2.73Å; L411-S415 PolarHBondContact O-OG 3.12Å |
| 412 | D | 93.1 | Very high | 87.5 | Confident | 36 Ų | 36 | 69.7 Ų | 69.7 | 19% | 0.193 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.4 | -40.4 | 175.4 | -176.6 | 36.1 | 0 | 0 | 0 | 111.7 | M299 L408 K410 S415 K416 | M299-D412 HydrophobicContact CG-CB 3.6Å; M299-D412 HydrophobicContact SD-CB 3.94Å; L408-D412 PolarHBondContact O-N 3.19Å; K410-D412 PolarHBondContact O-N 2.99Å; D412-S415 PolarHBondContact O-N 3.31Å; D412-K416 WeakPolarHBondContact OD1-CE 3.49Å; D412-K416 IonicContact OD1-NZ 3.75Å; D412-K416 PolarHBondContact OD1-NZ 2.93Å; D412-K416 IonicContact OD2-NZ 2.71Å; D412-K416 PolarHBondContact OD2-NZ 3.1Å |
| 413 | K | 91.5 | Very high | 86.8 | Confident | 150 Ų | 150 | 70.8 Ų | 70.8 | 65% | 0.652 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -65 | -44.6 | 176.3 | -71.1 | 168.3 | -172.8 | 169.5 | 0 | 111.7 | D409 K410 L411 S415 K416 | D409-K413 VanDerWaalsContact O-CG 3.31Å; D409-K413 WeakPolarHBondContact O-CG 3.38Å; D409-K413 PolarHBondContact O-N 3.46Å; K410-K413 WeakPolarHBondContact O-CB 3.31Å; K410-K413 PolarHBondContact O-N 3.4Å; L411-K413 VanDerWaalsContact C-N 3.34Å; K413-S415 PolarHBondContact O-N 2.83Å; K413-K416 PolarHBondContact O-N 2.87Å |
| 414 | D | 86.1 | Confident | 86 | Confident | 105 Ų | 105 | 74.7 Ų | 74.7 | 56% | 0.561 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -71.2 | -19.8 | -178.4 | -65 | -16 | 0 | 0 | 0 | 112.6 | K410 L411 | K410-D414 PolarHBondContact O-N 3.33Å; L411-D414 PolarHBondContact O-N 3.13Å |
| 415 | S | 77.4 | Confident | 85.2 | Confident | 43 Ų | 43 | 79.9 Ų | 79.9 | 30% | 0.301 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -86.4 | -13.4 | -179.8 | -58.6 | 0 | 0 | 0 | 0 | 114.1 | Q338 L411 D412 K413 | Q338-S415 PolarHBondContact NE2-OG 2.66Å; L411-S415 WeakPolarHBondContact O-CB 3.16Å; L411-S415 PolarHBondContact O-N 2.73Å; L411-S415 PolarHBondContact O-OG 3.12Å; D412-S415 PolarHBondContact O-N 3.31Å; K413-S415 PolarHBondContact O-N 2.83Å |
| 416 | K | 72.7 | Confident | 84.2 | Confident | 121 Ų | 121 | 84.7 Ų | 84.7 | 53% | 0.526 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -89.9 | 130.5 | 179.1 | -73 | 168.3 | -174.4 | 156 | 0 | 109.5 | D412 K413 I418 | D412-K416 WeakPolarHBondContact OD1-CE 3.49Å; D412-K416 IonicContact OD1-NZ 3.75Å; D412-K416 PolarHBondContact OD1-NZ 2.93Å; D412-K416 IonicContact OD2-NZ 2.71Å; D412-K416 PolarHBondContact OD2-NZ 3.1Å; K413-K416 PolarHBondContact O-N 2.87Å; K416-I418 PolarHBondContact O-N 3.39Å |
| 417 | P | 54.5 | Low | 83.2 | Confident | 128 Ų | 128 | 83.9 Ų | 83.9 | 83% | 0.831 | 43% | 0.434 | S | S | * | . | trans | -59.3 | 133.3 | 170.6 | 23.9 | -29.9 | 0 | 0 | 0 | 109.2 | ||||
| 418 | I | 42.8 | Very low | 81.9 | Confident | 240 Ų | 240 | 90.8 Ų | 90.8 | 100% | 1.231 | 47% | 0.467 | S | S | * | . | trans | -58.3 | 0 | 173.9 | -64.5 | 172.7 | 0 | 0 | 0 | 110.4 | K416 | K416-I418 PolarHBondContact O-N 3.39Š|
Retrieved 418 of 418 residues in 648.2 ms
(Link to these results)