| 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 | 44.9 | Very low | 85.5 | Confident | 206 Ų | 206 | 91.5 Ų | 91.5 | 100% | 1.015 | 45% | 0.454 | S | S | * | . | 0 | 102.7 | 0 | -167.2 | 176.1 | 83.8 | 0 | 0 | 106 | M3 | M1-M3 HydrophobicContact CE-CG 3.51Å; M1-M3 HydrophobicContact CE-SD 3.71Å; M1-M3 PolarHBondContact O-N 3.31Å | |||
| 2 | E | 58 | Low | 86.5 | Confident | 204 Ų | 204 | 84.7 Ų | 84.7 | 95% | 0.953 | 42% | 0.422 | S | S | * | . | trans | -68.1 | 102.9 | 172.9 | -77.5 | 179.8 | 163.2 | 0 | 0 | 107.3 | ||||
| 3 | M | 73.2 | Confident | 87.5 | Confident | 57 Ų | 57 | 78.6 Ų | 78.6 | 28% | 0.281 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -79.8 | 127.1 | 171.3 | -69 | -179.6 | 58.9 | 0 | 0 | 107.6 | M1 L5 A376 M377 V380 | M1-M3 HydrophobicContact CE-CG 3.51Å; M1-M3 HydrophobicContact CE-SD 3.71Å; M1-M3 PolarHBondContact O-N 3.31Å; M3-L5 PolarHBondContact O-N 3.17Å; M3-A376 HydrophobicContact SD-CB 4.27Å; M3-M377 HydrophobicContact CE-CB 4.17Å; M3-M377 HydrophobicContact CE-CE 3.46Å; M3-M377 VanDerWaalsContact CE-CE 3.46Å; M3-M377 HydrophobicContact CE-SD 4.06Å; M3-V380 HydrophobicContact CB-CG2 4.27Å; M3-V380 HydrophobicContact SD-CG2 4.24Å |
| 4 | D | 87.2 | Confident | 88.2 | Confident | 110 Ų | 110 | 77.7 Ų | 77.7 | 59% | 0.588 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -65.6 | 134.6 | 176.3 | -169.5 | 30.9 | 0 | 0 | 0 | 109.9 | R10 | D4-R10 IonicContact OD1-CZ 2.79Å; D4-R10 VanDerWaalsContact OD1-CZ 3.3Å; D4-R10 IonicContact OD1-NH1 2.81Å; D4-R10 PolarHBondContact OD1-NH1 3.38Å; D4-R10 IonicContact OD1-NH2 3.3Å; D4-R10 PolarHBondContact OD1-NH2 2.84Å; D4-R10 IonicContact OD2-CZ 3.53Å; D4-R10 IonicContact OD2-NH1 3.41Å; D4-R10 PolarHBondContact OD2-NH1 3.26Å; D4-R10 IonicContact OD2-NH2 2.68Å; D4-R10 PolarHBondContact OD2-NH2 3.33Å |
| 5 | L | 94 | Very high | 88.9 | Confident | 25 Ų | 25 | 77.1 Ų | 77.1 | 13% | 0.131 | 40% | 0.4 | C | S | . | . | P | Polyproline II helix | trans | -70.4 | 140 | 178.9 | -72.7 | 162.8 | 0 | 0 | 0 | 109.8 | M3 G7 V9 R10 V380 I381 Q384 | M3-L5 PolarHBondContact O-N 3.17Å; L5-G7 PolarHBondContact O-N 3.04Å; L5-V9 HydrophobicContact CD2-CG1 4.13Å; L5-R10 HydrophobicContact CB-CG 4Å; L5-R10 PolarHBondContact O-NE 3.32Å; L5-R10 PolarHBondContact O-NH2 3.03Å; L5-V380 HydrophobicContact CD2-CG1 3.82Å; L5-I381 HydrophobicContact CD2-CG1 4.3Å; L5-Q384 HydrophobicContact CD1-CB 4.23Å; L5-Q384 HydrophobicContact CD1-CG 3.6Å; L5-Q384 HydrophobicContact CD2-CB 4.12Å; L5-Q384 HydrophobicContact CD2-CG 4.33Å |
| 6 | P | 95.1 | Very high | 89.5 | Confident | 33 Ų | 33 | 72.3 Ų | 72.3 | 21% | 0.214 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -51.4 | 140.4 | 172 | -25.2 | 33.4 | 0 | 0 | 0 | 111.2 | R8 V9 R10 L326 M377 I381 | P6-R8 PolarHBondContact O-N 3.1Å; P6-R8 VanDerWaalsContact O-N 3.15Å; P6-V9 HydrophobicContact CB-CB 4.45Å; P6-V9 HydrophobicContact CB-CG2 4Å; P6-V9 HydrophobicContact CG-CG2 4.06Å; P6-V9 WeakPolarHBondContact O-CB 3.31Å; P6-V9 PolarHBondContact O-N 3.08Å; P6-R10 PolarHBondContact O-N 2.66Å; P6-L326 HydrophobicContact CB-CD2 4.46Å; P6-M377 HydrophobicContact CG-SD 4.35Å; P6-I381 HydrophobicContact CG-CD1 4.22Å |
| 7 | G | 96.7 | Very high | 90 | Very high | 48 Ų | 48 | 73.4 Ų | 73.4 | 50% | 0.495 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -53.5 | -39.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113 | L5 V9 R10 E11 | L5-G7 PolarHBondContact O-N 3.04Å; G7-V9 PolarHBondContact O-N 3.42Å; G7-R10 PolarHBondContact O-N 2.83Å; G7-E11 PolarHBondContact O-N 3.4Å |
| 8 | R | 97.4 | Very high | 90.5 | Very high | 91 Ų | 91 | 69.8 Ų | 69.8 | 34% | 0.343 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64 | -37 | 176.1 | -179.4 | 57.2 | 178.3 | 171.8 | 2.9 | 113.6 | P6 E11 V12 D324 L326 | P6-R8 PolarHBondContact O-N 3.1Å; P6-R8 VanDerWaalsContact O-N 3.15Å; R8-E11 WeakPolarHBondContact CD-OE2 3.49Å; R8-E11 IonicContact CZ-OE2 3.87Å; R8-E11 IonicContact NH1-OE1 3.21Å; R8-E11 PolarHBondContact NH1-OE1 2.96Å; R8-E11 IonicContact NH1-OE2 2.87Å; R8-E11 PolarHBondContact NH1-OE2 3.25Å; R8-E11 PolarHBondContact O-N 3.35Å; R8-V12 WeakPolarHBondContact O-CG2 3.46Å; R8-V12 PolarHBondContact O-N 3.01Å; R8-D324 WeakPolarHBondContact CG-OD2 3.49Å; R8-D324 IonicContact CZ-OD2 3.62Å; R8-D324 IonicContact NE-OD2 3.68Å; R8-D324 PolarHBondContact NE-OD2 3Å; R8-D324 IonicContact NH2-OD2 3.34Å; R8-L326 HydrophobicContact CB-CD1 3.77Å; R8-L326 HydrophobicContact CG-CD1 3.75Å |
| 9 | V | 98.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.3 | -44.1 | 175.8 | 175 | 0 | 0 | 0 | 0 | 110.1 | L5 P6 G7 E11 V12 L13 F321 L326 I381 | L5-V9 HydrophobicContact CD2-CG1 4.13Å; P6-V9 HydrophobicContact CB-CB 4.45Å; P6-V9 HydrophobicContact CB-CG2 4Å; P6-V9 HydrophobicContact CG-CG2 4.06Å; P6-V9 WeakPolarHBondContact O-CB 3.31Å; P6-V9 PolarHBondContact O-N 3.08Å; G7-V9 PolarHBondContact O-N 3.42Å; V9-E11 PolarHBondContact O-N 3.25Å; V9-V12 PolarHBondContact O-N 3.03Å; V9-L13 HydrophobicContact CG1-CD1 3.85Å; V9-L13 HydrophobicContact CG1-CG 4.38Å; V9-L13 WeakPolarHBondContact O-CB 3.41Å; V9-L13 VanDerWaalsContact O-CG 3.3Å; V9-L13 WeakPolarHBondContact O-CG 3.32Å; V9-L13 PolarHBondContact O-N 2.86Å; V9-F321 HydrophobicContact CB-CE1 4.21Å; V9-F321 HydrophobicContact CB-CZ 4.12Å; V9-F321 HydrophobicContact CG1-CE1 4.45Å; V9-F321 HydrophobicContact CG1-CE2 4.05Å; V9-F321 HydrophobicContact CG1-CZ 3.86Å; V9-F321 HydrophobicContact CG2-CD1 4.02Å; V9-F321 HydrophobicContact CG2-CD2 4.45Å; V9-F321 HydrophobicContact CG2-CE1 3.92Å; V9-F321 HydrophobicContact CG2-CE2 4.35Å; V9-F321 HydrophobicContact CG2-CG 4.3Å; V9-F321 HydrophobicContact CG2-CZ 4.1Å; V9-L326 HydrophobicContact CG2-CD1 3.98Å; V9-I381 HydrophobicContact CG1-CG2 4.26Å; V9-I381 HydrophobicContact CG2-CD1 4Å; V9-I381 HydrophobicContact CG2-CG1 4.12Å; V9-I381 HydrophobicContact CG2-CG2 4.26Å |
| 10 | R | 97.6 | Very high | 91.3 | Very high | 117 Ų | 117 | 69.7 Ų | 69.7 | 44% | 0.442 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.5 | -43.1 | 175.6 | -72 | -173.5 | -79.5 | -145.2 | -16.4 | 112.5 | D4 L5 P6 G7 L13 S14 | D4-R10 IonicContact OD1-CZ 2.79Å; D4-R10 VanDerWaalsContact OD1-CZ 3.3Å; D4-R10 IonicContact OD1-NH1 2.81Å; D4-R10 PolarHBondContact OD1-NH1 3.38Å; D4-R10 IonicContact OD1-NH2 3.3Å; D4-R10 PolarHBondContact OD1-NH2 2.84Å; D4-R10 IonicContact OD2-CZ 3.53Å; D4-R10 IonicContact OD2-NH1 3.41Å; D4-R10 PolarHBondContact OD2-NH1 3.26Å; D4-R10 IonicContact OD2-NH2 2.68Å; D4-R10 PolarHBondContact OD2-NH2 3.33Å; L5-R10 HydrophobicContact CB-CG 4Å; L5-R10 PolarHBondContact O-NE 3.32Å; L5-R10 PolarHBondContact O-NH2 3.03Å; P6-R10 PolarHBondContact O-N 2.66Å; G7-R10 PolarHBondContact O-N 2.83Å; R10-L13 PolarHBondContact O-N 3.26Å; R10-S14 WeakPolarHBondContact O-CB 3.49Å; R10-S14 PolarHBondContact O-N 3.26Å |
| 11 | E | 98 | Very high | 91.6 | Very high | 115 Ų | 115 | 72.4 Ų | 72.4 | 54% | 0.537 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.2 | -45.6 | 178.2 | -173.3 | -163.7 | 171.2 | 0 | 0 | 112.2 | G7 R8 V9 S14 | G7-E11 PolarHBondContact O-N 3.4Å; R8-E11 WeakPolarHBondContact CD-OE2 3.49Å; R8-E11 IonicContact CZ-OE2 3.87Å; R8-E11 IonicContact NH1-OE1 3.21Å; R8-E11 PolarHBondContact NH1-OE1 2.96Å; R8-E11 IonicContact NH1-OE2 2.87Å; R8-E11 PolarHBondContact NH1-OE2 3.25Å; R8-E11 PolarHBondContact O-N 3.35Å; V9-E11 PolarHBondContact O-N 3.25Å; E11-S14 PolarHBondContact O-OG 2.96Å; E11-S14 VanDerWaalsContact O-OG 3.13Å |
| 12 | V | 98.4 | Very high | 94.2 | Very high | 10 Ų | 10 | 64.3 Ų | 64.3 | 6% | 0.061 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -68.4 | -36.9 | 179.8 | 166.5 | 0 | 0 | 0 | 0 | 111.8 | R8 V9 P15 F16 Y285 L317 F321 | R8-V12 WeakPolarHBondContact O-CG2 3.46Å; R8-V12 PolarHBondContact O-N 3.01Å; V9-V12 PolarHBondContact O-N 3.03Å; V12-P15 WeakPolarHBondContact O-CD 3.48Å; V12-F16 WeakPolarHBondContact O-CE2 3.41Å; V12-Y285 HydrophobicContact CG1-CE2 3.81Å; V12-Y285 WeakPolarHBondContact CG1-OH 3.47Å; V12-L317 HydrophobicContact CG1-CD2 3.86Å; V12-F321 HydrophobicContact CB-CE1 3.6Å; V12-F321 HydrophobicContact CB-CZ 3.78Å; V12-F321 HydrophobicContact CG1-CE1 3.71Å; V12-F321 HydrophobicContact CG1-CZ 3.61Å; V12-F321 HydrophobicContact CG2-CE1 3.83Å |
| 13 | L | 98.5 | Very high | 96.1 | Very high | 6 Ų | 6 | 54.6 Ų | 54.6 | 3% | 0.031 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -83 | -21.3 | -178.7 | -66.9 | -175.5 | 0 | 0 | 0 | 113.9 | V9 R10 P15 F16 L317 F321 Q384 V385 T388 | V9-L13 HydrophobicContact CG1-CD1 3.85Å; V9-L13 HydrophobicContact CG1-CG 4.38Å; V9-L13 WeakPolarHBondContact O-CB 3.41Å; V9-L13 VanDerWaalsContact O-CG 3.3Å; V9-L13 WeakPolarHBondContact O-CG 3.32Å; V9-L13 PolarHBondContact O-N 2.86Å; R10-L13 PolarHBondContact O-N 3.26Å; L13-P15 VanDerWaalsContact C-CD 3.41Å; L13-F16 WeakPolarHBondContact O-CB 3.35Å; L13-F16 PolarHBondContact O-N 2.9Å; L13-L317 HydrophobicContact CD2-CD1 4.13Å; L13-F321 HydrophobicContact CD2-CZ 4.45Å; L13-F321 HydrophobicContact CG-CZ 4.25Å; L13-Q384 HydrophobicContact CD1-CB 4.47Å; L13-Q384 HydrophobicContact CD1-CG 3.67Å; L13-V385 HydrophobicContact CD1-CG2 4.28Å; L13-V385 HydrophobicContact CD2-CG2 4.25Å; L13-T388 HydrophobicContact CB-CG2 4.24Å; L13-T388 HydrophobicContact CD2-CG2 4.25Å |
| 14 | S | 98.2 | Very high | 97.3 | Very high | 66 Ų | 66 | 54.6 Ų | 54.6 | 46% | 0.462 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -57.1 | -38.3 | -175.1 | 67.7 | 0 | 0 | 0 | 0 | 114.9 | R10 E11 F16 L17 | R10-S14 WeakPolarHBondContact O-CB 3.49Å; R10-S14 PolarHBondContact O-N 3.26Å; E11-S14 PolarHBondContact O-OG 2.96Å; E11-S14 VanDerWaalsContact O-OG 3.13Å; S14-F16 PolarHBondContact O-N 3.12Å; S14-L17 PolarHBondContact O-N 3.28Å; S14-L17 VanDerWaalsContact O-N 3.15Å |
| 15 | P | 98.1 | Very high | 97.8 | Very high | 69 Ų | 69 | 55.2 Ų | 55.2 | 45% | 0.448 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -67.7 | -14.2 | 178.5 | -19.8 | 35.4 | 0 | 0 | 0 | 114.2 | V12 L13 T283 | V12-P15 WeakPolarHBondContact O-CD 3.48Å; L13-P15 VanDerWaalsContact C-CD 3.41Å; P15-T283 HydrophobicContact CB-CG2 3.95Å |
| 16 | F | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -83.4 | -18.3 | 176.7 | -65.8 | -102.5 | 0 | 0 | 0 | 112.2 | V12 L13 S14 L18 T283 Y285 L313 L317 T388 R392 | V12-F16 WeakPolarHBondContact O-CE2 3.41Å; L13-F16 WeakPolarHBondContact O-CB 3.35Å; L13-F16 PolarHBondContact O-N 2.9Å; S14-F16 PolarHBondContact O-N 3.12Å; F16-L18 PolarHBondContact O-N 2.6Å; F16-T283 HydrophobicContact CD2-CG2 4.29Å; F16-T283 HydrophobicContact CE1-CG2 4.35Å; F16-T283 HydrophobicContact CE2-CG2 3.9Å; F16-T283 HydrophobicContact CZ-CG2 3.91Å; F16-Y285 AromaticContact CE2-CD2 3.88Å; F16-Y285 HydrophobicContact CE2-CD2 3.88Å; F16-Y285 HydrophobicContact CE2-CE2 4.27Å; F16-Y285 AromaticContact CZ-CD2 3.69Å; F16-Y285 HydrophobicContact CZ-CD2 3.69Å; F16-Y285 HydrophobicContact CZ-CE2 4.5Å; F16-Y285 HydrophobicContact CZ-CG 4.4Å; F16-L313 HydrophobicContact CE1-CD1 3.91Å; F16-L313 HydrophobicContact CE1-CD2 3.95Å; F16-L313 HydrophobicContact CE1-CG 4.26Å; F16-L313 HydrophobicContact CZ-CD1 4.19Å; F16-L317 HydrophobicContact CE1-CD1 4.12Å; F16-L317 HydrophobicContact CE2-CD1 4.39Å; F16-L317 HydrophobicContact CE2-CD2 3.93Å; F16-L317 HydrophobicContact CZ-CD1 3.96Å; F16-L317 HydrophobicContact CZ-CD2 3.82Å; F16-L317 HydrophobicContact CZ-CG 4.35Å; F16-T388 HydrophobicContact CB-CG2 3.43Å; F16-T388 VanDerWaalsContact CB-CG2 3.43Å; F16-T388 HydrophobicContact CG-CG2 4.25Å; F16-R392 HydrophobicContact CB-CB 4.43Å; F16-R392 WeakPolarHBondContact O-CB 3.24Å; F16-R392 WeakPolarHBondContact O-CG 3.49Å |
| 17 | L | 98.1 | Very high | 98.2 | Very high | 90 Ų | 90 | 53.5 Ų | 53.5 | 47% | 0.471 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -84.4 | 102.8 | 177.4 | -58.3 | 177.1 | 0 | 0 | 0 | 109 | S14 T388 | S14-L17 PolarHBondContact O-N 3.28Å; S14-L17 VanDerWaalsContact O-N 3.15Å; L17-T388 HydrophobicContact CD2-CG2 4.01Å; L17-T388 HydrophobicContact CG-CG2 4.5Å |
| 18 | L | 98.5 | Very high | 98.3 | Very high | 10 Ų | 10 | 53.6 Ų | 53.6 | 5% | 0.052 | 26% | 0.26 | C | S | . | . | trans | -85.2 | 128.8 | -176.7 | -53.3 | -175.8 | 0 | 0 | 0 | 110.3 | F16 T22 L23 I26 I281 R392 I396 | F16-L18 PolarHBondContact O-N 2.6Å; L18-T22 HydrophobicContact CB-CG2 4Å; L18-T22 HydrophobicContact CD2-CG2 3.97Å; L18-T22 HydrophobicContact CG-CG2 4.38Å; L18-L23 HydrophobicContact CB-CD2 3.84Å; L18-L23 HydrophobicContact CB-CG 4.26Å; L18-L23 HydrophobicContact CD1-CD2 3.8Å; L18-L23 HydrophobicContact CG-CD2 4.49Å; L18-I26 HydrophobicContact CD1-CD1 4.3Å; L18-I281 HydrophobicContact CD2-CB 4.36Å; L18-I281 HydrophobicContact CD2-CG2 4.07Å; L18-R392 HydrophobicContact CD1-CG 4.18Å; L18-R392 HydrophobicContact CG-CG 4.29Å; L18-I396 HydrophobicContact CD1-CD1 4.06Å; L18-I396 HydrophobicContact CD1-CG1 3.53Å | ||
| 19 | S | 98.2 | Very high | 98.3 | Very high | 49 Ų | 49 | 51.8 Ų | 51.8 | 34% | 0.343 | 26% | 0.256 | S | S | . | . | trans | -75.5 | 163.2 | 175 | 86 | 0 | 0 | 0 | 0 | 111.3 | E21 T22 L23 | S19-E21 VanDerWaalsContact C-N 3.26Å; S19-E21 VanDerWaalsContact CB-OE2 3.24Å; S19-E21 WeakPolarHBondContact CB-OE2 3.33Å; S19-E21 PolarHBondContact O-N 3.13Å; S19-E21 PolarHBondContact OG-N 2.94Å; S19-E21 PolarHBondContact OG-OE2 2.78Å; S19-T22 WeakPolarHBondContact O-CB 3.4Å; S19-T22 PolarHBondContact O-N 3.17Å; S19-T22 VanDerWaalsContact O-N 3.11Å; S19-T22 PolarHBondContact OG-N 2.82Å; S19-L23 WeakPolarHBondContact O-CG 2.88Å; S19-L23 PolarHBondContact O-N 3.29Å | ||
| 20 | K | 98.4 | Very high | 98.4 | Very high | 87 Ų | 87 | 51.8 Ų | 51.8 | 38% | 0.378 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -53.3 | -45.2 | 173.6 | 175.2 | 173.6 | 167.8 | 152 | 0 | 111.7 | T22 L23 E24 E438 I439 | K20-T22 VanDerWaalsContact C-N 3.31Å; K20-T22 PolarHBondContact O-N 2.87Å; K20-L23 PolarHBondContact O-N 2.71Å; K20-L23 VanDerWaalsContact O-N 3.12Å; K20-E24 WeakPolarHBondContact CE-OE1 3.43Å; K20-E24 HydrophobicContact CG-CG 4.37Å; K20-E24 IonicContact NZ-OE1 3.99Å; K20-E24 WeakPolarHBondContact O-CG 3.46Å; K20-E24 PolarHBondContact O-N 3.27Å; K20-E438 WeakPolarHBondContact CE-O 3.49Å; K20-E438 PolarHBondContact NZ-O 3.19Å; K20-I439 HydrophobicContact CG-CG2 4.05Å |
| 21 | E | 98.4 | Very high | 98.4 | Very high | 128 Ų | 128 | 46.4 Ų | 46.4 | 60% | 0.598 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -63.8 | -37.2 | -179.7 | -56.2 | 74.8 | -165.4 | 0 | 0 | 111.7 | S19 R25 | S19-E21 VanDerWaalsContact C-N 3.26Å; S19-E21 VanDerWaalsContact CB-OE2 3.24Å; S19-E21 WeakPolarHBondContact CB-OE2 3.33Å; S19-E21 PolarHBondContact O-N 3.13Å; S19-E21 PolarHBondContact OG-N 2.94Å; S19-E21 PolarHBondContact OG-OE2 2.78Å; E21-R25 WeakPolarHBondContact O-CB 3.42Å; E21-R25 PolarHBondContact O-N 2.63Å |
| 22 | T | 98.6 | Very high | 98.4 | Very high | 36 Ų | 36 | 47.9 Ų | 47.9 | 22% | 0.221 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.6 | -43.8 | 172.7 | -70 | 0 | 0 | 0 | 0 | 111.3 | L18 S19 K20 R25 I26 F280 I281 | L18-T22 HydrophobicContact CB-CG2 4Å; L18-T22 HydrophobicContact CD2-CG2 3.97Å; L18-T22 HydrophobicContact CG-CG2 4.38Å; S19-T22 WeakPolarHBondContact O-CB 3.4Å; S19-T22 PolarHBondContact O-N 3.17Å; S19-T22 VanDerWaalsContact O-N 3.11Å; S19-T22 PolarHBondContact OG-N 2.82Å; K20-T22 VanDerWaalsContact C-N 3.31Å; K20-T22 PolarHBondContact O-N 2.87Å; T22-R25 WeakPolarHBondContact O-CB 3.34Å; T22-R25 PolarHBondContact O-N 2.84Å; T22-I26 HydrophobicContact CG2-CD1 4.34Å; T22-I26 WeakPolarHBondContact O-CG1 3.34Å; T22-I26 PolarHBondContact O-N 3.44Å; T22-F280 HydrophobicContact CG2-CE2 3.99Å; T22-I281 HydrophobicContact CG2-CG2 3.64Å |
| 23 | L | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -68.3 | -40.2 | 178.7 | -62.3 | -179.3 | 0 | 0 | 0 | 112.5 | L18 S19 K20 R25 I26 R27 S395 A399 R435 I439 | L18-L23 HydrophobicContact CB-CD2 3.84Å; L18-L23 HydrophobicContact CB-CG 4.26Å; L18-L23 HydrophobicContact CD1-CD2 3.8Å; L18-L23 HydrophobicContact CG-CD2 4.49Å; S19-L23 WeakPolarHBondContact O-CG 2.88Å; S19-L23 PolarHBondContact O-N 3.29Å; K20-L23 PolarHBondContact O-N 2.71Å; K20-L23 VanDerWaalsContact O-N 3.12Å; L23-R25 VanDerWaalsContact C-N 3.29Å; L23-R25 PolarHBondContact O-N 3.49Å; L23-I26 HydrophobicContact CD2-CD1 4.3Å; L23-I26 PolarHBondContact O-N 3.03Å; L23-R27 WeakPolarHBondContact O-CB 3.44Å; L23-R27 PolarHBondContact O-N 3.08Å; L23-S395 WeakPolarHBondContact CD2-O 3.38Å; L23-A399 HydrophobicContact CB-CB 4.35Å; L23-A399 HydrophobicContact CD2-CB 4.29Å; L23-R435 HydrophobicContact CD1-CB 4.48Å; L23-I439 HydrophobicContact CB-CD1 3.78Å; L23-I439 HydrophobicContact CB-CG2 3.97Å; L23-I439 HydrophobicContact CD1-CD1 4.24Å |
| 24 | E | 98.6 | Very high | 98.5 | Very high | 57 Ų | 57 | 47.6 Ų | 47.6 | 27% | 0.266 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.7 | -39.7 | 172.9 | -71.7 | 177.1 | 155.4 | 0 | 0 | 111.5 | K20 R27 D28 I439 | K20-E24 WeakPolarHBondContact CE-OE1 3.43Å; K20-E24 HydrophobicContact CG-CG 4.37Å; K20-E24 IonicContact NZ-OE1 3.99Å; K20-E24 WeakPolarHBondContact O-CG 3.46Å; K20-E24 PolarHBondContact O-N 3.27Å; E24-R27 PolarHBondContact O-N 3.14Å; E24-D28 WeakPolarHBondContact O-CB 3.47Å; E24-D28 VanDerWaalsContact O-CG 3.3Å; E24-D28 PolarHBondContact O-N 3.42Å; E24-I439 HydrophobicContact CG-CB 4.43Å; E24-I439 HydrophobicContact CG-CG2 3.97Å |
| 25 | R | 98.5 | Very high | 98.5 | Very high | 123 Ų | 123 | 50.2 Ų | 50.2 | 46% | 0.464 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.5 | -47.5 | 173.4 | -179.6 | 177.3 | 172.2 | -168.8 | -2.5 | 111.9 | E21 T22 L23 R27 D28 E29 F280 | E21-R25 WeakPolarHBondContact O-CB 3.42Å; E21-R25 PolarHBondContact O-N 2.63Å; T22-R25 WeakPolarHBondContact O-CB 3.34Å; T22-R25 PolarHBondContact O-N 2.84Å; L23-R25 VanDerWaalsContact C-N 3.29Å; L23-R25 PolarHBondContact O-N 3.49Å; R25-R27 VanDerWaalsContact C-N 3.33Å; R25-R27 PolarHBondContact O-N 3.02Å; R25-D28 PolarHBondContact O-N 3.16Å; R25-E29 HydrophobicContact CG-CG 4.47Å; R25-E29 WeakPolarHBondContact O-CG 3.46Å; R25-E29 PolarHBondContact O-N 2.84Å; R25-F280 HydrophobicContact CB-CE2 4.45Å; R25-F280 HydrophobicContact CB-CZ 4.24Å; R25-F280 HydrophobicContact CG-CE1 4.3Å; R25-F280 HydrophobicContact CG-CE2 4.16Å; R25-F280 HydrophobicContact CG-CZ 3.74Å; R25-F280 VanDerWaalsContact CZ-CD1 3.49Å; R25-F280 VanDerWaalsContact CZ-CG 3.48Å; R25-F280 VanDerWaalsContact NH1-CG 3.33Å |
| 26 | I | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57.3 | -50.5 | 176.7 | -65.6 | 168.7 | 0 | 0 | 0 | 109.7 | L18 T22 L23 D28 E29 M30 L278 F280 I281 I396 A399 | L18-I26 HydrophobicContact CD1-CD1 4.3Å; T22-I26 HydrophobicContact CG2-CD1 4.34Å; T22-I26 WeakPolarHBondContact O-CG1 3.34Å; T22-I26 PolarHBondContact O-N 3.44Å; L23-I26 HydrophobicContact CD2-CD1 4.3Å; L23-I26 PolarHBondContact O-N 3.03Å; I26-D28 PolarHBondContact O-N 2.98Å; I26-E29 PolarHBondContact O-N 2.85Å; I26-M30 HydrophobicContact CG2-CG 4.37Å; I26-M30 HydrophobicContact CG2-SD 3.93Å; I26-M30 WeakPolarHBondContact O-CG 3.41Å; I26-M30 PolarHBondContact O-N 3.28Å; I26-L278 HydrophobicContact CG1-CD2 4.26Å; I26-L278 HydrophobicContact CG2-CD2 4.29Å; I26-F280 HydrophobicContact CG1-CE2 4.43Å; I26-F280 HydrophobicContact CG1-CZ 3.72Å; I26-I281 HydrophobicContact CD1-CD1 3.95Å; I26-I281 HydrophobicContact CD1-CG2 4.44Å; I26-I396 HydrophobicContact CD1-CG1 4.43Å; I26-A399 HydrophobicContact CB-CB 3.96Å; I26-A399 HydrophobicContact CG2-CB 3.79Å |
| 27 | R | 98.3 | Very high | 98.5 | Very high | 22 Ų | 22 | 49.9 Ų | 49.9 | 8% | 0.083 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -52.7 | -52.1 | 178 | 178.5 | -160 | 67.3 | -150.9 | -9.4 | 111.5 | L23 E24 R25 M30 V31 A402 A403 I439 | L23-R27 WeakPolarHBondContact O-CB 3.44Å; L23-R27 PolarHBondContact O-N 3.08Å; E24-R27 PolarHBondContact O-N 3.14Å; R25-R27 VanDerWaalsContact C-N 3.33Å; R25-R27 PolarHBondContact O-N 3.02Å; R27-M30 PolarHBondContact O-N 3.34Å; R27-V31 WeakPolarHBondContact O-CG2 3.34Å; R27-V31 PolarHBondContact O-N 3.18Å; R27-A402 HydrophobicContact CG-CB 3.95Å; R27-A403 HydrophobicContact CG-CB 4.05Å; R27-A403 WeakPolarHBondContact O-CB 3.29Å; R27-I439 PolarHBondContact NH1-O 3.23Å |
| 28 | D | 98.2 | Very high | 98.4 | Very high | 49 Ų | 49 | 46 Ų | 46 | 26% | 0.262 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -71.8 | -31.1 | -173 | -69.5 | -26.5 | 0 | 0 | 0 | 113 | E24 R25 I26 R32 K406 | E24-D28 WeakPolarHBondContact O-CB 3.47Å; E24-D28 VanDerWaalsContact O-CG 3.3Å; E24-D28 PolarHBondContact O-N 3.42Å; R25-D28 PolarHBondContact O-N 3.16Å; I26-D28 PolarHBondContact O-N 2.98Å; D28-R32 WeakPolarHBondContact O-CG 3.38Å; D28-R32 PolarHBondContact O-N 3.35Å; D28-K406 IonicContact OD1-NZ 2.59Å; D28-K406 PolarHBondContact OD1-NZ 3.01Å |
| 29 | E | 98.4 | Very high | 98.4 | Very high | 54 Ų | 54 | 50.9 Ų | 50.9 | 25% | 0.252 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -68.5 | -42.9 | 170.2 | -65.1 | -58.9 | 155.2 | 0 | 0 | 111.5 | R25 I26 V31 R32 D33 F272 | R25-E29 HydrophobicContact CG-CG 4.47Å; R25-E29 WeakPolarHBondContact O-CG 3.46Å; R25-E29 PolarHBondContact O-N 2.84Å; I26-E29 PolarHBondContact O-N 2.85Å; E29-V31 VanDerWaalsContact C-N 3.32Å; E29-V31 PolarHBondContact O-N 3.43Å; E29-R32 PolarHBondContact O-N 3.2Å; E29-R32 VanDerWaalsContact O-N 3.16Å; E29-R32 IonicContact OE1-CZ 2.74Å; E29-R32 IonicContact OE1-NH1 3.04Å; E29-R32 PolarHBondContact OE1-NH1 3.18Å; E29-R32 IonicContact OE1-NH2 3.65Å; E29-R32 IonicContact OE2-CZ 3.54Å; E29-R32 IonicContact OE2-NH1 2.66Å; E29-R32 PolarHBondContact OE2-NH1 2.89Å; E29-D33 PolarHBondContact O-N 3.34Å; E29-F272 HydrophobicContact CB-CZ 3.76Å |
| 30 | M | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.9 | -39.2 | 175.8 | -71.1 | -174.3 | 83.8 | 0 | 0 | 112 | I26 R27 R32 D33 F34 W269 F272 A400 A403 | I26-M30 HydrophobicContact CG2-CG 4.37Å; I26-M30 HydrophobicContact CG2-SD 3.93Å; I26-M30 WeakPolarHBondContact O-CG 3.41Å; I26-M30 PolarHBondContact O-N 3.28Å; R27-M30 PolarHBondContact O-N 3.34Å; M30-R32 VanDerWaalsContact C-N 3.3Å; M30-R32 PolarHBondContact O-N 2.98Å; M30-D33 PolarHBondContact O-N 2.92Å; M30-F34 HydrophobicContact CB-CE2 4.13Å; M30-F34 HydrophobicContact CB-CZ 4.34Å; M30-F34 HydrophobicContact CE-CE1 4.24Å; M30-F34 HydrophobicContact CE-CE2 4.41Å; M30-F34 HydrophobicContact CE-CZ 3.64Å; M30-F34 WeakPolarHBondContact O-CB 3.41Å; M30-F34 VanDerWaalsContact O-CD2 3.29Å; M30-F34 WeakPolarHBondContact O-CD2 3.44Å; M30-F34 WeakPolarHBondContact O-CG 3.31Å; M30-F34 PolarHBondContact O-N 3.02Å; M30-W269 HydrophobicContact CE-CB 3.98Å; M30-W269 HydrophobicContact CE-CG 4.41Å; M30-F272 HydrophobicContact CB-CZ 4.41Å; M30-F272 HydrophobicContact CE-CB 4.24Å; M30-F272 HydrophobicContact CE-CD1 4.26Å; M30-F272 HydrophobicContact CE-CG 4.23Å; M30-F272 HydrophobicContact CG-CD1 3.5Å; M30-F272 HydrophobicContact CG-CD2 4.03Å; M30-F272 HydrophobicContact CG-CE1 3.35Å; M30-F272 HydrophobicContact CG-CE2 3.91Å; M30-F272 HydrophobicContact CG-CG 3.85Å; M30-F272 HydrophobicContact CG-CZ 3.57Å; M30-F272 HydrophobicContact SD-CD1 4.04Å; M30-F272 HydrophobicContact SD-CE1 4.29Å; M30-A400 HydrophobicContact CE-CB 3.66Å; M30-A400 HydrophobicContact SD-CB 3.72Å; M30-A403 HydrophobicContact CB-CB 3.63Å |
| 31 | V | 98.5 | Very high | 98.2 | Very high | 4 Ų | 4 | 48.2 Ų | 48.2 | 2% | 0.024 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.1 | -39.5 | 175.1 | 169.3 | 0 | 0 | 0 | 0 | 112 | R27 E29 R35 A403 K406 I407 | R27-V31 WeakPolarHBondContact O-CG2 3.34Å; R27-V31 PolarHBondContact O-N 3.18Å; E29-V31 VanDerWaalsContact C-N 3.32Å; E29-V31 PolarHBondContact O-N 3.43Å; V31-R35 VanDerWaalsContact O-CG 3.31Å; V31-R35 WeakPolarHBondContact O-CG 3.42Å; V31-R35 PolarHBondContact O-N 2.93Å; V31-A403 HydrophobicContact CG2-CB 3.79Å; V31-K406 HydrophobicContact CG1-CD 4.47Å; V31-K406 HydrophobicContact CG2-CB 4.02Å; V31-K406 HydrophobicContact CG2-CD 3.98Å; V31-K406 HydrophobicContact CG2-CG 4.29Å; V31-I407 HydrophobicContact CB-CG2 4.42Å; V31-I407 HydrophobicContact CG1-CG2 4.04Å; V31-I407 HydrophobicContact CG2-CG2 4.36Å |
| 32 | R | 98.4 | Very high | 98 | Very high | 145 Ų | 145 | 43.8 Ų | 43.8 | 55% | 0.547 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -67.6 | -44.5 | 175.8 | -67.2 | 177.4 | -154.5 | 146.5 | 8.1 | 110.8 | D28 E29 M30 R35 L36 | D28-R32 WeakPolarHBondContact O-CG 3.38Å; D28-R32 PolarHBondContact O-N 3.35Å; E29-R32 PolarHBondContact O-N 3.2Å; E29-R32 VanDerWaalsContact O-N 3.16Å; E29-R32 IonicContact OE1-CZ 2.74Å; E29-R32 IonicContact OE1-NH1 3.04Å; E29-R32 PolarHBondContact OE1-NH1 3.18Å; E29-R32 IonicContact OE1-NH2 3.65Å; E29-R32 IonicContact OE2-CZ 3.54Å; E29-R32 IonicContact OE2-NH1 2.66Å; E29-R32 PolarHBondContact OE2-NH1 2.89Å; M30-R32 VanDerWaalsContact C-N 3.3Å; M30-R32 PolarHBondContact O-N 2.98Å; R32-R35 PolarHBondContact O-N 3.46Å; R32-L36 PolarHBondContact O-N 3.17Å |
| 33 | D | 98.7 | Very high | 97.7 | Very high | 10 Ų | 10 | 46.8 Ų | 46.8 | 5% | 0.053 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.1 | -41.9 | -178.6 | -169 | 71.7 | 0 | 0 | 0 | 112.4 | E29 M30 R35 L36 G37 A45 S46 T47 F272 | E29-D33 PolarHBondContact O-N 3.34Å; M30-D33 PolarHBondContact O-N 2.92Å; D33-R35 VanDerWaalsContact C-N 3.35Å; D33-R35 PolarHBondContact O-N 3.36Å; D33-L36 CarbonylContact O-C 3.56Å; D33-L36 WeakPolarHBondContact O-CB 3.28Å; D33-L36 PolarHBondContact O-N 3.15Å; D33-L36 VanDerWaalsContact O-N 3.16Å; D33-G37 PolarHBondContact O-N 2.66Å; D33-A45 WeakPolarHBondContact OD1-CA 3.49Å; D33-S46 PolarHBondContact OD1-N 2.69Å; D33-S46 WeakPolarHBondContact OD2-CB 3.34Å; D33-S46 PolarHBondContact OD2-N 3.11Å; D33-T47 VanDerWaalsContact OD2-CB 3.28Å; D33-T47 WeakPolarHBondContact OD2-CB 3.29Å; D33-T47 WeakPolarHBondContact OD2-CG2 3.22Å; D33-T47 PolarHBondContact OD2-N 3.35Å; D33-T47 PolarHBondContact OD2-OG1 3.45Å; D33-F272 HydrophobicContact CB-CD2 4.01Å; D33-F272 HydrophobicContact CB-CE2 3.75Å |
| 34 | F | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.6 | -43.6 | 174.6 | -67.7 | -31.3 | 0 | 0 | 0 | 112.5 | M30 L36 G37 L38 T47 M49 W269 A403 I407 | M30-F34 HydrophobicContact CB-CE2 4.13Å; M30-F34 HydrophobicContact CB-CZ 4.34Å; M30-F34 HydrophobicContact CE-CE1 4.24Å; M30-F34 HydrophobicContact CE-CE2 4.41Å; M30-F34 HydrophobicContact CE-CZ 3.64Å; M30-F34 WeakPolarHBondContact O-CB 3.41Å; M30-F34 VanDerWaalsContact O-CD2 3.29Å; M30-F34 WeakPolarHBondContact O-CD2 3.44Å; M30-F34 WeakPolarHBondContact O-CG 3.31Å; M30-F34 PolarHBondContact O-N 3.02Å; F34-L36 VanDerWaalsContact C-N 3.32Å; F34-L36 PolarHBondContact O-N 2.83Å; F34-G37 PolarHBondContact O-N 3.22Å; F34-L38 WeakPolarHBondContact O-CG 3.33Å; F34-L38 PolarHBondContact O-N 3.48Å; F34-T47 HydrophobicContact CD1-CG2 4.08Å; F34-T47 WeakPolarHBondContact CD1-OG1 3.34Å; F34-T47 HydrophobicContact CE1-CG2 3.83Å; F34-M49 HydrophobicContact CB-CE 4Å; F34-M49 HydrophobicContact CB-SD 4.21Å; F34-M49 HydrophobicContact CD1-CE 4.21Å; F34-M49 HydrophobicContact CD1-SD 3.51Å; F34-M49 VanDerWaalsContact CD1-SD 3.51Å; F34-M49 HydrophobicContact CE1-SD 4.18Å; F34-M49 HydrophobicContact CG-CE 4.26Å; F34-M49 HydrophobicContact CG-SD 4.14Å; F34-W269 HydrophobicContact CE1-CB 3.8Å; F34-W269 HydrophobicContact CZ-CB 3.98Å; F34-W269 AromaticContact CZ-CE3 3.87Å; F34-W269 HydrophobicContact CZ-CE3 3.87Å; F34-A403 HydrophobicContact CD2-CB 4.29Å; F34-A403 HydrophobicContact CE2-CB 3.74Å; F34-I407 HydrophobicContact CB-CD1 3.63Å; F34-I407 HydrophobicContact CB-CG2 4.23Å; F34-I407 HydrophobicContact CD2-CD1 3.66Å; F34-I407 HydrophobicContact CD2-CG1 4.35Å; F34-I407 HydrophobicContact CD2-CG2 4.27Å; F34-I407 HydrophobicContact CG-CD1 3.85Å |
| 35 | R | 98.2 | Very high | 97.6 | Very high | 122 Ų | 122 | 47.6 Ų | 47.6 | 46% | 0.46 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.5 | -42.2 | 175.9 | -73.5 | 172 | -179.7 | 159.2 | 1.5 | 111.3 | V31 R32 D33 L38 E39 | V31-R35 VanDerWaalsContact O-CG 3.31Å; V31-R35 WeakPolarHBondContact O-CG 3.42Å; V31-R35 PolarHBondContact O-N 2.93Å; R32-R35 PolarHBondContact O-N 3.46Å; D33-R35 VanDerWaalsContact C-N 3.35Å; D33-R35 PolarHBondContact O-N 3.36Å; R35-L38 PolarHBondContact O-N 3.32Å; R35-E39 WeakPolarHBondContact O-CB 3.26Å; R35-E39 PolarHBondContact O-N 3.1Å |
| 36 | L | 98.3 | Very high | 97.5 | Very high | 62 Ų | 62 | 41.8 Ų | 41.8 | 33% | 0.325 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.3 | -40.9 | 174.5 | -172.6 | 65 | 0 | 0 | 0 | 111.4 | R32 D33 F34 L38 E39 V40 G41 P44 A45 | R32-L36 PolarHBondContact O-N 3.17Å; D33-L36 CarbonylContact O-C 3.56Å; D33-L36 WeakPolarHBondContact O-CB 3.28Å; D33-L36 PolarHBondContact O-N 3.15Å; D33-L36 VanDerWaalsContact O-N 3.16Å; F34-L36 VanDerWaalsContact C-N 3.32Å; F34-L36 PolarHBondContact O-N 2.83Å; L36-L38 PolarHBondContact O-N 3.36Å; L36-E39 PolarHBondContact O-N 3.06Å; L36-E39 VanDerWaalsContact O-N 3.16Å; L36-V40 HydrophobicContact CD1-CG2 3.63Å; L36-V40 HydrophobicContact CG-CG2 3.96Å; L36-V40 VanDerWaalsContact O-CG2 3.24Å; L36-V40 WeakPolarHBondContact O-CG2 3.23Å; L36-V40 PolarHBondContact O-N 3.45Å; L36-G41 PolarHBondContact O-N 2.75Å; L36-P44 HydrophobicContact CD1-CG 4.39Å; L36-P44 HydrophobicContact CD2-CG 4.16Å; L36-P44 HydrophobicContact CG-CG 4.38Å; L36-A45 HydrophobicContact CB-CB 4.19Å; L36-A45 HydrophobicContact CD2-CB 4.17Å; L36-A45 HydrophobicContact CG-CB 4.03Å |
| 37 | G | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.5 | -34.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | D33 F34 G41 K232 | D33-G37 PolarHBondContact O-N 2.66Å; F34-G37 PolarHBondContact O-N 3.22Å; G37-G41 WeakPolarHBondContact O-CA 3.28Å; G37-G41 PolarHBondContact O-N 2.7Å; G37-K232 WeakPolarHBondContact O-CD 3.31Å; G37-K232 PolarHBondContact O-NZ 2.7Å |
| 38 | L | 98 | Very high | 97.3 | Very high | 8 Ų | 8 | 41 Ų | 41 | 4% | 0.042 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -71.3 | -34.4 | 171.2 | -69.5 | 167.2 | 0 | 0 | 0 | 112.1 | F34 R35 L36 M49 Y223 E225 I230 K231 K232 I265 | F34-L38 WeakPolarHBondContact O-CG 3.33Å; F34-L38 PolarHBondContact O-N 3.48Å; R35-L38 PolarHBondContact O-N 3.32Å; L36-L38 PolarHBondContact O-N 3.36Å; L38-M49 HydrophobicContact CD1-CE 4.11Å; L38-M49 HydrophobicContact CD2-CB 4.11Å; L38-M49 HydrophobicContact CD2-CE 3.87Å; L38-M49 HydrophobicContact CG-CB 4.35Å; L38-M49 HydrophobicContact CG-CE 3.78Å; L38-M49 HydrophobicContact CG-CG 4.32Å; L38-Y223 WeakPolarHBondContact CD1-OH 3.35Å; L38-E225 WeakPolarHBondContact CD1-OE2 3.48Å; L38-E225 HydrophobicContact CD2-CG 4.09Å; L38-I230 HydrophobicContact CD2-CG1 4.13Å; L38-I230 CarbonylContact O-C 3.17Å; L38-K231 PolarHBondContact O-N 3.22Å; L38-K232 PolarHBondContact O-N 3.19Å; L38-I265 HydrophobicContact CD2-CG1 4.34Å |
| 39 | E | 97.5 | Very high | 97.3 | Very high | 112 Ų | 112 | 38.7 Ų | 38.7 | 52% | 0.523 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -75.6 | -49.7 | -177 | -167.1 | -179.4 | 171.4 | 0 | 0 | 112.6 | R35 L36 K231 K232 | R35-E39 WeakPolarHBondContact O-CB 3.26Å; R35-E39 PolarHBondContact O-N 3.1Å; L36-E39 PolarHBondContact O-N 3.06Å; L36-E39 VanDerWaalsContact O-N 3.16Å; E39-K231 HydrophobicContact CG-CB 4.24Å; E39-K231 HydrophobicContact CG-CG 4.37Å; E39-K231 CarbonylContact O-C 3.06Å; E39-K232 WeakPolarHBondContact O-CA 3.25Å; E39-K232 WeakPolarHBondContact O-CB 3.45Å; E39-K232 PolarHBondContact O-N 3.05Å; E39-K232 VanDerWaalsContact O-N 3.13Å |
| 40 | V | 96.6 | Very high | 97.2 | Very high | 74 Ų | 74 | 37 Ų | 37 | 45% | 0.448 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -131.9 | -11.2 | -170.8 | -64 | 0 | 0 | 0 | 0 | 114.4 | L36 P44 | L36-V40 HydrophobicContact CD1-CG2 3.63Å; L36-V40 HydrophobicContact CG-CG2 3.96Å; L36-V40 VanDerWaalsContact O-CG2 3.24Å; L36-V40 WeakPolarHBondContact O-CG2 3.23Å; L36-V40 PolarHBondContact O-N 3.45Å; V40-P44 HydrophobicContact CG2-CG 3.86Å |
| 41 | G | 95.4 | Very high | 97.1 | Very high | 7 Ų | 7 | 37.7 Ų | 37.7 | 7% | 0.072 | 20% | 0.198 | C | C | . | . | trans | 77.6 | -171.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | L36 G37 P43 A45 | L36-G41 PolarHBondContact O-N 2.75Å; G37-G41 WeakPolarHBondContact O-CA 3.28Å; G37-G41 PolarHBondContact O-N 2.7Å; G41-P43 CarbonylContact O-C 3.5Å; G41-A45 VanDerWaalsContact O-CB 3.3Å; G41-A45 WeakPolarHBondContact O-CB 3.33Å; G41-A45 PolarHBondContact O-N 3.2Å | ||
| 42 | A | 94 | Very high | 97 | Very high | 34 Ų | 34 | 37.8 Ų | 37.8 | 28% | 0.281 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | 131.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | A45 A48 | A42-A45 WeakPolarHBondContact CA-O 3.47Å; A42-A45 WeakPolarHBondContact CB-O 3.16Å; A42-A48 HydrophobicContact CB-CB 4.15Å |
| 43 | P | 93.9 | Very high | 96.8 | Very high | 99 Ų | 99 | 31.9 Ų | 31.9 | 64% | 0.643 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -66.5 | 162.2 | -18.2 | 30.6 | -34.6 | 0 | 0 | 0 | 112.6 | G41 | G41-P43 CarbonylContact O-C 3.5Š|
| 44 | P | 95.7 | Very high | 96.5 | Very high | 75 Ų | 75 | 31.4 Ų | 31.4 | 49% | 0.487 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -85 | -15.7 | 8.3 | 33.3 | -37.1 | 0 | 0 | 0 | 115.4 | L36 V40 N275 | L36-P44 HydrophobicContact CD1-CG 4.39Å; L36-P44 HydrophobicContact CD2-CG 4.16Å; L36-P44 HydrophobicContact CG-CG 4.38Å; V40-P44 HydrophobicContact CG2-CG 3.86Å; P44-N275 PolarHBondContact O-ND2 2.54Å |
| 45 | A | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -59.9 | 153.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | D33 L36 G41 A42 T47 | D33-A45 WeakPolarHBondContact OD1-CA 3.49Å; L36-A45 HydrophobicContact CB-CB 4.19Å; L36-A45 HydrophobicContact CD2-CB 4.17Å; L36-A45 HydrophobicContact CG-CB 4.03Å; G41-A45 VanDerWaalsContact O-CB 3.3Å; G41-A45 WeakPolarHBondContact O-CB 3.33Å; G41-A45 PolarHBondContact O-N 3.2Å; A42-A45 WeakPolarHBondContact CA-O 3.47Å; A42-A45 WeakPolarHBondContact CB-O 3.16Å; A45-T47 WeakPolarHBondContact CB-O 3.37Å |
| 46 | S | 97.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -73.6 | -46.1 | 167.1 | -78.7 | 0 | 0 | 0 | 0 | 110.4 | D33 E271 R274 N275 E277 | D33-S46 PolarHBondContact OD1-N 2.69Å; D33-S46 WeakPolarHBondContact OD2-CB 3.34Å; D33-S46 PolarHBondContact OD2-N 3.11Å; S46-E271 WeakPolarHBondContact O-CB 3.37Å; S46-R274 WeakPolarHBondContact OG-CG 3.39Å; S46-N275 PolarHBondContact OG-ND2 2.83Å; S46-E277 WeakPolarHBondContact CB-OE1 3.26Å; S46-E277 PolarHBondContact OG-OE1 3.04Å; S46-E277 PolarHBondContact OG-OE2 2.87Å |
| 47 | T | 97.2 | Very high | 95 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -87.9 | 131.8 | -176.9 | 58.6 | 0 | 0 | 0 | 0 | 111.9 | D33 F34 A45 W269 F272 | D33-T47 VanDerWaalsContact OD2-CB 3.28Å; D33-T47 WeakPolarHBondContact OD2-CB 3.29Å; D33-T47 WeakPolarHBondContact OD2-CG2 3.22Å; D33-T47 PolarHBondContact OD2-N 3.35Å; D33-T47 PolarHBondContact OD2-OG1 3.45Å; F34-T47 HydrophobicContact CD1-CG2 4.08Å; F34-T47 WeakPolarHBondContact CD1-OG1 3.34Å; F34-T47 HydrophobicContact CE1-CG2 3.83Å; A45-T47 WeakPolarHBondContact CB-O 3.37Å; T47-W269 HydrophobicContact CG2-CB 4.29Å; T47-F272 HydrophobicContact CG2-CB 3.98Å; T47-F272 HydrophobicContact CG2-CD2 4.38Å |
| 48 | A | 96.1 | Very high | 94.7 | Very high | 7 Ų | 7 | 25.6 Ų | 25.6 | 6% | 0.058 | 16% | 0.156 | C | C | . | . | trans | -81.9 | -23.7 | -170.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | A42 L50 K232 T267 E268 | A42-A48 HydrophobicContact CB-CB 4.15Å; A48-L50 VanDerWaalsContact C-N 3.34Å; A48-L50 HydrophobicContact CB-CD1 4.42Å; A48-L50 HydrophobicContact CB-CD2 3.8Å; A48-L50 HydrophobicContact CB-CG 3.82Å; A48-L50 PolarHBondContact O-N 3.27Å; A48-K232 PolarHBondContact O-NZ 3.47Å; A48-T267 PolarHBondContact N-O 3.5Å; A48-E268 HydrophobicContact CB-CB 3.99Å; A48-E268 HydrophobicContact CB-CG 4.25Å | ||
| 49 | M | 97.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | 49.3 | 49.2 | 178.4 | -56.2 | -61.7 | -77.2 | 0 | 0 | 112.8 | F34 L38 P51 Y223 K232 I265 D266 T267 I407 | F34-M49 HydrophobicContact CB-CE 4Å; F34-M49 HydrophobicContact CB-SD 4.21Å; F34-M49 HydrophobicContact CD1-CE 4.21Å; F34-M49 HydrophobicContact CD1-SD 3.51Å; F34-M49 VanDerWaalsContact CD1-SD 3.51Å; F34-M49 HydrophobicContact CE1-SD 4.18Å; F34-M49 HydrophobicContact CG-CE 4.26Å; F34-M49 HydrophobicContact CG-SD 4.14Å; L38-M49 HydrophobicContact CD1-CE 4.11Å; L38-M49 HydrophobicContact CD2-CB 4.11Å; L38-M49 HydrophobicContact CD2-CE 3.87Å; L38-M49 HydrophobicContact CG-CB 4.35Å; L38-M49 HydrophobicContact CG-CE 3.78Å; L38-M49 HydrophobicContact CG-CG 4.32Å; M49-P51 WeakPolarHBondContact O-CD 3.5Å; M49-Y223 HydrophobicContact CE-CE1 3.6Å; M49-Y223 WeakPolarHBondContact CE-OH 3.05Å; M49-K232 VanDerWaalsContact C-NZ 3.31Å; M49-K232 WeakPolarHBondContact O-CE 3.47Å; M49-K232 PolarHBondContact O-NZ 2.97Å; M49-I265 VanDerWaalsContact C-CG2 3.49Å; M49-I265 HydrophobicContact CB-CG2 3.93Å; M49-I265 HydrophobicContact CE-CG2 3.98Å; M49-I265 HydrophobicContact SD-CG2 4.36Å; M49-D266 CarbonylContact C-O 3.59Å; M49-D266 VanDerWaalsContact C-O 3.27Å; M49-D266 WeakPolarHBondContact CA-O 3.36Å; M49-T267 HydrophobicContact CE-CG2 4.35Å; M49-T267 PolarHBondContact N-O 3.41Å; M49-T267 VanDerWaalsContact N-O 3.11Å; M49-T267 HydrophobicContact SD-CG2 4.07Å; M49-I407 HydrophobicContact CE-CD1 3.79Å | ||
| 50 | L | 97.1 | Very high | 94.1 | Very high | 19 Ų | 19 | 24.1 Ų | 24.1 | 10% | 0.099 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 122.2 | -168.7 | -62.4 | 176.2 | 0 | 0 | 0 | 112.7 | A48 S52 P142 L154 D266 E268 | A48-L50 VanDerWaalsContact C-N 3.34Å; A48-L50 HydrophobicContact CB-CD1 4.42Å; A48-L50 HydrophobicContact CB-CD2 3.8Å; A48-L50 HydrophobicContact CB-CG 3.82Å; A48-L50 PolarHBondContact O-N 3.27Å; L50-S52 PolarHBondContact O-N 2.96Å; L50-P142 HydrophobicContact CD1-CB 4.27Å; L50-L154 HydrophobicContact CD2-CD1 4.26Å; L50-D266 HydrophobicContact CB-CB 4.35Å; L50-D266 PolarHBondContact N-O 2.98Å; L50-D266 PolarHBondContact O-N 2.89Å; L50-E268 HydrophobicContact CD1-CG 3.54Å; L50-E268 HydrophobicContact CG-CG 4.01Å |
| 51 | P | 96.5 | Very high | 93.9 | Very high | 14 Ų | 14 | 23.5 Ų | 23.5 | 9% | 0.091 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.9 | 120.7 | 169.2 | -30.8 | 41.2 | 0 | 0 | 0 | 112.2 | M49 F53 M145 I233 M263 I265 | M49-P51 WeakPolarHBondContact O-CD 3.5Å; P51-F53 HydrophobicContact CB-CD2 4.21Å; P51-F53 HydrophobicContact CB-CE2 3.96Å; P51-M145 VanDerWaalsContact O-CB 3.25Å; P51-M145 WeakPolarHBondContact O-CB 3.46Å; P51-M145 VanDerWaalsContact O-CG 3.22Å; P51-M145 WeakPolarHBondContact O-CG 3.35Å; P51-I233 HydrophobicContact CB-CD1 4.1Å; P51-I233 HydrophobicContact CG-CD1 3.87Å; P51-I233 HydrophobicContact CG-CG2 3.91Å; P51-M263 HydrophobicContact CB-SD 3.46Å; P51-M263 WeakPolarHBondContact CB-SD 3.28Å; P51-M263 HydrophobicContact CG-SD 4.4Å; P51-I265 HydrophobicContact CG-CD1 4.35Å |
| 52 | S | 95.8 | Very high | 93.8 | Very high | 5 Ų | 5 | 23.3 Ų | 23.3 | 4% | 0.035 | 15% | 0.151 | C | C | . | . | trans | -82.1 | -20.4 | -179 | 68.1 | 0 | 0 | 0 | 0 | 114.7 | L50 V54 M145 I264 | L50-S52 PolarHBondContact O-N 2.96Å; S52-V54 PolarHBondContact O-N 3.44Å; S52-V54 VanDerWaalsContact O-N 3.1Å; S52-V54 PolarHBondContact OG-N 3.15Å; S52-V54 VanDerWaalsContact OG-N 3.15Å; S52-M145 WeakPolarHBondContact O-CE 3.09Å; S52-I264 WeakPolarHBondContact CB-O 2.96Å; S52-I264 PolarHBondContact N-O 3.1Å; S52-I264 WeakPolarHBondContact OG-CB 3.32Å; S52-I264 PolarHBondContact OG-O 2.57Å | ||
| 53 | F | 93.7 | Very high | 93.9 | Very high | 21 Ų | 21 | 28 Ų | 28 | 9% | 0.092 | 17% | 0.167 | C | C | . | . | trans | 57.4 | 13.9 | -168.2 | -71.6 | -103.6 | 0 | 0 | 0 | 115.2 | P51 P55 M145 A238 Y240 | P51-F53 HydrophobicContact CB-CD2 4.21Å; P51-F53 HydrophobicContact CB-CE2 3.96Å; F53-P55 WeakPolarHBondContact O-CD 3.31Å; F53-M145 HydrophobicContact CD2-CB 3.54Å; F53-M145 HydrophobicContact CE2-CB 4.08Å; F53-M145 VanDerWaalsContact CE2-O 3.27Å; F53-M145 WeakPolarHBondContact CE2-O 3.46Å; F53-M145 HydrophobicContact CG-CB 4.47Å; F53-A238 HydrophobicContact CE1-CB 3.96Å; F53-A238 HydrophobicContact CZ-CB 4.02Å; F53-Y240 AromaticContact CD1-CD2 3.79Å; F53-Y240 HydrophobicContact CD1-CD2 3.79Å; F53-Y240 HydrophobicContact CD1-CG 4.48Å; F53-Y240 HydrophobicContact CE1-CD2 4.41Å; F53-Y240 HydrophobicContact CG-CD2 4.42Å | ||
| 54 | V | 92.3 | Very high | 94.1 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.006 | 15% | 0.148 | C | C | . | . | trans | -80.1 | 117 | 166 | 178 | 0 | 0 | 0 | 0 | 107.8 | S52 V195 Y240 I264 I463 | S52-V54 PolarHBondContact O-N 3.44Å; S52-V54 VanDerWaalsContact O-N 3.1Å; S52-V54 PolarHBondContact OG-N 3.15Å; S52-V54 VanDerWaalsContact OG-N 3.15Å; V54-V195 HydrophobicContact CB-CG1 4.29Å; V54-V195 HydrophobicContact CG2-CG1 3.83Å; V54-Y240 PolarHBondContact O-OH 3.29Å; V54-Y240 VanDerWaalsContact O-OH 3.11Å; V54-I264 HydrophobicContact CB-CD1 4.02Å; V54-I264 HydrophobicContact CG1-CD1 3.74Å; V54-I463 HydrophobicContact CG1-CD1 3.59Å; V54-I463 HydrophobicContact CG1-CG1 4.32Å; V54-I463 HydrophobicContact CG1-CG2 4.13Å; V54-I463 HydrophobicContact CG2-CG2 4Å | ||
| 55 | P | 83.6 | Confident | 94.2 | Very high | 15 Ų | 15 | 22.6 Ų | 22.6 | 10% | 0.097 | 14% | 0.137 | C | C | . | . | trans | -87.3 | -21 | -168.7 | 33.6 | -35.7 | 0 | 0 | 0 | 115.3 | F53 Y240 F242 M470 L472 | F53-P55 WeakPolarHBondContact O-CD 3.31Å; P55-Y240 VanDerWaalsContact CA-OH 3.3Å; P55-Y240 WeakPolarHBondContact CA-OH 3.41Å; P55-Y240 HydrophobicContact CB-CE2 4.11Å; P55-F242 HydrophobicContact CB-CB 3.67Å; P55-F242 HydrophobicContact CB-CD1 3.85Å; P55-F242 HydrophobicContact CB-CD2 3.39Å; P55-F242 HydrophobicContact CB-CE1 4.34Å; P55-F242 HydrophobicContact CB-CE2 3.91Å; P55-F242 HydrophobicContact CB-CG 3.34Å; P55-F242 HydrophobicContact CB-CZ 4.36Å; P55-F242 HydrophobicContact CG-CD1 4.41Å; P55-F242 HydrophobicContact CG-CD2 4.36Å; P55-F242 HydrophobicContact CG-CE2 4.47Å; P55-F242 HydrophobicContact CG-CG 4.32Å; P55-M470 HydrophobicContact CB-CE 3.96Å; P55-M470 HydrophobicContact CB-SD 4.5Å; P55-M470 HydrophobicContact CG-CE 3.63Å; P55-M470 HydrophobicContact CG-SD 3.69Å; P55-L472 HydrophobicContact CG-CD1 3.64Å | ||
| 56 | A | 87.1 | Confident | 94.2 | Very high | 13 Ų | 13 | 23.2 Ų | 23.2 | 11% | 0.107 | 14% | 0.139 | C | C | . | . | trans | -147.4 | 147.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | V466 M470 | A56-V466 HydrophobicContact CB-CG1 4.14Å; A56-M470 HydrophobicContact CB-SD 3.91Å | ||
| 57 | L | 92.4 | Very high | 94.3 | Very high | 23 Ų | 23 | 23.2 Ų | 23.2 | 12% | 0.12 | 14% | 0.139 | C | C | . | . | trans | -80.2 | 158.1 | 163.9 | -67.3 | 170.7 | 0 | 0 | 0 | 109.5 | L198 T202 L224 I264 | L57-L198 HydrophobicContact CD1-CD1 4.45Å; L57-L198 HydrophobicContact CD1-CG 4.49Å; L57-L198 HydrophobicContact CD2-CD1 4.34Å; L57-L198 HydrophobicContact CD2-CD2 3.96Å; L57-L198 HydrophobicContact CD2-CG 3.65Å; L57-T202 HydrophobicContact CB-CG2 3.93Å; L57-T202 HydrophobicContact CD1-CG2 4.19Å; L57-L224 HydrophobicContact CD1-CD2 4.25Å; L57-I264 HydrophobicContact CD2-CD1 3.47Å; L57-I264 VanDerWaalsContact CD2-CD1 3.47Å; L57-I264 HydrophobicContact CD2-CG1 4.31Å; L57-I264 HydrophobicContact CG-CD1 4.19Å | ||
| 58 | P | 93.1 | Very high | 94.4 | Very high | 11 Ų | 11 | 23.2 Ų | 23.2 | 7% | 0.071 | 14% | 0.139 | C | C | . | . | trans | -62 | 146.5 | 177.5 | 23.9 | -33.6 | 0 | 0 | 0 | 112.9 | E62 A199 H203 I462 V466 | P58-E62 WeakPolarHBondContact CA-OE1 3.38Å; P58-E62 WeakPolarHBondContact CB-OE1 3.45Å; P58-A199 VanDerWaalsContact CG-O 3.25Å; P58-A199 WeakPolarHBondContact CG-O 3.14Å; P58-H203 HydrophobicContact CB-CB 4.25Å; P58-H203 HydrophobicContact CG-CB 3.78Å; P58-I462 HydrophobicContact CB-CG2 3.44Å; P58-I462 VanDerWaalsContact CB-CG2 3.44Å; P58-I462 HydrophobicContact CG-CG2 3.72Å; P58-V466 HydrophobicContact CB-CG2 4.37Å | ||
| 59 | D | 91 | Very high | 94.5 | Very high | 65 Ų | 65 | 22.9 Ų | 22.9 | 35% | 0.348 | 14% | 0.136 | S | C | . | . | trans | -109.4 | 1.2 | 177.4 | 71.3 | 3.7 | 0 | 0 | 0 | 113.1 | T61 E62 H246 K469 | D59-T61 VanDerWaalsContact C-N 3.25Å; D59-T61 VanDerWaalsContact CG-OG1 3.24Å; D59-T61 PolarHBondContact O-N 3.18Å; D59-T61 VanDerWaalsContact OD1-CB 3.31Å; D59-T61 WeakPolarHBondContact OD1-CB 3.23Å; D59-T61 PolarHBondContact OD1-N 3.44Å; D59-T61 PolarHBondContact OD1-OG1 2.9Å; D59-T61 PolarHBondContact OD2-OG1 3.05Å; D59-E62 PolarHBondContact N-OE1 2.84Å; D59-H246 IonicContact OD2-CD2 2.68Å; D59-H246 PolarHBondContact OD2-CD2 3.49Å; D59-H246 IonicContact OD2-NE2 3.34Å; D59-H246 PolarHBondContact OD2-NE2 3.35Å; D59-K469 VanDerWaalsContact CG-NZ 3.29Å; D59-K469 IonicContact OD1-NZ 2.65Å; D59-K469 PolarHBondContact OD1-NZ 2.95Å; D59-K469 IonicContact OD2-NZ 3.85Å; D59-K469 PolarHBondContact OD2-NZ 2.99Å | ||
| 60 | G | 90.9 | Very high | 94.4 | Very high | 23 Ų | 23 | 23 Ų | 23 | 24% | 0.237 | 14% | 0.137 | C | C | . | . | S | Bend | trans | 80.6 | 1.3 | 180 | 0 | 0 | 0 | 0 | 0 | 113.7 | E62 G85 A86 | G60-E62 WeakPolarHBondContact CA-OE2 3.46Å; G60-E62 PolarHBondContact N-OE2 3.4Å; G60-G85 CarbonylContact O-C 3.22Å; G60-G85 VanDerWaalsContact O-C 3.25Å; G60-A86 VanDerWaalsContact O-CA 3.23Å; G60-A86 WeakPolarHBondContact O-CA 3.1Å; G60-A86 PolarHBondContact O-N 3.16Å; G60-A86 VanDerWaalsContact O-N 3.1Å |
| 61 | T | 93 | Very high | 94.3 | Very high | 61 Ų | 61 | 22 Ų | 22 | 37% | 0.374 | 13% | 0.132 | S | C | . | . | trans | -96 | 2.8 | 175.8 | 70.9 | 0 | 0 | 0 | 0 | 112.7 | D59 A86 K469 | D59-T61 VanDerWaalsContact C-N 3.25Å; D59-T61 VanDerWaalsContact CG-OG1 3.24Å; D59-T61 PolarHBondContact O-N 3.18Å; D59-T61 VanDerWaalsContact OD1-CB 3.31Å; D59-T61 WeakPolarHBondContact OD1-CB 3.23Å; D59-T61 PolarHBondContact OD1-N 3.44Å; D59-T61 PolarHBondContact OD1-OG1 2.9Å; D59-T61 PolarHBondContact OD2-OG1 3.05Å; T61-A86 HydrophobicContact CG2-CB 4.43Å; T61-K469 PolarHBondContact OG1-NZ 2.8Å | ||
| 62 | E | 94.2 | Very high | 93.7 | Very high | 4 Ų | 4 | 23 Ų | 23 | 2% | 0.019 | 14% | 0.139 | C | C | . | . | trans | -63.3 | 138.5 | 175.3 | -59.1 | 77.6 | -166.2 | 0 | 0 | 111 | P58 D59 G60 L83 G85 A465 V466 | P58-E62 WeakPolarHBondContact CA-OE1 3.38Å; P58-E62 WeakPolarHBondContact CB-OE1 3.45Å; D59-E62 PolarHBondContact N-OE1 2.84Å; G60-E62 WeakPolarHBondContact CA-OE2 3.46Å; G60-E62 PolarHBondContact N-OE2 3.4Å; E62-L83 HydrophobicContact CB-CD1 3.7Å; E62-L83 WeakPolarHBondContact O-CB 3.4Å; E62-G85 VanDerWaalsContact O-CA 3.28Å; E62-G85 WeakPolarHBondContact O-CA 3.47Å; E62-G85 PolarHBondContact O-N 2.99Å; E62-A465 HydrophobicContact CB-CB 4.04Å; E62-A465 HydrophobicContact CG-CB 4.21Å; E62-V466 HydrophobicContact CG-CG2 3.97Å | ||
| 63 | E | 96.3 | Very high | 93 | Very high | 132 Ų | 132 | 22.8 Ų | 22.8 | 62% | 0.617 | 14% | 0.138 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 145.7 | -176.8 | -74.3 | 178.9 | -177.5 | 0 | 0 | 109.3 | Y66 G85 | E63-Y66 WeakPolarHBondContact O-CE2 3.43Å; E63-Y66 PolarHBondContact O-OH 3.37Å; E63-G85 VanDerWaalsContact CG-CA 3.41Å |
| 64 | G | 97.3 | Very high | 92.6 | Very high | 25 Ų | 25 | 26.8 Ų | 26.8 | 26% | 0.258 | 16% | 0.155 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 124 | -177.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114 | Q82 L83 | G64-Q82 PolarHBondContact O-NE2 3.3Å; G64-Q82 VanDerWaalsContact O-NE2 3.13Å; G64-L83 PolarHBondContact N-O 2.91Å; G64-L83 PolarHBondContact O-N 3.47Å |
| 65 | C | 97.8 | Very high | 92.6 | Very high | 35 Ų | 35 | 30.2 Ų | 30.2 | 24% | 0.236 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 117.7 | -176 | -165.7 | 0 | 0 | 0 | 0 | 109.9 | L80 L81 L133 | C65-L80 VanDerWaalsContact SG-CD1 3.58Å; C65-L81 CarbonylContact C-O 3.57Å; C65-L81 WeakPolarHBondContact CA-O 3.46Å; C65-L133 HydrophobicContact CB-CD2 4.23Å; C65-L133 WeakPolarHBondContact O-CD2 3.37Å |
| 66 | Y | 98.5 | Very high | 93.2 | Very high | 13 Ų | 13 | 29.5 Ų | 29.5 | 5% | 0.051 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 143.4 | -171.6 | -63.7 | -82.1 | 0 | 0 | 0 | 111.1 | E63 L81 L83 A461 A464 A465 E468 | E63-Y66 WeakPolarHBondContact O-CE2 3.43Å; E63-Y66 PolarHBondContact O-OH 3.37Å; Y66-L81 PolarHBondContact N-O 2.83Å; Y66-L81 PolarHBondContact O-N 3.34Å; Y66-L83 HydrophobicContact CD2-CD1 3.87Å; Y66-L83 HydrophobicContact CE2-CD1 4.12Å; Y66-A461 WeakPolarHBondContact CB-O 3.43Å; Y66-A464 HydrophobicContact CD1-CB 4.15Å; Y66-A465 HydrophobicContact CD1-CB 4.18Å; Y66-A465 HydrophobicContact CD2-CB 3.62Å; Y66-A465 HydrophobicContact CE1-CB 3.93Å; Y66-A465 HydrophobicContact CE2-CB 3.3Å; Y66-A465 HydrophobicContact CG-CB 4.05Å; Y66-A465 VanDerWaalsContact CZ-CB 3.49Å; Y66-E468 HydrophobicContact CE1-CB 4.37Å; Y66-E468 PolarHBondContact OH-OE1 3.41Å |
| 67 | L | 98.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 152.5 | 172.1 | -74.8 | 165.6 | 0 | 0 | 0 | 110.4 | L79 L80 L119 F122 L123 L133 S134 L135 G136 V185 | L67-L79 CarbonylContact C-O 3.46Å; L67-L79 WeakPolarHBondContact CA-O 3.11Å; L67-L80 HydrophobicContact CD2-CB 4.17Å; L67-L80 HydrophobicContact CD2-CD1 3.54Å; L67-L80 HydrophobicContact CD2-CG 4.49Å; L67-L80 HydrophobicContact CG-CD1 3.93Å; L67-L119 HydrophobicContact CD1-CD1 4.2Å; L67-L119 HydrophobicContact CD2-CD1 4.31Å; L67-F122 HydrophobicContact CD2-CE1 4.12Å; L67-L123 HydrophobicContact CD1-CD2 3.98Å; L67-L123 HydrophobicContact CD2-CD2 3.95Å; L67-L133 HydrophobicContact CD1-CB 3.64Å; L67-L133 HydrophobicContact CD1-CD1 3.54Å; L67-L133 HydrophobicContact CD1-CG 4.23Å; L67-L133 HydrophobicContact CD2-CD1 4.41Å; L67-L133 HydrophobicContact CG-CB 4.14Å; L67-L133 HydrophobicContact CG-CD1 3.83Å; L67-S134 PolarHBondContact N-O 2.83Å; L67-L135 HydrophobicContact CB-CB 4.4Å; L67-L135 HydrophobicContact CB-CD1 3.64Å; L67-L135 WeakPolarHBondContact O-CA 3.4Å; L67-G136 PolarHBondContact O-N 2.86Å; L67-V185 HydrophobicContact CD1-CB 4.5Å; L67-V185 HydrophobicContact CD1-CG1 4.04Å; L67-V185 HydrophobicContact CD1-CG2 3.56Å |
| 68 | S | 98.6 | Very high | 94 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 151.1 | 156.7 | 74.4 | 0 | 0 | 0 | 0 | 112 | V78 L79 G136 A457 | S68-V78 WeakPolarHBondContact O-CA 3.22Å; S68-L79 PolarHBondContact N-O 2.85Å; S68-L79 PolarHBondContact O-N 3.01Å; S68-L79 WeakPolarHBondContact OG-CB 3.42Å; S68-G136 CarbonylContact C-O 3.23Å; S68-G136 WeakPolarHBondContact CA-O 3.45Å; S68-G136 WeakPolarHBondContact CB-O 3.4Å; S68-A457 WeakPolarHBondContact CB-O 3.43Å; S68-A457 PolarHBondContact OG-O 3.15Å |
| 69 | M | 98.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 129.1 | 166.8 | -73.5 | 179 | 75.1 | 0 | 0 | 107.7 | L76 R77 V78 M115 L119 L135 G136 F137 V138 | M69-L76 HydrophobicContact CE-CD1 4.03Å; M69-L76 HydrophobicContact CE-CD2 4.23Å; M69-R77 CarbonylContact C-O 3.57Å; M69-R77 WeakPolarHBondContact CA-O 3.46Å; M69-V78 HydrophobicContact CG-CG1 4.48Å; M69-V78 HydrophobicContact CG-CG2 4.35Å; M69-M115 HydrophobicContact CE-CB 3.65Å; M69-M115 HydrophobicContact CE-CE 3.93Å; M69-M115 HydrophobicContact CE-CG 4.48Å; M69-M115 WeakPolarHBondContact CE-O 3.31Å; M69-L119 HydrophobicContact CE-CB 4.23Å; M69-L119 HydrophobicContact SD-CB 4.07Å; M69-L119 HydrophobicContact SD-CD1 4.39Å; M69-L119 HydrophobicContact SD-CD2 3.85Å; M69-L119 HydrophobicContact SD-CG 4.31Å; M69-L135 HydrophobicContact CB-CD1 4.09Å; M69-L135 HydrophobicContact CG-CD1 3.75Å; M69-L135 HydrophobicContact CG-CD2 4.34Å; M69-L135 HydrophobicContact SD-CD1 4.32Å; M69-L135 HydrophobicContact SD-CD2 3.91Å; M69-G136 PolarHBondContact N-O 2.84Å; M69-F137 HydrophobicContact CB-CD2 4.25Å; M69-F137 WeakPolarHBondContact O-CD2 3.42Å; M69-V138 PolarHBondContact O-N 3.13Å |
| 70 | D | 97.2 | Very high | 94.6 | Very high | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.011 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 108.8 | -175.8 | 177.1 | -15 | 0 | 0 | 0 | 110.1 | S72 L76 R77 V138 S456 A457 | D70-S72 WeakPolarHBondContact OD1-CB 3.47Å; D70-S72 PolarHBondContact OD1-OG 3.45Å; D70-L76 CarbonylContact O-C 3.52Å; D70-L76 WeakPolarHBondContact O-CA 3.15Å; D70-R77 HydrophobicContact CB-CB 4.25Å; D70-R77 PolarHBondContact N-O 2.93Å; D70-R77 PolarHBondContact O-N 2.84Å; D70-V138 HydrophobicContact CB-CB 3.84Å; D70-V138 HydrophobicContact CB-CG1 4.4Å; D70-V138 HydrophobicContact CB-CG2 4.21Å; D70-S456 WeakPolarHBondContact OD2-CB 3.38Å; D70-S456 PolarHBondContact OD2-OG 3.25Å; D70-A457 HydrophobicContact CB-CB 3.94Å; D70-A457 PolarHBondContact OD2-N 3Å |
| 71 | L | 94.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 90.6 | 176.7 | -176.3 | 65.5 | 0 | 0 | 0 | 109.3 | L76 V99 L111 M115 V138 F139 S140 Y141 F160 | L71-L76 HydrophobicContact CB-CD1 4.49Å; L71-L76 HydrophobicContact CD1-CB 4.47Å; L71-V99 HydrophobicContact CD1-CG2 3.8Å; L71-L111 HydrophobicContact CD2-CD1 4.19Å; L71-L111 HydrophobicContact CD2-CD2 4.22Å; L71-M115 HydrophobicContact CD2-SD 4.08Å; L71-V138 PolarHBondContact N-O 3.11Å; L71-F139 HydrophobicContact CD2-CD2 4.13Å; L71-F139 HydrophobicContact CD2-CE2 3.89Å; L71-S140 PolarHBondContact O-OG 3.38Å; L71-Y141 HydrophobicContact CD2-CE2 4.01Å; L71-Y141 HydrophobicContact CG-CE2 4.17Å; L71-F160 HydrophobicContact CD1-CE1 4.48Å; L71-F160 HydrophobicContact CD1-CZ 4.16Å; L71-F160 HydrophobicContact CD2-CE1 4.31Å |
| 72 | S | 83.4 | Confident | 95.2 | Very high | 35 Ų | 35 | 28.7 Ų | 28.7 | 25% | 0.245 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 94.9 | -177.8 | -80.5 | 0 | 0 | 0 | 0 | 111.1 | D70 K74 N75 S140 | D70-S72 WeakPolarHBondContact OD1-CB 3.47Å; D70-S72 PolarHBondContact OD1-OG 3.45Å; S72-K74 PolarHBondContact O-N 2.7Å; S72-N75 PolarHBondContact N-O 2.64Å; S72-N75 PolarHBondContact O-N 3.25Å; S72-S140 PolarHBondContact OG-OG 3.27Å |
| 73 | G | 81.3 | Confident | 95.3 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | -130.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | N75 F160 | G73-N75 PolarHBondContact O-N 3.13Å; G73-F160 WeakPolarHBondContact O-CE2 3.43Å; G73-F160 VanDerWaalsContact O-CZ 3.22Å; G73-F160 WeakPolarHBondContact O-CZ 3.46Å |
| 74 | K | 85.8 | Confident | 95.3 | Very high | 104 Ų | 104 | 28.4 Ų | 28.4 | 45% | 0.452 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | 0.1 | -177.9 | -58.5 | -178.3 | -175 | 172.1 | 0 | 114.2 | S72 L98 V99 M104 | S72-K74 PolarHBondContact O-N 2.7Å; K74-L98 WeakPolarHBondContact O-CA 3.35Å; K74-V99 PolarHBondContact O-N 3.38Å; K74-M104 HydrophobicContact CG-CE 3.97Å; K74-M104 HydrophobicContact CG-SD 4Å |
| 75 | N | 91.8 | Very high | 95.1 | Very high | 73 Ų | 73 | 27.4 Ų | 27.4 | 39% | 0.39 | 13% | 0.129 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 127.6 | -176.4 | -65.7 | -55.3 | 0 | 0 | 0 | 110.2 | S72 G73 Y97 L98 | S72-N75 PolarHBondContact N-O 2.64Å; S72-N75 PolarHBondContact O-N 3.25Å; G73-N75 PolarHBondContact O-N 3.13Å; N75-Y97 WeakPolarHBondContact CA-O 3.49Å; N75-L98 WeakPolarHBondContact OD1-CD2 3.22Å |
| 76 | L | 96.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 113.9 | 162.3 | 173.5 | 68.7 | 0 | 0 | 0 | 108.2 | M69 D70 L71 V78 Y97 V99 F114 M115 C118 | M69-L76 HydrophobicContact CE-CD1 4.03Å; M69-L76 HydrophobicContact CE-CD2 4.23Å; D70-L76 CarbonylContact O-C 3.52Å; D70-L76 WeakPolarHBondContact O-CA 3.15Å; L71-L76 HydrophobicContact CB-CD1 4.49Å; L71-L76 HydrophobicContact CD1-CB 4.47Å; L76-V78 HydrophobicContact CG-CG2 4.47Å; L76-Y97 PolarHBondContact N-O 3.39Å; L76-Y97 PolarHBondContact O-N 2.8Å; L76-V99 HydrophobicContact CB-CG2 4.1Å; L76-F114 HydrophobicContact CD2-CE1 4.32Å; L76-M115 HydrophobicContact CD1-CE 4.09Å; L76-M115 HydrophobicContact CD1-CG 4.2Å; L76-M115 HydrophobicContact CD2-CB 4.05Å; L76-M115 HydrophobicContact CD2-CG 3.9Å; L76-C118 HydrophobicContact CD2-CB 3.71Å |
| 77 | R | 97.3 | Very high | 94.2 | Very high | 80 Ų | 80 | 32.5 Ų | 32.5 | 30% | 0.302 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 130.7 | 172.5 | -173.7 | -179.5 | -59.3 | 159 | 4.5 | 109.6 | M69 D70 T94 N96 A457 | M69-R77 CarbonylContact C-O 3.57Å; M69-R77 WeakPolarHBondContact CA-O 3.46Å; D70-R77 HydrophobicContact CB-CB 4.25Å; D70-R77 PolarHBondContact N-O 2.93Å; D70-R77 PolarHBondContact O-N 2.84Å; R77-T94 VanDerWaalsContact CG-OG1 3.27Å; R77-T94 WeakPolarHBondContact CG-OG1 3.43Å; R77-N96 WeakPolarHBondContact CB-OD1 3.3Å; R77-N96 VanDerWaalsContact CG-OD1 3.31Å; R77-N96 WeakPolarHBondContact CG-OD1 3.31Å; R77-N96 PolarHBondContact NE-OD1 3.5Å; R77-N96 VanDerWaalsContact NE-OD1 3.07Å; R77-A457 HydrophobicContact CG-CB 4.22Å |
| 78 | V | 98.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 134.2 | 168.7 | -171.5 | 0 | 0 | 0 | 0 | 107.6 | S68 M69 L76 T94 T95 Y97 L119 F122 | S68-V78 WeakPolarHBondContact O-CA 3.22Å; M69-V78 HydrophobicContact CG-CG1 4.48Å; M69-V78 HydrophobicContact CG-CG2 4.35Å; L76-V78 HydrophobicContact CG-CG2 4.47Å; V78-T94 CarbonylContact O-C 3.51Å; V78-T94 WeakPolarHBondContact O-CA 3.49Å; V78-T94 PolarHBondContact O-OG1 2.91Å; V78-T95 PolarHBondContact N-O 2.87Å; V78-T95 PolarHBondContact O-N 2.92Å; V78-Y97 HydrophobicContact CB-CE2 4.44Å; V78-Y97 HydrophobicContact CG2-CD2 4.14Å; V78-Y97 HydrophobicContact CG2-CE2 3.92Å; V78-L119 HydrophobicContact CG1-CD1 3.65Å; V78-F122 HydrophobicContact CB-CB 4.46Å; V78-F122 HydrophobicContact CB-CD1 4.23Å; V78-F122 HydrophobicContact CB-CD2 4.35Å; V78-F122 HydrophobicContact CB-CG 4.1Å; V78-F122 HydrophobicContact CG1-CB 4.18Å; V78-F122 HydrophobicContact CG1-CD1 3.38Å; V78-F122 HydrophobicContact CG1-CD2 4.35Å; V78-F122 HydrophobicContact CG1-CE1 3.7Å; V78-F122 HydrophobicContact CG1-CG 3.72Å; V78-F122 HydrophobicContact CG1-CZ 4.31Å |
| 79 | L | 98.4 | Very high | 93.6 | Very high | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.016 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 138.9 | 179.7 | 177.7 | 154.7 | 0 | 0 | 0 | 109.8 | L67 S68 L81 Y92 V93 A457 F458 A461 | L67-L79 CarbonylContact C-O 3.46Å; L67-L79 WeakPolarHBondContact CA-O 3.11Å; S68-L79 PolarHBondContact N-O 2.85Å; S68-L79 PolarHBondContact O-N 3.01Å; S68-L79 WeakPolarHBondContact OG-CB 3.42Å; L79-L81 HydrophobicContact CD2-CB 3.68Å; L79-Y92 HydrophobicContact CD1-CD2 3.72Å; L79-Y92 HydrophobicContact CD1-CE2 4.34Å; L79-Y92 HydrophobicContact CD1-CG 4.25Å; L79-Y92 HydrophobicContact CG-CD2 4.23Å; L79-V93 WeakPolarHBondContact CA-O 3.27Å; L79-A457 HydrophobicContact CB-CB 4.34Å; L79-A457 HydrophobicContact CD1-CB 4.31Å; L79-F458 HydrophobicContact CD1-CB 4.34Å; L79-A461 HydrophobicContact CD2-CB 4.22Å |
| 80 | L | 98.5 | Very high | 93.5 | Very high | 20 Ų | 20 | 43.3 Ų | 43.3 | 11% | 0.105 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 118.4 | 169.1 | -175.7 | 74.5 | 0 | 0 | 0 | 107.5 | C65 L67 Y92 V93 F122 M128 L133 | C65-L80 VanDerWaalsContact SG-CD1 3.58Å; L67-L80 HydrophobicContact CD2-CB 4.17Å; L67-L80 HydrophobicContact CD2-CD1 3.54Å; L67-L80 HydrophobicContact CD2-CG 4.49Å; L67-L80 HydrophobicContact CG-CD1 3.93Å; L80-Y92 WeakPolarHBondContact O-CA 3.31Å; L80-Y92 WeakPolarHBondContact O-CB 3.35Å; L80-V93 HydrophobicContact CB-CG2 3.75Å; L80-V93 HydrophobicContact CD2-CG2 4.17Å; L80-V93 PolarHBondContact N-O 3.08Å; L80-V93 PolarHBondContact O-N 3.3Å; L80-F122 HydrophobicContact CB-CE1 3.89Å; L80-F122 HydrophobicContact CB-CZ 4Å; L80-M128 HydrophobicContact CD1-CE 4.38Å; L80-M128 HydrophobicContact CD2-CE 4.37Å; L80-M128 HydrophobicContact CD2-CG 3.85Å; L80-L133 HydrophobicContact CD1-CD1 4.07Å; L80-L133 HydrophobicContact CD1-CD2 4.48Å |
| 81 | L | 98.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 128.9 | -177.7 | -174.5 | 59.5 | 0 | 0 | 0 | 110 | C65 Y66 L79 L83 P90 F458 A461 I462 | C65-L81 CarbonylContact C-O 3.57Å; C65-L81 WeakPolarHBondContact CA-O 3.46Å; Y66-L81 PolarHBondContact N-O 2.83Å; Y66-L81 PolarHBondContact O-N 3.34Å; L79-L81 HydrophobicContact CD2-CB 3.68Å; L81-L83 HydrophobicContact CD2-CD1 4.29Å; L81-L83 HydrophobicContact CD2-CD2 3.72Å; L81-L83 HydrophobicContact CD2-CG 3.91Å; L81-L83 HydrophobicContact CG-CD2 4.03Å; L81-L83 HydrophobicContact CG-CG 4.01Å; L81-P90 HydrophobicContact CD1-CB 3.91Å; L81-F458 HydrophobicContact CD1-CD2 3.64Å; L81-F458 HydrophobicContact CD1-CE2 3.29Å; L81-F458 HydrophobicContact CD1-CZ 4.03Å; L81-F458 HydrophobicContact CD2-CD2 4.3Å; L81-F458 HydrophobicContact CD2-CE2 4.29Å; L81-F458 HydrophobicContact CG-CE2 4.45Å; L81-A461 HydrophobicContact CB-CB 3.7Å; L81-A461 HydrophobicContact CD2-CB 3.66Å; L81-A461 HydrophobicContact CG-CB 4.34Å; L81-I462 HydrophobicContact CD2-CD1 4.46Å; L81-I462 HydrophobicContact CD2-CG1 3.7Å |
| 82 | Q | 98 | Very high | 93.5 | Very high | 77 Ų | 77 | 52.2 Ų | 52.2 | 36% | 0.36 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 103.1 | 168.6 | -178.5 | 62.2 | 65.9 | 0 | 0 | 109.2 | G64 P90 D91 | G64-Q82 PolarHBondContact O-NE2 3.3Å; G64-Q82 VanDerWaalsContact O-NE2 3.13Å; Q82-P90 VanDerWaalsContact O-CA 3.26Å; Q82-P90 WeakPolarHBondContact O-CA 3.5Å; Q82-P90 WeakPolarHBondContact O-CB 3.43Å; Q82-D91 HydrophobicContact CB-CB 4.45Å; Q82-D91 PolarHBondContact N-O 3.36Å; Q82-D91 PolarHBondContact O-N 3.21Å; Q82-D91 VanDerWaalsContact O-N 3.11Å |
| 83 | L | 97.4 | Very high | 94.2 | Very high | 3 Ų | 3 | 53.5 Ų | 53.5 | 2% | 0.016 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 141 | 172.2 | -64.2 | 169.6 | 0 | 0 | 0 | 109.8 | E62 G64 Y66 L81 P90 I462 A465 | E62-L83 HydrophobicContact CB-CD1 3.7Å; E62-L83 WeakPolarHBondContact O-CB 3.4Å; G64-L83 PolarHBondContact N-O 2.91Å; G64-L83 PolarHBondContact O-N 3.47Å; Y66-L83 HydrophobicContact CD2-CD1 3.87Å; Y66-L83 HydrophobicContact CE2-CD1 4.12Å; L81-L83 HydrophobicContact CD2-CD1 4.29Å; L81-L83 HydrophobicContact CD2-CD2 3.72Å; L81-L83 HydrophobicContact CD2-CG 3.91Å; L81-L83 HydrophobicContact CG-CD2 4.03Å; L81-L83 HydrophobicContact CG-CG 4.01Å; L83-P90 HydrophobicContact CD2-CB 4.07Å; L83-I462 HydrophobicContact CD1-CG1 4.4Å; L83-I462 HydrophobicContact CD2-CG1 4.15Å; L83-A465 HydrophobicContact CD1-CB 3.58Å |
| 84 | R | 96 | Very high | 95 | Very high | 126 Ų | 126 | 56.2 Ų | 56.2 | 48% | 0.475 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 11 | -173.9 | -69 | -172.8 | 169.4 | 155.8 | 1 | 113.6 | H88 D91 | R84-H88 HydrophobicContact CB-CB 3.41Å; R84-H88 VanDerWaalsContact CB-CB 3.41Å; R84-H88 PolarHBondContact O-ND1 2.97Å; R84-D91 IonicContact CZ-OD2 3.91Å; R84-D91 IonicContact NE-OD2 2.81Å; R84-D91 IonicContact NH1-OD2 2.83Å; R84-D91 PolarHBondContact NH1-OD2 3.33Å; R84-D91 VanDerWaalsContact NH1-OD2 3.12Å; R84-D91 IonicContact NH2-OD2 3.48Å; R84-D91 PolarHBondContact NH2-OD2 3.15Å |
| 85 | G | 93.1 | Very high | 95.6 | Very high | 5 Ų | 5 | 53.3 Ų | 53.3 | 5% | 0.052 | 31% | 0.305 | C | S | . | . | trans | 72.1 | -171.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | G60 E62 E63 G87 H88 | G60-G85 CarbonylContact O-C 3.22Å; G60-G85 VanDerWaalsContact O-C 3.25Å; E62-G85 VanDerWaalsContact O-CA 3.28Å; E62-G85 WeakPolarHBondContact O-CA 3.47Å; E62-G85 PolarHBondContact O-N 2.99Å; E63-G85 VanDerWaalsContact CG-CA 3.41Å; G85-G87 PolarHBondContact O-N 3.4Å; G85-H88 PolarHBondContact O-N 3.06Å | ||
| 86 | A | 89.7 | Confident | 95.8 | Very high | 65 Ų | 65 | 54 Ų | 54 | 54% | 0.537 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 128.8 | -167.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | G60 T61 H88 | G60-A86 VanDerWaalsContact O-CA 3.23Å; G60-A86 WeakPolarHBondContact O-CA 3.1Å; G60-A86 PolarHBondContact O-N 3.16Å; G60-A86 VanDerWaalsContact O-N 3.1Å; T61-A86 HydrophobicContact CG2-CB 4.43Å; A86-H88 VanDerWaalsContact C-N 3.27Å; A86-H88 PolarHBondContact O-N 2.89Å; A86-H88 PolarHBondContact O-ND1 3.35Å |
| 87 | G | 87.1 | Confident | 95.9 | Very high | 89 Ų | 89 | 55.3 Ų | 55.3 | 92% | 0.918 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.5 | 2.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | G85 | G85-G87 PolarHBondContact O-N 3.4Š|
| 88 | H | 92.9 | Very high | 95.8 | Very high | 123 Ų | 123 | 57.8 Ų | 57.8 | 57% | 0.569 | 33% | 0.332 | S | S | * | . | trans | -111.1 | 127.9 | 177.7 | -60.7 | 99.9 | 0 | 0 | 0 | 111.2 | R84 G85 A86 | R84-H88 HydrophobicContact CB-CB 3.41Å; R84-H88 VanDerWaalsContact CB-CB 3.41Å; R84-H88 PolarHBondContact O-ND1 2.97Å; G85-H88 PolarHBondContact O-N 3.06Å; A86-H88 VanDerWaalsContact C-N 3.27Å; A86-H88 PolarHBondContact O-N 2.89Å; A86-H88 PolarHBondContact O-ND1 3.35Å | ||
| 89 | A | 92.2 | Very high | 95.6 | Very high | 76 Ų | 76 | 58.2 Ų | 58.2 | 63% | 0.628 | 34% | 0.335 | S | S | * | . | trans | -63.2 | 134.1 | 175 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 90 | P | 95.1 | Very high | 95.4 | Very high | 28 Ų | 28 | 60.4 Ų | 60.4 | 18% | 0.182 | 35% | 0.349 | C | S | . | . | trans | -75.5 | 155.8 | 174.7 | 30.8 | -32.4 | 0 | 0 | 0 | 111.4 | L81 Q82 L83 F458 | L81-P90 HydrophobicContact CD1-CB 3.91Å; Q82-P90 VanDerWaalsContact O-CA 3.26Å; Q82-P90 WeakPolarHBondContact O-CA 3.5Å; Q82-P90 WeakPolarHBondContact O-CB 3.43Å; L83-P90 HydrophobicContact CD2-CB 4.07Å; P90-F458 HydrophobicContact CB-CZ 4.42Å; P90-F458 HydrophobicContact CG-CE2 3.99Å; P90-F458 HydrophobicContact CG-CZ 3.57Å | ||
| 91 | D | 96 | Very high | 95 | Very high | 81 Ų | 81 | 66.5 Ų | 66.5 | 43% | 0.433 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 148 | 171.3 | -69.9 | -45.3 | 0 | 0 | 0 | 109.5 | Q82 R84 | Q82-D91 HydrophobicContact CB-CB 4.45Å; Q82-D91 PolarHBondContact N-O 3.36Å; Q82-D91 PolarHBondContact O-N 3.21Å; Q82-D91 VanDerWaalsContact O-N 3.11Å; R84-D91 IonicContact CZ-OD2 3.91Å; R84-D91 IonicContact NE-OD2 2.81Å; R84-D91 IonicContact NH1-OD2 2.83Å; R84-D91 PolarHBondContact NH1-OD2 3.33Å; R84-D91 VanDerWaalsContact NH1-OD2 3.12Å; R84-D91 IonicContact NH2-OD2 3.48Å; R84-D91 PolarHBondContact NH2-OD2 3.15Å |
| 92 | Y | 97.3 | Very high | 94.8 | Very high | 108 Ų | 108 | 73 Ų | 73 | 42% | 0.424 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 155.2 | 174.7 | 67 | -83.8 | 0 | 0 | 0 | 113.2 | L79 L80 T94 F458 | L79-Y92 HydrophobicContact CD1-CD2 3.72Å; L79-Y92 HydrophobicContact CD1-CE2 4.34Å; L79-Y92 HydrophobicContact CD1-CG 4.25Å; L79-Y92 HydrophobicContact CG-CD2 4.23Å; L80-Y92 WeakPolarHBondContact O-CA 3.31Å; L80-Y92 WeakPolarHBondContact O-CB 3.35Å; Y92-T94 HydrophobicContact CD2-CG2 4.49Å; Y92-T94 HydrophobicContact CE2-CG2 4.33Å; Y92-F458 HydrophobicContact CD1-CD2 4.17Å; Y92-F458 HydrophobicContact CD1-CE2 4.03Å; Y92-F458 HydrophobicContact CE1-CE2 4.44Å; Y92-F458 HydrophobicContact CG-CD2 4.49Å |
| 93 | V | 97.9 | Very high | 94.6 | Very high | 62 Ų | 62 | 70.2 Ų | 70.2 | 38% | 0.376 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 140.5 | 169.2 | -71 | 0 | 0 | 0 | 0 | 108.4 | L79 L80 F122 N126 | L79-V93 WeakPolarHBondContact CA-O 3.27Å; L80-V93 HydrophobicContact CB-CG2 3.75Å; L80-V93 HydrophobicContact CD2-CG2 4.17Å; L80-V93 PolarHBondContact N-O 3.08Å; L80-V93 PolarHBondContact O-N 3.3Å; V93-F122 HydrophobicContact CG2-CZ 4.01Å; V93-F122 WeakPolarHBondContact O-CZ 3.39Å; V93-N126 WeakPolarHBondContact CG2-OD1 3.34Å |
| 94 | T | 97.4 | Very high | 94.3 | Very high | 57 Ų | 57 | 70.6 Ų | 70.6 | 35% | 0.35 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 152.1 | -176.9 | -171.7 | 0 | 0 | 0 | 0 | 112 | R77 V78 Y92 | R77-T94 VanDerWaalsContact CG-OG1 3.27Å; R77-T94 WeakPolarHBondContact CG-OG1 3.43Å; V78-T94 CarbonylContact O-C 3.51Å; V78-T94 WeakPolarHBondContact O-CA 3.49Å; V78-T94 PolarHBondContact O-OG1 2.91Å; Y92-T94 HydrophobicContact CD2-CG2 4.49Å; Y92-T94 HydrophobicContact CE2-CG2 4.33Å |
| 95 | T | 98 | Very high | 94.1 | Very high | 43 Ų | 43 | 68.9 Ų | 68.9 | 26% | 0.264 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 135.6 | 173.6 | -60 | 0 | 0 | 0 | 0 | 109.4 | V78 Y97 F122 | V78-T95 PolarHBondContact N-O 2.87Å; V78-T95 PolarHBondContact O-N 2.92Å; T95-Y97 HydrophobicContact CG2-CD2 4.24Å; T95-Y97 HydrophobicContact CG2-CE1 4.15Å; T95-Y97 HydrophobicContact CG2-CE2 3.59Å; T95-F122 WeakPolarHBondContact OG1-CD2 3.37Å |
| 96 | N | 96.5 | Very high | 94.2 | Very high | 89 Ų | 89 | 69 Ų | 69 | 48% | 0.476 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 136.3 | 174.7 | -62.8 | -67.5 | 0 | 0 | 0 | 109.8 | R77 | R77-N96 WeakPolarHBondContact CB-OD1 3.3Å; R77-N96 VanDerWaalsContact CG-OD1 3.31Å; R77-N96 WeakPolarHBondContact CG-OD1 3.31Å; R77-N96 PolarHBondContact NE-OD1 3.5Å; R77-N96 VanDerWaalsContact NE-OD1 3.07Å |
| 97 | Y | 97.5 | Very high | 94.6 | Very high | 26 Ų | 26 | 68 Ų | 68 | 10% | 0.102 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 136.2 | 176.1 | -61.3 | -88.5 | 0 | 0 | 0 | 109 | N75 L76 V78 T95 C118 K121 | N75-Y97 WeakPolarHBondContact CA-O 3.49Å; L76-Y97 PolarHBondContact N-O 3.39Å; L76-Y97 PolarHBondContact O-N 2.8Å; V78-Y97 HydrophobicContact CB-CE2 4.44Å; V78-Y97 HydrophobicContact CG2-CD2 4.14Å; V78-Y97 HydrophobicContact CG2-CE2 3.92Å; T95-Y97 HydrophobicContact CG2-CD2 4.24Å; T95-Y97 HydrophobicContact CG2-CE1 4.15Å; T95-Y97 HydrophobicContact CG2-CE2 3.59Å; Y97-C118 HydrophobicContact CD1-CB 3.98Å; Y97-C118 HydrophobicContact CD2-CB 3.72Å; Y97-C118 HydrophobicContact CE1-CB 4.14Å; Y97-C118 HydrophobicContact CE2-CB 3.88Å; Y97-C118 HydrophobicContact CG-CB 3.77Å; Y97-C118 PolarHBondContact OH-O 3.05Å; Y97-K121 HydrophobicContact CE1-CD 4.17Å |
| 98 | L | 95.4 | Very high | 95 | Very high | 132 Ų | 132 | 63.8 Ų | 63.8 | 69% | 0.691 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 126.1 | 171.8 | -70.7 | 172 | 0 | 0 | 0 | 109.4 | K74 N75 P100 F114 | K74-L98 WeakPolarHBondContact O-CA 3.35Å; N75-L98 WeakPolarHBondContact OD1-CD2 3.22Å; L98-P100 WeakPolarHBondContact O-CD 3.26Å; L98-F114 WeakPolarHBondContact O-CZ 3.37Å |
| 99 | V | 94.3 | Very high | 95.2 | Very high | 9 Ų | 9 | 61.3 Ų | 61.3 | 6% | 0.055 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -77.5 | 119.6 | 174.6 | -172.5 | 0 | 0 | 0 | 0 | 108.3 | L71 K74 L76 V103 M104 F114 F160 | L71-V99 HydrophobicContact CD1-CG2 3.8Å; K74-V99 PolarHBondContact O-N 3.38Å; L76-V99 HydrophobicContact CB-CG2 4.1Å; V99-V103 HydrophobicContact CG1-CB 4.11Å; V99-V103 HydrophobicContact CG1-CG1 4.01Å; V99-M104 HydrophobicContact CB-CG 4.37Å; V99-M104 HydrophobicContact CG1-CG 3.8Å; V99-F114 HydrophobicContact CB-CE1 4.31Å; V99-F114 HydrophobicContact CG1-CD1 4.45Å; V99-F114 HydrophobicContact CG1-CE1 4.28Å; V99-F114 HydrophobicContact CG2-CE1 4.05Å; V99-F160 HydrophobicContact CG1-CZ 4.4Å |
| 100 | P | 94.4 | Very high | 95.5 | Very high | 49 Ų | 49 | 62.5 Ų | 62.5 | 32% | 0.318 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 147.9 | 177.5 | -21.4 | 32.6 | 0 | 0 | 0 | 111.8 | L98 E102 V103 M104 F114 | L98-P100 WeakPolarHBondContact O-CD 3.26Å; P100-E102 VanDerWaalsContact CB-OE2 3.3Å; P100-E102 WeakPolarHBondContact CB-OE2 3.38Å; P100-E102 PolarHBondContact O-N 2.9Å; P100-V103 HydrophobicContact CB-CG2 4.14Å; P100-V103 HydrophobicContact CG-CG2 4.15Å; P100-V103 WeakPolarHBondContact O-CB 3.23Å; P100-V103 PolarHBondContact O-N 2.9Å; P100-M104 PolarHBondContact O-N 3.44Å; P100-F114 HydrophobicContact CG-CE2 4.01Å; P100-F114 HydrophobicContact CG-CZ 4.45Å |
| 101 | K | 90.7 | Very high | 95.6 | Very high | 149 Ų | 149 | 61.2 Ų | 61.2 | 65% | 0.648 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -60.6 | -36.1 | -177.1 | -172.9 | 177.7 | -179.8 | -179.8 | 0 | 111.8 | V103 M104 I105 | K101-V103 PolarHBondContact O-N 3.08Å; K101-M104 WeakPolarHBondContact O-CB 3.33Å; K101-M104 PolarHBondContact O-N 3.23Å; K101-M104 VanDerWaalsContact O-N 3.17Å; K101-I105 WeakPolarHBondContact O-CG1 3.37Å; K101-I105 PolarHBondContact O-N 2.87Å |
| 102 | E | 93.7 | Very high | 95.7 | Very high | 135 Ų | 135 | 57.4 Ų | 57.4 | 63% | 0.631 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -64.2 | -29.7 | 179.3 | -54.6 | 71.4 | -153.5 | 0 | 0 | 111.6 | P100 G106 | P100-E102 VanDerWaalsContact CB-OE2 3.3Å; P100-E102 WeakPolarHBondContact CB-OE2 3.38Å; P100-E102 PolarHBondContact O-N 2.9Å; E102-G106 PolarHBondContact O-N 3.19Å |
| 103 | V | 95.2 | Very high | 95.8 | Very high | 20 Ų | 20 | 54.5 Ų | 54.5 | 12% | 0.121 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -78 | -36.1 | 175.6 | 178.4 | 0 | 0 | 0 | 0 | 110.9 | V99 P100 K101 I105 G106 L111 F114 | V99-V103 HydrophobicContact CG1-CB 4.11Å; V99-V103 HydrophobicContact CG1-CG1 4.01Å; P100-V103 HydrophobicContact CB-CG2 4.14Å; P100-V103 HydrophobicContact CG-CG2 4.15Å; P100-V103 WeakPolarHBondContact O-CB 3.23Å; P100-V103 PolarHBondContact O-N 2.9Å; K101-V103 PolarHBondContact O-N 3.08Å; V103-I105 PolarHBondContact O-N 3.02Å; V103-G106 PolarHBondContact O-N 3.49Å; V103-L111 HydrophobicContact CG1-CB 4.16Å; V103-L111 HydrophobicContact CG1-CD1 3.9Å; V103-F114 HydrophobicContact CG1-CB 4.09Å; V103-F114 HydrophobicContact CG1-CD1 4.45Å; V103-F114 HydrophobicContact CG1-CG 4.31Å; V103-F114 HydrophobicContact CG2-CB 4.44Å; V103-F114 HydrophobicContact CG2-CG 4.45Å |
| 104 | M | 90.7 | Very high | 95.8 | Very high | 11 Ų | 11 | 53.7 Ų | 53.7 | 5% | 0.054 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.8 | -21.1 | 179.6 | -61.5 | 170.8 | 61.7 | 0 | 0 | 114.1 | K74 V99 P100 K101 F160 N161 | K74-M104 HydrophobicContact CG-CE 3.97Å; K74-M104 HydrophobicContact CG-SD 4Å; V99-M104 HydrophobicContact CB-CG 4.37Å; V99-M104 HydrophobicContact CG1-CG 3.8Å; P100-M104 PolarHBondContact O-N 3.44Å; K101-M104 WeakPolarHBondContact O-CB 3.33Å; K101-M104 PolarHBondContact O-N 3.23Å; K101-M104 VanDerWaalsContact O-N 3.17Å; M104-F160 HydrophobicContact CB-CD1 4.2Å; M104-F160 HydrophobicContact CB-CE1 4.19Å; M104-F160 HydrophobicContact CB-CG 4.42Å; M104-F160 HydrophobicContact CB-CZ 4.39Å; M104-F160 HydrophobicContact CE-CD2 3.71Å; M104-F160 HydrophobicContact CE-CE2 3.52Å; M104-F160 HydrophobicContact CE-CZ 4.2Å; M104-F160 HydrophobicContact CG-CD1 4.38Å; M104-F160 HydrophobicContact CG-CD2 4.5Å; M104-F160 HydrophobicContact CG-CE1 3.9Å; M104-F160 HydrophobicContact CG-CE2 4.01Å; M104-F160 HydrophobicContact CG-CZ 3.7Å; M104-F160 HydrophobicContact SD-CE2 4.34Å; M104-F160 HydrophobicContact SD-CZ 4.49Å; M104-N161 PolarHBondContact O-N 3.27Å |
| 105 | I | 92 | Very high | 95.8 | Very high | 89 Ų | 89 | 51 Ų | 51 | 46% | 0.456 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.6 | 11.6 | -179.6 | 68.1 | 177.5 | 0 | 0 | 0 | 112.8 | K101 V103 | K101-I105 WeakPolarHBondContact O-CG1 3.37Å; K101-I105 PolarHBondContact O-N 2.87Å; V103-I105 PolarHBondContact O-N 3.02Å |
| 106 | G | 94.5 | Very high | 95.9 | Very high | 9 Ų | 9 | 49 Ų | 49 | 9% | 0.093 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -90.1 | -143.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | E102 V103 V162 E163 | E102-G106 PolarHBondContact O-N 3.19Å; V103-G106 PolarHBondContact O-N 3.49Å; G106-V162 WeakPolarHBondContact O-CA 3.5Å; G106-V162 VanDerWaalsContact O-CG1 3.23Å; G106-V162 WeakPolarHBondContact O-CG1 3.29Å; G106-E163 PolarHBondContact O-N 2.87Å |
| 107 | T | 97.2 | Very high | 96 | Very high | 43 Ų | 43 | 46.9 Ų | 46.9 | 26% | 0.264 | 24% | 0.244 | S | C | . | . | trans | -99.5 | 161.9 | 173.2 | 71.5 | 0 | 0 | 0 | 0 | 111.9 | V109 Q110 L111 | T107-V109 VanDerWaalsContact C-N 3.27Å; T107-V109 PolarHBondContact O-N 2.95Å; T107-Q110 WeakPolarHBondContact O-CB 3.3Å; T107-Q110 PolarHBondContact O-N 3.34Å; T107-Q110 WeakPolarHBondContact OG1-CG 3.42Å; T107-Q110 PolarHBondContact OG1-N 3.15Å; T107-L111 PolarHBondContact O-N 3.33Å | ||
| 108 | G | 96.9 | Very high | 96 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.1 | -40.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111 | Q110 L111 F112 V162 D164 C165 | G108-Q110 VanDerWaalsContact C-N 3.29Å; G108-Q110 PolarHBondContact O-N 2.69Å; G108-L111 PolarHBondContact O-N 2.86Å; G108-L111 VanDerWaalsContact O-N 3.16Å; G108-F112 WeakPolarHBondContact O-CD2 3.12Å; G108-F112 PolarHBondContact O-N 3.48Å; G108-V162 VanDerWaalsContact N-CG1 3.26Å; G108-D164 WeakPolarHBondContact CA-OD1 3.3Å; G108-D164 PolarHBondContact N-OD1 3.15Å; G108-C165 WeakPolarHBondContact CA-SG 3.31Å |
| 109 | V | 97.5 | Very high | 96.2 | Very high | 72 Ų | 72 | 39.9 Ų | 39.9 | 44% | 0.436 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -56.2 | -45.1 | 173.6 | 177.6 | 0 | 0 | 0 | 0 | 110.9 | T107 L111 D113 | T107-V109 VanDerWaalsContact C-N 3.27Å; T107-V109 PolarHBondContact O-N 2.95Å; V109-L111 PolarHBondContact O-N 3.26Å; V109-D113 WeakPolarHBondContact O-CB 3.41Å; V109-D113 VanDerWaalsContact O-CG 3.28Å; V109-D113 PolarHBondContact O-N 3.23Å |
| 110 | Q | 97.6 | Very high | 96.3 | Very high | 101 Ų | 101 | 41.6 Ų | 41.6 | 47% | 0.472 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -63.1 | -42.8 | 177.9 | -69 | 172.4 | -41 | 0 | 0 | 112.1 | T107 G108 F114 | T107-Q110 WeakPolarHBondContact O-CB 3.3Å; T107-Q110 PolarHBondContact O-N 3.34Å; T107-Q110 WeakPolarHBondContact OG1-CG 3.42Å; T107-Q110 PolarHBondContact OG1-N 3.15Å; G108-Q110 VanDerWaalsContact C-N 3.29Å; G108-Q110 PolarHBondContact O-N 2.69Å; Q110-F114 VanDerWaalsContact O-CB 3.22Å; Q110-F114 WeakPolarHBondContact O-CB 3.49Å; Q110-F114 PolarHBondContact O-N 2.88Å; Q110-F114 VanDerWaalsContact O-N 3.08Å |
| 111 | L | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.9 | -55.9 | 177.6 | 176.5 | 61.3 | 0 | 0 | 0 | 112.1 | L71 V103 T107 G108 V109 F114 M115 W156 F160 V162 | L71-L111 HydrophobicContact CD2-CD1 4.19Å; L71-L111 HydrophobicContact CD2-CD2 4.22Å; V103-L111 HydrophobicContact CG1-CB 4.16Å; V103-L111 HydrophobicContact CG1-CD1 3.9Å; T107-L111 PolarHBondContact O-N 3.33Å; G108-L111 PolarHBondContact O-N 2.86Å; G108-L111 VanDerWaalsContact O-N 3.16Å; V109-L111 PolarHBondContact O-N 3.26Å; L111-F114 WeakPolarHBondContact O-CB 3.13Å; L111-F114 PolarHBondContact O-N 3.35Å; L111-M115 HydrophobicContact CD1-CG 4.35Å; L111-M115 HydrophobicContact CD1-SD 4.07Å; L111-M115 HydrophobicContact CG-SD 4.03Å; L111-M115 VanDerWaalsContact O-CG 3.29Å; L111-M115 WeakPolarHBondContact O-CG 3.39Å; L111-M115 PolarHBondContact O-N 3.17Å; L111-W156 HydrophobicContact CD2-CH2 3.93Å; L111-F160 HydrophobicContact CD1-CE1 4.21Å; L111-V162 HydrophobicContact CD2-CG2 4.16Å |
| 112 | F | 98.2 | Very high | 96.9 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 0% | 0.004 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -71.2 | -34.6 | -174.6 | -68 | -73.6 | 0 | 0 | 0 | 112.1 | G108 M115 V116 F137 V170 M173 L174 A177 | G108-F112 WeakPolarHBondContact O-CD2 3.12Å; G108-F112 PolarHBondContact O-N 3.48Å; F112-M115 HydrophobicContact CD1-SD 4.01Å; F112-M115 HydrophobicContact CE1-SD 4.33Å; F112-M115 PolarHBondContact O-N 3.26Å; F112-V116 WeakPolarHBondContact O-CB 3.45Å; F112-V116 VanDerWaalsContact O-CG2 3.31Å; F112-V116 WeakPolarHBondContact O-CG2 3.5Å; F112-V116 PolarHBondContact O-N 3.28Å; F112-F137 HydrophobicContact CE1-CE1 4.12Å; F112-F137 HydrophobicContact CE1-CZ 4.08Å; F112-V170 HydrophobicContact CZ-CB 3.97Å; F112-V170 HydrophobicContact CZ-CG1 4.25Å; F112-M173 HydrophobicContact CD2-CB 3.58Å; F112-M173 HydrophobicContact CD2-CE 4.04Å; F112-M173 HydrophobicContact CD2-SD 4.39Å; F112-M173 HydrophobicContact CE1-CB 4.38Å; F112-M173 HydrophobicContact CE2-CB 3.46Å; F112-M173 VanDerWaalsContact CE2-CB 3.46Å; F112-M173 HydrophobicContact CE2-CE 3.77Å; F112-M173 HydrophobicContact CE2-CG 4.18Å; F112-M173 HydrophobicContact CE2-SD 3.69Å; F112-M173 HydrophobicContact CG-CB 4.16Å; F112-M173 HydrophobicContact CZ-CB 3.89Å; F112-M173 HydrophobicContact CZ-SD 4.39Å; F112-L174 HydrophobicContact CD1-CB 3.81Å; F112-L174 HydrophobicContact CD1-CD1 4.1Å; F112-L174 HydrophobicContact CE1-CB 4.01Å; F112-A177 HydrophobicContact CB-CB 3.81Å |
| 113 | D | 98.3 | Very high | 97.1 | Very high | 48 Ų | 48 | 30.9 Ų | 30.9 | 26% | 0.257 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -67.9 | -35.6 | 173.6 | -74.9 | -4.2 | 0 | 0 | 0 | 111.9 | V109 S117 R180 | V109-D113 WeakPolarHBondContact O-CB 3.41Å; V109-D113 VanDerWaalsContact O-CG 3.28Å; V109-D113 PolarHBondContact O-N 3.23Å; D113-S117 WeakPolarHBondContact O-CB 3.25Å; D113-S117 PolarHBondContact O-N 3.18Å; D113-S117 PolarHBondContact O-OG 3.32Å; D113-R180 IonicContact OD1-CZ 3.12Å; D113-R180 IonicContact OD1-NE 2.97Å; D113-R180 PolarHBondContact OD1-NE 3.36Å; D113-R180 IonicContact OD1-NH2 3.77Å; D113-R180 PolarHBondContact OD1-NH2 3.32Å |
| 114 | F | 98.1 | Very high | 97.3 | Very high | 45 Ų | 45 | 35.1 Ų | 35.1 | 20% | 0.197 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.8 | -48.3 | 171.9 | 170 | -94.6 | 0 | 0 | 0 | 110.8 | L76 L98 V99 P100 V103 Q110 L111 V116 S117 C118 | L76-F114 HydrophobicContact CD2-CE1 4.32Å; L98-F114 WeakPolarHBondContact O-CZ 3.37Å; V99-F114 HydrophobicContact CB-CE1 4.31Å; V99-F114 HydrophobicContact CG1-CD1 4.45Å; V99-F114 HydrophobicContact CG1-CE1 4.28Å; V99-F114 HydrophobicContact CG2-CE1 4.05Å; P100-F114 HydrophobicContact CG-CE2 4.01Å; P100-F114 HydrophobicContact CG-CZ 4.45Å; V103-F114 HydrophobicContact CG1-CB 4.09Å; V103-F114 HydrophobicContact CG1-CD1 4.45Å; V103-F114 HydrophobicContact CG1-CG 4.31Å; V103-F114 HydrophobicContact CG2-CB 4.44Å; V103-F114 HydrophobicContact CG2-CG 4.45Å; Q110-F114 VanDerWaalsContact O-CB 3.22Å; Q110-F114 WeakPolarHBondContact O-CB 3.49Å; Q110-F114 PolarHBondContact O-N 2.88Å; Q110-F114 VanDerWaalsContact O-N 3.08Å; L111-F114 WeakPolarHBondContact O-CB 3.13Å; L111-F114 PolarHBondContact O-N 3.35Å; F114-V116 PolarHBondContact O-N 2.97Å; F114-S117 WeakPolarHBondContact O-CB 3.18Å; F114-S117 PolarHBondContact O-N 2.83Å; F114-C118 VanDerWaalsContact CZ-SG 3.54Å; F114-C118 PolarHBondContact O-N 2.97Å; F114-C118 PolarHBondContact O-SG 3.07Å |
| 115 | M | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.7 | -48 | 178.8 | -72.9 | 173.2 | 63.4 | 0 | 0 | 111.9 | M69 L71 L76 L111 F112 S117 C118 L119 F137 L174 | M69-M115 HydrophobicContact CE-CB 3.65Å; M69-M115 HydrophobicContact CE-CE 3.93Å; M69-M115 HydrophobicContact CE-CG 4.48Å; M69-M115 WeakPolarHBondContact CE-O 3.31Å; L71-M115 HydrophobicContact CD2-SD 4.08Å; L76-M115 HydrophobicContact CD1-CE 4.09Å; L76-M115 HydrophobicContact CD1-CG 4.2Å; L76-M115 HydrophobicContact CD2-CB 4.05Å; L76-M115 HydrophobicContact CD2-CG 3.9Å; L111-M115 HydrophobicContact CD1-CG 4.35Å; L111-M115 HydrophobicContact CD1-SD 4.07Å; L111-M115 HydrophobicContact CG-SD 4.03Å; L111-M115 VanDerWaalsContact O-CG 3.29Å; L111-M115 WeakPolarHBondContact O-CG 3.39Å; L111-M115 PolarHBondContact O-N 3.17Å; F112-M115 HydrophobicContact CD1-SD 4.01Å; F112-M115 HydrophobicContact CE1-SD 4.33Å; F112-M115 PolarHBondContact O-N 3.26Å; M115-S117 VanDerWaalsContact C-N 3.31Å; M115-S117 PolarHBondContact O-N 3.21Å; M115-C118 WeakPolarHBondContact O-CB 3.47Å; M115-C118 PolarHBondContact O-N 2.89Å; M115-L119 PolarHBondContact O-N 2.82Å; M115-F137 HydrophobicContact CE-CD2 4.36Å; M115-F137 HydrophobicContact CE-CE2 3.4Å; M115-F137 HydrophobicContact CE-CZ 3.62Å; M115-L174 HydrophobicContact CE-CD1 4.41Å |
| 116 | V | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.2 | -32.1 | 178.4 | 176.4 | 0 | 0 | 0 | 0 | 111.8 | F112 F114 L119 E120 L174 A177 L178 K181 I183 | F112-V116 WeakPolarHBondContact O-CB 3.45Å; F112-V116 VanDerWaalsContact O-CG2 3.31Å; F112-V116 WeakPolarHBondContact O-CG2 3.5Å; F112-V116 PolarHBondContact O-N 3.28Å; F114-V116 PolarHBondContact O-N 2.97Å; V116-L119 PolarHBondContact O-N 2.79Å; V116-E120 WeakPolarHBondContact O-CB 3.3Å; V116-E120 PolarHBondContact O-N 3.01Å; V116-L174 HydrophobicContact CG2-CD1 3.85Å; V116-A177 HydrophobicContact CB-CB 4.37Å; V116-A177 HydrophobicContact CG2-CB 3.57Å; V116-L178 HydrophobicContact CG1-CD2 4.04Å; V116-L178 HydrophobicContact CG2-CD2 3.86Å; V116-L178 HydrophobicContact CG2-CG 4.03Å; V116-K181 HydrophobicContact CB-CD 4.16Å; V116-K181 HydrophobicContact CG1-CB 3.98Å; V116-K181 HydrophobicContact CG1-CD 3.46Å; V116-K181 VanDerWaalsContact CG1-CD 3.46Å; V116-K181 HydrophobicContact CG1-CG 4.15Å; V116-I183 HydrophobicContact CG1-CD1 3.47Å; V116-I183 VanDerWaalsContact CG1-CD1 3.47Å; V116-I183 HydrophobicContact CG1-CG1 4.34Å |
| 117 | S | 98.5 | Very high | 98 | Very high | 46 Ų | 46 | 44.4 Ų | 44.4 | 32% | 0.322 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.8 | -39.3 | 171.8 | -58.1 | 0 | 0 | 0 | 0 | 112.8 | D113 F114 M115 K121 K181 | D113-S117 WeakPolarHBondContact O-CB 3.25Å; D113-S117 PolarHBondContact O-N 3.18Å; D113-S117 PolarHBondContact O-OG 3.32Å; F114-S117 WeakPolarHBondContact O-CB 3.18Å; F114-S117 PolarHBondContact O-N 2.83Å; M115-S117 VanDerWaalsContact C-N 3.31Å; M115-S117 PolarHBondContact O-N 3.21Å; S117-K121 PolarHBondContact O-N 2.8Å; S117-K121 VanDerWaalsContact O-N 3.16Å; S117-K181 WeakPolarHBondContact OG-CE 3.42Å; S117-K181 PolarHBondContact OG-NZ 3.06Å |
| 118 | C | 98.4 | Very high | 98 | Very high | 10 Ų | 10 | 44 Ų | 44 | 7% | 0.068 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.1 | -43 | 174.3 | -63.7 | 0 | 0 | 0 | 0 | 111.3 | L76 Y97 F114 M115 K121 F122 | L76-C118 HydrophobicContact CD2-CB 3.71Å; Y97-C118 HydrophobicContact CD1-CB 3.98Å; Y97-C118 HydrophobicContact CD2-CB 3.72Å; Y97-C118 HydrophobicContact CE1-CB 4.14Å; Y97-C118 HydrophobicContact CE2-CB 3.88Å; Y97-C118 HydrophobicContact CG-CB 3.77Å; Y97-C118 PolarHBondContact OH-O 3.05Å; F114-C118 VanDerWaalsContact CZ-SG 3.54Å; F114-C118 PolarHBondContact O-N 2.97Å; F114-C118 PolarHBondContact O-SG 3.07Å; M115-C118 WeakPolarHBondContact O-CB 3.47Å; M115-C118 PolarHBondContact O-N 2.89Å; C118-K121 PolarHBondContact O-N 2.85Å; C118-F122 WeakPolarHBondContact O-CB 3.36Å; C118-F122 PolarHBondContact O-N 2.83Å |
| 119 | L | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.2 | -47.6 | 174.3 | 177.1 | 65 | 0 | 0 | 0 | 111.7 | L67 M69 V78 M115 V116 K121 F122 L123 L178 V185 | L67-L119 HydrophobicContact CD1-CD1 4.2Å; L67-L119 HydrophobicContact CD2-CD1 4.31Å; M69-L119 HydrophobicContact CE-CB 4.23Å; M69-L119 HydrophobicContact SD-CB 4.07Å; M69-L119 HydrophobicContact SD-CD1 4.39Å; M69-L119 HydrophobicContact SD-CD2 3.85Å; M69-L119 HydrophobicContact SD-CG 4.31Å; V78-L119 HydrophobicContact CG1-CD1 3.65Å; M115-L119 PolarHBondContact O-N 2.82Å; V116-L119 PolarHBondContact O-N 2.79Å; L119-K121 VanDerWaalsContact C-N 3.3Å; L119-K121 PolarHBondContact O-N 3.04Å; L119-F122 WeakPolarHBondContact O-CB 3.18Å; L119-F122 PolarHBondContact O-N 2.79Å; L119-F122 VanDerWaalsContact O-N 3.14Å; L119-L123 HydrophobicContact CD1-CD1 4.03Å; L119-L123 HydrophobicContact CD1-CD2 4.33Å; L119-L123 HydrophobicContact CD1-CG 3.93Å; L119-L123 HydrophobicContact CD2-CD1 4.39Å; L119-L123 HydrophobicContact CG-CD1 3.87Å; L119-L123 HydrophobicContact CG-CG 4.18Å; L119-L123 WeakPolarHBondContact O-CG 3.49Å; L119-L123 PolarHBondContact O-N 2.82Å; L119-L178 HydrophobicContact CD2-CD2 3.56Å; L119-V185 HydrophobicContact CD2-CG1 4.41Å; L119-V185 HydrophobicContact CD2-CG2 4.36Å |
| 120 | E | 98.4 | Very high | 97.7 | Very high | 46 Ų | 46 | 49 Ų | 49 | 22% | 0.215 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -56.5 | -44.7 | 179.5 | -167.6 | -169.9 | 163.6 | 0 | 0 | 111.7 | V116 L123 K124 L129 K181 I183 | V116-E120 WeakPolarHBondContact O-CB 3.3Å; V116-E120 PolarHBondContact O-N 3.01Å; E120-L123 PolarHBondContact O-N 2.54Å; E120-K124 HydrophobicContact CG-CD 4.42Å; E120-K124 WeakPolarHBondContact O-CB 3.33Å; E120-K124 WeakPolarHBondContact O-CG 3.37Å; E120-K124 PolarHBondContact O-N 3.28Å; E120-K124 IonicContact OE1-NZ 2.66Å; E120-K124 PolarHBondContact OE1-NZ 3.35Å; E120-L129 HydrophobicContact CG-CD1 4.01Å; E120-K181 IonicContact OE2-NZ 3.85Å; E120-K181 PolarHBondContact OE2-NZ 2.95Å; E120-I183 HydrophobicContact CB-CD1 3.68Å; E120-I183 HydrophobicContact CG-CD1 3.99Å |
| 121 | K | 98.3 | Very high | 97.7 | Very high | 106 Ų | 106 | 46.7 Ų | 46.7 | 46% | 0.461 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61 | -49.4 | 175.4 | 179.3 | -177.6 | 167.7 | -172.1 | 0 | 111 | Y97 S117 C118 L119 L123 K124 E125 | Y97-K121 HydrophobicContact CE1-CD 4.17Å; S117-K121 PolarHBondContact O-N 2.8Å; S117-K121 VanDerWaalsContact O-N 3.16Å; C118-K121 PolarHBondContact O-N 2.85Å; L119-K121 VanDerWaalsContact C-N 3.3Å; L119-K121 PolarHBondContact O-N 3.04Å; K121-L123 PolarHBondContact O-N 2.86Å; K121-K124 WeakPolarHBondContact O-CB 3.36Å; K121-K124 PolarHBondContact O-N 2.91Å; K121-E125 WeakPolarHBondContact CE-OE1 3.28Å; K121-E125 IonicContact NZ-OE1 3.16Å; K121-E125 WeakPolarHBondContact O-CG 3.47Å; K121-E125 PolarHBondContact O-N 2.94Å |
| 122 | F | 98.5 | Very high | 97.7 | Very high | 1 Ų | 1 | 53.7 Ų | 53.7 | 0% | 0.004 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.6 | -43.5 | 178.9 | 176.6 | -96.7 | 0 | 0 | 0 | 112.5 | L67 V78 L80 V93 T95 C118 L119 E125 N126 | L67-F122 HydrophobicContact CD2-CE1 4.12Å; V78-F122 HydrophobicContact CB-CB 4.46Å; V78-F122 HydrophobicContact CB-CD1 4.23Å; V78-F122 HydrophobicContact CB-CD2 4.35Å; V78-F122 HydrophobicContact CB-CG 4.1Å; V78-F122 HydrophobicContact CG1-CB 4.18Å; V78-F122 HydrophobicContact CG1-CD1 3.38Å; V78-F122 HydrophobicContact CG1-CD2 4.35Å; V78-F122 HydrophobicContact CG1-CE1 3.7Å; V78-F122 HydrophobicContact CG1-CG 3.72Å; V78-F122 HydrophobicContact CG1-CZ 4.31Å; L80-F122 HydrophobicContact CB-CE1 3.89Å; L80-F122 HydrophobicContact CB-CZ 4Å; V93-F122 HydrophobicContact CG2-CZ 4.01Å; V93-F122 WeakPolarHBondContact O-CZ 3.39Å; T95-F122 WeakPolarHBondContact OG1-CD2 3.37Å; C118-F122 WeakPolarHBondContact O-CB 3.36Å; C118-F122 PolarHBondContact O-N 2.83Å; L119-F122 WeakPolarHBondContact O-CB 3.18Å; L119-F122 PolarHBondContact O-N 2.79Å; L119-F122 VanDerWaalsContact O-N 3.14Å; F122-E125 PolarHBondContact O-N 3.21Å; F122-N126 PolarHBondContact O-N 3.24Å; F122-N126 VanDerWaalsContact O-N 3.1Å; F122-N126 PolarHBondContact O-ND2 3.39Å |
| 123 | L | 98.4 | Very high | 97.7 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.2 | -37.3 | 177.8 | -68.1 | 176.2 | 0 | 0 | 0 | 112.4 | L67 L119 E120 K121 N126 N127 M128 L129 L133 I183 V185 | L67-L123 HydrophobicContact CD1-CD2 3.98Å; L67-L123 HydrophobicContact CD2-CD2 3.95Å; L119-L123 HydrophobicContact CD1-CD1 4.03Å; L119-L123 HydrophobicContact CD1-CD2 4.33Å; L119-L123 HydrophobicContact CD1-CG 3.93Å; L119-L123 HydrophobicContact CD2-CD1 4.39Å; L119-L123 HydrophobicContact CG-CD1 3.87Å; L119-L123 HydrophobicContact CG-CG 4.18Å; L119-L123 WeakPolarHBondContact O-CG 3.49Å; L119-L123 PolarHBondContact O-N 2.82Å; E120-L123 PolarHBondContact O-N 2.54Å; K121-L123 PolarHBondContact O-N 2.86Å; L123-N126 CarbonylContact O-C 3.58Å; L123-N126 PolarHBondContact O-N 3.02Å; L123-N127 PolarHBondContact O-N 3.28Å; L123-M128 HydrophobicContact CD2-CB 3.8Å; L123-M128 PolarHBondContact O-N 3.35Å; L123-L129 HydrophobicContact CB-CB 4.46Å; L123-L129 HydrophobicContact CB-CD1 4.16Å; L123-L133 HydrophobicContact CD2-CD1 4.02Å; L123-I183 HydrophobicContact CD1-CG2 3.76Å; L123-V185 HydrophobicContact CD1-CG2 4.05Å |
| 124 | K | 97.7 | Very high | 97.7 | Very high | 109 Ų | 109 | 52.6 Ų | 52.6 | 47% | 0.474 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.4 | -46.5 | 173.3 | -78.1 | 168.4 | 174.4 | 170.7 | 0 | 111.5 | E120 K121 N126 N127 L129 | E120-K124 HydrophobicContact CG-CD 4.42Å; E120-K124 WeakPolarHBondContact O-CB 3.33Å; E120-K124 WeakPolarHBondContact O-CG 3.37Å; E120-K124 PolarHBondContact O-N 3.28Å; E120-K124 IonicContact OE1-NZ 2.66Å; E120-K124 PolarHBondContact OE1-NZ 3.35Å; K121-K124 WeakPolarHBondContact O-CB 3.36Å; K121-K124 PolarHBondContact O-N 2.91Å; K124-N126 PolarHBondContact O-N 3.04Å; K124-N127 PolarHBondContact O-N 3.34Å; K124-L129 HydrophobicContact CD-CD2 4.35Å; K124-L129 HydrophobicContact CG-CB 4.45Å; K124-L129 HydrophobicContact CG-CD1 4.3Å; K124-L129 HydrophobicContact CG-CD2 3.81Å; K124-L129 HydrophobicContact CG-CG 4.42Å |
| 125 | E | 98 | Very high | 97.7 | Very high | 109 Ų | 109 | 50.5 Ų | 50.5 | 51% | 0.509 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.4 | -29 | 179.3 | -72.1 | 170.6 | 172.2 | 0 | 0 | 112.7 | K121 F122 | K121-E125 WeakPolarHBondContact CE-OE1 3.28Å; K121-E125 IonicContact NZ-OE1 3.16Å; K121-E125 WeakPolarHBondContact O-CG 3.47Å; K121-E125 PolarHBondContact O-N 2.94Å; F122-E125 PolarHBondContact O-N 3.21Å |
| 126 | N | 97.7 | Very high | 97.7 | Very high | 50 Ų | 50 | 50.5 Ų | 50.5 | 27% | 0.267 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | 7.6 | 179.3 | -67.2 | -79 | 0 | 0 | 0 | 114.3 | V93 F122 L123 K124 M128 | V93-N126 WeakPolarHBondContact CG2-OD1 3.34Å; F122-N126 PolarHBondContact O-N 3.24Å; F122-N126 VanDerWaalsContact O-N 3.1Å; F122-N126 PolarHBondContact O-ND2 3.39Å; L123-N126 CarbonylContact O-C 3.58Å; L123-N126 PolarHBondContact O-N 3.02Å; K124-N126 PolarHBondContact O-N 3.04Å; N126-M128 VanDerWaalsContact C-N 3.31Å; N126-M128 HydrophobicContact CB-CG 4.39Å; N126-M128 WeakPolarHBondContact O-CG 3.48Å; N126-M128 PolarHBondContact O-N 3.16Å |
| 127 | N | 97.3 | Very high | 97.7 | Very high | 145 Ų | 145 | 50.5 Ų | 50.5 | 78% | 0.775 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 34.1 | -179 | -53 | -70.1 | 0 | 0 | 0 | 115 | L123 K124 | L123-N127 PolarHBondContact O-N 3.28Å; K124-N127 PolarHBondContact O-N 3.34Å |
| 128 | M | 96.7 | Very high | 97.7 | Very high | 34 Ų | 34 | 48.3 Ų | 48.3 | 17% | 0.167 | 24% | 0.237 | C | C | . | . | trans | -114.1 | 9.3 | -176.3 | -65.1 | -62.5 | -78.3 | 0 | 0 | 113.8 | L80 L123 N126 E130 T131 L133 | L80-M128 HydrophobicContact CD1-CE 4.38Å; L80-M128 HydrophobicContact CD2-CE 4.37Å; L80-M128 HydrophobicContact CD2-CG 3.85Å; L123-M128 HydrophobicContact CD2-CB 3.8Å; L123-M128 PolarHBondContact O-N 3.35Å; N126-M128 VanDerWaalsContact C-N 3.31Å; N126-M128 HydrophobicContact CB-CG 4.39Å; N126-M128 WeakPolarHBondContact O-CG 3.48Å; N126-M128 PolarHBondContact O-N 3.16Å; M128-E130 VanDerWaalsContact C-N 3.3Å; M128-E130 PolarHBondContact O-N 3.24Å; M128-T131 HydrophobicContact CE-CG2 3.72Å; M128-T131 WeakPolarHBondContact O-CB 3.35Å; M128-T131 PolarHBondContact O-N 2.66Å; M128-T131 VanDerWaalsContact O-N 3.17Å; M128-L133 HydrophobicContact CB-CD1 4.16Å; M128-L133 HydrophobicContact CE-CD1 3.91Å; M128-L133 HydrophobicContact CE-CD2 3.84Å; M128-L133 HydrophobicContact CE-CG 4.33Å | ||
| 129 | L | 94.5 | Very high | 97.5 | Very high | 46 Ų | 46 | 48 Ų | 48 | 24% | 0.241 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -33.6 | -173.5 | -169.9 | 69.4 | 0 | 0 | 0 | 113.7 | E120 L123 K124 | E120-L129 HydrophobicContact CG-CD1 4.01Å; L123-L129 HydrophobicContact CB-CB 4.46Å; L123-L129 HydrophobicContact CB-CD1 4.16Å; K124-L129 HydrophobicContact CD-CD2 4.35Å; K124-L129 HydrophobicContact CG-CB 4.45Å; K124-L129 HydrophobicContact CG-CD1 4.3Å; K124-L129 HydrophobicContact CG-CD2 3.81Å; K124-L129 HydrophobicContact CG-CG 4.42Å |
| 130 | E | 94.9 | Very high | 97.3 | Very high | 131 Ų | 131 | 48 Ų | 48 | 61% | 0.612 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -1.6 | 179.9 | -61.2 | -58.8 | 144.5 | 0 | 0 | 113.2 | M128 R184 | M128-E130 VanDerWaalsContact C-N 3.3Å; M128-E130 PolarHBondContact O-N 3.24Å; E130-R184 IonicContact OE2-CZ 3.89Å; E130-R184 IonicContact OE2-NE 3.96Å; E130-R184 IonicContact OE2-NH2 3.7Å |
| 131 | T | 96.9 | Very high | 97 | Very high | 53 Ų | 53 | 45.9 Ų | 45.9 | 33% | 0.325 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -84.6 | 133.6 | -178.4 | -51 | 0 | 0 | 0 | 0 | 110 | M128 L133 | M128-T131 HydrophobicContact CE-CG2 3.72Å; M128-T131 WeakPolarHBondContact O-CB 3.35Å; M128-T131 PolarHBondContact O-N 2.66Å; M128-T131 VanDerWaalsContact O-N 3.17Å; T131-L133 HydrophobicContact CG2-CD2 4.03Å; T131-L133 HydrophobicContact CG2-CG 4.02Å; T131-L133 PolarHBondContact O-N 3.32Å |
| 132 | E | 97.4 | Very high | 96.8 | Very high | 146 Ų | 146 | 40.9 Ų | 40.9 | 68% | 0.682 | 20% | 0.203 | S | C | * | . | trans | -74.1 | 119.5 | 170 | -68.5 | -173.7 | -179.7 | 0 | 0 | 109.5 | R184 | E132-R184 VanDerWaalsContact CA-O 3.31Å; E132-R184 WeakPolarHBondContact CA-O 3.33Å; E132-R184 HydrophobicContact CG-CB 4.14Å | ||
| 133 | L | 98 | Very high | 96.7 | Very high | 9 Ų | 9 | 41.4 Ų | 41.4 | 5% | 0.047 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 140.9 | -175.7 | -67.3 | 166.7 | 0 | 0 | 0 | 112 | C65 L67 L80 L123 M128 T131 R184 V185 K186 | C65-L133 HydrophobicContact CB-CD2 4.23Å; C65-L133 WeakPolarHBondContact O-CD2 3.37Å; L67-L133 HydrophobicContact CD1-CB 3.64Å; L67-L133 HydrophobicContact CD1-CD1 3.54Å; L67-L133 HydrophobicContact CD1-CG 4.23Å; L67-L133 HydrophobicContact CD2-CD1 4.41Å; L67-L133 HydrophobicContact CG-CB 4.14Å; L67-L133 HydrophobicContact CG-CD1 3.83Å; L80-L133 HydrophobicContact CD1-CD1 4.07Å; L80-L133 HydrophobicContact CD1-CD2 4.48Å; L123-L133 HydrophobicContact CD2-CD1 4.02Å; M128-L133 HydrophobicContact CB-CD1 4.16Å; M128-L133 HydrophobicContact CE-CD1 3.91Å; M128-L133 HydrophobicContact CE-CD2 3.84Å; M128-L133 HydrophobicContact CE-CG 4.33Å; T131-L133 HydrophobicContact CG2-CD2 4.03Å; T131-L133 HydrophobicContact CG2-CG 4.02Å; T131-L133 PolarHBondContact O-N 3.32Å; L133-R184 PolarHBondContact N-O 3.42Å; L133-R184 VanDerWaalsContact N-O 3.08Å; L133-V185 HydrophobicContact CB-CG2 4.26Å; L133-V185 WeakPolarHBondContact O-CA 3.46Å; L133-K186 PolarHBondContact O-N 3.17Å |
| 134 | S | 97.9 | Very high | 96.5 | Very high | 18 Ų | 18 | 45.1 Ų | 45.1 | 13% | 0.126 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 134.5 | 171.1 | -71.9 | 0 | 0 | 0 | 0 | 110 | L67 E468 | L67-S134 PolarHBondContact N-O 2.83Å; S134-E468 WeakPolarHBondContact CB-OE2 3.37Å; S134-E468 PolarHBondContact OG-OE2 3.29Å |
| 135 | L | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 125.9 | -175.1 | 175.3 | 68.2 | 0 | 0 | 0 | 111.9 | L67 M69 L174 L178 V185 K186 V187 N188 A189 | L67-L135 HydrophobicContact CB-CB 4.4Å; L67-L135 HydrophobicContact CB-CD1 3.64Å; L67-L135 WeakPolarHBondContact O-CA 3.4Å; M69-L135 HydrophobicContact CB-CD1 4.09Å; M69-L135 HydrophobicContact CG-CD1 3.75Å; M69-L135 HydrophobicContact CG-CD2 4.34Å; M69-L135 HydrophobicContact SD-CD1 4.32Å; M69-L135 HydrophobicContact SD-CD2 3.91Å; L135-L174 HydrophobicContact CD2-CD2 3.89Å; L135-L178 HydrophobicContact CD2-CD1 4.37Å; L135-V185 HydrophobicContact CB-CG1 3.55Å; L135-V185 HydrophobicContact CD2-CG1 3.98Å; L135-V185 HydrophobicContact CG-CG1 4.29Å; L135-K186 WeakPolarHBondContact CB-O 3.17Å; L135-K186 PolarHBondContact N-O 2.96Å; L135-V187 HydrophobicContact CD2-CG2 4.33Å; L135-N188 PolarHBondContact O-N 3.45Å; L135-A189 PolarHBondContact O-N 2.85Å |
| 136 | G | 98.5 | Very high | 96 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 120 | 162.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | L67 S68 M69 A460 | L67-G136 PolarHBondContact O-N 2.86Å; S68-G136 CarbonylContact C-O 3.23Å; S68-G136 WeakPolarHBondContact CA-O 3.45Å; S68-G136 WeakPolarHBondContact CB-O 3.4Å; M69-G136 PolarHBondContact N-O 2.84Å; G136-A460 WeakPolarHBondContact CA-O 3.38Å |
| 137 | F | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 110.1 | -178 | -178.4 | -150.5 | 0 | 0 | 0 | 110.9 | M69 F112 M115 F139 V170 L174 V187 A189 I190 M191 | M69-F137 HydrophobicContact CB-CD2 4.25Å; M69-F137 WeakPolarHBondContact O-CD2 3.42Å; F112-F137 HydrophobicContact CE1-CE1 4.12Å; F112-F137 HydrophobicContact CE1-CZ 4.08Å; M115-F137 HydrophobicContact CE-CD2 4.36Å; M115-F137 HydrophobicContact CE-CE2 3.4Å; M115-F137 HydrophobicContact CE-CZ 3.62Å; F137-F139 HydrophobicContact CD1-CB 4.46Å; F137-F139 HydrophobicContact CE1-CB 4.05Å; F137-F139 AromaticContact CE1-CD2 3.97Å; F137-F139 HydrophobicContact CE1-CD2 3.97Å; F137-F139 HydrophobicContact CE1-CG 4.26Å; F137-F139 HydrophobicContact CE2-CB 4.25Å; F137-F139 HydrophobicContact CE2-CD2 4.1Å; F137-F139 HydrophobicContact CZ-CB 3.94Å; F137-F139 AromaticContact CZ-CD2 3.38Å; F137-F139 HydrophobicContact CZ-CD2 3.38Å; F137-F139 HydrophobicContact CZ-CE2 4.23Å; F137-F139 HydrophobicContact CZ-CG 4.03Å; F137-V170 HydrophobicContact CE1-CB 4.39Å; F137-V170 HydrophobicContact CE1-CG2 4.24Å; F137-L174 HydrophobicContact CB-CD2 4.09Å; F137-L174 HydrophobicContact CD1-CD2 3.49Å; F137-L174 VanDerWaalsContact CD1-CD2 3.49Å; F137-L174 HydrophobicContact CD2-CD2 3.96Å; F137-L174 HydrophobicContact CE1-CB 4.33Å; F137-L174 HydrophobicContact CE1-CD2 3.8Å; F137-L174 HydrophobicContact CE2-CD2 4.28Å; F137-L174 HydrophobicContact CG-CD2 3.57Å; F137-L174 HydrophobicContact CZ-CD2 4.18Å; F137-V187 HydrophobicContact CB-CG1 4.45Å; F137-A189 PolarHBondContact N-O 3.05Å; F137-I190 HydrophobicContact CB-CG1 4.4Å; F137-I190 HydrophobicContact CD1-CG1 4.37Å; F137-I190 HydrophobicContact CD1-CG2 4.17Å; F137-I190 CarbonylContact O-C 3.25Å; F137-I190 VanDerWaalsContact O-CA 3.3Å; F137-I190 WeakPolarHBondContact O-CA 3.19Å; F137-M191 PolarHBondContact O-N 2.72Å |
| 138 | V | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 113.4 | 168.3 | 179.4 | 0 | 0 | 0 | 0 | 108.7 | M69 D70 L71 M191 D193 A196 A460 | M69-V138 PolarHBondContact O-N 3.13Å; D70-V138 HydrophobicContact CB-CB 3.84Å; D70-V138 HydrophobicContact CB-CG1 4.4Å; D70-V138 HydrophobicContact CB-CG2 4.21Å; L71-V138 PolarHBondContact N-O 3.11Å; V138-M191 WeakPolarHBondContact CA-O 3.36Å; V138-M191 HydrophobicContact CG2-CG 4.3Å; V138-D193 VanDerWaalsContact CG1-CA 3.44Å; V138-D193 HydrophobicContact CG1-CB 3.62Å; V138-A196 HydrophobicContact CG2-CB 3.81Å; V138-A460 HydrophobicContact CG2-CB 3.28Å |
| 139 | F | 96.1 | Very high | 95.5 | Very high | 3 Ų | 3 | 36.3 Ų | 36.3 | 1% | 0.013 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 93.6 | 173.6 | -166.3 | -104.7 | 0 | 0 | 0 | 108.1 | L71 F137 Y141 L153 W156 V170 I190 M191 | L71-F139 HydrophobicContact CD2-CD2 4.13Å; L71-F139 HydrophobicContact CD2-CE2 3.89Å; F137-F139 HydrophobicContact CD1-CB 4.46Å; F137-F139 HydrophobicContact CE1-CB 4.05Å; F137-F139 AromaticContact CE1-CD2 3.97Å; F137-F139 HydrophobicContact CE1-CD2 3.97Å; F137-F139 HydrophobicContact CE1-CG 4.26Å; F137-F139 HydrophobicContact CE2-CB 4.25Å; F137-F139 HydrophobicContact CE2-CD2 4.1Å; F137-F139 HydrophobicContact CZ-CB 3.94Å; F137-F139 AromaticContact CZ-CD2 3.38Å; F137-F139 HydrophobicContact CZ-CD2 3.38Å; F137-F139 HydrophobicContact CZ-CE2 4.23Å; F137-F139 HydrophobicContact CZ-CG 4.03Å; F139-Y141 AromaticContact CD1-CD2 3.82Å; F139-Y141 HydrophobicContact CD1-CD2 3.82Å; F139-Y141 HydrophobicContact CD1-CG 4.44Å; F139-Y141 AromaticContact CD2-CD2 3.97Å; F139-Y141 HydrophobicContact CD2-CD2 3.97Å; F139-Y141 HydrophobicContact CD2-CE2 4.34Å; F139-Y141 AromaticContact CE1-CD2 3.6Å; F139-Y141 HydrophobicContact CE1-CD2 3.6Å; F139-Y141 HydrophobicContact CE1-CG 4.06Å; F139-Y141 AromaticContact CE2-CD2 3.79Å; F139-Y141 HydrophobicContact CE2-CD2 3.79Å; F139-Y141 HydrophobicContact CE2-CE2 4.1Å; F139-Y141 HydrophobicContact CG-CD2 4.03Å; F139-Y141 AromaticContact CZ-CD2 3.6Å; F139-Y141 HydrophobicContact CZ-CD2 3.6Å; F139-Y141 HydrophobicContact CZ-CE2 4.26Å; F139-Y141 HydrophobicContact CZ-CG 4.31Å; F139-Y141 PolarHBondContact O-N 2.92Å; F139-L153 HydrophobicContact CE1-CB 4.49Å; F139-L153 HydrophobicContact CE1-CD1 3.84Å; F139-L153 HydrophobicContact CE1-CG 4.49Å; F139-W156 HydrophobicContact CE1-CZ3 4.45Å; F139-W156 HydrophobicContact CE2-CH2 4.16Å; F139-W156 HydrophobicContact CE2-CZ3 4.25Å; F139-W156 AromaticContact CZ-CH2 3.56Å; F139-W156 HydrophobicContact CZ-CH2 3.56Å; F139-W156 AromaticContact CZ-CZ3 3.63Å; F139-W156 HydrophobicContact CZ-CZ3 3.63Å; F139-V170 HydrophobicContact CB-CG2 4.48Å; F139-V170 HydrophobicContact CD1-CB 4.46Å; F139-V170 HydrophobicContact CD1-CG1 4.25Å; F139-V170 HydrophobicContact CD1-CG2 3.94Å; F139-V170 HydrophobicContact CE1-CB 4.36Å; F139-V170 HydrophobicContact CE1-CG1 3.72Å; F139-V170 HydrophobicContact CE1-CG2 4.27Å; F139-V170 HydrophobicContact CE2-CG1 4.43Å; F139-V170 HydrophobicContact CG-CG2 4.11Å; F139-V170 HydrophobicContact CZ-CB 4.43Å; F139-V170 HydrophobicContact CZ-CG1 3.81Å; F139-I190 HydrophobicContact CB-CG2 4.46Å; F139-M191 PolarHBondContact N-O 3.45Å |
| 140 | S | 93.1 | Very high | 95.6 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.007 | 18% | 0.177 | C | C | . | . | trans | -73.5 | 30.3 | -169.4 | -58.9 | 0 | 0 | 0 | 0 | 115.3 | L71 S72 K158 D193 | L71-S140 PolarHBondContact O-OG 3.38Å; S72-S140 PolarHBondContact OG-OG 3.27Å; S140-K158 PolarHBondContact O-NZ 3.18Å; S140-D193 WeakPolarHBondContact CA-OD1 3.12Å; S140-D193 WeakPolarHBondContact CB-OD1 3.22Å; S140-D193 WeakPolarHBondContact OG-CB 3.35Å; S140-D193 PolarHBondContact OG-OD1 2.9Å | ||
| 141 | Y | 92.6 | Very high | 95.7 | Very high | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.008 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -123 | 149.2 | -178.5 | -52.5 | -88 | 0 | 0 | 0 | 109.4 | L71 F139 C143 W156 T157 K158 F160 | L71-Y141 HydrophobicContact CD2-CE2 4.01Å; L71-Y141 HydrophobicContact CG-CE2 4.17Å; F139-Y141 AromaticContact CD1-CD2 3.82Å; F139-Y141 HydrophobicContact CD1-CD2 3.82Å; F139-Y141 HydrophobicContact CD1-CG 4.44Å; F139-Y141 AromaticContact CD2-CD2 3.97Å; F139-Y141 HydrophobicContact CD2-CD2 3.97Å; F139-Y141 HydrophobicContact CD2-CE2 4.34Å; F139-Y141 AromaticContact CE1-CD2 3.6Å; F139-Y141 HydrophobicContact CE1-CD2 3.6Å; F139-Y141 HydrophobicContact CE1-CG 4.06Å; F139-Y141 AromaticContact CE2-CD2 3.79Å; F139-Y141 HydrophobicContact CE2-CD2 3.79Å; F139-Y141 HydrophobicContact CE2-CE2 4.1Å; F139-Y141 HydrophobicContact CG-CD2 4.03Å; F139-Y141 AromaticContact CZ-CD2 3.6Å; F139-Y141 HydrophobicContact CZ-CD2 3.6Å; F139-Y141 HydrophobicContact CZ-CE2 4.26Å; F139-Y141 HydrophobicContact CZ-CG 4.31Å; F139-Y141 PolarHBondContact O-N 2.92Å; Y141-C143 PolarHBondContact O-N 3.07Å; Y141-C143 VanDerWaalsContact O-N 3.11Å; Y141-W156 AromaticContact CD1-CE3 3.65Å; Y141-W156 HydrophobicContact CD1-CE3 3.65Å; Y141-W156 HydrophobicContact CD1-CZ3 4.01Å; Y141-W156 HydrophobicContact CD2-CE3 4.3Å; Y141-W156 AromaticContact CD2-CZ3 3.82Å; Y141-W156 HydrophobicContact CD2-CZ3 3.82Å; Y141-W156 AromaticContact CE1-CE3 3.79Å; Y141-W156 HydrophobicContact CE1-CE3 3.79Å; Y141-W156 HydrophobicContact CE1-CZ3 4.01Å; Y141-W156 HydrophobicContact CE2-CE3 4.46Å; Y141-W156 AromaticContact CE2-CZ3 3.86Å; Y141-W156 HydrophobicContact CE2-CZ3 3.86Å; Y141-W156 AromaticContact CG-CE3 3.91Å; Y141-W156 HydrophobicContact CG-CE3 3.91Å; Y141-W156 AromaticContact CG-CZ3 3.91Å; Y141-W156 HydrophobicContact CG-CZ3 3.91Å; Y141-W156 AromaticContact CZ-CZ3 3.95Å; Y141-T157 WeakPolarHBondContact CD1-OG1 3.33Å; Y141-T157 WeakPolarHBondContact CE1-O 3.49Å; Y141-K158 HydrophobicContact CE1-CB 4.37Å; Y141-F160 HydrophobicContact CE1-CB 4.07Å; Y141-F160 AromaticContact CE1-CD2 3.98Å; Y141-F160 HydrophobicContact CE1-CD2 3.98Å; Y141-F160 HydrophobicContact CE1-CG 4.03Å; Y141-F160 AromaticContact CZ-CD2 3.81Å; Y141-F160 AromaticContact CZ-CG 3.9Å; Y141-F160 WeakPolarHBondContact OH-CD2 3.36Å; Y141-F160 WeakPolarHBondContact OH-CE2 3.47Å; Y141-F160 WeakPolarHBondContact OH-CG 3.37Å; Y141-F160 VanDerWaalsContact OH-CZ 3.28Å; Y141-F160 WeakPolarHBondContact OH-CZ 3.23Å |
| 142 | P | 93.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | trans | -59.1 | 118.4 | -174.5 | -27.4 | 37.3 | 0 | 0 | 0 | 111.9 | L50 L154 W155 T157 E268 | L50-P142 HydrophobicContact CD1-CB 4.27Å; P142-L154 WeakPolarHBondContact O-CB 3.49Å; P142-L154 PolarHBondContact O-N 3.43Å; P142-W155 HydrophobicContact CB-CD2 4.15Å; P142-W155 HydrophobicContact CB-CH2 3.93Å; P142-W155 HydrophobicContact CB-CZ2 3.54Å; P142-W155 HydrophobicContact CB-CZ3 4.44Å; P142-W155 HydrophobicContact CG-CD2 4.34Å; P142-W155 HydrophobicContact CG-CZ2 3.69Å; P142-T157 HydrophobicContact CG-CG2 4.17Å; P142-E268 WeakPolarHBondContact CA-OE1 3.46Å; P142-E268 WeakPolarHBondContact CG-OE2 3.24Å | ||
| 143 | C | 96.2 | Very high | 95.7 | Very high | 12 Ų | 12 | 23.7 Ų | 23.7 | 8% | 0.081 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 134.7 | -177.5 | -82.6 | 0 | 0 | 0 | 0 | 111.8 | Y141 M145 A151 K152 | Y141-C143 PolarHBondContact O-N 3.07Å; Y141-C143 VanDerWaalsContact O-N 3.11Å; C143-M145 PolarHBondContact O-N 3.44Å; C143-A151 HydrophobicContact CB-CB 4.06Å; C143-K152 CarbonylContact C-O 3.27Å; C143-K152 WeakPolarHBondContact CA-O 3.22Å |
| 144 | E | 95.5 | Very high | 95.5 | Very high | 80 Ų | 80 | 25.6 Ų | 25.6 | 37% | 0.374 | 13% | 0.126 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 107.2 | 162.2 | -177.6 | -172.3 | -154.9 | 0 | 0 | 108.8 | K146 K152 L154 | E144-K146 WeakPolarHBondContact OE1-CE 3.28Å; E144-K146 IonicContact OE1-NZ 3.89Å; E144-K146 PolarHBondContact OE1-NZ 2.82Å; E144-K146 WeakPolarHBondContact OE2-CE 2.91Å; E144-K146 IonicContact OE2-NZ 3.83Å; E144-K146 PolarHBondContact OE2-NZ 2.99Å; E144-K152 HydrophobicContact CB-CB 4.44Å; E144-K152 PolarHBondContact N-O 3.43Å; E144-K152 PolarHBondContact O-N 2.84Å; E144-L154 HydrophobicContact CB-CD1 4.32Å; E144-L154 HydrophobicContact CB-CD2 3.91Å; E144-L154 HydrophobicContact CB-CG 4.25Å |
| 145 | M | 94.6 | Very high | 95.3 | Very high | 20 Ų | 20 | 27.8 Ų | 27.8 | 10% | 0.099 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 131.7 | 173.3 | -59.5 | -66.6 | -59.7 | 0 | 0 | 110.4 | P51 S52 F53 C143 G147 S150 A151 I190 | P51-M145 VanDerWaalsContact O-CB 3.25Å; P51-M145 WeakPolarHBondContact O-CB 3.46Å; P51-M145 VanDerWaalsContact O-CG 3.22Å; P51-M145 WeakPolarHBondContact O-CG 3.35Å; S52-M145 WeakPolarHBondContact O-CE 3.09Å; F53-M145 HydrophobicContact CD2-CB 3.54Å; F53-M145 HydrophobicContact CE2-CB 4.08Å; F53-M145 VanDerWaalsContact CE2-O 3.27Å; F53-M145 WeakPolarHBondContact CE2-O 3.46Å; F53-M145 HydrophobicContact CG-CB 4.47Å; C143-M145 PolarHBondContact O-N 3.44Å; M145-G147 WeakPolarHBondContact CE-O 2.96Å; M145-S150 WeakPolarHBondContact CA-O 3.16Å; M145-A151 HydrophobicContact CE-CB 4.44Å; M145-A151 HydrophobicContact SD-CB 3.61Å; M145-I190 HydrophobicContact CE-CB 4.49Å; M145-I190 WeakPolarHBondContact CE-O 2.76Å |
| 146 | K | 90.1 | Very high | 94.9 | Very high | 104 Ų | 104 | 28 Ų | 28 | 45% | 0.452 | 13% | 0.132 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | -6.4 | 170.1 | -62.6 | -61.2 | -175.7 | -171.7 | 0 | 113 | E144 S150 | E144-K146 WeakPolarHBondContact OE1-CE 3.28Å; E144-K146 IonicContact OE1-NZ 3.89Å; E144-K146 PolarHBondContact OE1-NZ 2.82Å; E144-K146 WeakPolarHBondContact OE2-CE 2.91Å; E144-K146 IonicContact OE2-NZ 3.83Å; E144-K146 PolarHBondContact OE2-NZ 2.99Å; K146-S150 PolarHBondContact N-O 2.89Å |
| 147 | G | 92.4 | Very high | 94.2 | Very high | 19 Ų | 19 | 28.1 Ų | 28.1 | 20% | 0.196 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 166.9 | 174.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | M145 R149 S150 | M145-G147 WeakPolarHBondContact CE-O 2.96Å; G147-R149 PolarHBondContact O-N 3.4Å; G147-S150 PolarHBondContact O-N 3.22Å; G147-S150 VanDerWaalsContact O-N 3.13Å |
| 148 | I | 93.8 | Very high | 93.2 | Very high | 15 Ų | 15 | 29.1 Ų | 29.1 | 8% | 0.077 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -20.9 | -172.2 | -160.5 | 170.1 | 0 | 0 | 0 | 114.4 | A189 I190 A467 L472 | I148-A189 HydrophobicContact CD1-CB 4.24Å; I148-A189 HydrophobicContact CG1-CB 3.95Å; I148-A189 CarbonylContact O-C 3.56Å; I148-A189 VanDerWaalsContact O-CA 3.31Å; I148-A189 WeakPolarHBondContact O-CA 3.4Å; I148-I190 PolarHBondContact O-N 2.89Å; I148-A467 HydrophobicContact CD1-CB 3.64Å; I148-L472 HydrophobicContact CD1-CD1 3.66Å; I148-L472 HydrophobicContact CG2-CB 4.12Å; I148-L472 HydrophobicContact CG2-CD1 4.43Å |
| 149 | R | 95.5 | Very high | 92.2 | Very high | 104 Ų | 104 | 30.5 Ų | 30.5 | 39% | 0.392 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.3 | 6.8 | 179.5 | -61.1 | -178.3 | -174.2 | 124.5 | -5.8 | 114.5 | G147 V187 N188 I190 L472 | G147-R149 PolarHBondContact O-N 3.4Å; R149-V187 WeakPolarHBondContact CD-O 3.33Å; R149-N188 VanDerWaalsContact CG-O 3.23Å; R149-N188 WeakPolarHBondContact CG-O 3.46Å; R149-N188 PolarHBondContact NE-O 2.73Å; R149-N188 PolarHBondContact NE-OD1 2.82Å; R149-N188 PolarHBondContact NH2-OD1 3.05Å; R149-I190 VanDerWaalsContact C-CD1 3.42Å; R149-I190 VanDerWaalsContact O-CD1 3.26Å; R149-I190 WeakPolarHBondContact O-CD1 3.02Å; R149-L472 VanDerWaalsContact NH1-C 3.33Å; R149-L472 PolarHBondContact NH1-O 3.13Å; R149-L472 PolarHBondContact NH1-OXT 3.21Å; R149-L472 VanDerWaalsContact NH1-OXT 3.13Å; R149-L472 PolarHBondContact NH2-O 2.87Å |
| 150 | S | 95.9 | Very high | 91.8 | Very high | 31 Ų | 31 | 30.3 Ų | 30.3 | 22% | 0.217 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 116.9 | -174.9 | 178 | 0 | 0 | 0 | 0 | 110.3 | M145 K146 G147 D169 | M145-S150 WeakPolarHBondContact CA-O 3.16Å; K146-S150 PolarHBondContact N-O 2.89Å; G147-S150 PolarHBondContact O-N 3.22Å; G147-S150 VanDerWaalsContact O-N 3.13Å; S150-D169 WeakPolarHBondContact CA-OD2 3.38Å; S150-D169 VanDerWaalsContact CB-OD2 3.23Å; S150-D169 WeakPolarHBondContact CB-OD2 3.33Å; S150-D169 PolarHBondContact OG-OD2 3.47Å |
| 151 | A | 97.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 113.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | C143 M145 D169 V170 I190 | C143-A151 HydrophobicContact CB-CB 4.06Å; M145-A151 HydrophobicContact CE-CB 4.44Å; M145-A151 HydrophobicContact SD-CB 3.61Å; A151-D169 PolarHBondContact N-OD1 3.18Å; A151-D169 CarbonylContact O-C 3.49Å; A151-D169 VanDerWaalsContact O-CA 3.31Å; A151-D169 WeakPolarHBondContact O-CA 3.48Å; A151-V170 HydrophobicContact CB-CG2 3.91Å; A151-V170 PolarHBondContact O-N 2.59Å; A151-I190 HydrophobicContact CB-CB 4.27Å; A151-I190 HydrophobicContact CB-CD1 4.07Å; A151-I190 HydrophobicContact CB-CG2 3.75Å |
| 152 | K | 97.5 | Very high | 91.6 | Very high | 79 Ų | 79 | 35 Ų | 35 | 34% | 0.343 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 120 | 177.2 | -69.3 | -172.2 | 178.4 | -171.9 | 0 | 110.6 | C143 E144 L154 Q168 | C143-K152 CarbonylContact C-O 3.27Å; C143-K152 WeakPolarHBondContact CA-O 3.22Å; E144-K152 HydrophobicContact CB-CB 4.44Å; E144-K152 PolarHBondContact N-O 3.43Å; E144-K152 PolarHBondContact O-N 2.84Å; K152-L154 PolarHBondContact O-N 3.34Å; K152-Q168 WeakPolarHBondContact CA-O 3.27Å |
| 153 | L | 97.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 127 | 175.2 | 176.5 | 60.3 | 0 | 0 | 0 | 110.9 | F139 W155 W156 C165 L166 N167 Q168 V170 | F139-L153 HydrophobicContact CE1-CB 4.49Å; F139-L153 HydrophobicContact CE1-CD1 3.84Å; F139-L153 HydrophobicContact CE1-CG 4.49Å; L153-W155 VanDerWaalsContact CD1-O 3.29Å; L153-W155 WeakPolarHBondContact CD1-O 3.5Å; L153-W156 HydrophobicContact CD2-CD2 3.75Å; L153-W156 HydrophobicContact CD2-CE3 4.17Å; L153-W156 HydrophobicContact CD2-CG 4.35Å; L153-W156 HydrophobicContact CD2-CH2 3.92Å; L153-W156 HydrophobicContact CD2-CZ2 3.41Å; L153-W156 VanDerWaalsContact CD2-CZ2 3.41Å; L153-W156 HydrophobicContact CD2-CZ3 4.26Å; L153-C165 HydrophobicContact CD2-CB 3.84Å; L153-L166 HydrophobicContact CD2-CD2 4.1Å; L153-L166 HydrophobicContact CG-CD2 4.21Å; L153-N167 WeakPolarHBondContact O-CA 3.48Å; L153-N167 PolarHBondContact O-N 3.41Å; L153-Q168 PolarHBondContact N-O 3.07Å; L153-Q168 VanDerWaalsContact N-O 3.14Å; L153-V170 HydrophobicContact CB-CG1 4.03Å |
| 154 | L | 94.2 | Very high | 91.4 | Very high | 49 Ų | 49 | 45.2 Ų | 45.2 | 26% | 0.257 | 23% | 0.225 | S | C | . | . | trans | -91.1 | -50.3 | 179.3 | -62.2 | 173.8 | 0 | 0 | 0 | 111.7 | L50 P142 E144 K152 | L50-L154 HydrophobicContact CD2-CD1 4.26Å; P142-L154 WeakPolarHBondContact O-CB 3.49Å; P142-L154 PolarHBondContact O-N 3.43Å; E144-L154 HydrophobicContact CB-CD1 4.32Å; E144-L154 HydrophobicContact CB-CD2 3.91Å; E144-L154 HydrophobicContact CB-CG 4.25Å; K152-L154 PolarHBondContact O-N 3.34Å | ||
| 155 | W | 92.2 | Very high | 91.5 | Very high | 64 Ų | 64 | 41.5 Ų | 41.5 | 24% | 0.242 | 21% | 0.207 | C | C | . | . | trans | -155.6 | 156.8 | 174.3 | 58.1 | 92.6 | 0 | 0 | 0 | 111.5 | P142 L153 E271 | P142-W155 HydrophobicContact CB-CD2 4.15Å; P142-W155 HydrophobicContact CB-CH2 3.93Å; P142-W155 HydrophobicContact CB-CZ2 3.54Å; P142-W155 HydrophobicContact CB-CZ3 4.44Å; P142-W155 HydrophobicContact CG-CD2 4.34Å; P142-W155 HydrophobicContact CG-CZ2 3.69Å; L153-W155 VanDerWaalsContact CD1-O 3.29Å; L153-W155 WeakPolarHBondContact CD1-O 3.5Å; W155-E271 HydrophobicContact CZ2-CG 4.48Å; W155-E271 PolarHBondContact NE1-OE1 3.26Å; W155-E271 VanDerWaalsContact NE1-OE1 3.14Å | ||
| 156 | W | 90.1 | Very high | 91.5 | Very high | 6 Ų | 6 | 44 Ų | 44 | 2% | 0.023 | 22% | 0.221 | C | C | . | . | trans | -80.4 | 151.8 | 172.8 | -69.4 | 112.9 | 0 | 0 | 0 | 112 | L111 F139 Y141 L153 F160 V162 C165 H295 | L111-W156 HydrophobicContact CD2-CH2 3.93Å; F139-W156 HydrophobicContact CE1-CZ3 4.45Å; F139-W156 HydrophobicContact CE2-CH2 4.16Å; F139-W156 HydrophobicContact CE2-CZ3 4.25Å; F139-W156 AromaticContact CZ-CH2 3.56Å; F139-W156 HydrophobicContact CZ-CH2 3.56Å; F139-W156 AromaticContact CZ-CZ3 3.63Å; F139-W156 HydrophobicContact CZ-CZ3 3.63Å; Y141-W156 AromaticContact CD1-CE3 3.65Å; Y141-W156 HydrophobicContact CD1-CE3 3.65Å; Y141-W156 HydrophobicContact CD1-CZ3 4.01Å; Y141-W156 HydrophobicContact CD2-CE3 4.3Å; Y141-W156 AromaticContact CD2-CZ3 3.82Å; Y141-W156 HydrophobicContact CD2-CZ3 3.82Å; Y141-W156 AromaticContact CE1-CE3 3.79Å; Y141-W156 HydrophobicContact CE1-CE3 3.79Å; Y141-W156 HydrophobicContact CE1-CZ3 4.01Å; Y141-W156 HydrophobicContact CE2-CE3 4.46Å; Y141-W156 AromaticContact CE2-CZ3 3.86Å; Y141-W156 HydrophobicContact CE2-CZ3 3.86Å; Y141-W156 AromaticContact CG-CE3 3.91Å; Y141-W156 HydrophobicContact CG-CE3 3.91Å; Y141-W156 AromaticContact CG-CZ3 3.91Å; Y141-W156 HydrophobicContact CG-CZ3 3.91Å; Y141-W156 AromaticContact CZ-CZ3 3.95Å; L153-W156 HydrophobicContact CD2-CD2 3.75Å; L153-W156 HydrophobicContact CD2-CE3 4.17Å; L153-W156 HydrophobicContact CD2-CG 4.35Å; L153-W156 HydrophobicContact CD2-CH2 3.92Å; L153-W156 HydrophobicContact CD2-CZ2 3.41Å; L153-W156 VanDerWaalsContact CD2-CZ2 3.41Å; L153-W156 HydrophobicContact CD2-CZ3 4.26Å; W156-F160 HydrophobicContact CB-CB 4.35Å; W156-F160 WeakPolarHBondContact CB-O 3.37Å; W156-F160 HydrophobicContact CD2-CB 3.85Å; W156-F160 HydrophobicContact CE3-CB 3.39Å; W156-F160 HydrophobicContact CE3-CD1 4.32Å; W156-F160 HydrophobicContact CE3-CG 4.13Å; W156-F160 HydrophobicContact CG-CB 4.29Å; W156-F160 HydrophobicContact CH2-CD1 4.39Å; W156-F160 HydrophobicContact CZ3-CB 3.9Å; W156-F160 AromaticContact CZ3-CD1 3.93Å; W156-F160 HydrophobicContact CZ3-CD1 3.93Å; W156-F160 HydrophobicContact CZ3-CG 4.16Å; W156-V162 HydrophobicContact CH2-CB 4.35Å; W156-V162 HydrophobicContact CH2-CG2 3.92Å; W156-V162 HydrophobicContact CZ2-CB 3.45Å; W156-V162 VanDerWaalsContact CZ2-CB 3.45Å; W156-V162 HydrophobicContact CZ2-CG1 4.44Å; W156-V162 HydrophobicContact CZ2-CG2 3.49Å; W156-V162 VanDerWaalsContact CZ2-CG2 3.49Å; W156-V162 VanDerWaalsContact NE1-N 3.14Å; W156-V162 PolarHBondContact NE1-O 3.31Å; W156-C165 HydrophobicContact CZ2-CB 3.53Å; W156-H295 PolarHBondContact O-CE1 2.83Å; W156-H295 PolarHBondContact O-NE2 2.87Å | ||
| 157 | T | 84.7 | Confident | 91.8 | Very high | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.012 | 23% | 0.227 | C | C | . | . | trans | -137.1 | -176.2 | 173.3 | 66.6 | 0 | 0 | 0 | 0 | 109.2 | Y141 P142 G159 F160 | Y141-T157 WeakPolarHBondContact CD1-OG1 3.33Å; Y141-T157 WeakPolarHBondContact CE1-O 3.49Å; P142-T157 HydrophobicContact CG-CG2 4.17Å; T157-G159 PolarHBondContact O-N 2.75Å; T157-F160 PolarHBondContact O-N 3.42Å; T157-F160 VanDerWaalsContact O-N 3.09Å | ||
| 158 | K | 76.9 | Confident | 92.1 | Very high | 20 Ų | 20 | 47.7 Ų | 47.7 | 9% | 0.087 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 22 | 167.6 | -58.5 | 165.7 | -176.4 | 166.7 | 0 | 114.7 | S140 Y141 D193 Y217 | S140-K158 PolarHBondContact O-NZ 3.18Å; Y141-K158 HydrophobicContact CE1-CB 4.37Å; K158-D193 IonicContact NZ-OD1 2.66Å; K158-Y217 HydrophobicContact CB-CD1 3.97Å; K158-Y217 HydrophobicContact CB-CE1 3.79Å; K158-Y217 HydrophobicContact CD-CD1 4.43Å; K158-Y217 HydrophobicContact CG-CD1 3.94Å; K158-Y217 HydrophobicContact CG-CE1 4.24Å |
| 159 | G | 76.5 | Confident | 92.3 | Very high | 29 Ų | 29 | 48.3 Ų | 48.3 | 30% | 0.299 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88 | 4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116 | T157 | T157-G159 PolarHBondContact O-N 2.75Š|
| 160 | F | 87.7 | Confident | 92.3 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | trans | -78.8 | 148.7 | 170.3 | -80.8 | -113.7 | 0 | 0 | 0 | 110.3 | L71 G73 V99 M104 L111 Y141 W156 T157 V162 | L71-F160 HydrophobicContact CD1-CE1 4.48Å; L71-F160 HydrophobicContact CD1-CZ 4.16Å; L71-F160 HydrophobicContact CD2-CE1 4.31Å; G73-F160 WeakPolarHBondContact O-CE2 3.43Å; G73-F160 VanDerWaalsContact O-CZ 3.22Å; G73-F160 WeakPolarHBondContact O-CZ 3.46Å; V99-F160 HydrophobicContact CG1-CZ 4.4Å; M104-F160 HydrophobicContact CB-CD1 4.2Å; M104-F160 HydrophobicContact CB-CE1 4.19Å; M104-F160 HydrophobicContact CB-CG 4.42Å; M104-F160 HydrophobicContact CB-CZ 4.39Å; M104-F160 HydrophobicContact CE-CD2 3.71Å; M104-F160 HydrophobicContact CE-CE2 3.52Å; M104-F160 HydrophobicContact CE-CZ 4.2Å; M104-F160 HydrophobicContact CG-CD1 4.38Å; M104-F160 HydrophobicContact CG-CD2 4.5Å; M104-F160 HydrophobicContact CG-CE1 3.9Å; M104-F160 HydrophobicContact CG-CE2 4.01Å; M104-F160 HydrophobicContact CG-CZ 3.7Å; M104-F160 HydrophobicContact SD-CE2 4.34Å; M104-F160 HydrophobicContact SD-CZ 4.49Å; L111-F160 HydrophobicContact CD1-CE1 4.21Å; Y141-F160 HydrophobicContact CE1-CB 4.07Å; Y141-F160 AromaticContact CE1-CD2 3.98Å; Y141-F160 HydrophobicContact CE1-CD2 3.98Å; Y141-F160 HydrophobicContact CE1-CG 4.03Å; Y141-F160 AromaticContact CZ-CD2 3.81Å; Y141-F160 AromaticContact CZ-CG 3.9Å; Y141-F160 WeakPolarHBondContact OH-CD2 3.36Å; Y141-F160 WeakPolarHBondContact OH-CE2 3.47Å; Y141-F160 WeakPolarHBondContact OH-CG 3.37Å; Y141-F160 VanDerWaalsContact OH-CZ 3.28Å; Y141-F160 WeakPolarHBondContact OH-CZ 3.23Å; W156-F160 HydrophobicContact CB-CB 4.35Å; W156-F160 WeakPolarHBondContact CB-O 3.37Å; W156-F160 HydrophobicContact CD2-CB 3.85Å; W156-F160 HydrophobicContact CE3-CB 3.39Å; W156-F160 HydrophobicContact CE3-CD1 4.32Å; W156-F160 HydrophobicContact CE3-CG 4.13Å; W156-F160 HydrophobicContact CG-CB 4.29Å; W156-F160 HydrophobicContact CH2-CD1 4.39Å; W156-F160 HydrophobicContact CZ3-CB 3.9Å; W156-F160 AromaticContact CZ3-CD1 3.93Å; W156-F160 HydrophobicContact CZ3-CD1 3.93Å; W156-F160 HydrophobicContact CZ3-CG 4.16Å; T157-F160 PolarHBondContact O-N 3.42Å; T157-F160 VanDerWaalsContact O-N 3.09Å; F160-V162 HydrophobicContact CD1-CG2 4.31Å | ||
| 161 | N | 88.7 | Confident | 92.4 | Very high | 100 Ų | 100 | 42 Ų | 42 | 54% | 0.535 | 21% | 0.214 | S | C | . | . | trans | -159.2 | 71.9 | 170.3 | -170.6 | 38.2 | 0 | 0 | 0 | 109.9 | M104 | M104-N161 PolarHBondContact O-N 3.27Š| ||
| 162 | V | 93.4 | Very high | 92.4 | Very high | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.012 | 24% | 0.238 | C | C | . | . | trans | -86.2 | 128.7 | -178.2 | -172.2 | 0 | 0 | 0 | 0 | 109.8 | G106 G108 L111 W156 F160 D164 C165 | G106-V162 WeakPolarHBondContact O-CA 3.5Å; G106-V162 VanDerWaalsContact O-CG1 3.23Å; G106-V162 WeakPolarHBondContact O-CG1 3.29Å; G108-V162 VanDerWaalsContact N-CG1 3.26Å; L111-V162 HydrophobicContact CD2-CG2 4.16Å; W156-V162 HydrophobicContact CH2-CB 4.35Å; W156-V162 HydrophobicContact CH2-CG2 3.92Å; W156-V162 HydrophobicContact CZ2-CB 3.45Å; W156-V162 VanDerWaalsContact CZ2-CB 3.45Å; W156-V162 HydrophobicContact CZ2-CG1 4.44Å; W156-V162 HydrophobicContact CZ2-CG2 3.49Å; W156-V162 VanDerWaalsContact CZ2-CG2 3.49Å; W156-V162 VanDerWaalsContact NE1-N 3.14Å; W156-V162 PolarHBondContact NE1-O 3.31Å; F160-V162 HydrophobicContact CD1-CG2 4.31Å; V162-D164 PolarHBondContact O-N 3.11Å; V162-C165 HydrophobicContact CB-CB 4.45Å; V162-C165 WeakPolarHBondContact CG1-SG 3.39Å | ||
| 163 | E | 91 | Very high | 92.5 | Very high | 153 Ų | 153 | 44.8 Ų | 44.8 | 72% | 0.715 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -37.2 | -159.8 | -64.2 | -177.2 | 167.1 | 0 | 0 | 115.2 | G106 | G106-E163 PolarHBondContact O-N 2.87Š|
| 164 | D | 95 | Very high | 92.5 | Very high | 73 Ų | 73 | 44.8 Ų | 44.8 | 39% | 0.39 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120 | 15.9 | -165.8 | 61.4 | -15.8 | 0 | 0 | 0 | 113.5 | G108 V162 Q168 | G108-D164 WeakPolarHBondContact CA-OD1 3.3Å; G108-D164 PolarHBondContact N-OD1 3.15Å; V162-D164 PolarHBondContact O-N 3.11Å; D164-Q168 WeakPolarHBondContact O-CG 3.47Å |
| 165 | C | 96.3 | Very high | 92.7 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.007 | 23% | 0.226 | C | C | . | . | trans | -95 | -19.2 | 179.9 | -67.5 | 0 | 0 | 0 | 0 | 114.1 | G108 L153 W156 V162 N167 Q168 | G108-C165 WeakPolarHBondContact CA-SG 3.31Å; L153-C165 HydrophobicContact CD2-CB 3.84Å; W156-C165 HydrophobicContact CZ2-CB 3.53Å; V162-C165 HydrophobicContact CB-CB 4.45Å; V162-C165 WeakPolarHBondContact CG1-SG 3.39Å; C165-N167 PolarHBondContact O-N 3.1Å; C165-Q168 WeakPolarHBondContact O-CB 3.28Å; C165-Q168 PolarHBondContact O-N 3.32Å | ||
| 166 | L | 95.8 | Very high | 93 | Very high | 73 Ų | 73 | 45.4 Ų | 45.4 | 38% | 0.382 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | 133.4 | -178.6 | -65.4 | -178.8 | 0 | 0 | 0 | 110.7 | L153 Q168 | L153-L166 HydrophobicContact CD2-CD2 4.1Å; L153-L166 HydrophobicContact CG-CD2 4.21Å; L166-Q168 PolarHBondContact O-N 2.55Å; L166-Q168 VanDerWaalsContact O-N 3.15Å; L166-Q168 PolarHBondContact O-NE2 2.84Å |
| 167 | N | 96.1 | Very high | 93.4 | Very high | 107 Ų | 107 | 45.1 Ų | 45.1 | 57% | 0.572 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.5 | 9.5 | -175 | -54.6 | -69.7 | 0 | 0 | 0 | 115.4 | L153 C165 | L153-N167 WeakPolarHBondContact O-CA 3.48Å; L153-N167 PolarHBondContact O-N 3.41Å; C165-N167 PolarHBondContact O-N 3.1Å |
| 168 | Q | 97.7 | Very high | 94.1 | Very high | 94 Ų | 94 | 45 Ų | 45 | 44% | 0.439 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -90.3 | 153.9 | 173.5 | -56.1 | -49.7 | -54.5 | 0 | 0 | 111.1 | K152 L153 D164 C165 L166 V170 M173 | K152-Q168 WeakPolarHBondContact CA-O 3.27Å; L153-Q168 PolarHBondContact N-O 3.07Å; L153-Q168 VanDerWaalsContact N-O 3.14Å; D164-Q168 WeakPolarHBondContact O-CG 3.47Å; C165-Q168 WeakPolarHBondContact O-CB 3.28Å; C165-Q168 PolarHBondContact O-N 3.32Å; L166-Q168 PolarHBondContact O-N 2.55Å; L166-Q168 VanDerWaalsContact O-N 3.15Å; L166-Q168 PolarHBondContact O-NE2 2.84Å; Q168-V170 PolarHBondContact O-N 3.28Å; Q168-M173 HydrophobicContact CB-SD 3.59Å; Q168-M173 VanDerWaalsContact CB-SD 3.59Å; Q168-M173 HydrophobicContact CG-SD 4.34Å |
| 169 | D | 97.9 | Very high | 95.1 | Very high | 27 Ų | 27 | 48.7 Ų | 48.7 | 14% | 0.144 | 25% | 0.252 | C | S | . | . | B | Isolated β-bridge | trans | -80.1 | 105.7 | 175.6 | -169.8 | -36.2 | 0 | 0 | 0 | 110.5 | S150 A151 G171 Q172 M173 | S150-D169 WeakPolarHBondContact CA-OD2 3.38Å; S150-D169 VanDerWaalsContact CB-OD2 3.23Å; S150-D169 WeakPolarHBondContact CB-OD2 3.33Å; S150-D169 PolarHBondContact OG-OD2 3.47Å; A151-D169 PolarHBondContact N-OD1 3.18Å; A151-D169 CarbonylContact O-C 3.49Å; A151-D169 VanDerWaalsContact O-CA 3.31Å; A151-D169 WeakPolarHBondContact O-CA 3.48Å; D169-G171 PolarHBondContact O-N 2.91Å; D169-G171 WeakPolarHBondContact OD1-CA 3.33Å; D169-G171 PolarHBondContact OD1-N 3.13Å; D169-Q172 HydrophobicContact CB-CB 3.92Å; D169-Q172 PolarHBondContact O-N 3.35Å; D169-Q172 PolarHBondContact OD1-N 3.03Å; D169-Q172 VanDerWaalsContact OD1-N 3.15Å; D169-M173 VanDerWaalsContact O-CG 3.3Å; D169-M173 WeakPolarHBondContact O-CG 3.25Å; D169-M173 PolarHBondContact O-N 2.91Å |
| 170 | V | 97.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -68.2 | -23.4 | -176.3 | -59.4 | 0 | 0 | 0 | 0 | 112.7 | F112 F137 F139 A151 L153 Q168 L174 I190 | F112-V170 HydrophobicContact CZ-CB 3.97Å; F112-V170 HydrophobicContact CZ-CG1 4.25Å; F137-V170 HydrophobicContact CE1-CB 4.39Å; F137-V170 HydrophobicContact CE1-CG2 4.24Å; F139-V170 HydrophobicContact CB-CG2 4.48Å; F139-V170 HydrophobicContact CD1-CB 4.46Å; F139-V170 HydrophobicContact CD1-CG1 4.25Å; F139-V170 HydrophobicContact CD1-CG2 3.94Å; F139-V170 HydrophobicContact CE1-CB 4.36Å; F139-V170 HydrophobicContact CE1-CG1 3.72Å; F139-V170 HydrophobicContact CE1-CG2 4.27Å; F139-V170 HydrophobicContact CE2-CG1 4.43Å; F139-V170 HydrophobicContact CG-CG2 4.11Å; F139-V170 HydrophobicContact CZ-CB 4.43Å; F139-V170 HydrophobicContact CZ-CG1 3.81Å; A151-V170 HydrophobicContact CB-CG2 3.91Å; A151-V170 PolarHBondContact O-N 2.59Å; L153-V170 HydrophobicContact CB-CG1 4.03Å; Q168-V170 PolarHBondContact O-N 3.28Å; V170-L174 WeakPolarHBondContact O-CB 3.37Å; V170-L174 PolarHBondContact O-N 3.42Å; V170-I190 HydrophobicContact CG2-CG2 4.34Å |
| 171 | G | 97.5 | Very high | 96.5 | Very high | 3 Ų | 3 | 56.1 Ų | 56.1 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.4 | -48.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112 | D169 L174 Q175 | D169-G171 PolarHBondContact O-N 2.91Å; D169-G171 WeakPolarHBondContact OD1-CA 3.33Å; D169-G171 PolarHBondContact OD1-N 3.13Å; G171-L174 PolarHBondContact O-N 3.02Å; G171-Q175 WeakPolarHBondContact O-CB 3.31Å; G171-Q175 PolarHBondContact O-N 3.28Å |
| 172 | Q | 97.9 | Very high | 96.9 | Very high | 110 Ų | 110 | 60.2 Ų | 60.2 | 51% | 0.514 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.2 | -46.6 | 175 | -174.7 | -177.7 | -17.4 | 0 | 0 | 110.8 | D169 L174 Q175 E176 | D169-Q172 HydrophobicContact CB-CB 3.92Å; D169-Q172 PolarHBondContact O-N 3.35Å; D169-Q172 PolarHBondContact OD1-N 3.03Å; D169-Q172 VanDerWaalsContact OD1-N 3.15Å; Q172-L174 VanDerWaalsContact C-N 3.31Å; Q172-L174 PolarHBondContact O-N 3.33Å; Q172-Q175 PolarHBondContact O-N 3.42Å; Q172-Q175 VanDerWaalsContact O-N 3.16Å; Q172-E176 HydrophobicContact CG-CG 4.29Å; Q172-E176 WeakPolarHBondContact CG-OE1 3.45Å; Q172-E176 PolarHBondContact NE2-OE1 2.85Å; Q172-E176 WeakPolarHBondContact O-CB 3.37Å; Q172-E176 VanDerWaalsContact O-CG 3.31Å; Q172-E176 WeakPolarHBondContact O-CG 3.47Å; Q172-E176 PolarHBondContact O-N 3.48Å |
| 173 | M | 98.3 | Very high | 97.1 | Very high | 28 Ų | 28 | 60.7 Ų | 60.7 | 14% | 0.138 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60 | -40.7 | 179.8 | -65.9 | 177.3 | 85.7 | 0 | 0 | 112.4 | F112 Q168 D169 A177 | F112-M173 HydrophobicContact CD2-CB 3.58Å; F112-M173 HydrophobicContact CD2-CE 4.04Å; F112-M173 HydrophobicContact CD2-SD 4.39Å; F112-M173 HydrophobicContact CE1-CB 4.38Å; F112-M173 HydrophobicContact CE2-CB 3.46Å; F112-M173 VanDerWaalsContact CE2-CB 3.46Å; F112-M173 HydrophobicContact CE2-CE 3.77Å; F112-M173 HydrophobicContact CE2-CG 4.18Å; F112-M173 HydrophobicContact CE2-SD 3.69Å; F112-M173 HydrophobicContact CG-CB 4.16Å; F112-M173 HydrophobicContact CZ-CB 3.89Å; F112-M173 HydrophobicContact CZ-SD 4.39Å; Q168-M173 HydrophobicContact CB-SD 3.59Å; Q168-M173 VanDerWaalsContact CB-SD 3.59Å; Q168-M173 HydrophobicContact CG-SD 4.34Å; D169-M173 VanDerWaalsContact O-CG 3.3Å; D169-M173 WeakPolarHBondContact O-CG 3.25Å; D169-M173 PolarHBondContact O-N 2.91Å; M173-A177 PolarHBondContact O-N 3.38Å |
| 174 | L | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.4 | -44.5 | 174.2 | 179.9 | 59.4 | 0 | 0 | 0 | 111.8 | F112 M115 V116 L135 F137 V170 G171 Q172 E176 A177 L178 V187 | F112-L174 HydrophobicContact CD1-CB 3.81Å; F112-L174 HydrophobicContact CD1-CD1 4.1Å; F112-L174 HydrophobicContact CE1-CB 4.01Å; M115-L174 HydrophobicContact CE-CD1 4.41Å; V116-L174 HydrophobicContact CG2-CD1 3.85Å; L135-L174 HydrophobicContact CD2-CD2 3.89Å; F137-L174 HydrophobicContact CB-CD2 4.09Å; F137-L174 HydrophobicContact CD1-CD2 3.49Å; F137-L174 VanDerWaalsContact CD1-CD2 3.49Å; F137-L174 HydrophobicContact CD2-CD2 3.96Å; F137-L174 HydrophobicContact CE1-CB 4.33Å; F137-L174 HydrophobicContact CE1-CD2 3.8Å; F137-L174 HydrophobicContact CE2-CD2 4.28Å; F137-L174 HydrophobicContact CG-CD2 3.57Å; F137-L174 HydrophobicContact CZ-CD2 4.18Å; V170-L174 WeakPolarHBondContact O-CB 3.37Å; V170-L174 PolarHBondContact O-N 3.42Å; G171-L174 PolarHBondContact O-N 3.02Å; Q172-L174 VanDerWaalsContact C-N 3.31Å; Q172-L174 PolarHBondContact O-N 3.33Å; L174-E176 VanDerWaalsContact C-N 3.34Å; L174-E176 PolarHBondContact O-N 3.07Å; L174-A177 WeakPolarHBondContact O-CB 3.47Å; L174-A177 PolarHBondContact O-N 2.88Å; L174-A177 VanDerWaalsContact O-N 3.15Å; L174-L178 HydrophobicContact CG-CD1 4.32Å; L174-L178 WeakPolarHBondContact O-CG 3.44Å; L174-L178 PolarHBondContact O-N 3.14Å; L174-V187 HydrophobicContact CB-CG2 4.26Å; L174-V187 HydrophobicContact CD2-CG2 3.87Å; L174-V187 HydrophobicContact CG-CG2 3.94Å |
| 175 | Q | 98.5 | Very high | 97.6 | Very high | 45 Ų | 45 | 56 Ų | 56 | 21% | 0.21 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.3 | -42.6 | 178 | -172.1 | 61.6 | 61.8 | 0 | 0 | 111.7 | G171 Q172 A177 L178 D179 V185 V187 | G171-Q175 WeakPolarHBondContact O-CB 3.31Å; G171-Q175 PolarHBondContact O-N 3.28Å; Q172-Q175 PolarHBondContact O-N 3.42Å; Q172-Q175 VanDerWaalsContact O-N 3.16Å; Q175-A177 VanDerWaalsContact C-N 3.28Å; Q175-A177 PolarHBondContact O-N 2.86Å; Q175-L178 WeakPolarHBondContact O-CB 3.19Å; Q175-L178 PolarHBondContact O-N 3.17Å; Q175-D179 PolarHBondContact NE2-OD1 3.27Å; Q175-D179 WeakPolarHBondContact O-CB 3.33Å; Q175-D179 PolarHBondContact O-N 2.98Å; Q175-V185 PolarHBondContact NE2-O 2.99Å; Q175-V187 HydrophobicContact CB-CG2 4.28Å |
| 176 | E | 98.4 | Very high | 97.6 | Very high | 80 Ų | 80 | 62.7 Ų | 62.7 | 37% | 0.374 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.5 | -37.1 | 175.4 | -72.1 | 174.5 | -176.8 | 0 | 0 | 112 | Q172 L174 D179 R180 | Q172-E176 HydrophobicContact CG-CG 4.29Å; Q172-E176 WeakPolarHBondContact CG-OE1 3.45Å; Q172-E176 PolarHBondContact NE2-OE1 2.85Å; Q172-E176 WeakPolarHBondContact O-CB 3.37Å; Q172-E176 VanDerWaalsContact O-CG 3.31Å; Q172-E176 WeakPolarHBondContact O-CG 3.47Å; Q172-E176 PolarHBondContact O-N 3.48Å; L174-E176 VanDerWaalsContact C-N 3.34Å; L174-E176 PolarHBondContact O-N 3.07Å; E176-D179 PolarHBondContact O-N 3.01Å; E176-R180 WeakPolarHBondContact O-CB 3.42Å; E176-R180 VanDerWaalsContact O-CG 3.28Å; E176-R180 WeakPolarHBondContact O-CG 3.2Å; E176-R180 PolarHBondContact O-N 3.06Å; E176-R180 PolarHBondContact O-NH1 3.15Å |
| 177 | A | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.9 | -40.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F112 V116 M173 L174 Q175 R180 K181 | F112-A177 HydrophobicContact CB-CB 3.81Å; V116-A177 HydrophobicContact CB-CB 4.37Å; V116-A177 HydrophobicContact CG2-CB 3.57Å; M173-A177 PolarHBondContact O-N 3.38Å; L174-A177 WeakPolarHBondContact O-CB 3.47Å; L174-A177 PolarHBondContact O-N 2.88Å; L174-A177 VanDerWaalsContact O-N 3.15Å; Q175-A177 VanDerWaalsContact C-N 3.28Å; Q175-A177 PolarHBondContact O-N 2.86Å; A177-R180 VanDerWaalsContact CB-NH2 3.33Å; A177-K181 PolarHBondContact O-N 2.8Å |
| 178 | L | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.9 | -46.1 | 173.5 | -68.1 | 167.6 | 0 | 0 | 0 | 110.9 | V116 L119 L135 L174 Q175 K181 K182 I183 V185 V187 | V116-L178 HydrophobicContact CG1-CD2 4.04Å; V116-L178 HydrophobicContact CG2-CD2 3.86Å; V116-L178 HydrophobicContact CG2-CG 4.03Å; L119-L178 HydrophobicContact CD2-CD2 3.56Å; L135-L178 HydrophobicContact CD2-CD1 4.37Å; L174-L178 HydrophobicContact CG-CD1 4.32Å; L174-L178 WeakPolarHBondContact O-CG 3.44Å; L174-L178 PolarHBondContact O-N 3.14Å; Q175-L178 WeakPolarHBondContact O-CB 3.19Å; Q175-L178 PolarHBondContact O-N 3.17Å; L178-K181 CarbonylContact O-C 3.38Å; L178-K181 PolarHBondContact O-N 3.47Å; L178-K182 PolarHBondContact O-N 3.33Å; L178-I183 HydrophobicContact CD2-CB 4.23Å; L178-I183 HydrophobicContact CD2-CG2 4.32Å; L178-I183 PolarHBondContact O-N 3.18Å; L178-V185 HydrophobicContact CD1-CB 4.31Å; L178-V185 HydrophobicContact CD1-CG1 4.09Å; L178-V185 HydrophobicContact CD2-CB 4.14Å; L178-V185 HydrophobicContact CD2-CG1 4.39Å; L178-V187 HydrophobicContact CD1-CG2 4Å |
| 179 | D | 98.2 | Very high | 97.8 | Very high | 97 Ų | 97 | 50.6 Ų | 50.6 | 52% | 0.519 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -66.2 | -43 | -179.3 | -66.5 | -9.9 | 0 | 0 | 0 | 111.8 | Q175 E176 K181 K182 | Q175-D179 PolarHBondContact NE2-OD1 3.27Å; Q175-D179 WeakPolarHBondContact O-CB 3.33Å; Q175-D179 PolarHBondContact O-N 2.98Å; E176-D179 PolarHBondContact O-N 3.01Å; D179-K181 PolarHBondContact O-N 3.38Å; D179-K182 PolarHBondContact O-N 3.13Å |
| 180 | R | 97.7 | Very high | 97.8 | Very high | 113 Ų | 113 | 49.4 Ų | 49.4 | 43% | 0.426 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -54.8 | -39.5 | 174.3 | -81.2 | -169.1 | -59.6 | -87.2 | 7.6 | 111.8 | D113 E176 A177 | D113-R180 IonicContact OD1-CZ 3.12Å; D113-R180 IonicContact OD1-NE 2.97Å; D113-R180 PolarHBondContact OD1-NE 3.36Å; D113-R180 IonicContact OD1-NH2 3.77Å; D113-R180 PolarHBondContact OD1-NH2 3.32Å; E176-R180 WeakPolarHBondContact O-CB 3.42Å; E176-R180 VanDerWaalsContact O-CG 3.28Å; E176-R180 WeakPolarHBondContact O-CG 3.2Å; E176-R180 PolarHBondContact O-N 3.06Å; E176-R180 PolarHBondContact O-NH1 3.15Å; A177-R180 VanDerWaalsContact CB-NH2 3.33Å |
| 181 | K | 96.5 | Very high | 97.8 | Very high | 72 Ų | 72 | 49.6 Ų | 49.6 | 31% | 0.313 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 0.1 | 177.7 | -75 | -171.3 | 149.4 | -141.8 | 0 | 114.3 | V116 S117 E120 A177 L178 D179 I183 | V116-K181 HydrophobicContact CB-CD 4.16Å; V116-K181 HydrophobicContact CG1-CB 3.98Å; V116-K181 HydrophobicContact CG1-CD 3.46Å; V116-K181 VanDerWaalsContact CG1-CD 3.46Å; V116-K181 HydrophobicContact CG1-CG 4.15Å; S117-K181 WeakPolarHBondContact OG-CE 3.42Å; S117-K181 PolarHBondContact OG-NZ 3.06Å; E120-K181 IonicContact OE2-NZ 3.85Å; E120-K181 PolarHBondContact OE2-NZ 2.95Å; A177-K181 PolarHBondContact O-N 2.8Å; L178-K181 CarbonylContact O-C 3.38Å; L178-K181 PolarHBondContact O-N 3.47Å; D179-K181 PolarHBondContact O-N 3.38Å; K181-I183 HydrophobicContact CB-CD1 4.24Å; K181-I183 HydrophobicContact CB-CG1 3.95Å; K181-I183 PolarHBondContact O-N 3.36Å |
| 182 | K | 96.7 | Very high | 97.8 | Very high | 187 Ų | 187 | 49.9 Ų | 49.9 | 81% | 0.813 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 35.2 | -179.9 | -54.1 | 178.6 | -179.7 | 177.9 | 0 | 113.2 | L178 D179 | L178-K182 PolarHBondContact O-N 3.33Å; D179-K182 PolarHBondContact O-N 3.13Å |
| 183 | I | 97.3 | Very high | 97.7 | Very high | 11 Ų | 11 | 45.1 Ų | 45.1 | 6% | 0.056 | 20% | 0.2 | C | C | . | . | trans | -83.2 | 131.5 | 176.5 | -57 | -170.3 | 0 | 0 | 0 | 108.6 | V116 E120 L123 L178 K181 V185 | V116-I183 HydrophobicContact CG1-CD1 3.47Å; V116-I183 VanDerWaalsContact CG1-CD1 3.47Å; V116-I183 HydrophobicContact CG1-CG1 4.34Å; E120-I183 HydrophobicContact CB-CD1 3.68Å; E120-I183 HydrophobicContact CG-CD1 3.99Å; L123-I183 HydrophobicContact CD1-CG2 3.76Å; L178-I183 HydrophobicContact CD2-CB 4.23Å; L178-I183 HydrophobicContact CD2-CG2 4.32Å; L178-I183 PolarHBondContact O-N 3.18Å; K181-I183 HydrophobicContact CB-CD1 4.24Å; K181-I183 HydrophobicContact CB-CG1 3.95Å; K181-I183 PolarHBondContact O-N 3.36Å; I183-V185 HydrophobicContact CG2-CB 4.07Å; I183-V185 HydrophobicContact CG2-CG2 3.67Å; I183-V185 PolarHBondContact O-N 2.81Å | ||
| 184 | R | 97 | Very high | 97.6 | Very high | 126 Ų | 126 | 43.8 Ų | 43.8 | 48% | 0.475 | 19% | 0.194 | S | C | . | . | trans | -78.3 | 49.9 | -178.2 | -63.7 | -171.2 | -173.8 | -172.1 | 4.2 | 113 | E130 E132 L133 | E130-R184 IonicContact OE2-CZ 3.89Å; E130-R184 IonicContact OE2-NE 3.96Å; E130-R184 IonicContact OE2-NH2 3.7Å; E132-R184 VanDerWaalsContact CA-O 3.31Å; E132-R184 WeakPolarHBondContact CA-O 3.33Å; E132-R184 HydrophobicContact CG-CB 4.14Å; L133-R184 PolarHBondContact N-O 3.42Å; L133-R184 VanDerWaalsContact N-O 3.08Å | ||
| 185 | V | 98.5 | Very high | 97.6 | Very high | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.012 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 136.7 | -179.8 | 173.1 | 0 | 0 | 0 | 0 | 108.9 | L67 L119 L123 L133 L135 Q175 L178 I183 | L67-V185 HydrophobicContact CD1-CB 4.5Å; L67-V185 HydrophobicContact CD1-CG1 4.04Å; L67-V185 HydrophobicContact CD1-CG2 3.56Å; L119-V185 HydrophobicContact CD2-CG1 4.41Å; L119-V185 HydrophobicContact CD2-CG2 4.36Å; L123-V185 HydrophobicContact CD1-CG2 4.05Å; L133-V185 HydrophobicContact CB-CG2 4.26Å; L133-V185 WeakPolarHBondContact O-CA 3.46Å; L135-V185 HydrophobicContact CB-CG1 3.55Å; L135-V185 HydrophobicContact CD2-CG1 3.98Å; L135-V185 HydrophobicContact CG-CG1 4.29Å; Q175-V185 PolarHBondContact NE2-O 2.99Å; L178-V185 HydrophobicContact CD1-CB 4.31Å; L178-V185 HydrophobicContact CD1-CG1 4.09Å; L178-V185 HydrophobicContact CD2-CB 4.14Å; L178-V185 HydrophobicContact CD2-CG1 4.39Å; I183-V185 HydrophobicContact CG2-CB 4.07Å; I183-V185 HydrophobicContact CG2-CG2 3.67Å; I183-V185 PolarHBondContact O-N 2.81Å |
| 186 | K | 98.1 | Very high | 97.6 | Very high | 141 Ų | 141 | 41.7 Ų | 41.7 | 61% | 0.613 | 18% | 0.184 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 129.7 | 177.2 | -68.2 | -178.4 | -178.4 | 171.5 | 0 | 110.4 | L133 L135 N188 | L133-K186 PolarHBondContact O-N 3.17Å; L135-K186 WeakPolarHBondContact CB-O 3.17Å; L135-K186 PolarHBondContact N-O 2.96Å; K186-N188 PolarHBondContact O-N 2.83Å; K186-N188 VanDerWaalsContact O-N 3.08Å |
| 187 | V | 98.1 | Very high | 97.5 | Very high | 12 Ų | 12 | 38 Ų | 38 | 7% | 0.073 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 107.7 | 171.3 | -177.1 | 0 | 0 | 0 | 0 | 108.1 | L135 F137 R149 L174 Q175 L178 I190 | L135-V187 HydrophobicContact CD2-CG2 4.33Å; F137-V187 HydrophobicContact CB-CG1 4.45Å; R149-V187 WeakPolarHBondContact CD-O 3.33Å; L174-V187 HydrophobicContact CB-CG2 4.26Å; L174-V187 HydrophobicContact CD2-CG2 3.87Å; L174-V187 HydrophobicContact CG-CG2 3.94Å; Q175-V187 HydrophobicContact CB-CG2 4.28Å; L178-V187 HydrophobicContact CD1-CG2 4Å; V187-I190 HydrophobicContact CG1-CD1 4.21Å; V187-I190 HydrophobicContact CG1-CG1 3.74Å |
| 188 | N | 96.9 | Very high | 97.5 | Very high | 8 Ų | 8 | 38 Ų | 38 | 4% | 0.043 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | -27.6 | -174.7 | -161.1 | 42.9 | 0 | 0 | 0 | 113 | L135 R149 K186 A464 E468 | L135-N188 PolarHBondContact O-N 3.45Å; R149-N188 VanDerWaalsContact CG-O 3.23Å; R149-N188 WeakPolarHBondContact CG-O 3.46Å; R149-N188 PolarHBondContact NE-O 2.73Å; R149-N188 PolarHBondContact NE-OD1 2.82Å; R149-N188 PolarHBondContact NH2-OD1 3.05Å; K186-N188 PolarHBondContact O-N 2.83Å; K186-N188 VanDerWaalsContact O-N 3.08Å; N188-A464 HydrophobicContact CB-CB 4.41Å; N188-A464 PolarHBondContact ND2-O 2.79Å; N188-E468 PolarHBondContact ND2-N 3.36Å |
| 189 | A | 97.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 147.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | L135 F137 I148 M191 I463 | L135-A189 PolarHBondContact O-N 2.85Å; F137-A189 PolarHBondContact N-O 3.05Å; I148-A189 HydrophobicContact CD1-CB 4.24Å; I148-A189 HydrophobicContact CG1-CB 3.95Å; I148-A189 CarbonylContact O-C 3.56Å; I148-A189 VanDerWaalsContact O-CA 3.31Å; I148-A189 WeakPolarHBondContact O-CA 3.4Å; A189-M191 HydrophobicContact CB-CE 3.51Å; A189-I463 HydrophobicContact CB-CG2 3.79Å |
| 190 | I | 98 | Very high | 97.3 | Very high | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 141 | 173.4 | -52 | 164.8 | 0 | 0 | 0 | 107.3 | F137 F139 M145 I148 R149 A151 V170 V187 | F137-I190 HydrophobicContact CB-CG1 4.4Å; F137-I190 HydrophobicContact CD1-CG1 4.37Å; F137-I190 HydrophobicContact CD1-CG2 4.17Å; F137-I190 CarbonylContact O-C 3.25Å; F137-I190 VanDerWaalsContact O-CA 3.3Å; F137-I190 WeakPolarHBondContact O-CA 3.19Å; F139-I190 HydrophobicContact CB-CG2 4.46Å; M145-I190 HydrophobicContact CE-CB 4.49Å; M145-I190 WeakPolarHBondContact CE-O 2.76Å; I148-I190 PolarHBondContact O-N 2.89Å; R149-I190 VanDerWaalsContact C-CD1 3.42Å; R149-I190 VanDerWaalsContact O-CD1 3.26Å; R149-I190 WeakPolarHBondContact O-CD1 3.02Å; A151-I190 HydrophobicContact CB-CB 4.27Å; A151-I190 HydrophobicContact CB-CD1 4.07Å; A151-I190 HydrophobicContact CB-CG2 3.75Å; V170-I190 HydrophobicContact CG2-CG2 4.34Å; V187-I190 HydrophobicContact CG1-CD1 4.21Å; V187-I190 HydrophobicContact CG1-CG1 3.74Å |
| 191 | M | 97.6 | Very high | 97.2 | Very high | 4 Ų | 4 | 28 Ų | 28 | 2% | 0.02 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.8 | 162.8 | -178.5 | 64.5 | -141.3 | 77.3 | 0 | 0 | 111.9 | F137 V138 F139 A189 V195 A196 A460 I463 | F137-M191 PolarHBondContact O-N 2.72Å; V138-M191 WeakPolarHBondContact CA-O 3.36Å; V138-M191 HydrophobicContact CG2-CG 4.3Å; F139-M191 PolarHBondContact N-O 3.45Å; A189-M191 HydrophobicContact CB-CE 3.51Å; M191-V195 HydrophobicContact CB-CB 4.09Å; M191-V195 HydrophobicContact CB-CG1 4.03Å; M191-A196 HydrophobicContact CG-CB 4Å; M191-A196 HydrophobicContact SD-CB 4.01Å; M191-A460 HydrophobicContact CE-CB 4.17Å; M191-A460 HydrophobicContact SD-CB 3.72Å; M191-I463 HydrophobicContact CE-CB 4.06Å; M191-I463 HydrophobicContact CE-CG2 3.72Å; M191-I463 HydrophobicContact SD-CB 3.76Å; M191-I463 HydrophobicContact SD-CG1 3.96Å; M191-I463 HydrophobicContact SD-CG2 3.83Å |
| 192 | N | 96.7 | Very high | 97.2 | Very high | 10 Ų | 10 | 25 Ų | 25 | 5% | 0.053 | 11% | 0.109 | C | C | . | . | trans | -70.8 | 156 | 165.1 | -172.9 | -70.7 | 0 | 0 | 0 | 110.2 | T194 V195 A196 D266 E268 | N192-T194 PolarHBondContact O-N 3.42Å; N192-T194 WeakPolarHBondContact OD1-CB 3.25Å; N192-T194 WeakPolarHBondContact OD1-CG2 3.45Å; N192-T194 PolarHBondContact OD1-N 2.99Å; N192-T194 PolarHBondContact OD1-OG1 3.46Å; N192-V195 HydrophobicContact CB-CG2 4.31Å; N192-V195 PolarHBondContact O-N 3.02Å; N192-A196 PolarHBondContact O-N 3.49Å; N192-D266 HydrophobicContact CB-CB 4.26Å; N192-D266 WeakPolarHBondContact CB-OD2 3.35Å; N192-D266 PolarHBondContact ND2-OD2 3.08Å; N192-E268 PolarHBondContact ND2-OE1 2.87Å | ||
| 193 | D | 96 | Very high | 97 | Very high | 10 Ų | 10 | 18.4 Ų | 18.4 | 5% | 0.053 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -59.3 | -31.3 | 175.6 | 47.8 | -48.7 | 0 | 0 | 0 | 112.6 | V138 S140 K158 A196 Q197 V214 S456 | V138-D193 VanDerWaalsContact CG1-CA 3.44Å; V138-D193 HydrophobicContact CG1-CB 3.62Å; S140-D193 WeakPolarHBondContact CA-OD1 3.12Å; S140-D193 WeakPolarHBondContact CB-OD1 3.22Å; S140-D193 WeakPolarHBondContact OG-CB 3.35Å; S140-D193 PolarHBondContact OG-OD1 2.9Å; K158-D193 IonicContact NZ-OD1 2.66Å; D193-A196 PolarHBondContact O-N 3.13Å; D193-Q197 WeakPolarHBondContact O-CB 3.27Å; D193-Q197 PolarHBondContact O-N 3.27Å; D193-V214 HydrophobicContact CB-CG2 4.49Å; D193-S456 WeakPolarHBondContact O-CB 3.48Å |
| 194 | T | 97 | Very high | 96.8 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -68.5 | -40.4 | 178.4 | 60.8 | 0 | 0 | 0 | 0 | 112.7 | N192 A196 Q197 L198 V214 N220 S221 A222 D266 | N192-T194 PolarHBondContact O-N 3.42Å; N192-T194 WeakPolarHBondContact OD1-CB 3.25Å; N192-T194 WeakPolarHBondContact OD1-CG2 3.45Å; N192-T194 PolarHBondContact OD1-N 2.99Å; N192-T194 PolarHBondContact OD1-OG1 3.46Å; T194-A196 VanDerWaalsContact C-N 3.34Å; T194-Q197 PolarHBondContact O-N 2.85Å; T194-L198 PolarHBondContact O-N 3.27Å; T194-V214 HydrophobicContact CG2-CB 4.36Å; T194-V214 HydrophobicContact CG2-CG2 4.15Å; T194-N220 HydrophobicContact CG2-CB 3.55Å; T194-S221 VanDerWaalsContact CB-C 3.46Å; T194-A222 WeakPolarHBondContact OG1-CB 3.03Å; T194-D266 PolarHBondContact OG1-OD1 2.92Å |
| 195 | V | 97.6 | Very high | 96.6 | Very high | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.006 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -64.2 | -43.7 | 174.6 | 175.6 | 0 | 0 | 0 | 0 | 110 | V54 M191 N192 L198 A199 A222 I264 D266 | V54-V195 HydrophobicContact CB-CG1 4.29Å; V54-V195 HydrophobicContact CG2-CG1 3.83Å; M191-V195 HydrophobicContact CB-CB 4.09Å; M191-V195 HydrophobicContact CB-CG1 4.03Å; N192-V195 HydrophobicContact CB-CG2 4.31Å; N192-V195 PolarHBondContact O-N 3.02Å; V195-L198 PolarHBondContact O-N 2.65Å; V195-A199 PolarHBondContact O-N 3.46Å; V195-A222 HydrophobicContact CG2-CB 3.95Å; V195-I264 HydrophobicContact CB-CG2 4.37Å; V195-I264 HydrophobicContact CG1-CB 4.46Å; V195-I264 HydrophobicContact CG1-CD1 4.13Å; V195-I264 HydrophobicContact CG1-CG2 4.07Å; V195-I264 HydrophobicContact CG2-CG2 3.96Å; V195-D266 HydrophobicContact CG2-CB 4.15Å |
| 196 | A | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -67 | -39.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V138 M191 N192 D193 T194 L198 A199 A200 S456 G459 A460 | V138-A196 HydrophobicContact CG2-CB 3.81Å; M191-A196 HydrophobicContact CG-CB 4Å; M191-A196 HydrophobicContact SD-CB 4.01Å; N192-A196 PolarHBondContact O-N 3.49Å; D193-A196 PolarHBondContact O-N 3.13Å; T194-A196 VanDerWaalsContact C-N 3.34Å; A196-L198 VanDerWaalsContact C-N 3.33Å; A196-L198 PolarHBondContact O-N 3.03Å; A196-A199 PolarHBondContact O-N 3.34Å; A196-A200 PolarHBondContact O-N 3.16Å; A196-S456 WeakPolarHBondContact CB-O 3.45Å; A196-G459 WeakPolarHBondContact O-CA 3.38Å; A196-A460 HydrophobicContact CB-CB 4.03Å |
| 197 | Q | 97.4 | Very high | 95.7 | Very high | 3 Ų | 3 | 16.6 Ų | 16.6 | 1% | 0.014 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.6 | -41.1 | 175.7 | -177.9 | 58.2 | 69.6 | 0 | 0 | 111.8 | D193 T194 A200 A201 V214 D452 | D193-Q197 WeakPolarHBondContact O-CB 3.27Å; D193-Q197 PolarHBondContact O-N 3.27Å; T194-Q197 PolarHBondContact O-N 2.85Å; Q197-A200 PolarHBondContact O-N 3.22Å; Q197-A201 VanDerWaalsContact O-CB 3.31Å; Q197-A201 WeakPolarHBondContact O-CB 3.41Å; Q197-A201 PolarHBondContact O-N 2.9Å; Q197-V214 HydrophobicContact CB-CG2 3.59Å; Q197-V214 HydrophobicContact CG-CG2 3.78Å; Q197-D452 PolarHBondContact NE2-OD2 3.35Å |
| 198 | L | 97.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.7 | -49.3 | 172.5 | 172.1 | 54.7 | 0 | 0 | 0 | 110.3 | L57 T194 V195 A196 A200 A201 T202 C209 T210 I264 | L57-L198 HydrophobicContact CD1-CD1 4.45Å; L57-L198 HydrophobicContact CD1-CG 4.49Å; L57-L198 HydrophobicContact CD2-CD1 4.34Å; L57-L198 HydrophobicContact CD2-CD2 3.96Å; L57-L198 HydrophobicContact CD2-CG 3.65Å; T194-L198 PolarHBondContact O-N 3.27Å; V195-L198 PolarHBondContact O-N 2.65Å; A196-L198 VanDerWaalsContact C-N 3.33Å; A196-L198 PolarHBondContact O-N 3.03Å; L198-A200 PolarHBondContact O-N 3.3Å; L198-A201 PolarHBondContact O-N 2.86Å; L198-T202 PolarHBondContact O-N 3.16Å; L198-T202 PolarHBondContact O-OG1 2.82Å; L198-C209 WeakPolarHBondContact CD1-O 3.43Å; L198-T210 VanDerWaalsContact CD1-C 3.48Å; L198-I264 HydrophobicContact CD2-CD1 4.24Å; L198-I264 HydrophobicContact CD2-CG1 4.26Å; L198-I264 HydrophobicContact CD2-CG2 3.79Å |
| 199 | A | 97.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -59.6 | -43.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113 | P58 V195 A196 T202 H203 I463 | P58-A199 VanDerWaalsContact CG-O 3.25Å; P58-A199 WeakPolarHBondContact CG-O 3.14Å; V195-A199 PolarHBondContact O-N 3.46Å; A196-A199 PolarHBondContact O-N 3.34Å; A199-T202 PolarHBondContact O-N 2.86Å; A199-H203 WeakPolarHBondContact O-CB 3.22Å; A199-H203 PolarHBondContact O-N 3.33Å; A199-H203 VanDerWaalsContact O-N 3.07Å; A199-I463 HydrophobicContact CB-CD1 3.52Å; A199-I463 HydrophobicContact CB-CG1 3.6Å |
| 200 | A | 96.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59 | -48.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | A196 Q197 L198 H203 S204 D452 F458 | A196-A200 PolarHBondContact O-N 3.16Å; Q197-A200 PolarHBondContact O-N 3.22Å; L198-A200 PolarHBondContact O-N 3.3Å; A200-H203 PolarHBondContact O-N 3.25Å; A200-S204 WeakPolarHBondContact O-CB 3.47Å; A200-S204 PolarHBondContact O-N 3.31Å; A200-S204 PolarHBondContact O-OG 2.83Å; A200-S204 VanDerWaalsContact O-OG 3.05Å; A200-D452 WeakPolarHBondContact CB-OD2 3.35Å; A200-F458 HydrophobicContact CB-CD1 4.26Å |
| 201 | A | 96 | Very high | 94.8 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.5 | -40.3 | -180 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q197 L198 H203 S204 I205 C209 D452 | Q197-A201 VanDerWaalsContact O-CB 3.31Å; Q197-A201 WeakPolarHBondContact O-CB 3.41Å; Q197-A201 PolarHBondContact O-N 2.9Å; L198-A201 PolarHBondContact O-N 2.86Å; A201-H203 VanDerWaalsContact C-N 3.3Å; A201-H203 PolarHBondContact O-N 2.93Å; A201-S204 PolarHBondContact O-N 2.99Å; A201-I205 HydrophobicContact CB-CD1 3.99Å; A201-I205 WeakPolarHBondContact O-CA 2.99Å; A201-I205 VanDerWaalsContact O-CB 3.27Å; A201-I205 WeakPolarHBondContact O-CB 3.06Å; A201-I205 PolarHBondContact O-N 3.11Å; A201-C209 WeakPolarHBondContact CB-SG 3.15Å; A201-D452 HydrophobicContact CB-CB 4.22Å |
| 202 | T | 94.8 | Very high | 94.8 | Very high | 7 Ų | 7 | 21.6 Ų | 21.6 | 4% | 0.043 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.4 | -39.1 | 175 | -52 | 0 | 0 | 0 | 0 | 111.7 | L57 L198 A199 G206 C209 | L57-T202 HydrophobicContact CB-CG2 3.93Å; L57-T202 HydrophobicContact CD1-CG2 4.19Å; L198-T202 PolarHBondContact O-N 3.16Å; L198-T202 PolarHBondContact O-OG1 2.82Å; A199-T202 PolarHBondContact O-N 2.86Å; T202-G206 CarbonylContact O-C 3.59Å; T202-G206 VanDerWaalsContact O-CA 3.28Å; T202-G206 WeakPolarHBondContact O-CA 3.47Å; T202-G206 PolarHBondContact O-N 3.31Å; T202-C209 PolarHBondContact OG1-O 2.89Å |
| 203 | H | 94 | Very high | 94.9 | Very high | 50 Ų | 50 | 21.1 Ų | 21.1 | 23% | 0.231 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -70.1 | -41.5 | 176.5 | -179.7 | -78.7 | 0 | 0 | 0 | 112.8 | P58 A199 A200 A201 I462 | P58-H203 HydrophobicContact CB-CB 4.25Å; P58-H203 HydrophobicContact CG-CB 3.78Å; A199-H203 WeakPolarHBondContact O-CB 3.22Å; A199-H203 PolarHBondContact O-N 3.33Å; A199-H203 VanDerWaalsContact O-N 3.07Å; A200-H203 PolarHBondContact O-N 3.25Å; A201-H203 VanDerWaalsContact C-N 3.3Å; A201-H203 PolarHBondContact O-N 2.93Å; H203-I462 HydrophobicContact CB-CD1 3.69Å |
| 204 | S | 92.6 | Very high | 94.9 | Very high | 50 Ų | 50 | 21.2 Ų | 21.2 | 35% | 0.35 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -85.6 | -39.5 | -173.1 | 64.3 | 0 | 0 | 0 | 0 | 113.9 | A200 A201 D452 | A200-S204 WeakPolarHBondContact O-CB 3.47Å; A200-S204 PolarHBondContact O-N 3.31Å; A200-S204 PolarHBondContact O-OG 2.83Å; A200-S204 VanDerWaalsContact O-OG 3.05Å; A201-S204 PolarHBondContact O-N 2.99Å; S204-D452 PolarHBondContact OG-OD1 3.48Å |
| 205 | I | 92.5 | Very high | 94.9 | Very high | 66 Ų | 66 | 21.2 Ų | 21.2 | 34% | 0.338 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -97.1 | -36.8 | -174.9 | -61.5 | 155.5 | 0 | 0 | 0 | 111.2 | A201 V414 A450 D452 | A201-I205 HydrophobicContact CB-CD1 3.99Å; A201-I205 WeakPolarHBondContact O-CA 2.99Å; A201-I205 VanDerWaalsContact O-CB 3.27Å; A201-I205 WeakPolarHBondContact O-CB 3.06Å; A201-I205 PolarHBondContact O-N 3.11Å; I205-V414 HydrophobicContact CG2-CG1 3.83Å; I205-A450 HydrophobicContact CD1-CB 3.64Å; I205-A450 HydrophobicContact CG1-CB 4.2Å; I205-A450 HydrophobicContact CG2-CB 4.27Å; I205-D452 HydrophobicContact CD1-CB 4.36Å |
| 206 | G | 90 | Very high | 94.6 | Very high | 28 Ų | 28 | 21.4 Ų | 21.4 | 29% | 0.289 | 13% | 0.133 | S | C | . | . | trans | 133 | 171.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | T202 D208 C209 | T202-G206 CarbonylContact O-C 3.59Å; T202-G206 VanDerWaalsContact O-CA 3.28Å; T202-G206 WeakPolarHBondContact O-CA 3.47Å; T202-G206 PolarHBondContact O-N 3.31Å; G206-D208 PolarHBondContact O-N 3.09Å; G206-D208 VanDerWaalsContact O-N 3.13Å; G206-C209 VanDerWaalsContact O-CB 3.25Å; G206-C209 WeakPolarHBondContact O-CB 3.42Å; G206-C209 PolarHBondContact O-N 2.91Å | ||
| 207 | S | 88.5 | Confident | 94.2 | Very high | 97 Ų | 97 | 24.4 Ų | 24.4 | 68% | 0.678 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -20 | -172.5 | 55.9 | 0 | 0 | 0 | 0 | 115.3 | C209 | S207-C209 PolarHBondContact O-N 2.83Š|
| 208 | D | 89 | Confident | 93.9 | Very high | 112 Ų | 112 | 24.6 Ų | 24.6 | 60% | 0.599 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -9.9 | 175.9 | -63.6 | -24.5 | 0 | 0 | 0 | 112.2 | G206 T210 V414 | G206-D208 PolarHBondContact O-N 3.09Å; G206-D208 VanDerWaalsContact O-N 3.13Å; D208-T210 PolarHBondContact O-N 3.07Å; D208-V414 HydrophobicContact CB-CG2 3.92Å; D208-V414 PolarHBondContact O-N 3.16Å |
| 209 | C | 93.4 | Very high | 93.8 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.007 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 101.3 | 172.7 | -174 | 0 | 0 | 0 | 0 | 110.6 | L198 A201 T202 G206 S207 V414 G416 | L198-C209 WeakPolarHBondContact CD1-O 3.43Å; A201-C209 WeakPolarHBondContact CB-SG 3.15Å; T202-C209 PolarHBondContact OG1-O 2.89Å; G206-C209 VanDerWaalsContact O-CB 3.25Å; G206-C209 WeakPolarHBondContact O-CB 3.42Å; G206-C209 PolarHBondContact O-N 2.91Å; S207-C209 PolarHBondContact O-N 2.83Å; C209-V414 WeakPolarHBondContact CA-O 3.29Å; C209-V414 HydrophobicContact CB-CB 4.15Å; C209-V414 HydrophobicContact CB-CG1 4.28Å; C209-G416 PolarHBondContact SG-N 3.33Å; C209-G416 VanDerWaalsContact SG-N 3.42Å |
| 210 | T | 92.7 | Very high | 93.8 | Very high | 18 Ų | 18 | 24.8 Ų | 24.8 | 11% | 0.11 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 1.9 | -176.2 | 55.3 | 0 | 0 | 0 | 0 | 113.2 | L198 D208 Y223 L224 V414 | L198-T210 VanDerWaalsContact CD1-C 3.48Å; D208-T210 PolarHBondContact O-N 3.07Å; T210-Y223 VanDerWaalsContact O-CA 3.26Å; T210-Y223 WeakPolarHBondContact O-CA 3.08Å; T210-L224 PolarHBondContact O-N 2.93Å; T210-V414 PolarHBondContact N-O 2.94Å |
| 211 | M | 96.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 132.6 | 176.7 | -64 | 175 | -173.1 | 0 | 0 | 110.9 | A222 L404 M405 A408 L413 V415 G416 | M211-A222 CarbonylContact C-O 3.24Å; M211-A222 WeakPolarHBondContact CA-O 3.05Å; M211-L404 HydrophobicContact CB-CD2 4.35Å; M211-L404 HydrophobicContact CE-CG 4.15Å; M211-L404 HydrophobicContact CG-CD2 4.06Å; M211-L404 HydrophobicContact CG-CG 4.37Å; M211-L404 HydrophobicContact SD-CB 4.38Å; M211-L404 HydrophobicContact SD-CD2 3.97Å; M211-L404 HydrophobicContact SD-CG 3.93Å; M211-M405 HydrophobicContact CE-CG 4.28Å; M211-M405 HydrophobicContact SD-CG 4.03Å; M211-A408 HydrophobicContact CE-CB 3.23Å; M211-L413 HydrophobicContact CE-CD1 4.3Å; M211-L413 HydrophobicContact CE-CD2 4.08Å; M211-L413 HydrophobicContact SD-CD1 3.95Å; M211-V415 HydrophobicContact CB-CB 4.39Å; M211-V415 HydrophobicContact CB-CG1 3.97Å; M211-V415 HydrophobicContact CB-CG2 4.27Å; M211-V415 HydrophobicContact SD-CG2 4.06Å; M211-G416 PolarHBondContact O-N 3.36Å |
| 212 | G | 97.4 | Very high | 94 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 122 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | S221 A222 G416 | G212-S221 CarbonylContact O-C 3.46Å; G212-S221 WeakPolarHBondContact O-CA 3.43Å; G212-A222 PolarHBondContact N-O 2.59Å; G212-A222 PolarHBondContact O-N 2.85Å; G212-G416 WeakPolarHBondContact CA-O 3.33Å |
| 213 | I | 98.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 127.4 | 177.6 | -57 | 172.1 | 0 | 0 | 0 | 108.5 | I215 W269 V397 T401 V415 G416 L417 G418 | I213-I215 HydrophobicContact CG2-CD1 4.29Å; I213-I215 HydrophobicContact CG2-CG1 3.71Å; I213-W269 HydrophobicContact CD1-CH2 3.67Å; I213-W269 HydrophobicContact CD1-CZ2 4.35Å; I213-W269 HydrophobicContact CG1-CH2 3.79Å; I213-W269 HydrophobicContact CG1-CZ2 4.22Å; I213-W269 HydrophobicContact CG2-CH2 4.1Å; I213-W269 HydrophobicContact CG2-CZ2 3.69Å; I213-V397 HydrophobicContact CG2-CG1 4.46Å; I213-T401 HydrophobicContact CD1-CG2 3.84Å; I213-T401 VanDerWaalsContact CD1-OG1 3.24Å; I213-T401 WeakPolarHBondContact CD1-OG1 3.4Å; I213-V415 HydrophobicContact CD1-CG1 3.44Å; I213-V415 VanDerWaalsContact CD1-CG1 3.44Å; I213-V415 HydrophobicContact CG1-CG1 3.88Å; I213-G416 PolarHBondContact N-O 2.98Å; I213-L417 HydrophobicContact CB-CD2 3.8Å; I213-L417 HydrophobicContact CD1-CD2 3.89Å; I213-L417 HydrophobicContact CG1-CD2 4.27Å; I213-L417 HydrophobicContact CG2-CD2 4.44Å; I213-G418 PolarHBondContact O-N 3.03Å |
| 214 | V | 96.9 | Very high | 94 | Very high | 13 Ų | 13 | 23.1 Ų | 23.1 | 8% | 0.079 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 116.1 | 173.2 | 177.8 | 0 | 0 | 0 | 0 | 108.2 | D193 T194 Q197 C219 N220 | D193-V214 HydrophobicContact CB-CG2 4.49Å; T194-V214 HydrophobicContact CG2-CB 4.36Å; T194-V214 HydrophobicContact CG2-CG2 4.15Å; Q197-V214 HydrophobicContact CB-CG2 3.59Å; Q197-V214 HydrophobicContact CG-CG2 3.78Å; V214-C219 VanDerWaalsContact O-CA 3.28Å; V214-C219 WeakPolarHBondContact O-CA 3.26Å; V214-N220 PolarHBondContact N-O 2.82Å; V214-N220 PolarHBondContact O-N 3.19Å |
| 215 | I | 96.3 | Very high | 94 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 79.8 | 175 | -40.4 | 178.5 | 0 | 0 | 0 | 108.3 | I213 V397 G418 G419 A420 L421 I422 Y428 L432 | I213-I215 HydrophobicContact CG2-CD1 4.29Å; I213-I215 HydrophobicContact CG2-CG1 3.71Å; I215-V397 HydrophobicContact CD1-CG1 3.7Å; I215-V397 HydrophobicContact CG1-CG1 4.29Å; I215-G418 PolarHBondContact N-O 3.19Å; I215-G419 CarbonylContact O-C 3.59Å; I215-G419 VanDerWaalsContact O-C 3.23Å; I215-G419 WeakPolarHBondContact O-CA 3.37Å; I215-A420 PolarHBondContact O-N 2.83Å; I215-L421 HydrophobicContact CB-CB 4.5Å; I215-L421 HydrophobicContact CG2-CB 3.99Å; I215-L421 HydrophobicContact CG2-CD1 3.82Å; I215-L421 HydrophobicContact CG2-CG 4.29Å; I215-L421 PolarHBondContact O-N 2.86Å; I215-I422 HydrophobicContact CB-CG1 4.27Å; I215-I422 HydrophobicContact CD1-CD1 3.92Å; I215-I422 HydrophobicContact CD1-CG1 4.05Å; I215-I422 HydrophobicContact CG1-CG1 4.35Å; I215-Y428 HydrophobicContact CD1-CE1 3.75Å; I215-Y428 HydrophobicContact CG2-CE1 3.92Å; I215-L432 HydrophobicContact CD1-CD1 3.63Å |
| 216 | G | 91.7 | Very high | 94 | Very high | 5 Ų | 5 | 19.6 Ų | 19.6 | 5% | 0.052 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -131.5 | -125.6 | -173 | 0 | 0 | 0 | 0 | 0 | 111 | G218 A307 | G216-G218 VanDerWaalsContact C-N 3.31Å; G216-G218 CarbonylContact C-O 3.55Å; G216-G218 VanDerWaalsContact C-O 3.26Å; G216-G218 PolarHBondContact N-O 2.82Å; G216-G218 PolarHBondContact O-N 3.03Å; G216-A307 WeakPolarHBondContact O-CA 3.4Å; G216-A307 WeakPolarHBondContact O-CB 3.34Å; G216-A307 PolarHBondContact O-N 2.92Å |
| 217 | Y | 89.1 | Confident | 94 | Very high | 63 Ų | 63 | 18.5 Ų | 18.5 | 25% | 0.247 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -58.3 | -45.4 | 178.1 | -162.6 | -92.4 | 0 | 0 | 0 | 111.3 | K158 F308 | K158-Y217 HydrophobicContact CB-CD1 3.97Å; K158-Y217 HydrophobicContact CB-CE1 3.79Å; K158-Y217 HydrophobicContact CD-CD1 4.43Å; K158-Y217 HydrophobicContact CG-CD1 3.94Å; K158-Y217 HydrophobicContact CG-CE1 4.24Å; Y217-F308 HydrophobicContact CD1-CB 3.9Å; Y217-F308 HydrophobicContact CD1-CD2 4.47Å; Y217-F308 HydrophobicContact CD1-CG 4.2Å; Y217-F308 HydrophobicContact CD2-CB 4.32Å; Y217-F308 HydrophobicContact CD2-CD2 4.42Å; Y217-F308 HydrophobicContact CE1-CB 3.84Å; Y217-F308 HydrophobicContact CE1-CD1 4.21Å; Y217-F308 AromaticContact CE1-CD2 3.63Å; Y217-F308 HydrophobicContact CE1-CD2 3.63Å; Y217-F308 HydrophobicContact CE1-CE2 4.25Å; Y217-F308 AromaticContact CE1-CG 3.61Å; Y217-F308 HydrophobicContact CE1-CG 3.61Å; Y217-F308 HydrophobicContact CE2-CB 4.26Å; Y217-F308 AromaticContact CE2-CD2 3.57Å; Y217-F308 HydrophobicContact CE2-CD2 3.57Å; Y217-F308 HydrophobicContact CE2-CE2 4.31Å; Y217-F308 HydrophobicContact CE2-CG 4.2Å; Y217-F308 HydrophobicContact CG-CB 4.17Å; Y217-F308 AromaticContact CZ-CD2 3.12Å; Y217-F308 AromaticContact CZ-CE2 3.62Å; Y217-F308 AromaticContact CZ-CG 3.64Å; Y217-F308 WeakPolarHBondContact O-CB 3.31Å; Y217-F308 PolarHBondContact O-N 2.86Å; Y217-F308 VanDerWaalsContact O-N 3.1Å; Y217-F308 WeakPolarHBondContact OH-CD2 3.26Å; Y217-F308 WeakPolarHBondContact OH-CE2 3.43Å |
| 218 | G | 91.3 | Very high | 94.2 | Very high | 7 Ų | 7 | 15 Ų | 15 | 7% | 0.072 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -112.8 | -169.2 | 161.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | G216 D302 | G216-G218 VanDerWaalsContact C-N 3.31Å; G216-G218 CarbonylContact C-O 3.55Å; G216-G218 VanDerWaalsContact C-O 3.26Å; G216-G218 PolarHBondContact N-O 2.82Å; G216-G218 PolarHBondContact O-N 3.03Å; G218-D302 WeakPolarHBondContact CA-OD1 3.4Å |
| 219 | C | 95.2 | Very high | 94.4 | Very high | 1 Ų | 1 | 12.2 Ų | 12.2 | 1% | 0.007 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 103.9 | 176.5 | -177.3 | 0 | 0 | 0 | 0 | 110.2 | V214 W269 I301 D302 T305 V397 | V214-C219 VanDerWaalsContact O-CA 3.28Å; V214-C219 WeakPolarHBondContact O-CA 3.26Å; C219-W269 PolarHBondContact O-NE1 2.91Å; C219-I301 HydrophobicContact CB-CG2 4.47Å; C219-D302 PolarHBondContact N-OD1 3.26Å; C219-T305 WeakPolarHBondContact CB-OG1 3.22Å; C219-V397 VanDerWaalsContact SG-CG2 3.57Å |
| 220 | N | 96.9 | Very high | 94.4 | Very high | 3 Ų | 3 | 12.4 Ų | 12.4 | 2% | 0.016 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 168 | 178.5 | -168 | 2 | 0 | 0 | 0 | 110.1 | T194 V214 D266 T267 E268 E270 | T194-N220 HydrophobicContact CG2-CB 3.55Å; V214-N220 PolarHBondContact N-O 2.82Å; V214-N220 PolarHBondContact O-N 3.19Å; N220-D266 PolarHBondContact ND2-OD1 2.77Å; N220-D266 PolarHBondContact OD1-OD1 3.26Å; N220-T267 PolarHBondContact OD1-OG1 3.4Å; N220-T267 VanDerWaalsContact OD1-OG1 3.13Å; N220-E268 WeakPolarHBondContact OD1-CA 3.26Å; N220-E268 PolarHBondContact OD1-N 2.87Å; N220-E268 VanDerWaalsContact OD1-N 3.12Å; N220-E270 VanDerWaalsContact CB-OE2 3.25Å; N220-E270 WeakPolarHBondContact CB-OE2 3.47Å; N220-E270 PolarHBondContact ND2-OE1 2.79Å; N220-E270 VanDerWaalsContact ND2-OE1 3.14Å; N220-E270 PolarHBondContact ND2-OE2 3.4Å; N220-E270 PolarHBondContact OD1-OE2 2.84Å; N220-E270 VanDerWaalsContact OD1-OE2 3.09Å |
| 221 | S | 98.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 160.1 | 174.8 | 75.8 | 0 | 0 | 0 | 0 | 114.3 | T194 G212 T267 W269 L404 | T194-S221 VanDerWaalsContact CB-C 3.46Å; G212-S221 CarbonylContact O-C 3.46Å; G212-S221 WeakPolarHBondContact O-CA 3.43Å; S221-T267 PolarHBondContact O-N 2.84Å; S221-T267 PolarHBondContact O-OG1 3.06Å; S221-T267 VanDerWaalsContact OG-CG2 3.25Å; S221-T267 WeakPolarHBondContact OG-CG2 3.47Å; S221-T267 PolarHBondContact OG-OG1 2.87Å; S221-W269 VanDerWaalsContact CB-CH2 3.41Å; S221-W269 WeakPolarHBondContact OG-CZ3 3.26Å; S221-L404 WeakPolarHBondContact OG-CD2 3.43Å |
| 222 | A | 98.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 154.3 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | T194 V195 M211 G212 I264 I265 | T194-A222 WeakPolarHBondContact OG1-CB 3.03Å; V195-A222 HydrophobicContact CG2-CB 3.95Å; M211-A222 CarbonylContact C-O 3.24Å; M211-A222 WeakPolarHBondContact CA-O 3.05Å; G212-A222 PolarHBondContact N-O 2.59Å; G212-A222 PolarHBondContact O-N 2.85Å; A222-I264 HydrophobicContact CB-CG2 3.89Å; A222-I265 CarbonylContact C-O 3.53Å; A222-I265 WeakPolarHBondContact CA-O 3.46Å; A222-I265 WeakPolarHBondContact CB-O 3.22Å |
| 223 | Y | 96.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 163.4 | 176.4 | 77 | -64.3 | 0 | 0 | 0 | 111.8 | L38 M49 T210 E225 I264 I265 T267 L404 I407 A408 | L38-Y223 WeakPolarHBondContact CD1-OH 3.35Å; M49-Y223 HydrophobicContact CE-CE1 3.6Å; M49-Y223 WeakPolarHBondContact CE-OH 3.05Å; T210-Y223 VanDerWaalsContact O-CA 3.26Å; T210-Y223 WeakPolarHBondContact O-CA 3.08Å; Y223-E225 HydrophobicContact CD2-CB 4.45Å; Y223-E225 HydrophobicContact CE2-CB 3.74Å; Y223-E225 HydrophobicContact CE2-CG 4.15Å; Y223-E225 WeakPolarHBondContact CE2-OE2 3.42Å; Y223-E225 VanDerWaalsContact OH-CD 3.3Å; Y223-E225 PolarHBondContact OH-OE2 3.26Å; Y223-I264 CarbonylContact O-C 3.26Å; Y223-I264 WeakPolarHBondContact O-CA 3.29Å; Y223-I265 HydrophobicContact CD1-CB 4.07Å; Y223-I265 HydrophobicContact CD1-CG2 4.42Å; Y223-I265 HydrophobicContact CE1-CB 3.65Å; Y223-I265 HydrophobicContact CE1-CG1 4.38Å; Y223-I265 HydrophobicContact CE1-CG2 3.78Å; Y223-I265 PolarHBondContact N-O 3.31Å; Y223-I265 PolarHBondContact O-N 3.13Å; Y223-T267 HydrophobicContact CD1-CG2 3.91Å; Y223-T267 HydrophobicContact CE1-CG2 4.07Å; Y223-L404 HydrophobicContact CD1-CD1 3.49Å; Y223-L404 VanDerWaalsContact CD1-CD1 3.49Å; Y223-L404 HydrophobicContact CD1-CG 4.49Å; Y223-L404 HydrophobicContact CD2-CD1 4.25Å; Y223-L404 HydrophobicContact CE1-CD1 3.88Å; Y223-L404 HydrophobicContact CG-CD1 3.69Å; Y223-L404 HydrophobicContact CG-CG 4.3Å; Y223-I407 HydrophobicContact CE1-CD1 4.15Å; Y223-I407 HydrophobicContact CE2-CD1 4.19Å; Y223-I407 HydrophobicContact CE2-CG1 4.3Å; Y223-I407 WeakPolarHBondContact OH-CD1 3.45Å; Y223-A408 HydrophobicContact CD2-CB 4.01Å; Y223-A408 HydrophobicContact CE2-CB 4.39Å |
| 224 | L | 93.3 | Very high | 93.6 | Very high | 21 Ų | 21 | 28 Ų | 28 | 11% | 0.11 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 121.3 | 174.5 | -165 | 64.4 | 0 | 0 | 0 | 110.8 | L57 T210 Q262 I264 | L57-L224 HydrophobicContact CD1-CD2 4.25Å; T210-L224 PolarHBondContact O-N 2.93Å; L224-Q262 HydrophobicContact CD1-CB 3.74Å; L224-Q262 HydrophobicContact CD2-CB 4.37Å; L224-Q262 VanDerWaalsContact CD2-CD 3.49Å; L224-Q262 HydrophobicContact CD2-CG 4.49Å; L224-Q262 HydrophobicContact CG-CB 3.91Å; L224-Q262 HydrophobicContact CG-CG 4.25Å; L224-I264 HydrophobicContact CD1-CG1 3.99Å |
| 225 | E | 92.6 | Very high | 93 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 147.5 | -178.2 | -175.5 | 53.4 | -76.6 | 0 | 0 | 111.4 | L38 Y223 R229 I230 Q262 M263 I265 | L38-E225 WeakPolarHBondContact CD1-OE2 3.48Å; L38-E225 HydrophobicContact CD2-CG 4.09Å; Y223-E225 HydrophobicContact CD2-CB 4.45Å; Y223-E225 HydrophobicContact CE2-CB 3.74Å; Y223-E225 HydrophobicContact CE2-CG 4.15Å; Y223-E225 WeakPolarHBondContact CE2-OE2 3.42Å; Y223-E225 VanDerWaalsContact OH-CD 3.3Å; Y223-E225 PolarHBondContact OH-OE2 3.26Å; E225-R229 IonicContact OE1-CZ 3.33Å; E225-R229 IonicContact OE1-NE 3.78Å; E225-R229 PolarHBondContact OE1-NE 2.69Å; E225-R229 IonicContact OE1-NH2 2.87Å; E225-R229 PolarHBondContact OE1-NH2 3.08Å; E225-R229 IonicContact OE2-NE 3.19Å; E225-I230 HydrophobicContact CG-CD1 4.27Å; E225-I230 HydrophobicContact CG-CG1 3.88Å; E225-Q262 CarbonylContact O-C 3.54Å; E225-Q262 WeakPolarHBondContact O-CA 3.31Å; E225-M263 PolarHBondContact N-O 3.12Å; E225-M263 PolarHBondContact O-N 2.98Å; E225-I265 HydrophobicContact CB-CB 4.48Å; E225-I265 HydrophobicContact CB-CG1 3.64Å; E225-I265 HydrophobicContact CG-CG1 4.18Å |
| 226 | E | 91 | Very high | 92.4 | Very high | 42 Ų | 42 | 30.9 Ų | 30.9 | 20% | 0.196 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 127 | 168.2 | -65.7 | -170.4 | 158.5 | 0 | 0 | 110.4 | S228 R229 K244 | E226-S228 PolarHBondContact O-N 3.01Å; E226-S228 VanDerWaalsContact O-N 3.13Å; E226-R229 HydrophobicContact CB-CG 4.46Å; E226-R229 WeakPolarHBondContact O-CB 3.28Å; E226-R229 PolarHBondContact O-N 2.82Å; E226-R229 IonicContact OE1-NH1 3.56Å; E226-R229 IonicContact OE2-CZ 3.59Å; E226-R229 IonicContact OE2-NH1 3.38Å; E226-R229 PolarHBondContact OE2-NH1 2.96Å; E226-K244 IonicContact OE1-NZ 3.39Å; E226-K244 PolarHBondContact OE1-NZ 3.13Å |
| 227 | V | 91.4 | Very high | 92.1 | Very high | 4 Ų | 4 | 34.5 Ų | 34.5 | 2% | 0.024 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -62.7 | -26.6 | -178.6 | 172.4 | 0 | 0 | 0 | 0 | 111.9 | R229 I230 H235 Y240 V261 M263 | V227-R229 PolarHBondContact O-N 2.83Å; V227-R229 VanDerWaalsContact O-N 3.11Å; V227-I230 HydrophobicContact CG2-CD1 4.21Å; V227-I230 PolarHBondContact O-N 3.03Å; V227-I230 VanDerWaalsContact O-N 3.08Å; V227-H235 HydrophobicContact CG1-CB 3.39Å; V227-H235 WeakPolarHBondContact CG1-ND1 3.37Å; V227-Y240 HydrophobicContact CG2-CD1 4.44Å; V227-Y240 HydrophobicContact CG2-CE1 4.09Å; V227-V261 HydrophobicContact CB-CB 4.17Å; V227-V261 HydrophobicContact CB-CG1 4.02Å; V227-V261 HydrophobicContact CG2-CB 4.2Å; V227-V261 HydrophobicContact CG2-CG1 3.58Å; V227-V261 PolarHBondContact N-O 3.3Å; V227-M263 HydrophobicContact CG2-CB 3.71Å |
| 228 | S | 91.2 | Very high | 92 | Very high | 23 Ų | 23 | 33.8 Ų | 33.8 | 16% | 0.161 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -59.2 | -19.3 | 171.5 | 72.4 | 0 | 0 | 0 | 0 | 113.5 | E226 K231 N259 | E226-S228 PolarHBondContact O-N 3.01Å; E226-S228 VanDerWaalsContact O-N 3.13Å; S228-K231 WeakPolarHBondContact O-CE 3.47Å; S228-K231 PolarHBondContact O-NZ 3.11Å; S228-N259 VanDerWaalsContact CB-OD1 3.26Å; S228-N259 WeakPolarHBondContact CB-OD1 3.22Å; S228-N259 PolarHBondContact OG-OD1 2.83Å |
| 229 | R | 93.5 | Very high | 91.6 | Very high | 55 Ų | 55 | 36 Ų | 36 | 21% | 0.208 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -97 | -12 | 177.2 | -62.7 | -170.6 | -68.9 | -117.5 | 18.5 | 113.5 | E225 E226 V227 K231 A408 | E225-R229 IonicContact OE1-CZ 3.33Å; E225-R229 IonicContact OE1-NE 3.78Å; E225-R229 PolarHBondContact OE1-NE 2.69Å; E225-R229 IonicContact OE1-NH2 2.87Å; E225-R229 PolarHBondContact OE1-NH2 3.08Å; E225-R229 IonicContact OE2-NE 3.19Å; E226-R229 HydrophobicContact CB-CG 4.46Å; E226-R229 WeakPolarHBondContact O-CB 3.28Å; E226-R229 PolarHBondContact O-N 2.82Å; E226-R229 IonicContact OE1-NH1 3.56Å; E226-R229 IonicContact OE2-CZ 3.59Å; E226-R229 IonicContact OE2-NH1 3.38Å; E226-R229 PolarHBondContact OE2-NH1 2.96Å; V227-R229 PolarHBondContact O-N 2.83Å; V227-R229 VanDerWaalsContact O-N 3.11Å; R229-K231 PolarHBondContact O-N 2.84Å; R229-A408 PolarHBondContact NH2-O 2.87Å |
| 230 | I | 94.8 | Very high | 91.1 | Very high | 4 Ų | 4 | 36.2 Ų | 36.2 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | trans | -88.6 | 89.8 | 176.7 | -45.5 | 169.9 | 0 | 0 | 0 | 108.9 | L38 E225 V227 K232 I233 M263 I265 | L38-I230 HydrophobicContact CD2-CG1 4.13Å; L38-I230 CarbonylContact O-C 3.17Å; E225-I230 HydrophobicContact CG-CD1 4.27Å; E225-I230 HydrophobicContact CG-CG1 3.88Å; V227-I230 HydrophobicContact CG2-CD1 4.21Å; V227-I230 PolarHBondContact O-N 3.03Å; V227-I230 VanDerWaalsContact O-N 3.08Å; I230-K232 HydrophobicContact CG2-CG 4.17Å; I230-I233 HydrophobicContact CB-CG1 4.4Å; I230-I233 HydrophobicContact CG2-CD1 4.09Å; I230-I233 HydrophobicContact CG2-CG1 3.81Å; I230-M263 HydrophobicContact CD1-CB 4.15Å; I230-M263 HydrophobicContact CD1-SD 4.16Å; I230-I265 HydrophobicContact CD1-CD1 3.55Å; I230-I265 HydrophobicContact CD1-CG1 4.07Å; I230-I265 HydrophobicContact CG1-CD1 4.22Å | ||
| 231 | K | 95.1 | Very high | 90.3 | Very high | 141 Ų | 141 | 38.1 Ų | 38.1 | 61% | 0.613 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83 | -19.5 | -173.4 | -50 | -59.5 | -174.7 | 175.8 | 0 | 114.4 | L38 E39 S228 R229 I233 | L38-K231 PolarHBondContact O-N 3.22Å; E39-K231 HydrophobicContact CG-CB 4.24Å; E39-K231 HydrophobicContact CG-CG 4.37Å; E39-K231 CarbonylContact O-C 3.06Å; S228-K231 WeakPolarHBondContact O-CE 3.47Å; S228-K231 PolarHBondContact O-NZ 3.11Å; R229-K231 PolarHBondContact O-N 2.84Å; K231-I233 VanDerWaalsContact C-N 3.26Å; K231-I233 PolarHBondContact O-N 3.27Å |
| 232 | K | 94.2 | Very high | 89.4 | Confident | 60 Ų | 60 | 40.5 Ų | 40.5 | 26% | 0.261 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -11.7 | -178.3 | 69.6 | -179 | 173.2 | -155.7 | 0 | 114.7 | G37 L38 E39 A48 M49 I230 | G37-K232 WeakPolarHBondContact O-CD 3.31Å; G37-K232 PolarHBondContact O-NZ 2.7Å; L38-K232 PolarHBondContact O-N 3.19Å; E39-K232 WeakPolarHBondContact O-CA 3.25Å; E39-K232 WeakPolarHBondContact O-CB 3.45Å; E39-K232 PolarHBondContact O-N 3.05Å; E39-K232 VanDerWaalsContact O-N 3.13Å; A48-K232 PolarHBondContact O-NZ 3.47Å; M49-K232 VanDerWaalsContact C-NZ 3.31Å; M49-K232 WeakPolarHBondContact O-CE 3.47Å; M49-K232 PolarHBondContact O-NZ 2.97Å; I230-K232 HydrophobicContact CG2-CG 4.17Å |
| 233 | I | 90.4 | Very high | 88 | Confident | 43 Ų | 43 | 42.2 Ų | 42.2 | 22% | 0.221 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -121.9 | 144.9 | 176.7 | 69.8 | 175.1 | 0 | 0 | 0 | 110.9 | P51 I230 K231 M263 | P51-I233 HydrophobicContact CB-CD1 4.1Å; P51-I233 HydrophobicContact CG-CD1 3.87Å; P51-I233 HydrophobicContact CG-CG2 3.91Å; I230-I233 HydrophobicContact CB-CG1 4.4Å; I230-I233 HydrophobicContact CG2-CD1 4.09Å; I230-I233 HydrophobicContact CG2-CG1 3.81Å; K231-I233 VanDerWaalsContact C-N 3.26Å; K231-I233 PolarHBondContact O-N 3.27Å; I233-M263 HydrophobicContact CD1-CE 4.02Å; I233-M263 HydrophobicContact CD1-SD 4.19Å |
| 234 | D | 88.1 | Confident | 86.5 | Confident | 101 Ų | 101 | 46.1 Ų | 46.1 | 54% | 0.54 | 26% | 0.264 | S | S | . | . | trans | -91.6 | 93.6 | 160.6 | -175.5 | -16.5 | 0 | 0 | 0 | 108.2 | A236 A237 A238 | D234-A236 VanDerWaalsContact C-N 3.25Å; D234-A236 PolarHBondContact O-N 3.15Å; D234-A236 PolarHBondContact OD1-N 3.15Å; D234-A236 VanDerWaalsContact OD1-N 3.16Å; D234-A237 HydrophobicContact CB-CB 3.84Å; D234-A237 PolarHBondContact O-N 3.45Å; D234-A237 PolarHBondContact OD1-N 3.39Å; D234-A237 WeakPolarHBondContact OD2-CB 3.37Å; D234-A238 WeakPolarHBondContact O-CB 3.37Å; D234-A238 PolarHBondContact O-N 2.88Å | ||
| 235 | H | 84.8 | Confident | 84.6 | Confident | 30 Ų | 30 | 50.3 Ų | 50.3 | 14% | 0.139 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -37.6 | -179.5 | 67.5 | -74.5 | 0 | 0 | 0 | 112.9 | V227 A238 G239 Y240 | V227-H235 HydrophobicContact CG1-CB 3.39Å; V227-H235 WeakPolarHBondContact CG1-ND1 3.37Å; H235-A238 CarbonylContact O-C 3.58Å; H235-A238 PolarHBondContact O-N 3.2Å; H235-G239 PolarHBondContact O-N 3.32Å; H235-Y240 PolarHBondContact CD2-O 2.85Å; H235-Y240 VanDerWaalsContact CD2-O 3.32Å; H235-Y240 WeakPolarHBondContact O-CB 3.46Å; H235-Y240 PolarHBondContact O-N 2.72Å |
| 236 | A | 83.5 | Confident | 82.4 | Confident | 44 Ų | 44 | 53.5 Ų | 53.5 | 36% | 0.364 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -43.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | D234 A238 G239 | D234-A236 VanDerWaalsContact C-N 3.25Å; D234-A236 PolarHBondContact O-N 3.15Å; D234-A236 PolarHBondContact OD1-N 3.15Å; D234-A236 VanDerWaalsContact OD1-N 3.16Å; A236-A238 VanDerWaalsContact C-N 3.26Å; A236-A238 PolarHBondContact O-N 2.8Å; A236-G239 PolarHBondContact O-N 3.46Å |
| 237 | A | 85.6 | Confident | 80 | Confident | 82 Ų | 82 | 59.6 Ų | 59.6 | 68% | 0.678 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -29.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | D234 G239 | D234-A237 HydrophobicContact CB-CB 3.84Å; D234-A237 PolarHBondContact O-N 3.45Å; D234-A237 PolarHBondContact OD1-N 3.39Å; D234-A237 WeakPolarHBondContact OD2-CB 3.37Å; A237-G239 PolarHBondContact O-N 3.22Å |
| 238 | A | 85.2 | Confident | 77.3 | Confident | 47 Ų | 47 | 63.8 Ų | 63.8 | 39% | 0.388 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | 1.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | F53 D234 H235 A236 Y240 | F53-A238 HydrophobicContact CE1-CB 3.96Å; F53-A238 HydrophobicContact CZ-CB 4.02Å; D234-A238 WeakPolarHBondContact O-CB 3.37Å; D234-A238 PolarHBondContact O-N 2.88Å; H235-A238 CarbonylContact O-C 3.58Å; H235-A238 PolarHBondContact O-N 3.2Å; A236-A238 VanDerWaalsContact C-N 3.26Å; A236-A238 PolarHBondContact O-N 2.8Å; A238-Y240 VanDerWaalsContact C-N 3.27Å; A238-Y240 PolarHBondContact O-N 2.85Å |
| 239 | G | 83.1 | Confident | 74.7 | Confident | 55 Ų | 55 | 72.2 Ų | 72.2 | 57% | 0.567 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.2 | 16.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | H235 A236 A237 | H235-G239 PolarHBondContact O-N 3.32Å; A236-G239 PolarHBondContact O-N 3.46Å; A237-G239 PolarHBondContact O-N 3.22Å |
| 240 | Y | 85.4 | Confident | 72.5 | Confident | 4 Ų | 4 | 72.5 Ų | 72.5 | 2% | 0.016 | 40% | 0.399 | C | S | . | . | trans | -98.4 | 99.3 | -178 | -169.9 | -87.5 | 0 | 0 | 0 | 110.9 | F53 V54 P55 V227 H235 A238 F242 V261 Q262 M263 | F53-Y240 AromaticContact CD1-CD2 3.79Å; F53-Y240 HydrophobicContact CD1-CD2 3.79Å; F53-Y240 HydrophobicContact CD1-CG 4.48Å; F53-Y240 HydrophobicContact CE1-CD2 4.41Å; F53-Y240 HydrophobicContact CG-CD2 4.42Å; V54-Y240 PolarHBondContact O-OH 3.29Å; V54-Y240 VanDerWaalsContact O-OH 3.11Å; P55-Y240 VanDerWaalsContact CA-OH 3.3Å; P55-Y240 WeakPolarHBondContact CA-OH 3.41Å; P55-Y240 HydrophobicContact CB-CE2 4.11Å; V227-Y240 HydrophobicContact CG2-CD1 4.44Å; V227-Y240 HydrophobicContact CG2-CE1 4.09Å; H235-Y240 PolarHBondContact CD2-O 2.85Å; H235-Y240 VanDerWaalsContact CD2-O 3.32Å; H235-Y240 WeakPolarHBondContact O-CB 3.46Å; H235-Y240 PolarHBondContact O-N 2.72Å; A238-Y240 VanDerWaalsContact C-N 3.27Å; A238-Y240 PolarHBondContact O-N 2.85Å; Y240-F242 HydrophobicContact CD1-CD2 4.15Å; Y240-F242 AromaticContact CD2-CD2 3.62Å; Y240-F242 HydrophobicContact CD2-CD2 3.62Å; Y240-F242 AromaticContact CD2-CE2 3.62Å; Y240-F242 HydrophobicContact CD2-CE2 3.62Å; Y240-F242 HydrophobicContact CE1-CD2 4.14Å; Y240-F242 AromaticContact CE2-CD2 3.6Å; Y240-F242 HydrophobicContact CE2-CD2 3.6Å; Y240-F242 AromaticContact CE2-CE2 3.89Å; Y240-F242 HydrophobicContact CE2-CE2 3.89Å; Y240-F242 AromaticContact CG-CD2 3.93Å; Y240-F242 HydrophobicContact CG-CD2 3.93Å; Y240-F242 HydrophobicContact CG-CE2 4.15Å; Y240-F242 AromaticContact CZ-CD2 3.91Å; Y240-V261 HydrophobicContact CD1-CG1 3.93Å; Y240-V261 HydrophobicContact CE1-CG1 3.72Å; Y240-Q262 WeakPolarHBondContact CE1-O 3.44Å; Y240-Q262 PolarHBondContact OH-O 2.82Å; Y240-M263 HydrophobicContact CD1-CE 3.39Å; Y240-M263 HydrophobicContact CD2-CE 3.7Å; Y240-M263 HydrophobicContact CE1-CB 3.95Å; Y240-M263 HydrophobicContact CE1-CE 3.38Å; Y240-M263 HydrophobicContact CE1-CG 4.31Å; Y240-M263 HydrophobicContact CE2-CE 3.69Å; Y240-M263 HydrophobicContact CG-CE 3.52Å; Y240-M263 VanDerWaalsContact CZ-CE 3.49Å; Y240-M263 VanDerWaalsContact OH-CA 3.28Å; Y240-M263 WeakPolarHBondContact OH-CA 3.31Å; Y240-M263 WeakPolarHBondContact OH-CB 3.26Å; Y240-M263 WeakPolarHBondContact OH-CG 3.36Å | ||
| 241 | N | 80.3 | Confident | 69.8 | Low | 43 Ų | 43 | 78.3 Ų | 78.3 | 23% | 0.23 | 43% | 0.429 | C | S | . | . | trans | -136.6 | 72 | -178.9 | -72.3 | -48.9 | 0 | 0 | 0 | 110.8 | ||||
| 242 | F | 78.8 | Confident | 67.4 | Low | 50 Ų | 50 | 80.2 Ų | 80.2 | 22% | 0.219 | 45% | 0.445 | C | S | . | . | trans | -114.6 | 113 | -177.4 | -58.7 | -78.8 | 0 | 0 | 0 | 111.4 | P55 Y240 V261 M470 L472 | P55-F242 HydrophobicContact CB-CB 3.67Å; P55-F242 HydrophobicContact CB-CD1 3.85Å; P55-F242 HydrophobicContact CB-CD2 3.39Å; P55-F242 HydrophobicContact CB-CE1 4.34Å; P55-F242 HydrophobicContact CB-CE2 3.91Å; P55-F242 HydrophobicContact CB-CG 3.34Å; P55-F242 HydrophobicContact CB-CZ 4.36Å; P55-F242 HydrophobicContact CG-CD1 4.41Å; P55-F242 HydrophobicContact CG-CD2 4.36Å; P55-F242 HydrophobicContact CG-CE2 4.47Å; P55-F242 HydrophobicContact CG-CG 4.32Å; Y240-F242 HydrophobicContact CD1-CD2 4.15Å; Y240-F242 AromaticContact CD2-CD2 3.62Å; Y240-F242 HydrophobicContact CD2-CD2 3.62Å; Y240-F242 AromaticContact CD2-CE2 3.62Å; Y240-F242 HydrophobicContact CD2-CE2 3.62Å; Y240-F242 HydrophobicContact CE1-CD2 4.14Å; Y240-F242 AromaticContact CE2-CD2 3.6Å; Y240-F242 HydrophobicContact CE2-CD2 3.6Å; Y240-F242 AromaticContact CE2-CE2 3.89Å; Y240-F242 HydrophobicContact CE2-CE2 3.89Å; Y240-F242 AromaticContact CG-CD2 3.93Å; Y240-F242 HydrophobicContact CG-CD2 3.93Å; Y240-F242 HydrophobicContact CG-CE2 4.15Å; Y240-F242 AromaticContact CZ-CD2 3.91Å; F242-V261 WeakPolarHBondContact O-CG1 3.33Å; F242-M470 HydrophobicContact CD1-CE 3.59Å; F242-M470 HydrophobicContact CE1-CE 4.01Å; F242-M470 HydrophobicContact CG-CE 4.38Å; F242-L472 HydrophobicContact CE1-CD2 3.52Å; F242-L472 HydrophobicContact CZ-CD2 3.49Å; F242-L472 VanDerWaalsContact CZ-CD2 3.49Å | ||
| 243 | P | 69 | Low | 65.2 | Low | 37 Ų | 37 | 81 Ų | 81 | 24% | 0.24 | 47% | 0.47 | C | S | . | . | B | Isolated β-bridge | trans | -75.6 | 151.3 | -175.6 | 31.2 | -35.7 | 0 | 0 | 0 | 111.4 | V245 C248 I250 V256 D260 | P243-V245 PolarHBondContact O-N 3.12Å; P243-C248 HydrophobicContact CG-CB 4.47Å; P243-I250 HydrophobicContact CG-CD1 3.56Å; P243-I250 HydrophobicContact CG-CG1 4.2Å; P243-V256 HydrophobicContact CB-CG1 3.86Å; P243-V256 HydrophobicContact CB-CG2 4.28Å; P243-V256 HydrophobicContact CG-CG2 4.48Å; P243-D260 CarbonylContact C-O 3.55Å; P243-D260 WeakPolarHBondContact CA-O 3.34Å |
| 244 | K | 64.7 | Low | 63.2 | Low | 81 Ų | 81 | 85.3 Ų | 85.3 | 35% | 0.352 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -50.7 | -37.2 | 175.7 | -77 | 175.7 | 175.5 | 169.9 | 0 | 113.2 | E226 H246 N259 D260 Q262 | E226-K244 IonicContact OE1-NZ 3.39Å; E226-K244 PolarHBondContact OE1-NZ 3.13Å; K244-H246 PolarHBondContact O-N 3.41Å; K244-N259 VanDerWaalsContact CE-O 3.31Å; K244-N259 WeakPolarHBondContact CE-O 3.33Å; K244-N259 PolarHBondContact NZ-O 3.09Å; K244-D260 WeakPolarHBondContact CG-O 3.43Å; K244-D260 PolarHBondContact N-O 2.85Å; K244-Q262 HydrophobicContact CD-CG 4.23Å; K244-Q262 VanDerWaalsContact CE-CG 3.45Å; K244-Q262 HydrophobicContact CG-CG 3.82Å |
| 245 | V | 53.8 | Low | 61.5 | Low | 110 Ų | 110 | 87.8 Ų | 87.8 | 67% | 0.667 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -86.2 | 104.7 | -175.5 | -168.7 | 0 | 0 | 0 | 0 | 109.6 | P243 F247 C248 | P243-V245 PolarHBondContact O-N 3.12Å; V245-F247 PolarHBondContact O-N 3.2Å; V245-C248 PolarHBondContact O-N 2.94Å |
| 246 | H | 46.1 | Very low | 60.2 | Low | 68 Ų | 68 | 87.4 Ų | 87.4 | 32% | 0.315 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -45.5 | 125.8 | 163.1 | -118.6 | 74.6 | 0 | 0 | 0 | 108.4 | D59 K244 | D59-H246 IonicContact OD2-CD2 2.68Å; D59-H246 PolarHBondContact OD2-CD2 3.49Å; D59-H246 IonicContact OD2-NE2 3.34Å; D59-H246 PolarHBondContact OD2-NE2 3.35Å; K244-H246 PolarHBondContact O-N 3.41Å |
| 247 | F | 41.2 | Very low | 59.1 | Low | 170 Ų | 170 | 90 Ų | 90 | 75% | 0.746 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.3 | 20.9 | 178.3 | -66.7 | -86.1 | 0 | 0 | 0 | 120.6 | V245 K249 | V245-F247 PolarHBondContact O-N 3.2Å; F247-K249 PolarHBondContact O-N 3.14Å |
| 248 | C | 34.8 | Very low | 58 | Low | 91 Ų | 91 | 87.2 Ų | 87.2 | 62% | 0.615 | 49% | 0.485 | S | S | * | . | trans | -76.4 | 105.3 | 141.8 | -104.3 | 0 | 0 | 0 | 0 | 107.2 | P243 V245 I250 | P243-C248 HydrophobicContact CG-CB 4.47Å; V245-C248 PolarHBondContact O-N 2.94Å; C248-I250 HydrophobicContact CB-CG1 4.32Å; C248-I250 PolarHBondContact O-N 2.69Å | ||
| 249 | K | 36.9 | Very low | 57.1 | Low | 201 Ų | 201 | 89 Ų | 89 | 87% | 0.874 | 49% | 0.488 | S | S | * | . | trans | -50.3 | 89.5 | 150.4 | -82.2 | 177.9 | 175.2 | 176 | 0 | 106 | F247 L251 | F247-K249 PolarHBondContact O-N 3.14Å; K249-L251 VanDerWaalsContact C-N 3.34Å; K249-L251 PolarHBondContact O-N 3.47Å | ||
| 250 | I | 46 | Very low | 56.7 | Low | 60 Ų | 60 | 90.1 Ų | 90.1 | 31% | 0.308 | 48% | 0.481 | S | S | . | . | trans | -67.1 | 108.2 | 169.4 | -71.9 | -176 | 0 | 0 | 0 | 104.3 | P243 C248 L252 V256 | P243-I250 HydrophobicContact CG-CD1 3.56Å; P243-I250 HydrophobicContact CG-CG1 4.2Å; C248-I250 HydrophobicContact CB-CG1 4.32Å; C248-I250 PolarHBondContact O-N 2.69Å; I250-L252 PolarHBondContact O-N 2.67Å; I250-V256 HydrophobicContact CD1-CG2 3.43Å; I250-V256 VanDerWaalsContact CD1-CG2 3.43Å | ||
| 251 | L | 38.6 | Very low | 56.6 | Low | 126 Ų | 126 | 90 Ų | 90 | 66% | 0.66 | 48% | 0.481 | S | S | * | . | trans | -50.9 | 112.8 | 154.4 | -75.8 | 160.5 | 0 | 0 | 0 | 105.8 | K249 G253 H254 | K249-L251 VanDerWaalsContact C-N 3.34Å; K249-L251 PolarHBondContact O-N 3.47Å; L251-G253 PolarHBondContact O-N 2.81Å; L251-H254 PolarHBondContact O-N 2.6Å | ||
| 252 | L | 44.5 | Very low | 57.1 | Low | 182 Ų | 182 | 89.5 Ų | 89.5 | 95% | 0.953 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -37.1 | 112.9 | 169.6 | -75 | 157.9 | 0 | 0 | 0 | 108.8 | I250 | I250-L252 PolarHBondContact O-N 2.67Š|
| 253 | G | 48.3 | Very low | 57.7 | Low | 76 Ų | 76 | 87.1 Ų | 87.1 | 78% | 0.784 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 122.4 | -6.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | L251 | L251-G253 PolarHBondContact O-N 2.81Š|
| 254 | H | 48.6 | Very low | 59 | Low | 133 Ų | 133 | 85.3 Ų | 85.3 | 62% | 0.616 | 46% | 0.455 | S | S | * | . | P | Polyproline II helix | trans | -89.6 | 126.6 | 171.6 | -74.5 | -86 | 0 | 0 | 0 | 112 | L251 V256 | L251-H254 PolarHBondContact O-N 2.6Å; H254-V256 PolarHBondContact O-N 3.35Å |
| 255 | I | 52.5 | Low | 60.5 | Low | 153 Ų | 153 | 81.5 Ų | 81.5 | 79% | 0.785 | 44% | 0.438 | S | S | * | . | P | Polyproline II helix | trans | -74.6 | 118.1 | 173.3 | -60.1 | 173 | 0 | 0 | 0 | 108.5 | ||
| 256 | V | 56.6 | Low | 62.6 | Low | 23 Ų | 23 | 76.6 Ų | 76.6 | 14% | 0.139 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -78.7 | 143.2 | 171.2 | -176.1 | 0 | 0 | 0 | 0 | 108.5 | P243 I250 H254 A258 D260 V261 | P243-V256 HydrophobicContact CB-CG1 3.86Å; P243-V256 HydrophobicContact CB-CG2 4.28Å; P243-V256 HydrophobicContact CG-CG2 4.48Å; I250-V256 HydrophobicContact CD1-CG2 3.43Å; I250-V256 VanDerWaalsContact CD1-CG2 3.43Å; H254-V256 PolarHBondContact O-N 3.35Å; V256-A258 PolarHBondContact O-N 3.37Å; V256-D260 HydrophobicContact CG1-CB 3.87Å; V256-V261 HydrophobicContact CB-CG2 3.87Å; V256-V261 HydrophobicContact CG1-CG2 3.6Å |
| 257 | N | 61.6 | Low | 65.1 | Low | 97 Ų | 97 | 73.4 Ų | 73.4 | 52% | 0.519 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 134.9 | 173.4 | -170.1 | -18.2 | 0 | 0 | 0 | 109.6 | N259 D260 | N257-N259 PolarHBondContact O-N 3.41Å; N257-N259 PolarHBondContact OD1-N 3.36Å; N257-D260 WeakPolarHBondContact O-CA 3.17Å; N257-D260 WeakPolarHBondContact O-CB 3.45Å; N257-D260 PolarHBondContact O-N 3.21Å |
| 258 | A | 61.7 | Low | 67.7 | Low | 24 Ų | 24 | 65.3 Ų | 65.3 | 20% | 0.198 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -57.6 | -25.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | V256 D260 V261 | V256-A258 PolarHBondContact O-N 3.37Å; A258-D260 PolarHBondContact O-N 3.22Å; A258-V261 PolarHBondContact O-N 3.47Å |
| 259 | N | 67.3 | Low | 70.7 | Confident | 84 Ų | 84 | 61 Ų | 61 | 45% | 0.449 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -71.3 | -16.6 | 174.5 | -67.2 | -17 | 0 | 0 | 0 | 113.5 | S228 K244 N257 | S228-N259 VanDerWaalsContact CB-OD1 3.26Å; S228-N259 WeakPolarHBondContact CB-OD1 3.22Å; S228-N259 PolarHBondContact OG-OD1 2.83Å; K244-N259 VanDerWaalsContact CE-O 3.31Å; K244-N259 WeakPolarHBondContact CE-O 3.33Å; K244-N259 PolarHBondContact NZ-O 3.09Å; N257-N259 PolarHBondContact O-N 3.41Å; N257-N259 PolarHBondContact OD1-N 3.36Å |
| 260 | D | 74 | Confident | 73.6 | Confident | 80 Ų | 80 | 51.5 Ų | 51.5 | 43% | 0.428 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -103 | 7.9 | 178 | -60.5 | -43.8 | 0 | 0 | 0 | 111.7 | P243 K244 V256 N257 A258 | P243-D260 CarbonylContact C-O 3.55Å; P243-D260 WeakPolarHBondContact CA-O 3.34Å; K244-D260 WeakPolarHBondContact CG-O 3.43Å; K244-D260 PolarHBondContact N-O 2.85Å; V256-D260 HydrophobicContact CG1-CB 3.87Å; N257-D260 WeakPolarHBondContact O-CA 3.17Å; N257-D260 WeakPolarHBondContact O-CB 3.45Å; N257-D260 PolarHBondContact O-N 3.21Å; A258-D260 PolarHBondContact O-N 3.22Å |
| 261 | V | 84 | Confident | 75.9 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | B | Isolated β-bridge | trans | -114.1 | 129 | 178.3 | -178.3 | 0 | 0 | 0 | 0 | 108.8 | V227 Y240 F242 V256 A258 | V227-V261 HydrophobicContact CB-CB 4.17Å; V227-V261 HydrophobicContact CB-CG1 4.02Å; V227-V261 HydrophobicContact CG2-CB 4.2Å; V227-V261 HydrophobicContact CG2-CG1 3.58Å; V227-V261 PolarHBondContact N-O 3.3Å; Y240-V261 HydrophobicContact CD1-CG1 3.93Å; Y240-V261 HydrophobicContact CE1-CG1 3.72Å; F242-V261 WeakPolarHBondContact O-CG1 3.33Å; V256-V261 HydrophobicContact CB-CG2 3.87Å; V256-V261 HydrophobicContact CG1-CG2 3.6Å; A258-V261 PolarHBondContact O-N 3.47Å |
| 262 | Q | 89.3 | Confident | 78.8 | Confident | 33 Ų | 33 | 42.8 Ų | 42.8 | 15% | 0.154 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 155.6 | 173.2 | -72.5 | 179.9 | -60.4 | 0 | 0 | 110.5 | L224 E225 Y240 K244 | L224-Q262 HydrophobicContact CD1-CB 3.74Å; L224-Q262 HydrophobicContact CD2-CB 4.37Å; L224-Q262 VanDerWaalsContact CD2-CD 3.49Å; L224-Q262 HydrophobicContact CD2-CG 4.49Å; L224-Q262 HydrophobicContact CG-CB 3.91Å; L224-Q262 HydrophobicContact CG-CG 4.25Å; E225-Q262 CarbonylContact O-C 3.54Å; E225-Q262 WeakPolarHBondContact O-CA 3.31Å; Y240-Q262 WeakPolarHBondContact CE1-O 3.44Å; Y240-Q262 PolarHBondContact OH-O 2.82Å; K244-Q262 HydrophobicContact CD-CG 4.23Å; K244-Q262 VanDerWaalsContact CE-CG 3.45Å; K244-Q262 HydrophobicContact CG-CG 3.82Å |
| 263 | M | 92.2 | Very high | 81.3 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 139.7 | 175.8 | -177.9 | -177.8 | -72.6 | 0 | 0 | 109.2 | P51 E225 V227 I230 I233 Y240 I265 | P51-M263 HydrophobicContact CB-SD 3.46Å; P51-M263 WeakPolarHBondContact CB-SD 3.28Å; P51-M263 HydrophobicContact CG-SD 4.4Å; E225-M263 PolarHBondContact N-O 3.12Å; E225-M263 PolarHBondContact O-N 2.98Å; V227-M263 HydrophobicContact CG2-CB 3.71Å; I230-M263 HydrophobicContact CD1-CB 4.15Å; I230-M263 HydrophobicContact CD1-SD 4.16Å; I233-M263 HydrophobicContact CD1-CE 4.02Å; I233-M263 HydrophobicContact CD1-SD 4.19Å; Y240-M263 HydrophobicContact CD1-CE 3.39Å; Y240-M263 HydrophobicContact CD2-CE 3.7Å; Y240-M263 HydrophobicContact CE1-CB 3.95Å; Y240-M263 HydrophobicContact CE1-CE 3.38Å; Y240-M263 HydrophobicContact CE1-CG 4.31Å; Y240-M263 HydrophobicContact CE2-CE 3.69Å; Y240-M263 HydrophobicContact CG-CE 3.52Å; Y240-M263 VanDerWaalsContact CZ-CE 3.49Å; Y240-M263 VanDerWaalsContact OH-CA 3.28Å; Y240-M263 WeakPolarHBondContact OH-CA 3.31Å; Y240-M263 WeakPolarHBondContact OH-CB 3.26Å; Y240-M263 WeakPolarHBondContact OH-CG 3.36Å; M263-I265 PolarHBondContact O-N 3.02Å; M263-I265 HydrophobicContact SD-CD1 4.45Å |
| 264 | I | 95.4 | Very high | 83.5 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 128.1 | 170.8 | -53.3 | 171.8 | 0 | 0 | 0 | 108.3 | S52 V54 L57 V195 L198 A222 Y223 L224 | S52-I264 WeakPolarHBondContact CB-O 2.96Å; S52-I264 PolarHBondContact N-O 3.1Å; S52-I264 WeakPolarHBondContact OG-CB 3.32Å; S52-I264 PolarHBondContact OG-O 2.57Å; V54-I264 HydrophobicContact CB-CD1 4.02Å; V54-I264 HydrophobicContact CG1-CD1 3.74Å; L57-I264 HydrophobicContact CD2-CD1 3.47Å; L57-I264 VanDerWaalsContact CD2-CD1 3.47Å; L57-I264 HydrophobicContact CD2-CG1 4.31Å; L57-I264 HydrophobicContact CG-CD1 4.19Å; V195-I264 HydrophobicContact CB-CG2 4.37Å; V195-I264 HydrophobicContact CG1-CB 4.46Å; V195-I264 HydrophobicContact CG1-CD1 4.13Å; V195-I264 HydrophobicContact CG1-CG2 4.07Å; V195-I264 HydrophobicContact CG2-CG2 3.96Å; L198-I264 HydrophobicContact CD2-CD1 4.24Å; L198-I264 HydrophobicContact CD2-CG1 4.26Å; L198-I264 HydrophobicContact CD2-CG2 3.79Å; A222-I264 HydrophobicContact CB-CG2 3.89Å; Y223-I264 CarbonylContact O-C 3.26Å; Y223-I264 WeakPolarHBondContact O-CA 3.29Å; L224-I264 HydrophobicContact CD1-CG1 3.99Å |
| 265 | I | 97.3 | Very high | 85.7 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 125.6 | 174.6 | -66.7 | -62.2 | 0 | 0 | 0 | 108.6 | L38 M49 P51 A222 Y223 E225 I230 M263 | L38-I265 HydrophobicContact CD2-CG1 4.34Å; M49-I265 VanDerWaalsContact C-CG2 3.49Å; M49-I265 HydrophobicContact CB-CG2 3.93Å; M49-I265 HydrophobicContact CE-CG2 3.98Å; M49-I265 HydrophobicContact SD-CG2 4.36Å; P51-I265 HydrophobicContact CG-CD1 4.35Å; A222-I265 CarbonylContact C-O 3.53Å; A222-I265 WeakPolarHBondContact CA-O 3.46Å; A222-I265 WeakPolarHBondContact CB-O 3.22Å; Y223-I265 HydrophobicContact CD1-CB 4.07Å; Y223-I265 HydrophobicContact CD1-CG2 4.42Å; Y223-I265 HydrophobicContact CE1-CB 3.65Å; Y223-I265 HydrophobicContact CE1-CG1 4.38Å; Y223-I265 HydrophobicContact CE1-CG2 3.78Å; Y223-I265 PolarHBondContact N-O 3.31Å; Y223-I265 PolarHBondContact O-N 3.13Å; E225-I265 HydrophobicContact CB-CB 4.48Å; E225-I265 HydrophobicContact CB-CG1 3.64Å; E225-I265 HydrophobicContact CG-CG1 4.18Å; I230-I265 HydrophobicContact CD1-CD1 3.55Å; I230-I265 HydrophobicContact CD1-CG1 4.07Å; I230-I265 HydrophobicContact CG1-CD1 4.22Å; M263-I265 PolarHBondContact O-N 3.02Å; M263-I265 HydrophobicContact SD-CD1 4.45Å |
| 266 | D | 97.9 | Very high | 87.8 | Confident | 8 Ų | 8 | 25.1 Ų | 25.1 | 4% | 0.043 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 117.3 | 163.1 | 175.4 | 18.7 | 0 | 0 | 0 | 108.6 | M49 L50 N192 T194 V195 N220 E268 | M49-D266 CarbonylContact C-O 3.59Å; M49-D266 VanDerWaalsContact C-O 3.27Å; M49-D266 WeakPolarHBondContact CA-O 3.36Å; L50-D266 HydrophobicContact CB-CB 4.35Å; L50-D266 PolarHBondContact N-O 2.98Å; L50-D266 PolarHBondContact O-N 2.89Å; N192-D266 HydrophobicContact CB-CB 4.26Å; N192-D266 WeakPolarHBondContact CB-OD2 3.35Å; N192-D266 PolarHBondContact ND2-OD2 3.08Å; T194-D266 PolarHBondContact OG1-OD1 2.92Å; V195-D266 HydrophobicContact CG2-CB 4.15Å; N220-D266 PolarHBondContact ND2-OD1 2.77Å; N220-D266 PolarHBondContact OD1-OD1 3.26Å; D266-E268 PolarHBondContact O-N 3.22Å; D266-E268 VanDerWaalsContact OD2-OE1 3.11Å |
| 267 | T | 98.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -71.7 | -32.8 | -167.8 | 59.6 | 0 | 0 | 0 | 0 | 112.8 | A48 M49 N220 S221 Y223 W269 L404 | A48-T267 PolarHBondContact N-O 3.5Å; M49-T267 HydrophobicContact CE-CG2 4.35Å; M49-T267 PolarHBondContact N-O 3.41Å; M49-T267 VanDerWaalsContact N-O 3.11Å; M49-T267 HydrophobicContact SD-CG2 4.07Å; N220-T267 PolarHBondContact OD1-OG1 3.4Å; N220-T267 VanDerWaalsContact OD1-OG1 3.13Å; S221-T267 PolarHBondContact O-N 2.84Å; S221-T267 PolarHBondContact O-OG1 3.06Å; S221-T267 VanDerWaalsContact OG-CG2 3.25Å; S221-T267 WeakPolarHBondContact OG-CG2 3.47Å; S221-T267 PolarHBondContact OG-OG1 2.87Å; Y223-T267 HydrophobicContact CD1-CG2 3.91Å; Y223-T267 HydrophobicContact CE1-CG2 4.07Å; T267-W269 PolarHBondContact O-N 3.14Å; T267-W269 PolarHBondContact OG1-N 3.07Å; T267-L404 HydrophobicContact CG2-CD1 3.84Å | ||
| 268 | E | 96.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.116 | C | C | . | . | trans | 50.9 | 41.4 | -167.2 | -65.5 | -70.3 | 171.5 | 0 | 0 | 110.8 | A48 L50 P142 N192 N220 D266 E270 E271 | A48-E268 HydrophobicContact CB-CB 3.99Å; A48-E268 HydrophobicContact CB-CG 4.25Å; L50-E268 HydrophobicContact CD1-CG 3.54Å; L50-E268 HydrophobicContact CG-CG 4.01Å; P142-E268 WeakPolarHBondContact CA-OE1 3.46Å; P142-E268 WeakPolarHBondContact CG-OE2 3.24Å; N192-E268 PolarHBondContact ND2-OE1 2.87Å; N220-E268 WeakPolarHBondContact OD1-CA 3.26Å; N220-E268 PolarHBondContact OD1-N 2.87Å; N220-E268 VanDerWaalsContact OD1-N 3.12Å; D266-E268 PolarHBondContact O-N 3.22Å; D266-E268 VanDerWaalsContact OD2-OE1 3.11Å; E268-E270 WeakPolarHBondContact CA-OE2 3.25Å; E268-E270 PolarHBondContact O-N 3.16Å; E268-E270 VanDerWaalsContact O-N 3.15Å; E268-E270 VanDerWaalsContact OE2-CD 3.27Å; E268-E271 PolarHBondContact O-N 3.32Å | ||
| 269 | W | 97.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.127 | C | C | . | . | G | 310 helix | trans | -68.7 | -10.6 | -175.2 | 71.2 | 13.1 | 0 | 0 | 0 | 113 | M30 F34 T47 I213 C219 S221 T267 E271 F272 A400 L404 | M30-W269 HydrophobicContact CE-CB 3.98Å; M30-W269 HydrophobicContact CE-CG 4.41Å; F34-W269 HydrophobicContact CE1-CB 3.8Å; F34-W269 HydrophobicContact CZ-CB 3.98Å; F34-W269 AromaticContact CZ-CE3 3.87Å; F34-W269 HydrophobicContact CZ-CE3 3.87Å; T47-W269 HydrophobicContact CG2-CB 4.29Å; I213-W269 HydrophobicContact CD1-CH2 3.67Å; I213-W269 HydrophobicContact CD1-CZ2 4.35Å; I213-W269 HydrophobicContact CG1-CH2 3.79Å; I213-W269 HydrophobicContact CG1-CZ2 4.22Å; I213-W269 HydrophobicContact CG2-CH2 4.1Å; I213-W269 HydrophobicContact CG2-CZ2 3.69Å; C219-W269 PolarHBondContact O-NE1 2.91Å; S221-W269 VanDerWaalsContact CB-CH2 3.41Å; S221-W269 WeakPolarHBondContact OG-CZ3 3.26Å; T267-W269 PolarHBondContact O-N 3.14Å; T267-W269 PolarHBondContact OG1-N 3.07Å; W269-E271 PolarHBondContact O-N 3.32Å; W269-F272 WeakPolarHBondContact O-CB 3.35Å; W269-F272 PolarHBondContact O-N 3.28Å; W269-A400 HydrophobicContact CD2-CB 4.2Å; W269-A400 HydrophobicContact CE3-CB 4.02Å; W269-A400 HydrophobicContact CH2-CB 4.01Å; W269-A400 HydrophobicContact CZ2-CB 4.23Å; W269-A400 HydrophobicContact CZ3-CB 3.91Å; W269-L404 HydrophobicContact CH2-CD2 4.48Å; W269-L404 HydrophobicContact CZ3-CB 4.07Å; W269-L404 HydrophobicContact CZ3-CD2 3.81Å; W269-L404 HydrophobicContact CZ3-CG 4.48Å |
| 270 | E | 96 | Very high | 94.7 | Very high | 3 Ų | 3 | 22.9 Ų | 22.9 | 1% | 0.014 | 12% | 0.12 | C | C | . | . | G | 310 helix | trans | -61.5 | -33.4 | 178.6 | 55.6 | -93.4 | -123.7 | 0 | 0 | 110.6 | N220 E268 F272 Q299 L300 I301 D302 | N220-E270 VanDerWaalsContact CB-OE2 3.25Å; N220-E270 WeakPolarHBondContact CB-OE2 3.47Å; N220-E270 PolarHBondContact ND2-OE1 2.79Å; N220-E270 VanDerWaalsContact ND2-OE1 3.14Å; N220-E270 PolarHBondContact ND2-OE2 3.4Å; N220-E270 PolarHBondContact OD1-OE2 2.84Å; N220-E270 VanDerWaalsContact OD1-OE2 3.09Å; E268-E270 WeakPolarHBondContact CA-OE2 3.25Å; E268-E270 PolarHBondContact O-N 3.16Å; E268-E270 VanDerWaalsContact O-N 3.15Å; E268-E270 VanDerWaalsContact OE2-CD 3.27Å; E270-F272 PolarHBondContact O-N 3.17Å; E270-Q299 HydrophobicContact CG-CG 4.21Å; E270-Q299 CarbonylContact O-C 3.58Å; E270-Q299 WeakPolarHBondContact O-CA 3.47Å; E270-L300 PolarHBondContact O-N 3.26Å; E270-I301 PolarHBondContact O-N 3.44Å; E270-D302 HydrophobicContact CB-CB 4.42Å; E270-D302 WeakPolarHBondContact CB-OD1 3.5Å |
| 271 | E | 95.7 | Very high | 95.8 | Very high | 2 Ų | 2 | 19.8 Ų | 19.8 | 1% | 0.009 | 10% | 0.103 | C | C | . | . | G | 310 helix | trans | -69.9 | -14.2 | 178.5 | -66.5 | -66.7 | 174 | 0 | 0 | 113.3 | S46 W155 E268 W269 G273 R274 Q299 | S46-E271 WeakPolarHBondContact O-CB 3.37Å; W155-E271 HydrophobicContact CZ2-CG 4.48Å; W155-E271 PolarHBondContact NE1-OE1 3.26Å; W155-E271 VanDerWaalsContact NE1-OE1 3.14Å; E268-E271 PolarHBondContact O-N 3.32Å; W269-E271 PolarHBondContact O-N 3.32Å; E271-G273 PolarHBondContact O-N 2.74Å; E271-R274 VanDerWaalsContact O-CG 3.31Å; E271-R274 WeakPolarHBondContact O-CG 3.44Å; E271-R274 PolarHBondContact O-N 3.43Å; E271-Q299 PolarHBondContact OE1-NE2 3.48Å; E271-Q299 PolarHBondContact OE2-N 3.35Å |
| 272 | F | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 132.2 | 179.6 | -173 | -105.9 | 0 | 0 | 0 | 111.5 | E29 M30 D33 T47 W269 E270 E277 L278 I301 | E29-F272 HydrophobicContact CB-CZ 3.76Å; M30-F272 HydrophobicContact CB-CZ 4.41Å; M30-F272 HydrophobicContact CE-CB 4.24Å; M30-F272 HydrophobicContact CE-CD1 4.26Å; M30-F272 HydrophobicContact CE-CG 4.23Å; M30-F272 HydrophobicContact CG-CD1 3.5Å; M30-F272 HydrophobicContact CG-CD2 4.03Å; M30-F272 HydrophobicContact CG-CE1 3.35Å; M30-F272 HydrophobicContact CG-CE2 3.91Å; M30-F272 HydrophobicContact CG-CG 3.85Å; M30-F272 HydrophobicContact CG-CZ 3.57Å; M30-F272 HydrophobicContact SD-CD1 4.04Å; M30-F272 HydrophobicContact SD-CE1 4.29Å; D33-F272 HydrophobicContact CB-CD2 4.01Å; D33-F272 HydrophobicContact CB-CE2 3.75Å; T47-F272 HydrophobicContact CG2-CB 3.98Å; T47-F272 HydrophobicContact CG2-CD2 4.38Å; W269-F272 WeakPolarHBondContact O-CB 3.35Å; W269-F272 PolarHBondContact O-N 3.28Å; E270-F272 PolarHBondContact O-N 3.17Å; F272-E277 HydrophobicContact CE1-CB 3.93Å; F272-E277 HydrophobicContact CE2-CB 3.81Å; F272-E277 HydrophobicContact CE2-CG 3.8Å; F272-E277 HydrophobicContact CZ-CB 3.41Å; F272-E277 VanDerWaalsContact CZ-CB 3.41Å; F272-E277 HydrophobicContact CZ-CG 3.91Å; F272-L278 HydrophobicContact CD1-CD1 3.89Å; F272-L278 HydrophobicContact CD1-CD2 3.9Å; F272-L278 HydrophobicContact CD1-CG 3.8Å; F272-L278 HydrophobicContact CE1-CD1 4.4Å; F272-L278 HydrophobicContact CE1-CD2 3.59Å; F272-L278 HydrophobicContact CE1-CG 3.81Å; F272-L278 WeakPolarHBondContact O-CD1 3.08Å; F272-I301 HydrophobicContact CB-CG1 4.11Å; F272-I301 HydrophobicContact CD1-CD1 4.45Å |
| 273 | G | 96.9 | Very high | 96.9 | Very high | 2 Ų | 2 | 20.1 Ų | 20.1 | 2% | 0.021 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 103.4 | -8.2 | -176 | 0 | 0 | 0 | 0 | 0 | 114.8 | E271 N275 G276 E277 L300 | E271-G273 PolarHBondContact O-N 2.74Å; G273-N275 PolarHBondContact O-N 2.85Å; G273-G276 PolarHBondContact O-N 3.41Å; G273-E277 WeakPolarHBondContact CA-OE2 3.12Å; G273-E277 PolarHBondContact N-OE2 3.29Å; G273-L300 VanDerWaalsContact O-CD1 3.26Å; G273-L300 WeakPolarHBondContact O-CD1 3.09Å |
| 274 | R | 94.8 | Very high | 97.1 | Very high | 55 Ų | 55 | 25 Ų | 25 | 21% | 0.208 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -21.7 | 175.7 | 62.2 | 176 | -111.9 | -167.6 | -9.5 | 114 | S46 E271 R298 | S46-R274 WeakPolarHBondContact OG-CG 3.39Å; E271-R274 VanDerWaalsContact O-CG 3.31Å; E271-R274 WeakPolarHBondContact O-CG 3.44Å; E271-R274 PolarHBondContact O-N 3.43Å; R274-R298 VanDerWaalsContact NH1-NH1 3.17Å |
| 275 | N | 96.4 | Very high | 97.3 | Very high | 90 Ų | 90 | 26.3 Ų | 26.3 | 48% | 0.481 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | 13.3 | 175 | -51.3 | -39.6 | 0 | 0 | 0 | 112.3 | P44 S46 G273 E277 | P44-N275 PolarHBondContact O-ND2 2.54Å; S46-N275 PolarHBondContact OG-ND2 2.83Å; G273-N275 PolarHBondContact O-N 2.85Å; N275-E277 VanDerWaalsContact C-OE2 3.3Å; N275-E277 VanDerWaalsContact CA-OE2 3.31Å; N275-E277 WeakPolarHBondContact CA-OE2 3.23Å; N275-E277 WeakPolarHBondContact CB-OE1 3.43Å; N275-E277 WeakPolarHBondContact CB-OE2 3.31Å; N275-E277 PolarHBondContact N-OE2 3.14Å; N275-E277 PolarHBondContact ND2-OE1 3.41Å |
| 276 | G | 96.4 | Very high | 97.3 | Very high | 27 Ų | 27 | 26.5 Ų | 26.5 | 28% | 0.278 | 14% | 0.141 | S | C | . | . | S | Bend | trans | 90.8 | 6.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | G273 L278 D279 | G273-G276 PolarHBondContact O-N 3.41Å; G276-L278 PolarHBondContact O-N 3.33Å; G276-L278 VanDerWaalsContact O-N 3.14Å; G276-D279 WeakPolarHBondContact CA-OD2 3.47Å; G276-D279 WeakPolarHBondContact O-CB 3.37Å; G276-D279 PolarHBondContact O-N 3.2Å; G276-D279 VanDerWaalsContact O-N 3.11Å |
| 277 | E | 97.8 | Very high | 97.3 | Very high | 34 Ų | 34 | 31.5 Ų | 31.5 | 16% | 0.159 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -30.9 | -177.1 | -57.1 | 92.8 | 150.1 | 0 | 0 | 112.3 | S46 F272 G273 N275 F280 | S46-E277 WeakPolarHBondContact CB-OE1 3.26Å; S46-E277 PolarHBondContact OG-OE1 3.04Å; S46-E277 PolarHBondContact OG-OE2 2.87Å; F272-E277 HydrophobicContact CE1-CB 3.93Å; F272-E277 HydrophobicContact CE2-CB 3.81Å; F272-E277 HydrophobicContact CE2-CG 3.8Å; F272-E277 HydrophobicContact CZ-CB 3.41Å; F272-E277 VanDerWaalsContact CZ-CB 3.41Å; F272-E277 HydrophobicContact CZ-CG 3.91Å; G273-E277 WeakPolarHBondContact CA-OE2 3.12Å; G273-E277 PolarHBondContact N-OE2 3.29Å; N275-E277 VanDerWaalsContact C-OE2 3.3Å; N275-E277 VanDerWaalsContact CA-OE2 3.31Å; N275-E277 WeakPolarHBondContact CA-OE2 3.23Å; N275-E277 WeakPolarHBondContact CB-OE1 3.43Å; N275-E277 WeakPolarHBondContact CB-OE2 3.31Å; N275-E277 PolarHBondContact N-OE2 3.14Å; N275-E277 PolarHBondContact ND2-OE1 3.41Å; E277-F280 VanDerWaalsContact O-CD1 3.25Å; E277-F280 WeakPolarHBondContact O-CD1 3.44Å; E277-F280 WeakPolarHBondContact O-CE1 3.48Å |
| 278 | L | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | 7 | -178.7 | -64.9 | 177.6 | 0 | 0 | 0 | 114.4 | I26 F272 G276 F280 I281 K282 L300 I301 F304 | I26-L278 HydrophobicContact CG1-CD2 4.26Å; I26-L278 HydrophobicContact CG2-CD2 4.29Å; F272-L278 HydrophobicContact CD1-CD1 3.89Å; F272-L278 HydrophobicContact CD1-CD2 3.9Å; F272-L278 HydrophobicContact CD1-CG 3.8Å; F272-L278 HydrophobicContact CE1-CD1 4.4Å; F272-L278 HydrophobicContact CE1-CD2 3.59Å; F272-L278 HydrophobicContact CE1-CG 3.81Å; F272-L278 WeakPolarHBondContact O-CD1 3.08Å; G276-L278 PolarHBondContact O-N 3.33Å; G276-L278 VanDerWaalsContact O-N 3.14Å; L278-F280 PolarHBondContact O-N 3.29Å; L278-F280 VanDerWaalsContact O-N 3.11Å; L278-I281 HydrophobicContact CB-CG1 4.3Å; L278-I281 HydrophobicContact CD2-CD1 4.13Å; L278-I281 HydrophobicContact CD2-CG1 4.48Å; L278-I281 VanDerWaalsContact O-CG1 3.24Å; L278-I281 WeakPolarHBondContact O-CG1 3.1Å; L278-I281 PolarHBondContact O-N 2.99Å; L278-I281 VanDerWaalsContact O-N 3.13Å; L278-K282 PolarHBondContact O-N 2.89Å; L278-L300 HydrophobicContact CD1-CB 4.26Å; L278-I301 HydrophobicContact CD1-CD1 3.57Å; L278-I301 HydrophobicContact CD1-CG1 4.02Å; L278-F304 HydrophobicContact CB-CE2 4.03Å; L278-F304 HydrophobicContact CD1-CD2 4.16Å; L278-F304 HydrophobicContact CD1-CE2 3.76Å; L278-F304 HydrophobicContact CG-CE2 4.44Å |
| 279 | D | 97.6 | Very high | 97.2 | Very high | 80 Ų | 80 | 35.3 Ų | 35.3 | 43% | 0.428 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -25 | -174.5 | -80.1 | -15.9 | 0 | 0 | 0 | 113.4 | G276 I281 K282 | G276-D279 WeakPolarHBondContact CA-OD2 3.47Å; G276-D279 WeakPolarHBondContact O-CB 3.37Å; G276-D279 PolarHBondContact O-N 3.2Å; G276-D279 VanDerWaalsContact O-N 3.11Å; D279-I281 VanDerWaalsContact C-N 3.27Å; D279-I281 PolarHBondContact O-N 3.44Å; D279-K282 PolarHBondContact O-N 2.72Å; D279-K282 IonicContact OD1-NZ 3.9Å; D279-K282 PolarHBondContact OD1-NZ 3.19Å |
| 280 | F | 97.6 | Very high | 97.1 | Very high | 66 Ų | 66 | 35.9 Ų | 35.9 | 29% | 0.289 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -15.4 | 179.6 | 72.1 | -84.6 | 0 | 0 | 0 | 114.5 | T22 R25 I26 E277 L278 | T22-F280 HydrophobicContact CG2-CE2 3.99Å; R25-F280 HydrophobicContact CB-CE2 4.45Å; R25-F280 HydrophobicContact CB-CZ 4.24Å; R25-F280 HydrophobicContact CG-CE1 4.3Å; R25-F280 HydrophobicContact CG-CE2 4.16Å; R25-F280 HydrophobicContact CG-CZ 3.74Å; R25-F280 VanDerWaalsContact CZ-CD1 3.49Å; R25-F280 VanDerWaalsContact CZ-CG 3.48Å; R25-F280 VanDerWaalsContact NH1-CG 3.33Å; I26-F280 HydrophobicContact CG1-CE2 4.43Å; I26-F280 HydrophobicContact CG1-CZ 3.72Å; E277-F280 VanDerWaalsContact O-CD1 3.25Å; E277-F280 WeakPolarHBondContact O-CD1 3.44Å; E277-F280 WeakPolarHBondContact O-CE1 3.48Å; L278-F280 PolarHBondContact O-N 3.29Å; L278-F280 VanDerWaalsContact O-N 3.11Å |
| 281 | I | 98 | Very high | 97.1 | Very high | 15 Ų | 15 | 41 Ų | 41 | 8% | 0.077 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | -6.4 | 173.5 | 63.1 | 162.2 | 0 | 0 | 0 | 113 | L18 T22 I26 L278 D279 T283 F304 I396 | L18-I281 HydrophobicContact CD2-CB 4.36Å; L18-I281 HydrophobicContact CD2-CG2 4.07Å; T22-I281 HydrophobicContact CG2-CG2 3.64Å; I26-I281 HydrophobicContact CD1-CD1 3.95Å; I26-I281 HydrophobicContact CD1-CG2 4.44Å; L278-I281 HydrophobicContact CB-CG1 4.3Å; L278-I281 HydrophobicContact CD2-CD1 4.13Å; L278-I281 HydrophobicContact CD2-CG1 4.48Å; L278-I281 VanDerWaalsContact O-CG1 3.24Å; L278-I281 WeakPolarHBondContact O-CG1 3.1Å; L278-I281 PolarHBondContact O-N 2.99Å; L278-I281 VanDerWaalsContact O-N 3.13Å; D279-I281 VanDerWaalsContact C-N 3.27Å; D279-I281 PolarHBondContact O-N 3.44Å; I281-T283 PolarHBondContact O-N 2.99Å; I281-F304 HydrophobicContact CD1-CD2 3.96Å; I281-F304 HydrophobicContact CD1-CE2 3.65Å; I281-F304 HydrophobicContact CG1-CE2 3.99Å; I281-I396 HydrophobicContact CD1-CD1 3.94Å; I281-I396 HydrophobicContact CD1-CG1 4.36Å |
| 282 | K | 97.3 | Very high | 96.9 | Very high | 28 Ų | 28 | 45.9 Ų | 45.9 | 12% | 0.122 | 23% | 0.227 | C | C | . | . | trans | -74.5 | 116.1 | -174.4 | -169.6 | 178.9 | -73.1 | 158.8 | 0 | 110.7 | L278 D279 D286 R287 F304 | L278-K282 PolarHBondContact O-N 2.89Å; D279-K282 PolarHBondContact O-N 2.72Å; D279-K282 IonicContact OD1-NZ 3.9Å; D279-K282 PolarHBondContact OD1-NZ 3.19Å; K282-D286 HydrophobicContact CG-CB 3.88Å; K282-R287 HydrophobicContact CD-CG 3.88Å; K282-R287 HydrophobicContact CG-CG 4.04Å; K282-R287 PolarHBondContact O-NH1 3.46Å; K282-R287 PolarHBondContact O-NH2 3.01Å; K282-F304 HydrophobicContact CB-CZ 4.38Å; K282-F304 HydrophobicContact CG-CZ 4.4Å | ||
| 283 | T | 98.3 | Very high | 96.5 | Very high | 12 Ų | 12 | 46.6 Ų | 46.6 | 7% | 0.074 | 23% | 0.232 | C | C | . | . | trans | -82.3 | 172.9 | 176.7 | 72.7 | 0 | 0 | 0 | 0 | 111.9 | P15 F16 I281 Y285 D286 R287 | P15-T283 HydrophobicContact CB-CG2 3.95Å; F16-T283 HydrophobicContact CD2-CG2 4.29Å; F16-T283 HydrophobicContact CE1-CG2 4.35Å; F16-T283 HydrophobicContact CE2-CG2 3.9Å; F16-T283 HydrophobicContact CZ-CG2 3.91Å; I281-T283 PolarHBondContact O-N 2.99Å; T283-Y285 VanDerWaalsContact C-N 3.26Å; T283-Y285 PolarHBondContact O-N 3.38Å; T283-Y285 PolarHBondContact OG1-N 3.19Å; T283-D286 VanDerWaalsContact CB-OD2 3.3Å; T283-D286 WeakPolarHBondContact CB-OD2 3.1Å; T283-D286 WeakPolarHBondContact CG2-OD2 3.46Å; T283-D286 PolarHBondContact N-OD2 3.41Å; T283-D286 PolarHBondContact O-N 3.44Å; T283-D286 VanDerWaalsContact OG1-CG 3.27Å; T283-D286 PolarHBondContact OG1-N 2.68Å; T283-D286 PolarHBondContact OG1-OD2 3.31Å; T283-R287 WeakPolarHBondContact O-CG 3.25Å; T283-R287 PolarHBondContact O-N 3.27Å; T283-R287 PolarHBondContact O-NH1 2.66Å | ||
| 284 | T | 97.8 | Very high | 95.9 | Very high | 102 Ų | 102 | 51.6 Ų | 51.6 | 63% | 0.626 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -63 | -35.5 | 172.3 | -56.8 | 0 | 0 | 0 | 0 | 111.6 | R287 E288 | T284-R287 WeakPolarHBondContact O-CB 3.38Å; T284-R287 PolarHBondContact O-N 3.4Å; T284-E288 PolarHBondContact O-N 3.45Å |
| 285 | Y | 98.2 | Very high | 95.5 | Very high | 28 Ų | 28 | 51.1 Ų | 51.1 | 11% | 0.11 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -69.4 | -37.5 | 179.5 | -48.4 | -70.6 | 0 | 0 | 0 | 111.9 | V12 F16 T283 R287 E288 I289 I316 L317 Q320 | V12-Y285 HydrophobicContact CG1-CE2 3.81Å; V12-Y285 WeakPolarHBondContact CG1-OH 3.47Å; F16-Y285 AromaticContact CE2-CD2 3.88Å; F16-Y285 HydrophobicContact CE2-CD2 3.88Å; F16-Y285 HydrophobicContact CE2-CE2 4.27Å; F16-Y285 AromaticContact CZ-CD2 3.69Å; F16-Y285 HydrophobicContact CZ-CD2 3.69Å; F16-Y285 HydrophobicContact CZ-CE2 4.5Å; F16-Y285 HydrophobicContact CZ-CG 4.4Å; T283-Y285 VanDerWaalsContact C-N 3.26Å; T283-Y285 PolarHBondContact O-N 3.38Å; T283-Y285 PolarHBondContact OG1-N 3.19Å; Y285-R287 VanDerWaalsContact C-N 3.3Å; Y285-R287 PolarHBondContact O-N 2.78Å; Y285-E288 WeakPolarHBondContact O-CB 3.35Å; Y285-E288 PolarHBondContact O-N 3.45Å; Y285-I289 PolarHBondContact O-N 3.5Å; Y285-I316 HydrophobicContact CD1-CG2 3.55Å; Y285-I316 HydrophobicContact CE1-CG2 4.45Å; Y285-I316 HydrophobicContact CG-CG2 4.24Å; Y285-L317 HydrophobicContact CD1-CD2 4.17Å; Y285-L317 HydrophobicContact CD2-CD2 3.61Å; Y285-L317 HydrophobicContact CE1-CD2 4.24Å; Y285-L317 HydrophobicContact CE2-CD2 3.7Å; Y285-L317 HydrophobicContact CG-CD2 3.83Å; Y285-Q320 HydrophobicContact CE1-CB 4.06Å; Y285-Q320 HydrophobicContact CE1-CG 4.04Å |
| 286 | D | 98 | Very high | 95.3 | Very high | 5 Ų | 5 | 52.9 Ų | 52.9 | 3% | 0.027 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64 | -37.6 | 173 | -63.5 | -55.2 | 0 | 0 | 0 | 112 | K282 T283 E288 I289 D290 F304 R392 | K282-D286 HydrophobicContact CG-CB 3.88Å; T283-D286 VanDerWaalsContact CB-OD2 3.3Å; T283-D286 WeakPolarHBondContact CB-OD2 3.1Å; T283-D286 WeakPolarHBondContact CG2-OD2 3.46Å; T283-D286 PolarHBondContact N-OD2 3.41Å; T283-D286 PolarHBondContact O-N 3.44Å; T283-D286 VanDerWaalsContact OG1-CG 3.27Å; T283-D286 PolarHBondContact OG1-N 2.68Å; T283-D286 PolarHBondContact OG1-OD2 3.31Å; D286-E288 VanDerWaalsContact C-N 3.31Å; D286-I289 PolarHBondContact O-N 3.04Å; D286-D290 WeakPolarHBondContact O-CB 3.33Å; D286-D290 PolarHBondContact O-N 3.13Å; D286-F304 HydrophobicContact CB-CD1 4.47Å; D286-F304 HydrophobicContact CB-CE1 3.77Å; D286-R392 IonicContact OD1-CZ 2.7Å; D286-R392 VanDerWaalsContact OD1-CZ 3.27Å; D286-R392 IonicContact OD1-NH1 3.22Å; D286-R392 PolarHBondContact OD1-NH1 3.11Å; D286-R392 IonicContact OD1-NH2 3.98Å; D286-R392 PolarHBondContact OD1-NH2 3.49Å; D286-R392 IonicContact OD2-CZ 3.54Å; D286-R392 IonicContact OD2-NH1 3.47Å; D286-R392 PolarHBondContact OD2-NH1 3.09Å |
| 287 | R | 97.4 | Very high | 95.1 | Very high | 112 Ų | 112 | 53.1 Ų | 53.1 | 42% | 0.423 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.3 | -38.5 | 174.2 | -68.6 | 177.2 | -177.2 | 80.7 | 1 | 111 | K282 T283 T284 Y285 D290 Q291 | K282-R287 HydrophobicContact CD-CG 3.88Å; K282-R287 HydrophobicContact CG-CG 4.04Å; K282-R287 PolarHBondContact O-NH1 3.46Å; K282-R287 PolarHBondContact O-NH2 3.01Å; T283-R287 WeakPolarHBondContact O-CG 3.25Å; T283-R287 PolarHBondContact O-N 3.27Å; T283-R287 PolarHBondContact O-NH1 2.66Å; T284-R287 WeakPolarHBondContact O-CB 3.38Å; T284-R287 PolarHBondContact O-N 3.4Å; Y285-R287 VanDerWaalsContact C-N 3.3Å; Y285-R287 PolarHBondContact O-N 2.78Å; R287-D290 PolarHBondContact O-N 3.33Å; R287-Q291 WeakPolarHBondContact O-CB 3.5Å; R287-Q291 VanDerWaalsContact O-CG 3.22Å; R287-Q291 WeakPolarHBondContact O-CG 3.38Å; R287-Q291 PolarHBondContact O-N 2.81Å |
| 288 | E | 97.1 | Very high | 94.9 | Very high | 74 Ų | 74 | 55.9 Ų | 55.9 | 35% | 0.346 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.3 | -49.7 | 176.1 | -176.6 | 174.3 | 167.1 | 0 | 0 | 111.7 | T284 Y285 D286 D290 Q291 Q292 I316 | T284-E288 PolarHBondContact O-N 3.45Å; Y285-E288 WeakPolarHBondContact O-CB 3.35Å; Y285-E288 PolarHBondContact O-N 3.45Å; D286-E288 VanDerWaalsContact C-N 3.31Å; E288-D290 VanDerWaalsContact C-N 3.32Å; E288-D290 PolarHBondContact O-N 3.5Å; E288-Q291 PolarHBondContact O-N 2.55Å; E288-Q292 VanDerWaalsContact CG-NE2 3.32Å; E288-Q292 WeakPolarHBondContact O-CG 3.43Å; E288-Q292 PolarHBondContact O-N 3.16Å; E288-Q292 VanDerWaalsContact O-N 3.09Å; E288-Q292 PolarHBondContact OE1-NE2 3.36Å; E288-I316 HydrophobicContact CG-CD1 4.37Å |
| 289 | I | 96.8 | Very high | 94.7 | Very high | 6 Ų | 6 | 56.4 Ų | 56.4 | 3% | 0.031 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -56.4 | -47.4 | 175.4 | -68.5 | 174.1 | 0 | 0 | 0 | 110.8 | Y285 D286 Q291 Q292 S293 K303 F309 E312 L313 I316 | Y285-I289 PolarHBondContact O-N 3.5Å; D286-I289 PolarHBondContact O-N 3.04Å; I289-Q291 PolarHBondContact O-N 3.3Å; I289-Q292 PolarHBondContact O-N 3.25Å; I289-S293 WeakPolarHBondContact O-CB 3.36Å; I289-S293 PolarHBondContact O-N 2.91Å; I289-K303 HydrophobicContact CG2-CB 4.48Å; I289-K303 HydrophobicContact CG2-CG 4.29Å; I289-F309 HydrophobicContact CG2-CB 4.5Å; I289-F309 HydrophobicContact CG2-CD1 3.5Å; I289-F309 VanDerWaalsContact CG2-CD1 3.5Å; I289-F309 HydrophobicContact CG2-CE1 4Å; I289-F309 HydrophobicContact CG2-CG 4.28Å; I289-E312 HydrophobicContact CG1-CG 4.5Å; I289-L313 HydrophobicContact CD1-CB 3.58Å; I289-L313 HydrophobicContact CD1-CD1 3.78Å; I289-L313 HydrophobicContact CD1-CG 4.2Å; I289-I316 HydrophobicContact CD1-CD1 4.18Å; I289-I316 HydrophobicContact CG1-CD1 3.53Å |
| 290 | D | 95.7 | Very high | 94.6 | Very high | 13 Ų | 13 | 52.7 Ų | 52.7 | 7% | 0.07 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60 | -44.4 | 179.3 | -178.1 | 48.4 | 0 | 0 | 0 | 112.1 | D286 R287 E288 Q292 S293 G297 K303 | D286-D290 WeakPolarHBondContact O-CB 3.33Å; D286-D290 PolarHBondContact O-N 3.13Å; R287-D290 PolarHBondContact O-N 3.33Å; E288-D290 VanDerWaalsContact C-N 3.32Å; E288-D290 PolarHBondContact O-N 3.5Å; D290-Q292 VanDerWaalsContact C-N 3.32Å; D290-Q292 PolarHBondContact O-N 2.74Å; D290-S293 PolarHBondContact O-N 3.42Å; D290-S293 PolarHBondContact O-OG 3.49Å; D290-G297 PolarHBondContact OD1-N 3.34Å; D290-G297 PolarHBondContact OD2-N 2.92Å; D290-K303 HydrophobicContact CB-CD 4.28Å; D290-K303 IonicContact OD1-NZ 3.65Å; D290-K303 PolarHBondContact OD1-NZ 3.27Å |
| 291 | Q | 95.5 | Very high | 94.6 | Very high | 109 Ų | 109 | 49.6 Ų | 49.6 | 51% | 0.509 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -68.7 | -27.8 | -179 | -72.8 | -57 | -29.7 | 0 | 0 | 114.2 | R287 E288 I289 K296 | R287-Q291 WeakPolarHBondContact O-CB 3.5Å; R287-Q291 VanDerWaalsContact O-CG 3.22Å; R287-Q291 WeakPolarHBondContact O-CG 3.38Å; R287-Q291 PolarHBondContact O-N 2.81Å; E288-Q291 PolarHBondContact O-N 2.55Å; I289-Q291 PolarHBondContact O-N 3.3Å; Q291-K296 WeakPolarHBondContact O-CE 3.21Å; Q291-K296 PolarHBondContact O-NZ 2.62Å; Q291-K296 VanDerWaalsContact O-NZ 3.11Å |
| 292 | Q | 91.8 | Very high | 94.5 | Very high | 106 Ų | 106 | 49.2 Ų | 49.2 | 50% | 0.495 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -87.5 | -17.8 | 176.4 | -64.9 | -179.4 | 22.6 | 0 | 0 | 112.7 | E288 I289 D290 | E288-Q292 VanDerWaalsContact CG-NE2 3.32Å; E288-Q292 WeakPolarHBondContact O-CG 3.43Å; E288-Q292 PolarHBondContact O-N 3.16Å; E288-Q292 VanDerWaalsContact O-N 3.09Å; E288-Q292 PolarHBondContact OE1-NE2 3.36Å; I289-Q292 PolarHBondContact O-N 3.25Å; D290-Q292 VanDerWaalsContact C-N 3.32Å; D290-Q292 PolarHBondContact O-N 2.74Å |
| 293 | S | 89.2 | Confident | 94.4 | Very high | 15 Ų | 15 | 48.1 Ų | 48.1 | 11% | 0.105 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -69.1 | 155.9 | 179.2 | 78 | 0 | 0 | 0 | 0 | 113.3 | I289 D290 H295 K303 | I289-S293 WeakPolarHBondContact O-CB 3.36Å; I289-S293 PolarHBondContact O-N 2.91Å; D290-S293 PolarHBondContact O-N 3.42Å; D290-S293 PolarHBondContact O-OG 3.49Å; S293-H295 VanDerWaalsContact C-N 3.28Å; S293-H295 PolarHBondContact O-N 3.11Å; S293-H295 PolarHBondContact OG-O 3.29Å; S293-K303 WeakPolarHBondContact OG-CE 3.12Å; S293-K303 PolarHBondContact OG-NZ 2.92Å |
| 294 | V | 84.4 | Confident | 94.4 | Very high | 106 Ų | 106 | 47.6 Ų | 47.6 | 64% | 0.642 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -60.4 | -38.3 | 176.1 | 178.9 | 0 | 0 | 0 | 0 | 111.6 | ||
| 295 | H | 86.1 | Confident | 94.3 | Very high | 46 Ų | 46 | 42.8 Ų | 42.8 | 21% | 0.213 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -114.7 | 82.9 | -174.8 | -54 | -66.5 | 0 | 0 | 0 | 110.7 | W156 S293 R298 K303 | W156-H295 PolarHBondContact O-CE1 2.83Å; W156-H295 PolarHBondContact O-NE2 2.87Å; S293-H295 VanDerWaalsContact C-N 3.28Å; S293-H295 PolarHBondContact O-N 3.11Å; S293-H295 PolarHBondContact OG-O 3.29Å; H295-R298 HydrophobicContact CB-CB 4.09Å; H295-R298 PolarHBondContact O-N 3.28Å; H295-K303 PolarHBondContact O-NZ 3.13Å |
| 296 | K | 92.3 | Very high | 94.1 | Very high | 127 Ų | 127 | 41.4 Ų | 41.4 | 55% | 0.552 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | 135.8 | -177.1 | -54.4 | -176.8 | -175.7 | -161.8 | 0 | 111.8 | Q291 R298 | Q291-K296 WeakPolarHBondContact O-CE 3.21Å; Q291-K296 PolarHBondContact O-NZ 2.62Å; Q291-K296 VanDerWaalsContact O-NZ 3.11Å; K296-R298 PolarHBondContact O-N 2.65Å |
| 297 | G | 93 | Very high | 93.9 | Very high | 31 Ų | 31 | 42.1 Ų | 42.1 | 32% | 0.32 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.7 | 12 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | D290 | D290-G297 PolarHBondContact OD1-N 3.34Å; D290-G297 PolarHBondContact OD2-N 2.92Å |
| 298 | R | 92.6 | Very high | 93.5 | Very high | 93 Ų | 93 | 39.9 Ų | 39.9 | 35% | 0.351 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -124.2 | 164.7 | -178.7 | -58.5 | -73.9 | -134.5 | -179 | 7.8 | 111 | R274 H295 K296 L300 K303 | R274-R298 VanDerWaalsContact NH1-NH1 3.17Å; H295-R298 HydrophobicContact CB-CB 4.09Å; H295-R298 PolarHBondContact O-N 3.28Å; K296-R298 PolarHBondContact O-N 2.65Å; R298-L300 VanDerWaalsContact C-N 3.3Å; R298-L300 PolarHBondContact O-N 2.85Å; R298-K303 WeakPolarHBondContact O-CE 3.35Å; R298-K303 PolarHBondContact O-NZ 3.37Å |
| 299 | Q | 93.4 | Very high | 93.4 | Very high | 10 Ų | 10 | 37.6 Ų | 37.6 | 5% | 0.047 | 19% | 0.19 | C | C | . | . | trans | 46.6 | 49 | 177.6 | -53.7 | 90.6 | 37.2 | 0 | 0 | 113.6 | E270 E271 D302 K303 | E270-Q299 HydrophobicContact CG-CG 4.21Å; E270-Q299 CarbonylContact O-C 3.58Å; E270-Q299 WeakPolarHBondContact O-CA 3.47Å; E271-Q299 PolarHBondContact OE1-NE2 3.48Å; E271-Q299 PolarHBondContact OE2-N 3.35Å; Q299-D302 HydrophobicContact CB-CB 4.02Å; Q299-D302 WeakPolarHBondContact O-CB 3.3Å; Q299-D302 PolarHBondContact O-N 2.87Å; Q299-K303 PolarHBondContact O-N 3.05Å; Q299-K303 VanDerWaalsContact O-N 3.13Å | ||
| 300 | L | 96.3 | Very high | 93.4 | Very high | 3 Ų | 3 | 37.3 Ų | 37.3 | 2% | 0.016 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -71 | -34.7 | -173.4 | -68.1 | -173.8 | 0 | 0 | 0 | 112.6 | E270 G273 L278 R298 D302 K303 F304 | E270-L300 PolarHBondContact O-N 3.26Å; G273-L300 VanDerWaalsContact O-CD1 3.26Å; G273-L300 WeakPolarHBondContact O-CD1 3.09Å; L278-L300 HydrophobicContact CD1-CB 4.26Å; R298-L300 VanDerWaalsContact C-N 3.3Å; R298-L300 PolarHBondContact O-N 2.85Å; L300-D302 VanDerWaalsContact C-N 3.33Å; L300-K303 HydrophobicContact CD2-CD 4.13Å; L300-K303 PolarHBondContact O-N 3.16Å; L300-F304 VanDerWaalsContact O-CG 3.25Å; L300-F304 WeakPolarHBondContact O-CG 3.42Å; L300-F304 PolarHBondContact O-N 3.33Å |
| 301 | I | 97.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.2 | -41.1 | 174.6 | -66.6 | -69.2 | 0 | 0 | 0 | 110 | C219 E270 F272 L278 K303 F304 T305 I396 | C219-I301 HydrophobicContact CB-CG2 4.47Å; E270-I301 PolarHBondContact O-N 3.44Å; F272-I301 HydrophobicContact CB-CG1 4.11Å; F272-I301 HydrophobicContact CD1-CD1 4.45Å; L278-I301 HydrophobicContact CD1-CD1 3.57Å; L278-I301 HydrophobicContact CD1-CG1 4.02Å; I301-K303 VanDerWaalsContact C-N 3.31Å; I301-K303 PolarHBondContact O-N 3.01Å; I301-F304 PolarHBondContact O-N 3.11Å; I301-F304 VanDerWaalsContact O-N 3.12Å; I301-T305 HydrophobicContact CG2-CG2 4.26Å; I301-T305 WeakPolarHBondContact O-CB 3.21Å; I301-T305 WeakPolarHBondContact O-CG2 3.28Å; I301-T305 PolarHBondContact O-N 2.63Å; I301-T305 PolarHBondContact O-OG1 3.48Å; I301-I396 HydrophobicContact CD1-CG2 3.51Å |
| 302 | D | 94.9 | Very high | 93.6 | Very high | 8 Ų | 8 | 32.1 Ų | 32.1 | 4% | 0.043 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -55.8 | -46.8 | 171.8 | -90.5 | 11.9 | 0 | 0 | 0 | 111.3 | G218 C219 E270 Q299 L300 F304 T305 G306 F309 | G218-D302 WeakPolarHBondContact CA-OD1 3.4Å; C219-D302 PolarHBondContact N-OD1 3.26Å; E270-D302 HydrophobicContact CB-CB 4.42Å; E270-D302 WeakPolarHBondContact CB-OD1 3.5Å; Q299-D302 HydrophobicContact CB-CB 4.02Å; Q299-D302 WeakPolarHBondContact O-CB 3.3Å; Q299-D302 PolarHBondContact O-N 2.87Å; L300-D302 VanDerWaalsContact C-N 3.33Å; D302-F304 PolarHBondContact O-N 3.48Å; D302-T305 PolarHBondContact O-N 3.41Å; D302-G306 WeakPolarHBondContact O-CA 3.38Å; D302-G306 PolarHBondContact O-N 2.96Å; D302-F309 HydrophobicContact CB-CD2 4.48Å; D302-F309 HydrophobicContact CB-CE2 4.14Å; D302-F309 WeakPolarHBondContact O-CD2 3.44Å |
| 303 | K | 95.8 | Very high | 93.9 | Very high | 4 Ų | 4 | 27.1 Ų | 27.1 | 2% | 0.017 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.4 | -31 | 178.6 | -73.1 | 163.8 | -179.6 | 160.1 | 0 | 113.3 | I289 D290 S293 H295 R298 Q299 L300 I301 F309 | I289-K303 HydrophobicContact CG2-CB 4.48Å; I289-K303 HydrophobicContact CG2-CG 4.29Å; D290-K303 HydrophobicContact CB-CD 4.28Å; D290-K303 IonicContact OD1-NZ 3.65Å; D290-K303 PolarHBondContact OD1-NZ 3.27Å; S293-K303 WeakPolarHBondContact OG-CE 3.12Å; S293-K303 PolarHBondContact OG-NZ 2.92Å; H295-K303 PolarHBondContact O-NZ 3.13Å; R298-K303 WeakPolarHBondContact O-CE 3.35Å; R298-K303 PolarHBondContact O-NZ 3.37Å; Q299-K303 PolarHBondContact O-N 3.05Å; Q299-K303 VanDerWaalsContact O-N 3.13Å; L300-K303 HydrophobicContact CD2-CD 4.13Å; L300-K303 PolarHBondContact O-N 3.16Å; I301-K303 VanDerWaalsContact C-N 3.31Å; I301-K303 PolarHBondContact O-N 3.01Å; K303-F309 VanDerWaalsContact CA-CD2 3.45Å; K303-F309 HydrophobicContact CB-CD2 4.31Å; K303-F309 HydrophobicContact CB-CE2 4.46Å; K303-F309 HydrophobicContact CB-CG 4.4Å; K303-F309 HydrophobicContact CG-CD1 4.12Å; K303-F309 HydrophobicContact CG-CD2 3.94Å; K303-F309 HydrophobicContact CG-CE1 3.87Å; K303-F309 HydrophobicContact CG-CE2 3.65Å; K303-F309 HydrophobicContact CG-CG 4.13Å; K303-F309 HydrophobicContact CG-CZ 3.61Å; K303-F309 WeakPolarHBondContact O-CB 3.19Å |
| 304 | F | 97.5 | Very high | 94.4 | Very high | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.009 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -83 | -29.7 | 177.9 | -64.6 | -13.9 | 0 | 0 | 0 | 113.5 | L278 I281 K282 D286 L300 I301 D302 I396 | L278-F304 HydrophobicContact CB-CE2 4.03Å; L278-F304 HydrophobicContact CD1-CD2 4.16Å; L278-F304 HydrophobicContact CD1-CE2 3.76Å; L278-F304 HydrophobicContact CG-CE2 4.44Å; I281-F304 HydrophobicContact CD1-CD2 3.96Å; I281-F304 HydrophobicContact CD1-CE2 3.65Å; I281-F304 HydrophobicContact CG1-CE2 3.99Å; K282-F304 HydrophobicContact CB-CZ 4.38Å; K282-F304 HydrophobicContact CG-CZ 4.4Å; D286-F304 HydrophobicContact CB-CD1 4.47Å; D286-F304 HydrophobicContact CB-CE1 3.77Å; L300-F304 VanDerWaalsContact O-CG 3.25Å; L300-F304 WeakPolarHBondContact O-CG 3.42Å; L300-F304 PolarHBondContact O-N 3.33Å; I301-F304 PolarHBondContact O-N 3.11Å; I301-F304 VanDerWaalsContact O-N 3.12Å; D302-F304 PolarHBondContact O-N 3.48Å; F304-I396 HydrophobicContact CB-CD1 3.71Å; F304-I396 HydrophobicContact CD2-CD1 3.85Å; F304-I396 HydrophobicContact CG-CD1 4.09Å |
| 305 | T | 97.3 | Very high | 95 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -126.3 | -32.8 | -162.1 | 67.4 | 0 | 0 | 0 | 0 | 115 | C219 I301 D302 S393 I396 V397 L421 | C219-T305 WeakPolarHBondContact CB-OG1 3.22Å; I301-T305 HydrophobicContact CG2-CG2 4.26Å; I301-T305 WeakPolarHBondContact O-CB 3.21Å; I301-T305 WeakPolarHBondContact O-CG2 3.28Å; I301-T305 PolarHBondContact O-N 2.63Å; I301-T305 PolarHBondContact O-OG1 3.48Å; D302-T305 PolarHBondContact O-N 3.41Å; T305-S393 WeakPolarHBondContact CA-OG 3.35Å; T305-S393 WeakPolarHBondContact CB-OG 3.26Å; T305-S393 PolarHBondContact O-OG 2.91Å; T305-I396 HydrophobicContact CG2-CB 3.8Å; T305-I396 HydrophobicContact CG2-CG2 3.68Å; T305-V397 HydrophobicContact CG2-CG2 3.79Å; T305-L421 WeakPolarHBondContact O-CD1 3.36Å |
| 306 | G | 93.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.097 | C | C | . | . | trans | -72.5 | 142 | -171.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D302 F308 F309 L310 | D302-G306 WeakPolarHBondContact O-CA 3.38Å; D302-G306 PolarHBondContact O-N 2.96Å; G306-F308 PolarHBondContact O-N 3.45Å; G306-F309 PolarHBondContact O-N 3.37Å; G306-L310 WeakPolarHBondContact O-CG 3.28Å; G306-L310 PolarHBondContact O-N 2.99Å | ||
| 307 | A | 93.2 | Very high | 95.9 | Very high | 19 Ų | 19 | 13.6 Ų | 13.6 | 16% | 0.157 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -60.9 | -17.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | G216 F309 T344 L421 | G216-A307 WeakPolarHBondContact O-CA 3.4Å; G216-A307 WeakPolarHBondContact O-CB 3.34Å; G216-A307 PolarHBondContact O-N 2.92Å; A307-F309 VanDerWaalsContact C-N 3.3Å; A307-T344 HydrophobicContact CB-CG2 3.99Å; A307-T344 WeakPolarHBondContact O-CB 3.47Å; A307-T344 PolarHBondContact O-OG1 3.28Å; A307-L421 HydrophobicContact CB-CD1 4.46Å; A307-L421 HydrophobicContact CB-CD2 3.96Å; A307-L421 HydrophobicContact CB-CG 4.09Å |
| 308 | F | 90.8 | Very high | 96.2 | Very high | 66 Ų | 66 | 12.2 Ų | 12.2 | 29% | 0.289 | 6% | 0.055 | S | C | . | . | H | α-helix | trans | -65.4 | -32.2 | 172.3 | -175.5 | -119.2 | 0 | 0 | 0 | 112.8 | Y217 G306 | Y217-F308 HydrophobicContact CD1-CB 3.9Å; Y217-F308 HydrophobicContact CD1-CD2 4.47Å; Y217-F308 HydrophobicContact CD1-CG 4.2Å; Y217-F308 HydrophobicContact CD2-CB 4.32Å; Y217-F308 HydrophobicContact CD2-CD2 4.42Å; Y217-F308 HydrophobicContact CE1-CB 3.84Å; Y217-F308 HydrophobicContact CE1-CD1 4.21Å; Y217-F308 AromaticContact CE1-CD2 3.63Å; Y217-F308 HydrophobicContact CE1-CD2 3.63Å; Y217-F308 HydrophobicContact CE1-CE2 4.25Å; Y217-F308 AromaticContact CE1-CG 3.61Å; Y217-F308 HydrophobicContact CE1-CG 3.61Å; Y217-F308 HydrophobicContact CE2-CB 4.26Å; Y217-F308 AromaticContact CE2-CD2 3.57Å; Y217-F308 HydrophobicContact CE2-CD2 3.57Å; Y217-F308 HydrophobicContact CE2-CE2 4.31Å; Y217-F308 HydrophobicContact CE2-CG 4.2Å; Y217-F308 HydrophobicContact CG-CB 4.17Å; Y217-F308 AromaticContact CZ-CD2 3.12Å; Y217-F308 AromaticContact CZ-CE2 3.62Å; Y217-F308 AromaticContact CZ-CG 3.64Å; Y217-F308 WeakPolarHBondContact O-CB 3.31Å; Y217-F308 PolarHBondContact O-N 2.86Å; Y217-F308 VanDerWaalsContact O-N 3.1Å; Y217-F308 WeakPolarHBondContact OH-CD2 3.26Å; Y217-F308 WeakPolarHBondContact OH-CE2 3.43Å; G306-F308 PolarHBondContact O-N 3.45Å |
| 309 | F | 94.7 | Very high | 96.4 | Very high | 26 Ų | 26 | 8.4 Ų | 8.4 | 11% | 0.114 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -108.5 | -22 | -172.6 | -63.2 | -76.2 | 0 | 0 | 0 | 114.6 | I289 D302 K303 G306 A307 G311 E312 L313 | I289-F309 HydrophobicContact CG2-CB 4.5Å; I289-F309 HydrophobicContact CG2-CD1 3.5Å; I289-F309 VanDerWaalsContact CG2-CD1 3.5Å; I289-F309 HydrophobicContact CG2-CE1 4Å; I289-F309 HydrophobicContact CG2-CG 4.28Å; D302-F309 HydrophobicContact CB-CD2 4.48Å; D302-F309 HydrophobicContact CB-CE2 4.14Å; D302-F309 WeakPolarHBondContact O-CD2 3.44Å; K303-F309 VanDerWaalsContact CA-CD2 3.45Å; K303-F309 HydrophobicContact CB-CD2 4.31Å; K303-F309 HydrophobicContact CB-CE2 4.46Å; K303-F309 HydrophobicContact CB-CG 4.4Å; K303-F309 HydrophobicContact CG-CD1 4.12Å; K303-F309 HydrophobicContact CG-CD2 3.94Å; K303-F309 HydrophobicContact CG-CE1 3.87Å; K303-F309 HydrophobicContact CG-CE2 3.65Å; K303-F309 HydrophobicContact CG-CG 4.13Å; K303-F309 HydrophobicContact CG-CZ 3.61Å; K303-F309 WeakPolarHBondContact O-CB 3.19Å; G306-F309 PolarHBondContact O-N 3.37Å; A307-F309 VanDerWaalsContact C-N 3.3Å; F309-G311 PolarHBondContact O-N 2.94Å; F309-E312 PolarHBondContact O-N 3.39Å; F309-L313 PolarHBondContact O-N 2.95Å |
| 310 | L | 97.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -58.9 | -44.6 | -175.8 | -64.8 | -174.2 | 0 | 0 | 0 | 113.2 | G306 L313 V314 T344 V389 L421 | G306-L310 WeakPolarHBondContact O-CG 3.28Å; G306-L310 PolarHBondContact O-N 2.99Å; L310-L313 PolarHBondContact O-N 3.36Å; L310-V314 WeakPolarHBondContact O-CG2 3.49Å; L310-V314 PolarHBondContact O-N 3.25Å; L310-T344 HydrophobicContact CB-CG2 4.11Å; L310-T344 HydrophobicContact CD1-CG2 4.41Å; L310-V389 HydrophobicContact CB-CG1 4.3Å; L310-V389 HydrophobicContact CD2-CG1 3.82Å; L310-L421 HydrophobicContact CD1-CD1 3.61Å; L310-L421 HydrophobicContact CD1-CD2 4.25Å |
| 311 | G | 97.5 | Very high | 96.7 | Very high | 1 Ų | 1 | 10.3 Ų | 10.3 | 1% | 0.01 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -61.6 | -43.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | F309 L313 V314 R315 F342 T344 | F309-G311 PolarHBondContact O-N 2.94Å; G311-L313 PolarHBondContact O-N 3.21Å; G311-V314 WeakPolarHBondContact O-CB 3.48Å; G311-V314 PolarHBondContact O-N 3.39Å; G311-R315 PolarHBondContact O-N 3.13Å; G311-F342 CarbonylContact C-O 3.54Å; G311-F342 WeakPolarHBondContact CA-O 3.33Å; G311-T344 PolarHBondContact N-OG1 2.76Å |
| 312 | E | 97.5 | Very high | 96.7 | Very high | 12 Ų | 12 | 10.6 Ų | 10.6 | 6% | 0.056 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -66.5 | -38 | 177.9 | 178.5 | 58.6 | -174.1 | 0 | 0 | 112 | I289 F309 V314 R315 I316 D340 | I289-E312 HydrophobicContact CG1-CG 4.5Å; F309-E312 PolarHBondContact O-N 3.39Å; E312-V314 VanDerWaalsContact C-N 3.34Å; E312-V314 PolarHBondContact O-N 2.87Å; E312-R315 VanDerWaalsContact CD-NE 3.34Å; E312-R315 WeakPolarHBondContact O-CB 3.37Å; E312-R315 PolarHBondContact O-N 3.36Å; E312-R315 IonicContact OE1-CZ 2.86Å; E312-R315 IonicContact OE1-NE 3.71Å; E312-R315 PolarHBondContact OE1-NE 3.15Å; E312-R315 VanDerWaalsContact OE1-NE 3.16Å; E312-R315 IonicContact OE1-NH2 2.83Å; E312-R315 PolarHBondContact OE1-NH2 3.23Å; E312-R315 WeakPolarHBondContact OE2-CD 3.36Å; E312-R315 IonicContact OE2-CZ 3.95Å; E312-R315 IonicContact OE2-NE 3.02Å; E312-R315 PolarHBondContact OE2-NE 3.05Å; E312-R315 IonicContact OE2-NH2 3.27Å; E312-I316 HydrophobicContact CG-CD1 4.02Å; E312-I316 VanDerWaalsContact O-CG1 3.31Å; E312-I316 WeakPolarHBondContact O-CG1 3.02Å; E312-I316 PolarHBondContact O-N 3.21Å; E312-D340 PolarHBondContact OE2-N 2.99Å |
| 313 | L | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -61.6 | -43.2 | 172.5 | 179.6 | 58.8 | 0 | 0 | 0 | 112.3 | F16 I289 F309 L310 G311 R315 I316 L317 V389 | F16-L313 HydrophobicContact CE1-CD1 3.91Å; F16-L313 HydrophobicContact CE1-CD2 3.95Å; F16-L313 HydrophobicContact CE1-CG 4.26Å; F16-L313 HydrophobicContact CZ-CD1 4.19Å; I289-L313 HydrophobicContact CD1-CB 3.58Å; I289-L313 HydrophobicContact CD1-CD1 3.78Å; I289-L313 HydrophobicContact CD1-CG 4.2Å; F309-L313 PolarHBondContact O-N 2.95Å; L310-L313 PolarHBondContact O-N 3.36Å; G311-L313 PolarHBondContact O-N 3.21Å; L313-R315 VanDerWaalsContact C-N 3.33Å; L313-I316 PolarHBondContact O-N 3.38Å; L313-L317 HydrophobicContact CD1-CD1 4.25Å; L313-L317 HydrophobicContact CD1-CG 4.34Å; L313-L317 HydrophobicContact CG-CD1 4.2Å; L313-L317 VanDerWaalsContact O-CG 3.31Å; L313-L317 WeakPolarHBondContact O-CG 3.37Å; L313-L317 PolarHBondContact O-N 3.29Å; L313-V389 HydrophobicContact CD2-CB 4.47Å; L313-V389 HydrophobicContact CD2-CG1 3.79Å; L313-V389 HydrophobicContact CD2-CG2 3.91Å; L313-V389 HydrophobicContact CG-CG1 4.34Å; L313-V389 HydrophobicContact CG-CG2 3.96Å |
| 314 | V | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -61.2 | -44.1 | 174.6 | 168.4 | 0 | 0 | 0 | 0 | 110.5 | L310 G311 E312 I316 L317 I318 F342 V347 V385 V389 | L310-V314 WeakPolarHBondContact O-CG2 3.49Å; L310-V314 PolarHBondContact O-N 3.25Å; G311-V314 WeakPolarHBondContact O-CB 3.48Å; G311-V314 PolarHBondContact O-N 3.39Å; E312-V314 VanDerWaalsContact C-N 3.34Å; E312-V314 PolarHBondContact O-N 2.87Å; V314-I316 PolarHBondContact O-N 3.04Å; V314-L317 PolarHBondContact O-N 3.12Å; V314-I318 HydrophobicContact CG1-CD1 3.64Å; V314-I318 HydrophobicContact CG1-CG1 4.37Å; V314-I318 VanDerWaalsContact O-CG1 3.29Å; V314-I318 WeakPolarHBondContact O-CG1 3.36Å; V314-I318 PolarHBondContact O-N 3.28Å; V314-F342 HydrophobicContact CB-CD1 4.2Å; V314-F342 HydrophobicContact CB-CE1 4.26Å; V314-F342 HydrophobicContact CG1-CD1 3.78Å; V314-F342 HydrophobicContact CG1-CE1 3.47Å; V314-F342 VanDerWaalsContact CG1-CE1 3.47Å; V314-F342 HydrophobicContact CG1-CG 4.45Å; V314-F342 HydrophobicContact CG1-CZ 3.9Å; V314-V347 HydrophobicContact CB-CG2 4.26Å; V314-V347 HydrophobicContact CG1-CG2 4.47Å; V314-V347 HydrophobicContact CG2-CG2 3.82Å; V314-V385 HydrophobicContact CB-CG1 4.23Å; V314-V385 HydrophobicContact CG1-CG1 3.93Å; V314-V385 HydrophobicContact CG2-CG1 4.13Å; V314-V389 HydrophobicContact CG2-CB 3.93Å; V314-V389 HydrophobicContact CG2-CG1 3.99Å; V314-V389 HydrophobicContact CG2-CG2 3.9Å |
| 315 | R | 98.3 | Very high | 96.8 | Very high | 6 Ų | 6 | 18.6 Ų | 18.6 | 2% | 0.023 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -56.5 | -52.4 | 175.4 | -168.6 | -159.2 | 59.5 | 77.2 | -3.9 | 111.4 | G311 E312 L313 L317 I318 D319 L336 T338 F342 | G311-R315 PolarHBondContact O-N 3.13Å; E312-R315 VanDerWaalsContact CD-NE 3.34Å; E312-R315 WeakPolarHBondContact O-CB 3.37Å; E312-R315 PolarHBondContact O-N 3.36Å; E312-R315 IonicContact OE1-CZ 2.86Å; E312-R315 IonicContact OE1-NE 3.71Å; E312-R315 PolarHBondContact OE1-NE 3.15Å; E312-R315 VanDerWaalsContact OE1-NE 3.16Å; E312-R315 IonicContact OE1-NH2 2.83Å; E312-R315 PolarHBondContact OE1-NH2 3.23Å; E312-R315 WeakPolarHBondContact OE2-CD 3.36Å; E312-R315 IonicContact OE2-CZ 3.95Å; E312-R315 IonicContact OE2-NE 3.02Å; E312-R315 PolarHBondContact OE2-NE 3.05Å; E312-R315 IonicContact OE2-NH2 3.27Å; L313-R315 VanDerWaalsContact C-N 3.33Å; R315-L317 VanDerWaalsContact C-N 3.3Å; R315-L317 PolarHBondContact O-N 3.31Å; R315-I318 PolarHBondContact O-N 3.21Å; R315-D319 IonicContact NH1-OD2 3.76Å; R315-D319 VanDerWaalsContact O-CB 3.24Å; R315-D319 WeakPolarHBondContact O-CB 3.33Å; R315-D319 PolarHBondContact O-N 3.05Å; R315-L336 HydrophobicContact CG-CD2 4.47Å; R315-L336 PolarHBondContact NH1-O 3.06Å; R315-T338 WeakPolarHBondContact CD-O 3.47Å; R315-T338 PolarHBondContact NE-O 2.98Å; R315-F342 HydrophobicContact CB-CB 3.73Å; R315-F342 HydrophobicContact CG-CB 4.15Å |
| 316 | I | 98.4 | Very high | 96.7 | Very high | 5 Ų | 5 | 21.2 Ų | 21.2 | 3% | 0.026 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -58.5 | -42.7 | -178.3 | -71.1 | 167.2 | 0 | 0 | 0 | 110.9 | Y285 E288 I289 E312 L313 V314 D319 Q320 | Y285-I316 HydrophobicContact CD1-CG2 3.55Å; Y285-I316 HydrophobicContact CE1-CG2 4.45Å; Y285-I316 HydrophobicContact CG-CG2 4.24Å; E288-I316 HydrophobicContact CG-CD1 4.37Å; I289-I316 HydrophobicContact CD1-CD1 4.18Å; I289-I316 HydrophobicContact CG1-CD1 3.53Å; E312-I316 HydrophobicContact CG-CD1 4.02Å; E312-I316 VanDerWaalsContact O-CG1 3.31Å; E312-I316 WeakPolarHBondContact O-CG1 3.02Å; E312-I316 PolarHBondContact O-N 3.21Å; L313-I316 PolarHBondContact O-N 3.38Å; V314-I316 PolarHBondContact O-N 3.04Å; I316-D319 PolarHBondContact O-N 2.95Å; I316-Q320 PolarHBondContact O-N 2.96Å |
| 317 | L | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66.6 | -44.2 | 178.3 | -71.7 | 171.7 | 0 | 0 | 0 | 112.3 | V12 L13 F16 Y285 L313 V314 R315 D319 Q320 F321 V385 V389 | V12-L317 HydrophobicContact CG1-CD2 3.86Å; L13-L317 HydrophobicContact CD2-CD1 4.13Å; F16-L317 HydrophobicContact CE1-CD1 4.12Å; F16-L317 HydrophobicContact CE2-CD1 4.39Å; F16-L317 HydrophobicContact CE2-CD2 3.93Å; F16-L317 HydrophobicContact CZ-CD1 3.96Å; F16-L317 HydrophobicContact CZ-CD2 3.82Å; F16-L317 HydrophobicContact CZ-CG 4.35Å; Y285-L317 HydrophobicContact CD1-CD2 4.17Å; Y285-L317 HydrophobicContact CD2-CD2 3.61Å; Y285-L317 HydrophobicContact CE1-CD2 4.24Å; Y285-L317 HydrophobicContact CE2-CD2 3.7Å; Y285-L317 HydrophobicContact CG-CD2 3.83Å; L313-L317 HydrophobicContact CD1-CD1 4.25Å; L313-L317 HydrophobicContact CD1-CG 4.34Å; L313-L317 HydrophobicContact CG-CD1 4.2Å; L313-L317 VanDerWaalsContact O-CG 3.31Å; L313-L317 WeakPolarHBondContact O-CG 3.37Å; L313-L317 PolarHBondContact O-N 3.29Å; V314-L317 PolarHBondContact O-N 3.12Å; R315-L317 VanDerWaalsContact C-N 3.3Å; R315-L317 PolarHBondContact O-N 3.31Å; L317-D319 VanDerWaalsContact C-N 3.32Å; L317-D319 PolarHBondContact O-N 3.23Å; L317-Q320 PolarHBondContact O-N 3.38Å; L317-F321 WeakPolarHBondContact O-CD2 3.17Å; L317-F321 WeakPolarHBondContact O-CG 3.43Å; L317-F321 PolarHBondContact O-N 3.34Å; L317-V385 HydrophobicContact CB-CG1 3.79Å; L317-V385 HydrophobicContact CD1-CG1 3.91Å; L317-V389 HydrophobicContact CD1-CG2 3.59Å |
| 318 | I | 98.3 | Very high | 97 | Very high | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.9 | -43.9 | 175.4 | -68.6 | 168.5 | 0 | 0 | 0 | 110.3 | V314 R315 Q320 F321 C322 M327 F328 L336 F342 I382 V385 | V314-I318 HydrophobicContact CG1-CD1 3.64Å; V314-I318 HydrophobicContact CG1-CG1 4.37Å; V314-I318 VanDerWaalsContact O-CG1 3.29Å; V314-I318 WeakPolarHBondContact O-CG1 3.36Å; V314-I318 PolarHBondContact O-N 3.28Å; R315-I318 PolarHBondContact O-N 3.21Å; I318-Q320 VanDerWaalsContact C-N 3.33Å; I318-Q320 PolarHBondContact O-N 3.23Å; I318-F321 PolarHBondContact O-N 3.17Å; I318-F321 VanDerWaalsContact O-N 3.08Å; I318-C322 PolarHBondContact O-N 2.89Å; I318-C322 PolarHBondContact O-SG 3.49Å; I318-M327 HydrophobicContact CG2-CE 4.01Å; I318-M327 HydrophobicContact CG2-SD 3.98Å; I318-F328 HydrophobicContact CG2-CE2 3.92Å; I318-F328 HydrophobicContact CG2-CZ 4.36Å; I318-L336 HydrophobicContact CB-CD2 4.33Å; I318-L336 HydrophobicContact CG2-CD1 3.71Å; I318-L336 HydrophobicContact CG2-CD2 3.72Å; I318-L336 HydrophobicContact CG2-CG 4.28Å; I318-F342 HydrophobicContact CD1-CD2 4.45Å; I318-F342 HydrophobicContact CD1-CE2 4Å; I318-F342 HydrophobicContact CD1-CZ 4.27Å; I318-I382 HydrophobicContact CD1-CG1 4.11Å; I318-I382 HydrophobicContact CD1-CG2 4.44Å; I318-I382 HydrophobicContact CG1-CG1 4.48Å; I318-V385 HydrophobicContact CG1-CG1 4.39Å |
| 319 | D | 97.8 | Very high | 97.1 | Very high | 13 Ų | 13 | 20.8 Ų | 20.8 | 7% | 0.07 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.2 | -41.1 | 178.8 | -172.3 | 38.6 | 0 | 0 | 0 | 111.9 | R315 I316 L317 F321 C322 V323 R332 L336 | R315-D319 IonicContact NH1-OD2 3.76Å; R315-D319 VanDerWaalsContact O-CB 3.24Å; R315-D319 WeakPolarHBondContact O-CB 3.33Å; R315-D319 PolarHBondContact O-N 3.05Å; I316-D319 PolarHBondContact O-N 2.95Å; L317-D319 VanDerWaalsContact C-N 3.32Å; L317-D319 PolarHBondContact O-N 3.23Å; D319-F321 VanDerWaalsContact C-N 3.29Å; D319-F321 PolarHBondContact O-N 3.27Å; D319-C322 VanDerWaalsContact O-CB 3.29Å; D319-C322 WeakPolarHBondContact O-CB 3.49Å; D319-C322 PolarHBondContact O-N 3.3Å; D319-C322 VanDerWaalsContact O-N 3.09Å; D319-V323 WeakPolarHBondContact O-CG2 3.3Å; D319-V323 PolarHBondContact O-N 2.81Å; D319-R332 WeakPolarHBondContact OD1-CG 3.13Å; D319-R332 IonicContact OD1-CZ 3.77Å; D319-R332 IonicContact OD1-NE 2.84Å; D319-R332 PolarHBondContact OD1-NE 2.73Å; D319-R332 IonicContact OD1-NH2 3.54Å; D319-R332 PolarHBondContact OD1-NH2 2.68Å; D319-R332 IonicContact OD2-CZ 2.79Å; D319-R332 IonicContact OD2-NE 3.07Å; D319-R332 IonicContact OD2-NH2 3.82Å; D319-R332 PolarHBondContact OD2-NH2 3.39Å; D319-L336 WeakPolarHBondContact CB-O 2.99Å |
| 320 | Q | 97.9 | Very high | 96.9 | Very high | 54 Ų | 54 | 21.7 Ų | 21.7 | 25% | 0.252 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -58.8 | -40.5 | 172.4 | -178.1 | 65.1 | 62 | 0 | 0 | 112 | Y285 I316 L317 I318 C322 V323 D324 | Y285-Q320 HydrophobicContact CE1-CB 4.06Å; Y285-Q320 HydrophobicContact CE1-CG 4.04Å; I316-Q320 PolarHBondContact O-N 2.96Å; L317-Q320 PolarHBondContact O-N 3.38Å; I318-Q320 VanDerWaalsContact C-N 3.33Å; I318-Q320 PolarHBondContact O-N 3.23Å; Q320-C322 VanDerWaalsContact C-N 3.29Å; Q320-C322 PolarHBondContact O-N 2.94Å; Q320-V323 WeakPolarHBondContact O-CB 3.15Å; Q320-V323 PolarHBondContact O-N 3.16Å; Q320-D324 PolarHBondContact NE2-OD1 3.26Å; Q320-D324 VanDerWaalsContact O-CG 3.31Å; Q320-D324 PolarHBondContact O-N 2.68Å |
| 321 | F | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -71 | -24.9 | 176.8 | -61.7 | -40.7 | 0 | 0 | 0 | 113.5 | V9 V12 L13 L317 I318 D319 G325 L326 M327 I381 V385 | V9-F321 HydrophobicContact CB-CE1 4.21Å; V9-F321 HydrophobicContact CB-CZ 4.12Å; V9-F321 HydrophobicContact CG1-CE1 4.45Å; V9-F321 HydrophobicContact CG1-CE2 4.05Å; V9-F321 HydrophobicContact CG1-CZ 3.86Å; V9-F321 HydrophobicContact CG2-CD1 4.02Å; V9-F321 HydrophobicContact CG2-CD2 4.45Å; V9-F321 HydrophobicContact CG2-CE1 3.92Å; V9-F321 HydrophobicContact CG2-CE2 4.35Å; V9-F321 HydrophobicContact CG2-CG 4.3Å; V9-F321 HydrophobicContact CG2-CZ 4.1Å; V12-F321 HydrophobicContact CB-CE1 3.6Å; V12-F321 HydrophobicContact CB-CZ 3.78Å; V12-F321 HydrophobicContact CG1-CE1 3.71Å; V12-F321 HydrophobicContact CG1-CZ 3.61Å; V12-F321 HydrophobicContact CG2-CE1 3.83Å; L13-F321 HydrophobicContact CD2-CZ 4.45Å; L13-F321 HydrophobicContact CG-CZ 4.25Å; L317-F321 WeakPolarHBondContact O-CD2 3.17Å; L317-F321 WeakPolarHBondContact O-CG 3.43Å; L317-F321 PolarHBondContact O-N 3.34Å; I318-F321 PolarHBondContact O-N 3.17Å; I318-F321 VanDerWaalsContact O-N 3.08Å; D319-F321 VanDerWaalsContact C-N 3.29Å; D319-F321 PolarHBondContact O-N 3.27Å; F321-G325 PolarHBondContact O-N 3.45Å; F321-L326 HydrophobicContact CB-CB 4.47Å; F321-L326 HydrophobicContact CD1-CD1 4.15Å; F321-L326 PolarHBondContact O-N 2.65Å; F321-M327 HydrophobicContact CB-CG 3.91Å; F321-M327 HydrophobicContact CB-SD 3.67Å; F321-M327 HydrophobicContact CD2-SD 4.27Å; F321-M327 HydrophobicContact CG-SD 4.46Å; F321-I381 HydrophobicContact CD2-CG2 3.63Å; F321-I381 HydrophobicContact CE2-CG2 4.02Å; F321-I381 HydrophobicContact CG-CG2 4.43Å; F321-V385 HydrophobicContact CD2-CG2 4.19Å; F321-V385 HydrophobicContact CE2-CG2 3.6Å |
| 322 | C | 97 | Very high | 96.6 | Very high | 5 Ų | 5 | 30.9 Ų | 30.9 | 3% | 0.034 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68 | -44.5 | 168.1 | -57.1 | 0 | 0 | 0 | 0 | 110.9 | I318 D319 Q320 D324 G325 F328 R332 | I318-C322 PolarHBondContact O-N 2.89Å; I318-C322 PolarHBondContact O-SG 3.49Å; D319-C322 VanDerWaalsContact O-CB 3.29Å; D319-C322 WeakPolarHBondContact O-CB 3.49Å; D319-C322 PolarHBondContact O-N 3.3Å; D319-C322 VanDerWaalsContact O-N 3.09Å; Q320-C322 VanDerWaalsContact C-N 3.29Å; Q320-C322 PolarHBondContact O-N 2.94Å; C322-D324 VanDerWaalsContact C-N 3.28Å; C322-D324 PolarHBondContact O-N 2.83Å; C322-G325 PolarHBondContact O-N 2.72Å; C322-F328 WeakPolarHBondContact SG-CD2 3.17Å; C322-R332 HydrophobicContact CB-CB 4.18Å; C322-R332 HydrophobicContact CB-CG 3.97Å |
| 323 | V | 96.7 | Very high | 96.5 | Very high | 85 Ų | 85 | 31 Ų | 31 | 52% | 0.515 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -60.3 | -39.3 | 175.2 | 171.9 | 0 | 0 | 0 | 0 | 111.4 | D319 Q320 G325 | D319-V323 WeakPolarHBondContact O-CG2 3.3Å; D319-V323 PolarHBondContact O-N 2.81Å; Q320-V323 WeakPolarHBondContact O-CB 3.15Å; Q320-V323 PolarHBondContact O-N 3.16Å; V323-G325 PolarHBondContact O-N 3.03Å |
| 324 | D | 97.1 | Very high | 96.4 | Very high | 52 Ų | 52 | 37.7 Ų | 37.7 | 28% | 0.278 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -1.6 | 177.1 | -66.8 | -1.4 | 0 | 0 | 0 | 112.9 | R8 Q320 C322 L326 | R8-D324 WeakPolarHBondContact CG-OD2 3.49Å; R8-D324 IonicContact CZ-OD2 3.62Å; R8-D324 IonicContact NE-OD2 3.68Å; R8-D324 PolarHBondContact NE-OD2 3Å; R8-D324 IonicContact NH2-OD2 3.34Å; Q320-D324 PolarHBondContact NE2-OD1 3.26Å; Q320-D324 VanDerWaalsContact O-CG 3.31Å; Q320-D324 PolarHBondContact O-N 2.68Å; C322-D324 VanDerWaalsContact C-N 3.28Å; C322-D324 PolarHBondContact O-N 2.83Å; D324-L326 VanDerWaalsContact C-N 3.32Å; D324-L326 HydrophobicContact CB-CD1 4.01Å; D324-L326 HydrophobicContact CB-CG 4.04Å; D324-L326 PolarHBondContact O-N 3.41Å |
| 325 | G | 95.9 | Very high | 96.2 | Very high | 45 Ų | 45 | 40.4 Ų | 40.4 | 46% | 0.464 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.5 | 18.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | F321 C322 V323 | F321-G325 PolarHBondContact O-N 3.45Å; C322-G325 PolarHBondContact O-N 2.72Å; V323-G325 PolarHBondContact O-N 3.03Å |
| 326 | L | 96.3 | Very high | 96.1 | Very high | 56 Ų | 56 | 40.2 Ų | 40.2 | 29% | 0.293 | 24% | 0.242 | S | C | . | . | trans | -92.9 | -16.4 | -173.3 | -60.3 | 174.9 | 0 | 0 | 0 | 113.7 | P6 R8 V9 F321 D324 | P6-L326 HydrophobicContact CB-CD2 4.46Å; R8-L326 HydrophobicContact CB-CD1 3.77Å; R8-L326 HydrophobicContact CG-CD1 3.75Å; V9-L326 HydrophobicContact CG2-CD1 3.98Å; F321-L326 HydrophobicContact CB-CB 4.47Å; F321-L326 HydrophobicContact CD1-CD1 4.15Å; F321-L326 PolarHBondContact O-N 2.65Å; D324-L326 VanDerWaalsContact C-N 3.32Å; D324-L326 HydrophobicContact CB-CD1 4.01Å; D324-L326 HydrophobicContact CB-CG 4.04Å; D324-L326 PolarHBondContact O-N 3.41Å | ||
| 327 | M | 96.8 | Very high | 95.9 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -125.4 | 157.1 | -174.5 | -67.4 | -173 | 73.2 | 0 | 0 | 112.7 | I318 F321 G329 G330 D378 I381 I382 | I318-M327 HydrophobicContact CG2-CE 4.01Å; I318-M327 HydrophobicContact CG2-SD 3.98Å; F321-M327 HydrophobicContact CB-CG 3.91Å; F321-M327 HydrophobicContact CB-SD 3.67Å; F321-M327 HydrophobicContact CD2-SD 4.27Å; F321-M327 HydrophobicContact CG-SD 4.46Å; M327-G329 PolarHBondContact O-N 3.39Å; M327-G329 VanDerWaalsContact O-N 3.12Å; M327-G330 PolarHBondContact O-N 3.41Å; M327-D378 WeakPolarHBondContact CA-OD1 3.4Å; M327-D378 WeakPolarHBondContact CB-OD1 3.34Å; M327-D378 HydrophobicContact CE-CB 4Å; M327-I381 HydrophobicContact CE-CB 4.38Å; M327-I381 HydrophobicContact CE-CG2 4.27Å; M327-I381 HydrophobicContact CG-CD1 3.94Å; M327-I381 HydrophobicContact CG-CG2 4.38Å; M327-I381 HydrophobicContact SD-CB 4.25Å; M327-I381 HydrophobicContact SD-CG2 3.63Å; M327-I382 HydrophobicContact CE-CD1 3.9Å; M327-I382 HydrophobicContact CE-CG1 3.53Å |
| 328 | F | 96.2 | Very high | 95.8 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 0% | 0.004 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | 51.3 | 39.4 | 170.5 | -48.8 | -60.8 | 0 | 0 | 0 | 114.1 | I318 C322 G330 T331 P333 L336 M366 I371 I373 H374 D378 I382 | I318-F328 HydrophobicContact CG2-CE2 3.92Å; I318-F328 HydrophobicContact CG2-CZ 4.36Å; C322-F328 WeakPolarHBondContact SG-CD2 3.17Å; F328-G330 VanDerWaalsContact C-N 3.26Å; F328-G330 PolarHBondContact O-N 2.72Å; F328-T331 WeakPolarHBondContact O-CB 3.24Å; F328-T331 PolarHBondContact O-N 2.87Å; F328-T331 PolarHBondContact O-OG1 3.06Å; F328-P333 HydrophobicContact CB-CG 4.38Å; F328-P333 HydrophobicContact CD2-CG 4.06Å; F328-P333 HydrophobicContact CG-CG 4.24Å; F328-L336 HydrophobicContact CD2-CD1 3.87Å; F328-L336 HydrophobicContact CE2-CD1 3.16Å; F328-L336 HydrophobicContact CZ-CD1 3.75Å; F328-M366 HydrophobicContact CE1-SD 3.82Å; F328-M366 HydrophobicContact CZ-SD 3.9Å; F328-I371 HydrophobicContact CD1-CG2 3.7Å; F328-I371 HydrophobicContact CE1-CG2 3.9Å; F328-I371 HydrophobicContact CG-CG2 4.15Å; F328-I371 HydrophobicContact CZ-CD1 4.41Å; F328-I373 WeakPolarHBondContact CA-O 3.44Å; F328-I373 WeakPolarHBondContact CB-O 3.39Å; F328-I373 VanDerWaalsContact CD1-O 3.25Å; F328-I373 WeakPolarHBondContact CD1-O 3.49Å; F328-H374 HydrophobicContact CD1-CB 3.81Å; F328-H374 HydrophobicContact CE1-CB 3.93Å; F328-D378 HydrophobicContact CD1-CB 4.27Å; F328-D378 HydrophobicContact CE1-CB 3.99Å; F328-D378 PolarHBondContact N-OD1 2.99Å; F328-I382 HydrophobicContact CE1-CD1 4.38Å; F328-I382 HydrophobicContact CZ-CD1 4.07Å |
| 329 | G | 91.4 | Very high | 95.6 | Very high | 73 Ų | 73 | 48.5 Ų | 48.5 | 75% | 0.753 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | 65.3 | 24.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | M327 T331 | M327-G329 PolarHBondContact O-N 3.39Å; M327-G329 VanDerWaalsContact O-N 3.12Å; G329-T331 VanDerWaalsContact C-N 3.33Å |
| 330 | G | 91.2 | Very high | 95.4 | Very high | 46 Ų | 46 | 52.7 Ų | 52.7 | 47% | 0.474 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | 80.8 | 13 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | M327 F328 | M327-G330 PolarHBondContact O-N 3.41Å; F328-G330 VanDerWaalsContact C-N 3.26Å; F328-G330 PolarHBondContact O-N 2.72Å |
| 331 | T | 93.6 | Very high | 95.3 | Very high | 61 Ų | 61 | 51.6 Ų | 51.6 | 37% | 0.374 | 32% | 0.317 | S | S | . | . | trans | -91.3 | 159.1 | 173.4 | 68.9 | 0 | 0 | 0 | 0 | 110.9 | F328 G329 P333 | F328-T331 WeakPolarHBondContact O-CB 3.24Å; F328-T331 PolarHBondContact O-N 2.87Å; F328-T331 PolarHBondContact O-OG1 3.06Å; G329-T331 VanDerWaalsContact C-N 3.33Å; T331-P333 WeakPolarHBondContact O-CD 3.17Å | ||
| 332 | R | 94.6 | Very high | 95.3 | Very high | 132 Ų | 132 | 51.7 Ų | 51.7 | 50% | 0.498 | 32% | 0.317 | S | S | . | . | trans | -119.8 | 88.1 | 174.6 | -167.4 | -176.3 | 179.3 | -152.1 | -5 | 108.8 | D319 C322 T337 | D319-R332 WeakPolarHBondContact OD1-CG 3.13Å; D319-R332 IonicContact OD1-CZ 3.77Å; D319-R332 IonicContact OD1-NE 2.84Å; D319-R332 PolarHBondContact OD1-NE 2.73Å; D319-R332 IonicContact OD1-NH2 3.54Å; D319-R332 PolarHBondContact OD1-NH2 2.68Å; D319-R332 IonicContact OD2-CZ 2.79Å; D319-R332 IonicContact OD2-NE 3.07Å; D319-R332 IonicContact OD2-NH2 3.82Å; D319-R332 PolarHBondContact OD2-NH2 3.39Å; C322-R332 HydrophobicContact CB-CB 4.18Å; C322-R332 HydrophobicContact CB-CG 3.97Å; R332-T337 HydrophobicContact CG-CG2 3.57Å; R332-T337 VanDerWaalsContact NE-CG2 3.31Å | ||
| 333 | P | 95.6 | Very high | 95.3 | Very high | 16 Ų | 16 | 54.2 Ų | 54.2 | 10% | 0.104 | 33% | 0.334 | C | S | . | . | trans | -56.9 | 138.8 | -178 | -24.8 | 33.6 | 0 | 0 | 0 | 112.4 | F328 T331 Q335 L336 T337 I371 | F328-P333 HydrophobicContact CB-CG 4.38Å; F328-P333 HydrophobicContact CD2-CG 4.06Å; F328-P333 HydrophobicContact CG-CG 4.24Å; T331-P333 WeakPolarHBondContact O-CD 3.17Å; P333-Q335 PolarHBondContact O-N 3.16Å; P333-L336 HydrophobicContact CB-CD1 4.3Å; P333-L336 HydrophobicContact CG-CD1 4.06Å; P333-L336 PolarHBondContact O-N 2.84Å; P333-T337 PolarHBondContact O-N 2.75Å; P333-I371 HydrophobicContact CB-CD1 4.37Å; P333-I371 HydrophobicContact CB-CG1 3.9Å; P333-I371 HydrophobicContact CB-CG2 4.42Å; P333-I371 HydrophobicContact CG-CD1 4.46Å; P333-I371 HydrophobicContact CG-CG1 4.16Å; P333-I371 HydrophobicContact CG-CG2 3.81Å | ||
| 334 | E | 95.6 | Very high | 95.2 | Very high | 139 Ų | 139 | 51 Ų | 51 | 65% | 0.65 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -54.8 | -38.9 | -176.2 | -177.2 | -178.4 | -178.1 | 0 | 0 | 112.7 | L336 T337 T338 | E334-L336 PolarHBondContact O-N 3.02Å; E334-T337 CarbonylContact O-C 3.57Å; E334-T337 WeakPolarHBondContact O-CA 3.15Å; E334-T337 PolarHBondContact O-N 3.47Å; E334-T337 PolarHBondContact O-OG1 2.93Å; E334-T338 PolarHBondContact O-N 3.37Å; E334-T338 PolarHBondContact O-OG1 3.3Å |
| 335 | Q | 94.5 | Very high | 95.2 | Very high | 58 Ų | 58 | 54.9 Ų | 54.9 | 27% | 0.271 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.8 | -32 | 179.2 | -65.7 | 75.6 | 14.9 | 0 | 0 | 111.8 | P333 T337 A341 M369 | P333-Q335 PolarHBondContact O-N 3.16Å; Q335-T337 VanDerWaalsContact C-N 3.29Å; Q335-A341 WeakPolarHBondContact O-CB 3.44Å; Q335-M369 HydrophobicContact CB-CE 3.74Å; Q335-M369 VanDerWaalsContact CG-O 3.24Å; Q335-M369 WeakPolarHBondContact CG-O 3.3Å |
| 336 | L | 96 | Very high | 95.3 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -81.9 | -10.5 | 176.2 | -67.4 | 168.2 | 0 | 0 | 0 | 112.6 | R315 I318 D319 F328 P333 E334 F342 M369 I371 | R315-L336 HydrophobicContact CG-CD2 4.47Å; R315-L336 PolarHBondContact NH1-O 3.06Å; I318-L336 HydrophobicContact CB-CD2 4.33Å; I318-L336 HydrophobicContact CG2-CD1 3.71Å; I318-L336 HydrophobicContact CG2-CD2 3.72Å; I318-L336 HydrophobicContact CG2-CG 4.28Å; D319-L336 WeakPolarHBondContact CB-O 2.99Å; F328-L336 HydrophobicContact CD2-CD1 3.87Å; F328-L336 HydrophobicContact CE2-CD1 3.16Å; F328-L336 HydrophobicContact CZ-CD1 3.75Å; P333-L336 HydrophobicContact CB-CD1 4.3Å; P333-L336 HydrophobicContact CG-CD1 4.06Å; P333-L336 PolarHBondContact O-N 2.84Å; E334-L336 PolarHBondContact O-N 3.02Å; L336-F342 HydrophobicContact CD2-CD2 4.45Å; L336-M369 HydrophobicContact CD2-CE 4.09Å; L336-I371 HydrophobicContact CD1-CD1 3.81Å; L336-I371 HydrophobicContact CG-CD1 4.07Å |
| 337 | T | 95.1 | Very high | 95.4 | Very high | 49 Ų | 49 | 50.8 Ų | 50.8 | 30% | 0.301 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -97.1 | -10 | 171.9 | 69.3 | 0 | 0 | 0 | 0 | 113.8 | R332 P333 E334 Q335 | R332-T337 HydrophobicContact CG-CG2 3.57Å; R332-T337 VanDerWaalsContact NE-CG2 3.31Å; P333-T337 PolarHBondContact O-N 2.75Å; E334-T337 CarbonylContact O-C 3.57Å; E334-T337 WeakPolarHBondContact O-CA 3.15Å; E334-T337 PolarHBondContact O-N 3.47Å; E334-T337 PolarHBondContact O-OG1 2.93Å; Q335-T337 VanDerWaalsContact C-N 3.29Å |
| 338 | T | 96.5 | Very high | 95.5 | Very high | 60 Ų | 60 | 51.3 Ų | 51.3 | 37% | 0.368 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -90.7 | 119.6 | -176.8 | -59.2 | 0 | 0 | 0 | 0 | 109.8 | R315 E334 A341 | R315-T338 WeakPolarHBondContact CD-O 3.47Å; R315-T338 PolarHBondContact NE-O 2.98Å; E334-T338 PolarHBondContact O-N 3.37Å; E334-T338 PolarHBondContact O-OG1 3.3Å; T338-A341 HydrophobicContact CG2-CB 4.21Å; T338-A341 WeakPolarHBondContact O-CB 3.48Å; T338-A341 PolarHBondContact O-N 3.42Å |
| 339 | P | 94.4 | Very high | 95.5 | Very high | 71 Ų | 71 | 53.1 Ų | 53.1 | 46% | 0.461 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | 142.5 | 177.5 | -27.1 | 35.3 | 0 | 0 | 0 | 112.8 | A341 | P339-A341 PolarHBondContact O-N 3Š|
| 340 | D | 92.8 | Very high | 95.8 | Very high | 102 Ų | 102 | 49.6 Ų | 49.6 | 55% | 0.545 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 6.1 | 179.1 | -57.1 | -43.6 | 0 | 0 | 0 | 115.7 | E312 F342 | E312-D340 PolarHBondContact OE2-N 2.99Å; D340-F342 PolarHBondContact O-N 3.49Å |
| 341 | A | 96.6 | Very high | 96.1 | Very high | 31 Ų | 31 | 48.3 Ų | 48.3 | 26% | 0.256 | 25% | 0.254 | S | S | . | . | trans | -73.3 | -6.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q335 T338 P339 P343 | Q335-A341 WeakPolarHBondContact O-CB 3.44Å; T338-A341 HydrophobicContact CG2-CB 4.21Å; T338-A341 WeakPolarHBondContact O-CB 3.48Å; T338-A341 PolarHBondContact O-N 3.42Å; P339-A341 PolarHBondContact O-N 3Å; A341-P343 VanDerWaalsContact C-CD 3.47Å; A341-P343 VanDerWaalsContact O-CD 3.31Å; A341-P343 WeakPolarHBondContact O-CD 3.42Å | ||
| 342 | F | 97.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 0% | 0.004 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -115.2 | 83.8 | 172.9 | -157.9 | -80.1 | 0 | 0 | 0 | 110.1 | G311 V314 R315 I318 L336 D340 F346 V347 I350 M366 M369 | G311-F342 CarbonylContact C-O 3.54Å; G311-F342 WeakPolarHBondContact CA-O 3.33Å; V314-F342 HydrophobicContact CB-CD1 4.2Å; V314-F342 HydrophobicContact CB-CE1 4.26Å; V314-F342 HydrophobicContact CG1-CD1 3.78Å; V314-F342 HydrophobicContact CG1-CE1 3.47Å; V314-F342 VanDerWaalsContact CG1-CE1 3.47Å; V314-F342 HydrophobicContact CG1-CG 4.45Å; V314-F342 HydrophobicContact CG1-CZ 3.9Å; R315-F342 HydrophobicContact CB-CB 3.73Å; R315-F342 HydrophobicContact CG-CB 4.15Å; I318-F342 HydrophobicContact CD1-CD2 4.45Å; I318-F342 HydrophobicContact CD1-CE2 4Å; I318-F342 HydrophobicContact CD1-CZ 4.27Å; L336-F342 HydrophobicContact CD2-CD2 4.45Å; D340-F342 PolarHBondContact O-N 3.49Å; F342-F346 HydrophobicContact CD1-CB 4.02Å; F342-F346 HydrophobicContact CD1-CD2 4.28Å; F342-F346 HydrophobicContact CD2-CD2 4.05Å; F342-F346 HydrophobicContact CE1-CB 3.55Å; F342-F346 HydrophobicContact CE1-CD2 4.39Å; F342-F346 HydrophobicContact CE2-CB 4.44Å; F342-F346 HydrophobicContact CE2-CD2 4.18Å; F342-F346 HydrophobicContact CG-CD2 4.11Å; F342-F346 HydrophobicContact CZ-CB 3.8Å; F342-F346 HydrophobicContact CZ-CD2 4.36Å; F342-V347 HydrophobicContact CD1-CG2 4.32Å; F342-V347 HydrophobicContact CE1-CG2 3.9Å; F342-I350 HydrophobicContact CE1-CD1 4.29Å; F342-I350 HydrophobicContact CZ-CD1 3.57Å; F342-M366 HydrophobicContact CE2-CE 4.38Å; F342-M369 HydrophobicContact CD2-CE 4.12Å; F342-M369 HydrophobicContact CD2-SD 3.95Å; F342-M369 HydrophobicContact CE2-SD 4.24Å |
| 343 | P | 96.2 | Very high | 95.9 | Very high | 59 Ų | 59 | 42.6 Ų | 42.6 | 38% | 0.383 | 24% | 0.236 | S | C | . | . | trans | -62.8 | 147.8 | 180 | 12.9 | -22.6 | 0 | 0 | 0 | 112.7 | A341 K345 F346 | A341-P343 VanDerWaalsContact C-CD 3.47Å; A341-P343 VanDerWaalsContact O-CD 3.31Å; A341-P343 WeakPolarHBondContact O-CD 3.42Å; P343-K345 PolarHBondContact O-N 3.36Å; P343-F346 HydrophobicContact CG-CD1 4.42Å; P343-F346 HydrophobicContact CG-CD2 4.12Å; P343-F346 HydrophobicContact CG-CE1 4.34Å; P343-F346 HydrophobicContact CG-CE2 4.03Å; P343-F346 HydrophobicContact CG-CG 4.31Å; P343-F346 HydrophobicContact CG-CZ 4.14Å; P343-F346 WeakPolarHBondContact O-CB 3.15Å; P343-F346 PolarHBondContact O-N 3.23Å | ||
| 344 | T | 96.5 | Very high | 95.4 | Very high | 17 Ų | 17 | 46.4 Ų | 46.4 | 10% | 0.104 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -55.8 | -22.2 | 176.1 | -59.2 | 0 | 0 | 0 | 0 | 113.7 | A307 L310 G311 F346 V347 S348 L421 | A307-T344 HydrophobicContact CB-CG2 3.99Å; A307-T344 WeakPolarHBondContact O-CB 3.47Å; A307-T344 PolarHBondContact O-OG1 3.28Å; L310-T344 HydrophobicContact CB-CG2 4.11Å; L310-T344 HydrophobicContact CD1-CG2 4.41Å; G311-T344 PolarHBondContact N-OG1 2.76Å; T344-F346 VanDerWaalsContact C-N 3.28Å; T344-F346 PolarHBondContact O-N 3.37Å; T344-V347 WeakPolarHBondContact O-CB 3.3Å; T344-V347 PolarHBondContact O-N 2.85Å; T344-V347 VanDerWaalsContact O-N 3.15Å; T344-S348 PolarHBondContact O-N 3.29Å; T344-S348 VanDerWaalsContact O-N 3.15Å; T344-S348 PolarHBondContact O-OG 3.15Å; T344-L421 HydrophobicContact CG2-CD2 3.94Å |
| 345 | K | 96.7 | Very high | 94.8 | Very high | 133 Ų | 133 | 48.5 Ų | 48.5 | 58% | 0.578 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -55.3 | -42.4 | 169 | 178.5 | 178.4 | 165.1 | -176 | 0 | 112 | P343 V347 S348 E349 | P343-K345 PolarHBondContact O-N 3.36Å; K345-V347 VanDerWaalsContact C-N 3.33Å; K345-V347 PolarHBondContact O-N 2.87Å; K345-S348 PolarHBondContact O-N 3.32Å; K345-E349 WeakPolarHBondContact CE-OE1 3.26Å; K345-E349 HydrophobicContact CG-CG 4.45Å; K345-E349 IonicContact NZ-OE1 2.81Å; K345-E349 WeakPolarHBondContact O-CG 3.48Å; K345-E349 PolarHBondContact O-N 3.42Å |
| 346 | F | 98 | Very high | 94.4 | Very high | 15 Ų | 15 | 54.4 Ų | 54.4 | 7% | 0.066 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.7 | -41.3 | 176.2 | -67.7 | -13.3 | 0 | 0 | 0 | 111.4 | F342 P343 T344 S348 E349 I350 I365 M369 | F342-F346 HydrophobicContact CD1-CB 4.02Å; F342-F346 HydrophobicContact CD1-CD2 4.28Å; F342-F346 HydrophobicContact CD2-CD2 4.05Å; F342-F346 HydrophobicContact CE1-CB 3.55Å; F342-F346 HydrophobicContact CE1-CD2 4.39Å; F342-F346 HydrophobicContact CE2-CB 4.44Å; F342-F346 HydrophobicContact CE2-CD2 4.18Å; F342-F346 HydrophobicContact CG-CD2 4.11Å; F342-F346 HydrophobicContact CZ-CB 3.8Å; F342-F346 HydrophobicContact CZ-CD2 4.36Å; P343-F346 HydrophobicContact CG-CD1 4.42Å; P343-F346 HydrophobicContact CG-CD2 4.12Å; P343-F346 HydrophobicContact CG-CE1 4.34Å; P343-F346 HydrophobicContact CG-CE2 4.03Å; P343-F346 HydrophobicContact CG-CG 4.31Å; P343-F346 HydrophobicContact CG-CZ 4.14Å; P343-F346 WeakPolarHBondContact O-CB 3.15Å; P343-F346 PolarHBondContact O-N 3.23Å; T344-F346 VanDerWaalsContact C-N 3.28Å; T344-F346 PolarHBondContact O-N 3.37Å; F346-S348 VanDerWaalsContact C-N 3.28Å; F346-S348 PolarHBondContact O-N 2.99Å; F346-E349 PolarHBondContact O-N 3.13Å; F346-I350 HydrophobicContact CB-CD1 4.44Å; F346-I350 VanDerWaalsContact O-CB 3.3Å; F346-I350 WeakPolarHBondContact O-CB 3.5Å; F346-I350 WeakPolarHBondContact O-CD1 3.45Å; F346-I350 WeakPolarHBondContact O-CG1 3.41Å; F346-I350 PolarHBondContact O-N 3.19Å; F346-I365 HydrophobicContact CB-CD1 4.03Å; F346-I365 HydrophobicContact CB-CG2 4.32Å; F346-I365 HydrophobicContact CD1-CD1 4.02Å; F346-I365 HydrophobicContact CD1-CG1 3.99Å; F346-I365 HydrophobicContact CD1-CG2 4.1Å; F346-I365 HydrophobicContact CD2-CG2 3.6Å; F346-I365 HydrophobicContact CE1-CG1 4.3Å; F346-I365 HydrophobicContact CE1-CG2 4.28Å; F346-I365 HydrophobicContact CE2-CG2 3.8Å; F346-I365 HydrophobicContact CG-CD1 4.14Å; F346-I365 HydrophobicContact CG-CG1 4.33Å; F346-I365 HydrophobicContact CG-CG2 3.77Å; F346-I365 HydrophobicContact CZ-CG2 4.14Å; F346-M369 HydrophobicContact CD2-SD 4.19Å; F346-M369 HydrophobicContact CE2-CG 3.95Å; F346-M369 HydrophobicContact CE2-SD 3.81Å |
| 347 | V | 98.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -56.4 | -45.2 | 175.2 | -174.4 | 0 | 0 | 0 | 0 | 111 | V314 F342 T344 K345 L351 C386 | V314-V347 HydrophobicContact CB-CG2 4.26Å; V314-V347 HydrophobicContact CG1-CG2 4.47Å; V314-V347 HydrophobicContact CG2-CG2 3.82Å; F342-V347 HydrophobicContact CD1-CG2 4.32Å; F342-V347 HydrophobicContact CE1-CG2 3.9Å; T344-V347 WeakPolarHBondContact O-CB 3.3Å; T344-V347 PolarHBondContact O-N 2.85Å; T344-V347 VanDerWaalsContact O-N 3.15Å; K345-V347 VanDerWaalsContact C-N 3.33Å; K345-V347 PolarHBondContact O-N 2.87Å; V347-L351 HydrophobicContact CG1-CD1 4.29Å; V347-L351 WeakPolarHBondContact O-CG 3.44Å; V347-L351 PolarHBondContact O-N 3.46Å; V347-L351 VanDerWaalsContact O-N 3.16Å; V347-C386 HydrophobicContact CG1-CB 3.89Å |
| 348 | S | 97.8 | Very high | 93.5 | Very high | 13 Ų | 13 | 57.6 Ų | 57.6 | 9% | 0.091 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.6 | -43.6 | 179.7 | -54.7 | 0 | 0 | 0 | 0 | 112.1 | T344 K345 F346 L351 S352 H425 | T344-S348 PolarHBondContact O-N 3.29Å; T344-S348 VanDerWaalsContact O-N 3.15Å; T344-S348 PolarHBondContact O-OG 3.15Å; K345-S348 PolarHBondContact O-N 3.32Å; F346-S348 VanDerWaalsContact C-N 3.28Å; F346-S348 PolarHBondContact O-N 2.99Å; S348-L351 PolarHBondContact O-N 3.25Å; S348-S352 WeakPolarHBondContact O-CB 3.47Å; S348-S352 PolarHBondContact O-N 3.47Å; S348-S352 VanDerWaalsContact O-N 3.13Å; S348-S352 PolarHBondContact O-OG 2.91Å; S348-H425 PolarHBondContact OG-CD2 3.14Å |
| 349 | E | 97.4 | Very high | 93.4 | Very high | 38 Ų | 38 | 57 Ų | 57 | 18% | 0.178 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.1 | -43.3 | 178 | -71.8 | 178.7 | 176.2 | 0 | 0 | 112.2 | K345 F346 L351 S352 D353 N361 R364 I365 | K345-E349 WeakPolarHBondContact CE-OE1 3.26Å; K345-E349 HydrophobicContact CG-CG 4.45Å; K345-E349 IonicContact NZ-OE1 2.81Å; K345-E349 WeakPolarHBondContact O-CG 3.48Å; K345-E349 PolarHBondContact O-N 3.42Å; F346-E349 PolarHBondContact O-N 3.13Å; E349-L351 VanDerWaalsContact C-N 3.31Å; E349-L351 PolarHBondContact O-N 2.81Å; E349-S352 WeakPolarHBondContact O-CB 3.34Å; E349-S352 PolarHBondContact O-N 3.24Å; E349-D353 PolarHBondContact O-N 3.19Å; E349-N361 HydrophobicContact CB-CB 4.42Å; E349-N361 PolarHBondContact O-ND2 3.29Å; E349-N361 VanDerWaalsContact O-ND2 3.12Å; E349-R364 IonicContact OE1-NH2 3.51Å; E349-R364 IonicContact OE2-CZ 3.22Å; E349-R364 IonicContact OE2-NH1 3.69Å; E349-R364 PolarHBondContact OE2-NH1 2.88Å; E349-R364 IonicContact OE2-NH2 2.7Å; E349-R364 PolarHBondContact OE2-NH2 3.49Å; E349-I365 HydrophobicContact CB-CD1 4.1Å |
| 350 | I | 97.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.7 | -41.4 | 178.3 | -71.9 | 168.9 | 0 | 0 | 0 | 111.4 | F342 F346 S352 D353 I362 I365 I382 R383 C386 | F342-I350 HydrophobicContact CE1-CD1 4.29Å; F342-I350 HydrophobicContact CZ-CD1 3.57Å; F346-I350 HydrophobicContact CB-CD1 4.44Å; F346-I350 VanDerWaalsContact O-CB 3.3Å; F346-I350 WeakPolarHBondContact O-CB 3.5Å; F346-I350 WeakPolarHBondContact O-CD1 3.45Å; F346-I350 WeakPolarHBondContact O-CG1 3.41Å; F346-I350 PolarHBondContact O-N 3.19Å; I350-S352 PolarHBondContact O-N 3.26Å; I350-D353 PolarHBondContact O-N 3.04Å; I350-I362 HydrophobicContact CB-CG1 4.19Å; I350-I362 HydrophobicContact CD1-CG1 4.39Å; I350-I362 HydrophobicContact CG1-CG1 3.79Å; I350-I362 HydrophobicContact CG2-CD1 3.88Å; I350-I362 HydrophobicContact CG2-CG1 3.72Å; I350-I365 HydrophobicContact CD1-CD1 4.06Å; I350-I365 HydrophobicContact CG1-CD1 3.63Å; I350-I382 HydrophobicContact CD1-CG2 3.71Å; I350-I382 HydrophobicContact CG2-CG2 4.45Å; I350-R383 HydrophobicContact CG2-CB 4.44Å; I350-R383 HydrophobicContact CG2-CG 4.49Å; I350-C386 HydrophobicContact CG2-CB 4.14Å |
| 351 | L | 96.7 | Very high | 93.6 | Very high | 19 Ų | 19 | 53.1 Ų | 53.1 | 10% | 0.099 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -4.8 | 178 | -64.6 | 177.9 | 0 | 0 | 0 | 113.3 | V347 S348 E349 R383 C386 H387 T390 H425 P426 | V347-L351 HydrophobicContact CG1-CD1 4.29Å; V347-L351 WeakPolarHBondContact O-CG 3.44Å; V347-L351 PolarHBondContact O-N 3.46Å; V347-L351 VanDerWaalsContact O-N 3.16Å; S348-L351 PolarHBondContact O-N 3.25Å; E349-L351 VanDerWaalsContact C-N 3.31Å; E349-L351 PolarHBondContact O-N 2.81Å; L351-R383 HydrophobicContact CD2-CG 4.3Å; L351-C386 HydrophobicContact CD1-CB 4.19Å; L351-C386 HydrophobicContact CD2-CB 4.16Å; L351-C386 HydrophobicContact CG-CB 4.05Å; L351-H387 HydrophobicContact CD2-CB 4.05Å; L351-T390 HydrophobicContact CD1-CG2 4.41Å; L351-T390 WeakPolarHBondContact CD1-OG1 3.42Å; L351-H425 VanDerWaalsContact CD1-CE1 3.43Å; L351-H425 WeakPolarHBondContact CD1-CE1 3.33Å; L351-P426 HydrophobicContact CB-CG 3.99Å; L351-P426 WeakPolarHBondContact O-CG 3.35Å |
| 352 | S | 95.5 | Very high | 93.6 | Very high | 62 Ų | 62 | 51.7 Ų | 51.7 | 43% | 0.434 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 4.7 | 172.6 | -56 | 0 | 0 | 0 | 0 | 112.8 | S348 E349 I350 D354 P426 | S348-S352 WeakPolarHBondContact O-CB 3.47Å; S348-S352 PolarHBondContact O-N 3.47Å; S348-S352 VanDerWaalsContact O-N 3.13Å; S348-S352 PolarHBondContact O-OG 2.91Å; E349-S352 WeakPolarHBondContact O-CB 3.34Å; E349-S352 PolarHBondContact O-N 3.24Å; I350-S352 PolarHBondContact O-N 3.26Å; S352-D354 PolarHBondContact O-N 2.88Å; S352-P426 VanDerWaalsContact OG-CG 3.26Å; S352-P426 WeakPolarHBondContact OG-CG 3.39Å |
| 353 | D | 89.4 | Confident | 93.5 | Very high | 11 Ų | 11 | 58.9 Ų | 58.9 | 6% | 0.059 | 31% | 0.309 | C | S | . | . | trans | -58.1 | 132.6 | 176.5 | -89.3 | -26.6 | 0 | 0 | 0 | 111.9 | E349 I350 F359 A360 N361 | E349-D353 PolarHBondContact O-N 3.19Å; I350-D353 PolarHBondContact O-N 3.04Å; D353-F359 WeakPolarHBondContact OD2-CA 3.5Å; D353-F359 PolarHBondContact OD2-N 3.32Å; D353-A360 PolarHBondContact OD1-N 3.18Å; D353-N361 WeakPolarHBondContact OD1-CB 3.43Å; D353-N361 PolarHBondContact OD1-N 3.26Å; D353-N361 PolarHBondContact OD1-ND2 2.95Å | ||
| 354 | D | 84.8 | Confident | 93.5 | Very high | 95 Ų | 95 | 60.5 Ų | 60.5 | 51% | 0.508 | 31% | 0.307 | S | S | . | . | trans | -65.3 | 145.7 | 177.7 | -160.6 | -47.9 | 0 | 0 | 0 | 110.9 | S352 E356 A357 | S352-D354 PolarHBondContact O-N 2.88Å; D354-E356 PolarHBondContact O-N 2.91Å; D354-E356 PolarHBondContact OD1-N 3.41Å; D354-A357 HydrophobicContact CB-CB 4.44Å; D354-A357 CarbonylContact O-C 3.57Å; D354-A357 VanDerWaalsContact O-C 3.24Å; D354-A357 PolarHBondContact O-N 3.35Å | ||
| 355 | E | 83 | Confident | 93.6 | Very high | 184 Ų | 184 | 59.7 Ų | 59.7 | 86% | 0.86 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -62.9 | -31.9 | 172.7 | -64.8 | -171.9 | 177.9 | 0 | 0 | 111.8 | ||
| 356 | E | 85.3 | Confident | 93.6 | Very high | 182 Ų | 182 | 53.4 Ų | 53.4 | 85% | 0.85 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -77.4 | -23.6 | 178.3 | -62.5 | -169.7 | 170.1 | 0 | 0 | 113.1 | D354 | D354-E356 PolarHBondContact O-N 2.91Å; D354-E356 PolarHBondContact OD1-N 3.41Å |
| 357 | A | 86.6 | Confident | 93.5 | Very high | 48 Ų | 48 | 57 Ų | 57 | 40% | 0.397 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -131.8 | 63.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | D354 F359 A360 | D354-A357 HydrophobicContact CB-CB 4.44Å; D354-A357 CarbonylContact O-C 3.57Å; D354-A357 VanDerWaalsContact O-C 3.24Å; D354-A357 PolarHBondContact O-N 3.35Å; A357-F359 PolarHBondContact O-N 2.96Å; A357-A360 HydrophobicContact CB-CB 4.25Å; A357-A360 WeakPolarHBondContact O-CB 3.44Å; A357-A360 PolarHBondContact O-N 3.01Å |
| 358 | P | 86.6 | Confident | 93.4 | Very high | 68 Ų | 68 | 62.4 Ų | 62.4 | 44% | 0.442 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | 136.7 | -176.5 | 26.3 | -34.4 | 0 | 0 | 0 | 110.1 | A360 | P358-A360 VanDerWaalsContact C-N 3.3Å; P358-A360 PolarHBondContact O-N 3.45Å |
| 359 | F | 93.5 | Very high | 93.3 | Very high | 47 Ų | 47 | 62.4 Ų | 62.4 | 21% | 0.206 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.3 | 10.6 | 176.2 | -40.6 | -53.5 | 0 | 0 | 0 | 115.8 | D353 A357 N361 I362 R363 Y379 V380 R383 | D353-F359 WeakPolarHBondContact OD2-CA 3.5Å; D353-F359 PolarHBondContact OD2-N 3.32Å; A357-F359 PolarHBondContact O-N 2.96Å; F359-N361 PolarHBondContact O-N 2.83Å; F359-I362 HydrophobicContact CB-CB 4.35Å; F359-I362 HydrophobicContact CB-CD1 4.28Å; F359-I362 HydrophobicContact CD1-CD1 3.58Å; F359-I362 HydrophobicContact CE1-CD1 4.37Å; F359-I362 HydrophobicContact CG-CD1 4.36Å; F359-I362 PolarHBondContact O-N 3.48Å; F359-R363 WeakPolarHBondContact O-CB 3.18Å; F359-R363 PolarHBondContact O-N 3.4Å; F359-Y379 HydrophobicContact CB-CD2 3.82Å; F359-Y379 HydrophobicContact CB-CG 4.05Å; F359-Y379 HydrophobicContact CD2-CD2 4.11Å; F359-Y379 HydrophobicContact CG-CD2 4.1Å; F359-Y379 HydrophobicContact CG-CG 4.23Å; F359-V380 HydrophobicContact CE1-CG2 4.5Å; F359-V380 HydrophobicContact CE2-CG2 4.35Å; F359-V380 HydrophobicContact CZ-CG2 3.75Å; F359-R383 HydrophobicContact CE1-CB 4.38Å |
| 360 | A | 95.1 | Very high | 93.2 | Very high | 53 Ų | 53 | 70.7 Ų | 70.7 | 44% | 0.438 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.7 | -46.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | D353 A357 P358 R364 | D353-A360 PolarHBondContact OD1-N 3.18Å; A357-A360 HydrophobicContact CB-CB 4.25Å; A357-A360 WeakPolarHBondContact O-CB 3.44Å; A357-A360 PolarHBondContact O-N 3.01Å; P358-A360 VanDerWaalsContact C-N 3.3Å; P358-A360 PolarHBondContact O-N 3.45Å; A360-R364 PolarHBondContact O-N 3.32Å; A360-R364 VanDerWaalsContact O-N 3.11Å |
| 361 | N | 96.7 | Very high | 93.1 | Very high | 40 Ų | 40 | 71 Ų | 71 | 21% | 0.214 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -67.9 | -40.7 | 175.3 | -72.5 | -55.5 | 0 | 0 | 0 | 111.6 | E349 D353 F359 R363 R364 I365 | E349-N361 HydrophobicContact CB-CB 4.42Å; E349-N361 PolarHBondContact O-ND2 3.29Å; E349-N361 VanDerWaalsContact O-ND2 3.12Å; D353-N361 WeakPolarHBondContact OD1-CB 3.43Å; D353-N361 PolarHBondContact OD1-N 3.26Å; D353-N361 PolarHBondContact OD1-ND2 2.95Å; F359-N361 PolarHBondContact O-N 2.83Å; N361-R363 VanDerWaalsContact C-N 3.33Å; N361-R363 PolarHBondContact O-N 3.5Å; N361-R364 PolarHBondContact O-N 3.05Å; N361-R364 PolarHBondContact OD1-NH2 2.93Å; N361-I365 HydrophobicContact CB-CD1 4.46Å; N361-I365 WeakPolarHBondContact O-CB 3.41Å; N361-I365 WeakPolarHBondContact O-CD1 3.29Å; N361-I365 WeakPolarHBondContact O-CG1 3.44Å; N361-I365 PolarHBondContact O-N 2.99Å |
| 362 | I | 96.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -57.6 | -49.3 | 176.9 | -59.9 | 176.2 | 0 | 0 | 0 | 110.2 | I350 F359 R364 I365 M366 Y379 I382 R383 | I350-I362 HydrophobicContact CB-CG1 4.19Å; I350-I362 HydrophobicContact CD1-CG1 4.39Å; I350-I362 HydrophobicContact CG1-CG1 3.79Å; I350-I362 HydrophobicContact CG2-CD1 3.88Å; I350-I362 HydrophobicContact CG2-CG1 3.72Å; F359-I362 HydrophobicContact CB-CB 4.35Å; F359-I362 HydrophobicContact CB-CD1 4.28Å; F359-I362 HydrophobicContact CD1-CD1 3.58Å; F359-I362 HydrophobicContact CE1-CD1 4.37Å; F359-I362 HydrophobicContact CG-CD1 4.36Å; F359-I362 PolarHBondContact O-N 3.48Å; I362-R364 PolarHBondContact O-N 3.22Å; I362-I365 PolarHBondContact O-N 3.33Å; I362-M366 HydrophobicContact CG2-CG 4.2Å; I362-M366 VanDerWaalsContact O-CG 3.28Å; I362-M366 WeakPolarHBondContact O-CG 3.36Å; I362-M366 PolarHBondContact O-N 3.05Å; I362-Y379 HydrophobicContact CB-CD1 4.35Å; I362-Y379 WeakPolarHBondContact CD1-O 3.39Å; I362-Y379 HydrophobicContact CG2-CD1 3.46Å; I362-Y379 VanDerWaalsContact CG2-CD1 3.46Å; I362-Y379 HydrophobicContact CG2-CE1 4.13Å; I362-Y379 HydrophobicContact CG2-CG 4.08Å; I362-I382 HydrophobicContact CD1-CG2 4.33Å; I362-I382 HydrophobicContact CG1-CG2 4.43Å; I362-I382 HydrophobicContact CG2-CB 4.4Å; I362-I382 HydrophobicContact CG2-CD1 3.87Å; I362-I382 HydrophobicContact CG2-CG2 4.17Å; I362-R383 HydrophobicContact CD1-CB 3.96Å |
| 363 | R | 96 | Very high | 92.2 | Very high | 153 Ų | 153 | 75.8 Ų | 75.8 | 58% | 0.577 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -58.4 | -48.5 | 178.7 | -177.8 | 177.9 | 174.2 | -176.1 | 0.7 | 111.6 | F359 N361 I365 M366 D367 | F359-R363 WeakPolarHBondContact O-CB 3.18Å; F359-R363 PolarHBondContact O-N 3.4Å; N361-R363 VanDerWaalsContact C-N 3.33Å; N361-R363 PolarHBondContact O-N 3.5Å; R363-I365 VanDerWaalsContact C-N 3.32Å; R363-I365 PolarHBondContact O-N 3.45Å; R363-M366 PolarHBondContact O-N 2.95Å; R363-D367 PolarHBondContact O-N 3.37Å |
| 364 | R | 96.4 | Very high | 92.5 | Very high | 93 Ų | 93 | 77.3 Ų | 77.3 | 35% | 0.351 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -57.8 | -44.2 | 176.3 | 179.2 | -176.5 | 57.4 | 72.4 | 0.9 | 111.8 | E349 A360 N361 I362 D367 E368 | E349-R364 IonicContact OE1-NH2 3.51Å; E349-R364 IonicContact OE2-CZ 3.22Å; E349-R364 IonicContact OE2-NH1 3.69Å; E349-R364 PolarHBondContact OE2-NH1 2.88Å; E349-R364 IonicContact OE2-NH2 2.7Å; E349-R364 PolarHBondContact OE2-NH2 3.49Å; A360-R364 PolarHBondContact O-N 3.32Å; A360-R364 VanDerWaalsContact O-N 3.11Å; N361-R364 PolarHBondContact O-N 3.05Å; N361-R364 PolarHBondContact OD1-NH2 2.93Å; I362-R364 PolarHBondContact O-N 3.22Å; R364-D367 PolarHBondContact O-N 3.43Å; R364-E368 IonicContact NH1-OE2 3.44Å; R364-E368 PolarHBondContact NH1-OE2 3.21Å; R364-E368 VanDerWaalsContact O-CB 3.31Å; R364-E368 WeakPolarHBondContact O-CB 3.42Å; R364-E368 PolarHBondContact O-N 2.98Å |
| 365 | I | 97.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -66.5 | -41.7 | -179.8 | -70.1 | 163 | 0 | 0 | 0 | 110.5 | F346 E349 I350 N361 I362 R363 D367 E368 M369 | F346-I365 HydrophobicContact CB-CD1 4.03Å; F346-I365 HydrophobicContact CB-CG2 4.32Å; F346-I365 HydrophobicContact CD1-CD1 4.02Å; F346-I365 HydrophobicContact CD1-CG1 3.99Å; F346-I365 HydrophobicContact CD1-CG2 4.1Å; F346-I365 HydrophobicContact CD2-CG2 3.6Å; F346-I365 HydrophobicContact CE1-CG1 4.3Å; F346-I365 HydrophobicContact CE1-CG2 4.28Å; F346-I365 HydrophobicContact CE2-CG2 3.8Å; F346-I365 HydrophobicContact CG-CD1 4.14Å; F346-I365 HydrophobicContact CG-CG1 4.33Å; F346-I365 HydrophobicContact CG-CG2 3.77Å; F346-I365 HydrophobicContact CZ-CG2 4.14Å; E349-I365 HydrophobicContact CB-CD1 4.1Å; I350-I365 HydrophobicContact CD1-CD1 4.06Å; I350-I365 HydrophobicContact CG1-CD1 3.63Å; N361-I365 HydrophobicContact CB-CD1 4.46Å; N361-I365 WeakPolarHBondContact O-CB 3.41Å; N361-I365 WeakPolarHBondContact O-CD1 3.29Å; N361-I365 WeakPolarHBondContact O-CG1 3.44Å; N361-I365 PolarHBondContact O-N 2.99Å; I362-I365 PolarHBondContact O-N 3.33Å; R363-I365 VanDerWaalsContact C-N 3.32Å; R363-I365 PolarHBondContact O-N 3.45Å; I365-D367 VanDerWaalsContact C-N 3.33Å; I365-D367 PolarHBondContact O-N 2.7Å; I365-E368 PolarHBondContact O-N 3.4Å; I365-M369 HydrophobicContact CG2-CG 4.35Å; I365-M369 HydrophobicContact CG2-SD 3.97Å; I365-M369 WeakPolarHBondContact O-CB 3.31Å; I365-M369 VanDerWaalsContact O-CG 3.26Å; I365-M369 WeakPolarHBondContact O-CG 3.48Å; I365-M369 PolarHBondContact O-N 3.29Å |
| 366 | M | 97.4 | Very high | 93.4 | Very high | 1 Ų | 1 | 67.9 Ų | 67.9 | 1% | 0.005 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.7 | -41.4 | 175.4 | -62.9 | -56.2 | 90.1 | 0 | 0 | 111.6 | F328 F342 I362 R363 M369 R370 I371 H374 Y379 I382 | F328-M366 HydrophobicContact CE1-SD 3.82Å; F328-M366 HydrophobicContact CZ-SD 3.9Å; F342-M366 HydrophobicContact CE2-CE 4.38Å; I362-M366 HydrophobicContact CG2-CG 4.2Å; I362-M366 VanDerWaalsContact O-CG 3.28Å; I362-M366 WeakPolarHBondContact O-CG 3.36Å; I362-M366 PolarHBondContact O-N 3.05Å; R363-M366 PolarHBondContact O-N 2.95Å; M366-M369 HydrophobicContact CE-SD 4.09Å; M366-M369 CarbonylContact O-C 3.33Å; M366-M369 PolarHBondContact O-N 2.81Å; M366-R370 PolarHBondContact O-N 3.2Å; M366-R370 VanDerWaalsContact O-N 3.08Å; M366-I371 HydrophobicContact CB-CB 4.48Å; M366-I371 HydrophobicContact CE-CD1 4.41Å; M366-I371 PolarHBondContact O-N 3.16Å; M366-I371 HydrophobicContact SD-CD1 3.75Å; M366-H374 WeakPolarHBondContact CB-CD2 3.33Å; M366-H374 HydrophobicContact CG-CB 4.48Å; M366-Y379 HydrophobicContact CG-CE1 4.36Å; M366-I382 HydrophobicContact CE-CD1 4.08Å; M366-I382 HydrophobicContact CG-CD1 4.41Å; M366-I382 HydrophobicContact SD-CD1 3.61Å |
| 367 | D | 95.8 | Very high | 93.9 | Very high | 89 Ų | 89 | 62.1 Ų | 62.1 | 48% | 0.476 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.6 | -43.4 | 174.6 | -70.8 | -33.6 | 0 | 0 | 0 | 111.4 | R363 R364 I365 M369 R370 H374 | R363-D367 PolarHBondContact O-N 3.37Å; R364-D367 PolarHBondContact O-N 3.43Å; I365-D367 VanDerWaalsContact C-N 3.33Å; I365-D367 PolarHBondContact O-N 2.7Å; D367-M369 PolarHBondContact O-N 3.03Å; D367-R370 WeakPolarHBondContact O-CA 3.5Å; D367-R370 PolarHBondContact O-N 2.76Å; D367-H374 IonicContact OD1-CE1 3.08Å; D367-H374 IonicContact OD1-NE2 2.67Å; D367-H374 PolarHBondContact OD1-NE2 3.49Å |
| 368 | E | 96.1 | Very high | 94.4 | Very high | 114 Ų | 114 | 60.5 Ų | 60.5 | 53% | 0.533 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.9 | -41.5 | 176.3 | -176.9 | 177.2 | 160.5 | 0 | 0 | 111.7 | R364 I365 R370 | R364-E368 IonicContact NH1-OE2 3.44Å; R364-E368 PolarHBondContact NH1-OE2 3.21Å; R364-E368 VanDerWaalsContact O-CB 3.31Å; R364-E368 WeakPolarHBondContact O-CB 3.42Å; R364-E368 PolarHBondContact O-N 2.98Å; I365-E368 PolarHBondContact O-N 3.4Å; E368-R370 PolarHBondContact O-N 3.46Å |
| 369 | M | 96.1 | Very high | 94.8 | Very high | 14 Ų | 14 | 58.6 Ų | 58.6 | 7% | 0.069 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -3.3 | 172.8 | -67.1 | -178.2 | 74.5 | 0 | 0 | 113.2 | Q335 L336 F342 F346 I365 M366 D367 I371 | Q335-M369 HydrophobicContact CB-CE 3.74Å; Q335-M369 VanDerWaalsContact CG-O 3.24Å; Q335-M369 WeakPolarHBondContact CG-O 3.3Å; L336-M369 HydrophobicContact CD2-CE 4.09Å; F342-M369 HydrophobicContact CD2-CE 4.12Å; F342-M369 HydrophobicContact CD2-SD 3.95Å; F342-M369 HydrophobicContact CE2-SD 4.24Å; F346-M369 HydrophobicContact CD2-SD 4.19Å; F346-M369 HydrophobicContact CE2-CG 3.95Å; F346-M369 HydrophobicContact CE2-SD 3.81Å; I365-M369 HydrophobicContact CG2-CG 4.35Å; I365-M369 HydrophobicContact CG2-SD 3.97Å; I365-M369 WeakPolarHBondContact O-CB 3.31Å; I365-M369 VanDerWaalsContact O-CG 3.26Å; I365-M369 WeakPolarHBondContact O-CG 3.48Å; I365-M369 PolarHBondContact O-N 3.29Å; M366-M369 HydrophobicContact CE-SD 4.09Å; M366-M369 CarbonylContact O-C 3.33Å; M366-M369 PolarHBondContact O-N 2.81Å; D367-M369 PolarHBondContact O-N 3.03Å; M369-I371 VanDerWaalsContact C-N 3.28Å; M369-I371 HydrophobicContact CB-CD1 4.07Å; M369-I371 HydrophobicContact CB-CG1 4.09Å; M369-I371 HydrophobicContact CE-CD1 4.43Å; M369-I371 PolarHBondContact O-N 3.07Å; M369-I371 HydrophobicContact SD-CD1 4.45Å |
| 370 | R | 94.9 | Very high | 94.9 | Very high | 212 Ų | 212 | 57.5 Ų | 57.5 | 80% | 0.8 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.9 | 33.7 | -180 | -51.4 | 178.8 | -178.6 | -179.1 | -0.6 | 113.8 | M366 D367 E368 G372 | M366-R370 PolarHBondContact O-N 3.2Å; M366-R370 VanDerWaalsContact O-N 3.08Å; D367-R370 WeakPolarHBondContact O-CA 3.5Å; D367-R370 PolarHBondContact O-N 2.76Å; E368-R370 PolarHBondContact O-N 3.46Å; R370-G372 PolarHBondContact O-N 3.41Å |
| 371 | I | 94.8 | Very high | 95.1 | Very high | 5 Ų | 5 | 55 Ų | 55 | 3% | 0.026 | 28% | 0.283 | C | S | . | . | trans | -80 | 109.1 | 175.1 | -63.8 | 173.2 | 0 | 0 | 0 | 108 | F328 P333 L336 M366 M369 H374 | F328-I371 HydrophobicContact CD1-CG2 3.7Å; F328-I371 HydrophobicContact CE1-CG2 3.9Å; F328-I371 HydrophobicContact CG-CG2 4.15Å; F328-I371 HydrophobicContact CZ-CD1 4.41Å; P333-I371 HydrophobicContact CB-CD1 4.37Å; P333-I371 HydrophobicContact CB-CG1 3.9Å; P333-I371 HydrophobicContact CB-CG2 4.42Å; P333-I371 HydrophobicContact CG-CD1 4.46Å; P333-I371 HydrophobicContact CG-CG1 4.16Å; P333-I371 HydrophobicContact CG-CG2 3.81Å; L336-I371 HydrophobicContact CD1-CD1 3.81Å; L336-I371 HydrophobicContact CG-CD1 4.07Å; M366-I371 HydrophobicContact CB-CB 4.48Å; M366-I371 HydrophobicContact CE-CD1 4.41Å; M366-I371 PolarHBondContact O-N 3.16Å; M366-I371 HydrophobicContact SD-CD1 3.75Å; M369-I371 VanDerWaalsContact C-N 3.28Å; M369-I371 HydrophobicContact CB-CD1 4.07Å; M369-I371 HydrophobicContact CB-CG1 4.09Å; M369-I371 HydrophobicContact CE-CD1 4.43Å; M369-I371 PolarHBondContact O-N 3.07Å; M369-I371 HydrophobicContact SD-CD1 4.45Å; I371-H374 PolarHBondContact O-CD2 3.41Å; I371-H374 PolarHBondContact O-NE2 2.86Å | ||
| 372 | G | 84.1 | Confident | 95.1 | Very high | 78 Ų | 78 | 53.1 Ų | 53.1 | 80% | 0.804 | 27% | 0.273 | S | S | * | . | trans | -77.7 | -20.3 | -167.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | R370 | R370-G372 PolarHBondContact O-N 3.41Š| ||
| 373 | I | 90.1 | Very high | 95.2 | Very high | 105 Ų | 105 | 57.3 Ų | 57.3 | 54% | 0.538 | 29% | 0.289 | S | S | . | . | trans | -127.6 | 110.2 | -179.9 | -59.3 | 175.4 | 0 | 0 | 0 | 108 | F328 | F328-I373 WeakPolarHBondContact CA-O 3.44Å; F328-I373 WeakPolarHBondContact CB-O 3.39Å; F328-I373 VanDerWaalsContact CD1-O 3.25Å; F328-I373 WeakPolarHBondContact CD1-O 3.49Å | ||
| 374 | H | 95.6 | Very high | 95.2 | Very high | 42 Ų | 42 | 53 Ų | 53 | 19% | 0.194 | 28% | 0.275 | C | S | . | . | trans | -151.5 | 150.6 | 173.7 | 52.2 | 58.2 | 0 | 0 | 0 | 110.9 | F328 M366 D367 I371 D378 Y379 | F328-H374 HydrophobicContact CD1-CB 3.81Å; F328-H374 HydrophobicContact CE1-CB 3.93Å; M366-H374 WeakPolarHBondContact CB-CD2 3.33Å; M366-H374 HydrophobicContact CG-CB 4.48Å; D367-H374 IonicContact OD1-CE1 3.08Å; D367-H374 IonicContact OD1-NE2 2.67Å; D367-H374 PolarHBondContact OD1-NE2 3.49Å; I371-H374 PolarHBondContact O-CD2 3.41Å; I371-H374 PolarHBondContact O-NE2 2.86Å; H374-D378 VanDerWaalsContact CA-OD2 3.27Å; H374-D378 WeakPolarHBondContact CA-OD2 3.43Å; H374-Y379 HydrophobicContact CB-CE1 4.06Å; H374-Y379 PolarHBondContact CE1-OH 3.45Å; H374-Y379 AromaticContact ND1-CE1 3.82Å; H374-Y379 AromaticContact ND1-CZ 3.69Å; H374-Y379 PolarHBondContact ND1-OH 2.81Å | ||
| 375 | G | 93 | Very high | 95.3 | Very high | 27 Ų | 27 | 48.5 Ų | 48.5 | 28% | 0.278 | 26% | 0.259 | S | S | . | . | trans | -149.3 | -170.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | M377 D378 Y379 | G375-M377 VanDerWaalsContact C-N 3.32Å; G375-M377 PolarHBondContact O-N 3.22Å; G375-D378 PolarHBondContact N-OD2 2.8Å; G375-D378 WeakPolarHBondContact O-CB 3.37Å; G375-D378 PolarHBondContact O-N 2.81Å; G375-Y379 WeakPolarHBondContact O-CD1 3.24Å; G375-Y379 WeakPolarHBondContact O-CD2 3.41Å; G375-Y379 VanDerWaalsContact O-CG 3.31Å; G375-Y379 PolarHBondContact O-N 3.36Å | ||
| 376 | A | 93.6 | Very high | 95.4 | Very high | 55 Ų | 55 | 48.5 Ų | 48.5 | 46% | 0.455 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -56.3 | -40.6 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114 | M3 Y379 V380 | M3-A376 HydrophobicContact SD-CB 4.27Å; A376-Y379 PolarHBondContact O-N 2.76Å; A376-V380 WeakPolarHBondContact O-CG2 3.15Å; A376-V380 PolarHBondContact O-N 3.48Å; A376-V380 VanDerWaalsContact O-N 3.1Å |
| 377 | M | 94.9 | Very high | 95.4 | Very high | 61 Ų | 61 | 51.5 Ų | 51.5 | 30% | 0.3 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -67.2 | -38.3 | 178.6 | -174.1 | 59.5 | 83.7 | 0 | 0 | 112 | M3 P6 G375 Y379 V380 I381 | M3-M377 HydrophobicContact CE-CB 4.17Å; M3-M377 HydrophobicContact CE-CE 3.46Å; M3-M377 VanDerWaalsContact CE-CE 3.46Å; M3-M377 HydrophobicContact CE-SD 4.06Å; P6-M377 HydrophobicContact CG-SD 4.35Å; G375-M377 VanDerWaalsContact C-N 3.32Å; G375-M377 PolarHBondContact O-N 3.22Å; M377-Y379 VanDerWaalsContact C-N 3.25Å; M377-Y379 PolarHBondContact O-N 3.32Å; M377-V380 PolarHBondContact O-N 3.41Å; M377-I381 HydrophobicContact CG-CD1 3.96Å; M377-I381 HydrophobicContact CG-CG1 4.47Å; M377-I381 WeakPolarHBondContact O-CG1 3.4Å; M377-I381 PolarHBondContact O-N 3.31Å; M377-I381 HydrophobicContact SD-CD1 4.41Å; M377-I381 HydrophobicContact SD-CG1 4.41Å |
| 378 | D | 96.9 | Very high | 95.6 | Very high | 14 Ų | 14 | 47.3 Ų | 47.3 | 8% | 0.075 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -58.9 | -43.1 | 175.2 | -56.9 | -53.5 | 0 | 0 | 0 | 110.1 | M327 F328 H374 G375 V380 I381 I382 | M327-D378 WeakPolarHBondContact CA-OD1 3.4Å; M327-D378 WeakPolarHBondContact CB-OD1 3.34Å; M327-D378 HydrophobicContact CE-CB 4Å; F328-D378 HydrophobicContact CD1-CB 4.27Å; F328-D378 HydrophobicContact CE1-CB 3.99Å; F328-D378 PolarHBondContact N-OD1 2.99Å; H374-D378 VanDerWaalsContact CA-OD2 3.27Å; H374-D378 WeakPolarHBondContact CA-OD2 3.43Å; G375-D378 PolarHBondContact N-OD2 2.8Å; G375-D378 WeakPolarHBondContact O-CB 3.37Å; G375-D378 PolarHBondContact O-N 2.81Å; D378-V380 PolarHBondContact O-N 2.57Å; D378-I381 PolarHBondContact O-N 2.8Å; D378-I382 HydrophobicContact CB-CD1 4.48Å; D378-I382 WeakPolarHBondContact O-CB 3.49Å; D378-I382 WeakPolarHBondContact O-CD1 3.49Å; D378-I382 WeakPolarHBondContact O-CG1 3.25Å; D378-I382 PolarHBondContact O-N 2.82Å |
| 379 | Y | 96.3 | Very high | 95.7 | Very high | 28 Ų | 28 | 41.9 Ų | 41.9 | 11% | 0.11 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.1 | -41 | -179.8 | -52 | -24.8 | 0 | 0 | 0 | 112.7 | F359 I362 M366 H374 G375 A376 M377 I382 R383 | F359-Y379 HydrophobicContact CB-CD2 3.82Å; F359-Y379 HydrophobicContact CB-CG 4.05Å; F359-Y379 HydrophobicContact CD2-CD2 4.11Å; F359-Y379 HydrophobicContact CG-CD2 4.1Å; F359-Y379 HydrophobicContact CG-CG 4.23Å; I362-Y379 HydrophobicContact CB-CD1 4.35Å; I362-Y379 WeakPolarHBondContact CD1-O 3.39Å; I362-Y379 HydrophobicContact CG2-CD1 3.46Å; I362-Y379 VanDerWaalsContact CG2-CD1 3.46Å; I362-Y379 HydrophobicContact CG2-CE1 4.13Å; I362-Y379 HydrophobicContact CG2-CG 4.08Å; M366-Y379 HydrophobicContact CG-CE1 4.36Å; H374-Y379 HydrophobicContact CB-CE1 4.06Å; H374-Y379 PolarHBondContact CE1-OH 3.45Å; H374-Y379 AromaticContact ND1-CE1 3.82Å; H374-Y379 AromaticContact ND1-CZ 3.69Å; H374-Y379 PolarHBondContact ND1-OH 2.81Å; G375-Y379 WeakPolarHBondContact O-CD1 3.24Å; G375-Y379 WeakPolarHBondContact O-CD2 3.41Å; G375-Y379 VanDerWaalsContact O-CG 3.31Å; G375-Y379 PolarHBondContact O-N 3.36Å; A376-Y379 PolarHBondContact O-N 2.76Å; M377-Y379 VanDerWaalsContact C-N 3.25Å; M377-Y379 PolarHBondContact O-N 3.32Å; Y379-I382 PolarHBondContact O-N 3.26Å; Y379-R383 WeakPolarHBondContact O-CB 3.33Å; Y379-R383 PolarHBondContact O-N 3.5Å |
| 380 | V | 95.8 | Very high | 95.8 | Very high | 24 Ų | 24 | 41.2 Ų | 41.2 | 15% | 0.145 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.9 | -45.7 | 175.2 | 172.8 | 0 | 0 | 0 | 0 | 110.4 | M3 L5 F359 A376 M377 D378 Q384 | M3-V380 HydrophobicContact CB-CG2 4.27Å; M3-V380 HydrophobicContact SD-CG2 4.24Å; L5-V380 HydrophobicContact CD2-CG1 3.82Å; F359-V380 HydrophobicContact CE1-CG2 4.5Å; F359-V380 HydrophobicContact CE2-CG2 4.35Å; F359-V380 HydrophobicContact CZ-CG2 3.75Å; A376-V380 WeakPolarHBondContact O-CG2 3.15Å; A376-V380 PolarHBondContact O-N 3.48Å; A376-V380 VanDerWaalsContact O-N 3.1Å; M377-V380 PolarHBondContact O-N 3.41Å; D378-V380 PolarHBondContact O-N 2.57Å; V380-Q384 WeakPolarHBondContact O-CB 3.4Å; V380-Q384 PolarHBondContact O-N 3.01Å |
| 381 | I | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.6 | -48.8 | 178.3 | -65 | 168.4 | 0 | 0 | 0 | 110.7 | L5 P6 V9 F321 M327 M377 D378 R383 Q384 V385 | L5-I381 HydrophobicContact CD2-CG1 4.3Å; P6-I381 HydrophobicContact CG-CD1 4.22Å; V9-I381 HydrophobicContact CG1-CG2 4.26Å; V9-I381 HydrophobicContact CG2-CD1 4Å; V9-I381 HydrophobicContact CG2-CG1 4.12Å; V9-I381 HydrophobicContact CG2-CG2 4.26Å; F321-I381 HydrophobicContact CD2-CG2 3.63Å; F321-I381 HydrophobicContact CE2-CG2 4.02Å; F321-I381 HydrophobicContact CG-CG2 4.43Å; M327-I381 HydrophobicContact CE-CB 4.38Å; M327-I381 HydrophobicContact CE-CG2 4.27Å; M327-I381 HydrophobicContact CG-CD1 3.94Å; M327-I381 HydrophobicContact CG-CG2 4.38Å; M327-I381 HydrophobicContact SD-CB 4.25Å; M327-I381 HydrophobicContact SD-CG2 3.63Å; M377-I381 HydrophobicContact CG-CD1 3.96Å; M377-I381 HydrophobicContact CG-CG1 4.47Å; M377-I381 WeakPolarHBondContact O-CG1 3.4Å; M377-I381 PolarHBondContact O-N 3.31Å; M377-I381 HydrophobicContact SD-CD1 4.41Å; M377-I381 HydrophobicContact SD-CG1 4.41Å; D378-I381 PolarHBondContact O-N 2.8Å; I381-R383 VanDerWaalsContact C-N 3.35Å; I381-R383 PolarHBondContact O-N 3.39Å; I381-Q384 PolarHBondContact O-N 3.23Å; I381-Q384 VanDerWaalsContact O-N 3.16Å; I381-V385 HydrophobicContact CG2-CG2 4.27Å; I381-V385 WeakPolarHBondContact O-CG2 3.47Å; I381-V385 PolarHBondContact O-N 2.95Å |
| 382 | I | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.3 | -48 | 179.5 | -70.4 | 162.8 | 0 | 0 | 0 | 110.8 | I318 M327 F328 I350 I362 M366 D378 Y379 Q384 V385 C386 | I318-I382 HydrophobicContact CD1-CG1 4.11Å; I318-I382 HydrophobicContact CD1-CG2 4.44Å; I318-I382 HydrophobicContact CG1-CG1 4.48Å; M327-I382 HydrophobicContact CE-CD1 3.9Å; M327-I382 HydrophobicContact CE-CG1 3.53Å; F328-I382 HydrophobicContact CE1-CD1 4.38Å; F328-I382 HydrophobicContact CZ-CD1 4.07Å; I350-I382 HydrophobicContact CD1-CG2 3.71Å; I350-I382 HydrophobicContact CG2-CG2 4.45Å; I362-I382 HydrophobicContact CD1-CG2 4.33Å; I362-I382 HydrophobicContact CG1-CG2 4.43Å; I362-I382 HydrophobicContact CG2-CB 4.4Å; I362-I382 HydrophobicContact CG2-CD1 3.87Å; I362-I382 HydrophobicContact CG2-CG2 4.17Å; M366-I382 HydrophobicContact CE-CD1 4.08Å; M366-I382 HydrophobicContact CG-CD1 4.41Å; M366-I382 HydrophobicContact SD-CD1 3.61Å; D378-I382 HydrophobicContact CB-CD1 4.48Å; D378-I382 WeakPolarHBondContact O-CB 3.49Å; D378-I382 WeakPolarHBondContact O-CD1 3.49Å; D378-I382 WeakPolarHBondContact O-CG1 3.25Å; D378-I382 PolarHBondContact O-N 2.82Å; Y379-I382 PolarHBondContact O-N 3.26Å; I382-Q384 VanDerWaalsContact C-N 3.32Å; I382-Q384 PolarHBondContact O-N 3.25Å; I382-V385 PolarHBondContact O-N 3.37Å; I382-C386 WeakPolarHBondContact O-CB 3.49Å; I382-C386 PolarHBondContact O-N 3.37Å; I382-C386 PolarHBondContact O-SG 3.37Å |
| 383 | R | 97.2 | Very high | 96.9 | Very high | 89 Ų | 89 | 28.8 Ų | 28.8 | 34% | 0.336 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -61 | -43 | 178.4 | -171 | 176.3 | -178.4 | 176.7 | 4 | 111.2 | I350 L351 F359 I362 Y379 I381 C386 H387 | I350-R383 HydrophobicContact CG2-CB 4.44Å; I350-R383 HydrophobicContact CG2-CG 4.49Å; L351-R383 HydrophobicContact CD2-CG 4.3Å; F359-R383 HydrophobicContact CE1-CB 4.38Å; I362-R383 HydrophobicContact CD1-CB 3.96Å; Y379-R383 WeakPolarHBondContact O-CB 3.33Å; Y379-R383 PolarHBondContact O-N 3.5Å; I381-R383 VanDerWaalsContact C-N 3.35Å; I381-R383 PolarHBondContact O-N 3.39Å; R383-C386 PolarHBondContact O-N 2.96Å; R383-H387 WeakPolarHBondContact O-CB 3.41Å; R383-H387 PolarHBondContact O-N 2.91Å |
| 384 | Q | 97.7 | Very high | 97.3 | Very high | 61 Ų | 61 | 23.8 Ų | 23.8 | 29% | 0.285 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -64.3 | -44.1 | 178.1 | -174.9 | 65.1 | 43.7 | 0 | 0 | 112.1 | L5 L13 V380 I381 I382 C386 H387 T388 | L5-Q384 HydrophobicContact CD1-CB 4.23Å; L5-Q384 HydrophobicContact CD1-CG 3.6Å; L5-Q384 HydrophobicContact CD2-CB 4.12Å; L5-Q384 HydrophobicContact CD2-CG 4.33Å; L13-Q384 HydrophobicContact CD1-CB 4.47Å; L13-Q384 HydrophobicContact CD1-CG 3.67Å; V380-Q384 WeakPolarHBondContact O-CB 3.4Å; V380-Q384 PolarHBondContact O-N 3.01Å; I381-Q384 PolarHBondContact O-N 3.23Å; I381-Q384 VanDerWaalsContact O-N 3.16Å; I382-Q384 VanDerWaalsContact C-N 3.32Å; I382-Q384 PolarHBondContact O-N 3.25Å; Q384-C386 PolarHBondContact O-N 2.69Å; Q384-H387 PolarHBondContact O-N 2.68Å; Q384-T388 PolarHBondContact NE2-OG1 3.03Å; Q384-T388 WeakPolarHBondContact O-CB 3.31Å; Q384-T388 PolarHBondContact O-N 3.35Å; Q384-T388 PolarHBondContact O-OG1 2.97Å |
| 385 | V | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58.7 | -49.2 | 176.2 | 172.5 | 0 | 0 | 0 | 0 | 110.3 | L13 V314 L317 I318 F321 I381 I382 H387 T388 V389 | L13-V385 HydrophobicContact CD1-CG2 4.28Å; L13-V385 HydrophobicContact CD2-CG2 4.25Å; V314-V385 HydrophobicContact CB-CG1 4.23Å; V314-V385 HydrophobicContact CG1-CG1 3.93Å; V314-V385 HydrophobicContact CG2-CG1 4.13Å; L317-V385 HydrophobicContact CB-CG1 3.79Å; L317-V385 HydrophobicContact CD1-CG1 3.91Å; I318-V385 HydrophobicContact CG1-CG1 4.39Å; F321-V385 HydrophobicContact CD2-CG2 4.19Å; F321-V385 HydrophobicContact CE2-CG2 3.6Å; I381-V385 HydrophobicContact CG2-CG2 4.27Å; I381-V385 WeakPolarHBondContact O-CG2 3.47Å; I381-V385 PolarHBondContact O-N 2.95Å; I382-V385 PolarHBondContact O-N 3.37Å; V385-H387 VanDerWaalsContact C-N 3.32Å; V385-H387 PolarHBondContact O-N 3.19Å; V385-T388 PolarHBondContact O-N 3.47Å; V385-V389 HydrophobicContact CG1-CG2 4.43Å; V385-V389 WeakPolarHBondContact O-CB 3.34Å; V385-V389 WeakPolarHBondContact O-CG2 3.14Å; V385-V389 PolarHBondContact O-N 3.2Å |
| 386 | C | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -57.7 | -46.1 | 177.6 | -68.9 | 0 | 0 | 0 | 0 | 111.4 | V347 I350 L351 I382 R383 Q384 T390 | V347-C386 HydrophobicContact CG1-CB 3.89Å; I350-C386 HydrophobicContact CG2-CB 4.14Å; L351-C386 HydrophobicContact CD1-CB 4.19Å; L351-C386 HydrophobicContact CD2-CB 4.16Å; L351-C386 HydrophobicContact CG-CB 4.05Å; I382-C386 WeakPolarHBondContact O-CB 3.49Å; I382-C386 PolarHBondContact O-N 3.37Å; I382-C386 PolarHBondContact O-SG 3.37Å; R383-C386 PolarHBondContact O-N 2.96Å; Q384-C386 PolarHBondContact O-N 2.69Å; C386-T390 VanDerWaalsContact O-CB 3.3Å; C386-T390 WeakPolarHBondContact O-CB 3.38Å; C386-T390 PolarHBondContact O-N 2.66Å; C386-T390 PolarHBondContact O-OG1 3.34Å |
| 387 | H | 98 | Very high | 97.9 | Very high | 63 Ų | 63 | 17.9 Ų | 17.9 | 29% | 0.292 | 8% | 0.081 | S | C | . | . | H | α-helix | trans | -62.8 | -50.4 | 178.6 | 179.9 | 64.7 | 0 | 0 | 0 | 112.1 | L351 R383 Q384 V385 V389 T390 E391 | L351-H387 HydrophobicContact CD2-CB 4.05Å; R383-H387 WeakPolarHBondContact O-CB 3.41Å; R383-H387 PolarHBondContact O-N 2.91Å; Q384-H387 PolarHBondContact O-N 2.68Å; V385-H387 VanDerWaalsContact C-N 3.32Å; V385-H387 PolarHBondContact O-N 3.19Å; H387-V389 PolarHBondContact O-N 3.44Å; H387-T390 WeakPolarHBondContact O-CB 3.36Å; H387-T390 PolarHBondContact O-N 3.22Å; H387-E391 IonicContact NE2-OE2 2.77Å; H387-E391 WeakPolarHBondContact O-CB 3.25Å; H387-E391 PolarHBondContact O-N 2.95Å |
| 388 | T | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.006 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -63.7 | -41.1 | -178.1 | -68.9 | 0 | 0 | 0 | 0 | 112.4 | L13 F16 L17 Q384 V385 E391 R392 | L13-T388 HydrophobicContact CB-CG2 4.24Å; L13-T388 HydrophobicContact CD2-CG2 4.25Å; F16-T388 HydrophobicContact CB-CG2 3.43Å; F16-T388 VanDerWaalsContact CB-CG2 3.43Å; F16-T388 HydrophobicContact CG-CG2 4.25Å; L17-T388 HydrophobicContact CD2-CG2 4.01Å; L17-T388 HydrophobicContact CG-CG2 4.5Å; Q384-T388 PolarHBondContact NE2-OG1 3.03Å; Q384-T388 WeakPolarHBondContact O-CB 3.31Å; Q384-T388 PolarHBondContact O-N 3.35Å; Q384-T388 PolarHBondContact O-OG1 2.97Å; V385-T388 PolarHBondContact O-N 3.47Å; T388-E391 PolarHBondContact O-N 3.09Å; T388-R392 WeakPolarHBondContact O-CB 3.39Å; T388-R392 PolarHBondContact O-N 3.32Å |
| 389 | V | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -64.7 | -43.1 | 175.4 | 167.7 | 0 | 0 | 0 | 0 | 111.3 | L310 L313 V314 L317 V385 H387 R392 S393 | L310-V389 HydrophobicContact CB-CG1 4.3Å; L310-V389 HydrophobicContact CD2-CG1 3.82Å; L313-V389 HydrophobicContact CD2-CB 4.47Å; L313-V389 HydrophobicContact CD2-CG1 3.79Å; L313-V389 HydrophobicContact CD2-CG2 3.91Å; L313-V389 HydrophobicContact CG-CG1 4.34Å; L313-V389 HydrophobicContact CG-CG2 3.96Å; V314-V389 HydrophobicContact CG2-CB 3.93Å; V314-V389 HydrophobicContact CG2-CG1 3.99Å; V314-V389 HydrophobicContact CG2-CG2 3.9Å; L317-V389 HydrophobicContact CD1-CG2 3.59Å; V385-V389 HydrophobicContact CG1-CG2 4.43Å; V385-V389 WeakPolarHBondContact O-CB 3.34Å; V385-V389 WeakPolarHBondContact O-CG2 3.14Å; V385-V389 PolarHBondContact O-N 3.2Å; H387-V389 PolarHBondContact O-N 3.44Å; V389-R392 PolarHBondContact O-N 3.41Å; V389-S393 WeakPolarHBondContact O-CB 3.31Å; V389-S393 PolarHBondContact O-N 3.46Å |
| 390 | T | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -62.2 | -47.4 | 176.4 | -59.1 | 0 | 0 | 0 | 0 | 111.3 | L351 C386 H387 S393 A394 H425 Y428 L431 | L351-T390 HydrophobicContact CD1-CG2 4.41Å; L351-T390 WeakPolarHBondContact CD1-OG1 3.42Å; C386-T390 VanDerWaalsContact O-CB 3.3Å; C386-T390 WeakPolarHBondContact O-CB 3.38Å; C386-T390 PolarHBondContact O-N 2.66Å; C386-T390 PolarHBondContact O-OG1 3.34Å; H387-T390 WeakPolarHBondContact O-CB 3.36Å; H387-T390 PolarHBondContact O-N 3.22Å; T390-S393 WeakPolarHBondContact O-CB 3.48Å; T390-S393 PolarHBondContact O-N 3.39Å; T390-A394 WeakPolarHBondContact O-CB 3.49Å; T390-A394 PolarHBondContact O-N 3.44Å; T390-H425 WeakPolarHBondContact CG2-CE1 3.48Å; T390-H425 PolarHBondContact OG1-NE2 2.9Å; T390-Y428 HydrophobicContact CG2-CD2 3.89Å; T390-L431 HydrophobicContact CG2-CD1 3.77Å |
| 391 | E | 98.7 | Very high | 98.5 | Very high | 28 Ų | 28 | 11.9 Ų | 11.9 | 13% | 0.131 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -62.5 | -43.8 | 179.8 | -178.9 | 175.1 | -156.8 | 0 | 0 | 111.4 | H387 T388 S393 A394 S395 L431 R435 | H387-E391 IonicContact NE2-OE2 2.77Å; H387-E391 WeakPolarHBondContact O-CB 3.25Å; H387-E391 PolarHBondContact O-N 2.95Å; T388-E391 PolarHBondContact O-N 3.09Å; E391-S393 VanDerWaalsContact C-N 3.33Å; E391-S393 PolarHBondContact O-N 3.24Å; E391-A394 PolarHBondContact O-N 3.35Å; E391-S395 VanDerWaalsContact O-CB 3.29Å; E391-S395 WeakPolarHBondContact O-CB 3.29Å; E391-S395 PolarHBondContact O-N 3.23Å; E391-S395 PolarHBondContact O-OG 2.82Å; E391-L431 HydrophobicContact CB-CD1 4.42Å; E391-L431 HydrophobicContact CG-CD2 4.36Å; E391-R435 IonicContact OE1-CZ 4Å; E391-R435 IonicContact OE1-NE 3.07Å; E391-R435 IonicContact OE1-NH2 3.93Å; E391-R435 PolarHBondContact OE1-NH2 2.79Å |
| 392 | R | 98.7 | Very high | 98.5 | Very high | 6 Ų | 6 | 11.9 Ų | 11.9 | 2% | 0.023 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -56.8 | -48.6 | 173.6 | -172.1 | -175 | 71.3 | 161.4 | 12.7 | 111.2 | F16 L18 D286 T388 V389 S395 I396 | F16-R392 HydrophobicContact CB-CB 4.43Å; F16-R392 WeakPolarHBondContact O-CB 3.24Å; F16-R392 WeakPolarHBondContact O-CG 3.49Å; L18-R392 HydrophobicContact CD1-CG 4.18Å; L18-R392 HydrophobicContact CG-CG 4.29Å; D286-R392 IonicContact OD1-CZ 2.7Å; D286-R392 VanDerWaalsContact OD1-CZ 3.27Å; D286-R392 IonicContact OD1-NH1 3.22Å; D286-R392 PolarHBondContact OD1-NH1 3.11Å; D286-R392 IonicContact OD1-NH2 3.98Å; D286-R392 PolarHBondContact OD1-NH2 3.49Å; D286-R392 IonicContact OD2-CZ 3.54Å; D286-R392 IonicContact OD2-NH1 3.47Å; D286-R392 PolarHBondContact OD2-NH1 3.09Å; T388-R392 WeakPolarHBondContact O-CB 3.39Å; T388-R392 PolarHBondContact O-N 3.32Å; V389-R392 PolarHBondContact O-N 3.41Å; R392-S395 PolarHBondContact O-N 3.4Å; R392-I396 HydrophobicContact CG-CD1 3.94Å; R392-I396 WeakPolarHBondContact O-CG1 3.31Å; R392-I396 PolarHBondContact O-N 3.38Å |
| 393 | S | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -56.4 | -55.7 | 178.4 | 170.7 | 0 | 0 | 0 | 0 | 111.1 | T305 V389 T390 E391 S395 I396 V397 Y428 | T305-S393 WeakPolarHBondContact CA-OG 3.35Å; T305-S393 WeakPolarHBondContact CB-OG 3.26Å; T305-S393 PolarHBondContact O-OG 2.91Å; V389-S393 WeakPolarHBondContact O-CB 3.31Å; V389-S393 PolarHBondContact O-N 3.46Å; T390-S393 WeakPolarHBondContact O-CB 3.48Å; T390-S393 PolarHBondContact O-N 3.39Å; E391-S393 VanDerWaalsContact C-N 3.33Å; E391-S393 PolarHBondContact O-N 3.24Å; S393-S395 VanDerWaalsContact C-N 3.26Å; S393-S395 PolarHBondContact O-N 3.47Å; S393-I396 PolarHBondContact O-N 2.96Å; S393-V397 WeakPolarHBondContact O-CG2 3.4Å; S393-V397 PolarHBondContact O-N 3.33Å; S393-Y428 VanDerWaalsContact OG-CE2 3.31Å; S393-Y428 WeakPolarHBondContact OG-CE2 3.45Å; S393-Y428 PolarHBondContact OG-OH 3.37Å |
| 394 | A | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -60.7 | -34.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | T390 E391 A398 Y428 L431 L432 | T390-A394 WeakPolarHBondContact O-CB 3.49Å; T390-A394 PolarHBondContact O-N 3.44Å; E391-A394 PolarHBondContact O-N 3.35Å; A394-A398 WeakPolarHBondContact O-CB 3.41Å; A394-A398 PolarHBondContact O-N 3.09Å; A394-Y428 HydrophobicContact CB-CD1 4.43Å; A394-Y428 HydrophobicContact CB-CE1 4.12Å; A394-Y428 HydrophobicContact CB-CE2 4.22Å; A394-Y428 PolarHBondContact N-OH 3.49Å; A394-L431 HydrophobicContact CB-CB 3.76Å; A394-L432 HydrophobicContact CB-CB 4.25Å |
| 395 | S | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 4.8 Ų | 4.8 | 1% | 0.007 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -67.8 | -42.4 | 177.6 | -54.8 | 0 | 0 | 0 | 0 | 112.1 | L23 E391 R392 S393 A398 A399 R435 | L23-S395 WeakPolarHBondContact CD2-O 3.38Å; E391-S395 VanDerWaalsContact O-CB 3.29Å; E391-S395 WeakPolarHBondContact O-CB 3.29Å; E391-S395 PolarHBondContact O-N 3.23Å; E391-S395 PolarHBondContact O-OG 2.82Å; R392-S395 PolarHBondContact O-N 3.4Å; S393-S395 VanDerWaalsContact C-N 3.26Å; S393-S395 PolarHBondContact O-N 3.47Å; S395-A398 WeakPolarHBondContact O-CB 3.09Å; S395-A398 PolarHBondContact O-N 3.44Å; S395-A399 PolarHBondContact O-N 2.9Å; S395-R435 WeakPolarHBondContact OG-CG 3.3Å; S395-R435 PolarHBondContact OG-NE 3.24Å |
| 396 | I | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -66.5 | -42.3 | 177.3 | -67.4 | 166.9 | 0 | 0 | 0 | 110.3 | L18 I26 I281 I301 F304 T305 R392 S393 A398 A399 A400 | L18-I396 HydrophobicContact CD1-CD1 4.06Å; L18-I396 HydrophobicContact CD1-CG1 3.53Å; I26-I396 HydrophobicContact CD1-CG1 4.43Å; I281-I396 HydrophobicContact CD1-CD1 3.94Å; I281-I396 HydrophobicContact CD1-CG1 4.36Å; I301-I396 HydrophobicContact CD1-CG2 3.51Å; F304-I396 HydrophobicContact CB-CD1 3.71Å; F304-I396 HydrophobicContact CD2-CD1 3.85Å; F304-I396 HydrophobicContact CG-CD1 4.09Å; T305-I396 HydrophobicContact CG2-CB 3.8Å; T305-I396 HydrophobicContact CG2-CG2 3.68Å; R392-I396 HydrophobicContact CG-CD1 3.94Å; R392-I396 WeakPolarHBondContact O-CG1 3.31Å; R392-I396 PolarHBondContact O-N 3.38Å; S393-I396 PolarHBondContact O-N 2.96Å; I396-A398 VanDerWaalsContact C-N 3.31Å; I396-A398 PolarHBondContact O-N 2.64Å; I396-A399 PolarHBondContact O-N 2.92Å; I396-A400 PolarHBondContact O-N 3.38Å |
| 397 | V | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -64.6 | -37.2 | 175.5 | -177 | 0 | 0 | 0 | 0 | 111.4 | I213 I215 C219 T305 S393 A399 A400 T401 Y428 L432 | I213-V397 HydrophobicContact CG2-CG1 4.46Å; I215-V397 HydrophobicContact CD1-CG1 3.7Å; I215-V397 HydrophobicContact CG1-CG1 4.29Å; C219-V397 VanDerWaalsContact SG-CG2 3.57Å; T305-V397 HydrophobicContact CG2-CG2 3.79Å; S393-V397 WeakPolarHBondContact O-CG2 3.4Å; S393-V397 PolarHBondContact O-N 3.33Å; V397-A399 VanDerWaalsContact C-N 3.35Å; V397-A399 PolarHBondContact O-N 3.35Å; V397-A400 PolarHBondContact O-N 3.44Å; V397-T401 WeakPolarHBondContact O-CB 3.33Å; V397-T401 PolarHBondContact O-N 2.67Å; V397-T401 PolarHBondContact O-OG1 3.41Å; V397-Y428 WeakPolarHBondContact CG2-OH 3.31Å; V397-L432 HydrophobicContact CB-CD1 4.27Å; V397-L432 HydrophobicContact CG1-CD1 3.84Å |
| 398 | A | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 4.7 Ų | 4.7 | 0% | 0 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -60.6 | -42.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112 | A394 S395 I396 T401 A402 R435 L436 I439 | A394-A398 WeakPolarHBondContact O-CB 3.41Å; A394-A398 PolarHBondContact O-N 3.09Å; S395-A398 WeakPolarHBondContact O-CB 3.09Å; S395-A398 PolarHBondContact O-N 3.44Å; I396-A398 VanDerWaalsContact C-N 3.31Å; I396-A398 PolarHBondContact O-N 2.64Å; A398-T401 PolarHBondContact O-N 3.25Å; A398-A402 WeakPolarHBondContact O-CB 3.28Å; A398-A402 PolarHBondContact O-N 3.44Å; A398-R435 HydrophobicContact CB-CB 3.78Å; A398-L436 HydrophobicContact CB-CB 4.01Å; A398-L436 WeakPolarHBondContact O-CD1 3.46Å; A398-I439 HydrophobicContact CB-CD1 4.41Å |
| 399 | A | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -64.8 | -41.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L23 I26 S395 I396 V397 A402 A403 I439 | L23-A399 HydrophobicContact CB-CB 4.35Å; L23-A399 HydrophobicContact CD2-CB 4.29Å; I26-A399 HydrophobicContact CB-CB 3.96Å; I26-A399 HydrophobicContact CG2-CB 3.79Å; S395-A399 PolarHBondContact O-N 2.9Å; I396-A399 PolarHBondContact O-N 2.92Å; V397-A399 VanDerWaalsContact C-N 3.35Å; V397-A399 PolarHBondContact O-N 3.35Å; A399-A402 PolarHBondContact O-N 3.32Å; A399-A403 PolarHBondContact O-N 3.16Å; A399-I439 HydrophobicContact CB-CD1 4.02Å |
| 400 | A | 98.7 | Very high | 96.9 | Very high | 1 Ų | 1 | 13.1 Ų | 13.1 | 1% | 0.008 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -63 | -42.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | M30 W269 I396 V397 A403 L404 | M30-A400 HydrophobicContact CE-CB 3.66Å; M30-A400 HydrophobicContact SD-CB 3.72Å; W269-A400 HydrophobicContact CD2-CB 4.2Å; W269-A400 HydrophobicContact CE3-CB 4.02Å; W269-A400 HydrophobicContact CH2-CB 4.01Å; W269-A400 HydrophobicContact CZ2-CB 4.23Å; W269-A400 HydrophobicContact CZ3-CB 3.91Å; I396-A400 PolarHBondContact O-N 3.38Å; V397-A400 PolarHBondContact O-N 3.44Å; A400-A403 WeakPolarHBondContact O-CB 3.46Å; A400-A403 PolarHBondContact O-N 3.37Å; A400-L404 PolarHBondContact O-N 3.31Å |
| 401 | T | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -61.8 | -47.6 | 175.5 | -54.9 | 0 | 0 | 0 | 0 | 110.8 | I213 V397 A398 A403 L404 M405 V415 L436 | I213-T401 HydrophobicContact CD1-CG2 3.84Å; I213-T401 VanDerWaalsContact CD1-OG1 3.24Å; I213-T401 WeakPolarHBondContact CD1-OG1 3.4Å; V397-T401 WeakPolarHBondContact O-CB 3.33Å; V397-T401 PolarHBondContact O-N 2.67Å; V397-T401 PolarHBondContact O-OG1 3.41Å; A398-T401 PolarHBondContact O-N 3.25Å; T401-A403 VanDerWaalsContact C-N 3.26Å; T401-A403 PolarHBondContact O-N 3.22Å; T401-L404 WeakPolarHBondContact O-CB 3.4Å; T401-L404 PolarHBondContact O-N 3.48Å; T401-L404 VanDerWaalsContact O-N 3.13Å; T401-M405 HydrophobicContact CG2-CG 4.47Å; T401-M405 HydrophobicContact CG2-SD 4.11Å; T401-M405 VanDerWaalsContact O-CG 3.26Å; T401-M405 WeakPolarHBondContact O-CG 3.22Å; T401-M405 PolarHBondContact O-N 2.93Å; T401-V415 HydrophobicContact CG2-CG1 4.39Å; T401-V415 HydrophobicContact CG2-CG2 4.27Å; T401-L436 HydrophobicContact CG2-CD1 4.32Å; T401-L436 HydrophobicContact CG2-CD2 3.94Å |
| 402 | A | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.1 | -34.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | R27 A398 A399 K406 L436 I439 P441 | R27-A402 HydrophobicContact CG-CB 3.95Å; A398-A402 WeakPolarHBondContact O-CB 3.28Å; A398-A402 PolarHBondContact O-N 3.44Å; A399-A402 PolarHBondContact O-N 3.32Å; A402-K406 PolarHBondContact O-N 3.3Å; A402-K406 VanDerWaalsContact O-N 3.15Å; A402-L436 HydrophobicContact CB-CD1 3.85Å; A402-I439 HydrophobicContact CB-CD1 4.38Å; A402-I439 HydrophobicContact CB-CG1 4.08Å; A402-P441 VanDerWaalsContact O-CG 3.28Å; A402-P441 WeakPolarHBondContact O-CG 3.29Å |
| 403 | A | 98.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -66.1 | -43.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | R27 M30 V31 F34 A399 A400 T401 K406 I407 | R27-A403 HydrophobicContact CG-CB 4.05Å; R27-A403 WeakPolarHBondContact O-CB 3.29Å; M30-A403 HydrophobicContact CB-CB 3.63Å; V31-A403 HydrophobicContact CG2-CB 3.79Å; F34-A403 HydrophobicContact CD2-CB 4.29Å; F34-A403 HydrophobicContact CE2-CB 3.74Å; A399-A403 PolarHBondContact O-N 3.16Å; A400-A403 WeakPolarHBondContact O-CB 3.46Å; A400-A403 PolarHBondContact O-N 3.37Å; T401-A403 VanDerWaalsContact C-N 3.26Å; T401-A403 PolarHBondContact O-N 3.22Å; A403-K406 PolarHBondContact O-N 3Å; A403-I407 PolarHBondContact O-N 3.49Å |
| 404 | L | 97.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63 | -45.1 | 176.7 | -167.5 | 61.2 | 0 | 0 | 0 | 111.7 | M211 S221 Y223 T267 W269 A400 T401 K406 I407 A408 | M211-L404 HydrophobicContact CB-CD2 4.35Å; M211-L404 HydrophobicContact CE-CG 4.15Å; M211-L404 HydrophobicContact CG-CD2 4.06Å; M211-L404 HydrophobicContact CG-CG 4.37Å; M211-L404 HydrophobicContact SD-CB 4.38Å; M211-L404 HydrophobicContact SD-CD2 3.97Å; M211-L404 HydrophobicContact SD-CG 3.93Å; S221-L404 WeakPolarHBondContact OG-CD2 3.43Å; Y223-L404 HydrophobicContact CD1-CD1 3.49Å; Y223-L404 VanDerWaalsContact CD1-CD1 3.49Å; Y223-L404 HydrophobicContact CD1-CG 4.49Å; Y223-L404 HydrophobicContact CD2-CD1 4.25Å; Y223-L404 HydrophobicContact CE1-CD1 3.88Å; Y223-L404 HydrophobicContact CG-CD1 3.69Å; Y223-L404 HydrophobicContact CG-CG 4.3Å; T267-L404 HydrophobicContact CG2-CD1 3.84Å; W269-L404 HydrophobicContact CH2-CD2 4.48Å; W269-L404 HydrophobicContact CZ3-CB 4.07Å; W269-L404 HydrophobicContact CZ3-CD2 3.81Å; W269-L404 HydrophobicContact CZ3-CG 4.48Å; A400-L404 PolarHBondContact O-N 3.31Å; T401-L404 WeakPolarHBondContact O-CB 3.4Å; T401-L404 PolarHBondContact O-N 3.48Å; T401-L404 VanDerWaalsContact O-N 3.13Å; L404-K406 PolarHBondContact O-N 3.1Å; L404-I407 HydrophobicContact CD1-CD1 3.92Å; L404-I407 HydrophobicContact CD1-CG1 4.16Å; L404-I407 VanDerWaalsContact O-CG1 3.25Å; L404-I407 WeakPolarHBondContact O-CG1 3.42Å; L404-I407 PolarHBondContact O-N 3.3Å; L404-A408 WeakPolarHBondContact O-CB 3.37Å; L404-A408 PolarHBondContact O-N 3.29Å |
| 405 | M | 96.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -54.2 | -41.9 | 174.2 | -68.4 | 171.5 | 74.1 | 0 | 0 | 111.9 | M211 T401 L413 L436 V440 P441 I444 W447 | M211-M405 HydrophobicContact CE-CG 4.28Å; M211-M405 HydrophobicContact SD-CG 4.03Å; T401-M405 HydrophobicContact CG2-CG 4.47Å; T401-M405 HydrophobicContact CG2-SD 4.11Å; T401-M405 VanDerWaalsContact O-CG 3.26Å; T401-M405 WeakPolarHBondContact O-CG 3.22Å; T401-M405 PolarHBondContact O-N 2.93Å; M405-L413 HydrophobicContact CB-CD2 4.18Å; M405-L413 HydrophobicContact CE-CD1 4.06Å; M405-L413 HydrophobicContact CE-CD2 4.2Å; M405-L413 HydrophobicContact CE-CG 4.33Å; M405-L413 HydrophobicContact CG-CD1 3.93Å; M405-L413 HydrophobicContact CG-CD2 4.01Å; M405-L413 HydrophobicContact SD-CD1 4.46Å; M405-L436 HydrophobicContact SD-CD1 4.09Å; M405-L436 HydrophobicContact SD-CD2 4.36Å; M405-V440 HydrophobicContact CE-CG2 3.73Å; M405-P441 HydrophobicContact CB-CG 4.36Å; M405-I444 HydrophobicContact CB-CD1 4.35Å; M405-I444 HydrophobicContact CB-CG1 4.42Å; M405-I444 HydrophobicContact CE-CB 4.39Å; M405-I444 HydrophobicContact CE-CG1 4.15Å; M405-I444 HydrophobicContact CE-CG2 3.81Å; M405-W447 HydrophobicContact CE-CB 3.55Å; M405-W447 HydrophobicContact CE-CD2 4.24Å; M405-W447 HydrophobicContact CE-CG 3.73Å |
| 406 | K | 95.9 | Very high | 95 | Very high | 54 Ų | 54 | 24.5 Ų | 24.5 | 24% | 0.235 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -69.2 | -36.1 | -179.4 | -167.6 | 162.8 | -180 | 175.1 | 0 | 113.6 | D28 V31 A402 A403 L404 P441 | D28-K406 IonicContact OD1-NZ 2.59Å; D28-K406 PolarHBondContact OD1-NZ 3.01Å; V31-K406 HydrophobicContact CG1-CD 4.47Å; V31-K406 HydrophobicContact CG2-CB 4.02Å; V31-K406 HydrophobicContact CG2-CD 3.98Å; V31-K406 HydrophobicContact CG2-CG 4.29Å; A402-K406 PolarHBondContact O-N 3.3Å; A402-K406 VanDerWaalsContact O-N 3.15Å; A403-K406 PolarHBondContact O-N 3Å; L404-K406 PolarHBondContact O-N 3.1Å; K406-P441 HydrophobicContact CB-CB 4.23Å; K406-P441 HydrophobicContact CB-CG 3.73Å; K406-P441 HydrophobicContact CD-CB 4.29Å; K406-P441 HydrophobicContact CD-CG 4.35Å; K406-P441 HydrophobicContact CG-CB 4.32Å; K406-P441 HydrophobicContact CG-CG 4.33Å |
| 407 | I | 96.1 | Very high | 95 | Very high | 7 Ų | 7 | 24.5 Ų | 24.5 | 4% | 0.036 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -81.3 | -27.4 | 179.5 | 68.2 | 166.6 | 0 | 0 | 0 | 112.8 | V31 F34 M49 Y223 A403 L404 Q409 | V31-I407 HydrophobicContact CB-CG2 4.42Å; V31-I407 HydrophobicContact CG1-CG2 4.04Å; V31-I407 HydrophobicContact CG2-CG2 4.36Å; F34-I407 HydrophobicContact CB-CD1 3.63Å; F34-I407 HydrophobicContact CB-CG2 4.23Å; F34-I407 HydrophobicContact CD2-CD1 3.66Å; F34-I407 HydrophobicContact CD2-CG1 4.35Å; F34-I407 HydrophobicContact CD2-CG2 4.27Å; F34-I407 HydrophobicContact CG-CD1 3.85Å; M49-I407 HydrophobicContact CE-CD1 3.79Å; Y223-I407 HydrophobicContact CE1-CD1 4.15Å; Y223-I407 HydrophobicContact CE2-CD1 4.19Å; Y223-I407 HydrophobicContact CE2-CG1 4.3Å; Y223-I407 WeakPolarHBondContact OH-CD1 3.45Å; A403-I407 PolarHBondContact O-N 3.49Å; L404-I407 HydrophobicContact CD1-CD1 3.92Å; L404-I407 HydrophobicContact CD1-CG1 4.16Å; L404-I407 VanDerWaalsContact O-CG1 3.25Å; L404-I407 WeakPolarHBondContact O-CG1 3.42Å; L404-I407 PolarHBondContact O-N 3.3Å; I407-Q409 PolarHBondContact O-N 3.04Å |
| 408 | A | 92.8 | Very high | 94.8 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.008 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -67.6 | -23.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | M211 Y223 R229 L404 H410 | M211-A408 HydrophobicContact CE-CB 3.23Å; Y223-A408 HydrophobicContact CD2-CB 4.01Å; Y223-A408 HydrophobicContact CE2-CB 4.39Å; R229-A408 PolarHBondContact NH2-O 2.87Å; L404-A408 WeakPolarHBondContact O-CB 3.37Å; L404-A408 PolarHBondContact O-N 3.29Å; A408-H410 VanDerWaalsContact C-N 3.27Å; A408-H410 PolarHBondContact O-CD2 2.85Å; A408-H410 PolarHBondContact O-N 3.22Å |
| 409 | Q | 88.1 | Confident | 94.6 | Very high | 123 Ų | 123 | 25.8 Ų | 25.8 | 58% | 0.575 | 13% | 0.125 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.7 | 34.2 | 175.4 | -63.2 | -177.7 | -16.1 | 0 | 0 | 114.1 | I407 | I407-Q409 PolarHBondContact O-N 3.04Š|
| 410 | H | 86.8 | Confident | 94.2 | Very high | 55 Ų | 55 | 27.7 Ų | 27.7 | 26% | 0.255 | 14% | 0.141 | S | C | . | . | trans | -101.1 | 133.5 | 168.5 | -67 | -67.7 | 0 | 0 | 0 | 109.7 | A408 R412 L413 I444 | A408-H410 VanDerWaalsContact C-N 3.27Å; A408-H410 PolarHBondContact O-CD2 2.85Å; A408-H410 PolarHBondContact O-N 3.22Å; H410-R412 VanDerWaalsContact C-N 3.3Å; H410-L413 HydrophobicContact CB-CB 4.45Å; H410-L413 HydrophobicContact CB-CD2 4.38Å; H410-I444 WeakPolarHBondContact O-CD1 3.4Å | ||
| 411 | D | 83.9 | Confident | 94.1 | Very high | 90 Ų | 90 | 27.8 Ų | 27.8 | 48% | 0.481 | 14% | 0.141 | S | C | . | . | S | Bend | trans | -79.1 | -17.6 | 174.9 | 63.7 | -19.5 | 0 | 0 | 0 | 112.7 | T445 E446 | D411-T445 HydrophobicContact CB-CG2 4.49Å; D411-T445 PolarHBondContact O-N 3.07Å; D411-T445 PolarHBondContact O-OG1 2.87Å; D411-E446 PolarHBondContact O-N 3.12Å; D411-E446 VanDerWaalsContact O-N 3.16Å |
| 412 | R | 87.7 | Confident | 94 | Very high | 156 Ų | 156 | 28.7 Ų | 28.7 | 59% | 0.589 | 15% | 0.146 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 128 | 174.9 | -52.7 | -170.4 | -177.6 | 178.9 | -2.9 | 110.8 | H410 E446 | H410-R412 VanDerWaalsContact C-N 3.3Å; R412-E446 VanDerWaalsContact CA-O 3.29Å; R412-E446 WeakPolarHBondContact CA-O 3.22Å; R412-E446 HydrophobicContact CB-CB 4.38Å; R412-E446 WeakPolarHBondContact CD-OE2 3.42Å; R412-E446 HydrophobicContact CG-CB 3.99Å; R412-E446 IonicContact CZ-OE2 3.37Å; R412-E446 IonicContact NE-OE2 3.52Å; R412-E446 IonicContact NH1-OE2 2.68Å |
| 413 | L | 91.5 | Very high | 93.7 | Very high | 5 Ų | 5 | 34.4 Ų | 34.4 | 3% | 0.026 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 151.5 | 179.1 | 65.3 | 98.4 | 0 | 0 | 0 | 113 | M211 M405 H410 V415 I444 E446 W447 H448 | M211-L413 HydrophobicContact CE-CD1 4.3Å; M211-L413 HydrophobicContact CE-CD2 4.08Å; M211-L413 HydrophobicContact SD-CD1 3.95Å; M405-L413 HydrophobicContact CB-CD2 4.18Å; M405-L413 HydrophobicContact CE-CD1 4.06Å; M405-L413 HydrophobicContact CE-CD2 4.2Å; M405-L413 HydrophobicContact CE-CG 4.33Å; M405-L413 HydrophobicContact CG-CD1 3.93Å; M405-L413 HydrophobicContact CG-CD2 4.01Å; M405-L413 HydrophobicContact SD-CD1 4.46Å; H410-L413 HydrophobicContact CB-CB 4.45Å; H410-L413 HydrophobicContact CB-CD2 4.38Å; L413-V415 HydrophobicContact CD1-CG2 3.46Å; L413-V415 VanDerWaalsContact CD1-CG2 3.46Å; L413-I444 HydrophobicContact CD2-CD1 4.01Å; L413-E446 PolarHBondContact N-O 3.4Å; L413-W447 VanDerWaalsContact O-CA 3.28Å; L413-W447 WeakPolarHBondContact O-CA 3.18Å; L413-H448 PolarHBondContact O-N 3.04Å; L413-H448 VanDerWaalsContact O-N 3.17Å |
| 414 | V | 94.6 | Very high | 93.5 | Very high | 23 Ų | 23 | 41.6 Ų | 41.6 | 14% | 0.139 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 138.4 | 167.5 | -177.6 | 0 | 0 | 0 | 0 | 109.3 | I205 D208 C209 T210 H448 A450 | I205-V414 HydrophobicContact CG2-CG1 3.83Å; D208-V414 HydrophobicContact CB-CG2 3.92Å; D208-V414 PolarHBondContact O-N 3.16Å; C209-V414 WeakPolarHBondContact CA-O 3.29Å; C209-V414 HydrophobicContact CB-CB 4.15Å; C209-V414 HydrophobicContact CB-CG1 4.28Å; T210-V414 PolarHBondContact N-O 2.94Å; V414-H448 CarbonylContact C-O 3.54Å; V414-H448 WeakPolarHBondContact CA-O 3.39Å; V414-H448 HydrophobicContact CG1-CB 4.45Å; V414-H448 HydrophobicContact CG2-CB 4.29Å; V414-A450 HydrophobicContact CG1-CB 4.49Å |
| 415 | V | 97.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 115.6 | 175 | -170.8 | 0 | 0 | 0 | 0 | 108.7 | M211 I213 T401 L413 L417 H448 V449 A450 | M211-V415 HydrophobicContact CB-CB 4.39Å; M211-V415 HydrophobicContact CB-CG1 3.97Å; M211-V415 HydrophobicContact CB-CG2 4.27Å; M211-V415 HydrophobicContact SD-CG2 4.06Å; I213-V415 HydrophobicContact CD1-CG1 3.44Å; I213-V415 VanDerWaalsContact CD1-CG1 3.44Å; I213-V415 HydrophobicContact CG1-CG1 3.88Å; T401-V415 HydrophobicContact CG2-CG1 4.39Å; T401-V415 HydrophobicContact CG2-CG2 4.27Å; L413-V415 HydrophobicContact CD1-CG2 3.46Å; L413-V415 VanDerWaalsContact CD1-CG2 3.46Å; V415-L417 HydrophobicContact CG1-CD2 3.84Å; V415-H448 PolarHBondContact N-O 2.97Å; V415-V449 HydrophobicContact CB-CB 4.28Å; V415-V449 HydrophobicContact CB-CG1 3.81Å; V415-V449 HydrophobicContact CG2-CG1 3.98Å; V415-V449 WeakPolarHBondContact O-CA 3.43Å; V415-A450 PolarHBondContact O-N 3.01Å |
| 416 | G | 97.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 123.1 | 172 | 0 | 0 | 0 | 0 | 0 | 110.8 | C209 M211 G212 I213 | C209-G416 PolarHBondContact SG-N 3.33Å; C209-G416 VanDerWaalsContact SG-N 3.42Å; M211-G416 PolarHBondContact O-N 3.36Å; G212-G416 WeakPolarHBondContact CA-O 3.33Å; I213-G416 PolarHBondContact N-O 2.98Å |
| 417 | L | 97.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 125.5 | -178.7 | -58.2 | -178.3 | 0 | 0 | 0 | 110.3 | I213 V415 I422 L429 L432 V449 A450 P451 D452 | I213-L417 HydrophobicContact CB-CD2 3.8Å; I213-L417 HydrophobicContact CD1-CD2 3.89Å; I213-L417 HydrophobicContact CG1-CD2 4.27Å; I213-L417 HydrophobicContact CG2-CD2 4.44Å; V415-L417 HydrophobicContact CG1-CD2 3.84Å; L417-I422 HydrophobicContact CB-CD1 4.13Å; L417-I422 HydrophobicContact CB-CG1 3.98Å; L417-I422 HydrophobicContact CB-CG2 4.21Å; L417-I422 HydrophobicContact CD1-CD1 3.95Å; L417-L429 HydrophobicContact CD1-CD1 3.51Å; L417-L432 HydrophobicContact CD1-CD1 4.42Å; L417-L432 HydrophobicContact CD1-CD2 4.45Å; L417-V449 HydrophobicContact CD1-CB 3.88Å; L417-V449 HydrophobicContact CD1-CG2 4.02Å; L417-V449 HydrophobicContact CG-CB 4.3Å; L417-A450 PolarHBondContact N-O 3.11Å; L417-P451 CarbonylContact O-C 3.51Å; L417-P451 WeakPolarHBondContact O-CA 3.39Å; L417-D452 PolarHBondContact O-N 3.31Å |
| 418 | G | 95.5 | Very high | 93.6 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | -178.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | I213 I215 | I213-G418 PolarHBondContact O-N 3.03Å; I215-G418 PolarHBondContact N-O 3.19Å |
| 419 | G | 93.6 | Very high | 93.8 | Very high | 25 Ų | 25 | 46 Ų | 46 | 26% | 0.258 | 23% | 0.231 | S | C | . | . | S | Bend | trans | 96.4 | 166.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | I215 L421 I422 Q423 | I215-G419 CarbonylContact O-C 3.59Å; I215-G419 VanDerWaalsContact O-C 3.23Å; I215-G419 WeakPolarHBondContact O-CA 3.37Å; G419-L421 VanDerWaalsContact C-N 3.31Å; G419-L421 PolarHBondContact O-N 3.37Å; G419-I422 PolarHBondContact O-N 3.06Å; G419-I422 VanDerWaalsContact O-N 3.13Å; G419-Q423 PolarHBondContact O-N 2.83Å |
| 420 | A | 92 | Very high | 94.3 | Very high | 40 Ų | 40 | 47.6 Ų | 47.6 | 33% | 0.331 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.7 | -31.8 | -168.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | I215 I422 Q423 Y424 | I215-A420 PolarHBondContact O-N 2.83Å; A420-I422 VanDerWaalsContact C-N 3.35Å; A420-Q423 PolarHBondContact O-N 3.39Å; A420-Y424 HydrophobicContact CB-CD2 3.99Å; A420-Y424 HydrophobicContact CB-CE2 4.34Å; A420-Y424 WeakPolarHBondContact O-CB 3.27Å; A420-Y424 WeakPolarHBondContact O-CD2 3.38Å; A420-Y424 PolarHBondContact O-N 3.13Å |
| 421 | L | 95.7 | Very high | 94.8 | Very high | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -72.5 | -31.8 | 178 | -63.5 | -173.6 | 0 | 0 | 0 | 111.6 | I215 T305 A307 L310 T344 G419 H425 Y428 | I215-L421 HydrophobicContact CB-CB 4.5Å; I215-L421 HydrophobicContact CG2-CB 3.99Å; I215-L421 HydrophobicContact CG2-CD1 3.82Å; I215-L421 HydrophobicContact CG2-CG 4.29Å; I215-L421 PolarHBondContact O-N 2.86Å; T305-L421 WeakPolarHBondContact O-CD1 3.36Å; A307-L421 HydrophobicContact CB-CD1 4.46Å; A307-L421 HydrophobicContact CB-CD2 3.96Å; A307-L421 HydrophobicContact CB-CG 4.09Å; L310-L421 HydrophobicContact CD1-CD1 3.61Å; L310-L421 HydrophobicContact CD1-CD2 4.25Å; T344-L421 HydrophobicContact CG2-CD2 3.94Å; G419-L421 VanDerWaalsContact C-N 3.31Å; G419-L421 PolarHBondContact O-N 3.37Å; L421-H425 HydrophobicContact CB-CB 4.48Å; L421-H425 HydrophobicContact CD2-CB 4.38Å; L421-H425 WeakPolarHBondContact O-CB 3.33Å; L421-H425 PolarHBondContact O-N 3.11Å; L421-Y428 HydrophobicContact CB-CD1 4.37Å; L421-Y428 HydrophobicContact CB-CD2 4Å; L421-Y428 HydrophobicContact CB-CE2 4.21Å; L421-Y428 HydrophobicContact CB-CG 4.1Å; L421-Y428 HydrophobicContact CD1-CD2 4Å; L421-Y428 HydrophobicContact CD1-CE2 3.52Å; L421-Y428 HydrophobicContact CG-CD2 4.47Å; L421-Y428 HydrophobicContact CG-CE2 4.42Å |
| 422 | I | 96.3 | Very high | 95.5 | Very high | 20 Ų | 20 | 41.9 Ų | 41.9 | 10% | 0.103 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -74 | -39.7 | 174.1 | -63.5 | -63 | 0 | 0 | 0 | 111 | I215 L417 G419 A420 Y428 L429 P451 | I215-I422 HydrophobicContact CB-CG1 4.27Å; I215-I422 HydrophobicContact CD1-CD1 3.92Å; I215-I422 HydrophobicContact CD1-CG1 4.05Å; I215-I422 HydrophobicContact CG1-CG1 4.35Å; L417-I422 HydrophobicContact CB-CD1 4.13Å; L417-I422 HydrophobicContact CB-CG1 3.98Å; L417-I422 HydrophobicContact CB-CG2 4.21Å; L417-I422 HydrophobicContact CD1-CD1 3.95Å; G419-I422 PolarHBondContact O-N 3.06Å; G419-I422 VanDerWaalsContact O-N 3.13Å; A420-I422 VanDerWaalsContact C-N 3.35Å; I422-Y428 HydrophobicContact CD1-CD1 4.08Å; I422-L429 HydrophobicContact CD1-CB 4.43Å; I422-L429 HydrophobicContact CD1-CD1 4.28Å; I422-P451 HydrophobicContact CG2-CB 3.62Å |
| 423 | Q | 93.1 | Very high | 96.1 | Very high | 119 Ų | 119 | 37.6 Ų | 37.6 | 56% | 0.556 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -75.9 | -38.8 | -175.3 | -170.8 | 174 | 21 | 0 | 0 | 113.8 | G419 A420 | G419-Q423 PolarHBondContact O-N 2.83Å; A420-Q423 PolarHBondContact O-N 3.39Å |
| 424 | Y | 93.2 | Very high | 96.4 | Very high | 152 Ų | 152 | 40.8 Ų | 40.8 | 60% | 0.596 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -119.1 | -15.6 | -167.9 | -54.8 | -68.5 | 0 | 0 | 0 | 114.5 | A420 | A420-Y424 HydrophobicContact CB-CD2 3.99Å; A420-Y424 HydrophobicContact CB-CE2 4.34Å; A420-Y424 WeakPolarHBondContact O-CB 3.27Å; A420-Y424 WeakPolarHBondContact O-CD2 3.38Å; A420-Y424 PolarHBondContact O-N 3.13Å |
| 425 | H | 96.8 | Very high | 96.6 | Very high | 8 Ų | 8 | 41.7 Ų | 41.7 | 4% | 0.037 | 21% | 0.214 | C | C | . | . | trans | -90.5 | 118.1 | -176.3 | -163.6 | -64.9 | 0 | 0 | 0 | 111 | S348 L351 T390 L421 T427 Y428 | S348-H425 PolarHBondContact OG-CD2 3.14Å; L351-H425 VanDerWaalsContact CD1-CE1 3.43Å; L351-H425 WeakPolarHBondContact CD1-CE1 3.33Å; T390-H425 WeakPolarHBondContact CG2-CE1 3.48Å; T390-H425 PolarHBondContact OG1-NE2 2.9Å; L421-H425 HydrophobicContact CB-CB 4.48Å; L421-H425 HydrophobicContact CD2-CB 4.38Å; L421-H425 WeakPolarHBondContact O-CB 3.33Å; L421-H425 PolarHBondContact O-N 3.11Å; H425-T427 VanDerWaalsContact C-N 3.31Å; H425-T427 PolarHBondContact CE1-OG1 3.12Å; H425-T427 PolarHBondContact O-N 3.23Å; H425-T427 VanDerWaalsContact O-N 3.14Å; H425-Y428 PolarHBondContact O-N 2.91Å | ||
| 426 | P | 96 | Very high | 96.6 | Very high | 66 Ų | 66 | 41.7 Ų | 41.7 | 43% | 0.429 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -31.4 | -165 | 26.9 | -39.8 | 0 | 0 | 0 | 114.5 | L351 S352 | L351-P426 HydrophobicContact CB-CG 3.99Å; L351-P426 WeakPolarHBondContact O-CG 3.35Å; S352-P426 VanDerWaalsContact OG-CG 3.26Å; S352-P426 WeakPolarHBondContact OG-CG 3.39Å |
| 427 | T | 96.8 | Very high | 96.6 | Very high | 42 Ų | 42 | 47.6 Ų | 47.6 | 26% | 0.258 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | -6.7 | -172.4 | 55 | 0 | 0 | 0 | 0 | 114.2 | H425 K430 L431 | H425-T427 VanDerWaalsContact C-N 3.31Å; H425-T427 PolarHBondContact CE1-OG1 3.12Å; H425-T427 PolarHBondContact O-N 3.23Å; H425-T427 VanDerWaalsContact O-N 3.14Å; T427-K430 PolarHBondContact O-N 3.44Å; T427-L431 WeakPolarHBondContact O-CG 3.24Å; T427-L431 PolarHBondContact O-N 2.79Å |
| 428 | Y | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.7 | -49.6 | -166.2 | -164.8 | -77.1 | 0 | 0 | 0 | 112 | I215 T390 S393 A394 V397 L421 I422 H425 K430 L431 L432 | I215-Y428 HydrophobicContact CD1-CE1 3.75Å; I215-Y428 HydrophobicContact CG2-CE1 3.92Å; T390-Y428 HydrophobicContact CG2-CD2 3.89Å; S393-Y428 VanDerWaalsContact OG-CE2 3.31Å; S393-Y428 WeakPolarHBondContact OG-CE2 3.45Å; S393-Y428 PolarHBondContact OG-OH 3.37Å; A394-Y428 HydrophobicContact CB-CD1 4.43Å; A394-Y428 HydrophobicContact CB-CE1 4.12Å; A394-Y428 HydrophobicContact CB-CE2 4.22Å; A394-Y428 PolarHBondContact N-OH 3.49Å; V397-Y428 WeakPolarHBondContact CG2-OH 3.31Å; L421-Y428 HydrophobicContact CB-CD1 4.37Å; L421-Y428 HydrophobicContact CB-CD2 4Å; L421-Y428 HydrophobicContact CB-CE2 4.21Å; L421-Y428 HydrophobicContact CB-CG 4.1Å; L421-Y428 HydrophobicContact CD1-CD2 4Å; L421-Y428 HydrophobicContact CD1-CE2 3.52Å; L421-Y428 HydrophobicContact CG-CD2 4.47Å; L421-Y428 HydrophobicContact CG-CE2 4.42Å; I422-Y428 HydrophobicContact CD1-CD1 4.08Å; H425-Y428 PolarHBondContact O-N 2.91Å; Y428-K430 VanDerWaalsContact C-N 3.28Å; Y428-K430 PolarHBondContact O-N 3.19Å; Y428-L431 PolarHBondContact O-N 3.08Å; Y428-L432 HydrophobicContact CE1-CD1 4.14Å; Y428-L432 WeakPolarHBondContact O-CB 3.09Å; Y428-L432 PolarHBondContact O-N 3.19Å |
| 429 | L | 97.8 | Very high | 96.7 | Very high | 38 Ų | 38 | 50.7 Ų | 50.7 | 20% | 0.199 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.8 | -40.6 | 178.5 | 179.2 | 60.1 | 0 | 0 | 0 | 112.1 | L417 I422 K433 V449 P451 | L417-L429 HydrophobicContact CD1-CD1 3.51Å; I422-L429 HydrophobicContact CD1-CB 4.43Å; I422-L429 HydrophobicContact CD1-CD1 4.28Å; L429-K433 HydrophobicContact CD1-CD 4.33Å; L429-K433 HydrophobicContact CD1-CG 4.39Å; L429-K433 HydrophobicContact CG-CD 4.3Å; L429-K433 WeakPolarHBondContact O-CB 3.19Å; L429-K433 WeakPolarHBondContact O-CG 3.48Å; L429-K433 PolarHBondContact O-N 3.42Å; L429-V449 HydrophobicContact CD1-CG2 4.28Å; L429-P451 HydrophobicContact CD2-CG 4.12Å |
| 430 | K | 98 | Very high | 96.8 | Very high | 157 Ų | 157 | 51 Ų | 51 | 68% | 0.683 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -64.5 | -47 | 177.5 | -176.5 | -179.7 | 178.8 | -178.7 | 0 | 111 | T427 Y428 K433 T434 | T427-K430 PolarHBondContact O-N 3.44Å; Y428-K430 VanDerWaalsContact C-N 3.28Å; Y428-K430 PolarHBondContact O-N 3.19Å; K430-K433 PolarHBondContact O-N 3.01Å; K430-T434 PolarHBondContact O-N 3.49Å; K430-T434 PolarHBondContact O-OG1 2.91Å; K430-T434 VanDerWaalsContact O-OG1 3.06Å |
| 431 | L | 98.5 | Very high | 96.9 | Very high | 25 Ų | 25 | 49 Ų | 49 | 13% | 0.131 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.4 | -45.3 | 178.2 | -71.2 | 167.2 | 0 | 0 | 0 | 111.4 | T390 E391 A394 T427 Y428 K433 T434 R435 | T390-L431 HydrophobicContact CG2-CD1 3.77Å; E391-L431 HydrophobicContact CB-CD1 4.42Å; E391-L431 HydrophobicContact CG-CD2 4.36Å; A394-L431 HydrophobicContact CB-CB 3.76Å; T427-L431 WeakPolarHBondContact O-CG 3.24Å; T427-L431 PolarHBondContact O-N 2.79Å; Y428-L431 PolarHBondContact O-N 3.08Å; L431-K433 PolarHBondContact O-N 3.36Å; L431-T434 PolarHBondContact O-N 2.62Å; L431-R435 WeakPolarHBondContact O-CB 3.39Å; L431-R435 VanDerWaalsContact O-CG 3.3Å; L431-R435 WeakPolarHBondContact O-CG 3.42Å; L431-R435 PolarHBondContact O-N 2.93Å |
| 432 | L | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.8 | -49.5 | 176.9 | -176.2 | 160.1 | 0 | 0 | 0 | 110.6 | I215 A394 V397 L417 Y428 T434 R435 L436 V449 | I215-L432 HydrophobicContact CD1-CD1 3.63Å; A394-L432 HydrophobicContact CB-CB 4.25Å; V397-L432 HydrophobicContact CB-CD1 4.27Å; V397-L432 HydrophobicContact CG1-CD1 3.84Å; L417-L432 HydrophobicContact CD1-CD1 4.42Å; L417-L432 HydrophobicContact CD1-CD2 4.45Å; Y428-L432 HydrophobicContact CE1-CD1 4.14Å; Y428-L432 WeakPolarHBondContact O-CB 3.09Å; Y428-L432 PolarHBondContact O-N 3.19Å; L432-T434 PolarHBondContact O-N 3.18Å; L432-R435 PolarHBondContact O-N 3.18Å; L432-L436 HydrophobicContact CD2-CD2 4.33Å; L432-L436 VanDerWaalsContact O-CB 3.26Å; L432-L436 WeakPolarHBondContact O-CB 3.13Å; L432-L436 PolarHBondContact O-N 3.01Å; L432-V449 HydrophobicContact CD2-CG2 4.22Å |
| 433 | K | 98.3 | Very high | 96.6 | Very high | 66 Ų | 66 | 59 Ų | 59 | 29% | 0.287 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -57.1 | -49.5 | 177.9 | -79.2 | 178.9 | 176.3 | -173.7 | 0 | 112.1 | L429 K430 L431 R435 L436 E437 V449 | L429-K433 HydrophobicContact CD1-CD 4.33Å; L429-K433 HydrophobicContact CD1-CG 4.39Å; L429-K433 HydrophobicContact CG-CD 4.3Å; L429-K433 WeakPolarHBondContact O-CB 3.19Å; L429-K433 WeakPolarHBondContact O-CG 3.48Å; L429-K433 PolarHBondContact O-N 3.42Å; K430-K433 PolarHBondContact O-N 3.01Å; L431-K433 PolarHBondContact O-N 3.36Å; K433-R435 VanDerWaalsContact C-N 3.33Å; K433-R435 PolarHBondContact O-N 3.45Å; K433-L436 PolarHBondContact O-N 3.03Å; K433-E437 PolarHBondContact O-N 3.36Å; K433-V449 HydrophobicContact CD-CG2 4Å; K433-V449 WeakPolarHBondContact CE-O 2.97Å; K433-V449 HydrophobicContact CG-CG2 3.41Å; K433-V449 VanDerWaalsContact CG-CG2 3.41Å; K433-V449 PolarHBondContact NZ-O 3.46Å |
| 434 | T | 98.3 | Very high | 96.6 | Very high | 72 Ų | 72 | 54.2 Ų | 54.2 | 44% | 0.442 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -57.6 | -47 | 178.7 | -61.4 | 0 | 0 | 0 | 0 | 111.4 | K430 L431 L432 E437 E438 | K430-T434 PolarHBondContact O-N 3.49Å; K430-T434 PolarHBondContact O-OG1 2.91Å; K430-T434 VanDerWaalsContact O-OG1 3.06Å; L431-T434 PolarHBondContact O-N 2.62Å; L432-T434 PolarHBondContact O-N 3.18Å; T434-E437 PolarHBondContact O-N 2.88Å; T434-E438 PolarHBondContact O-N 3.48Å |
| 435 | R | 98.5 | Very high | 96.6 | Very high | 42 Ų | 42 | 51.8 Ų | 51.8 | 16% | 0.158 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -70.7 | -33.6 | -178.5 | -66.4 | -64.7 | -172.8 | -176.8 | 5.6 | 112.7 | L23 E391 S395 A398 L431 L432 K433 E438 I439 | L23-R435 HydrophobicContact CD1-CB 4.48Å; E391-R435 IonicContact OE1-CZ 4Å; E391-R435 IonicContact OE1-NE 3.07Å; E391-R435 IonicContact OE1-NH2 3.93Å; E391-R435 PolarHBondContact OE1-NH2 2.79Å; S395-R435 WeakPolarHBondContact OG-CG 3.3Å; S395-R435 PolarHBondContact OG-NE 3.24Å; A398-R435 HydrophobicContact CB-CB 3.78Å; L431-R435 WeakPolarHBondContact O-CB 3.39Å; L431-R435 VanDerWaalsContact O-CG 3.3Å; L431-R435 WeakPolarHBondContact O-CG 3.42Å; L431-R435 PolarHBondContact O-N 2.93Å; L432-R435 PolarHBondContact O-N 3.18Å; K433-R435 VanDerWaalsContact C-N 3.33Å; K433-R435 PolarHBondContact O-N 3.45Å; R435-E438 IonicContact NH1-OE1 2.68Å; R435-E438 PolarHBondContact NH1-OE1 3.32Å; R435-E438 IonicContact NH1-OE2 2.81Å; R435-E438 PolarHBondContact NH1-OE2 3.46Å; R435-E438 PolarHBondContact O-N 3.24Å; R435-I439 WeakPolarHBondContact O-CG1 3.43Å |
| 436 | L | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67.5 | -41.3 | 176.2 | -177.4 | 56.2 | 0 | 0 | 0 | 111.6 | A398 T401 A402 M405 L432 K433 E438 I439 V440 W447 V449 | A398-L436 HydrophobicContact CB-CB 4.01Å; A398-L436 WeakPolarHBondContact O-CD1 3.46Å; T401-L436 HydrophobicContact CG2-CD1 4.32Å; T401-L436 HydrophobicContact CG2-CD2 3.94Å; A402-L436 HydrophobicContact CB-CD1 3.85Å; M405-L436 HydrophobicContact SD-CD1 4.09Å; M405-L436 HydrophobicContact SD-CD2 4.36Å; L432-L436 HydrophobicContact CD2-CD2 4.33Å; L432-L436 VanDerWaalsContact O-CB 3.26Å; L432-L436 WeakPolarHBondContact O-CB 3.13Å; L432-L436 PolarHBondContact O-N 3.01Å; K433-L436 PolarHBondContact O-N 3.03Å; L436-E438 PolarHBondContact O-N 2.74Å; L436-I439 PolarHBondContact O-N 3.09Å; L436-I439 VanDerWaalsContact O-N 3.09Å; L436-V440 PolarHBondContact O-N 3.05Å; L436-W447 HydrophobicContact CB-CH2 4.18Å; L436-W447 HydrophobicContact CD2-CE3 3.98Å; L436-W447 HydrophobicContact CD2-CH2 3.96Å; L436-W447 HydrophobicContact CD2-CZ3 3.54Å; L436-W447 HydrophobicContact CG-CH2 3.9Å; L436-W447 HydrophobicContact CG-CZ2 4.37Å; L436-W447 HydrophobicContact CG-CZ3 4.01Å; L436-V449 HydrophobicContact CD2-CG1 3.65Å |
| 437 | E | 97.4 | Very high | 96.4 | Very high | 123 Ų | 123 | 56.1 Ų | 56.1 | 58% | 0.575 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -56 | -35.3 | 175.4 | -170.3 | 71.7 | -140.5 | 0 | 0 | 112.3 | K433 T434 I439 W447 | K433-E437 PolarHBondContact O-N 3.36Å; T434-E437 PolarHBondContact O-N 2.88Å; E437-I439 VanDerWaalsContact C-N 3.28Å; E437-I439 PolarHBondContact O-N 2.96Å; E437-W447 HydrophobicContact CB-CZ2 4.3Å; E437-W447 WeakPolarHBondContact OE2-CZ2 3.47Å |
| 438 | E | 97.2 | Very high | 96.3 | Very high | 66 Ų | 66 | 58.7 Ų | 58.7 | 31% | 0.308 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67.7 | -26.2 | -179.8 | -68.3 | 171 | -160.1 | 0 | 0 | 113.5 | K20 T434 R435 L436 | K20-E438 WeakPolarHBondContact CE-O 3.49Å; K20-E438 PolarHBondContact NZ-O 3.19Å; T434-E438 PolarHBondContact O-N 3.48Å; R435-E438 IonicContact NH1-OE1 2.68Å; R435-E438 PolarHBondContact NH1-OE1 3.32Å; R435-E438 IonicContact NH1-OE2 2.81Å; R435-E438 PolarHBondContact NH1-OE2 3.46Å; R435-E438 PolarHBondContact O-N 3.24Å; L436-E438 PolarHBondContact O-N 2.74Å |
| 439 | I | 97.3 | Very high | 96.2 | Very high | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -133 | 6.5 | -164.6 | 67.1 | -174.9 | 0 | 0 | 0 | 114.8 | K20 L23 E24 R27 A398 A399 A402 R435 L436 E437 | K20-I439 HydrophobicContact CG-CG2 4.05Å; L23-I439 HydrophobicContact CB-CD1 3.78Å; L23-I439 HydrophobicContact CB-CG2 3.97Å; L23-I439 HydrophobicContact CD1-CD1 4.24Å; E24-I439 HydrophobicContact CG-CB 4.43Å; E24-I439 HydrophobicContact CG-CG2 3.97Å; R27-I439 PolarHBondContact NH1-O 3.23Å; A398-I439 HydrophobicContact CB-CD1 4.41Å; A399-I439 HydrophobicContact CB-CD1 4.02Å; A402-I439 HydrophobicContact CB-CD1 4.38Å; A402-I439 HydrophobicContact CB-CG1 4.08Å; R435-I439 WeakPolarHBondContact O-CG1 3.43Å; L436-I439 PolarHBondContact O-N 3.09Å; L436-I439 VanDerWaalsContact O-N 3.09Å; E437-I439 VanDerWaalsContact C-N 3.28Å; E437-I439 PolarHBondContact O-N 2.96Å |
| 440 | V | 96.5 | Very high | 96.1 | Very high | 31 Ų | 31 | 57.2 Ų | 57.2 | 19% | 0.188 | 29% | 0.286 | C | S | . | . | trans | -52 | 136 | 175.9 | 66.7 | 0 | 0 | 0 | 0 | 110 | M405 L436 I444 W447 | M405-V440 HydrophobicContact CE-CG2 3.73Å; L436-V440 PolarHBondContact O-N 3.05Å; V440-I444 HydrophobicContact CG2-CB 4.03Å; V440-I444 HydrophobicContact CG2-CG1 4.29Å; V440-I444 HydrophobicContact CG2-CG2 4.41Å; V440-W447 HydrophobicContact CG2-CG 4.39Å | ||
| 441 | P | 94.8 | Very high | 96 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | trans | -59.6 | 134.4 | 176.8 | -19.8 | 30.8 | 0 | 0 | 0 | 110.4 | A402 M405 K406 E443 I444 | A402-P441 VanDerWaalsContact O-CG 3.28Å; A402-P441 WeakPolarHBondContact O-CG 3.29Å; M405-P441 HydrophobicContact CB-CG 4.36Å; K406-P441 HydrophobicContact CB-CB 4.23Å; K406-P441 HydrophobicContact CB-CG 3.73Å; K406-P441 HydrophobicContact CD-CB 4.29Å; K406-P441 HydrophobicContact CD-CG 4.35Å; K406-P441 HydrophobicContact CG-CB 4.32Å; K406-P441 HydrophobicContact CG-CG 4.33Å; P441-E443 WeakPolarHBondContact CB-OE2 3.49Å; P441-E443 PolarHBondContact O-N 3.24Å; P441-E443 VanDerWaalsContact O-N 3.09Å; P441-I444 HydrophobicContact CB-CG1 4.06Å; P441-I444 HydrophobicContact CG-CG1 4.22Å; P441-I444 WeakPolarHBondContact O-CB 3.42Å; P441-I444 PolarHBondContact O-N 2.8Å | ||
| 442 | P | 93.4 | Very high | 95.7 | Very high | 112 Ų | 112 | 52.2 Ų | 52.2 | 73% | 0.727 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -16.5 | -175 | 26.7 | -35.8 | 0 | 0 | 0 | 113.8 | I444 | P442-I444 VanDerWaalsContact C-N 3.25Š|
| 443 | E | 92.3 | Very high | 95 | Very high | 119 Ų | 119 | 60.4 Ų | 60.4 | 56% | 0.556 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -15.7 | 175.2 | -55.1 | 84.5 | 176.6 | 0 | 0 | 113.1 | P441 | P441-E443 WeakPolarHBondContact CB-OE2 3.49Å; P441-E443 PolarHBondContact O-N 3.24Å; P441-E443 VanDerWaalsContact O-N 3.09Å |
| 444 | I | 93.3 | Very high | 94.5 | Very high | 18 Ų | 18 | 60 Ų | 60 | 9% | 0.092 | 31% | 0.307 | C | S | . | . | trans | -85.8 | 116.6 | 178.5 | -49.5 | -63.4 | 0 | 0 | 0 | 109 | M405 H410 L413 V440 P441 P442 W447 | M405-I444 HydrophobicContact CB-CD1 4.35Å; M405-I444 HydrophobicContact CB-CG1 4.42Å; M405-I444 HydrophobicContact CE-CB 4.39Å; M405-I444 HydrophobicContact CE-CG1 4.15Å; M405-I444 HydrophobicContact CE-CG2 3.81Å; H410-I444 WeakPolarHBondContact O-CD1 3.4Å; L413-I444 HydrophobicContact CD2-CD1 4.01Å; V440-I444 HydrophobicContact CG2-CB 4.03Å; V440-I444 HydrophobicContact CG2-CG1 4.29Å; V440-I444 HydrophobicContact CG2-CG2 4.41Å; P441-I444 HydrophobicContact CB-CG1 4.06Å; P441-I444 HydrophobicContact CG-CG1 4.22Å; P441-I444 WeakPolarHBondContact O-CB 3.42Å; P441-I444 PolarHBondContact O-N 2.8Å; P442-I444 VanDerWaalsContact C-N 3.25Å; I444-W447 HydrophobicContact CG2-CB 3.92Å; I444-W447 HydrophobicContact CG2-CG 4.32Å | ||
| 445 | T | 92.2 | Very high | 94.2 | Very high | 101 Ų | 101 | 57 Ų | 57 | 62% | 0.62 | 29% | 0.292 | S | S | * | . | trans | -91.6 | -29.5 | -176.4 | 62.6 | 0 | 0 | 0 | 0 | 113.2 | D411 | D411-T445 HydrophobicContact CB-CG2 4.49Å; D411-T445 PolarHBondContact O-N 3.07Å; D411-T445 PolarHBondContact O-OG1 2.87Å | ||
| 446 | E | 93.7 | Very high | 94.1 | Very high | 113 Ų | 113 | 55.6 Ų | 55.6 | 53% | 0.528 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 130.4 | -179.6 | -171.7 | 172.5 | -170.3 | 0 | 0 | 109 | D411 R412 L413 | D411-E446 PolarHBondContact O-N 3.12Å; D411-E446 VanDerWaalsContact O-N 3.16Å; R412-E446 VanDerWaalsContact CA-O 3.29Å; R412-E446 WeakPolarHBondContact CA-O 3.22Å; R412-E446 HydrophobicContact CB-CB 4.38Å; R412-E446 WeakPolarHBondContact CD-OE2 3.42Å; R412-E446 HydrophobicContact CG-CB 3.99Å; R412-E446 IonicContact CZ-OE2 3.37Å; R412-E446 IonicContact NE-OE2 3.52Å; R412-E446 IonicContact NH1-OE2 2.68Å; L413-E446 PolarHBondContact N-O 3.4Å |
| 447 | W | 94.9 | Very high | 94 | Very high | 53 Ų | 53 | 55.6 Ų | 55.6 | 20% | 0.201 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 152.6 | 176 | 63.6 | -84.9 | 0 | 0 | 0 | 111.2 | M405 L413 L436 E437 V440 I444 V449 | M405-W447 HydrophobicContact CE-CB 3.55Å; M405-W447 HydrophobicContact CE-CD2 4.24Å; M405-W447 HydrophobicContact CE-CG 3.73Å; L413-W447 VanDerWaalsContact O-CA 3.28Å; L413-W447 WeakPolarHBondContact O-CA 3.18Å; L436-W447 HydrophobicContact CB-CH2 4.18Å; L436-W447 HydrophobicContact CD2-CE3 3.98Å; L436-W447 HydrophobicContact CD2-CH2 3.96Å; L436-W447 HydrophobicContact CD2-CZ3 3.54Å; L436-W447 HydrophobicContact CG-CH2 3.9Å; L436-W447 HydrophobicContact CG-CZ2 4.37Å; L436-W447 HydrophobicContact CG-CZ3 4.01Å; E437-W447 HydrophobicContact CB-CZ2 4.3Å; E437-W447 WeakPolarHBondContact OE2-CZ2 3.47Å; V440-W447 HydrophobicContact CG2-CG 4.39Å; I444-W447 HydrophobicContact CG2-CB 3.92Å; I444-W447 HydrophobicContact CG2-CG 4.32Å; W447-V449 HydrophobicContact CE3-CG1 3.98Å; W447-V449 HydrophobicContact CZ3-CG1 3.89Å; W447-V449 HydrophobicContact CZ3-CG2 4.37Å |
| 448 | H | 95.3 | Very high | 94 | Very high | 95 Ų | 95 | 49.8 Ų | 49.8 | 44% | 0.44 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 141.7 | 172.9 | -169.9 | 70.4 | 0 | 0 | 0 | 110.2 | L413 V414 V415 | L413-H448 PolarHBondContact O-N 3.04Å; L413-H448 VanDerWaalsContact O-N 3.17Å; V414-H448 CarbonylContact C-O 3.54Å; V414-H448 WeakPolarHBondContact CA-O 3.39Å; V414-H448 HydrophobicContact CG1-CB 4.45Å; V414-H448 HydrophobicContact CG2-CB 4.29Å; V415-H448 PolarHBondContact N-O 2.97Å |
| 449 | V | 96.7 | Very high | 94 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 122.6 | 167.3 | -50.8 | 0 | 0 | 0 | 0 | 109.1 | V415 L417 L429 L432 K433 L436 W447 | V415-V449 HydrophobicContact CB-CB 4.28Å; V415-V449 HydrophobicContact CB-CG1 3.81Å; V415-V449 HydrophobicContact CG2-CG1 3.98Å; V415-V449 WeakPolarHBondContact O-CA 3.43Å; L417-V449 HydrophobicContact CD1-CB 3.88Å; L417-V449 HydrophobicContact CD1-CG2 4.02Å; L417-V449 HydrophobicContact CG-CB 4.3Å; L429-V449 HydrophobicContact CD1-CG2 4.28Å; L432-V449 HydrophobicContact CD2-CG2 4.22Å; K433-V449 HydrophobicContact CD-CG2 4Å; K433-V449 WeakPolarHBondContact CE-O 2.97Å; K433-V449 HydrophobicContact CG-CG2 3.41Å; K433-V449 VanDerWaalsContact CG-CG2 3.41Å; K433-V449 PolarHBondContact NZ-O 3.46Å; L436-V449 HydrophobicContact CD2-CG1 3.65Å; W447-V449 HydrophobicContact CE3-CG1 3.98Å; W447-V449 HydrophobicContact CZ3-CG1 3.89Å; W447-V449 HydrophobicContact CZ3-CG2 4.37Å |
| 450 | A | 95.4 | Very high | 94 | Very high | 8 Ų | 8 | 46.6 Ų | 46.6 | 7% | 0.066 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 132.5 | -173 | 0 | 0 | 0 | 0 | 0 | 110.4 | I205 V414 V415 L417 | I205-A450 HydrophobicContact CD1-CB 3.64Å; I205-A450 HydrophobicContact CG1-CB 4.2Å; I205-A450 HydrophobicContact CG2-CB 4.27Å; V414-A450 HydrophobicContact CG1-CB 4.49Å; V415-A450 PolarHBondContact O-N 3.01Å; L417-A450 PolarHBondContact N-O 3.11Å |
| 451 | P | 96.2 | Very high | 94.1 | Very high | 63 Ų | 63 | 45.1 Ų | 45.1 | 41% | 0.409 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 135.8 | 168.5 | 30.3 | -32.9 | 0 | 0 | 0 | 109.7 | L417 I422 L429 | L417-P451 CarbonylContact O-C 3.51Å; L417-P451 WeakPolarHBondContact O-CA 3.39Å; I422-P451 HydrophobicContact CG2-CB 3.62Å; L429-P451 HydrophobicContact CD2-CG 4.12Å |
| 452 | D | 92 | Very high | 94.2 | Very high | 13 Ų | 13 | 45.1 Ų | 45.1 | 7% | 0.07 | 24% | 0.237 | C | C | . | . | trans | -100.7 | 128.4 | 167.8 | 170.4 | 63 | 0 | 0 | 0 | 109.5 | Q197 A200 A201 S204 I205 L417 H454 G455 | Q197-D452 PolarHBondContact NE2-OD2 3.35Å; A200-D452 WeakPolarHBondContact CB-OD2 3.35Å; A201-D452 HydrophobicContact CB-CB 4.22Å; S204-D452 PolarHBondContact OG-OD1 3.48Å; I205-D452 HydrophobicContact CD1-CB 4.36Å; L417-D452 PolarHBondContact O-N 3.31Å; D452-H454 IonicContact OD1-CD2 2.6Å; D452-H454 PolarHBondContact OD2-N 3.02Å; D452-G455 PolarHBondContact OD2-N 3.34Å | ||
| 453 | E | 83 | Confident | 94.4 | Very high | 173 Ų | 173 | 39.8 Ų | 39.8 | 81% | 0.808 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -83.5 | -18.7 | -174.7 | -62.1 | -174.5 | 173.4 | 0 | 0 | 113 | ||
| 454 | H | 88.6 | Confident | 94.7 | Very high | 56 Ų | 56 | 34.1 Ų | 34.1 | 26% | 0.259 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -89.1 | -40.9 | -170.1 | -61.9 | -59.6 | 0 | 0 | 0 | 113.4 | D452 F458 | D452-H454 IonicContact OD1-CD2 2.6Å; D452-H454 PolarHBondContact OD2-N 3.02Å; H454-F458 HydrophobicContact CB-CB 3.62Å; H454-F458 HydrophobicContact CB-CD1 3.6Å; H454-F458 HydrophobicContact CB-CD2 3.99Å; H454-F458 HydrophobicContact CB-CE1 4.13Å; H454-F458 HydrophobicContact CB-CE2 4.49Å; H454-F458 HydrophobicContact CB-CG 3.51Å; H454-F458 AromaticContact CD2-CE1 3.86Å; H454-F458 AromaticContact CG-CD1 3.91Å; H454-F458 AromaticContact CG-CE1 3.92Å; H454-F458 AromaticContact CG-CG 3.96Å; H454-F458 AromaticContact ND1-CE2 3.86Å |
| 455 | G | 91.7 | Very high | 94.9 | Very high | 11 Ų | 11 | 33.3 Ų | 33.3 | 11% | 0.113 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | 78.4 | 179.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | D452 A457 F458 G459 | D452-G455 PolarHBondContact OD2-N 3.34Å; G455-A457 PolarHBondContact O-N 3.36Å; G455-F458 WeakPolarHBondContact O-CB 3.06Å; G455-F458 PolarHBondContact O-N 2.84Å; G455-G459 PolarHBondContact O-N 2.9Å |
| 456 | S | 95.3 | Very high | 95 | Very high | 11 Ų | 11 | 28.7 Ų | 28.7 | 8% | 0.077 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -51.3 | -48 | -175.4 | 45.3 | 0 | 0 | 0 | 0 | 115 | D70 D193 A196 F458 G459 A460 | D70-S456 WeakPolarHBondContact OD2-CB 3.38Å; D70-S456 PolarHBondContact OD2-OG 3.25Å; D193-S456 WeakPolarHBondContact O-CB 3.48Å; A196-S456 WeakPolarHBondContact CB-O 3.45Å; S456-F458 VanDerWaalsContact C-N 3.3Å; S456-F458 PolarHBondContact O-N 2.68Å; S456-G459 PolarHBondContact O-N 3.43Å; S456-A460 PolarHBondContact O-N 3.31Å |
| 457 | A | 96.8 | Very high | 95 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -55.6 | -44.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S68 D70 R77 L79 G455 A460 A461 | S68-A457 WeakPolarHBondContact CB-O 3.43Å; S68-A457 PolarHBondContact OG-O 3.15Å; D70-A457 HydrophobicContact CB-CB 3.94Å; D70-A457 PolarHBondContact OD2-N 3Å; R77-A457 HydrophobicContact CG-CB 4.22Å; L79-A457 HydrophobicContact CB-CB 4.34Å; L79-A457 HydrophobicContact CD1-CB 4.31Å; G455-A457 PolarHBondContact O-N 3.36Å; A457-A460 PolarHBondContact O-N 3.19Å; A457-A461 PolarHBondContact O-N 3.03Å |
| 458 | F | 97.1 | Very high | 94.9 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 0% | 0.004 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.4 | -46.6 | 177.9 | -176.5 | -88.9 | 0 | 0 | 0 | 111.6 | L79 L81 P90 Y92 A200 H454 G455 S456 A460 A461 I462 | L79-F458 HydrophobicContact CD1-CB 4.34Å; L81-F458 HydrophobicContact CD1-CD2 3.64Å; L81-F458 HydrophobicContact CD1-CE2 3.29Å; L81-F458 HydrophobicContact CD1-CZ 4.03Å; L81-F458 HydrophobicContact CD2-CD2 4.3Å; L81-F458 HydrophobicContact CD2-CE2 4.29Å; L81-F458 HydrophobicContact CG-CE2 4.45Å; P90-F458 HydrophobicContact CB-CZ 4.42Å; P90-F458 HydrophobicContact CG-CE2 3.99Å; P90-F458 HydrophobicContact CG-CZ 3.57Å; Y92-F458 HydrophobicContact CD1-CD2 4.17Å; Y92-F458 HydrophobicContact CD1-CE2 4.03Å; Y92-F458 HydrophobicContact CE1-CE2 4.44Å; Y92-F458 HydrophobicContact CG-CD2 4.49Å; A200-F458 HydrophobicContact CB-CD1 4.26Å; H454-F458 HydrophobicContact CB-CB 3.62Å; H454-F458 HydrophobicContact CB-CD1 3.6Å; H454-F458 HydrophobicContact CB-CD2 3.99Å; H454-F458 HydrophobicContact CB-CE1 4.13Å; H454-F458 HydrophobicContact CB-CE2 4.49Å; H454-F458 HydrophobicContact CB-CG 3.51Å; H454-F458 AromaticContact CD2-CE1 3.86Å; H454-F458 AromaticContact CG-CD1 3.91Å; H454-F458 AromaticContact CG-CE1 3.92Å; H454-F458 AromaticContact CG-CG 3.96Å; H454-F458 AromaticContact ND1-CE2 3.86Å; G455-F458 WeakPolarHBondContact O-CB 3.06Å; G455-F458 PolarHBondContact O-N 2.84Å; S456-F458 VanDerWaalsContact C-N 3.3Å; S456-F458 PolarHBondContact O-N 2.68Å; F458-A460 VanDerWaalsContact C-N 3.28Å; F458-A460 PolarHBondContact O-N 3.43Å; F458-A461 PolarHBondContact O-N 3.48Å; F458-I462 HydrophobicContact CD1-CD1 3.55Å; F458-I462 HydrophobicContact CD1-CG1 4.42Å; F458-I462 HydrophobicContact CE1-CD1 3.29Å; F458-I462 HydrophobicContact CE1-CG1 4.34Å; F458-I462 HydrophobicContact CZ-CD1 4.23Å; F458-I462 PolarHBondContact O-N 3.04Å; F458-I462 VanDerWaalsContact O-N 3.15Å |
| 459 | G | 97.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.8 | -32.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | A196 G455 S456 I462 I463 | A196-G459 WeakPolarHBondContact O-CA 3.38Å; G455-G459 PolarHBondContact O-N 2.9Å; S456-G459 PolarHBondContact O-N 3.43Å; G459-I462 WeakPolarHBondContact O-CB 3.39Å; G459-I462 PolarHBondContact O-N 3.11Å; G459-I463 WeakPolarHBondContact O-CG1 3.3Å; G459-I463 PolarHBondContact O-N 3.34Å |
| 460 | A | 98.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -70.2 | -36.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | G136 V138 M191 A196 S456 A457 F458 I462 I463 A464 | G136-A460 WeakPolarHBondContact CA-O 3.38Å; V138-A460 HydrophobicContact CG2-CB 3.28Å; M191-A460 HydrophobicContact CE-CB 4.17Å; M191-A460 HydrophobicContact SD-CB 3.72Å; A196-A460 HydrophobicContact CB-CB 4.03Å; S456-A460 PolarHBondContact O-N 3.31Å; A457-A460 PolarHBondContact O-N 3.19Å; F458-A460 VanDerWaalsContact C-N 3.28Å; F458-A460 PolarHBondContact O-N 3.43Å; A460-I462 VanDerWaalsContact C-N 3.27Å; A460-I462 PolarHBondContact O-N 2.93Å; A460-I463 PolarHBondContact O-N 2.81Å; A460-A464 PolarHBondContact O-N 3.36Å |
| 461 | A | 98.2 | Very high | 94 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.7 | -37.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y66 L79 L81 A457 F458 A464 A465 | Y66-A461 WeakPolarHBondContact CB-O 3.43Å; L79-A461 HydrophobicContact CD2-CB 4.22Å; L81-A461 HydrophobicContact CB-CB 3.7Å; L81-A461 HydrophobicContact CD2-CB 3.66Å; L81-A461 HydrophobicContact CG-CB 4.34Å; A457-A461 PolarHBondContact O-N 3.03Å; F458-A461 PolarHBondContact O-N 3.48Å; A461-A464 WeakPolarHBondContact O-CB 3.35Å; A461-A464 PolarHBondContact O-N 3.37Å; A461-A465 PolarHBondContact O-N 3.24Å; A461-A465 VanDerWaalsContact O-N 3.15Å |
| 462 | I | 97.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65 | -45.6 | 173.2 | -68.4 | 170.9 | 0 | 0 | 0 | 111.7 | P58 L81 L83 H203 F458 G459 A460 A464 A465 V466 | P58-I462 HydrophobicContact CB-CG2 3.44Å; P58-I462 VanDerWaalsContact CB-CG2 3.44Å; P58-I462 HydrophobicContact CG-CG2 3.72Å; L81-I462 HydrophobicContact CD2-CD1 4.46Å; L81-I462 HydrophobicContact CD2-CG1 3.7Å; L83-I462 HydrophobicContact CD1-CG1 4.4Å; L83-I462 HydrophobicContact CD2-CG1 4.15Å; H203-I462 HydrophobicContact CB-CD1 3.69Å; F458-I462 HydrophobicContact CD1-CD1 3.55Å; F458-I462 HydrophobicContact CD1-CG1 4.42Å; F458-I462 HydrophobicContact CE1-CD1 3.29Å; F458-I462 HydrophobicContact CE1-CG1 4.34Å; F458-I462 HydrophobicContact CZ-CD1 4.23Å; F458-I462 PolarHBondContact O-N 3.04Å; F458-I462 VanDerWaalsContact O-N 3.15Å; G459-I462 WeakPolarHBondContact O-CB 3.39Å; G459-I462 PolarHBondContact O-N 3.11Å; A460-I462 VanDerWaalsContact C-N 3.27Å; A460-I462 PolarHBondContact O-N 2.93Å; I462-A464 PolarHBondContact O-N 3.45Å; I462-A465 CarbonylContact O-C 3.57Å; I462-A465 WeakPolarHBondContact O-CA 3.25Å; I462-A465 VanDerWaalsContact O-CB 3.26Å; I462-A465 WeakPolarHBondContact O-CB 3.34Å; I462-A465 PolarHBondContact O-N 3.02Å; I462-V466 HydrophobicContact CG2-CG2 4.3Å; I462-V466 WeakPolarHBondContact O-CG2 3.24Å; I462-V466 PolarHBondContact O-N 2.79Å |
| 463 | I | 97.6 | Very high | 93.6 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.3 | -35.6 | 176.9 | -69.3 | -51.6 | 0 | 0 | 0 | 111.3 | V54 A189 M191 A199 G459 A460 A465 V466 A467 | V54-I463 HydrophobicContact CG1-CD1 3.59Å; V54-I463 HydrophobicContact CG1-CG1 4.32Å; V54-I463 HydrophobicContact CG1-CG2 4.13Å; V54-I463 HydrophobicContact CG2-CG2 4Å; A189-I463 HydrophobicContact CB-CG2 3.79Å; M191-I463 HydrophobicContact CE-CB 4.06Å; M191-I463 HydrophobicContact CE-CG2 3.72Å; M191-I463 HydrophobicContact SD-CB 3.76Å; M191-I463 HydrophobicContact SD-CG1 3.96Å; M191-I463 HydrophobicContact SD-CG2 3.83Å; A199-I463 HydrophobicContact CB-CD1 3.52Å; A199-I463 HydrophobicContact CB-CG1 3.6Å; G459-I463 WeakPolarHBondContact O-CG1 3.3Å; G459-I463 PolarHBondContact O-N 3.34Å; A460-I463 PolarHBondContact O-N 2.81Å; I463-A465 VanDerWaalsContact C-N 3.29Å; I463-A465 PolarHBondContact O-N 3.42Å; I463-V466 PolarHBondContact O-N 2.68Å; I463-A467 VanDerWaalsContact O-CB 3.31Å; I463-A467 WeakPolarHBondContact O-CB 3.38Å; I463-A467 PolarHBondContact O-N 2.81Å |
| 464 | A | 97.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.4 | -38.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y66 N188 A460 A461 I462 E468 | Y66-A464 HydrophobicContact CD1-CB 4.15Å; N188-A464 HydrophobicContact CB-CB 4.41Å; N188-A464 PolarHBondContact ND2-O 2.79Å; A460-A464 PolarHBondContact O-N 3.36Å; A461-A464 WeakPolarHBondContact O-CB 3.35Å; A461-A464 PolarHBondContact O-N 3.37Å; I462-A464 PolarHBondContact O-N 3.45Å; A464-E468 WeakPolarHBondContact O-CB 3.42Å; A464-E468 PolarHBondContact O-N 3.41Å; A464-E468 VanDerWaalsContact O-N 3.13Å |
| 465 | A | 96.8 | Very high | 94.5 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.008 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -66.8 | -45.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | E62 Y66 L83 A461 I462 I463 A467 E468 K469 | E62-A465 HydrophobicContact CB-CB 4.04Å; E62-A465 HydrophobicContact CG-CB 4.21Å; Y66-A465 HydrophobicContact CD1-CB 4.18Å; Y66-A465 HydrophobicContact CD2-CB 3.62Å; Y66-A465 HydrophobicContact CE1-CB 3.93Å; Y66-A465 HydrophobicContact CE2-CB 3.3Å; Y66-A465 HydrophobicContact CG-CB 4.05Å; Y66-A465 VanDerWaalsContact CZ-CB 3.49Å; L83-A465 HydrophobicContact CD1-CB 3.58Å; A461-A465 PolarHBondContact O-N 3.24Å; A461-A465 VanDerWaalsContact O-N 3.15Å; I462-A465 CarbonylContact O-C 3.57Å; I462-A465 WeakPolarHBondContact O-CA 3.25Å; I462-A465 VanDerWaalsContact O-CB 3.26Å; I462-A465 WeakPolarHBondContact O-CB 3.34Å; I462-A465 PolarHBondContact O-N 3.02Å; I463-A465 VanDerWaalsContact C-N 3.29Å; I463-A465 PolarHBondContact O-N 3.42Å; A465-A467 VanDerWaalsContact C-N 3.34Å; A465-A467 PolarHBondContact O-N 2.89Å; A465-E468 PolarHBondContact O-N 2.93Å; A465-K469 WeakPolarHBondContact O-CB 3.35Å; A465-K469 PolarHBondContact O-N 3.34Å |
| 466 | V | 94.6 | Very high | 94.7 | Very high | 3 Ų | 3 | 27.2 Ų | 27.2 | 2% | 0.018 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.8 | -47 | 176 | 173.1 | 0 | 0 | 0 | 0 | 110.5 | A56 P58 E62 I462 I463 E468 K469 M470 | A56-V466 HydrophobicContact CB-CG1 4.14Å; P58-V466 HydrophobicContact CB-CG2 4.37Å; E62-V466 HydrophobicContact CG-CG2 3.97Å; I462-V466 HydrophobicContact CG2-CG2 4.3Å; I462-V466 WeakPolarHBondContact O-CG2 3.24Å; I462-V466 PolarHBondContact O-N 2.79Å; I463-V466 PolarHBondContact O-N 2.68Å; V466-E468 VanDerWaalsContact C-N 3.32Å; V466-E468 PolarHBondContact O-N 2.94Å; V466-K469 PolarHBondContact O-N 3.21Å; V466-M470 HydrophobicContact CG1-CG 4.46Å; V466-M470 HydrophobicContact CG1-SD 3.85Å; V466-M470 WeakPolarHBondContact O-CB 3.47Å; V466-M470 VanDerWaalsContact O-CG 3.29Å; V466-M470 WeakPolarHBondContact O-CG 3.46Å; V466-M470 PolarHBondContact O-N 3.48Å |
| 467 | A | 93.9 | Very high | 94.6 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.008 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.9 | -40.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | I148 I463 A465 M470 H471 L472 | I148-A467 HydrophobicContact CD1-CB 3.64Å; I463-A467 VanDerWaalsContact O-CB 3.31Å; I463-A467 WeakPolarHBondContact O-CB 3.38Å; I463-A467 PolarHBondContact O-N 2.81Å; A465-A467 VanDerWaalsContact C-N 3.34Å; A465-A467 PolarHBondContact O-N 2.89Å; A467-M470 PolarHBondContact O-N 2.93Å; A467-H471 PolarHBondContact O-N 3.15Å; A467-L472 HydrophobicContact CB-CD1 4.19Å; A467-L472 PolarHBondContact O-N 3.42Å; A467-L472 VanDerWaalsContact O-N 3.11Å |
| 468 | E | 93.7 | Very high | 94.5 | Very high | 79 Ų | 79 | 30.1 Ų | 30.1 | 37% | 0.369 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -68.4 | -45.9 | 176.8 | -170.5 | 173.5 | 97.8 | 0 | 0 | 112.4 | Y66 S134 N188 A464 A465 V466 M470 H471 | Y66-E468 HydrophobicContact CE1-CB 4.37Å; Y66-E468 PolarHBondContact OH-OE1 3.41Å; S134-E468 WeakPolarHBondContact CB-OE2 3.37Å; S134-E468 PolarHBondContact OG-OE2 3.29Å; N188-E468 PolarHBondContact ND2-N 3.36Å; A464-E468 WeakPolarHBondContact O-CB 3.42Å; A464-E468 PolarHBondContact O-N 3.41Å; A464-E468 VanDerWaalsContact O-N 3.13Å; A465-E468 PolarHBondContact O-N 2.93Å; V466-E468 VanDerWaalsContact C-N 3.32Å; V466-E468 PolarHBondContact O-N 2.94Å; E468-M470 PolarHBondContact O-N 3.04Å; E468-H471 PolarHBondContact O-N 3.5Å; E468-H471 PolarHBondContact O-ND1 3.01Å |
| 469 | K | 90.8 | Very high | 94.3 | Very high | 71 Ų | 71 | 32.2 Ų | 32.2 | 31% | 0.309 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -58.6 | -33.8 | 175.3 | -178.5 | -176.7 | 171.5 | -162 | 0 | 111.9 | D59 T61 A465 V466 | D59-K469 VanDerWaalsContact CG-NZ 3.29Å; D59-K469 IonicContact OD1-NZ 2.65Å; D59-K469 PolarHBondContact OD1-NZ 2.95Å; D59-K469 IonicContact OD2-NZ 3.85Å; D59-K469 PolarHBondContact OD2-NZ 2.99Å; T61-K469 PolarHBondContact OG1-NZ 2.8Å; A465-K469 WeakPolarHBondContact O-CB 3.35Å; A465-K469 PolarHBondContact O-N 3.34Å; V466-K469 PolarHBondContact O-N 3.21Å |
| 470 | M | 88.6 | Confident | 94.1 | Very high | 59 Ų | 59 | 34.7 Ų | 34.7 | 29% | 0.291 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -2.3 | 177 | -68.2 | -176.2 | 70.8 | 0 | 0 | 114.3 | P55 A56 F242 V466 A467 E468 L472 | P55-M470 HydrophobicContact CB-CE 3.96Å; P55-M470 HydrophobicContact CB-SD 4.5Å; P55-M470 HydrophobicContact CG-CE 3.63Å; P55-M470 HydrophobicContact CG-SD 3.69Å; A56-M470 HydrophobicContact CB-SD 3.91Å; F242-M470 HydrophobicContact CD1-CE 3.59Å; F242-M470 HydrophobicContact CE1-CE 4.01Å; F242-M470 HydrophobicContact CG-CE 4.38Å; V466-M470 HydrophobicContact CG1-CG 4.46Å; V466-M470 HydrophobicContact CG1-SD 3.85Å; V466-M470 WeakPolarHBondContact O-CB 3.47Å; V466-M470 VanDerWaalsContact O-CG 3.29Å; V466-M470 WeakPolarHBondContact O-CG 3.46Å; V466-M470 PolarHBondContact O-N 3.48Å; A467-M470 PolarHBondContact O-N 2.93Å; E468-M470 PolarHBondContact O-N 3.04Å; M470-L472 VanDerWaalsContact C-N 3.35Å; M470-L472 HydrophobicContact CB-CD1 4.2Å; M470-L472 HydrophobicContact CB-CD2 4.14Å; M470-L472 HydrophobicContact CB-CG 3.83Å; M470-L472 PolarHBondContact O-N 3.38Å |
| 471 | H | 88.7 | Confident | 93.7 | Very high | 171 Ų | 171 | 37.6 Ų | 37.6 | 79% | 0.792 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56 | 42.3 | -179.3 | -53.8 | -47.6 | 0 | 0 | 0 | 114.3 | A467 E468 | A467-H471 PolarHBondContact O-N 3.15Å; E468-H471 PolarHBondContact O-N 3.5Å; E468-H471 PolarHBondContact O-ND1 3.01Å |
| 472 | L | 86.6 | Confident | 93.3 | Very high | 65 Ų | 65 | 41 Ų | 41 | 34% | 0.34 | 20% | 0.195 | S | C | . | . | trans | -76.9 | 0 | -179.4 | -56.3 | 178.7 | 0 | 0 | 0 | 113.7 | P55 I148 R149 F242 A467 M470 | P55-L472 HydrophobicContact CG-CD1 3.64Å; I148-L472 HydrophobicContact CD1-CD1 3.66Å; I148-L472 HydrophobicContact CG2-CB 4.12Å; I148-L472 HydrophobicContact CG2-CD1 4.43Å; R149-L472 VanDerWaalsContact NH1-C 3.33Å; R149-L472 PolarHBondContact NH1-O 3.13Å; R149-L472 PolarHBondContact NH1-OXT 3.21Å; R149-L472 VanDerWaalsContact NH1-OXT 3.13Å; R149-L472 PolarHBondContact NH2-O 2.87Å; F242-L472 HydrophobicContact CE1-CD2 3.52Å; F242-L472 HydrophobicContact CZ-CD2 3.49Å; F242-L472 VanDerWaalsContact CZ-CD2 3.49Å; A467-L472 HydrophobicContact CB-CD1 4.19Å; A467-L472 PolarHBondContact O-N 3.42Å; A467-L472 VanDerWaalsContact O-N 3.11Å; M470-L472 VanDerWaalsContact C-N 3.35Å; M470-L472 HydrophobicContact CB-CD1 4.2Å; M470-L472 HydrophobicContact CB-CD2 4.14Å; M470-L472 HydrophobicContact CB-CG 3.83Å; M470-L472 PolarHBondContact O-N 3.38Å |
Retrieved 472 of 472 residues in 1420.2 ms
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