| 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 | 60.5 | Low | 81.1 | Confident | 146 Ų | 146 | 81.4 Ų | 81.4 | 72% | 0.719 | 41% | 0.413 | S | S | * | . | 0 | 130.8 | 0 | -170.6 | 177.3 | -80.7 | 0 | 0 | 108.1 | Y367 C377 | M1-Y367 HydrophobicContact CE-CD1 3.67Å; M1-Y367 HydrophobicContact CE-CE1 3.75Å; M1-Y367 HydrophobicContact SD-CD1 3.67Å; M1-Y367 HydrophobicContact SD-CE1 3.64Å; M1-C377 HydrophobicContact CG-CB 3.93Å; M1-C377 HydrophobicContact SD-CB 3.37Å; M1-C377 WeakPolarHBondContact SD-CB 3.34Å | |||
| 2 | R | 73 | Confident | 82.3 | Confident | 102 Ų | 102 | 74.6 Ų | 74.6 | 39% | 0.385 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 145.5 | 177.5 | -179.7 | -179.2 | 179.3 | -174.1 | 0.1 | 109.6 | L376 C377 L420 N422 V425 | R2-L376 HydrophobicContact CB-CB 4.13Å; R2-L376 CarbonylContact O-C 3.37Å; R2-L376 WeakPolarHBondContact O-CA 3.38Å; R2-C377 PolarHBondContact O-N 2.79Å; R2-L420 VanDerWaalsContact CZ-CD2 3.5Å; R2-N422 PolarHBondContact NH1-O 3.28Å; R2-V425 HydrophobicContact CB-CG2 4Å |
| 3 | S | 77.2 | Confident | 83.1 | Confident | 60 Ų | 60 | 76.2 Ų | 76.2 | 42% | 0.42 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 142.8 | 170.3 | -168.7 | 0 | 0 | 0 | 0 | 110.9 | C377 P379 | S3-C377 CarbonylContact C-O 3.59Å; S3-C377 VanDerWaalsContact CA-O 3.24Å; S3-C377 WeakPolarHBondContact CA-O 3.47Å; S3-P379 WeakPolarHBondContact OG-CD 3.37Å |
| 4 | L | 78.6 | Confident | 83.6 | Confident | 14 Ų | 14 | 76.5 Ų | 76.5 | 7% | 0.073 | 39% | 0.385 | C | S | . | . | trans | -91.6 | 133.5 | 166.5 | 178.2 | 71.1 | 0 | 0 | 0 | 109.2 | V7 C377 F378 L418 L420 | L4-V7 HydrophobicContact CD1-CG1 4.13Å; L4-V7 HydrophobicContact CD2-CG1 3.56Å; L4-V7 HydrophobicContact CG-CG1 3.68Å; L4-C377 PolarHBondContact N-O 3.49Å; L4-F378 HydrophobicContact CB-CD2 3.9Å; L4-F378 HydrophobicContact CD2-CD2 3.99Å; L4-F378 HydrophobicContact CG-CD2 4.06Å; L4-F378 WeakPolarHBondContact O-CD2 3.38Å; L4-L418 HydrophobicContact CD2-CB 4.22Å; L4-L418 HydrophobicContact CD2-CD2 3.74Å; L4-L420 HydrophobicContact CD1-CD1 4.21Å; L4-L420 HydrophobicContact CD1-CD2 4.22Å; L4-L420 HydrophobicContact CD1-CG 4.16Å; L4-L420 HydrophobicContact CD2-CD1 4.42Å | ||
| 5 | S | 70.4 | Confident | 84.3 | Confident | 96 Ų | 96 | 71.5 Ų | 71.5 | 67% | 0.671 | 36% | 0.36 | S | S | * | . | trans | -139.3 | -15.6 | -174.3 | -54.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 6 | L | 73.9 | Confident | 85 | Confident | 158 Ų | 158 | 68.9 Ų | 68.9 | 83% | 0.827 | 35% | 0.345 | S | S | * | . | trans | -107.4 | 84 | -178.8 | -64.8 | 174.8 | 0 | 0 | 0 | 109.1 | ||||
| 7 | V | 85.1 | Confident | 85.6 | Confident | 32 Ų | 32 | 64.8 Ų | 64.8 | 19% | 0.194 | 32% | 0.324 | C | S | . | . | trans | -137.7 | 150.6 | -177.5 | -63.9 | 0 | 0 | 0 | 0 | 109.8 | L4 F378 Y415 L418 | L4-V7 HydrophobicContact CD1-CG1 4.13Å; L4-V7 HydrophobicContact CD2-CG1 3.56Å; L4-V7 HydrophobicContact CG-CG1 3.68Å; V7-F378 HydrophobicContact CG1-CE2 4.31Å; V7-F378 HydrophobicContact CG2-CE2 3.58Å; V7-F378 HydrophobicContact CG2-CZ 3.85Å; V7-Y415 HydrophobicContact CB-CD1 4.38Å; V7-Y415 HydrophobicContact CG2-CD1 3.54Å; V7-Y415 HydrophobicContact CG2-CE1 4.1Å; V7-L418 HydrophobicContact CB-CD2 4.26Å; V7-L418 HydrophobicContact CG1-CD2 3.55Å | ||
| 8 | D | 91.9 | Very high | 86 | Confident | 74 Ų | 74 | 64.3 Ų | 64.3 | 40% | 0.396 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 165 | 171.5 | -67.9 | -41.4 | 0 | 0 | 0 | 110.3 | Y415 Y416 N417 | D8-Y415 CarbonylContact O-C 3.56Å; D8-Y415 VanDerWaalsContact O-CA 3.3Å; D8-Y415 WeakPolarHBondContact O-CA 3.22Å; D8-Y416 HydrophobicContact CB-CD1 3.93Å; D8-Y416 HydrophobicContact CB-CD2 4.07Å; D8-Y416 HydrophobicContact CB-CE1 3.4Å; D8-Y416 HydrophobicContact CB-CE2 3.54Å; D8-Y416 HydrophobicContact CB-CG 4.23Å; D8-Y416 WeakPolarHBondContact CB-OH 3.29Å; D8-Y416 PolarHBondContact N-O 3.12Å; D8-Y416 VanDerWaalsContact N-O 3.08Å; D8-Y416 PolarHBondContact O-N 3.32Å; D8-N417 PolarHBondContact OD2-ND2 2.8Å |
| 9 | R | 93.2 | Very high | 86.4 | Confident | 146 Ų | 146 | 64.1 Ų | 64.1 | 55% | 0.551 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 145.6 | 176.4 | 69.8 | -179.1 | -177.9 | -174.2 | -1.3 | 113.7 | I414 Y415 | R9-I414 CarbonylContact C-O 3.59Å; R9-I414 WeakPolarHBondContact CA-O 3.34Å; R9-Y415 HydrophobicContact CB-CD1 3.91Å; R9-Y415 HydrophobicContact CB-CE1 3.94Å; R9-Y415 HydrophobicContact CB-CG 4.35Å |
| 10 | V | 94.7 | Very high | 86.9 | Confident | 9 Ų | 9 | 61.1 Ų | 61.1 | 6% | 0.055 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 139.5 | 163.3 | -173.7 | 0 | 0 | 0 | 0 | 108 | F12 R67 I394 I414 Y416 | V10-F12 HydrophobicContact CB-CE2 4.31Å; V10-F12 HydrophobicContact CG1-CD2 4.14Å; V10-F12 HydrophobicContact CG1-CE2 3.47Å; V10-F12 VanDerWaalsContact CG1-CE2 3.47Å; V10-F12 HydrophobicContact CG1-CZ 3.9Å; V10-R67 HydrophobicContact CG1-CB 4.31Å; V10-R67 HydrophobicContact CG1-CG 4.49Å; V10-R67 HydrophobicContact CG2-CG 4.13Å; V10-I394 HydrophobicContact CG2-CD1 4.08Å; V10-I414 HydrophobicContact CB-CB 4.32Å; V10-I414 PolarHBondContact N-O 3.45Å; V10-I414 PolarHBondContact O-N 2.83Å; V10-Y416 HydrophobicContact CG2-CD1 4.1Å; V10-Y416 HydrophobicContact CG2-CE1 3.7Å |
| 11 | F | 93.8 | Very high | 87.4 | Confident | 58 Ų | 58 | 58.4 Ų | 58.4 | 25% | 0.254 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 125.5 | -177.3 | 172.3 | -101.8 | 0 | 0 | 0 | 110.1 | K13 N411 L413 | F11-K13 HydrophobicContact CD1-CB 4.48Å; F11-K13 HydrophobicContact CE1-CB 3.66Å; F11-K13 HydrophobicContact CE1-CG 4.05Å; F11-K13 HydrophobicContact CZ-CB 4.11Å; F11-K13 HydrophobicContact CZ-CG 4.16Å; F11-N411 HydrophobicContact CD2-CB 4.15Å; F11-N411 HydrophobicContact CE2-CB 3.35Å; F11-N411 HydrophobicContact CZ-CB 3.89Å; F11-N411 VanDerWaalsContact CZ-CG 3.4Å; F11-N411 VanDerWaalsContact CZ-OD1 3.3Å; F11-N411 WeakPolarHBondContact CZ-OD1 3.16Å; F11-L413 HydrophobicContact CB-CD2 4.36Å; F11-L413 HydrophobicContact CD2-CD2 3.58Å; F11-L413 HydrophobicContact CD2-CG 4.41Å; F11-L413 HydrophobicContact CE2-CD2 4.41Å; F11-L413 HydrophobicContact CG-CD2 4.45Å |
| 12 | F | 95.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 110.3 | 173.9 | -68.1 | -87.8 | 0 | 0 | 0 | 109 | V10 I15 L64 V69 N411 T412 I414 | V10-F12 HydrophobicContact CB-CE2 4.31Å; V10-F12 HydrophobicContact CG1-CD2 4.14Å; V10-F12 HydrophobicContact CG1-CE2 3.47Å; V10-F12 VanDerWaalsContact CG1-CE2 3.47Å; V10-F12 HydrophobicContact CG1-CZ 3.9Å; F12-I15 HydrophobicContact CB-CB 4.15Å; F12-I15 HydrophobicContact CB-CD1 4.09Å; F12-I15 HydrophobicContact CD1-CD1 4.08Å; F12-L64 HydrophobicContact CD1-CD2 3.85Å; F12-L64 HydrophobicContact CD1-CG 4.34Å; F12-L64 HydrophobicContact CD2-CD2 3.66Å; F12-L64 HydrophobicContact CE1-CD2 3.84Å; F12-L64 HydrophobicContact CE1-CG 4.04Å; F12-L64 HydrophobicContact CE2-CD2 3.65Å; F12-L64 HydrophobicContact CG-CD2 3.75Å; F12-L64 HydrophobicContact CZ-CB 4.5Å; F12-L64 HydrophobicContact CZ-CD2 3.73Å; F12-L64 HydrophobicContact CZ-CG 4.12Å; F12-V69 HydrophobicContact CD1-CG2 4.38Å; F12-N411 WeakPolarHBondContact O-CA 3.01Å; F12-T412 PolarHBondContact N-O 2.93Å; F12-T412 PolarHBondContact O-N 3.41Å; F12-I414 HydrophobicContact CD2-CD1 4.26Å; F12-I414 HydrophobicContact CE2-CD1 3.72Å; F12-I414 HydrophobicContact CE2-CG1 4.38Å |
| 13 | K | 92.8 | Very high | 90.4 | Very high | 95 Ų | 95 | 47.2 Ų | 47.2 | 41% | 0.413 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 140.4 | 178.3 | -161.4 | -168.6 | 168.2 | -173.8 | 0 | 110.8 | F11 I15 N411 | F11-K13 HydrophobicContact CD1-CB 4.48Å; F11-K13 HydrophobicContact CE1-CB 3.66Å; F11-K13 HydrophobicContact CE1-CG 4.05Å; F11-K13 HydrophobicContact CZ-CB 4.11Å; F11-K13 HydrophobicContact CZ-CG 4.16Å; K13-I15 PolarHBondContact O-N 2.82Å; K13-N411 WeakPolarHBondContact CA-OD1 3.45Å |
| 14 | D | 90.2 | Very high | 91.4 | Very high | 81 Ų | 81 | 45.1 Ų | 45.1 | 43% | 0.433 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | 11.9 | 174.1 | -55.1 | -50 | 0 | 0 | 0 | 114.2 | R410 N411 | D14-R410 CarbonylContact C-O 3.5Å; D14-R410 WeakPolarHBondContact CA-O 3.09Å; D14-R410 PolarHBondContact N-O 3.02Å; D14-N411 PolarHBondContact N-OD1 3.42Å |
| 15 | I | 93.9 | Very high | 92.4 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | trans | -115.1 | 114.2 | 173.7 | -63.1 | 161.3 | 0 | 0 | 0 | 106.5 | F12 K13 I38 L64 V69 I127 N411 T412 | F12-I15 HydrophobicContact CB-CB 4.15Å; F12-I15 HydrophobicContact CB-CD1 4.09Å; F12-I15 HydrophobicContact CD1-CD1 4.08Å; K13-I15 PolarHBondContact O-N 2.82Å; I15-I38 HydrophobicContact CG2-CD1 3.82Å; I15-L64 HydrophobicContact CG2-CD1 4.4Å; I15-V69 HydrophobicContact CD1-CG2 3.21Å; I15-V69 HydrophobicContact CG1-CG2 4.49Å; I15-I127 HydrophobicContact CD1-CD1 4.46Å; I15-I127 HydrophobicContact CD1-CG2 4.21Å; I15-N411 CarbonylContact O-C 3.53Å; I15-T412 VanDerWaalsContact O-CB 3.31Å; I15-T412 WeakPolarHBondContact O-CB 3.48Å; I15-T412 PolarHBondContact O-N 3.1Å; I15-T412 PolarHBondContact O-OG1 3.35Å | ||
| 16 | Y | 94.4 | Very high | 93.7 | Very high | 29 Ų | 29 | 45 Ų | 45 | 11% | 0.114 | 22% | 0.222 | C | C | . | . | trans | -162.2 | 168.9 | -171.1 | 75.1 | -78.4 | 0 | 0 | 0 | 110.6 | S40 D42 S406 R410 | Y16-S40 WeakPolarHBondContact O-CB 3.41Å; Y16-D42 VanDerWaalsContact OH-CB 3.31Å; Y16-D42 WeakPolarHBondContact OH-CB 3.42Å; Y16-D42 PolarHBondContact OH-OD2 2.9Å; Y16-S406 VanDerWaalsContact CA-OG 3.26Å; Y16-S406 WeakPolarHBondContact CA-OG 3.19Å; Y16-S406 VanDerWaalsContact CB-OG 3.28Å; Y16-S406 WeakPolarHBondContact CB-OG 3.36Å; Y16-R410 HydrophobicContact CD1-CB 3.55Å; Y16-R410 HydrophobicContact CD1-CG 4.13Å; Y16-R410 HydrophobicContact CD2-CB 4.36Å; Y16-R410 HydrophobicContact CD2-CG 4.38Å; Y16-R410 HydrophobicContact CE1-CB 3.58Å; Y16-R410 HydrophobicContact CE1-CG 3.71Å; Y16-R410 HydrophobicContact CE2-CB 4.36Å; Y16-R410 HydrophobicContact CE2-CG 3.96Å; Y16-R410 HydrophobicContact CG-CB 3.95Å; Y16-R410 HydrophobicContact CG-CG 4.44Å; Y16-R410 PolarHBondContact OH-NE 2.88Å | ||
| 17 | T | 95.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -146.5 | 155.6 | 174 | -166.9 | 0 | 0 | 0 | 0 | 110.3 | D19 N22 L23 I38 G39 Q385 A386 S406 | T17-D19 WeakPolarHBondContact CG2-O 3.41Å; T17-N22 HydrophobicContact CG2-CB 4.04Å; T17-N22 WeakPolarHBondContact OG1-CB 3.21Å; T17-N22 PolarHBondContact OG1-ND2 2.95Å; T17-L23 HydrophobicContact CG2-CD1 4.29Å; T17-L23 HydrophobicContact CG2-CD2 3.68Å; T17-L23 HydrophobicContact CG2-CG 3.8Å; T17-I38 HydrophobicContact CG2-CG2 4.24Å; T17-G39 WeakPolarHBondContact CB-O 3.44Å; T17-G39 PolarHBondContact OG1-O 2.67Å; T17-Q385 WeakPolarHBondContact O-CG 3.46Å; T17-Q385 PolarHBondContact O-NE2 3.24Å; T17-A386 HydrophobicContact CG2-CB 3.56Å; T17-S406 PolarHBondContact N-OG 3.19Å; T17-S406 WeakPolarHBondContact O-CB 3.37Å; T17-S406 PolarHBondContact O-OG 3.14Å; T17-S406 VanDerWaalsContact O-OG 3.12Å | ||
| 18 | S | 92.7 | Very high | 95.3 | Very high | 56 Ų | 56 | 37.4 Ų | 37.4 | 39% | 0.392 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -94.3 | -11.2 | -176.2 | 50.7 | 0 | 0 | 0 | 0 | 113.9 | ||
| 19 | D | 94 | Very high | 95.5 | Very high | 59 Ų | 59 | 35.5 Ų | 35.5 | 32% | 0.316 | 17% | 0.171 | S | C | . | . | trans | -136.2 | 143.9 | -179.6 | -161 | -40.3 | 0 | 0 | 0 | 110.4 | T17 C21 N22 A386 | T17-D19 WeakPolarHBondContact CG2-O 3.41Å; D19-C21 PolarHBondContact O-N 3.07Å; D19-C21 PolarHBondContact OD1-N 3.47Å; D19-C21 PolarHBondContact OD1-SG 3.15Å; D19-N22 WeakPolarHBondContact O-CB 3.24Å; D19-N22 PolarHBondContact O-N 3.4Å; D19-A386 VanDerWaalsContact C-CB 3.48Å; D19-A386 WeakPolarHBondContact O-CB 3.38Å | ||
| 20 | S | 97.2 | Very high | 95.5 | Very high | 5 Ų | 5 | 32.4 Ų | 32.4 | 4% | 0.035 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -70.5 | -14.1 | 174.5 | -50.9 | 0 | 0 | 0 | 0 | 112.3 | N22 L23 R220 F387 | S20-N22 PolarHBondContact O-N 3.23Å; S20-L23 PolarHBondContact O-N 3.07Å; S20-R220 PolarHBondContact O-NH2 2.97Å; S20-R220 VanDerWaalsContact O-NH2 3.13Å; S20-F387 WeakPolarHBondContact CB-O 3.21Å; S20-F387 PolarHBondContact OG-N 2.9Å; S20-F387 PolarHBondContact OG-O 3.23Å |
| 21 | C | 97.4 | Very high | 95.5 | Very high | 4 Ų | 4 | 35.8 Ų | 35.8 | 3% | 0.027 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -69.1 | -17.5 | 172.7 | -51.3 | 0 | 0 | 0 | 0 | 112.5 | D19 L23 C81 V82 K159 R220 | D19-C21 PolarHBondContact O-N 3.07Å; D19-C21 PolarHBondContact OD1-N 3.47Å; D19-C21 PolarHBondContact OD1-SG 3.15Å; C21-L23 VanDerWaalsContact C-N 3.33Å; C21-C81 HydrophobicContact CB-CB 3.8Å; C21-C81 VanDerWaalsContact O-CA 3.23Å; C21-C81 WeakPolarHBondContact O-CA 3.42Å; C21-V82 PolarHBondContact O-N 3.01Å; C21-K159 WeakPolarHBondContact CB-O 3.43Å; C21-K159 PolarHBondContact SG-O 3.32Å; C21-K159 VanDerWaalsContact SG-O 3.39Å; C21-R220 PolarHBondContact SG-NE 3.07Å; C21-R220 PolarHBondContact SG-NH1 3Å; C21-R220 PolarHBondContact SG-NH2 3.26Å; C21-R220 VanDerWaalsContact SG-NH2 3.42Å |
| 22 | N | 97.7 | Very high | 95.7 | Very high | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.016 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -91 | 8 | 177.2 | -86.3 | -30.7 | 0 | 0 | 0 | 113.6 | T17 D19 S20 I38 G39 V79 S80 C81 V82 | T17-N22 HydrophobicContact CG2-CB 4.04Å; T17-N22 WeakPolarHBondContact OG1-CB 3.21Å; T17-N22 PolarHBondContact OG1-ND2 2.95Å; D19-N22 WeakPolarHBondContact O-CB 3.24Å; D19-N22 PolarHBondContact O-N 3.4Å; S20-N22 PolarHBondContact O-N 3.23Å; N22-I38 CarbonylContact O-C 3.58Å; N22-I38 WeakPolarHBondContact O-CA 3.4Å; N22-G39 VanDerWaalsContact CB-O 3.24Å; N22-G39 WeakPolarHBondContact CB-O 3.35Å; N22-G39 PolarHBondContact O-N 3.31Å; N22-V79 PolarHBondContact ND2-O 2.96Å; N22-V79 PolarHBondContact OD1-O 3.32Å; N22-S80 PolarHBondContact OD1-O 2.86Å; N22-C81 WeakPolarHBondContact OD1-CA 3.44Å; N22-C81 PolarHBondContact OD1-N 3.05Å; N22-C81 VanDerWaalsContact OD1-N 3.1Å; N22-V82 VanDerWaalsContact C-CG2 3.45Å; N22-V82 WeakPolarHBondContact O-CG2 3.41Å |
| 23 | L | 98.4 | Very high | 95.8 | Very high | 11 Ų | 11 | 35.3 Ų | 35.3 | 6% | 0.058 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 130.2 | 176.6 | -61.6 | 173.2 | 0 | 0 | 0 | 109.6 | T17 S20 C21 L36 I37 I38 A386 I388 | T17-L23 HydrophobicContact CG2-CD1 4.29Å; T17-L23 HydrophobicContact CG2-CD2 3.68Å; T17-L23 HydrophobicContact CG2-CG 3.8Å; S20-L23 PolarHBondContact O-N 3.07Å; C21-L23 VanDerWaalsContact C-N 3.33Å; L23-L36 HydrophobicContact CD2-CD1 4.45Å; L23-I37 WeakPolarHBondContact CA-O 3.43Å; L23-I38 HydrophobicContact CD2-CB 4.4Å; L23-I38 HydrophobicContact CD2-CD1 4.46Å; L23-I38 HydrophobicContact CD2-CG1 3.89Å; L23-I38 HydrophobicContact CD2-CG2 4.14Å; L23-A386 HydrophobicContact CD1-CB 3.89Å; L23-I388 HydrophobicContact CB-CB 3.98Å; L23-I388 HydrophobicContact CB-CD1 4.1Å; L23-I388 HydrophobicContact CB-CG2 3.86Å; L23-I388 HydrophobicContact CD1-CB 4.03Å; L23-I388 HydrophobicContact CD1-CG2 3.89Å; L23-I388 HydrophobicContact CG-CG2 4.39Å |
| 24 | C | 98.1 | Very high | 96 | Very high | 16 Ų | 16 | 32.6 Ų | 32.6 | 11% | 0.108 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 132.6 | 174.2 | -178.3 | 0 | 0 | 0 | 0 | 109.8 | I37 V82 | C24-I37 HydrophobicContact CB-CB 4.23Å; C24-I37 HydrophobicContact CB-CD1 4.1Å; C24-I37 PolarHBondContact N-O 3.29Å; C24-I37 VanDerWaalsContact N-O 3.08Å; C24-I37 PolarHBondContact O-N 3.09Å; C24-V82 HydrophobicContact CB-CG2 3.97Å |
| 25 | L | 98.5 | Very high | 96.4 | Very high | 32 Ų | 32 | 28.7 Ų | 28.7 | 17% | 0.168 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 119.4 | 171.8 | -74.3 | 167.9 | 0 | 0 | 0 | 108.1 | E35 L36 I388 Y392 I404 | L25-E35 WeakPolarHBondContact CA-O 3.38Å; L25-L36 HydrophobicContact CD2-CB 4Å; L25-L36 HydrophobicContact CD2-CD1 3.9Å; L25-L36 HydrophobicContact CG-CD1 4.28Å; L25-I388 HydrophobicContact CD1-CG1 4.43Å; L25-I388 HydrophobicContact CD1-CG2 4.5Å; L25-I388 HydrophobicContact CG-CD1 4.41Å; L25-Y392 HydrophobicContact CD2-CD2 3.81Å; L25-Y392 HydrophobicContact CD2-CG 4.26Å; L25-I404 HydrophobicContact CD1-CD1 4.23Å; L25-I404 HydrophobicContact CD2-CD1 3.9Å; L25-I404 HydrophobicContact CG-CD1 4.4Å |
| 26 | Y | 97.8 | Very high | 96.6 | Very high | 75 Ų | 75 | 28.6 Ų | 28.6 | 29% | 0.294 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.3 | 146.3 | -176 | -158.8 | -88 | 0 | 0 | 0 | 110.8 | V28 E35 A84 G85 T93 | Y26-V28 HydrophobicContact CD1-CG1 4.25Å; Y26-V28 PolarHBondContact O-N 3.26Å; Y26-E35 PolarHBondContact N-O 3.11Å; Y26-E35 PolarHBondContact O-N 2.91Å; Y26-A84 HydrophobicContact CD1-CB 3.78Å; Y26-A84 HydrophobicContact CD2-CB 4.33Å; Y26-A84 WeakPolarHBondContact CD2-O 3.5Å; Y26-A84 WeakPolarHBondContact CE2-O 3.37Å; Y26-A84 HydrophobicContact CG-CB 3.69Å; Y26-G85 WeakPolarHBondContact OH-CA 3.38Å; Y26-T93 HydrophobicContact CD1-CG2 3.67Å; Y26-T93 HydrophobicContact CE1-CG2 3.39Å |
| 27 | D | 97.3 | Very high | 96.8 | Very high | 28 Ų | 28 | 27.2 Ų | 27.2 | 15% | 0.15 | 16% | 0.156 | C | C | . | . | trans | -77.1 | 94.6 | 170 | 177.2 | 1.9 | 0 | 0 | 0 | 109.5 | N30 D31 G32 D33 N34 E35 | D27-N30 WeakPolarHBondContact OD1-CA 3.44Å; D27-N30 PolarHBondContact OD1-N 2.86Å; D27-N30 WeakPolarHBondContact OD2-CA 3.49Å; D27-D31 PolarHBondContact OD1-N 3.42Å; D27-G32 WeakPolarHBondContact OD2-CA 3.41Å; D27-G32 PolarHBondContact OD2-N 2.87Å; D27-D33 WeakPolarHBondContact CA-O 3.29Å; D27-D33 WeakPolarHBondContact CB-O 3.48Å; D27-N34 PolarHBondContact N-OD1 3.41Å; D27-E35 WeakPolarHBondContact CA-OE2 2.99Å | ||
| 28 | V | 96.6 | Very high | 97 | Very high | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.012 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -87.6 | -13 | -171.9 | -60.5 | 0 | 0 | 0 | 0 | 113.7 | Y26 E35 I37 V63 W70 A84 T93 I95 A109 | Y26-V28 HydrophobicContact CD1-CG1 4.25Å; Y26-V28 PolarHBondContact O-N 3.26Å; V28-E35 HydrophobicContact CG2-CB 4.12Å; V28-E35 HydrophobicContact CG2-CG 3.92Å; V28-E35 WeakPolarHBondContact CG2-OE2 3.49Å; V28-E35 PolarHBondContact N-OE2 3.29Å; V28-I37 HydrophobicContact CG1-CD1 3.74Å; V28-I37 HydrophobicContact CG1-CG1 4.18Å; V28-V63 HydrophobicContact CG2-CG1 4.02Å; V28-W70 HydrophobicContact CG2-CZ3 3.93Å; V28-A84 HydrophobicContact CG1-CB 4.15Å; V28-T93 HydrophobicContact CB-CG2 4.37Å; V28-T93 HydrophobicContact CG1-CG2 4.42Å; V28-I95 HydrophobicContact CB-CD1 4.31Å; V28-I95 HydrophobicContact CB-CG1 4.36Å; V28-I95 HydrophobicContact CG1-CD1 4Å; V28-I95 HydrophobicContact CG1-CG1 3.81Å; V28-I95 HydrophobicContact CG2-CD1 4.47Å; V28-A109 HydrophobicContact CB-CB 3.99Å; V28-A109 HydrophobicContact CG2-CB 3.56Å |
| 29 | D | 95.2 | Very high | 97.2 | Very high | 34 Ų | 34 | 24.6 Ų | 24.6 | 18% | 0.182 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -117 | 6.7 | 177.1 | 67.1 | -1.3 | 0 | 0 | 0 | 114.9 | D31 K65 W70 C110 | D29-D31 PolarHBondContact O-N 2.97Å; D29-D31 VanDerWaalsContact OD1-CG 3.25Å; D29-K65 IonicContact OD1-NZ 3.47Å; D29-K65 PolarHBondContact OD1-NZ 3.48Å; D29-K65 IonicContact OD2-NZ 3.65Å; D29-K65 PolarHBondContact OD2-NZ 2.92Å; D29-W70 HydrophobicContact CB-CH2 3.73Å; D29-W70 HydrophobicContact CB-CZ3 4.2Å; D29-W70 WeakPolarHBondContact OD2-CH2 3.43Å; D29-C110 VanDerWaalsContact CA-SG 3.52Å; D29-C110 WeakPolarHBondContact CB-SG 3.48Å |
| 30 | N | 93.7 | Very high | 97.2 | Very high | 82 Ų | 82 | 22.5 Ų | 22.5 | 44% | 0.439 | 13% | 0.128 | S | C | . | . | S | Bend | trans | 58.7 | 31.6 | 175.1 | -60.1 | -46.2 | 0 | 0 | 0 | 113 | D27 D91 T93 | D27-N30 WeakPolarHBondContact OD1-CA 3.44Å; D27-N30 PolarHBondContact OD1-N 2.86Å; D27-N30 WeakPolarHBondContact OD2-CA 3.49Å; N30-D91 PolarHBondContact ND2-O 3.03Å; N30-T93 PolarHBondContact ND2-OG1 3.37Å; N30-T93 PolarHBondContact OD1-OG1 3.03Å; N30-T93 VanDerWaalsContact OD1-OG1 3.14Å |
| 31 | D | 95.5 | Very high | 96.9 | Very high | 80 Ų | 80 | 26.5 Ų | 26.5 | 43% | 0.428 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -92.7 | -1.4 | 175.6 | 80.6 | -6.4 | 0 | 0 | 0 | 113.4 | D27 D29 D33 K65 | D27-D31 PolarHBondContact OD1-N 3.42Å; D29-D31 PolarHBondContact O-N 2.97Å; D29-D31 VanDerWaalsContact OD1-CG 3.25Å; D31-D33 VanDerWaalsContact OD1-CB 3.28Å; D31-D33 WeakPolarHBondContact OD1-CB 3.3Å; D31-D33 PolarHBondContact OD1-N 2.99Å; D31-K65 IonicContact OD1-NZ 2.73Å; D31-K65 PolarHBondContact OD1-NZ 2.93Å; D31-K65 WeakPolarHBondContact OD2-CE 3.43Å; D31-K65 IonicContact OD2-NZ 3.98Å; D31-K65 PolarHBondContact OD2-NZ 3.37Å |
| 32 | G | 96.1 | Very high | 96.2 | Very high | 42 Ų | 42 | 27.8 Ų | 27.8 | 43% | 0.433 | 15% | 0.149 | S | C | . | . | S | Bend | trans | 90.7 | -5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114 | D27 N399 | D27-G32 WeakPolarHBondContact OD2-CA 3.41Å; D27-G32 PolarHBondContact OD2-N 2.87Å; G32-N399 PolarHBondContact O-ND2 3.44Å |
| 33 | D | 97.8 | Very high | 95 | Very high | 6 Ų | 6 | 29.5 Ų | 29.5 | 3% | 0.032 | 16% | 0.161 | C | C | . | . | P | Polyproline II helix | trans | -96.4 | 133.9 | 174.3 | -77.4 | -29.9 | 0 | 0 | 0 | 110.9 | D27 D31 Y66 A393 P396 G397 R398 | D27-D33 WeakPolarHBondContact CA-O 3.29Å; D27-D33 WeakPolarHBondContact CB-O 3.48Å; D31-D33 VanDerWaalsContact OD1-CB 3.28Å; D31-D33 WeakPolarHBondContact OD1-CB 3.3Å; D31-D33 PolarHBondContact OD1-N 2.99Å; D33-Y66 HydrophobicContact CB-CE1 4.41Å; D33-Y66 WeakPolarHBondContact OD2-CE1 3.29Å; D33-Y66 PolarHBondContact OD2-OH 3.4Å; D33-A393 HydrophobicContact CB-CB 3.38Å; D33-P396 VanDerWaalsContact OD2-CA 3.27Å; D33-P396 WeakPolarHBondContact OD2-CA 3.29Å; D33-G397 VanDerWaalsContact CG-N 3.29Å; D33-G397 WeakPolarHBondContact OD1-CA 3.12Å; D33-G397 PolarHBondContact OD1-N 2.68Å; D33-G397 PolarHBondContact OD2-N 3.18Å; D33-R398 PolarHBondContact OD1-N 3.02Å |
| 34 | N | 98.1 | Very high | 93.9 | Very high | 37 Ų | 37 | 29.3 Ų | 29.3 | 20% | 0.198 | 16% | 0.162 | C | C | . | . | P | Polyproline II helix | trans | -84.5 | 124.8 | 177.7 | -66.1 | -72.2 | 0 | 0 | 0 | 110.7 | D27 L391 Y392 A393 N399 | D27-N34 PolarHBondContact N-OD1 3.41Å; N34-L391 WeakPolarHBondContact CB-O 3.48Å; N34-Y392 WeakPolarHBondContact O-CD2 3.37Å; N34-A393 PolarHBondContact O-N 2.83Å; N34-N399 WeakPolarHBondContact CB-OD1 3.21Å; N34-N399 PolarHBondContact N-OD1 2.98Å; N34-N399 VanDerWaalsContact ND2-CG 3.26Å; N34-N399 PolarHBondContact ND2-OD1 3.02Å |
| 35 | E | 98.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 163.6 | 168.4 | -69.1 | 69.5 | -140.8 | 0 | 0 | 112.2 | L25 Y26 D27 V28 V63 K65 W70 | L25-E35 WeakPolarHBondContact CA-O 3.38Å; Y26-E35 PolarHBondContact N-O 3.11Å; Y26-E35 PolarHBondContact O-N 2.91Å; D27-E35 WeakPolarHBondContact CA-OE2 2.99Å; V28-E35 HydrophobicContact CG2-CB 4.12Å; V28-E35 HydrophobicContact CG2-CG 3.92Å; V28-E35 WeakPolarHBondContact CG2-OE2 3.49Å; V28-E35 PolarHBondContact N-OE2 3.29Å; E35-V63 HydrophobicContact CB-CG1 3.77Å; E35-V63 HydrophobicContact CG-CG1 3.85Å; E35-K65 HydrophobicContact CG-CB 3.97Å; E35-K65 HydrophobicContact CG-CD 4.09Å; E35-K65 HydrophobicContact CG-CG 3.95Å; E35-K65 WeakPolarHBondContact OE1-CD 3.41Å; E35-K65 WeakPolarHBondContact OE1-CE 3.21Å; E35-K65 WeakPolarHBondContact OE1-CG 3.5Å; E35-K65 IonicContact OE1-NZ 3.64Å; E35-K65 PolarHBondContact OE1-NZ 3.03Å; E35-W70 HydrophobicContact CG-CE3 4.23Å; E35-W70 HydrophobicContact CG-CZ3 4.41Å |
| 36 | L | 98.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 118.1 | 170.1 | 173.4 | 66.7 | 0 | 0 | 0 | 109.3 | L23 L25 I38 V63 L64 I388 Y392 I404 T412 I414 | L23-L36 HydrophobicContact CD2-CD1 4.45Å; L25-L36 HydrophobicContact CD2-CB 4Å; L25-L36 HydrophobicContact CD2-CD1 3.9Å; L25-L36 HydrophobicContact CG-CD1 4.28Å; L36-I38 HydrophobicContact CD1-CG1 4.41Å; L36-I38 HydrophobicContact CD2-CD1 3.78Å; L36-I38 HydrophobicContact CD2-CG1 4.03Å; L36-I38 HydrophobicContact CG-CD1 4.17Å; L36-I38 HydrophobicContact CG-CG1 3.85Å; L36-V63 WeakPolarHBondContact O-CA 3.41Å; L36-L64 HydrophobicContact CB-CB 4.2Å; L36-L64 HydrophobicContact CD2-CD2 4.12Å; L36-L64 PolarHBondContact N-O 2.89Å; L36-L64 PolarHBondContact O-N 3.33Å; L36-I388 HydrophobicContact CD1-CG2 4.31Å; L36-Y392 HydrophobicContact CB-CD2 3.97Å; L36-Y392 HydrophobicContact CB-CE2 3.68Å; L36-I404 HydrophobicContact CD1-CD1 3.89Å; L36-I404 HydrophobicContact CD2-CD1 3.89Å; L36-I404 HydrophobicContact CD2-CG2 3.9Å; L36-I404 HydrophobicContact CG-CD1 4.37Å; L36-T412 HydrophobicContact CD2-CG2 4.41Å; L36-I414 HydrophobicContact CD2-CD1 3.93Å |
| 37 | I | 98.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 130.6 | 172.9 | -54.7 | 153.3 | 0 | 0 | 0 | 108.2 | L23 C24 V28 V61 H62 V63 V82 A84 I95 | L23-I37 WeakPolarHBondContact CA-O 3.43Å; C24-I37 HydrophobicContact CB-CB 4.23Å; C24-I37 HydrophobicContact CB-CD1 4.1Å; C24-I37 PolarHBondContact N-O 3.29Å; C24-I37 VanDerWaalsContact N-O 3.08Å; C24-I37 PolarHBondContact O-N 3.09Å; V28-I37 HydrophobicContact CG1-CD1 3.74Å; V28-I37 HydrophobicContact CG1-CG1 4.18Å; I37-V61 HydrophobicContact CG2-CG1 3.93Å; I37-H62 CarbonylContact C-O 3.55Å; I37-H62 WeakPolarHBondContact CA-O 3.45Å; I37-V63 HydrophobicContact CG1-CG2 4.43Å; I37-V82 HydrophobicContact CG2-CB 4.23Å; I37-V82 HydrophobicContact CG2-CG2 3.96Å; I37-A84 HydrophobicContact CD1-CB 3.55Å; I37-I95 HydrophobicContact CD1-CD1 4.36Å; I37-I95 HydrophobicContact CD1-CG1 3.97Å; I37-I95 HydrophobicContact CD1-CG2 4.23Å; I37-I95 HydrophobicContact CG1-CD1 4.22Å; I37-I95 HydrophobicContact CG1-CG1 4.37Å; I37-I95 HydrophobicContact CG2-CG2 3.81Å |
| 38 | I | 98.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 106.1 | 178 | -52.3 | -178.3 | 0 | 0 | 0 | 108.7 | I15 T17 N22 L23 L36 V61 H62 L64 T412 | I15-I38 HydrophobicContact CG2-CD1 3.82Å; T17-I38 HydrophobicContact CG2-CG2 4.24Å; N22-I38 CarbonylContact O-C 3.58Å; N22-I38 WeakPolarHBondContact O-CA 3.4Å; L23-I38 HydrophobicContact CD2-CB 4.4Å; L23-I38 HydrophobicContact CD2-CD1 4.46Å; L23-I38 HydrophobicContact CD2-CG1 3.89Å; L23-I38 HydrophobicContact CD2-CG2 4.14Å; L36-I38 HydrophobicContact CD1-CG1 4.41Å; L36-I38 HydrophobicContact CD2-CD1 3.78Å; L36-I38 HydrophobicContact CD2-CG1 4.03Å; L36-I38 HydrophobicContact CG-CD1 4.17Å; L36-I38 HydrophobicContact CG-CG1 3.85Å; I38-V61 CarbonylContact O-C 3.54Å; I38-V61 WeakPolarHBondContact O-CA 3.29Å; I38-H62 HydrophobicContact CB-CB 4.49Å; I38-H62 PolarHBondContact N-O 3.09Å; I38-H62 PolarHBondContact O-N 2.98Å; I38-L64 HydrophobicContact CD1-CD1 4.12Å; I38-L64 HydrophobicContact CD1-CD2 3.89Å; I38-L64 HydrophobicContact CG1-CD1 4.49Å; I38-T412 HydrophobicContact CD1-CG2 4.12Å |
| 39 | G | 97.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 140.7 | 160.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | T17 N22 S60 | T17-G39 WeakPolarHBondContact CB-O 3.44Å; T17-G39 PolarHBondContact OG1-O 2.67Å; N22-G39 VanDerWaalsContact CB-O 3.24Å; N22-G39 WeakPolarHBondContact CB-O 3.35Å; N22-G39 PolarHBondContact O-N 3.31Å; G39-S60 CarbonylContact C-O 3.59Å |
| 40 | S | 94.5 | Very high | 88.8 | Confident | 16 Ų | 16 | 50.8 Ų | 50.8 | 11% | 0.112 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 148.4 | 179.1 | 65.2 | 0 | 0 | 0 | 0 | 111 | Y16 G59 S60 | Y16-S40 WeakPolarHBondContact O-CB 3.41Å; S40-G59 CarbonylContact O-C 3.57Å; S40-G59 WeakPolarHBondContact O-CA 3.1Å; S40-S60 PolarHBondContact N-O 3.18Å; S40-S60 PolarHBondContact O-N 3.26Å; S40-S60 PolarHBondContact OG-O 3.04Å; S40-S60 PolarHBondContact OG-OG 3.33Å |
| 41 | W | 90.2 | Very high | 88 | Confident | 89 Ų | 89 | 52.8 Ų | 52.8 | 34% | 0.337 | 30% | 0.296 | S | S | . | . | trans | -147.4 | 141.1 | 165.9 | 178.2 | 79.6 | 0 | 0 | 0 | 108.4 | M78 | W41-M78 HydrophobicContact CB-CB 4.37Å; W41-M78 HydrophobicContact CB-CG 3.95Å; W41-M78 HydrophobicContact CD2-CB 3.97Å; W41-M78 HydrophobicContact CD2-CG 3.51Å; W41-M78 HydrophobicContact CD2-SD 3.63Å; W41-M78 HydrophobicContact CE3-CG 3.89Å; W41-M78 HydrophobicContact CE3-SD 3.53Å; W41-M78 VanDerWaalsContact CE3-SD 3.53Å; W41-M78 HydrophobicContact CG-CB 3.74Å; W41-M78 HydrophobicContact CG-CG 3.54Å; W41-M78 HydrophobicContact CG-SD 4.32Å; W41-M78 HydrophobicContact CH2-SD 3.88Å; W41-M78 HydrophobicContact CZ2-SD 3.98Å; W41-M78 HydrophobicContact CZ3-SD 3.66Å | ||
| 42 | D | 82 | Confident | 86.7 | Confident | 31 Ų | 31 | 50.9 Ų | 50.9 | 17% | 0.166 | 29% | 0.292 | C | S | . | . | trans | -130.3 | 151 | 174.9 | -177.2 | 1.4 | 0 | 0 | 0 | 106.9 | Y16 G44 S57 R410 | Y16-D42 VanDerWaalsContact OH-CB 3.31Å; Y16-D42 WeakPolarHBondContact OH-CB 3.42Å; Y16-D42 PolarHBondContact OH-OD2 2.9Å; D42-G44 VanDerWaalsContact CG-N 3.27Å; D42-G44 PolarHBondContact O-N 3.33Å; D42-G44 PolarHBondContact OD1-N 3.4Å; D42-S57 VanDerWaalsContact C-OG 3.24Å; D42-S57 WeakPolarHBondContact O-CB 3.34Å; D42-S57 PolarHBondContact O-OG 2.9Å; D42-R410 IonicContact OD1-CZ 2.92Å; D42-R410 IonicContact OD1-NH2 2.86Å; D42-R410 PolarHBondContact OD1-NH2 2.93Å; D42-R410 VanDerWaalsContact OD1-NH2 3.1Å; D42-R410 IonicContact OD2-CZ 2.78Å; D42-R410 IonicContact OD2-NE 2.68Å; D42-R410 IonicContact OD2-NH1 3.23Å; D42-R410 PolarHBondContact OD2-NH1 3.11Å; D42-R410 IonicContact OD2-NH2 2.61Å; D42-R410 PolarHBondContact OD2-NH2 3.47Å | ||
| 43 | S | 73.9 | Confident | 85.5 | Confident | 38 Ų | 38 | 50.3 Ų | 50.3 | 27% | 0.266 | 28% | 0.278 | S | S | . | . | trans | -74.2 | -9.2 | 167.3 | 58.7 | 0 | 0 | 0 | 0 | 112.2 | N53 | S43-N53 PolarHBondContact O-N 3.01Š| ||
| 44 | G | 74 | Confident | 83.9 | Confident | 8 Ų | 8 | 53.3 Ų | 53.3 | 8% | 0.082 | 31% | 0.305 | C | S | . | . | trans | 72.2 | -174.4 | -167.2 | 0 | 0 | 0 | 0 | 0 | 111 | D42 S57 | D42-G44 VanDerWaalsContact CG-N 3.27Å; D42-G44 PolarHBondContact O-N 3.33Å; D42-G44 PolarHBondContact OD1-N 3.4Å; G44-S57 PolarHBondContact N-OG 3.02Å | ||
| 45 | P | 74.1 | Confident | 82.2 | Confident | 88 Ų | 88 | 55.7 Ų | 55.7 | 57% | 0.571 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -62.2 | 144.5 | 170.6 | 28.4 | -33.4 | 0 | 0 | 0 | 110 | L47 N53 | P45-L47 PolarHBondContact O-N 3.25Å; P45-N53 WeakPolarHBondContact O-CB 3.29Å; P45-N53 PolarHBondContact O-N 2.97Å |
| 46 | L | 74.8 | Confident | 80.3 | Confident | 120 Ų | 120 | 61.6 Ų | 61.6 | 63% | 0.628 | 36% | 0.361 | S | S | * | . | B | Isolated β-bridge | trans | -65.7 | 132.7 | 166.9 | -60.5 | 178.2 | 0 | 0 | 0 | 108.6 | E51 | L46-E51 CarbonylContact C-O 3.56Å; L46-E51 WeakPolarHBondContact CA-O 3.49Å |
| 47 | L | 80.1 | Confident | 78.6 | Confident | 70 Ų | 70 | 62.5 Ų | 62.5 | 37% | 0.366 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 165.8 | 169.2 | -64.3 | 174.8 | 0 | 0 | 0 | 109.8 | P45 N49 G50 E51 N53 | P45-L47 PolarHBondContact O-N 3.25Å; L47-N49 WeakPolarHBondContact CB-OD1 3.33Å; L47-N49 PolarHBondContact O-N 3.43Å; L47-N49 VanDerWaalsContact O-N 3.1Å; L47-G50 WeakPolarHBondContact O-CA 3.48Å; L47-G50 PolarHBondContact O-N 3.39Å; L47-E51 WeakPolarHBondContact CB-O 3.3Å; L47-E51 PolarHBondContact N-O 2.93Å; L47-N53 HydrophobicContact CD1-CB 4.49Å; L47-N53 HydrophobicContact CD2-CB 3.76Å; L47-N53 HydrophobicContact CG-CB 3.91Å |
| 48 | E | 82.6 | Confident | 77.6 | Confident | 212 Ų | 212 | 66.8 Ų | 66.8 | 99% | 0.991 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -25.8 | 179.3 | -66.2 | -174.5 | 169.4 | 0 | 0 | 113.3 | G50 | E48-G50 PolarHBondContact O-N 3.16Š|
| 49 | N | 86.1 | Confident | 77.3 | Confident | 100 Ų | 100 | 66.8 Ų | 66.8 | 54% | 0.535 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 0.1 | 175.3 | 68.1 | -7.3 | 0 | 0 | 0 | 113.6 | L47 E51 | L47-N49 WeakPolarHBondContact CB-OD1 3.33Å; L47-N49 PolarHBondContact O-N 3.43Å; L47-N49 VanDerWaalsContact O-N 3.1Å; N49-E51 VanDerWaalsContact C-N 3.28Å; N49-E51 PolarHBondContact ND2-OE2 3.27Å; N49-E51 PolarHBondContact O-N 2.94Å; N49-E51 VanDerWaalsContact OD1-CB 3.31Å; N49-E51 WeakPolarHBondContact OD1-CB 3.35Å; N49-E51 PolarHBondContact OD1-N 3.3Å |
| 50 | G | 79.2 | Confident | 77.1 | Confident | 48 Ų | 48 | 67.1 Ų | 67.1 | 50% | 0.495 | 39% | 0.39 | S | S | . | . | S | Bend | trans | 81.2 | -0.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | L47 E48 | L47-G50 WeakPolarHBondContact O-CA 3.48Å; L47-G50 PolarHBondContact O-N 3.39Å; E48-G50 PolarHBondContact O-N 3.16Å |
| 51 | E | 76.9 | Confident | 77.3 | Confident | 123 Ų | 123 | 66.4 Ų | 66.4 | 58% | 0.575 | 38% | 0.384 | S | S | * | . | trans | -78.7 | 148.3 | 175.2 | -63.9 | 177.8 | 163.7 | 0 | 0 | 110.6 | L46 L47 N49 N53 | L46-E51 CarbonylContact C-O 3.56Å; L46-E51 WeakPolarHBondContact CA-O 3.49Å; L47-E51 WeakPolarHBondContact CB-O 3.3Å; L47-E51 PolarHBondContact N-O 2.93Å; N49-E51 VanDerWaalsContact C-N 3.28Å; N49-E51 PolarHBondContact ND2-OE2 3.27Å; N49-E51 PolarHBondContact O-N 2.94Å; N49-E51 VanDerWaalsContact OD1-CB 3.31Å; N49-E51 WeakPolarHBondContact OD1-CB 3.35Å; N49-E51 PolarHBondContact OD1-N 3.3Å; E51-N53 PolarHBondContact O-N 3.4Å | ||
| 52 | A | 69 | Low | 77.7 | Confident | 41 Ų | 41 | 62.4 Ų | 62.4 | 34% | 0.339 | 37% | 0.369 | S | S | . | . | B | Isolated β-bridge | trans | -62 | 136.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | A54 | A52-A54 PolarHBondContact O-N 2.96Å |
| 53 | N | 70.3 | Confident | 78.4 | Confident | 29 Ų | 29 | 61 Ų | 61 | 16% | 0.155 | 36% | 0.362 | C | S | . | . | trans | -75.9 | 62.4 | 168.3 | -168.1 | -1.1 | 0 | 0 | 0 | 111 | S43 P45 L47 E51 A55 N56 S57 | S43-N53 PolarHBondContact O-N 3.01Å; P45-N53 WeakPolarHBondContact O-CB 3.29Å; P45-N53 PolarHBondContact O-N 2.97Å; L47-N53 HydrophobicContact CD1-CB 4.49Å; L47-N53 HydrophobicContact CD2-CB 3.76Å; L47-N53 HydrophobicContact CG-CB 3.91Å; E51-N53 PolarHBondContact O-N 3.4Å; N53-A55 PolarHBondContact O-N 3.47Å; N53-N56 PolarHBondContact ND2-ND2 2.82Å; N53-N56 PolarHBondContact O-N 2.88Å; N53-N56 VanDerWaalsContact O-N 3.12Å; N53-S57 PolarHBondContact O-N 3.13Å | ||
| 54 | A | 64 | Low | 79.6 | Confident | 70 Ų | 70 | 59.1 Ų | 59.1 | 58% | 0.579 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -60.2 | -28.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A52 N56 S57 | A52-A54 PolarHBondContact O-N 2.96Å; A54-N56 VanDerWaalsContact C-N 3.25Å; A54-N56 PolarHBondContact O-N 2.8Å; A54-S57 PolarHBondContact O-N 3.03Å |
| 55 | A | 63.3 | Low | 80.6 | Confident | 86 Ų | 86 | 59.3 Ų | 59.3 | 71% | 0.711 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -65.3 | -25.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | N53 | N53-A55 PolarHBondContact O-N 3.47Š|
| 56 | N | 57.2 | Low | 81.7 | Confident | 125 Ų | 125 | 57.4 Ų | 57.4 | 67% | 0.668 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -105 | 1.6 | 179.4 | -76 | -7.9 | 0 | 0 | 0 | 113.3 | N53 A54 | N53-N56 PolarHBondContact ND2-ND2 2.82Å; N53-N56 PolarHBondContact O-N 2.88Å; N53-N56 VanDerWaalsContact O-N 3.12Å; A54-N56 VanDerWaalsContact C-N 3.25Å; A54-N56 PolarHBondContact O-N 2.8Å |
| 57 | S | 63.8 | Low | 82.7 | Confident | 19 Ų | 19 | 55.8 Ų | 55.8 | 13% | 0.133 | 32% | 0.315 | C | S | . | . | trans | -113.3 | 103.6 | -174 | -158.2 | 0 | 0 | 0 | 0 | 111.1 | D42 G44 N53 A54 | D42-S57 VanDerWaalsContact C-OG 3.24Å; D42-S57 WeakPolarHBondContact O-CB 3.34Å; D42-S57 PolarHBondContact O-OG 2.9Å; G44-S57 PolarHBondContact N-OG 3.02Å; N53-S57 PolarHBondContact O-N 3.13Å; A54-S57 PolarHBondContact O-N 3.03Å | ||
| 58 | E | 77.5 | Confident | 83.4 | Confident | 89 Ų | 89 | 57.5 Ų | 57.5 | 42% | 0.416 | 32% | 0.319 | S | S | . | . | trans | -108 | 118.6 | -171.2 | -69.5 | 164 | 167.9 | 0 | 0 | 108.1 | H75 | E58-H75 IonicContact OE1-CE1 2.67Å; E58-H75 PolarHBondContact OE1-CE1 2.98Å; E58-H75 IonicContact OE1-CG 3.64Å; E58-H75 IonicContact OE1-ND1 3.88Å; E58-H75 PolarHBondContact OE1-ND1 3.24Å; E58-H75 IonicContact OE2-CE1 2.91Å; E58-H75 PolarHBondContact OE2-CE1 3.36Å; E58-H75 IonicContact OE2-CG 3.03Å; E58-H75 IonicContact OE2-ND1 3.68Å; E58-H75 PolarHBondContact OE2-ND1 3.4Å; E58-H75 IonicContact OE2-NE2 2.83Å | ||
| 59 | G | 91.4 | Very high | 84 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | trans | -63.9 | 151.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | S40 H75 L76 G77 | S40-G59 CarbonylContact O-C 3.57Å; S40-G59 WeakPolarHBondContact O-CA 3.1Å; G59-H75 PolarHBondContact O-N 3.29Å; G59-L76 PolarHBondContact O-N 3.13Å; G59-G77 WeakPolarHBondContact CA-O 3.26Å; G59-G77 PolarHBondContact N-O 3.27Å | ||
| 60 | S | 95.1 | Very high | 84.5 | Confident | 8 Ų | 8 | 45.1 Ų | 45.1 | 6% | 0.056 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 154.4 | -170.2 | 60.9 | 0 | 0 | 0 | 0 | 110.3 | G39 S40 H62 S73 | G39-S60 CarbonylContact C-O 3.59Å; S40-S60 PolarHBondContact N-O 3.18Å; S40-S60 PolarHBondContact O-N 3.26Å; S40-S60 PolarHBondContact OG-O 3.04Å; S40-S60 PolarHBondContact OG-OG 3.33Å; S60-H62 PolarHBondContact OG-CE1 2.93Å; S60-H62 PolarHBondContact OG-ND1 3.4Å; S60-S73 CarbonylContact C-O 3.54Å; S60-S73 WeakPolarHBondContact CA-O 3.49Å; S60-S73 WeakPolarHBondContact CB-O 3.43Å |
| 61 | V | 97.8 | Very high | 85.3 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 122.8 | 170.9 | 172.6 | 0 | 0 | 0 | 0 | 107.1 | I37 I38 A72 S73 L76 V79 V82 I95 A97 F107 L146 | I37-V61 HydrophobicContact CG2-CG1 3.93Å; I38-V61 CarbonylContact O-C 3.54Å; I38-V61 WeakPolarHBondContact O-CA 3.29Å; V61-A72 CarbonylContact O-C 3.58Å; V61-A72 WeakPolarHBondContact O-CA 3.28Å; V61-S73 PolarHBondContact N-O 3.39Å; V61-S73 PolarHBondContact O-N 2.7Å; V61-L76 HydrophobicContact CB-CD1 4.07Å; V61-L76 HydrophobicContact CG2-CD1 3.57Å; V61-V79 HydrophobicContact CG2-CG1 4.39Å; V61-V79 HydrophobicContact CG2-CG2 4.49Å; V61-V82 HydrophobicContact CG2-CG1 4.46Å; V61-I95 HydrophobicContact CG1-CG2 4.29Å; V61-A97 HydrophobicContact CG2-CB 3.66Å; V61-F107 HydrophobicContact CG2-CE2 4.45Å; V61-L146 HydrophobicContact CB-CD1 4.24Å; V61-L146 HydrophobicContact CG1-CD1 3.82Å |
| 62 | H | 97.8 | Very high | 86.2 | Confident | 6 Ų | 6 | 37.9 Ų | 37.9 | 3% | 0.028 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 139.6 | 174.3 | -64 | 85.6 | 0 | 0 | 0 | 109.9 | I37 I38 S60 L64 Y74 | I37-H62 CarbonylContact C-O 3.55Å; I37-H62 WeakPolarHBondContact CA-O 3.45Å; I38-H62 HydrophobicContact CB-CB 4.49Å; I38-H62 PolarHBondContact N-O 3.09Å; I38-H62 PolarHBondContact O-N 2.98Å; S60-H62 PolarHBondContact OG-CE1 2.93Å; S60-H62 PolarHBondContact OG-ND1 3.4Å; H62-L64 HydrophobicContact CB-CD1 3.71Å; H62-Y74 AromaticContact NE2-CE1 3.7Å; H62-Y74 AromaticContact NE2-CZ 4Å |
| 63 | V | 98.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 118 | 168.9 | -177.6 | 0 | 0 | 0 | 0 | 107.8 | V28 E35 L36 I37 W70 K71 I95 L146 | V28-V63 HydrophobicContact CG2-CG1 4.02Å; E35-V63 HydrophobicContact CB-CG1 3.77Å; E35-V63 HydrophobicContact CG-CG1 3.85Å; L36-V63 WeakPolarHBondContact O-CA 3.41Å; I37-V63 HydrophobicContact CG1-CG2 4.43Å; V63-W70 HydrophobicContact CG1-CE3 3.82Å; V63-W70 HydrophobicContact CG1-CZ3 4.39Å; V63-W70 WeakPolarHBondContact O-CB 3.34Å; V63-W70 PolarHBondContact O-N 3.32Å; V63-K71 HydrophobicContact CB-CB 4.41Å; V63-K71 PolarHBondContact N-O 3.13Å; V63-K71 PolarHBondContact O-N 3.16Å; V63-I95 HydrophobicContact CG2-CD1 3.47Å; V63-I95 VanDerWaalsContact CG2-CD1 3.47Å; V63-L146 HydrophobicContact CG2-CD1 4.09Å; V63-L146 HydrophobicContact CG2-CD2 3.88Å; V63-L146 HydrophobicContact CG2-CG 4.46Å |
| 64 | L | 97.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 123.3 | 179.6 | -79.3 | 60 | 0 | 0 | 0 | 108.3 | F12 I15 L36 I38 H62 K68 V69 Y392 | F12-L64 HydrophobicContact CD1-CD2 3.85Å; F12-L64 HydrophobicContact CD1-CG 4.34Å; F12-L64 HydrophobicContact CD2-CD2 3.66Å; F12-L64 HydrophobicContact CE1-CD2 3.84Å; F12-L64 HydrophobicContact CE1-CG 4.04Å; F12-L64 HydrophobicContact CE2-CD2 3.65Å; F12-L64 HydrophobicContact CG-CD2 3.75Å; F12-L64 HydrophobicContact CZ-CB 4.5Å; F12-L64 HydrophobicContact CZ-CD2 3.73Å; F12-L64 HydrophobicContact CZ-CG 4.12Å; I15-L64 HydrophobicContact CG2-CD1 4.4Å; L36-L64 HydrophobicContact CB-CB 4.2Å; L36-L64 HydrophobicContact CD2-CD2 4.12Å; L36-L64 PolarHBondContact N-O 2.89Å; L36-L64 PolarHBondContact O-N 3.33Å; I38-L64 HydrophobicContact CD1-CD1 4.12Å; I38-L64 HydrophobicContact CD1-CD2 3.89Å; I38-L64 HydrophobicContact CG1-CD1 4.49Å; H62-L64 HydrophobicContact CB-CD1 3.71Å; L64-K68 WeakPolarHBondContact CA-O 3.26Å; L64-V69 HydrophobicContact CD1-CG2 4.14Å; L64-V69 HydrophobicContact CG-CG2 4.31Å; L64-Y392 WeakPolarHBondContact O-CE2 3.5Å; L64-Y392 PolarHBondContact O-OH 3.02Å; L64-Y392 VanDerWaalsContact O-OH 3.09Å |
| 65 | K | 96.3 | Very high | 89.7 | Confident | 11 Ų | 11 | 37.5 Ų | 37.5 | 5% | 0.048 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 126.7 | 175.1 | -164.9 | 168.3 | 178.4 | 125.2 | 0 | 108.6 | D29 D31 E35 R67 K68 W70 | D29-K65 IonicContact OD1-NZ 3.47Å; D29-K65 PolarHBondContact OD1-NZ 3.48Å; D29-K65 IonicContact OD2-NZ 3.65Å; D29-K65 PolarHBondContact OD2-NZ 2.92Å; D31-K65 IonicContact OD1-NZ 2.73Å; D31-K65 PolarHBondContact OD1-NZ 2.93Å; D31-K65 WeakPolarHBondContact OD2-CE 3.43Å; D31-K65 IonicContact OD2-NZ 3.98Å; D31-K65 PolarHBondContact OD2-NZ 3.37Å; E35-K65 HydrophobicContact CG-CB 3.97Å; E35-K65 HydrophobicContact CG-CD 4.09Å; E35-K65 HydrophobicContact CG-CG 3.95Å; E35-K65 WeakPolarHBondContact OE1-CD 3.41Å; E35-K65 WeakPolarHBondContact OE1-CE 3.21Å; E35-K65 WeakPolarHBondContact OE1-CG 3.5Å; E35-K65 IonicContact OE1-NZ 3.64Å; E35-K65 PolarHBondContact OE1-NZ 3.03Å; K65-R67 PolarHBondContact O-N 2.99Å; K65-R67 VanDerWaalsContact O-N 3.1Å; K65-K68 PolarHBondContact N-O 3.32Å; K65-K68 VanDerWaalsContact N-O 3.1Å; K65-K68 PolarHBondContact O-N 2.76Å; K65-W70 HydrophobicContact CB-CB 3.74Å; K65-W70 HydrophobicContact CB-CD2 4.31Å; K65-W70 HydrophobicContact CB-CE3 4.22Å; K65-W70 HydrophobicContact CB-CG 4.13Å; K65-W70 HydrophobicContact CD-CD2 4.08Å; K65-W70 HydrophobicContact CD-CE3 3.9Å; K65-W70 HydrophobicContact CD-CZ3 4.28Å |
| 66 | Y | 96 | Very high | 91 | Very high | 49 Ų | 49 | 33.7 Ų | 33.7 | 19% | 0.192 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | -103.2 | -176.2 | -44.8 | -50 | 0 | 0 | 0 | 114.1 | D33 Y392 A393 I394 E395 P396 | D33-Y66 HydrophobicContact CB-CE1 4.41Å; D33-Y66 WeakPolarHBondContact OD2-CE1 3.29Å; D33-Y66 PolarHBondContact OD2-OH 3.4Å; Y66-Y392 PolarHBondContact N-OH 2.79Å; Y66-Y392 WeakPolarHBondContact O-CE1 3.47Å; Y66-Y392 PolarHBondContact O-OH 2.86Å; Y66-Y392 VanDerWaalsContact O-OH 3.08Å; Y66-A393 WeakPolarHBondContact CA-O 3.47Å; Y66-A393 HydrophobicContact CD1-CB 4.26Å; Y66-A393 WeakPolarHBondContact CD1-O 3.44Å; Y66-A393 HydrophobicContact CE1-CB 4.09Å; Y66-A393 PolarHBondContact N-O 2.9Å; Y66-I394 WeakPolarHBondContact CA-O 3.28Å; Y66-I394 WeakPolarHBondContact CB-O 3.41Å; Y66-E395 VanDerWaalsContact CD1-C 3.49Å; Y66-E395 VanDerWaalsContact CE1-C 3.47Å; Y66-P396 HydrophobicContact CD1-CG 4.43Å; Y66-P396 HydrophobicContact CD2-CG 4.45Å; Y66-P396 VanDerWaalsContact CE1-CA 3.45Å; Y66-P396 HydrophobicContact CE1-CB 4.16Å; Y66-P396 HydrophobicContact CE1-CG 3.91Å; Y66-P396 VanDerWaalsContact CE1-N 3.31Å; Y66-P396 HydrophobicContact CE2-CG 3.92Å |
| 67 | R | 95.6 | Very high | 92.5 | Very high | 86 Ų | 86 | 28.8 Ų | 28.8 | 33% | 0.325 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -126.5 | 17.2 | -175.4 | -56.8 | -177.5 | -176.2 | -119.7 | 3.5 | 112.3 | V10 K65 I394 E395 Y416 | V10-R67 HydrophobicContact CG1-CB 4.31Å; V10-R67 HydrophobicContact CG1-CG 4.49Å; V10-R67 HydrophobicContact CG2-CG 4.13Å; K65-R67 PolarHBondContact O-N 2.99Å; K65-R67 VanDerWaalsContact O-N 3.1Å; R67-I394 HydrophobicContact CG-CG2 4.42Å; R67-E395 IonicContact NH2-OE1 3.95Å; R67-E395 PolarHBondContact NH2-OE1 2.92Å; R67-Y416 PolarHBondContact NH1-OH 3.18Å; R67-Y416 VanDerWaalsContact NH1-OH 3.13Å; R67-Y416 PolarHBondContact NH2-OH 3.07Å |
| 68 | K | 95.4 | Very high | 93.9 | Very high | 106 Ų | 106 | 31.3 Ų | 31.3 | 46% | 0.461 | 15% | 0.146 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 158.2 | -177.4 | 63.8 | 174.8 | -176.7 | 172.2 | 0 | 111.1 | L64 K65 W70 | L64-K68 WeakPolarHBondContact CA-O 3.26Å; K65-K68 PolarHBondContact N-O 3.32Å; K65-K68 VanDerWaalsContact N-O 3.1Å; K65-K68 PolarHBondContact O-N 2.76Å; K68-W70 PolarHBondContact O-N 2.64Å |
| 69 | V | 96.4 | Very high | 94.8 | Very high | 7 Ų | 7 | 27.2 Ų | 27.2 | 4% | 0.042 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 122.3 | 161.6 | -176.6 | 0 | 0 | 0 | 0 | 107.1 | F12 I15 L64 I127 V143 | F12-V69 HydrophobicContact CD1-CG2 4.38Å; I15-V69 HydrophobicContact CD1-CG2 3.21Å; I15-V69 HydrophobicContact CG1-CG2 4.49Å; L64-V69 HydrophobicContact CD1-CG2 4.14Å; L64-V69 HydrophobicContact CG-CG2 4.31Å; V69-I127 HydrophobicContact CB-CD1 3.92Å; V69-I127 HydrophobicContact CG2-CD1 3.71Å; V69-I127 HydrophobicContact CG2-CG2 4.36Å; V69-V143 HydrophobicContact CB-CG1 4.44Å; V69-V143 HydrophobicContact CB-CG2 4.14Å; V69-V143 HydrophobicContact CG1-CG1 3.59Å; V69-V143 HydrophobicContact CG1-CG2 4.08Å |
| 70 | W | 95.6 | Very high | 95 | Very high | 45 Ų | 45 | 28 Ų | 28 | 17% | 0.17 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | -53.7 | 179.1 | 179.2 | 30.8 | 0 | 0 | 0 | 110.6 | V28 D29 E35 V63 K65 K68 A109 D144 | V28-W70 HydrophobicContact CG2-CZ3 3.93Å; D29-W70 HydrophobicContact CB-CH2 3.73Å; D29-W70 HydrophobicContact CB-CZ3 4.2Å; D29-W70 WeakPolarHBondContact OD2-CH2 3.43Å; E35-W70 HydrophobicContact CG-CE3 4.23Å; E35-W70 HydrophobicContact CG-CZ3 4.41Å; V63-W70 HydrophobicContact CG1-CE3 3.82Å; V63-W70 HydrophobicContact CG1-CZ3 4.39Å; V63-W70 WeakPolarHBondContact O-CB 3.34Å; V63-W70 PolarHBondContact O-N 3.32Å; K65-W70 HydrophobicContact CB-CB 3.74Å; K65-W70 HydrophobicContact CB-CD2 4.31Å; K65-W70 HydrophobicContact CB-CE3 4.22Å; K65-W70 HydrophobicContact CB-CG 4.13Å; K65-W70 HydrophobicContact CD-CD2 4.08Å; K65-W70 HydrophobicContact CD-CE3 3.9Å; K65-W70 HydrophobicContact CD-CZ3 4.28Å; K68-W70 PolarHBondContact O-N 2.64Å; W70-A109 HydrophobicContact CH2-CB 4.14Å; W70-A109 HydrophobicContact CZ3-CB 3.98Å; W70-D144 PolarHBondContact O-N 2.81Å |
| 71 | K | 96.9 | Very high | 95.1 | Very high | 18 Ų | 18 | 27.6 Ų | 27.6 | 8% | 0.078 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 156.9 | 178.8 | -59.4 | -161.1 | 166.4 | -164 | 0 | 112.2 | V63 A109 G111 D144 L146 | V63-K71 HydrophobicContact CB-CB 4.41Å; V63-K71 PolarHBondContact N-O 3.13Å; V63-K71 PolarHBondContact O-N 3.16Å; K71-A109 VanDerWaalsContact CD-O 3.32Å; K71-A109 WeakPolarHBondContact CD-O 2.97Å; K71-A109 WeakPolarHBondContact CE-O 3.37Å; K71-A109 PolarHBondContact NZ-O 3.27Å; K71-G111 PolarHBondContact NZ-O 2.73Å; K71-D144 CarbonylContact C-O 3.55Å; K71-D144 WeakPolarHBondContact CA-O 3.34Å; K71-D144 HydrophobicContact CG-CB 4.11Å; K71-L146 HydrophobicContact CB-CD2 3.57Å; K71-L146 HydrophobicContact CB-CG 3.72Å; K71-L146 HydrophobicContact CD-CD2 3.94Å; K71-L146 HydrophobicContact CG-CD2 4.35Å |
| 72 | A | 95.9 | Very high | 95.2 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.008 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 155.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | V61 Y74 V143 D144 T145 L146 | V61-A72 CarbonylContact O-C 3.58Å; V61-A72 WeakPolarHBondContact O-CA 3.28Å; A72-Y74 HydrophobicContact CB-CD2 4.49Å; A72-Y74 HydrophobicContact CB-CE1 4.43Å; A72-Y74 HydrophobicContact CB-CE2 3.64Å; A72-V143 HydrophobicContact CB-CG1 3.79Å; A72-D144 PolarHBondContact N-O 2.98Å; A72-T145 CarbonylContact O-C 3.53Å; A72-T145 WeakPolarHBondContact O-CA 3.43Å; A72-L146 PolarHBondContact O-N 3.09Å |
| 73 | S | 95.3 | Very high | 95.2 | Very high | 12 Ų | 12 | 28.3 Ų | 28.3 | 8% | 0.084 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 140.9 | 163.6 | -168.5 | 0 | 0 | 0 | 0 | 108.7 | S60 V61 | S60-S73 CarbonylContact C-O 3.54Å; S60-S73 WeakPolarHBondContact CA-O 3.49Å; S60-S73 WeakPolarHBondContact CB-O 3.43Å; V61-S73 PolarHBondContact N-O 3.39Å; V61-S73 PolarHBondContact O-N 2.7Å |
| 74 | Y | 92.1 | Very high | 95.2 | Very high | 26 Ų | 26 | 28.5 Ų | 28.5 | 10% | 0.102 | 14% | 0.136 | C | C | . | . | trans | -123 | 173.8 | -177.5 | -54.6 | -86.8 | 0 | 0 | 0 | 109.3 | H62 A72 S123 | H62-Y74 AromaticContact NE2-CE1 3.7Å; H62-Y74 AromaticContact NE2-CZ 4Å; A72-Y74 HydrophobicContact CB-CD2 4.49Å; A72-Y74 HydrophobicContact CB-CE1 4.43Å; A72-Y74 HydrophobicContact CB-CE2 3.64Å; Y74-S123 WeakPolarHBondContact CE2-OG 3.25Å | ||
| 75 | H | 89 | Confident | 95.1 | Very high | 94 Ų | 94 | 28.6 Ų | 28.6 | 44% | 0.435 | 14% | 0.137 | S | C | . | . | trans | 64.5 | 31.9 | 179.8 | -41.9 | -89.1 | 0 | 0 | 0 | 114.7 | E58 G59 | E58-H75 IonicContact OE1-CE1 2.67Å; E58-H75 PolarHBondContact OE1-CE1 2.98Å; E58-H75 IonicContact OE1-CG 3.64Å; E58-H75 IonicContact OE1-ND1 3.88Å; E58-H75 PolarHBondContact OE1-ND1 3.24Å; E58-H75 IonicContact OE2-CE1 2.91Å; E58-H75 PolarHBondContact OE2-CE1 3.36Å; E58-H75 IonicContact OE2-CG 3.03Å; E58-H75 IonicContact OE2-ND1 3.68Å; E58-H75 PolarHBondContact OE2-ND1 3.4Å; E58-H75 IonicContact OE2-NE2 2.83Å; G59-H75 PolarHBondContact O-N 3.29Å | ||
| 76 | L | 90.7 | Very high | 95 | Very high | 5 Ų | 5 | 29 Ų | 29 | 3% | 0.026 | 14% | 0.141 | C | C | . | . | trans | -89.3 | -14.1 | -175.7 | -58.5 | 179.5 | 0 | 0 | 0 | 114.9 | G59 V61 V79 C99 Y105 F107 | G59-L76 PolarHBondContact O-N 3.13Å; V61-L76 HydrophobicContact CB-CD1 4.07Å; V61-L76 HydrophobicContact CG2-CD1 3.57Å; L76-V79 HydrophobicContact CB-CG2 4.05Å; L76-V79 HydrophobicContact CD1-CG2 4.36Å; L76-C99 PolarHBondContact O-SG 3.04Å; L76-Y105 HydrophobicContact CB-CD2 4.33Å; L76-Y105 HydrophobicContact CB-CE2 3.97Å; L76-Y105 HydrophobicContact CD2-CD1 4.01Å; L76-Y105 HydrophobicContact CD2-CD2 4.05Å; L76-Y105 HydrophobicContact CD2-CE1 3.97Å; L76-Y105 HydrophobicContact CD2-CE2 4.01Å; L76-Y105 HydrophobicContact CD2-CG 4.05Å; L76-Y105 WeakPolarHBondContact O-CE2 3.33Å; L76-Y105 PolarHBondContact O-OH 2.99Å; L76-F107 HydrophobicContact CD1-CE2 4.11Å; L76-F107 HydrophobicContact CD1-CZ 3.8Å; L76-F107 HydrophobicContact CD2-CZ 3.77Å; L76-F107 HydrophobicContact CG-CZ 4.45Å | ||
| 77 | G | 88.9 | Confident | 94.8 | Very high | 22 Ų | 22 | 27.1 Ų | 27.1 | 23% | 0.227 | 13% | 0.134 | C | C | . | . | trans | 89.5 | -161.6 | -170.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | G59 V79 | G59-G77 WeakPolarHBondContact CA-O 3.26Å; G59-G77 PolarHBondContact N-O 3.27Å; G77-V79 PolarHBondContact O-N 2.8Å | ||
| 78 | M | 92.5 | Very high | 94.4 | Very high | 73 Ų | 73 | 26.6 Ų | 26.6 | 36% | 0.36 | 13% | 0.132 | S | C | . | . | S | Bend | trans | -77.7 | 86.4 | -177.1 | -177.4 | 163 | 81.7 | 0 | 0 | 112.4 | W41 S80 C99 S100 | W41-M78 HydrophobicContact CB-CB 4.37Å; W41-M78 HydrophobicContact CB-CG 3.95Å; W41-M78 HydrophobicContact CD2-CB 3.97Å; W41-M78 HydrophobicContact CD2-CG 3.51Å; W41-M78 HydrophobicContact CD2-SD 3.63Å; W41-M78 HydrophobicContact CE3-CG 3.89Å; W41-M78 HydrophobicContact CE3-SD 3.53Å; W41-M78 VanDerWaalsContact CE3-SD 3.53Å; W41-M78 HydrophobicContact CG-CB 3.74Å; W41-M78 HydrophobicContact CG-CG 3.54Å; W41-M78 HydrophobicContact CG-SD 4.32Å; W41-M78 HydrophobicContact CH2-SD 3.88Å; W41-M78 HydrophobicContact CZ2-SD 3.98Å; W41-M78 HydrophobicContact CZ3-SD 3.66Å; M78-S80 PolarHBondContact O-N 3.41Å; M78-C99 CarbonylContact O-C 3.6Å; M78-C99 WeakPolarHBondContact O-CA 3.36Å; M78-S100 WeakPolarHBondContact CE-OG 3.25Å; M78-S100 PolarHBondContact O-N 3.23Å; M78-S100 PolarHBondContact O-OG 2.78Å |
| 79 | V | 95.9 | Very high | 94 | Very high | 3 Ų | 3 | 25.6 Ų | 25.6 | 2% | 0.018 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 116.5 | 175.7 | -169.6 | 0 | 0 | 0 | 0 | 109.7 | N22 V61 L76 G77 V82 A97 | N22-V79 PolarHBondContact ND2-O 2.96Å; N22-V79 PolarHBondContact OD1-O 3.32Å; V61-V79 HydrophobicContact CG2-CG1 4.39Å; V61-V79 HydrophobicContact CG2-CG2 4.49Å; L76-V79 HydrophobicContact CB-CG2 4.05Å; L76-V79 HydrophobicContact CD1-CG2 4.36Å; G77-V79 PolarHBondContact O-N 2.8Å; V79-V82 HydrophobicContact CG1-CG1 3.83Å; V79-A97 HydrophobicContact CG1-CB 4.27Å |
| 80 | S | 95.7 | Very high | 93.3 | Very high | 15 Ų | 15 | 29.5 Ų | 29.5 | 11% | 0.105 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | -37.6 | -171.8 | 62.1 | 0 | 0 | 0 | 0 | 113 | N22 M78 L98 A158 | N22-S80 PolarHBondContact OD1-O 2.86Å; M78-S80 PolarHBondContact O-N 3.41Å; S80-L98 PolarHBondContact N-O 3.12Å; S80-L98 PolarHBondContact OG-O 2.93Å; S80-A158 VanDerWaalsContact CB-O 3.26Å; S80-A158 WeakPolarHBondContact CB-O 3.45Å; S80-A158 PolarHBondContact OG-O 2.94Å; S80-A158 VanDerWaalsContact OG-O 3.1Å |
| 81 | C | 97.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 153.7 | 177.8 | 53.6 | 0 | 0 | 0 | 0 | 111 | C21 N22 L98 V161 | C21-C81 HydrophobicContact CB-CB 3.8Å; C21-C81 VanDerWaalsContact O-CA 3.23Å; C21-C81 WeakPolarHBondContact O-CA 3.42Å; N22-C81 WeakPolarHBondContact OD1-CA 3.44Å; N22-C81 PolarHBondContact OD1-N 3.05Å; N22-C81 VanDerWaalsContact OD1-N 3.1Å; C81-L98 PolarHBondContact N-O 3Å; C81-L98 PolarHBondContact O-N 3Å; C81-V161 HydrophobicContact CB-CG1 3.93Å |
| 82 | V | 98.5 | Very high | 92.4 | Very high | 6 Ų | 6 | 33.9 Ų | 33.9 | 4% | 0.036 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 148.4 | 178.7 | -56.6 | 0 | 0 | 0 | 0 | 110.9 | C21 N22 C24 I37 V61 V79 I96 A97 | C21-V82 PolarHBondContact O-N 3.01Å; N22-V82 VanDerWaalsContact C-CG2 3.45Å; N22-V82 WeakPolarHBondContact O-CG2 3.41Å; C24-V82 HydrophobicContact CB-CG2 3.97Å; I37-V82 HydrophobicContact CG2-CB 4.23Å; I37-V82 HydrophobicContact CG2-CG2 3.96Å; V61-V82 HydrophobicContact CG2-CG1 4.46Å; V79-V82 HydrophobicContact CG1-CG1 3.83Å; V82-I96 CarbonylContact C-O 3.6Å; V82-I96 VanDerWaalsContact CA-O 3.24Å; V82-I96 WeakPolarHBondContact CA-O 2.92Å; V82-A97 HydrophobicContact CG1-CB 4.12Å |
| 83 | T | 98 | Very high | 92.3 | Very high | 16 Ų | 16 | 34 Ų | 34 | 10% | 0.098 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 169.7 | 170.2 | -165.5 | 0 | 0 | 0 | 0 | 109.7 | I96 V161 I163 | T83-I96 HydrophobicContact CG2-CB 3.99Å; T83-I96 HydrophobicContact CG2-CG1 4.45Å; T83-I96 PolarHBondContact N-O 3.39Å; T83-I96 PolarHBondContact O-N 3.2Å; T83-V161 HydrophobicContact CG2-CB 4.4Å; T83-V161 HydrophobicContact CG2-CG1 3.84Å; T83-V161 HydrophobicContact CG2-CG2 3.81Å; T83-I163 HydrophobicContact CG2-CD1 3.75Å; T83-I163 HydrophobicContact CG2-CG1 4.15Å |
| 84 | A | 98 | Very high | 92.4 | Very high | 4 Ų | 4 | 33.5 Ų | 33.5 | 3% | 0.033 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 150.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y26 V28 I37 T93 W94 I95 I163 | Y26-A84 HydrophobicContact CD1-CB 3.78Å; Y26-A84 HydrophobicContact CD2-CB 4.33Å; Y26-A84 WeakPolarHBondContact CD2-O 3.5Å; Y26-A84 WeakPolarHBondContact CE2-O 3.37Å; Y26-A84 HydrophobicContact CG-CB 3.69Å; V28-A84 HydrophobicContact CG1-CB 4.15Å; I37-A84 HydrophobicContact CD1-CB 3.55Å; A84-T93 HydrophobicContact CB-CG2 4.3Å; A84-W94 VanDerWaalsContact CA-O 3.24Å; A84-W94 WeakPolarHBondContact CA-O 3.48Å; A84-I95 HydrophobicContact CB-CG1 4.35Å; A84-I163 WeakPolarHBondContact O-CG1 3.45Å |
| 85 | G | 96.3 | Very high | 92.7 | Very high | 2 Ų | 2 | 32.2 Ų | 32.2 | 2% | 0.021 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 165.6 | -178.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y26 I87 W94 | Y26-G85 WeakPolarHBondContact OH-CA 3.38Å; G85-I87 PolarHBondContact O-N 3.36Å; G85-W94 PolarHBondContact N-O 3.16Å; G85-W94 VanDerWaalsContact N-O 3.1Å; G85-W94 PolarHBondContact O-N 3.14Å |
| 86 | S | 93.8 | Very high | 93.1 | Very high | 20 Ų | 20 | 27.8 Ų | 27.8 | 14% | 0.14 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 113.7 | -179.8 | -50.9 | 0 | 0 | 0 | 0 | 111.1 | P90 E166 G167 | S86-P90 PolarHBondContact OG-O 3.43Å; S86-E166 WeakPolarHBondContact O-CA 3.37Å; S86-G167 PolarHBondContact O-N 3.15Å; S86-G167 VanDerWaalsContact O-N 3.13Å |
| 87 | I | 92.8 | Very high | 93.4 | Very high | 9 Ų | 9 | 27.5 Ų | 27.5 | 5% | 0.046 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | -59.4 | -179.7 | -63.4 | -61.6 | 0 | 0 | 0 | 111.5 | G85 W94 I96 I163 G167 I169 W183 F206 | G85-I87 PolarHBondContact O-N 3.36Å; I87-W94 HydrophobicContact CB-CB 4.46Å; I87-W94 HydrophobicContact CB-CD2 4.15Å; I87-W94 HydrophobicContact CB-CE3 3.82Å; I87-W94 HydrophobicContact CB-CG 4.44Å; I87-W94 HydrophobicContact CB-CZ3 4.46Å; I87-W94 HydrophobicContact CG1-CB 4.19Å; I87-W94 HydrophobicContact CG1-CE3 4.34Å; I87-W94 HydrophobicContact CG2-CD2 4.5Å; I87-W94 HydrophobicContact CG2-CE3 3.72Å; I87-W94 HydrophobicContact CG2-CZ3 3.92Å; I87-I96 HydrophobicContact CG1-CD1 4.38Å; I87-I163 HydrophobicContact CD1-CD1 3.63Å; I87-G167 WeakPolarHBondContact O-CA 3.39Å; I87-I169 HydrophobicContact CD1-CG2 3.69Å; I87-W183 HydrophobicContact CG2-CB 3.82Å; I87-W183 HydrophobicContact CG2-CD2 3.92Å; I87-W183 HydrophobicContact CG2-CE3 4.14Å; I87-W183 HydrophobicContact CG2-CG 3.78Å; I87-F206 HydrophobicContact CD1-CE1 4.44Å; I87-F206 HydrophobicContact CD1-CZ 4.4Å; I87-F206 HydrophobicContact CG2-CE1 3.98Å; I87-F206 HydrophobicContact CG2-CZ 3.77Å |
| 88 | Y | 87.1 | Confident | 93.9 | Very high | 74 Ų | 74 | 26.7 Ų | 26.7 | 29% | 0.29 | 14% | 0.14 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | -44.2 | -171.4 | 172.3 | -127.9 | 0 | 0 | 0 | 112.3 | W94 W183 S185 L203 | Y88-W94 VanDerWaalsContact CB-CZ2 3.46Å; Y88-W94 HydrophobicContact CD1-CZ2 4.12Å; Y88-W94 HydrophobicContact CG-CH2 4.37Å; Y88-W94 HydrophobicContact CG-CZ2 4.01Å; Y88-W183 AromaticContact CD2-NE1 3.59Å; Y88-S185 WeakPolarHBondContact CD2-OG 3.5Å; Y88-S185 WeakPolarHBondContact CE2-OG 3.42Å; Y88-L203 HydrophobicContact CD1-CD1 4.47Å; Y88-L203 HydrophobicContact CE1-CD1 4.45Å; Y88-L203 HydrophobicContact CE1-CD2 4.14Å |
| 89 | K | 86 | Confident | 94 | Very high | 86 Ų | 86 | 23.2 Ų | 23.2 | 37% | 0.374 | 12% | 0.124 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 153.1 | 174.4 | -61.7 | 175.4 | -171.4 | 146.2 | 0 | 110.5 | D91 E92 | K89-D91 WeakPolarHBondContact CB-OD1 3.41Å; K89-D91 PolarHBondContact O-N 3.39Å; K89-E92 HydrophobicContact CB-CB 4Å; K89-E92 IonicContact NZ-OE2 3.27Å; K89-E92 PolarHBondContact NZ-OE2 2.81Å; K89-E92 PolarHBondContact O-N 2.88Å |
| 90 | P | 82.4 | Confident | 93.9 | Very high | 89 Ų | 89 | 24 Ų | 24 | 58% | 0.578 | 13% | 0.129 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -33.4 | 178.1 | -24.7 | 35.1 | 0 | 0 | 0 | 113.8 | S86 | S86-P90 PolarHBondContact OG-O 3.43Š|
| 91 | D | 85.3 | Confident | 93.7 | Very high | 119 Ų | 119 | 26.4 Ų | 26.4 | 64% | 0.636 | 14% | 0.141 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | 1.8 | -177.3 | 63.7 | -36 | 0 | 0 | 0 | 114.2 | N30 K89 | N30-D91 PolarHBondContact ND2-O 3.03Å; K89-D91 WeakPolarHBondContact CB-OD1 3.41Å; K89-D91 PolarHBondContact O-N 3.39Å |
| 92 | E | 88.7 | Confident | 93.5 | Very high | 36 Ų | 36 | 26.6 Ų | 26.6 | 17% | 0.168 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 112.3 | -176.5 | -164.3 | -179 | 143.9 | 0 | 0 | 110 | K89 W94 | K89-E92 HydrophobicContact CB-CB 4Å; K89-E92 IonicContact NZ-OE2 3.27Å; K89-E92 PolarHBondContact NZ-OE2 2.81Å; K89-E92 PolarHBondContact O-N 2.88Å; E92-W94 PolarHBondContact OE1-NE1 2.83Å |
| 93 | T | 94.6 | Very high | 93.4 | Very high | 4 Ų | 4 | 28.4 Ų | 28.4 | 3% | 0.025 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 129 | 179.2 | -62.8 | 0 | 0 | 0 | 0 | 110.3 | Y26 V28 N30 A84 | Y26-T93 HydrophobicContact CD1-CG2 3.67Å; Y26-T93 HydrophobicContact CE1-CG2 3.39Å; V28-T93 HydrophobicContact CB-CG2 4.37Å; V28-T93 HydrophobicContact CG1-CG2 4.42Å; N30-T93 PolarHBondContact ND2-OG1 3.37Å; N30-T93 PolarHBondContact OD1-OG1 3.03Å; N30-T93 VanDerWaalsContact OD1-OG1 3.14Å; A84-T93 HydrophobicContact CB-CG2 4.3Å |
| 94 | W | 96 | Very high | 93.4 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 139.5 | 172.2 | -70.8 | 4.5 | 0 | 0 | 0 | 110.7 | A84 G85 I87 Y88 E92 I96 A106 F107 V149 H150 W183 L203 | A84-W94 VanDerWaalsContact CA-O 3.24Å; A84-W94 WeakPolarHBondContact CA-O 3.48Å; G85-W94 PolarHBondContact N-O 3.16Å; G85-W94 VanDerWaalsContact N-O 3.1Å; G85-W94 PolarHBondContact O-N 3.14Å; I87-W94 HydrophobicContact CB-CB 4.46Å; I87-W94 HydrophobicContact CB-CD2 4.15Å; I87-W94 HydrophobicContact CB-CE3 3.82Å; I87-W94 HydrophobicContact CB-CG 4.44Å; I87-W94 HydrophobicContact CB-CZ3 4.46Å; I87-W94 HydrophobicContact CG1-CB 4.19Å; I87-W94 HydrophobicContact CG1-CE3 4.34Å; I87-W94 HydrophobicContact CG2-CD2 4.5Å; I87-W94 HydrophobicContact CG2-CE3 3.72Å; I87-W94 HydrophobicContact CG2-CZ3 3.92Å; Y88-W94 VanDerWaalsContact CB-CZ2 3.46Å; Y88-W94 HydrophobicContact CD1-CZ2 4.12Å; Y88-W94 HydrophobicContact CG-CH2 4.37Å; Y88-W94 HydrophobicContact CG-CZ2 4.01Å; E92-W94 PolarHBondContact OE1-NE1 2.83Å; W94-I96 HydrophobicContact CB-CD1 4.3Å; W94-A106 HydrophobicContact CD2-CB 4.23Å; W94-A106 HydrophobicContact CE3-CB 3.62Å; W94-A106 HydrophobicContact CZ3-CB 4.11Å; W94-F107 WeakPolarHBondContact CA-O 3.31Å; W94-V149 HydrophobicContact CD2-CG2 3.87Å; W94-V149 HydrophobicContact CE3-CG2 4.31Å; W94-V149 HydrophobicContact CG-CG2 4.28Å; W94-V149 HydrophobicContact CH2-CG2 4.29Å; W94-V149 HydrophobicContact CZ2-CB 4.38Å; W94-V149 HydrophobicContact CZ2-CG2 3.85Å; W94-H150 HydrophobicContact CZ3-CB 4.26Å; W94-W183 AromaticContact CH2-CH2 3.76Å; W94-W183 HydrophobicContact CH2-CH2 3.76Å; W94-W183 AromaticContact CH2-CZ2 3.54Å; W94-W183 HydrophobicContact CH2-CZ2 3.54Å; W94-W183 HydrophobicContact CH2-CZ3 4.4Å; W94-W183 HydrophobicContact CZ3-CD2 4.3Å; W94-W183 HydrophobicContact CZ3-CE3 4.15Å; W94-W183 AromaticContact CZ3-CH2 3.65Å; W94-W183 HydrophobicContact CZ3-CH2 3.65Å; W94-W183 AromaticContact CZ3-CZ2 3.79Å; W94-W183 HydrophobicContact CZ3-CZ2 3.79Å; W94-W183 AromaticContact CZ3-CZ3 3.84Å; W94-W183 HydrophobicContact CZ3-CZ3 3.84Å; W94-L203 HydrophobicContact CH2-CD1 4.11Å; W94-L203 HydrophobicContact CZ2-CD1 3.83Å |
| 95 | I | 98.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 121.1 | 166.4 | -59.2 | 166.8 | 0 | 0 | 0 | 107.5 | V28 I37 V61 V63 A84 A106 F107 A109 L146 | V28-I95 HydrophobicContact CB-CD1 4.31Å; V28-I95 HydrophobicContact CB-CG1 4.36Å; V28-I95 HydrophobicContact CG1-CD1 4Å; V28-I95 HydrophobicContact CG1-CG1 3.81Å; V28-I95 HydrophobicContact CG2-CD1 4.47Å; I37-I95 HydrophobicContact CD1-CD1 4.36Å; I37-I95 HydrophobicContact CD1-CG1 3.97Å; I37-I95 HydrophobicContact CD1-CG2 4.23Å; I37-I95 HydrophobicContact CG1-CD1 4.22Å; I37-I95 HydrophobicContact CG1-CG1 4.37Å; I37-I95 HydrophobicContact CG2-CG2 3.81Å; V61-I95 HydrophobicContact CG1-CG2 4.29Å; V63-I95 HydrophobicContact CG2-CD1 3.47Å; V63-I95 VanDerWaalsContact CG2-CD1 3.47Å; A84-I95 HydrophobicContact CB-CG1 4.35Å; I95-A106 CarbonylContact O-C 3.56Å; I95-A106 VanDerWaalsContact O-CA 3.3Å; I95-A106 WeakPolarHBondContact O-CA 3.24Å; I95-F107 HydrophobicContact CB-CB 4.3Å; I95-F107 PolarHBondContact N-O 2.82Å; I95-F107 PolarHBondContact O-N 3.16Å; I95-A109 HydrophobicContact CD1-CB 4.32Å; I95-L146 HydrophobicContact CD1-CD2 4.25Å |
| 96 | I | 98 | Very high | 93.4 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 127.2 | 176 | -55.2 | -57 | 0 | 0 | 0 | 108.9 | V82 T83 I87 W94 L98 Y105 A106 F206 | V82-I96 CarbonylContact C-O 3.6Å; V82-I96 VanDerWaalsContact CA-O 3.24Å; V82-I96 WeakPolarHBondContact CA-O 2.92Å; T83-I96 HydrophobicContact CG2-CB 3.99Å; T83-I96 HydrophobicContact CG2-CG1 4.45Å; T83-I96 PolarHBondContact N-O 3.39Å; T83-I96 PolarHBondContact O-N 3.2Å; I87-I96 HydrophobicContact CG1-CD1 4.38Å; W94-I96 HydrophobicContact CB-CD1 4.3Å; I96-L98 HydrophobicContact CG2-CD2 4.23Å; I96-L98 HydrophobicContact CG2-CG 4.43Å; I96-Y105 WeakPolarHBondContact CA-O 3.49Å; I96-A106 HydrophobicContact CD1-CB 3.58Å; I96-F206 HydrophobicContact CD1-CE2 4.36Å; I96-F206 HydrophobicContact CD1-CZ 4.18Å |
| 97 | A | 98.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 123.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | V61 V79 V82 Y105 F107 | V61-A97 HydrophobicContact CG2-CB 3.66Å; V79-A97 HydrophobicContact CG1-CB 4.27Å; V82-A97 HydrophobicContact CG1-CB 4.12Å; A97-Y105 PolarHBondContact N-O 2.97Å; A97-Y105 PolarHBondContact O-N 2.74Å; A97-F107 HydrophobicContact CB-CE2 4.22Å |
| 98 | L | 98 | Very high | 93.6 | Very high | 4 Ų | 4 | 28 Ų | 28 | 2% | 0.021 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 132.5 | 177.5 | -60.4 | -176.9 | 0 | 0 | 0 | 110.4 | S80 C81 I96 C104 L154 A158 V161 V171 | S80-L98 PolarHBondContact N-O 3.12Å; S80-L98 PolarHBondContact OG-O 2.93Å; C81-L98 PolarHBondContact N-O 3Å; C81-L98 PolarHBondContact O-N 3Å; I96-L98 HydrophobicContact CG2-CD2 4.23Å; I96-L98 HydrophobicContact CG2-CG 4.43Å; L98-C104 HydrophobicContact CD2-CB 3.51Å; L98-C104 VanDerWaalsContact CD2-SG 3.51Å; L98-L154 HydrophobicContact CD2-CD1 3.98Å; L98-A158 HydrophobicContact CB-CB 3.86Å; L98-A158 HydrophobicContact CD1-CB 3.78Å; L98-A158 HydrophobicContact CG-CB 4.47Å; L98-V161 HydrophobicContact CD1-CB 3.89Å; L98-V161 HydrophobicContact CD1-CG1 4.37Å; L98-V161 HydrophobicContact CD1-CG2 4Å; L98-V171 HydrophobicContact CD1-CB 4.29Å; L98-V171 HydrophobicContact CD1-CG1 3.55Å; L98-V171 HydrophobicContact CD1-CG2 3.71Å |
| 99 | C | 95.7 | Very high | 93.8 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.007 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 152 | 176.4 | -58.1 | 0 | 0 | 0 | 0 | 111 | L76 M78 D101 S102 H103 | L76-C99 PolarHBondContact O-SG 3.04Å; M78-C99 CarbonylContact O-C 3.6Å; M78-C99 WeakPolarHBondContact O-CA 3.36Å; C99-D101 WeakPolarHBondContact CB-OD1 3.49Å; C99-D101 PolarHBondContact O-N 3.43Å; C99-S102 PolarHBondContact O-N 3.42Å; C99-S102 VanDerWaalsContact O-N 3.15Å; C99-H103 HydrophobicContact CB-CB 4.15Å; C99-H103 PolarHBondContact N-O 2.95Å |
| 100 | S | 92.6 | Very high | 94 | Very high | 19 Ų | 19 | 23.9 Ų | 23.9 | 13% | 0.133 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -24.1 | -176.4 | -59 | 0 | 0 | 0 | 0 | 112.9 | M78 S102 N157 | M78-S100 WeakPolarHBondContact CE-OG 3.25Å; M78-S100 PolarHBondContact O-N 3.23Å; M78-S100 PolarHBondContact O-OG 2.78Å; S100-S102 PolarHBondContact O-N 2.8Å; S100-N157 PolarHBondContact O-N 3.02Å |
| 101 | D | 91.5 | Very high | 94 | Very high | 65 Ų | 65 | 20 Ų | 20 | 35% | 0.348 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | 21 | 176.1 | 60.4 | -0.7 | 0 | 0 | 0 | 113.6 | C99 H103 Y156 | C99-D101 WeakPolarHBondContact CB-OD1 3.49Å; C99-D101 PolarHBondContact O-N 3.43Å; D101-H103 IonicContact OD1-CD2 3.73Å; D101-H103 PolarHBondContact OD1-CD2 3.14Å; D101-H103 IonicContact OD1-CG 3.66Å; D101-H103 IonicContact OD2-CD2 2.72Å; D101-Y156 VanDerWaalsContact O-CE1 3.3Å; D101-Y156 WeakPolarHBondContact O-CE1 3.45Å |
| 102 | S | 95.3 | Very high | 93.4 | Very high | 4 Ų | 4 | 21.8 Ų | 21.8 | 3% | 0.028 | 12% | 0.12 | C | C | . | . | S | Bend | trans | 83.6 | -10.2 | 175.7 | 79.6 | 0 | 0 | 0 | 0 | 117.3 | C99 S100 C104 E153 L154 | C99-S102 PolarHBondContact O-N 3.42Å; C99-S102 VanDerWaalsContact O-N 3.15Å; S100-S102 PolarHBondContact O-N 2.8Å; S102-C104 PolarHBondContact O-N 3.22Å; S102-E153 WeakPolarHBondContact O-CA 3.44Å; S102-L154 VanDerWaalsContact CB-O 3.27Å; S102-L154 WeakPolarHBondContact CB-O 3.33Å; S102-L154 PolarHBondContact O-N 3.4Å |
| 103 | H | 96.2 | Very high | 92.4 | Very high | 45 Ų | 45 | 21.1 Ų | 21.1 | 21% | 0.208 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 126.6 | -178 | -66.5 | -52.2 | 0 | 0 | 0 | 112.1 | C99 D101 Y105 H151 E153 | C99-H103 HydrophobicContact CB-CB 4.15Å; C99-H103 PolarHBondContact N-O 2.95Å; D101-H103 IonicContact OD1-CD2 3.73Å; D101-H103 PolarHBondContact OD1-CD2 3.14Å; D101-H103 IonicContact OD1-CG 3.66Å; D101-H103 IonicContact OD2-CD2 2.72Å; H103-Y105 HydrophobicContact CB-CD2 4.24Å; H103-Y105 HydrophobicContact CB-CE2 3.44Å; H103-Y105 VanDerWaalsContact CB-CE2 3.44Å; H103-H151 AromaticContact CE1-NE2 3.94Å; H103-H151 AromaticContact CG-NE2 3.73Å; H103-H151 AromaticContact ND1-CE1 3.73Å; H103-H151 AromaticContact ND1-NE2 3.13Å; H103-H151 PolarHBondContact ND1-NE2 2.94Å; H103-H151 VanDerWaalsContact ND1-NE2 3.13Å; H103-E153 IonicContact CE1-OE1 3.43Å |
| 104 | C | 97.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 114.8 | 171.5 | 174.6 | 0 | 0 | 0 | 0 | 108.7 | L98 S102 H151 Q152 L154 | L98-C104 HydrophobicContact CD2-CB 3.51Å; L98-C104 VanDerWaalsContact CD2-SG 3.51Å; S102-C104 PolarHBondContact O-N 3.22Å; C104-H151 WeakPolarHBondContact O-CA 3.27Å; C104-Q152 HydrophobicContact CB-CG 4.21Å; C104-Q152 WeakPolarHBondContact CB-O 3.28Å; C104-Q152 PolarHBondContact N-O 3.14Å; C104-Q152 PolarHBondContact O-N 3.01Å; C104-L154 HydrophobicContact CB-CD1 3.68Å; C104-L154 HydrophobicContact CB-CG 3.75Å |
| 105 | Y | 97.1 | Very high | 88.5 | Confident | 22 Ų | 22 | 32.3 Ų | 32.3 | 9% | 0.086 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 138 | 175.7 | -58.6 | -83.9 | 0 | 0 | 0 | 110 | L76 I96 A97 H103 F107 M148 H151 | L76-Y105 HydrophobicContact CB-CD2 4.33Å; L76-Y105 HydrophobicContact CB-CE2 3.97Å; L76-Y105 HydrophobicContact CD2-CD1 4.01Å; L76-Y105 HydrophobicContact CD2-CD2 4.05Å; L76-Y105 HydrophobicContact CD2-CE1 3.97Å; L76-Y105 HydrophobicContact CD2-CE2 4.01Å; L76-Y105 HydrophobicContact CD2-CG 4.05Å; L76-Y105 WeakPolarHBondContact O-CE2 3.33Å; L76-Y105 PolarHBondContact O-OH 2.99Å; I96-Y105 WeakPolarHBondContact CA-O 3.49Å; A97-Y105 PolarHBondContact N-O 2.97Å; A97-Y105 PolarHBondContact O-N 2.74Å; H103-Y105 HydrophobicContact CB-CD2 4.24Å; H103-Y105 HydrophobicContact CB-CE2 3.44Å; H103-Y105 VanDerWaalsContact CB-CE2 3.44Å; Y105-F107 VanDerWaalsContact CB-CE2 3.45Å; Y105-F107 HydrophobicContact CD1-CZ 4.43Å; Y105-F107 HydrophobicContact CG-CE2 4.37Å; Y105-F107 HydrophobicContact CG-CZ 4.1Å; Y105-M148 HydrophobicContact CD1-CE 3.64Å; Y105-M148 HydrophobicContact CD1-SD 3.85Å; Y105-M148 HydrophobicContact CE1-CE 3.89Å; Y105-M148 HydrophobicContact CE1-SD 4.29Å; Y105-H151 HydrophobicContact CD1-CB 4.39Å; Y105-H151 AromaticContact CD1-CD2 3.52Å; Y105-H151 AromaticContact CE1-CD2 3.25Å; Y105-H151 WeakPolarHBondContact CE1-CD2 3.24Å; Y105-H151 AromaticContact CE1-NE2 3.76Å; Y105-H151 AromaticContact CZ-CD2 3.83Å; Y105-H151 AromaticContact CZ-NE2 3.95Å |
| 106 | A | 96.5 | Very high | 86.1 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 133 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110 | W94 I95 I96 V149 H150 | W94-A106 HydrophobicContact CD2-CB 4.23Å; W94-A106 HydrophobicContact CE3-CB 3.62Å; W94-A106 HydrophobicContact CZ3-CB 4.11Å; I95-A106 CarbonylContact O-C 3.56Å; I95-A106 VanDerWaalsContact O-CA 3.3Å; I95-A106 WeakPolarHBondContact O-CA 3.24Å; I96-A106 HydrophobicContact CD1-CB 3.58Å; A106-V149 HydrophobicContact CB-CG2 4.02Å; A106-V149 WeakPolarHBondContact O-CG2 3.31Å; A106-V149 PolarHBondContact O-N 3.25Å; A106-H150 HydrophobicContact CB-CB 3.84Å; A106-H150 PolarHBondContact N-O 3.32Å; A106-H150 PolarHBondContact O-N 2.78Å |
| 107 | F | 96.4 | Very high | 83.9 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 143.4 | 178.6 | -54.5 | -84.3 | 0 | 0 | 0 | 111.6 | V61 L76 W94 I95 A97 Y105 L146 K147 M148 | V61-F107 HydrophobicContact CG2-CE2 4.45Å; L76-F107 HydrophobicContact CD1-CE2 4.11Å; L76-F107 HydrophobicContact CD1-CZ 3.8Å; L76-F107 HydrophobicContact CD2-CZ 3.77Å; L76-F107 HydrophobicContact CG-CZ 4.45Å; W94-F107 WeakPolarHBondContact CA-O 3.31Å; I95-F107 HydrophobicContact CB-CB 4.3Å; I95-F107 PolarHBondContact N-O 2.82Å; I95-F107 PolarHBondContact O-N 3.16Å; A97-F107 HydrophobicContact CB-CE2 4.22Å; Y105-F107 VanDerWaalsContact CB-CE2 3.45Å; Y105-F107 HydrophobicContact CD1-CZ 4.43Å; Y105-F107 HydrophobicContact CG-CE2 4.37Å; Y105-F107 HydrophobicContact CG-CZ 4.1Å; F107-L146 HydrophobicContact CB-CB 4.24Å; F107-L146 HydrophobicContact CB-CD2 4.48Å; F107-L146 HydrophobicContact CD1-CB 3.84Å; F107-L146 HydrophobicContact CG-CB 4.19Å; F107-L146 HydrophobicContact CG-CD1 4.36Å; F107-K147 CarbonylContact C-O 3.57Å; F107-K147 VanDerWaalsContact CA-O 3.26Å; F107-K147 WeakPolarHBondContact CA-O 3.16Å; F107-M148 HydrophobicContact CD1-CB 4.03Å; F107-M148 HydrophobicContact CD1-CG 4.45Å; F107-M148 HydrophobicContact CE1-CB 3.93Å; F107-M148 HydrophobicContact CE1-CE 4.15Å; F107-M148 HydrophobicContact CE1-CG 4.14Å |
| 108 | D | 94.3 | Very high | 81.2 | Confident | 19 Ų | 19 | 43 Ų | 43 | 10% | 0.102 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 117.7 | 168.4 | 168.1 | 8.9 | 0 | 0 | 0 | 108.3 | C110 G111 K147 V149 | D108-C110 VanDerWaalsContact C-N 3.34Å; D108-C110 WeakPolarHBondContact OD1-CA 3.47Å; D108-C110 WeakPolarHBondContact OD1-CB 3.31Å; D108-C110 PolarHBondContact OD1-N 2.83Å; D108-G111 PolarHBondContact O-N 2.8Å; D108-G111 PolarHBondContact OD1-N 2.78Å; D108-G111 WeakPolarHBondContact OD2-CA 3.29Å; D108-G111 PolarHBondContact OD2-N 2.86Å; D108-K147 PolarHBondContact N-O 3.23Å; D108-V149 HydrophobicContact CB-CG1 3.47Å; D108-V149 VanDerWaalsContact CB-CG1 3.47Å; D108-V149 HydrophobicContact CB-CG2 4.39Å |
| 109 | A | 91.7 | Very high | 78.5 | Confident | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.008 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -74.9 | -21.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | V28 W70 K71 I95 L146 | V28-A109 HydrophobicContact CB-CB 3.99Å; V28-A109 HydrophobicContact CG2-CB 3.56Å; W70-A109 HydrophobicContact CH2-CB 4.14Å; W70-A109 HydrophobicContact CZ3-CB 3.98Å; K71-A109 VanDerWaalsContact CD-O 3.32Å; K71-A109 WeakPolarHBondContact CD-O 2.97Å; K71-A109 WeakPolarHBondContact CE-O 3.37Å; K71-A109 PolarHBondContact NZ-O 3.27Å; I95-A109 HydrophobicContact CD1-CB 4.32Å; A109-L146 HydrophobicContact CB-CD2 4.37Å |
| 110 | C | 90.5 | Very high | 75.9 | Confident | 74 Ų | 74 | 54.2 Ų | 54.2 | 50% | 0.5 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -87.5 | -19.8 | 174.7 | -62.3 | 0 | 0 | 0 | 0 | 112.6 | D29 D108 | D29-C110 VanDerWaalsContact CA-SG 3.52Å; D29-C110 WeakPolarHBondContact CB-SG 3.48Å; D108-C110 VanDerWaalsContact C-N 3.34Å; D108-C110 WeakPolarHBondContact OD1-CA 3.47Å; D108-C110 WeakPolarHBondContact OD1-CB 3.31Å; D108-C110 PolarHBondContact OD1-N 2.83Å |
| 111 | G | 81.8 | Confident | 73.5 | Confident | 6 Ų | 6 | 54.2 Ų | 54.2 | 6% | 0.062 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 137.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | K71 D108 K147 | K71-G111 PolarHBondContact NZ-O 2.73Å; D108-G111 PolarHBondContact O-N 2.8Å; D108-G111 PolarHBondContact OD1-N 2.78Å; D108-G111 WeakPolarHBondContact OD2-CA 3.29Å; D108-G111 PolarHBondContact OD2-N 2.86Å; G111-K147 VanDerWaalsContact CA-CD 3.48Å |
| 112 | L | 73.4 | Confident | 70.8 | Confident | 157 Ų | 157 | 56.2 Ų | 56.2 | 82% | 0.822 | 31% | 0.307 | S | S | * | . | P | Polyproline II helix | trans | -80.7 | 127.7 | 168.6 | -64.4 | 173.6 | 0 | 0 | 0 | 110.1 | ||
| 113 | V | 66.5 | Low | 68.3 | Low | 23 Ų | 23 | 58.5 Ų | 58.5 | 14% | 0.139 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -82.9 | 131.5 | 173.1 | -179.8 | 0 | 0 | 0 | 0 | 109 | E117 T145 K147 | V113-E117 HydrophobicContact CG1-CB 3.72Å; V113-T145 HydrophobicContact CG2-CG2 4.19Å; V113-T145 WeakPolarHBondContact CG2-O 3.23Å; V113-K147 HydrophobicContact CG2-CB 3.87Å; V113-K147 HydrophobicContact CG2-CG 4.47Å |
| 114 | P | 57.8 | Low | 65.3 | Low | 65 Ų | 65 | 65.2 Ų | 65.2 | 42% | 0.422 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 141.2 | 174.4 | -20.5 | 31.4 | 0 | 0 | 0 | 111.4 | S116 E117 | P114-S116 PolarHBondContact O-N 2.91Å; P114-E117 PolarHBondContact O-N 3.16Å |
| 115 | E | 51.9 | Low | 62.5 | Low | 174 Ų | 174 | 69 Ų | 69 | 81% | 0.813 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | -24 | -177.7 | -67.7 | -178.5 | 165.7 | 0 | 0 | 114.1 | ||
| 116 | S | 48.5 | Very low | 59.5 | Low | 73 Ų | 73 | 74.9 Ų | 74.9 | 51% | 0.51 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -28.3 | 178.1 | 53.9 | 0 | 0 | 0 | 0 | 114.9 | P114 | P114-S116 PolarHBondContact O-N 2.91Š|
| 117 | E | 50.2 | Low | 56.9 | Low | 98 Ų | 98 | 75.7 Ų | 75.7 | 46% | 0.458 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -20.9 | 179.5 | -71.4 | -179 | 171.7 | 0 | 0 | 112.5 | V113 P114 I119 S120 S121 | V113-E117 HydrophobicContact CG1-CB 3.72Å; P114-E117 PolarHBondContact O-N 3.16Å; E117-I119 PolarHBondContact O-N 2.79Å; E117-S120 PolarHBondContact O-N 3.21Å; E117-S121 PolarHBondContact O-OG 2.85Å |
| 118 | N | 41.4 | Very low | 53.9 | Low | 53 Ų | 53 | 78.3 Ų | 78.3 | 28% | 0.283 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.1 | -12.7 | 178.9 | -79.4 | -27 | 0 | 0 | 0 | 114.5 | K122 | N118-K122 WeakPolarHBondContact O-CG 3.42Å |
| 119 | I | 41.1 | Very low | 51.3 | Low | 148 Ų | 148 | 80 Ų | 80 | 76% | 0.759 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -77.8 | -31 | -177.2 | -55.2 | 175.2 | 0 | 0 | 0 | 111.2 | E117 | E117-I119 PolarHBondContact O-N 2.79Å |
| 120 | S | 42.6 | Very low | 48.4 | Very low | 93 Ų | 93 | 86 Ų | 86 | 65% | 0.65 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -91.6 | -32.3 | -177.4 | -168.9 | 0 | 0 | 0 | 0 | 113.3 | E117 | E117-S120 PolarHBondContact O-N 3.21Å |
| 121 | S | 40.7 | Very low | 45.6 | Very low | 18 Ų | 18 | 85.3 Ų | 85.3 | 13% | 0.126 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -91 | -4.4 | -171.2 | 52.3 | 0 | 0 | 0 | 0 | 114.8 | E117 S123 T145 | E117-S121 PolarHBondContact O-OG 2.85Å; S121-S123 PolarHBondContact O-N 3.5Å; S121-T145 VanDerWaalsContact CB-OG1 3.25Å; S121-T145 WeakPolarHBondContact CB-OG1 3.11Å; S121-T145 PolarHBondContact OG-OG1 3.09Å |
| 122 | K | 36.2 | Very low | 43.2 | Very low | 108 Ų | 108 | 90 Ų | 90 | 47% | 0.47 | 49% | 0.494 | S | S | . | . | trans | -72.9 | 58.1 | 167.5 | -75.2 | -172.4 | 177.5 | -149.9 | 0 | 110.9 | N118 K124 E142 | N118-K122 WeakPolarHBondContact O-CG 3.42Å; K122-K124 PolarHBondContact O-N 2.92Å; K122-E142 IonicContact NZ-OE1 3.26Å; K122-E142 PolarHBondContact NZ-OE1 3.02Å; K122-E142 IonicContact NZ-OE2 2.89Å; K122-E142 PolarHBondContact NZ-OE2 2.47Å | ||
| 123 | S | 41.6 | Very low | 41.3 | Very low | 51 Ų | 51 | 88.3 Ų | 88.3 | 36% | 0.357 | 50% | 0.496 | S | S | . | . | trans | -62.4 | 106.9 | 160.9 | 60.8 | 0 | 0 | 0 | 0 | 106.8 | Y74 S121 Q125 | Y74-S123 WeakPolarHBondContact CE2-OG 3.25Å; S121-S123 PolarHBondContact O-N 3.5Å; S123-Q125 PolarHBondContact O-N 2.81Å | ||
| 124 | K | 34 | Very low | 39.5 | Very low | 186 Ų | 186 | 96.4 Ų | 96.4 | 81% | 0.809 | 53% | 0.529 | S | S | * | . | trans | -68.6 | 65.6 | 176 | -68.3 | 171.5 | -179.9 | 166.6 | 0 | 109.7 | K122 K126 | K122-K124 PolarHBondContact O-N 2.92Å; K124-K126 PolarHBondContact O-N 2.78Å | ||
| 125 | Q | 39 | Very low | 38.3 | Very low | 81 Ų | 81 | 97.7 Ų | 97.7 | 38% | 0.379 | 55% | 0.545 | S | S | . | . | trans | -71.9 | 128 | 168.4 | -87.9 | -167.9 | -3 | 0 | 0 | 109 | S123 I127 | S123-Q125 PolarHBondContact O-N 2.81Å; Q125-I127 HydrophobicContact CB-CG1 4.21Å; Q125-I127 PolarHBondContact O-N 2.92Å; Q125-I127 VanDerWaalsContact O-N 3.1Å | ||
| 126 | K | 33.7 | Very low | 37.3 | Very low | 145 Ų | 145 | 95.8 Ų | 95.8 | 63% | 0.63 | 54% | 0.541 | S | S | * | . | trans | -75.6 | 90.9 | 170.3 | -73.3 | 177.5 | 177.7 | 176.9 | 0 | 107.8 | K124 N128 | K124-K126 PolarHBondContact O-N 2.78Å; K126-N128 PolarHBondContact O-N 2.88Å | ||
| 127 | I | 41.6 | Very low | 36.2 | Very low | 17 Ų | 17 | 100.7 Ų | 100.7 | 9% | 0.087 | 56% | 0.556 | C | S | . | * | trans | -86.3 | 107.4 | 176.6 | -54.9 | 175.3 | 0 | 0 | 0 | 108.2 | I15 V69 Q125 A129 V143 | I15-I127 HydrophobicContact CD1-CD1 4.46Å; I15-I127 HydrophobicContact CD1-CG2 4.21Å; V69-I127 HydrophobicContact CB-CD1 3.92Å; V69-I127 HydrophobicContact CG2-CD1 3.71Å; V69-I127 HydrophobicContact CG2-CG2 4.36Å; Q125-I127 HydrophobicContact CB-CG1 4.21Å; Q125-I127 PolarHBondContact O-N 2.92Å; Q125-I127 VanDerWaalsContact O-N 3.1Å; I127-A129 PolarHBondContact O-N 3.13Å; I127-V143 HydrophobicContact CD1-CG2 3.49Å; I127-V143 VanDerWaalsContact CD1-CG2 3.49Å | ||
| 128 | N | 34.1 | Very low | 35.3 | Very low | 55 Ų | 55 | 100.1 Ų | 100.1 | 29% | 0.294 | 56% | 0.559 | S | S | . | * | trans | -89.4 | 96.3 | 173.1 | -73.4 | -4 | 0 | 0 | 0 | 109.3 | K126 H130 T138 | K126-N128 PolarHBondContact O-N 2.88Å; N128-H130 PolarHBondContact O-N 3.25Å; N128-T138 WeakPolarHBondContact OD1-CG2 3.37Å | ||
| 129 | A | 38.3 | Very low | 35.1 | Very low | 55 Ų | 55 | 102.6 Ų | 102.6 | 46% | 0.455 | 58% | 0.576 | S | S | . | * | B | Isolated β-bridge | trans | -79 | 98.8 | 163.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | I127 | I127-A129 PolarHBondContact O-N 3.13Å |
| 130 | H | 31.7 | Very low | 35 | Very low | 126 Ų | 126 | 102.3 Ų | 102.3 | 58% | 0.583 | 57% | 0.569 | S | S | * | * | trans | -88.7 | 107.1 | 175.4 | -110.5 | 17.6 | 0 | 0 | 0 | 109.9 | N128 | N128-H130 PolarHBondContact O-N 3.25Š| ||
| 131 | G | 31.6 | Very low | 35.6 | Very low | 59 Ų | 59 | 101.2 Ų | 101.2 | 61% | 0.608 | 56% | 0.558 | S | S | * | * | trans | -150.1 | 49.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 132 | S | 32.2 | Very low | 37 | Very low | 104 Ų | 104 | 107 Ų | 107 | 73% | 0.727 | 58% | 0.584 | S | S | * | * | S | Bend | trans | 173.1 | 144.4 | 152.3 | 48.8 | 0 | 0 | 0 | 0 | 108.8 | K134 | S132-K134 PolarHBondContact O-N 2.89Š|
| 133 | S | 31.9 | Very low | 39.4 | Very low | 123 Ų | 123 | 103.2 Ų | 103.2 | 86% | 0.86 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -64.8 | 86.2 | 179.7 | 51.3 | 0 | 0 | 0 | 0 | 111.4 | ||
| 134 | K | 30 | Very low | 41.9 | Very low | 192 Ų | 192 | 105.3 Ų | 105.3 | 84% | 0.835 | 58% | 0.576 | S | S | * | * | trans | -159.3 | 127.7 | 159.6 | -102.8 | 169.4 | -169.2 | -175.9 | 0 | 109.2 | S132 | S132-K134 PolarHBondContact O-N 2.89Š| ||
| 135 | A | 32.3 | Very low | 44.7 | Very low | 92 Ų | 92 | 97.4 Ų | 97.4 | 76% | 0.76 | 54% | 0.544 | S | S | * | . | trans | -62.5 | 137.3 | -168.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q137 | A135-Q137 PolarHBondContact O-N 3.39Š| ||
| 136 | D | 29.8 | Very low | 47.3 | Very low | 134 Ų | 134 | 93.7 Ų | 93.7 | 72% | 0.717 | 53% | 0.527 | S | S | * | . | trans | 42.8 | 60.9 | 149.5 | -66.7 | -22 | 0 | 0 | 0 | 119.6 | ||||
| 137 | Q | 26.8 | Very low | 50.2 | Low | 177 Ų | 177 | 89.7 Ų | 89.7 | 83% | 0.827 | 51% | 0.509 | S | S | * | . | trans | -109.9 | 90.6 | 148.5 | -68.8 | -172.8 | 17 | 0 | 0 | 109.4 | A135 V139 | A135-Q137 PolarHBondContact O-N 3.39Å; Q137-V139 VanDerWaalsContact C-N 3.3Å; Q137-V139 PolarHBondContact O-N 2.86Å | ||
| 138 | T | 31 | Very low | 52.7 | Low | 86 Ų | 86 | 91.5 Ų | 91.5 | 53% | 0.528 | 52% | 0.518 | S | S | . | . | trans | -68.6 | 84.9 | 169.1 | 41.3 | 0 | 0 | 0 | 0 | 109.9 | N128 K140 | N128-T138 WeakPolarHBondContact OD1-CG2 3.37Å; T138-K140 PolarHBondContact O-N 2.89Å | ||
| 139 | V | 37 | Very low | 55.5 | Low | 104 Ų | 104 | 89 Ų | 89 | 63% | 0.63 | 51% | 0.505 | S | S | * | . | trans | -72.4 | 111.8 | 167.3 | -178.6 | 0 | 0 | 0 | 0 | 107.1 | Q137 T141 | Q137-V139 VanDerWaalsContact C-N 3.3Å; Q137-V139 PolarHBondContact O-N 2.86Å; V139-T141 PolarHBondContact O-N 3.03Å | ||
| 140 | K | 39.5 | Very low | 58.2 | Low | 143 Ų | 143 | 86.8 Ų | 86.8 | 62% | 0.622 | 49% | 0.485 | S | S | * | . | trans | -67.6 | 96.5 | 170.2 | -69.7 | 178.5 | -179 | 175 | 0 | 107.8 | T138 E142 | T138-K140 PolarHBondContact O-N 2.89Å; K140-E142 PolarHBondContact O-N 2.81Å | ||
| 141 | T | 54 | Low | 61.2 | Low | 69 Ų | 69 | 83.9 Ų | 83.9 | 42% | 0.423 | 47% | 0.471 | S | S | . | . | P | Polyproline II helix | trans | -73.6 | 119.4 | 173.3 | -42.7 | 0 | 0 | 0 | 0 | 108.2 | V139 V143 | V139-T141 PolarHBondContact O-N 3.03Å; T141-V143 PolarHBondContact O-N 2.97Å |
| 142 | E | 71.3 | Confident | 64.2 | Low | 140 Ų | 140 | 82.5 Ų | 82.5 | 65% | 0.654 | 45% | 0.449 | S | S | * | . | P | Polyproline II helix | trans | -66 | 126.2 | 166.9 | -69.4 | -166.5 | 140.9 | 0 | 0 | 107.9 | K122 K140 | K122-E142 IonicContact NZ-OE1 3.26Å; K122-E142 PolarHBondContact NZ-OE1 3.02Å; K122-E142 IonicContact NZ-OE2 2.89Å; K122-E142 PolarHBondContact NZ-OE2 2.47Å; K140-E142 PolarHBondContact O-N 2.81Å |
| 143 | V | 87 | Confident | 67.3 | Low | 28 Ų | 28 | 83.5 Ų | 83.5 | 17% | 0.17 | 44% | 0.442 | C | S | . | . | P | Polyproline II helix | trans | -93.2 | 129.6 | 175.4 | 177.2 | 0 | 0 | 0 | 0 | 107.9 | V69 A72 I127 T141 | V69-V143 HydrophobicContact CB-CG1 4.44Å; V69-V143 HydrophobicContact CB-CG2 4.14Å; V69-V143 HydrophobicContact CG1-CG1 3.59Å; V69-V143 HydrophobicContact CG1-CG2 4.08Å; A72-V143 HydrophobicContact CB-CG1 3.79Å; I127-V143 HydrophobicContact CD1-CG2 3.49Å; I127-V143 VanDerWaalsContact CD1-CG2 3.49Å; T141-V143 PolarHBondContact O-N 2.97Å |
| 144 | D | 92.3 | Very high | 70.4 | Confident | 95 Ų | 95 | 78.8 Ų | 78.8 | 51% | 0.508 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 149.2 | 178.6 | -70.6 | -28.9 | 0 | 0 | 0 | 110.9 | W70 K71 A72 | W70-D144 PolarHBondContact O-N 2.81Å; K71-D144 CarbonylContact C-O 3.55Å; K71-D144 WeakPolarHBondContact CA-O 3.34Å; K71-D144 HydrophobicContact CG-CB 4.11Å; A72-D144 PolarHBondContact N-O 2.98Å |
| 145 | T | 93.5 | Very high | 73.5 | Confident | 20 Ų | 20 | 70.8 Ų | 70.8 | 12% | 0.123 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 135.7 | 178.6 | -56.8 | 0 | 0 | 0 | 0 | 110.5 | A72 V113 S121 | A72-T145 CarbonylContact O-C 3.53Å; A72-T145 WeakPolarHBondContact O-CA 3.43Å; V113-T145 HydrophobicContact CG2-CG2 4.19Å; V113-T145 WeakPolarHBondContact CG2-O 3.23Å; S121-T145 VanDerWaalsContact CB-OG1 3.25Å; S121-T145 WeakPolarHBondContact CB-OG1 3.11Å; S121-T145 PolarHBondContact OG-OG1 3.09Å |
| 146 | L | 93.9 | Very high | 76.5 | Confident | 4 Ų | 4 | 73.2 Ų | 73.2 | 2% | 0.021 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 130.4 | 168.7 | -77.7 | 170.3 | 0 | 0 | 0 | 109.8 | V61 V63 K71 A72 I95 F107 A109 M148 | V61-L146 HydrophobicContact CB-CD1 4.24Å; V61-L146 HydrophobicContact CG1-CD1 3.82Å; V63-L146 HydrophobicContact CG2-CD1 4.09Å; V63-L146 HydrophobicContact CG2-CD2 3.88Å; V63-L146 HydrophobicContact CG2-CG 4.46Å; K71-L146 HydrophobicContact CB-CD2 3.57Å; K71-L146 HydrophobicContact CB-CG 3.72Å; K71-L146 HydrophobicContact CD-CD2 3.94Å; K71-L146 HydrophobicContact CG-CD2 4.35Å; A72-L146 PolarHBondContact O-N 3.09Å; I95-L146 HydrophobicContact CD1-CD2 4.25Å; F107-L146 HydrophobicContact CB-CB 4.24Å; F107-L146 HydrophobicContact CB-CD2 4.48Å; F107-L146 HydrophobicContact CD1-CB 3.84Å; F107-L146 HydrophobicContact CG-CB 4.19Å; F107-L146 HydrophobicContact CG-CD1 4.36Å; A109-L146 HydrophobicContact CB-CD2 4.37Å; L146-M148 PolarHBondContact O-N 3.45Å |
| 147 | K | 93.5 | Very high | 79.6 | Confident | 61 Ų | 61 | 71 Ų | 71 | 27% | 0.265 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 114.9 | 177.2 | -176.9 | -165.2 | 174.9 | -165.8 | 0 | 109.6 | F107 D108 G111 V113 V149 | F107-K147 CarbonylContact C-O 3.57Å; F107-K147 VanDerWaalsContact CA-O 3.26Å; F107-K147 WeakPolarHBondContact CA-O 3.16Å; D108-K147 PolarHBondContact N-O 3.23Å; G111-K147 VanDerWaalsContact CA-CD 3.48Å; V113-K147 HydrophobicContact CG2-CB 3.87Å; V113-K147 HydrophobicContact CG2-CG 4.47Å; K147-V149 HydrophobicContact CD-CG1 4.13Å; K147-V149 HydrophobicContact CG-CG1 4.36Å; K147-V149 PolarHBondContact O-N 2.82Å |
| 148 | M | 94.4 | Very high | 82.9 | Confident | 55 Ų | 55 | 62.9 Ų | 62.9 | 27% | 0.271 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 120.7 | 170.3 | -168.8 | -174 | -56.5 | 0 | 0 | 109.2 | Y105 F107 L146 H151 I200 | Y105-M148 HydrophobicContact CD1-CE 3.64Å; Y105-M148 HydrophobicContact CD1-SD 3.85Å; Y105-M148 HydrophobicContact CE1-CE 3.89Å; Y105-M148 HydrophobicContact CE1-SD 4.29Å; F107-M148 HydrophobicContact CD1-CB 4.03Å; F107-M148 HydrophobicContact CD1-CG 4.45Å; F107-M148 HydrophobicContact CE1-CB 3.93Å; F107-M148 HydrophobicContact CE1-CE 4.15Å; F107-M148 HydrophobicContact CE1-CG 4.14Å; L146-M148 PolarHBondContact O-N 3.45Å; M148-H151 HydrophobicContact SD-CB 3.98Å; M148-I200 HydrophobicContact SD-CD1 3.9Å |
| 149 | V | 93.1 | Very high | 86 | Confident | 3 Ų | 3 | 61.3 Ų | 61.3 | 2% | 0.018 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | -21.2 | 179.3 | -68.2 | 0 | 0 | 0 | 0 | 112.6 | W94 A106 D108 K147 I200 | W94-V149 HydrophobicContact CD2-CG2 3.87Å; W94-V149 HydrophobicContact CE3-CG2 4.31Å; W94-V149 HydrophobicContact CG-CG2 4.28Å; W94-V149 HydrophobicContact CH2-CG2 4.29Å; W94-V149 HydrophobicContact CZ2-CB 4.38Å; W94-V149 HydrophobicContact CZ2-CG2 3.85Å; A106-V149 HydrophobicContact CB-CG2 4.02Å; A106-V149 WeakPolarHBondContact O-CG2 3.31Å; A106-V149 PolarHBondContact O-N 3.25Å; D108-V149 HydrophobicContact CB-CG1 3.47Å; D108-V149 VanDerWaalsContact CB-CG1 3.47Å; D108-V149 HydrophobicContact CB-CG2 4.39Å; K147-V149 HydrophobicContact CD-CG1 4.13Å; K147-V149 HydrophobicContact CG-CG1 4.36Å; K147-V149 PolarHBondContact O-N 2.82Å; V149-I200 VanDerWaalsContact O-CG2 3.31Å; V149-I200 WeakPolarHBondContact O-CG2 3.25Å |
| 150 | H | 94.3 | Very high | 88.9 | Confident | 8 Ų | 8 | 56.6 Ų | 56.6 | 4% | 0.037 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 149.6 | 176.2 | -172.4 | 61.5 | 0 | 0 | 0 | 111.9 | W94 A106 Q152 W183 G204 | W94-H150 HydrophobicContact CZ3-CB 4.26Å; A106-H150 HydrophobicContact CB-CB 3.84Å; A106-H150 PolarHBondContact N-O 3.32Å; A106-H150 PolarHBondContact O-N 2.78Å; H150-Q152 PolarHBondContact NE2-OE1 2.81Å; H150-W183 HydrophobicContact CB-CH2 4.08Å; H150-W183 HydrophobicContact CB-CZ3 4.45Å; H150-W183 AromaticContact CD2-CH2 3.75Å; H150-W183 AromaticContact CD2-CZ3 3.48Å; H150-W183 VanDerWaalsContact CD2-CZ3 3.48Å; H150-W183 WeakPolarHBondContact CD2-CZ3 3.28Å; H150-W183 AromaticContact CE1-CH2 3.82Å; H150-W183 AromaticContact CG-CH2 3.55Å; H150-W183 AromaticContact CG-CZ3 3.79Å; H150-W183 AromaticContact ND1-CH2 3.65Å; H150-W183 AromaticContact NE2-CH2 3.89Å; H150-W183 AromaticContact NE2-CZ3 3.62Å; H150-G204 PolarHBondContact CE1-O 2.85Å |
| 151 | H | 95.1 | Very high | 91.7 | Very high | 64 Ų | 64 | 50.1 Ų | 50.1 | 30% | 0.296 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 134 | 170 | 171.1 | -111 | 0 | 0 | 0 | 109.3 | H103 C104 Y105 M148 I200 | H103-H151 AromaticContact CE1-NE2 3.94Å; H103-H151 AromaticContact CG-NE2 3.73Å; H103-H151 AromaticContact ND1-CE1 3.73Å; H103-H151 AromaticContact ND1-NE2 3.13Å; H103-H151 PolarHBondContact ND1-NE2 2.94Å; H103-H151 VanDerWaalsContact ND1-NE2 3.13Å; C104-H151 WeakPolarHBondContact O-CA 3.27Å; Y105-H151 HydrophobicContact CD1-CB 4.39Å; Y105-H151 AromaticContact CD1-CD2 3.52Å; Y105-H151 AromaticContact CE1-CD2 3.25Å; Y105-H151 WeakPolarHBondContact CE1-CD2 3.24Å; Y105-H151 AromaticContact CE1-NE2 3.76Å; Y105-H151 AromaticContact CZ-CD2 3.83Å; Y105-H151 AromaticContact CZ-NE2 3.95Å; M148-H151 HydrophobicContact SD-CB 3.98Å; H151-I200 HydrophobicContact CB-CD1 4.01Å |
| 152 | Q | 95.7 | Very high | 93.7 | Very high | 30 Ų | 30 | 47.4 Ų | 47.4 | 14% | 0.14 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 166.5 | 169.4 | 66.8 | 177.7 | 82.4 | 0 | 0 | 110.9 | C104 H150 L154 F206 | C104-Q152 HydrophobicContact CB-CG 4.21Å; C104-Q152 WeakPolarHBondContact CB-O 3.28Å; C104-Q152 PolarHBondContact N-O 3.14Å; C104-Q152 PolarHBondContact O-N 3.01Å; H150-Q152 PolarHBondContact NE2-OE1 2.81Å; Q152-L154 HydrophobicContact CG-CD2 4.27Å; Q152-L154 HydrophobicContact CG-CG 4.41Å; Q152-F206 PolarHBondContact NE2-O 2.8Å |
| 153 | E | 96.3 | Very high | 94.9 | Very high | 125 Ų | 125 | 42.5 Ų | 42.5 | 58% | 0.584 | 21% | 0.21 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 133.1 | 169.2 | -66.6 | 177.6 | -179.3 | 0 | 0 | 109.9 | S102 H103 | S102-E153 WeakPolarHBondContact O-CA 3.44Å; H103-E153 IonicContact CE1-OE1 3.43Å |
| 154 | L | 96.8 | Very high | 95.3 | Very high | 24 Ų | 24 | 42.1 Ų | 42.1 | 13% | 0.126 | 21% | 0.207 | C | C | . | . | trans | -111.6 | -163 | 171.3 | -66.4 | -175.2 | 0 | 0 | 0 | 109.7 | L98 S102 C104 Q152 I169 Y181 F206 | L98-L154 HydrophobicContact CD2-CD1 3.98Å; S102-L154 VanDerWaalsContact CB-O 3.27Å; S102-L154 WeakPolarHBondContact CB-O 3.33Å; S102-L154 PolarHBondContact O-N 3.4Å; C104-L154 HydrophobicContact CB-CD1 3.68Å; C104-L154 HydrophobicContact CB-CG 3.75Å; Q152-L154 HydrophobicContact CG-CD2 4.27Å; Q152-L154 HydrophobicContact CG-CG 4.41Å; L154-I169 HydrophobicContact CD1-CD1 4.42Å; L154-Y181 HydrophobicContact CD1-CE2 4.4Å; L154-Y181 HydrophobicContact CD2-CD1 4.05Å; L154-Y181 HydrophobicContact CD2-CE1 3.72Å; L154-F206 HydrophobicContact CD2-CB 4.34Å | ||
| 155 | A | 96.2 | Very high | 95.3 | Very high | 25 Ų | 25 | 41.4 Ų | 41.4 | 21% | 0.207 | 20% | 0.199 | C | C | . | . | trans | -72 | 142.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | H173 | A155-H173 VanDerWaalsContact CB-CE1 3.49Å; A155-H173 WeakPolarHBondContact CB-CE1 3.46Å; A155-H173 PolarHBondContact O-CE1 3.5Å | ||
| 156 | Y | 95.4 | Very high | 95 | Very high | 142 Ų | 142 | 47 Ų | 47 | 56% | 0.557 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -58.1 | 164.3 | 176.5 | -66.6 | -86 | 0 | 0 | 0 | 113.2 | D101 A158 H173 | D101-Y156 VanDerWaalsContact O-CE1 3.3Å; D101-Y156 WeakPolarHBondContact O-CE1 3.45Å; Y156-A158 VanDerWaalsContact C-N 3.3Å; Y156-A158 PolarHBondContact O-N 3.09Å; Y156-H173 PolarHBondContact O-ND1 3.14Å |
| 157 | N | 93.6 | Very high | 95 | Very high | 87 Ų | 87 | 47.1 Ų | 47.1 | 47% | 0.465 | 23% | 0.226 | S | C | . | . | trans | 56.1 | 40 | 171.3 | -54.4 | -41.4 | 0 | 0 | 0 | 114.1 | S100 H173 S174 | S100-N157 PolarHBondContact O-N 3.02Å; N157-H173 WeakPolarHBondContact O-CA 3.25Å; N157-S174 WeakPolarHBondContact CB-OG 3.34Å; N157-S174 PolarHBondContact O-N 3.19Å | ||
| 158 | A | 97 | Very high | 95.1 | Very high | 8 Ų | 8 | 44.4 Ų | 44.4 | 7% | 0.066 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.2 | 141.1 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | S80 L98 Y156 V171 | S80-A158 VanDerWaalsContact CB-O 3.26Å; S80-A158 WeakPolarHBondContact CB-O 3.45Å; S80-A158 PolarHBondContact OG-O 2.94Å; S80-A158 VanDerWaalsContact OG-O 3.1Å; L98-A158 HydrophobicContact CB-CB 3.86Å; L98-A158 HydrophobicContact CD1-CB 3.78Å; L98-A158 HydrophobicContact CG-CB 4.47Å; Y156-A158 VanDerWaalsContact C-N 3.3Å; Y156-A158 PolarHBondContact O-N 3.09Å; A158-V171 HydrophobicContact CB-CG1 3.8Å |
| 159 | K | 95.9 | Very high | 95.3 | Very high | 53 Ų | 53 | 41.8 Ų | 41.8 | 23% | 0.23 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | -33.3 | -177.5 | -177.3 | 178.2 | 171.7 | -175.9 | 0 | 112 | C21 A172 N219 | C21-K159 WeakPolarHBondContact CB-O 3.43Å; C21-K159 PolarHBondContact SG-O 3.32Å; C21-K159 VanDerWaalsContact SG-O 3.39Å; K159-A172 PolarHBondContact N-O 3.01Å; K159-N219 PolarHBondContact NZ-OD1 3.32Å |
| 160 | D | 97.9 | Very high | 95.5 | Very high | 5 Ų | 5 | 41.6 Ų | 41.6 | 3% | 0.027 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 150.6 | 178.1 | -163.4 | 22.8 | 0 | 0 | 0 | 110.1 | V171 A172 R220 I221 | D160-V171 WeakPolarHBondContact O-CA 3.21Å; D160-A172 HydrophobicContact CB-CB 4.08Å; D160-A172 PolarHBondContact N-O 3.46Å; D160-A172 PolarHBondContact O-N 3.05Å; D160-R220 IonicContact OD1-CZ 3.1Å; D160-R220 IonicContact OD1-NH1 3.76Å; D160-R220 PolarHBondContact OD1-NH1 3.09Å; D160-R220 VanDerWaalsContact OD2-CA 3.22Å; D160-R220 WeakPolarHBondContact OD2-CA 3.4Å; D160-R220 WeakPolarHBondContact OD2-CD 3.24Å; D160-R220 IonicContact OD2-NH1 3.96Å; D160-I221 HydrophobicContact CB-CG1 4.18Å; D160-I221 PolarHBondContact OD2-N 2.9Å |
| 161 | V | 98.3 | Very high | 95.7 | Very high | 6 Ų | 6 | 41.3 Ų | 41.3 | 4% | 0.036 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 137 | -179.2 | 62.5 | 0 | 0 | 0 | 0 | 110.4 | C81 T83 L98 I169 A170 V171 | C81-V161 HydrophobicContact CB-CG1 3.93Å; T83-V161 HydrophobicContact CG2-CB 4.4Å; T83-V161 HydrophobicContact CG2-CG1 3.84Å; T83-V161 HydrophobicContact CG2-CG2 3.81Å; L98-V161 HydrophobicContact CD1-CB 3.89Å; L98-V161 HydrophobicContact CD1-CG1 4.37Å; L98-V161 HydrophobicContact CD1-CG2 4Å; V161-I169 HydrophobicContact CG2-CB 4.46Å; V161-A170 WeakPolarHBondContact CA-O 3.3Å; V161-V171 HydrophobicContact CG2-CG2 4.11Å |
| 162 | C | 97.2 | Very high | 95.9 | Very high | 13 Ų | 13 | 38.3 Ų | 38.3 | 9% | 0.088 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 149.4 | 170.7 | 71.2 | 0 | 0 | 0 | 0 | 110.9 | F164 A170 | C162-F164 PolarHBondContact O-N 2.92Å; C162-A170 PolarHBondContact N-O 2.84Å; C162-A170 PolarHBondContact O-N 3.16Å |
| 163 | I | 96.3 | Very high | 96 | Very high | 36 Ų | 36 | 36.9 Ų | 36.9 | 19% | 0.185 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 118.3 | 166 | -53.6 | -53.8 | 0 | 0 | 0 | 107.7 | T83 A84 I87 K165 I169 | T83-I163 HydrophobicContact CG2-CD1 3.75Å; T83-I163 HydrophobicContact CG2-CG1 4.15Å; A84-I163 WeakPolarHBondContact O-CG1 3.45Å; I87-I163 HydrophobicContact CD1-CD1 3.63Å; I163-K165 WeakPolarHBondContact CG2-O 3.33Å; I163-I169 HydrophobicContact CD1-CG2 3.57Å |
| 164 | F | 95.2 | Very high | 95.9 | Very high | 21 Ų | 21 | 33.6 Ų | 33.6 | 9% | 0.092 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | -49.2 | 177.5 | 176.5 | -118.9 | 0 | 0 | 0 | 110.8 | C162 E168 L180 T223 L231 L233 | C162-F164 PolarHBondContact O-N 2.92Å; F164-E168 PolarHBondContact N-O 2.59Å; F164-L180 HydrophobicContact CB-CD1 3.97Å; F164-L180 HydrophobicContact CD1-CD1 3.97Å; F164-L180 HydrophobicContact CD1-CD2 4.46Å; F164-L180 HydrophobicContact CG-CD1 4.21Å; F164-T223 HydrophobicContact CD2-CG2 3.77Å; F164-L231 HydrophobicContact CE2-CD2 4.38Å; F164-L231 HydrophobicContact CE2-CG 4.05Å; F164-L231 WeakPolarHBondContact CZ-O 3.31Å; F164-L231 WeakPolarHBondContact O-CD2 3.48Å; F164-L233 HydrophobicContact CD2-CB 4Å; F164-L233 HydrophobicContact CD2-CD1 4.19Å; F164-L233 HydrophobicContact CE2-CB 3.89Å |
| 165 | K | 91.1 | Very high | 95.8 | Very high | 80 Ų | 80 | 36.5 Ų | 36.5 | 35% | 0.348 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 176.6 | 171.3 | 65.2 | 170.8 | -160 | -122.9 | 0 | 109 | I163 G167 E168 | I163-K165 WeakPolarHBondContact CG2-O 3.33Å; K165-G167 PolarHBondContact O-N 3.04Å; K165-G167 VanDerWaalsContact O-N 3.12Å; K165-E168 HydrophobicContact CD-CG 4.37Å; K165-E168 WeakPolarHBondContact CD-OE2 3.21Å; K165-E168 VanDerWaalsContact CE-OE1 3.22Å; K165-E168 WeakPolarHBondContact CE-OE1 3.38Å; K165-E168 WeakPolarHBondContact CE-OE2 3.48Å; K165-E168 HydrophobicContact CG-CB 3.73Å; K165-E168 HydrophobicContact CG-CG 3.88Å; K165-E168 WeakPolarHBondContact CG-OE2 3.34Å; K165-E168 IonicContact NZ-OE1 3.38Å; K165-E168 PolarHBondContact NZ-OE1 3.3Å; K165-E168 IonicContact NZ-OE2 2.7Å; K165-E168 PolarHBondContact NZ-OE2 2.87Å; K165-E168 PolarHBondContact O-N 2.73Å; K165-E168 VanDerWaalsContact O-O 3.13Å |
| 166 | E | 88.5 | Confident | 95.8 | Very high | 136 Ų | 136 | 40.7 Ų | 40.7 | 64% | 0.636 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -49.5 | 122.7 | 173.6 | -67.6 | 179.8 | -169.2 | 0 | 0 | 110.9 | S86 E168 | S86-E166 WeakPolarHBondContact O-CA 3.37Å; E166-E168 VanDerWaalsContact C-N 3.26Å; E166-E168 PolarHBondContact O-N 2.94Å |
| 167 | G | 93.1 | Very high | 95.9 | Very high | 8 Ų | 8 | 34.2 Ų | 34.2 | 8% | 0.082 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.4 | -0 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | S86 I87 K165 S182 W183 | S86-G167 PolarHBondContact O-N 3.15Å; S86-G167 VanDerWaalsContact O-N 3.13Å; I87-G167 WeakPolarHBondContact O-CA 3.39Å; K165-G167 PolarHBondContact O-N 3.04Å; K165-G167 VanDerWaalsContact O-N 3.12Å; G167-S182 CarbonylContact O-C 3.49Å; G167-W183 WeakPolarHBondContact O-CB 3.42Å; G167-W183 PolarHBondContact O-N 3.01Å |
| 168 | E | 96.2 | Very high | 96.2 | Very high | 3 Ų | 3 | 30.1 Ų | 30.1 | 1% | 0.014 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 131.2 | 176.6 | -68 | -173.6 | 172.5 | 0 | 0 | 112.2 | F164 K165 E166 L180 Y181 L209 R247 | F164-E168 PolarHBondContact N-O 2.59Å; K165-E168 HydrophobicContact CD-CG 4.37Å; K165-E168 WeakPolarHBondContact CD-OE2 3.21Å; K165-E168 VanDerWaalsContact CE-OE1 3.22Å; K165-E168 WeakPolarHBondContact CE-OE1 3.38Å; K165-E168 WeakPolarHBondContact CE-OE2 3.48Å; K165-E168 HydrophobicContact CG-CB 3.73Å; K165-E168 HydrophobicContact CG-CG 3.88Å; K165-E168 WeakPolarHBondContact CG-OE2 3.34Å; K165-E168 IonicContact NZ-OE1 3.38Å; K165-E168 PolarHBondContact NZ-OE1 3.3Å; K165-E168 IonicContact NZ-OE2 2.7Å; K165-E168 PolarHBondContact NZ-OE2 2.87Å; K165-E168 PolarHBondContact O-N 2.73Å; K165-E168 VanDerWaalsContact O-O 3.13Å; E166-E168 VanDerWaalsContact C-N 3.26Å; E166-E168 PolarHBondContact O-N 2.94Å; E168-L180 HydrophobicContact CB-CD1 4.09Å; E168-Y181 CarbonylContact C-O 3.53Å; E168-Y181 WeakPolarHBondContact CA-O 3.29Å; E168-Y181 WeakPolarHBondContact CB-O 3.11Å; E168-L209 HydrophobicContact CG-CD1 4.4Å; E168-L209 WeakPolarHBondContact OE1-CD1 3.34Å; E168-R247 IonicContact OE1-CZ 3.42Å; E168-R247 IonicContact OE1-NE 3.59Å; E168-R247 IonicContact OE1-NH2 3.76Å; E168-R247 PolarHBondContact OE1-NH2 3.33Å; E168-R247 IonicContact OE2-NE 3.07Å |
| 169 | I | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 135.4 | 175.7 | 66.1 | 175.8 | 0 | 0 | 0 | 110.1 | I87 L154 V161 I163 V171 Y181 F206 | I87-I169 HydrophobicContact CD1-CG2 3.69Å; L154-I169 HydrophobicContact CD1-CD1 4.42Å; V161-I169 HydrophobicContact CG2-CB 4.46Å; I163-I169 HydrophobicContact CD1-CG2 3.57Å; I169-V171 HydrophobicContact CD1-CG2 4.32Å; I169-V171 HydrophobicContact CG1-CG2 4.4Å; I169-Y181 HydrophobicContact CG1-CD2 4.36Å; I169-Y181 PolarHBondContact N-O 3.34Å; I169-Y181 PolarHBondContact O-N 2.83Å; I169-F206 HydrophobicContact CD1-CD1 4.02Å; I169-F206 HydrophobicContact CD1-CD2 4.4Å; I169-F206 HydrophobicContact CD1-CE1 3.87Å; I169-F206 HydrophobicContact CD1-CE2 4.26Å; I169-F206 HydrophobicContact CD1-CG 4.29Å; I169-F206 HydrophobicContact CD1-CZ 3.98Å; I169-F206 HydrophobicContact CG1-CD1 4.08Å; I169-F206 HydrophobicContact CG1-CE1 3.98Å; I169-F206 HydrophobicContact CG2-CE1 4.04Å; I169-F206 HydrophobicContact CG2-CZ 4.35Å |
| 170 | A | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 134.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | V161 C162 R179 L180 I221 L233 | V161-A170 WeakPolarHBondContact CA-O 3.3Å; C162-A170 PolarHBondContact N-O 2.84Å; C162-A170 PolarHBondContact O-N 3.16Å; A170-R179 CarbonylContact C-O 3.53Å; A170-R179 WeakPolarHBondContact CA-O 3.5Å; A170-L180 HydrophobicContact CB-CD1 4.34Å; A170-I221 HydrophobicContact CB-CD1 3.87Å; A170-I221 VanDerWaalsContact O-CD1 3.29Å; A170-I221 WeakPolarHBondContact O-CD1 3.43Å; A170-L233 HydrophobicContact CB-CD1 3.67Å; A170-L233 HydrophobicContact CB-CD2 3.65Å; A170-L233 HydrophobicContact CB-CG 4.34Å |
| 171 | V | 98.6 | Very high | 96.4 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.006 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 123.6 | -178.5 | -174.3 | 0 | 0 | 0 | 0 | 109 | L98 A158 D160 V161 I169 H173 V178 R179 Y181 | L98-V171 HydrophobicContact CD1-CB 4.29Å; L98-V171 HydrophobicContact CD1-CG1 3.55Å; L98-V171 HydrophobicContact CD1-CG2 3.71Å; A158-V171 HydrophobicContact CB-CG1 3.8Å; D160-V171 WeakPolarHBondContact O-CA 3.21Å; V161-V171 HydrophobicContact CG2-CG2 4.11Å; I169-V171 HydrophobicContact CD1-CG2 4.32Å; I169-V171 HydrophobicContact CG1-CG2 4.4Å; V171-H173 PolarHBondContact O-CD2 2.72Å; V171-V178 CarbonylContact O-C 3.57Å; V171-V178 WeakPolarHBondContact O-CA 3.34Å; V171-R179 PolarHBondContact N-O 3.16Å; V171-R179 PolarHBondContact O-N 3Å; V171-Y181 HydrophobicContact CB-CE2 4.24Å; V171-Y181 HydrophobicContact CG2-CD2 3.96Å; V171-Y181 HydrophobicContact CG2-CE2 3.96Å |
| 172 | A | 98.3 | Very high | 96.3 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.008 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 139.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | K159 D160 V178 V218 I221 | K159-A172 PolarHBondContact N-O 3.01Å; D160-A172 HydrophobicContact CB-CB 4.08Å; D160-A172 PolarHBondContact N-O 3.46Å; D160-A172 PolarHBondContact O-N 3.05Å; A172-V178 HydrophobicContact CB-CG2 4.16Å; A172-V218 HydrophobicContact CB-CB 4.43Å; A172-V218 HydrophobicContact CB-CG1 3.76Å; A172-I221 HydrophobicContact CB-CD1 4.08Å; A172-I221 HydrophobicContact CB-CG1 4.12Å; A172-I221 HydrophobicContact CB-CG2 3.81Å |
| 173 | H | 97.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 159.8 | -177.4 | -62.1 | -98.8 | 0 | 0 | 0 | 111.3 | A155 Y156 N157 V171 D175 V177 R179 | A155-H173 VanDerWaalsContact CB-CE1 3.49Å; A155-H173 WeakPolarHBondContact CB-CE1 3.46Å; A155-H173 PolarHBondContact O-CE1 3.5Å; Y156-H173 PolarHBondContact O-ND1 3.14Å; N157-H173 WeakPolarHBondContact O-CA 3.25Å; V171-H173 PolarHBondContact O-CD2 2.72Å; H173-D175 WeakPolarHBondContact CB-OD1 3.49Å; H173-D175 PolarHBondContact O-N 2.63Å; H173-V177 PolarHBondContact N-O 2.8Å; H173-R179 PolarHBondContact CD2-NH1 2.72Å; H173-R179 PolarHBondContact CE1-NH1 3.3Å; H173-R179 VanDerWaalsContact CG-NH1 3.26Å; H173-R179 PolarHBondContact NE2-NH1 2.71Å |
| 174 | S | 94.9 | Very high | 96.1 | Very high | 55 Ų | 55 | 30.7 Ų | 30.7 | 39% | 0.385 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -9.8 | 178.6 | 65.1 | 0 | 0 | 0 | 0 | 114.6 | N157 R176 Q217 | N157-S174 WeakPolarHBondContact CB-OG 3.34Å; N157-S174 PolarHBondContact O-N 3.19Å; S174-R176 VanDerWaalsContact C-N 3.33Å; S174-Q217 PolarHBondContact O-NE2 3.42Å; S174-Q217 PolarHBondContact O-OE1 3.09Å; S174-Q217 VanDerWaalsContact O-OE1 3.07Å |
| 175 | D | 94.8 | Very high | 95.8 | Very high | 85 Ų | 85 | 32.5 Ų | 32.5 | 46% | 0.455 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 21.5 | 179.8 | 67.2 | -12 | 0 | 0 | 0 | 113.1 | H173 V177 | H173-D175 WeakPolarHBondContact CB-OD1 3.49Å; H173-D175 PolarHBondContact O-N 2.63Å; D175-V177 PolarHBondContact O-N 3.06Å; D175-V177 VanDerWaalsContact OD1-CB 3.32Å; D175-V177 WeakPolarHBondContact OD1-CB 3.25Å; D175-V177 WeakPolarHBondContact OD1-CG2 3.22Å; D175-V177 PolarHBondContact OD1-N 3.27Å |
| 176 | R | 96 | Very high | 95.5 | Very high | 114 Ų | 114 | 32.9 Ų | 32.9 | 43% | 0.43 | 17% | 0.171 | S | C | . | . | S | Bend | trans | 65.5 | 20.2 | -179 | -42.9 | 178.2 | -174.4 | 174.1 | 5.4 | 113.9 | S174 L214 A215 | S174-R176 VanDerWaalsContact C-N 3.33Å; R176-L214 WeakPolarHBondContact CB-O 3.24Å; R176-L214 WeakPolarHBondContact O-CD1 3.33Å; R176-L214 PolarHBondContact O-N 2.89Å; R176-A215 PolarHBondContact NH1-O 3.24Å |
| 177 | V | 97.9 | Very high | 94.7 | Very high | 6 Ų | 6 | 35.7 Ų | 35.7 | 4% | 0.036 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 139.8 | 178.3 | -177.3 | 0 | 0 | 0 | 0 | 110.7 | H173 D175 R179 K211 W212 E213 | H173-V177 PolarHBondContact N-O 2.8Å; D175-V177 PolarHBondContact O-N 3.06Å; D175-V177 VanDerWaalsContact OD1-CB 3.32Å; D175-V177 WeakPolarHBondContact OD1-CB 3.25Å; D175-V177 WeakPolarHBondContact OD1-CG2 3.22Å; D175-V177 PolarHBondContact OD1-N 3.27Å; V177-R179 HydrophobicContact CG1-CG 3.89Å; V177-K211 HydrophobicContact CG1-CD 4.19Å; V177-K211 HydrophobicContact CG1-CG 3.49Å; V177-K211 VanDerWaalsContact CG1-CG 3.49Å; V177-W212 WeakPolarHBondContact CA-O 3.13Å; V177-W212 WeakPolarHBondContact CG1-O 3.44Å; V177-E213 HydrophobicContact CG2-CG 4.3Å |
| 178 | V | 98.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 131.4 | 163.7 | -179.8 | 0 | 0 | 0 | 0 | 108.8 | V171 A172 K211 W212 L214 V218 I221 L233 A235 L245 | V171-V178 CarbonylContact O-C 3.57Å; V171-V178 WeakPolarHBondContact O-CA 3.34Å; A172-V178 HydrophobicContact CB-CG2 4.16Å; V178-K211 CarbonylContact O-C 3.57Å; V178-K211 WeakPolarHBondContact O-CA 3.4Å; V178-W212 HydrophobicContact CB-CE3 4.35Å; V178-W212 HydrophobicContact CG1-CE3 4.24Å; V178-W212 PolarHBondContact N-O 3.21Å; V178-W212 PolarHBondContact O-N 2.95Å; V178-L214 HydrophobicContact CB-CD1 4.34Å; V178-L214 HydrophobicContact CG2-CD1 3.87Å; V178-V218 HydrophobicContact CG2-CG1 4.16Å; V178-V218 HydrophobicContact CG2-CG2 4.22Å; V178-I221 HydrophobicContact CG1-CG2 4.39Å; V178-I221 HydrophobicContact CG2-CG2 3.95Å; V178-L233 HydrophobicContact CG1-CD2 4.13Å; V178-A235 HydrophobicContact CG2-CB 4.37Å; V178-L245 HydrophobicContact CB-CD1 3.67Å; V178-L245 HydrophobicContact CG1-CD1 3.59Å; V178-L245 HydrophobicContact CG2-CD1 3.93Å |
| 179 | R | 98.4 | Very high | 90.9 | Very high | 30 Ų | 30 | 46.9 Ų | 46.9 | 11% | 0.113 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 129.7 | 178.9 | -67.1 | -178.2 | -179.2 | 78.7 | 0.7 | 109.7 | A170 V171 H173 V177 Y181 L208 I210 K211 | A170-R179 CarbonylContact C-O 3.53Å; A170-R179 WeakPolarHBondContact CA-O 3.5Å; V171-R179 PolarHBondContact N-O 3.16Å; V171-R179 PolarHBondContact O-N 3Å; H173-R179 PolarHBondContact CD2-NH1 2.72Å; H173-R179 PolarHBondContact CE1-NH1 3.3Å; H173-R179 VanDerWaalsContact CG-NH1 3.26Å; H173-R179 PolarHBondContact NE2-NH1 2.71Å; V177-R179 HydrophobicContact CG1-CG 3.89Å; R179-Y181 HydrophobicContact CB-CD2 4.14Å; R179-Y181 HydrophobicContact CB-CE2 3.43Å; R179-Y181 VanDerWaalsContact CB-CE2 3.43Å; R179-Y181 WeakPolarHBondContact CD-OH 3.34Å; R179-Y181 HydrophobicContact CG-CE2 4.44Å; R179-L208 HydrophobicContact CB-CD1 3.73Å; R179-L208 HydrophobicContact CG-CD1 3.96Å; R179-I210 CarbonylContact C-O 3.54Å; R179-I210 WeakPolarHBondContact CA-O 3.34Å; R179-K211 HydrophobicContact CG-CB 4.49Å; R179-K211 HydrophobicContact CG-CG 4.19Å |
| 180 | L | 98.3 | Very high | 88.5 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 123.7 | 168.7 | -178.8 | 68 | 0 | 0 | 0 | 108.5 | F164 E168 A170 L209 I210 W212 R247 | F164-L180 HydrophobicContact CB-CD1 3.97Å; F164-L180 HydrophobicContact CD1-CD1 3.97Å; F164-L180 HydrophobicContact CD1-CD2 4.46Å; F164-L180 HydrophobicContact CG-CD1 4.21Å; E168-L180 HydrophobicContact CB-CD1 4.09Å; A170-L180 HydrophobicContact CB-CD1 4.34Å; L180-L209 HydrophobicContact CD2-CB 4.45Å; L180-L209 HydrophobicContact CD2-CD1 4.24Å; L180-L209 HydrophobicContact CG-CB 4.43Å; L180-L209 HydrophobicContact CG-CD1 4.43Å; L180-L209 WeakPolarHBondContact O-CB 3.38Å; L180-L209 PolarHBondContact O-N 3.43Å; L180-I210 HydrophobicContact CB-CB 4.45Å; L180-I210 PolarHBondContact N-O 2.78Å; L180-I210 PolarHBondContact O-N 2.83Å; L180-W212 HydrophobicContact CB-CH2 3.82Å; L180-W212 HydrophobicContact CB-CZ3 3.65Å; L180-W212 HydrophobicContact CD2-CH2 4.15Å; L180-R247 HydrophobicContact CD2-CG 4.49Å |
| 181 | Y | 98.1 | Very high | 85.8 | Confident | 13 Ų | 13 | 60.3 Ų | 60.3 | 5% | 0.051 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 147.7 | 174.3 | -62.2 | -90.8 | 0 | 0 | 0 | 110.2 | L154 E168 I169 V171 R179 F206 I207 L208 | L154-Y181 HydrophobicContact CD1-CE2 4.4Å; L154-Y181 HydrophobicContact CD2-CD1 4.05Å; L154-Y181 HydrophobicContact CD2-CE1 3.72Å; E168-Y181 CarbonylContact C-O 3.53Å; E168-Y181 WeakPolarHBondContact CA-O 3.29Å; E168-Y181 WeakPolarHBondContact CB-O 3.11Å; I169-Y181 HydrophobicContact CG1-CD2 4.36Å; I169-Y181 PolarHBondContact N-O 3.34Å; I169-Y181 PolarHBondContact O-N 2.83Å; V171-Y181 HydrophobicContact CB-CE2 4.24Å; V171-Y181 HydrophobicContact CG2-CD2 3.96Å; V171-Y181 HydrophobicContact CG2-CE2 3.96Å; R179-Y181 HydrophobicContact CB-CD2 4.14Å; R179-Y181 HydrophobicContact CB-CE2 3.43Å; R179-Y181 VanDerWaalsContact CB-CE2 3.43Å; R179-Y181 WeakPolarHBondContact CD-OH 3.34Å; R179-Y181 HydrophobicContact CG-CE2 4.44Å; Y181-F206 HydrophobicContact CD1-CB 4.46Å; Y181-I207 CarbonylContact C-O 3.49Å; Y181-I207 VanDerWaalsContact CA-O 3.27Å; Y181-I207 WeakPolarHBondContact CA-O 3.45Å; Y181-L208 HydrophobicContact CD1-CB 4.08Å; Y181-L208 HydrophobicContact CD1-CD1 4.3Å; Y181-L208 HydrophobicContact CE1-CB 3.92Å; Y181-L208 HydrophobicContact CE1-CD1 3.95Å |
| 182 | S | 96.5 | Very high | 83.3 | Confident | 24 Ų | 24 | 70 Ų | 70 | 17% | 0.168 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 134.4 | 170.9 | -175.5 | 0 | 0 | 0 | 0 | 110.1 | G167 F206 I207 | G167-S182 CarbonylContact O-C 3.49Å; S182-F206 WeakPolarHBondContact O-CA 3.45Å; S182-I207 PolarHBondContact N-O 3.44Å; S182-I207 PolarHBondContact O-N 3.35Å |
| 183 | W | 96.1 | Very high | 80.6 | Confident | 17 Ų | 17 | 75.3 Ų | 75.3 | 6% | 0.064 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 131.4 | 168.7 | -172.9 | -101.7 | 0 | 0 | 0 | 110 | I87 Y88 W94 H150 G167 S185 L203 G204 F206 | I87-W183 HydrophobicContact CG2-CB 3.82Å; I87-W183 HydrophobicContact CG2-CD2 3.92Å; I87-W183 HydrophobicContact CG2-CE3 4.14Å; I87-W183 HydrophobicContact CG2-CG 3.78Å; Y88-W183 AromaticContact CD2-NE1 3.59Å; W94-W183 AromaticContact CH2-CH2 3.76Å; W94-W183 HydrophobicContact CH2-CH2 3.76Å; W94-W183 AromaticContact CH2-CZ2 3.54Å; W94-W183 HydrophobicContact CH2-CZ2 3.54Å; W94-W183 HydrophobicContact CH2-CZ3 4.4Å; W94-W183 HydrophobicContact CZ3-CD2 4.3Å; W94-W183 HydrophobicContact CZ3-CE3 4.15Å; W94-W183 AromaticContact CZ3-CH2 3.65Å; W94-W183 HydrophobicContact CZ3-CH2 3.65Å; W94-W183 AromaticContact CZ3-CZ2 3.79Å; W94-W183 HydrophobicContact CZ3-CZ2 3.79Å; W94-W183 AromaticContact CZ3-CZ3 3.84Å; W94-W183 HydrophobicContact CZ3-CZ3 3.84Å; H150-W183 HydrophobicContact CB-CH2 4.08Å; H150-W183 HydrophobicContact CB-CZ3 4.45Å; H150-W183 AromaticContact CD2-CH2 3.75Å; H150-W183 AromaticContact CD2-CZ3 3.48Å; H150-W183 VanDerWaalsContact CD2-CZ3 3.48Å; H150-W183 WeakPolarHBondContact CD2-CZ3 3.28Å; H150-W183 AromaticContact CE1-CH2 3.82Å; H150-W183 AromaticContact CG-CH2 3.55Å; H150-W183 AromaticContact CG-CZ3 3.79Å; H150-W183 AromaticContact ND1-CH2 3.65Å; H150-W183 AromaticContact NE2-CH2 3.89Å; H150-W183 AromaticContact NE2-CZ3 3.62Å; G167-W183 WeakPolarHBondContact O-CB 3.42Å; G167-W183 PolarHBondContact O-N 3.01Å; W183-S185 PolarHBondContact NE1-OG 3.08Å; W183-S185 VanDerWaalsContact NE1-OG 3.12Å; W183-L203 HydrophobicContact CZ2-CB 3.98Å; W183-G204 VanDerWaalsContact CH2-C 3.47Å; W183-G204 WeakPolarHBondContact CH2-O 3.45Å; W183-G204 VanDerWaalsContact CZ2-CA 3.48Å; W183-F206 HydrophobicContact CB-CD1 4.25Å; W183-F206 HydrophobicContact CB-CE1 4.07Å; W183-F206 AromaticContact CE3-CD1 3.94Å; W183-F206 HydrophobicContact CE3-CD1 3.94Å; W183-F206 AromaticContact CE3-CD2 3.75Å; W183-F206 HydrophobicContact CE3-CD2 3.75Å; W183-F206 AromaticContact CE3-CE1 3.85Å; W183-F206 HydrophobicContact CE3-CE1 3.85Å; W183-F206 AromaticContact CE3-CE2 3.65Å; W183-F206 HydrophobicContact CE3-CE2 3.65Å; W183-F206 AromaticContact CE3-CG 3.89Å; W183-F206 HydrophobicContact CE3-CG 3.89Å; W183-F206 AromaticContact CE3-CZ 3.71Å; W183-F206 HydrophobicContact CE3-CZ 3.71Å; W183-F206 AromaticContact CZ3-CD2 3.84Å; W183-F206 HydrophobicContact CZ3-CD2 3.84Å; W183-F206 AromaticContact CZ3-CE2 3.78Å; W183-F206 HydrophobicContact CZ3-CE2 3.78Å; W183-F206 HydrophobicContact CZ3-CG 4.37Å; W183-F206 HydrophobicContact CZ3-CZ 4.27Å |
| 184 | C | 93.8 | Very high | 78 | Confident | 49 Ų | 49 | 85.2 Ų | 85.2 | 33% | 0.331 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 105.4 | 175.4 | -77.1 | 0 | 0 | 0 | 0 | 108.7 | G204 E205 I207 | C184-G204 CarbonylContact O-C 3.44Å; C184-G204 WeakPolarHBondContact O-CA 3.31Å; C184-E205 PolarHBondContact N-O 2.87Å; C184-E205 PolarHBondContact O-N 3.03Å; C184-I207 HydrophobicContact CB-CD1 3.55Å; C184-I207 HydrophobicContact CB-CG1 3.95Å; C184-I207 WeakPolarHBondContact SG-CD1 3.37Å |
| 185 | S | 89.3 | Confident | 75.4 | Confident | 59 Ų | 59 | 89.6 Ų | 89.6 | 41% | 0.413 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 135.2 | -179.7 | -52.5 | 0 | 0 | 0 | 0 | 111.5 | Y88 W183 L203 | Y88-S185 WeakPolarHBondContact CD2-OG 3.5Å; Y88-S185 WeakPolarHBondContact CE2-OG 3.42Å; W183-S185 PolarHBondContact NE1-OG 3.08Å; W183-S185 VanDerWaalsContact NE1-OG 3.12Å; S185-L203 CarbonylContact C-O 3.58Å; S185-L203 VanDerWaalsContact CA-O 3.25Å; S185-L203 WeakPolarHBondContact CA-O 3.44Å |
| 186 | F | 85.1 | Confident | 72.6 | Confident | 87 Ų | 87 | 93.2 Ų | 93.2 | 38% | 0.382 | 48% | 0.478 | S | S | . | . | P | Polyproline II helix | trans | -74.6 | 130.1 | 170.9 | -60.9 | -49 | 0 | 0 | 0 | 109.3 | T188 N202 L203 G204 E205 | F186-T188 PolarHBondContact O-N 3Å; F186-N202 WeakPolarHBondContact CD2-OD1 3.37Å; F186-N202 WeakPolarHBondContact CE2-OD1 3.22Å; F186-L203 PolarHBondContact N-O 2.89Å; F186-G204 VanDerWaalsContact CD2-CA 3.47Å; F186-E205 HydrophobicContact CE1-CG 4.33Å; F186-E205 HydrophobicContact CZ-CB 4.16Å; F186-E205 HydrophobicContact CZ-CG 3.81Å |
| 187 | K | 72.1 | Confident | 69.8 | Low | 196 Ų | 196 | 92 Ų | 92 | 85% | 0.852 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -63.5 | 124.2 | 171.5 | -67.3 | -176.6 | -179.2 | 179.8 | 0 | 107.5 | T189 | K187-T189 VanDerWaalsContact C-N 3.3Å; K187-T189 PolarHBondContact O-N 2.92Å |
| 188 | T | 59.8 | Low | 67.1 | Low | 129 Ų | 129 | 98.8 Ų | 98.8 | 79% | 0.791 | 52% | 0.523 | S | S | * | . | trans | -62.9 | 96.3 | 166.2 | 49.9 | 0 | 0 | 0 | 0 | 107.5 | F186 D190 | F186-T188 PolarHBondContact O-N 3Å; T188-D190 PolarHBondContact O-N 2.82Å | ||
| 189 | T | 49.2 | Very low | 64.8 | Low | 116 Ų | 116 | 106.7 Ų | 106.7 | 71% | 0.712 | 56% | 0.558 | S | S | * | * | trans | -62.2 | 123.8 | 164.7 | 42.7 | 0 | 0 | 0 | 0 | 107.1 | K187 D191 | K187-T189 VanDerWaalsContact C-N 3.3Å; K187-T189 PolarHBondContact O-N 2.92Å; T189-D191 PolarHBondContact O-N 2.93Å | ||
| 190 | D | 46.1 | Very low | 62.8 | Low | 161 Ų | 161 | 108.7 Ų | 108.7 | 86% | 0.861 | 57% | 0.57 | S | S | * | * | trans | -62.3 | 76.2 | 172.3 | -80.1 | -36.1 | 0 | 0 | 0 | 110 | T188 | T188-D190 PolarHBondContact O-N 2.82Š| ||
| 191 | D | 42.2 | Very low | 61 | Low | 122 Ų | 122 | 111.5 Ų | 111.5 | 65% | 0.652 | 59% | 0.589 | S | S | * | * | trans | -149.5 | 102.4 | 173.4 | -94 | -37.2 | 0 | 0 | 0 | 110.1 | T189 S193 | T189-D191 PolarHBondContact O-N 2.93Å; D191-S193 PolarHBondContact O-N 2.89Å; D191-S193 PolarHBondContact O-OG 3Å | ||
| 192 | K | 47.1 | Very low | 59.7 | Low | 204 Ų | 204 | 116.4 Ų | 116.4 | 89% | 0.887 | 62% | 0.617 | S | S | * | * | S | Bend | trans | 21.9 | 9 | 145.8 | -67.2 | -179.2 | 179.7 | 173.2 | 0 | 122.6 | K194 | K192-K194 PolarHBondContact O-N 2.81Å; K192-K194 VanDerWaalsContact O-N 3.15Å |
| 193 | S | 41.9 | Very low | 59.1 | Low | 113 Ų | 113 | 117.2 Ų | 117.2 | 79% | 0.79 | 62% | 0.619 | S | S | * | * | trans | -88.7 | 50.8 | 169.4 | 66.2 | 0 | 0 | 0 | 0 | 110.7 | D191 I195 | D191-S193 PolarHBondContact O-N 2.89Å; D191-S193 PolarHBondContact O-OG 3Å; S193-I195 VanDerWaalsContact C-N 3.33Å | ||
| 194 | K | 41.7 | Very low | 59 | Low | 209 Ų | 209 | 116.4 Ų | 116.4 | 91% | 0.909 | 62% | 0.616 | S | S | * | * | trans | -89.2 | 8.4 | 172.1 | -101.8 | -175.2 | 179.2 | 178.1 | 0 | 113.4 | K192 | K192-K194 PolarHBondContact O-N 2.81Å; K192-K194 VanDerWaalsContact O-N 3.15Å | ||
| 195 | I | 41.2 | Very low | 59 | Low | 146 Ų | 146 | 118.2 Ų | 118.2 | 75% | 0.749 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -112.7 | -10.1 | -165.5 | -59 | -177.1 | 0 | 0 | 0 | 115.1 | S193 | S193-I195 VanDerWaalsContact C-N 3.33Š|
| 196 | L | 35 | Very low | 59.4 | Low | 162 Ų | 162 | 115.8 Ų | 115.8 | 85% | 0.848 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -140.1 | 90.3 | 175.6 | -102.7 | 97.3 | 0 | 0 | 0 | 113 | ||
| 197 | S | 37.5 | Very low | 59.9 | Low | 88 Ų | 88 | 115 Ų | 115 | 62% | 0.615 | 60% | 0.6 | S | S | * | * | 158.2 | 130 | 122.4 | 54.5 | 0 | 0 | 0 | 0 | 110.2 | K199 | S197-K199 PolarHBondContact O-N 2.85Š| |||
| 198 | N | 41.8 | Very low | 61.2 | Low | 148 Ų | 148 | 109.7 Ų | 109.7 | 79% | 0.791 | 58% | 0.581 | S | S | * | * | trans | -65.2 | 34.5 | 163.4 | -81.5 | -9.3 | 0 | 0 | 0 | 112 | ||||
| 199 | K | 50.5 | Low | 62.9 | Low | 167 Ų | 167 | 106.4 Ų | 106.4 | 73% | 0.726 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -93.7 | 136.9 | 177.7 | -82.6 | -179.9 | 170.9 | -176.6 | 0 | 108 | S197 S201 | S197-K199 PolarHBondContact O-N 2.85Å; K199-S201 PolarHBondContact O-N 3.42Å |
| 200 | I | 56.3 | Low | 65.2 | Low | 72 Ų | 72 | 101.3 Ų | 101.3 | 37% | 0.369 | 53% | 0.527 | S | S | . | . | trans | -13.8 | 114.8 | 166.6 | -61.4 | 166.8 | 0 | 0 | 0 | 110 | M148 V149 H151 N202 | M148-I200 HydrophobicContact SD-CD1 3.9Å; V149-I200 VanDerWaalsContact O-CG2 3.31Å; V149-I200 WeakPolarHBondContact O-CG2 3.25Å; H151-I200 HydrophobicContact CB-CD1 4.01Å; I200-N202 PolarHBondContact O-N 3.34Å | ||
| 201 | S | 59.3 | Low | 67.6 | Low | 59 Ų | 59 | 97.4 Ų | 97.4 | 41% | 0.413 | 50% | 0.502 | S | S | . | . | trans | -51.9 | 111.1 | 177.8 | 44.7 | 0 | 0 | 0 | 0 | 108.1 | K199 L203 | K199-S201 PolarHBondContact O-N 3.42Å; S201-L203 WeakPolarHBondContact O-CG 3.16Å; S201-L203 PolarHBondContact O-N 3.01Å | ||
| 202 | N | 71.6 | Confident | 70.3 | Confident | 117 Ų | 117 | 91.7 Ų | 91.7 | 63% | 0.626 | 47% | 0.471 | S | S | * | . | trans | -73.5 | 79.7 | -177.4 | -168 | 11.2 | 0 | 0 | 0 | 108.9 | F186 I200 | F186-N202 WeakPolarHBondContact CD2-OD1 3.37Å; F186-N202 WeakPolarHBondContact CE2-OD1 3.22Å; I200-N202 PolarHBondContact O-N 3.34Å | ||
| 203 | L | 84.3 | Confident | 72.7 | Confident | 40 Ų | 40 | 88 Ų | 88 | 21% | 0.209 | 46% | 0.457 | C | S | . | . | trans | -77.6 | -24.9 | -173.7 | -70.2 | 169.6 | 0 | 0 | 0 | 112 | Y88 W94 W183 S185 F186 S201 | Y88-L203 HydrophobicContact CD1-CD1 4.47Å; Y88-L203 HydrophobicContact CE1-CD1 4.45Å; Y88-L203 HydrophobicContact CE1-CD2 4.14Å; W94-L203 HydrophobicContact CH2-CD1 4.11Å; W94-L203 HydrophobicContact CZ2-CD1 3.83Å; W183-L203 HydrophobicContact CZ2-CB 3.98Å; S185-L203 CarbonylContact C-O 3.58Å; S185-L203 VanDerWaalsContact CA-O 3.25Å; S185-L203 WeakPolarHBondContact CA-O 3.44Å; F186-L203 PolarHBondContact N-O 2.89Å; S201-L203 WeakPolarHBondContact O-CG 3.16Å; S201-L203 PolarHBondContact O-N 3.01Å | ||
| 204 | G | 92.5 | Very high | 75.3 | Confident | 0 Ų | 0 | 83.1 Ų | 83.1 | 0% | 0 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 162.7 | -168.8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | H150 W183 C184 F186 | H150-G204 PolarHBondContact CE1-O 2.85Å; W183-G204 VanDerWaalsContact CH2-C 3.47Å; W183-G204 WeakPolarHBondContact CH2-O 3.45Å; W183-G204 VanDerWaalsContact CZ2-CA 3.48Å; C184-G204 CarbonylContact O-C 3.44Å; C184-G204 WeakPolarHBondContact O-CA 3.31Å; F186-G204 VanDerWaalsContact CD2-CA 3.47Å |
| 205 | E | 94.9 | Very high | 77.7 | Confident | 87 Ų | 87 | 76.5 Ų | 76.5 | 41% | 0.407 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 155.1 | 174.5 | 65.8 | -174 | 166.6 | 0 | 0 | 111.6 | C184 F186 I207 | C184-E205 PolarHBondContact N-O 2.87Å; C184-E205 PolarHBondContact O-N 3.03Å; F186-E205 HydrophobicContact CE1-CG 4.33Å; F186-E205 HydrophobicContact CZ-CB 4.16Å; F186-E205 HydrophobicContact CZ-CG 3.81Å; E205-I207 HydrophobicContact CG-CD1 4.43Å; E205-I207 HydrophobicContact CG-CG1 3.95Å |
| 206 | F | 97.2 | Very high | 80.1 | Confident | 8 Ų | 8 | 70.2 Ų | 70.2 | 4% | 0.035 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 118.2 | 168.1 | -73 | -72.3 | 0 | 0 | 0 | 110.2 | I87 I96 Q152 L154 I169 Y181 S182 W183 | I87-F206 HydrophobicContact CD1-CE1 4.44Å; I87-F206 HydrophobicContact CD1-CZ 4.4Å; I87-F206 HydrophobicContact CG2-CE1 3.98Å; I87-F206 HydrophobicContact CG2-CZ 3.77Å; I96-F206 HydrophobicContact CD1-CE2 4.36Å; I96-F206 HydrophobicContact CD1-CZ 4.18Å; Q152-F206 PolarHBondContact NE2-O 2.8Å; L154-F206 HydrophobicContact CD2-CB 4.34Å; I169-F206 HydrophobicContact CD1-CD1 4.02Å; I169-F206 HydrophobicContact CD1-CD2 4.4Å; I169-F206 HydrophobicContact CD1-CE1 3.87Å; I169-F206 HydrophobicContact CD1-CE2 4.26Å; I169-F206 HydrophobicContact CD1-CG 4.29Å; I169-F206 HydrophobicContact CD1-CZ 3.98Å; I169-F206 HydrophobicContact CG1-CD1 4.08Å; I169-F206 HydrophobicContact CG1-CE1 3.98Å; I169-F206 HydrophobicContact CG2-CE1 4.04Å; I169-F206 HydrophobicContact CG2-CZ 4.35Å; Y181-F206 HydrophobicContact CD1-CB 4.46Å; S182-F206 WeakPolarHBondContact O-CA 3.45Å; W183-F206 HydrophobicContact CB-CD1 4.25Å; W183-F206 HydrophobicContact CB-CE1 4.07Å; W183-F206 AromaticContact CE3-CD1 3.94Å; W183-F206 HydrophobicContact CE3-CD1 3.94Å; W183-F206 AromaticContact CE3-CD2 3.75Å; W183-F206 HydrophobicContact CE3-CD2 3.75Å; W183-F206 AromaticContact CE3-CE1 3.85Å; W183-F206 HydrophobicContact CE3-CE1 3.85Å; W183-F206 AromaticContact CE3-CE2 3.65Å; W183-F206 HydrophobicContact CE3-CE2 3.65Å; W183-F206 AromaticContact CE3-CG 3.89Å; W183-F206 HydrophobicContact CE3-CG 3.89Å; W183-F206 AromaticContact CE3-CZ 3.71Å; W183-F206 HydrophobicContact CE3-CZ 3.71Å; W183-F206 AromaticContact CZ3-CD2 3.84Å; W183-F206 HydrophobicContact CZ3-CD2 3.84Å; W183-F206 AromaticContact CZ3-CE2 3.78Å; W183-F206 HydrophobicContact CZ3-CE2 3.78Å; W183-F206 HydrophobicContact CZ3-CG 4.37Å; W183-F206 HydrophobicContact CZ3-CZ 4.27Å |
| 207 | I | 96.7 | Very high | 82.9 | Confident | 70 Ų | 70 | 66.4 Ų | 66.4 | 36% | 0.359 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 133.3 | 177.6 | -54.7 | -173.5 | 0 | 0 | 0 | 109.4 | Y181 S182 C184 E205 L209 | Y181-I207 CarbonylContact C-O 3.49Å; Y181-I207 VanDerWaalsContact CA-O 3.27Å; Y181-I207 WeakPolarHBondContact CA-O 3.45Å; S182-I207 PolarHBondContact N-O 3.44Å; S182-I207 PolarHBondContact O-N 3.35Å; C184-I207 HydrophobicContact CB-CD1 3.55Å; C184-I207 HydrophobicContact CB-CG1 3.95Å; C184-I207 WeakPolarHBondContact SG-CD1 3.37Å; E205-I207 HydrophobicContact CG-CD1 4.43Å; E205-I207 HydrophobicContact CG-CG1 3.95Å; I207-L209 PolarHBondContact O-N 3.42Å |
| 208 | L | 97.6 | Very high | 85.7 | Confident | 85 Ų | 85 | 62.2 Ų | 62.2 | 45% | 0.445 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 122.3 | 175.6 | 179.2 | 66.3 | 0 | 0 | 0 | 110.5 | R179 Y181 | R179-L208 HydrophobicContact CB-CD1 3.73Å; R179-L208 HydrophobicContact CG-CD1 3.96Å; Y181-L208 HydrophobicContact CD1-CB 4.08Å; Y181-L208 HydrophobicContact CD1-CD1 4.3Å; Y181-L208 HydrophobicContact CE1-CB 3.92Å; Y181-L208 HydrophobicContact CE1-CD1 3.95Å |
| 209 | L | 96.3 | Very high | 88.3 | Confident | 61 Ų | 61 | 55.8 Ų | 55.8 | 32% | 0.319 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | -52.5 | 175.4 | -66.8 | -170.1 | 0 | 0 | 0 | 112.8 | E168 L180 I207 | E168-L209 HydrophobicContact CG-CD1 4.4Å; E168-L209 WeakPolarHBondContact OE1-CD1 3.34Å; L180-L209 HydrophobicContact CD2-CB 4.45Å; L180-L209 HydrophobicContact CD2-CD1 4.24Å; L180-L209 HydrophobicContact CG-CB 4.43Å; L180-L209 HydrophobicContact CG-CD1 4.43Å; L180-L209 WeakPolarHBondContact O-CB 3.38Å; L180-L209 PolarHBondContact O-N 3.43Å; I207-L209 PolarHBondContact O-N 3.42Å |
| 210 | I | 97.6 | Very high | 90.5 | Very high | 9 Ų | 9 | 49.8 Ų | 49.8 | 5% | 0.046 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 141.9 | -174.7 | -52.2 | -176.4 | 0 | 0 | 0 | 109.5 | R179 L180 W212 R247 F249 P258 | R179-I210 CarbonylContact C-O 3.54Å; R179-I210 WeakPolarHBondContact CA-O 3.34Å; L180-I210 HydrophobicContact CB-CB 4.45Å; L180-I210 PolarHBondContact N-O 2.78Å; L180-I210 PolarHBondContact O-N 2.83Å; I210-W212 HydrophobicContact CB-CE3 4.44Å; I210-W212 HydrophobicContact CB-CH2 3.69Å; I210-W212 HydrophobicContact CB-CZ2 3.84Å; I210-W212 HydrophobicContact CB-CZ3 4.02Å; I210-W212 HydrophobicContact CD1-CH2 4.15Å; I210-W212 HydrophobicContact CD1-CZ2 3.86Å; I210-W212 HydrophobicContact CG1-CH2 4.41Å; I210-W212 HydrophobicContact CG1-CZ2 4.42Å; I210-W212 HydrophobicContact CG2-CD2 3.76Å; I210-W212 VanDerWaalsContact CG2-CE2 3.41Å; I210-W212 HydrophobicContact CG2-CE3 4.07Å; I210-W212 HydrophobicContact CG2-CG 4.46Å; I210-W212 HydrophobicContact CG2-CH2 3.78Å; I210-W212 HydrophobicContact CG2-CZ2 3.43Å; I210-W212 VanDerWaalsContact CG2-CZ2 3.43Å; I210-W212 HydrophobicContact CG2-CZ3 4.08Å; I210-R247 HydrophobicContact CD1-CB 4.32Å; I210-R247 HydrophobicContact CD1-CG 3.72Å; I210-F249 HydrophobicContact CB-CZ 4.48Å; I210-F249 HydrophobicContact CD1-CE2 4.1Å; I210-F249 HydrophobicContact CD1-CZ 4.36Å; I210-F249 HydrophobicContact CG1-CE2 4.03Å; I210-F249 HydrophobicContact CG1-CZ 3.87Å; I210-F249 HydrophobicContact CG2-CZ 4.26Å; I210-P258 HydrophobicContact CG2-CB 3.66Å; I210-P258 HydrophobicContact CG2-CG 3.75Å |
| 211 | K | 97.2 | Very high | 92.5 | Very high | 78 Ų | 78 | 46.8 Ų | 46.8 | 34% | 0.339 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 108.5 | 175.1 | -179.3 | -159.5 | 179 | -161.6 | 0 | 109.3 | V177 V178 R179 E213 P258 | V177-K211 HydrophobicContact CG1-CD 4.19Å; V177-K211 HydrophobicContact CG1-CG 3.49Å; V177-K211 VanDerWaalsContact CG1-CG 3.49Å; V178-K211 CarbonylContact O-C 3.57Å; V178-K211 WeakPolarHBondContact O-CA 3.4Å; R179-K211 HydrophobicContact CG-CB 4.49Å; R179-K211 HydrophobicContact CG-CG 4.19Å; K211-E213 WeakPolarHBondContact CE-OE1 3.42Å; K211-E213 IonicContact NZ-OE1 3.8Å; K211-E213 PolarHBondContact NZ-OE1 3.5Å; K211-P258 WeakPolarHBondContact O-CG 3.37Å |
| 212 | W | 98 | Very high | 94.3 | Very high | 3 Ų | 3 | 45.8 Ų | 45.8 | 1% | 0.011 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 135.5 | 172 | -58.7 | -92.8 | 0 | 0 | 0 | 110.4 | V177 V178 L180 I210 L214 L233 L245 H246 P258 T259 L260 | V177-W212 WeakPolarHBondContact CA-O 3.13Å; V177-W212 WeakPolarHBondContact CG1-O 3.44Å; V178-W212 HydrophobicContact CB-CE3 4.35Å; V178-W212 HydrophobicContact CG1-CE3 4.24Å; V178-W212 PolarHBondContact N-O 3.21Å; V178-W212 PolarHBondContact O-N 2.95Å; L180-W212 HydrophobicContact CB-CH2 3.82Å; L180-W212 HydrophobicContact CB-CZ3 3.65Å; L180-W212 HydrophobicContact CD2-CH2 4.15Å; I210-W212 HydrophobicContact CB-CE3 4.44Å; I210-W212 HydrophobicContact CB-CH2 3.69Å; I210-W212 HydrophobicContact CB-CZ2 3.84Å; I210-W212 HydrophobicContact CB-CZ3 4.02Å; I210-W212 HydrophobicContact CD1-CH2 4.15Å; I210-W212 HydrophobicContact CD1-CZ2 3.86Å; I210-W212 HydrophobicContact CG1-CH2 4.41Å; I210-W212 HydrophobicContact CG1-CZ2 4.42Å; I210-W212 HydrophobicContact CG2-CD2 3.76Å; I210-W212 VanDerWaalsContact CG2-CE2 3.41Å; I210-W212 HydrophobicContact CG2-CE3 4.07Å; I210-W212 HydrophobicContact CG2-CG 4.46Å; I210-W212 HydrophobicContact CG2-CH2 3.78Å; I210-W212 HydrophobicContact CG2-CZ2 3.43Å; I210-W212 VanDerWaalsContact CG2-CZ2 3.43Å; I210-W212 HydrophobicContact CG2-CZ3 4.08Å; W212-L214 HydrophobicContact CB-CD1 4.24Å; W212-L233 HydrophobicContact CH2-CD2 4.3Å; W212-L233 HydrophobicContact CZ3-CD2 4.02Å; W212-L245 HydrophobicContact CB-CD2 4.03Å; W212-L245 HydrophobicContact CD2-CB 3.92Å; W212-L245 HydrophobicContact CD2-CD1 4.19Å; W212-L245 HydrophobicContact CD2-CD2 4.42Å; W212-L245 HydrophobicContact CD2-CG 4.41Å; W212-L245 HydrophobicContact CE3-CB 4.3Å; W212-L245 HydrophobicContact CE3-CD1 4.01Å; W212-L245 HydrophobicContact CG-CB 4.27Å; W212-L245 HydrophobicContact CG-CD1 4.45Å; W212-L245 HydrophobicContact CG-CD2 3.97Å; W212-L245 HydrophobicContact CG-CG 4.46Å; W212-L245 HydrophobicContact CH2-CB 4.49Å; W212-L245 HydrophobicContact CZ2-CB 4.13Å; W212-H246 WeakPolarHBondContact CZ2-O 3.36Å; W212-H246 PolarHBondContact NE1-O 3.45Å; W212-P258 VanDerWaalsContact CD1-CB 3.49Å; W212-P258 HydrophobicContact CG-CB 4.18Å; W212-T259 PolarHBondContact NE1-O 2.83Å; W212-T259 VanDerWaalsContact NE1-O 3.14Å; W212-L260 HydrophobicContact CB-CD2 4.24Å |
| 213 | E | 96.8 | Very high | 95.5 | Very high | 127 Ų | 127 | 41 Ų | 41 | 59% | 0.593 | 21% | 0.214 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 123.9 | 171.9 | -60.2 | -173.1 | 172.7 | 0 | 0 | 108.4 | V177 K211 | V177-E213 HydrophobicContact CG2-CG 4.3Å; K211-E213 WeakPolarHBondContact CE-OE1 3.42Å; K211-E213 IonicContact NZ-OE1 3.8Å; K211-E213 PolarHBondContact NZ-OE1 3.5Å |
| 214 | L | 96.8 | Very high | 95.8 | Very high | 10 Ų | 10 | 39.1 Ų | 39.1 | 5% | 0.052 | 20% | 0.204 | C | C | . | . | trans | -104.5 | 149.8 | -176.1 | -67 | 88.5 | 0 | 0 | 0 | 111.9 | R176 V178 W212 V218 A235 A243 L245 Y262 | R176-L214 WeakPolarHBondContact CB-O 3.24Å; R176-L214 WeakPolarHBondContact O-CD1 3.33Å; R176-L214 PolarHBondContact O-N 2.89Å; V178-L214 HydrophobicContact CB-CD1 4.34Å; V178-L214 HydrophobicContact CG2-CD1 3.87Å; W212-L214 HydrophobicContact CB-CD1 4.24Å; L214-V218 HydrophobicContact CB-CG2 4.22Å; L214-V218 HydrophobicContact CD1-CG2 3.99Å; L214-V218 HydrophobicContact CD2-CG2 3.89Å; L214-V218 HydrophobicContact CG-CG2 4.25Å; L214-A235 HydrophobicContact CD2-CB 3.8Å; L214-A243 HydrophobicContact CD2-CB 3.86Å; L214-L245 HydrophobicContact CD1-CD2 4.36Å; L214-L245 HydrophobicContact CD2-CD2 4.26Å; L214-Y262 VanDerWaalsContact CA-OH 3.31Å; L214-Y262 WeakPolarHBondContact CA-OH 3.45Å | ||
| 215 | A | 92.8 | Very high | 95.8 | Very high | 69 Ų | 69 | 42.5 Ų | 42.5 | 57% | 0.57 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -64.4 | -40.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | R176 Y262 | R176-A215 PolarHBondContact NH1-O 3.24Å; A215-Y262 PolarHBondContact N-OH 3.04Å |
| 216 | G | 92.6 | Very high | 95.2 | Very high | 14 Ų | 14 | 38.8 Ų | 38.8 | 14% | 0.144 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -112.6 | 168.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q237 | G216-Q237 VanDerWaalsContact CA-OE1 3.29Å; G216-Q237 PolarHBondContact O-NE2 3.13Å; G216-Q237 VanDerWaalsContact O-NE2 3.13Å |
| 217 | Q | 93.6 | Very high | 94.2 | Very high | 82 Ų | 82 | 44.5 Ų | 44.5 | 38% | 0.383 | 23% | 0.232 | S | C | . | . | trans | -58.4 | 136.2 | 176.4 | -72.5 | -63.1 | -19.1 | 0 | 0 | 111.9 | S174 P238 | S174-Q217 PolarHBondContact O-NE2 3.42Å; S174-Q217 PolarHBondContact O-OE1 3.09Å; S174-Q217 VanDerWaalsContact O-OE1 3.07Å; Q217-P238 HydrophobicContact CB-CG 4.41Å; Q217-P238 WeakPolarHBondContact O-CD 3.34Å | ||
| 218 | V | 96.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | -98.5 | 119.6 | 174.6 | -174.7 | 0 | 0 | 0 | 0 | 108.2 | A172 V178 L214 I221 A235 | A172-V218 HydrophobicContact CB-CB 4.43Å; A172-V218 HydrophobicContact CB-CG1 3.76Å; V178-V218 HydrophobicContact CG2-CG1 4.16Å; V178-V218 HydrophobicContact CG2-CG2 4.22Å; L214-V218 HydrophobicContact CB-CG2 4.22Å; L214-V218 HydrophobicContact CD1-CG2 3.99Å; L214-V218 HydrophobicContact CD2-CG2 3.89Å; L214-V218 HydrophobicContact CG-CG2 4.25Å; V218-I221 HydrophobicContact CG1-CG2 3.84Å; V218-A235 HydrophobicContact CG1-CB 4.15Å | ||
| 219 | N | 96 | Very high | 92.3 | Very high | 14 Ų | 14 | 47.4 Ų | 47.4 | 8% | 0.075 | 24% | 0.238 | C | C | . | . | trans | -103.5 | -37.6 | -178.7 | -173.9 | 69.6 | 0 | 0 | 0 | 112.3 | K159 S236 T277 W278 | K159-N219 PolarHBondContact NZ-OD1 3.32Å; N219-S236 PolarHBondContact N-OG 2.78Å; N219-T277 WeakPolarHBondContact CB-O 3.49Å; N219-T277 PolarHBondContact ND2-O 3.01Å; N219-T277 VanDerWaalsContact ND2-O 3.15Å; N219-W278 VanDerWaalsContact ND2-CE2 3.25Å; N219-W278 PolarHBondContact ND2-NE1 2.83Å | ||
| 220 | R | 97 | Very high | 91.9 | Very high | 41 Ų | 41 | 45.9 Ų | 45.9 | 16% | 0.155 | 24% | 0.237 | C | C | . | . | trans | -139.8 | 145.7 | 174.1 | -73.6 | -57.4 | -168.3 | 156.1 | 7.6 | 112.9 | S20 C21 D160 S236 W278 | S20-R220 PolarHBondContact O-NH2 2.97Å; S20-R220 VanDerWaalsContact O-NH2 3.13Å; C21-R220 PolarHBondContact SG-NE 3.07Å; C21-R220 PolarHBondContact SG-NH1 3Å; C21-R220 PolarHBondContact SG-NH2 3.26Å; C21-R220 VanDerWaalsContact SG-NH2 3.42Å; D160-R220 IonicContact OD1-CZ 3.1Å; D160-R220 IonicContact OD1-NH1 3.76Å; D160-R220 PolarHBondContact OD1-NH1 3.09Å; D160-R220 VanDerWaalsContact OD2-CA 3.22Å; D160-R220 WeakPolarHBondContact OD2-CA 3.4Å; D160-R220 WeakPolarHBondContact OD2-CD 3.24Å; D160-R220 IonicContact OD2-NH1 3.96Å; R220-S236 PolarHBondContact N-OG 2.89Å; R220-S236 WeakPolarHBondContact O-CB 3.49Å; R220-S236 PolarHBondContact O-N 2.87Å; R220-S236 PolarHBondContact O-OG 2.77Å; R220-W278 HydrophobicContact CG-CB 4.33Å; R220-W278 HydrophobicContact CG-CG 4.17Å | ||
| 221 | I | 98.1 | Very high | 91.6 | Very high | 8 Ų | 8 | 48.8 Ų | 48.8 | 4% | 0.041 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 149.9 | 166.2 | 53.2 | 169.5 | 0 | 0 | 0 | 109.6 | D160 A170 A172 V178 V218 I234 A235 | D160-I221 HydrophobicContact CB-CG1 4.18Å; D160-I221 PolarHBondContact OD2-N 2.9Å; A170-I221 HydrophobicContact CB-CD1 3.87Å; A170-I221 VanDerWaalsContact O-CD1 3.29Å; A170-I221 WeakPolarHBondContact O-CD1 3.43Å; A172-I221 HydrophobicContact CB-CD1 4.08Å; A172-I221 HydrophobicContact CB-CG1 4.12Å; A172-I221 HydrophobicContact CB-CG2 3.81Å; V178-I221 HydrophobicContact CG1-CG2 4.39Å; V178-I221 HydrophobicContact CG2-CG2 3.95Å; V218-I221 HydrophobicContact CG1-CG2 3.84Å; I221-I234 VanDerWaalsContact CA-O 3.27Å; I221-I234 WeakPolarHBondContact CA-O 3.45Å; I221-A235 HydrophobicContact CG2-CB 3.9Å |
| 222 | D | 97.2 | Very high | 91.3 | Very high | 38 Ų | 38 | 45.5 Ų | 45.5 | 20% | 0.203 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 174.7 | 172.5 | -161.2 | 0.4 | 0 | 0 | 0 | 109.4 | I234 L279 I280 G281 | D222-I234 HydrophobicContact CB-CD1 4.47Å; D222-I234 HydrophobicContact CB-CG1 4.34Å; D222-I234 PolarHBondContact N-O 2.92Å; D222-I234 WeakPolarHBondContact O-CG1 3.14Å; D222-I234 PolarHBondContact O-N 2.75Å; D222-L279 HydrophobicContact CB-CD1 3.66Å; D222-I280 WeakPolarHBondContact OD2-CA 3.46Å; D222-G281 PolarHBondContact OD2-N 3.14Å |
| 223 | T | 95.3 | Very high | 91.3 | Very high | 17 Ų | 17 | 45.6 Ų | 45.6 | 10% | 0.104 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 152.8 | 172.8 | 69.7 | 0 | 0 | 0 | 0 | 111.1 | F164 I232 G281 N282 | F164-T223 HydrophobicContact CD2-CG2 3.77Å; T223-I232 CarbonylContact C-O 3.53Å; T223-I232 VanDerWaalsContact CA-O 3.27Å; T223-I232 WeakPolarHBondContact CA-O 3.37Å; T223-G281 WeakPolarHBondContact O-CA 3.18Å; T223-N282 PolarHBondContact O-ND2 3.38Å; T223-N282 PolarHBondContact OG1-ND2 2.89Å; T223-N282 VanDerWaalsContact OG1-ND2 3.17Å |
| 224 | C | 92.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 130.3 | 173.4 | -179 | 0 | 0 | 0 | 0 | 109.9 | I232 I234 N282 | C224-I232 HydrophobicContact CB-CD1 4.33Å; C224-I232 HydrophobicContact CB-CG1 3.87Å; C224-I232 PolarHBondContact N-O 3.41Å; C224-I232 WeakPolarHBondContact O-CG1 3.38Å; C224-I232 PolarHBondContact O-N 2.82Å; C224-I234 HydrophobicContact CB-CD1 4.1Å; C224-N282 WeakPolarHBondContact CA-OD1 3.37Å |
| 225 | L | 90.7 | Very high | 91.3 | Very high | 71 Ų | 71 | 39.1 Ų | 39.1 | 37% | 0.372 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 115.7 | 173.3 | -175.1 | 67.1 | 0 | 0 | 0 | 109 | L231 N282 | L225-L231 HydrophobicContact CD1-CB 4.4Å; L225-N282 WeakPolarHBondContact CB-OD1 3.42Å; L225-N282 PolarHBondContact N-OD1 2.76Å |
| 226 | T | 83.7 | Confident | 91.4 | Very high | 9 Ų | 9 | 35.9 Ų | 35.9 | 6% | 0.055 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 154 | 176.4 | 68.6 | 0 | 0 | 0 | 0 | 110.4 | Y229 G230 I232 P316 | T226-Y229 WeakPolarHBondContact OG1-CB 3.44Å; T226-Y229 PolarHBondContact OG1-N 3.27Å; T226-Y229 VanDerWaalsContact OG1-N 3.09Å; T226-G230 PolarHBondContact N-O 2.89Å; T226-G230 WeakPolarHBondContact O-CA 3.49Å; T226-G230 PolarHBondContact O-N 2.85Å; T226-G230 VanDerWaalsContact O-N 3.11Å; T226-G230 PolarHBondContact OG1-N 3.2Å; T226-G230 PolarHBondContact OG1-O 2.91Å; T226-I232 HydrophobicContact CG2-CD1 3.64Å; T226-I232 HydrophobicContact CG2-CG1 3.85Å; T226-I232 HydrophobicContact CG2-CG2 4.27Å; T226-P316 HydrophobicContact CG2-CB 4.25Å; T226-P316 HydrophobicContact CG2-CG 4.02Å |
| 227 | Q | 75.6 | Confident | 91.5 | Very high | 129 Ų | 129 | 36 Ų | 36 | 60% | 0.603 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -37.3 | 175.9 | -174.8 | 172.3 | 2.5 | 0 | 0 | 112.2 | T317 | Q227-T317 HydrophobicContact CB-CG2 4.4Š|
| 228 | E | 76.2 | Confident | 91.6 | Very high | 114 Ų | 114 | 33.4 Ų | 33.4 | 53% | 0.533 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -45.7 | -174.6 | -174.7 | 178.3 | -174.6 | 0 | 0 | 112.6 | H319 | E228-H319 IonicContact OE2-CD2 2.97Š|
| 229 | Y | 78.1 | Confident | 91.3 | Very high | 102 Ų | 102 | 34 Ų | 34 | 40% | 0.4 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | -3.8 | -171.9 | -55.1 | -74.4 | 0 | 0 | 0 | 113.4 | T226 I232 H244 | T226-Y229 WeakPolarHBondContact OG1-CB 3.44Å; T226-Y229 PolarHBondContact OG1-N 3.27Å; T226-Y229 VanDerWaalsContact OG1-N 3.09Å; Y229-I232 VanDerWaalsContact CB-CG2 3.49Å; Y229-I232 HydrophobicContact CG-CG2 4.37Å; Y229-H244 AromaticContact CD2-CE1 3.98Å; Y229-H244 AromaticContact CG-CE1 3.91Å |
| 230 | G | 87.1 | Confident | 91.1 | Very high | 29 Ų | 29 | 33.7 Ų | 33.7 | 30% | 0.299 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 69.8 | -142.9 | -168.8 | 0 | 0 | 0 | 0 | 0 | 111 | T226 I232 | T226-G230 PolarHBondContact N-O 2.89Å; T226-G230 WeakPolarHBondContact O-CA 3.49Å; T226-G230 PolarHBondContact O-N 2.85Å; T226-G230 VanDerWaalsContact O-N 3.11Å; T226-G230 PolarHBondContact OG1-N 3.2Å; T226-G230 PolarHBondContact OG1-O 2.91Å; G230-I232 PolarHBondContact O-N 3.07Å |
| 231 | L | 91.4 | Very high | 90.8 | Very high | 69 Ų | 69 | 31.8 Ų | 31.8 | 36% | 0.361 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 116.9 | 179.3 | -170.8 | 64.9 | 0 | 0 | 0 | 110.5 | F164 L225 | F164-L231 HydrophobicContact CE2-CD2 4.38Å; F164-L231 HydrophobicContact CE2-CG 4.05Å; F164-L231 WeakPolarHBondContact CZ-O 3.31Å; F164-L231 WeakPolarHBondContact O-CD2 3.48Å; L225-L231 HydrophobicContact CD1-CB 4.4Å |
| 232 | I | 92.4 | Very high | 90.6 | Very high | 10 Ų | 10 | 32.2 Ų | 32.2 | 5% | 0.051 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 152.7 | 179.7 | 67.3 | 165 | 0 | 0 | 0 | 111.2 | T223 C224 T226 Y229 G230 I234 H244 | T223-I232 CarbonylContact C-O 3.53Å; T223-I232 VanDerWaalsContact CA-O 3.27Å; T223-I232 WeakPolarHBondContact CA-O 3.37Å; C224-I232 HydrophobicContact CB-CD1 4.33Å; C224-I232 HydrophobicContact CB-CG1 3.87Å; C224-I232 PolarHBondContact N-O 3.41Å; C224-I232 WeakPolarHBondContact O-CG1 3.38Å; C224-I232 PolarHBondContact O-N 2.82Å; T226-I232 HydrophobicContact CG2-CD1 3.64Å; T226-I232 HydrophobicContact CG2-CG1 3.85Å; T226-I232 HydrophobicContact CG2-CG2 4.27Å; Y229-I232 VanDerWaalsContact CB-CG2 3.49Å; Y229-I232 HydrophobicContact CG-CG2 4.37Å; G230-I232 PolarHBondContact O-N 3.07Å; I232-I234 HydrophobicContact CD1-CG2 3.63Å; I232-I234 HydrophobicContact CG1-CG2 4.08Å; I232-H244 VanDerWaalsContact CB-NE2 3.33Å; I232-H244 WeakPolarHBondContact CB-NE2 3.3Å; I232-H244 VanDerWaalsContact CG2-CE1 3.44Å; I232-H244 WeakPolarHBondContact CG2-CE1 3.3Å; I232-H244 WeakPolarHBondContact CG2-NE2 3.21Å |
| 233 | L | 96.3 | Very high | 90.5 | Very high | 4 Ų | 4 | 30.4 Ų | 30.4 | 2% | 0.021 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 128.8 | 170.7 | -175.6 | 68.2 | 0 | 0 | 0 | 108.7 | F164 A170 V178 W212 L245 | F164-L233 HydrophobicContact CD2-CB 4Å; F164-L233 HydrophobicContact CD2-CD1 4.19Å; F164-L233 HydrophobicContact CE2-CB 3.89Å; A170-L233 HydrophobicContact CB-CD1 3.67Å; A170-L233 HydrophobicContact CB-CD2 3.65Å; A170-L233 HydrophobicContact CB-CG 4.34Å; V178-L233 HydrophobicContact CG1-CD2 4.13Å; W212-L233 HydrophobicContact CH2-CD2 4.3Å; W212-L233 HydrophobicContact CZ3-CD2 4.02Å; L233-L245 HydrophobicContact CB-CB 4.24Å; L233-L245 HydrophobicContact CD2-CB 4.24Å; L233-L245 HydrophobicContact CD2-CD1 3.82Å; L233-L245 HydrophobicContact CG-CB 4.36Å; L233-L245 HydrophobicContact CG-CD1 4.13Å; L233-L245 PolarHBondContact O-N 3.42Å |
| 234 | I | 96.1 | Very high | 90.4 | Very high | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 141.6 | -178.5 | 50.2 | 169.4 | 0 | 0 | 0 | 110.6 | I221 D222 C224 I232 A243 L279 L302 | I221-I234 VanDerWaalsContact CA-O 3.27Å; I221-I234 WeakPolarHBondContact CA-O 3.45Å; D222-I234 HydrophobicContact CB-CD1 4.47Å; D222-I234 HydrophobicContact CB-CG1 4.34Å; D222-I234 PolarHBondContact N-O 2.92Å; D222-I234 WeakPolarHBondContact O-CG1 3.14Å; D222-I234 PolarHBondContact O-N 2.75Å; C224-I234 HydrophobicContact CB-CD1 4.1Å; I232-I234 HydrophobicContact CD1-CG2 3.63Å; I232-I234 HydrophobicContact CG1-CG2 4.08Å; I234-A243 CarbonylContact C-O 3.53Å; I234-A243 WeakPolarHBondContact CA-O 3.49Å; I234-L279 HydrophobicContact CB-CD2 4.39Å; I234-L279 HydrophobicContact CD1-CD1 3.62Å; I234-L279 HydrophobicContact CD1-CD2 4.31Å; I234-L279 HydrophobicContact CG1-CD1 3.83Å; I234-L279 HydrophobicContact CG1-CD2 4.45Å; I234-L302 HydrophobicContact CD1-CD1 3.37Å; I234-L302 HydrophobicContact CD1-CD2 4.35Å; I234-L302 HydrophobicContact CD1-CG 4.41Å |
| 235 | A | 97.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 130.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | V178 L214 V218 I221 F242 A243 L245 | V178-A235 HydrophobicContact CG2-CB 4.37Å; L214-A235 HydrophobicContact CD2-CB 3.8Å; V218-A235 HydrophobicContact CG1-CB 4.15Å; I221-A235 HydrophobicContact CG2-CB 3.9Å; A235-F242 CarbonylContact O-C 3.33Å; A235-F242 WeakPolarHBondContact O-CA 3.32Å; A235-F242 WeakPolarHBondContact O-CB 3.42Å; A235-A243 PolarHBondContact N-O 2.96Å; A235-A243 PolarHBondContact O-N 3.37Å; A235-L245 HydrophobicContact CB-CD1 4Å; A235-L245 HydrophobicContact CB-CD2 4.49Å; A235-L245 HydrophobicContact CB-CG 4.26Å |
| 236 | S | 96.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 147.1 | 176 | 52.7 | 0 | 0 | 0 | 0 | 111.2 | N219 R220 T277 | N219-S236 PolarHBondContact N-OG 2.78Å; R220-S236 PolarHBondContact N-OG 2.89Å; R220-S236 WeakPolarHBondContact O-CB 3.49Å; R220-S236 PolarHBondContact O-N 2.87Å; R220-S236 PolarHBondContact O-OG 2.77Å; S236-T277 WeakPolarHBondContact CB-O 3.33Å; S236-T277 PolarHBondContact OG-O 3.37Å |
| 237 | Q | 94.9 | Very high | 91.1 | Very high | 16 Ų | 16 | 33.6 Ų | 33.6 | 8% | 0.075 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 157.3 | 170.4 | -67.6 | -69.6 | -84.7 | 0 | 0 | 108.8 | G216 G241 Y262 T277 | G216-Q237 VanDerWaalsContact CA-OE1 3.29Å; G216-Q237 PolarHBondContact O-NE2 3.13Å; G216-Q237 VanDerWaalsContact O-NE2 3.13Å; Q237-G241 PolarHBondContact N-O 3.35Å; Q237-G241 PolarHBondContact O-N 2.8Å; Q237-G241 VanDerWaalsContact O-O 3.04Å; Q237-Y262 HydrophobicContact CG-CD1 4.38Å; Q237-Y262 HydrophobicContact CG-CE1 4.28Å; Q237-T277 WeakPolarHBondContact O-CB 3.19Å; Q237-T277 PolarHBondContact O-OG1 2.96Å |
| 238 | P | 93.9 | Very high | 91.9 | Very high | 28 Ų | 28 | 31.7 Ų | 31.7 | 18% | 0.182 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -54.2 | 156.1 | -178.7 | -27.7 | 37 | 0 | 0 | 0 | 113.9 | Q217 G240 G241 L273 T275 | Q217-P238 HydrophobicContact CB-CG 4.41Å; Q217-P238 WeakPolarHBondContact O-CD 3.34Å; P238-G240 VanDerWaalsContact C-N 3.26Å; P238-G240 PolarHBondContact O-N 2.77Å; P238-G241 PolarHBondContact O-N 2.87Å; P238-L273 VanDerWaalsContact CB-O 3.23Å; P238-L273 WeakPolarHBondContact CB-O 3.33Å; P238-T275 CarbonylContact C-O 3.53Å; P238-T275 WeakPolarHBondContact CA-O 3.19Å |
| 239 | S | 90.9 | Very high | 92.7 | Very high | 14 Ų | 14 | 31.5 Ų | 31.5 | 10% | 0.098 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | 63.1 | 19.4 | 175.5 | -58 | 0 | 0 | 0 | 0 | 116.6 | P265 N272 L273 T275 T277 | S239-P265 WeakPolarHBondContact O-CB 3.2Å; S239-N272 PolarHBondContact OG-O 3.19Å; S239-L273 WeakPolarHBondContact OG-CA 3.23Å; S239-L273 PolarHBondContact OG-O 3.48Å; S239-T275 PolarHBondContact N-O 2.97Å; S239-T277 PolarHBondContact N-OG1 3.17Å |
| 240 | G | 91 | Very high | 93.3 | Very high | 6 Ų | 6 | 29.5 Ų | 29.5 | 6% | 0.062 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | 89.1 | 20.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | P238 T277 | P238-G240 VanDerWaalsContact C-N 3.26Å; P238-G240 PolarHBondContact O-N 2.77Å; G240-T277 PolarHBondContact N-OG1 3.33Å |
| 241 | G | 91.5 | Very high | 93.4 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.01 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 168.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q237 P238 Y263 | Q237-G241 PolarHBondContact N-O 3.35Å; Q237-G241 PolarHBondContact O-N 2.8Å; Q237-G241 VanDerWaalsContact O-O 3.04Å; P238-G241 PolarHBondContact O-N 2.87Å; G241-Y263 VanDerWaalsContact CA-O 3.3Å; G241-Y263 WeakPolarHBondContact CA-O 3.45Å |
| 242 | F | 94.4 | Very high | 92.9 | Very high | 17 Ų | 17 | 37.1 Ų | 37.1 | 8% | 0.075 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 169.3 | 170.5 | 66.9 | -80.4 | 0 | 0 | 0 | 111.4 | A235 Y263 L279 L302 L304 | A235-F242 CarbonylContact O-C 3.33Å; A235-F242 WeakPolarHBondContact O-CA 3.32Å; A235-F242 WeakPolarHBondContact O-CB 3.42Å; F242-Y263 AromaticContact CD2-CD2 3.86Å; F242-Y263 HydrophobicContact CD2-CD2 3.86Å; F242-Y263 HydrophobicContact CD2-CG 4.27Å; F242-Y263 VanDerWaalsContact CE1-CB 3.41Å; F242-Y263 HydrophobicContact CE1-CD1 4.46Å; F242-Y263 HydrophobicContact CE1-CD2 4.44Å; F242-Y263 AromaticContact CE1-CG 3.89Å; F242-Y263 HydrophobicContact CE1-CG 3.89Å; F242-Y263 HydrophobicContact CE2-CD1 4.3Å; F242-Y263 AromaticContact CE2-CD2 3.37Å; F242-Y263 HydrophobicContact CE2-CD2 3.37Å; F242-Y263 AromaticContact CE2-CE2 3.88Å; F242-Y263 HydrophobicContact CE2-CE2 3.88Å; F242-Y263 AromaticContact CE2-CG 3.61Å; F242-Y263 HydrophobicContact CE2-CG 3.61Å; F242-Y263 VanDerWaalsContact CZ-CB 3.49Å; F242-Y263 AromaticContact CZ-CD1 3.82Å; F242-Y263 HydrophobicContact CZ-CD1 3.82Å; F242-Y263 AromaticContact CZ-CD2 3.71Å; F242-Y263 HydrophobicContact CZ-CD2 3.71Å; F242-Y263 HydrophobicContact CZ-CE1 4.44Å; F242-Y263 HydrophobicContact CZ-CE2 4.37Å; F242-Y263 AromaticContact CZ-CG 3.39Å; F242-Y263 HydrophobicContact CZ-CG 3.39Å; F242-Y263 PolarHBondContact N-O 3.11Å; F242-Y263 PolarHBondContact O-N 3.09Å; F242-L279 HydrophobicContact CB-CD2 3.9Å; F242-L302 HydrophobicContact CD1-CD2 4.07Å; F242-L302 HydrophobicContact CD2-CD2 3.81Å; F242-L302 HydrophobicContact CE1-CD2 3.89Å; F242-L302 HydrophobicContact CE2-CD2 3.63Å; F242-L302 HydrophobicContact CG-CD2 4.03Å; F242-L302 HydrophobicContact CZ-CD2 3.67Å; F242-L304 HydrophobicContact CB-CD2 4.04Å; F242-L304 HydrophobicContact CD1-CD1 4.35Å; F242-L304 HydrophobicContact CD1-CD2 3.77Å; F242-L304 HydrophobicContact CG-CD2 4.24Å |
| 243 | A | 94.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 138.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | L214 I234 A235 L245 T261 Y262 | L214-A243 HydrophobicContact CD2-CB 3.86Å; I234-A243 CarbonylContact C-O 3.53Å; I234-A243 WeakPolarHBondContact CA-O 3.49Å; A235-A243 PolarHBondContact N-O 2.96Å; A235-A243 PolarHBondContact O-N 3.37Å; A243-L245 HydrophobicContact CB-CD2 4.32Å; A243-T261 CarbonylContact C-O 3.56Å; A243-T261 VanDerWaalsContact CA-O 3.24Å; A243-T261 WeakPolarHBondContact CA-O 3.2Å; A243-Y262 HydrophobicContact CB-CD1 3.85Å; A243-Y262 HydrophobicContact CB-CE1 3.94Å |
| 244 | H | 93.7 | Very high | 92.1 | Very high | 7 Ų | 7 | 51.6 Ų | 51.6 | 3% | 0.032 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 121.8 | 164 | 176.5 | -172.7 | 0 | 0 | 0 | 108.3 | Y229 I232 H246 L260 T261 Y263 | Y229-H244 AromaticContact CD2-CE1 3.98Å; Y229-H244 AromaticContact CG-CE1 3.91Å; I232-H244 VanDerWaalsContact CB-NE2 3.33Å; I232-H244 WeakPolarHBondContact CB-NE2 3.3Å; I232-H244 VanDerWaalsContact CG2-CE1 3.44Å; I232-H244 WeakPolarHBondContact CG2-CE1 3.3Å; I232-H244 WeakPolarHBondContact CG2-NE2 3.21Å; H244-H246 AromaticContact CE1-CE1 3.23Å; H244-H246 PolarHBondContact CE1-CE1 2.92Å; H244-H246 AromaticContact CE1-CG 3.99Å; H244-H246 AromaticContact CE1-ND1 3.37Å; H244-H246 PolarHBondContact CE1-ND1 3.08Å; H244-H246 AromaticContact CE1-NE2 3.83Å; H244-H246 AromaticContact CG-CE1 3.95Å; H244-H246 AromaticContact CG-NE2 3.78Å; H244-H246 AromaticContact ND1-CE1 3.25Å; H244-H246 PolarHBondContact ND1-CE1 2.71Å; H244-H246 VanDerWaalsContact ND1-CE1 3.25Å; H244-H246 AromaticContact ND1-ND1 3.83Å; H244-H246 AromaticContact ND1-NE2 3.48Å; H244-H246 PolarHBondContact ND1-NE2 3.15Å; H244-H246 AromaticContact NE2-CE1 3.91Å; H244-H246 AromaticContact NE2-CG 3.94Å; H244-H246 AromaticContact NE2-ND1 3.7Å; H244-L260 CarbonylContact O-C 3.59Å; H244-L260 WeakPolarHBondContact O-CA 3.44Å; H244-L260 WeakPolarHBondContact O-CB 3.22Å; H244-T261 PolarHBondContact N-O 3.26Å; H244-T261 PolarHBondContact O-N 2.85Å; H244-Y263 HydrophobicContact CB-CE2 4.04Å |
| 245 | L | 95.7 | Very high | 91.7 | Very high | 3 Ų | 3 | 58.2 Ų | 58.2 | 2% | 0.016 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 102.4 | 176.6 | -53.8 | -174.1 | 0 | 0 | 0 | 109.6 | V178 W212 L214 L233 A235 A243 L260 | V178-L245 HydrophobicContact CB-CD1 3.67Å; V178-L245 HydrophobicContact CG1-CD1 3.59Å; V178-L245 HydrophobicContact CG2-CD1 3.93Å; W212-L245 HydrophobicContact CB-CD2 4.03Å; W212-L245 HydrophobicContact CD2-CB 3.92Å; W212-L245 HydrophobicContact CD2-CD1 4.19Å; W212-L245 HydrophobicContact CD2-CD2 4.42Å; W212-L245 HydrophobicContact CD2-CG 4.41Å; W212-L245 HydrophobicContact CE3-CB 4.3Å; W212-L245 HydrophobicContact CE3-CD1 4.01Å; W212-L245 HydrophobicContact CG-CB 4.27Å; W212-L245 HydrophobicContact CG-CD1 4.45Å; W212-L245 HydrophobicContact CG-CD2 3.97Å; W212-L245 HydrophobicContact CG-CG 4.46Å; W212-L245 HydrophobicContact CH2-CB 4.49Å; W212-L245 HydrophobicContact CZ2-CB 4.13Å; L214-L245 HydrophobicContact CD1-CD2 4.36Å; L214-L245 HydrophobicContact CD2-CD2 4.26Å; L233-L245 HydrophobicContact CB-CB 4.24Å; L233-L245 HydrophobicContact CD2-CB 4.24Å; L233-L245 HydrophobicContact CD2-CD1 3.82Å; L233-L245 HydrophobicContact CG-CB 4.36Å; L233-L245 HydrophobicContact CG-CD1 4.13Å; L233-L245 PolarHBondContact O-N 3.42Å; A235-L245 HydrophobicContact CB-CD1 4Å; A235-L245 HydrophobicContact CB-CD2 4.49Å; A235-L245 HydrophobicContact CB-CG 4.26Å; A243-L245 HydrophobicContact CB-CD2 4.32Å; L245-L260 HydrophobicContact CD2-CB 3.98Å |
| 246 | H | 93.5 | Very high | 91.3 | Very high | 15 Ų | 15 | 63.2 Ų | 63.2 | 7% | 0.069 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 138.1 | -175.1 | -61.1 | -104.1 | 0 | 0 | 0 | 111 | W212 H244 K248 T259 T261 | W212-H246 WeakPolarHBondContact CZ2-O 3.36Å; W212-H246 PolarHBondContact NE1-O 3.45Å; H244-H246 AromaticContact CE1-CE1 3.23Å; H244-H246 PolarHBondContact CE1-CE1 2.92Å; H244-H246 AromaticContact CE1-CG 3.99Å; H244-H246 AromaticContact CE1-ND1 3.37Å; H244-H246 PolarHBondContact CE1-ND1 3.08Å; H244-H246 AromaticContact CE1-NE2 3.83Å; H244-H246 AromaticContact CG-CE1 3.95Å; H244-H246 AromaticContact CG-NE2 3.78Å; H244-H246 AromaticContact ND1-CE1 3.25Å; H244-H246 PolarHBondContact ND1-CE1 2.71Å; H244-H246 VanDerWaalsContact ND1-CE1 3.25Å; H244-H246 AromaticContact ND1-ND1 3.83Å; H244-H246 AromaticContact ND1-NE2 3.48Å; H244-H246 PolarHBondContact ND1-NE2 3.15Å; H244-H246 AromaticContact NE2-CE1 3.91Å; H244-H246 AromaticContact NE2-CG 3.94Å; H244-H246 AromaticContact NE2-ND1 3.7Å; H246-K248 HydrophobicContact CB-CD 4.44Å; H246-K248 HydrophobicContact CB-CG 3.83Å; H246-K248 PolarHBondContact O-N 3.02Å; H246-T259 HydrophobicContact CB-CG2 4.28Å; H246-T259 WeakPolarHBondContact CB-O 3.36Å; H246-T259 PolarHBondContact N-O 2.91Å; H246-T261 PolarHBondContact NE2-OG1 3.32Å |
| 247 | R | 92.1 | Very high | 91.1 | Very high | 139 Ų | 139 | 64.9 Ų | 64.9 | 53% | 0.525 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 50.4 | 174.4 | -161.1 | 179.2 | -176.6 | -94.3 | 4.4 | 112.3 | E168 L180 I210 | E168-R247 IonicContact OE1-CZ 3.42Å; E168-R247 IonicContact OE1-NE 3.59Å; E168-R247 IonicContact OE1-NH2 3.76Å; E168-R247 PolarHBondContact OE1-NH2 3.33Å; E168-R247 IonicContact OE2-NE 3.07Å; L180-R247 HydrophobicContact CD2-CG 4.49Å; I210-R247 HydrophobicContact CD1-CB 4.32Å; I210-R247 HydrophobicContact CD1-CG 3.72Å |
| 248 | K | 91.8 | Very high | 91.1 | Very high | 90 Ų | 90 | 65.7 Ų | 65.7 | 39% | 0.391 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 160.2 | 176.6 | 63.5 | 177.4 | 170.5 | 156.4 | 0 | 110.3 | H246 E250 T259 | H246-K248 HydrophobicContact CB-CD 4.44Å; H246-K248 HydrophobicContact CB-CG 3.83Å; H246-K248 PolarHBondContact O-N 3.02Å; K248-E250 WeakPolarHBondContact CE-OE1 3.3Å; K248-E250 IonicContact NZ-OE1 2.69Å; K248-E250 PolarHBondContact NZ-OE1 2.83Å; K248-T259 PolarHBondContact O-N 3.24Å |
| 249 | F | 92.9 | Very high | 91.1 | Very high | 110 Ų | 110 | 64.7 Ų | 64.7 | 48% | 0.482 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 140.4 | 173.2 | -63.2 | -98.1 | 0 | 0 | 0 | 109 | I210 V256 A257 P258 | I210-F249 HydrophobicContact CB-CZ 4.48Å; I210-F249 HydrophobicContact CD1-CE2 4.1Å; I210-F249 HydrophobicContact CD1-CZ 4.36Å; I210-F249 HydrophobicContact CG1-CE2 4.03Å; I210-F249 HydrophobicContact CG1-CZ 3.87Å; I210-F249 HydrophobicContact CG2-CZ 4.26Å; F249-V256 HydrophobicContact CB-CG1 3.58Å; F249-V256 HydrophobicContact CD1-CG1 4.05Å; F249-V256 HydrophobicContact CG-CG1 4.14Å; F249-A257 WeakPolarHBondContact CA-O 3.49Å; F249-P258 HydrophobicContact CD1-CG 3.97Å; F249-P258 HydrophobicContact CE1-CB 4.5Å; F249-P258 HydrophobicContact CE1-CG 3.69Å |
| 250 | E | 91.2 | Very high | 91.3 | Very high | 60 Ų | 60 | 65.9 Ų | 65.9 | 28% | 0.28 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 153.3 | 175.8 | -78.3 | 166.2 | 178.6 | 0 | 0 | 109.7 | K248 Y252 A257 T259 | K248-E250 WeakPolarHBondContact CE-OE1 3.3Å; K248-E250 IonicContact NZ-OE1 2.69Å; K248-E250 PolarHBondContact NZ-OE1 2.83Å; E250-Y252 HydrophobicContact CB-CD2 4.26Å; E250-Y252 HydrophobicContact CB-CE2 3.57Å; E250-Y252 PolarHBondContact OE2-OH 2.89Å; E250-A257 PolarHBondContact N-O 3.03Å; E250-A257 PolarHBondContact O-N 2.86Å; E250-T259 WeakPolarHBondContact CB-OG1 3.43Å; E250-T259 WeakPolarHBondContact CG-OG1 3.21Å; E250-T259 WeakPolarHBondContact OE2-CG2 3.37Å; E250-T259 PolarHBondContact OE2-OG1 2.94Å |
| 251 | K | 89.5 | Confident | 91.3 | Very high | 139 Ų | 139 | 68.1 Ų | 68.1 | 60% | 0.604 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 116.5 | -178.6 | -169.1 | 177.3 | 174.5 | -171.2 | 0 | 109.3 | D254 M255 | K251-D254 VanDerWaalsContact CE-CA 3.44Å; K251-D254 WeakPolarHBondContact CE-OD1 3.21Å; K251-D254 IonicContact NZ-OD1 3.76Å; K251-D254 PolarHBondContact NZ-OD1 2.83Å; K251-M255 CarbonylContact C-O 3.59Å; K251-M255 WeakPolarHBondContact CA-O 3.42Å |
| 252 | Y | 81.1 | Confident | 91.3 | Very high | 118 Ų | 118 | 72.6 Ų | 72.6 | 46% | 0.463 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 120.9 | 175.6 | -66.4 | -86.5 | 0 | 0 | 0 | 109.1 | E250 D254 M255 A257 | E250-Y252 HydrophobicContact CB-CD2 4.26Å; E250-Y252 HydrophobicContact CB-CE2 3.57Å; E250-Y252 PolarHBondContact OE2-OH 2.89Å; Y252-D254 VanDerWaalsContact C-N 3.27Å; Y252-D254 PolarHBondContact O-N 3.46Å; Y252-D254 VanDerWaalsContact O-N 3.17Å; Y252-M255 PolarHBondContact N-O 3.47Å; Y252-M255 PolarHBondContact O-N 2.87Å; Y252-A257 HydrophobicContact CD2-CB 4.27Å |
| 253 | H | 84.8 | Confident | 91.1 | Very high | 187 Ų | 187 | 74.1 Ų | 74.1 | 87% | 0.866 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.8 | 49.8 | 178.9 | -57.8 | 98.2 | 0 | 0 | 0 | 113.5 | M255 | H253-M255 PolarHBondContact O-N 2.95Å; H253-M255 VanDerWaalsContact O-N 3.16Å |
| 254 | D | 85.9 | Confident | 90.6 | Very high | 132 Ų | 132 | 78.4 Ų | 78.4 | 71% | 0.706 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.2 | -0.3 | -176.4 | -64.6 | -51.3 | 0 | 0 | 0 | 118.4 | K251 Y252 | K251-D254 VanDerWaalsContact CE-CA 3.44Å; K251-D254 WeakPolarHBondContact CE-OD1 3.21Å; K251-D254 IonicContact NZ-OD1 3.76Å; K251-D254 PolarHBondContact NZ-OD1 2.83Å; Y252-D254 VanDerWaalsContact C-N 3.27Å; Y252-D254 PolarHBondContact O-N 3.46Å; Y252-D254 VanDerWaalsContact O-N 3.17Å |
| 255 | M | 88.1 | Confident | 89.9 | Confident | 141 Ų | 141 | 79.8 Ų | 79.8 | 70% | 0.695 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 134.5 | 173.4 | -58.2 | -172.2 | 72 | 0 | 0 | 111 | K251 Y252 H253 | K251-M255 CarbonylContact C-O 3.59Å; K251-M255 WeakPolarHBondContact CA-O 3.42Å; Y252-M255 PolarHBondContact N-O 3.47Å; Y252-M255 PolarHBondContact O-N 2.87Å; H253-M255 PolarHBondContact O-N 2.95Å; H253-M255 VanDerWaalsContact O-N 3.16Å |
| 256 | V | 90.2 | Very high | 88.6 | Confident | 105 Ų | 105 | 84.5 Ų | 84.5 | 64% | 0.636 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 118.7 | 172.1 | 179.2 | 0 | 0 | 0 | 0 | 108 | F249 | F249-V256 HydrophobicContact CB-CG1 3.58Å; F249-V256 HydrophobicContact CD1-CG1 4.05Å; F249-V256 HydrophobicContact CG-CG1 4.14Å |
| 257 | A | 92 | Very high | 87 | Confident | 34 Ų | 34 | 89.9 Ų | 89.9 | 28% | 0.281 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 147.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | F249 E250 Y252 | F249-A257 WeakPolarHBondContact CA-O 3.49Å; E250-A257 PolarHBondContact N-O 3.03Å; E250-A257 PolarHBondContact O-N 2.86Å; Y252-A257 HydrophobicContact CD2-CB 4.27Å |
| 258 | P | 94.9 | Very high | 85.3 | Confident | 34 Ų | 34 | 85.5 Ų | 85.5 | 22% | 0.221 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.5 | 135.5 | 170.1 | -27.3 | 38.3 | 0 | 0 | 0 | 111.9 | I210 K211 W212 F249 | I210-P258 HydrophobicContact CG2-CB 3.66Å; I210-P258 HydrophobicContact CG2-CG 3.75Å; K211-P258 WeakPolarHBondContact O-CG 3.37Å; W212-P258 VanDerWaalsContact CD1-CB 3.49Å; W212-P258 HydrophobicContact CG-CB 4.18Å; F249-P258 HydrophobicContact CD1-CG 3.97Å; F249-P258 HydrophobicContact CE1-CB 4.5Å; F249-P258 HydrophobicContact CE1-CG 3.69Å |
| 259 | T | 94.2 | Very high | 83.3 | Confident | 6 Ų | 6 | 89.5 Ų | 89.5 | 4% | 0.037 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 137.6 | 179.4 | -56 | 0 | 0 | 0 | 0 | 111.3 | W212 H246 K248 E250 | W212-T259 PolarHBondContact NE1-O 2.83Å; W212-T259 VanDerWaalsContact NE1-O 3.14Å; H246-T259 HydrophobicContact CB-CG2 4.28Å; H246-T259 WeakPolarHBondContact CB-O 3.36Å; H246-T259 PolarHBondContact N-O 2.91Å; K248-T259 PolarHBondContact O-N 3.24Å; E250-T259 WeakPolarHBondContact CB-OG1 3.43Å; E250-T259 WeakPolarHBondContact CG-OG1 3.21Å; E250-T259 WeakPolarHBondContact OE2-CG2 3.37Å; E250-T259 PolarHBondContact OE2-OG1 2.94Å |
| 260 | L | 94.1 | Very high | 81.3 | Confident | 40 Ų | 40 | 89 Ų | 89 | 21% | 0.209 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 152 | 169.7 | 61.4 | 88.7 | 0 | 0 | 0 | 110 | W212 H244 L245 Y262 | W212-L260 HydrophobicContact CB-CD2 4.24Å; H244-L260 CarbonylContact O-C 3.59Å; H244-L260 WeakPolarHBondContact O-CA 3.44Å; H244-L260 WeakPolarHBondContact O-CB 3.22Å; L245-L260 HydrophobicContact CD2-CB 3.98Å; L260-Y262 HydrophobicContact CD1-CD1 4.42Å; L260-Y262 HydrophobicContact CD1-CD2 3.64Å; L260-Y262 HydrophobicContact CD1-CE1 3.99Å; L260-Y262 HydrophobicContact CD1-CE2 3.15Å; L260-Y262 HydrophobicContact CD1-CG 4.25Å |
| 261 | T | 92.1 | Very high | 80 | Confident | 53 Ų | 53 | 87.9 Ų | 87.9 | 33% | 0.325 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 124.5 | 176.5 | -57.2 | 0 | 0 | 0 | 0 | 109.2 | A243 H244 H246 Y263 | A243-T261 CarbonylContact C-O 3.56Å; A243-T261 VanDerWaalsContact CA-O 3.24Å; A243-T261 WeakPolarHBondContact CA-O 3.2Å; H244-T261 PolarHBondContact N-O 3.26Å; H244-T261 PolarHBondContact O-N 2.85Å; H246-T261 PolarHBondContact NE2-OG1 3.32Å; T261-Y263 HydrophobicContact CG2-CE2 3.88Å |
| 262 | Y | 91.6 | Very high | 79.4 | Confident | 95 Ų | 95 | 86 Ų | 86 | 37% | 0.373 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 139.8 | 177.4 | -71.8 | -69.6 | 0 | 0 | 0 | 112.1 | L214 A215 Q237 A243 L260 | L214-Y262 VanDerWaalsContact CA-OH 3.31Å; L214-Y262 WeakPolarHBondContact CA-OH 3.45Å; A215-Y262 PolarHBondContact N-OH 3.04Å; Q237-Y262 HydrophobicContact CG-CD1 4.38Å; Q237-Y262 HydrophobicContact CG-CE1 4.28Å; A243-Y262 HydrophobicContact CB-CD1 3.85Å; A243-Y262 HydrophobicContact CB-CE1 3.94Å; L260-Y262 HydrophobicContact CD1-CD1 4.42Å; L260-Y262 HydrophobicContact CD1-CD2 3.64Å; L260-Y262 HydrophobicContact CD1-CE1 3.99Å; L260-Y262 HydrophobicContact CD1-CE2 3.15Å; L260-Y262 HydrophobicContact CD1-CG 4.25Å |
| 263 | Y | 89.4 | Confident | 79.5 | Confident | 49 Ų | 49 | 85.9 Ų | 85.9 | 19% | 0.192 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 94.4 | 169.5 | -61.5 | -98.8 | 0 | 0 | 0 | 106.6 | G241 F242 H244 T261 H319 | G241-Y263 VanDerWaalsContact CA-O 3.3Å; G241-Y263 WeakPolarHBondContact CA-O 3.45Å; F242-Y263 AromaticContact CD2-CD2 3.86Å; F242-Y263 HydrophobicContact CD2-CD2 3.86Å; F242-Y263 HydrophobicContact CD2-CG 4.27Å; F242-Y263 VanDerWaalsContact CE1-CB 3.41Å; F242-Y263 HydrophobicContact CE1-CD1 4.46Å; F242-Y263 HydrophobicContact CE1-CD2 4.44Å; F242-Y263 AromaticContact CE1-CG 3.89Å; F242-Y263 HydrophobicContact CE1-CG 3.89Å; F242-Y263 HydrophobicContact CE2-CD1 4.3Å; F242-Y263 AromaticContact CE2-CD2 3.37Å; F242-Y263 HydrophobicContact CE2-CD2 3.37Å; F242-Y263 AromaticContact CE2-CE2 3.88Å; F242-Y263 HydrophobicContact CE2-CE2 3.88Å; F242-Y263 AromaticContact CE2-CG 3.61Å; F242-Y263 HydrophobicContact CE2-CG 3.61Å; F242-Y263 VanDerWaalsContact CZ-CB 3.49Å; F242-Y263 AromaticContact CZ-CD1 3.82Å; F242-Y263 HydrophobicContact CZ-CD1 3.82Å; F242-Y263 AromaticContact CZ-CD2 3.71Å; F242-Y263 HydrophobicContact CZ-CD2 3.71Å; F242-Y263 HydrophobicContact CZ-CE1 4.44Å; F242-Y263 HydrophobicContact CZ-CE2 4.37Å; F242-Y263 AromaticContact CZ-CG 3.39Å; F242-Y263 HydrophobicContact CZ-CG 3.39Å; F242-Y263 PolarHBondContact N-O 3.11Å; F242-Y263 PolarHBondContact O-N 3.09Å; H244-Y263 HydrophobicContact CB-CE2 4.04Å; T261-Y263 HydrophobicContact CG2-CE2 3.88Å; Y263-H319 AromaticContact CE1-CE1 3.77Å; Y263-H319 AromaticContact CZ-CE1 3.81Å; Y263-H319 PolarHBondContact OH-CE1 2.81Å; Y263-H319 PolarHBondContact OH-NE2 2.91Å |
| 264 | P | 84.5 | Confident | 79.6 | Confident | 90 Ų | 90 | 84.8 Ų | 84.8 | 58% | 0.584 | 46% | 0.456 | S | S | * | . | trans | -66.8 | 154.7 | -174 | 28 | -34.4 | 0 | 0 | 0 | 111.4 | ||||
| 265 | P | 77.7 | Confident | 79.9 | Confident | 35 Ų | 35 | 79 Ų | 79 | 23% | 0.227 | 43% | 0.426 | C | S | . | . | trans | -66.8 | 147.9 | 174.4 | 29.5 | -34.9 | 0 | 0 | 0 | 111.5 | S239 I267 | S239-P265 WeakPolarHBondContact O-CB 3.2Å; P265-I267 PolarHBondContact O-N 2.72Å; P265-I267 VanDerWaalsContact O-N 3.14Å | ||
| 266 | R | 70.2 | Confident | 80.2 | Confident | 102 Ų | 102 | 77.2 Ų | 77.2 | 39% | 0.385 | 41% | 0.412 | S | S | . | . | trans | -65.3 | 112.9 | 160.9 | -69.5 | -173.1 | 176 | 154.3 | 4.4 | 108.5 | S268 R312 D326 I329 | R266-S268 PolarHBondContact O-N 3.36Å; R266-S268 VanDerWaalsContact O-N 3.16Å; R266-R312 PolarHBondContact O-NH2 2.97Å; R266-D326 IonicContact CZ-OD1 3.86Å; R266-D326 IonicContact NE-OD1 2.75Å; R266-D326 PolarHBondContact NE-OD1 3.17Å; R266-D326 VanDerWaalsContact NE-OD1 3.09Å; R266-D326 PolarHBondContact NH2-O 3.25Å; R266-D326 IonicContact NH2-OD1 2.75Å; R266-D326 PolarHBondContact NH2-OD1 3.16Å; R266-I329 VanDerWaalsContact CZ-CD1 3.5Å | ||
| 267 | I | 58.7 | Low | 80.4 | Confident | 128 Ų | 128 | 72.3 Ų | 72.3 | 66% | 0.656 | 38% | 0.382 | S | S | * | . | trans | -71.4 | 104.3 | 174.3 | -57 | 169.5 | 0 | 0 | 0 | 107.4 | P265 | P265-I267 PolarHBondContact O-N 2.72Å; P265-I267 VanDerWaalsContact O-N 3.14Å | ||
| 268 | S | 55.7 | Low | 80.7 | Confident | 47 Ų | 47 | 71.2 Ų | 71.2 | 33% | 0.329 | 37% | 0.37 | S | S | . | . | trans | -78.5 | 138.8 | 156.7 | 131.1 | 0 | 0 | 0 | 0 | 107.3 | R266 S270 N271 | R266-S268 PolarHBondContact O-N 3.36Å; R266-S268 VanDerWaalsContact O-N 3.16Å; S268-S270 PolarHBondContact O-N 3.35Å; S268-S270 PolarHBondContact OG-OG 2.74Å; S268-N271 PolarHBondContact O-N 2.9Å; S268-N271 PolarHBondContact OG-OD1 2.81Å | ||
| 269 | N | 51.1 | Low | 80.8 | Confident | 174 Ų | 174 | 69.8 Ų | 69.8 | 93% | 0.93 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -3.9 | -172.4 | -77.7 | -12.5 | 0 | 0 | 0 | 115.6 | ||
| 270 | S | 51.5 | Low | 80.9 | Confident | 100 Ų | 100 | 70.2 Ų | 70.2 | 70% | 0.699 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.3 | 9.3 | -173.1 | 58.5 | 0 | 0 | 0 | 0 | 116.1 | S268 | S268-S270 PolarHBondContact O-N 3.35Å; S268-S270 PolarHBondContact OG-OG 2.74Å |
| 271 | N | 63.2 | Low | 80.9 | Confident | 37 Ų | 37 | 68.3 Ų | 68.3 | 20% | 0.198 | 35% | 0.353 | C | S | . | . | trans | -100.9 | 136.3 | -163 | -65.3 | 14.5 | 0 | 0 | 0 | 113.2 | S268 L273 H310 | S268-N271 PolarHBondContact O-N 2.9Å; S268-N271 PolarHBondContact OG-OD1 2.81Å; N271-L273 PolarHBondContact O-N 2.7Å; N271-L273 VanDerWaalsContact O-N 3.14Å; N271-H310 PolarHBondContact ND2-NE2 2.86Å; N271-H310 VanDerWaalsContact ND2-NE2 3.16Å | ||
| 272 | N | 77 | Confident | 81 | Confident | 100 Ų | 100 | 66.9 Ų | 66.9 | 54% | 0.535 | 34% | 0.343 | S | S | . | . | trans | -60.2 | 113.4 | 167.6 | 173.8 | 5.7 | 0 | 0 | 0 | 108.7 | S239 E274 T275 | S239-N272 PolarHBondContact OG-O 3.19Å; N272-E274 PolarHBondContact O-N 3.23Å; N272-E274 VanDerWaalsContact O-N 3.09Å; N272-E274 PolarHBondContact OD1-N 3.25Å; N272-T275 WeakPolarHBondContact CB-OG1 3.27Å; N272-T275 WeakPolarHBondContact O-CB 3.44Å; N272-T275 PolarHBondContact O-N 3.37Å; N272-T275 VanDerWaalsContact O-N 3.09Å; N272-T275 PolarHBondContact O-OG1 2.8Å | ||
| 273 | L | 82.6 | Confident | 81.1 | Confident | 115 Ų | 115 | 62.4 Ų | 62.4 | 60% | 0.602 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -15.1 | -175.3 | -68.4 | 174.6 | 0 | 0 | 0 | 113.3 | P238 S239 N271 | P238-L273 VanDerWaalsContact CB-O 3.23Å; P238-L273 WeakPolarHBondContact CB-O 3.33Å; S239-L273 WeakPolarHBondContact OG-CA 3.23Å; S239-L273 PolarHBondContact OG-O 3.48Å; N271-L273 PolarHBondContact O-N 2.7Å; N271-L273 VanDerWaalsContact O-N 3.14Å |
| 274 | E | 87.3 | Confident | 81.1 | Confident | 163 Ų | 163 | 62.2 Ų | 62.2 | 76% | 0.762 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | 5.5 | 179.3 | -57.7 | -170.9 | 159.4 | 0 | 0 | 113.4 | N272 R276 | N272-E274 PolarHBondContact O-N 3.23Å; N272-E274 VanDerWaalsContact O-N 3.09Å; N272-E274 PolarHBondContact OD1-N 3.25Å; E274-R276 PolarHBondContact O-N 2.91Å |
| 275 | T | 91.9 | Very high | 80.9 | Confident | 11 Ų | 11 | 60.7 Ų | 60.7 | 7% | 0.067 | 31% | 0.313 | C | S | . | . | trans | -56.1 | 127 | -178.4 | -64.3 | 0 | 0 | 0 | 0 | 111.3 | P238 S239 N272 A307 D308 | P238-T275 CarbonylContact C-O 3.53Å; P238-T275 WeakPolarHBondContact CA-O 3.19Å; S239-T275 PolarHBondContact N-O 2.97Å; N272-T275 WeakPolarHBondContact CB-OG1 3.27Å; N272-T275 WeakPolarHBondContact O-CB 3.44Å; N272-T275 PolarHBondContact O-N 3.37Å; N272-T275 VanDerWaalsContact O-N 3.09Å; N272-T275 PolarHBondContact O-OG1 2.8Å; T275-A307 HydrophobicContact CG2-CB 3.93Å; T275-D308 HydrophobicContact CG2-CB 4.23Å | ||
| 276 | R | 94.2 | Very high | 80.6 | Confident | 104 Ų | 104 | 59.6 Ų | 59.6 | 39% | 0.392 | 31% | 0.306 | S | S | . | . | trans | -60.1 | 143.5 | 177.9 | -67.9 | 178.6 | -70.2 | 176.4 | -2.9 | 111 | E274 W278 T306 A307 E340 | E274-R276 PolarHBondContact O-N 2.91Å; R276-W278 HydrophobicContact CB-CH2 3.95Å; R276-W278 HydrophobicContact CB-CZ3 4.16Å; R276-T306 CarbonylContact O-C 3.56Å; R276-T306 VanDerWaalsContact O-CA 3.31Å; R276-T306 WeakPolarHBondContact O-CA 3.48Å; R276-A307 HydrophobicContact CB-CB 4.4Å; R276-A307 PolarHBondContact O-N 3.06Å; R276-E340 IonicContact NH2-OE2 2.65Å; R276-E340 PolarHBondContact NH2-OE2 2.96Å; R276-E340 VanDerWaalsContact NH2-OE2 3.07Å | ||
| 277 | T | 95.4 | Very high | 80 | Confident | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.006 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 131 | -178.2 | -59.6 | 0 | 0 | 0 | 0 | 109.7 | N219 S236 Q237 S239 G240 L304 C305 | N219-T277 WeakPolarHBondContact CB-O 3.49Å; N219-T277 PolarHBondContact ND2-O 3.01Å; N219-T277 VanDerWaalsContact ND2-O 3.15Å; S236-T277 WeakPolarHBondContact CB-O 3.33Å; S236-T277 PolarHBondContact OG-O 3.37Å; Q237-T277 WeakPolarHBondContact O-CB 3.19Å; Q237-T277 PolarHBondContact O-OG1 2.96Å; S239-T277 PolarHBondContact N-OG1 3.17Å; G240-T277 PolarHBondContact N-OG1 3.33Å; T277-L304 HydrophobicContact CG2-CB 4.43Å; T277-L304 HydrophobicContact CG2-CD2 4.15Å; T277-C305 CarbonylContact C-O 3.32Å; T277-C305 WeakPolarHBondContact CA-O 3.22Å |
| 278 | W | 97 | Very high | 79.5 | Confident | 11 Ų | 11 | 60 Ų | 60 | 4% | 0.042 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 145.9 | 165 | -64 | -101.7 | 0 | 0 | 0 | 108.3 | N219 R220 R276 L304 C305 A307 L341 F342 L344 | N219-W278 VanDerWaalsContact ND2-CE2 3.25Å; N219-W278 PolarHBondContact ND2-NE1 2.83Å; R220-W278 HydrophobicContact CG-CB 4.33Å; R220-W278 HydrophobicContact CG-CG 4.17Å; R276-W278 HydrophobicContact CB-CH2 3.95Å; R276-W278 HydrophobicContact CB-CZ3 4.16Å; W278-L304 CarbonylContact O-C 3.56Å; W278-L304 WeakPolarHBondContact O-CA 3.07Å; W278-C305 PolarHBondContact N-O 3.38Å; W278-C305 PolarHBondContact O-N 3.34Å; W278-A307 HydrophobicContact CH2-CB 4.04Å; W278-A307 HydrophobicContact CZ3-CB 3.77Å; W278-L341 VanDerWaalsContact CH2-O 3.25Å; W278-L341 WeakPolarHBondContact CH2-O 3.35Å; W278-L341 VanDerWaalsContact CZ3-O 3.29Å; W278-L341 WeakPolarHBondContact CZ3-O 3.36Å; W278-F342 VanDerWaalsContact CH2-CA 3.5Å; W278-F342 HydrophobicContact CH2-CB 4.31Å; W278-F342 VanDerWaalsContact CZ2-CA 3.46Å; W278-F342 HydrophobicContact CZ2-CB 4.18Å; W278-F342 WeakPolarHBondContact CZ2-O 3.33Å; W278-F342 PolarHBondContact NE1-O 3.28Å; W278-L344 HydrophobicContact CB-CB 3.75Å; W278-L344 HydrophobicContact CB-CD2 4.33Å |
| 279 | L | 96.7 | Very high | 79 | Confident | 5 Ų | 5 | 59.8 Ų | 59.8 | 3% | 0.026 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 153.4 | 170.9 | 65.7 | 70.2 | 0 | 0 | 0 | 109.6 | D222 I234 F242 L302 C303 L304 | D222-L279 HydrophobicContact CB-CD1 3.66Å; I234-L279 HydrophobicContact CB-CD2 4.39Å; I234-L279 HydrophobicContact CD1-CD1 3.62Å; I234-L279 HydrophobicContact CD1-CD2 4.31Å; I234-L279 HydrophobicContact CG1-CD1 3.83Å; I234-L279 HydrophobicContact CG1-CD2 4.45Å; F242-L279 HydrophobicContact CB-CD2 3.9Å; L279-L302 HydrophobicContact CB-CD1 4.03Å; L279-L302 HydrophobicContact CD1-CD1 4.49Å; L279-C303 CarbonylContact C-O 3.57Å; L279-C303 VanDerWaalsContact CA-O 3.25Å; L279-C303 WeakPolarHBondContact CA-O 3.34Å; L279-L304 HydrophobicContact CB-CD2 4.31Å; L279-L304 HydrophobicContact CB-CG 4.2Å |
| 280 | I | 96.6 | Very high | 78.4 | Confident | 15 Ų | 15 | 59.6 Ų | 59.6 | 8% | 0.077 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 133.4 | 168.7 | 62.1 | 176.7 | 0 | 0 | 0 | 108.6 | D222 V283 L302 C303 L344 C345 K346 L357 | D222-I280 WeakPolarHBondContact OD2-CA 3.46Å; I280-V283 HydrophobicContact CD1-CG2 4.1Å; I280-V283 HydrophobicContact CG1-CG2 4.01Å; I280-L302 WeakPolarHBondContact O-CD1 3.49Å; I280-C303 HydrophobicContact CD1-CB 4.35Å; I280-C303 HydrophobicContact CG1-CB 3.84Å; I280-C303 PolarHBondContact N-O 3.32Å; I280-C303 PolarHBondContact O-N 2.91Å; I280-L344 HydrophobicContact CD1-CD1 4.18Å; I280-L344 HydrophobicContact CD1-CD2 4.45Å; I280-L344 HydrophobicContact CD1-CG 3.99Å; I280-L344 HydrophobicContact CG1-CD2 3.97Å; I280-L344 HydrophobicContact CG1-CG 4.03Å; I280-L344 HydrophobicContact CG2-CD2 4.21Å; I280-L344 HydrophobicContact CG2-CG 3.98Å; I280-C345 VanDerWaalsContact CD1-C 3.42Å; I280-K346 HydrophobicContact CD1-CB 3.69Å; I280-K346 HydrophobicContact CD1-CG 4.19Å; I280-L357 HydrophobicContact CD1-CD2 3.76Å |
| 281 | G | 94.9 | Very high | 78 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | -176.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | D222 T223 V283 K346 | D222-G281 PolarHBondContact OD2-N 3.14Å; T223-G281 WeakPolarHBondContact O-CA 3.18Å; G281-V283 VanDerWaalsContact C-N 3.26Å; G281-V283 PolarHBondContact O-N 3.01Å; G281-K346 PolarHBondContact O-NZ 2.86Å |
| 282 | N | 93.4 | Very high | 77 | Confident | 23 Ų | 23 | 65 Ų | 65 | 12% | 0.123 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 59.6 | 29.6 | 172.2 | -71.1 | -43 | 0 | 0 | 0 | 114.8 | T223 C224 L225 N284 R300 L301 K346 | T223-N282 PolarHBondContact O-ND2 3.38Å; T223-N282 PolarHBondContact OG1-ND2 2.89Å; T223-N282 VanDerWaalsContact OG1-ND2 3.17Å; C224-N282 WeakPolarHBondContact CA-OD1 3.37Å; L225-N282 WeakPolarHBondContact CB-OD1 3.42Å; L225-N282 PolarHBondContact N-OD1 2.76Å; N282-N284 PolarHBondContact O-N 3.41Å; N282-R300 WeakPolarHBondContact OD1-CD 3.06Å; N282-L301 PolarHBondContact N-O 3.18Å; N282-K346 PolarHBondContact O-NZ 3.04Å |
| 283 | V | 93.4 | Very high | 75.5 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 120.6 | 179.8 | 177.9 | 0 | 0 | 0 | 0 | 109 | I280 G281 L301 C303 L313 K346 D355 L357 | I280-V283 HydrophobicContact CD1-CG2 4.1Å; I280-V283 HydrophobicContact CG1-CG2 4.01Å; G281-V283 VanDerWaalsContact C-N 3.26Å; G281-V283 PolarHBondContact O-N 3.01Å; V283-L301 HydrophobicContact CB-CB 4.05Å; V283-L301 WeakPolarHBondContact CB-O 3.18Å; V283-L301 PolarHBondContact N-O 3.39Å; V283-L301 PolarHBondContact O-N 3.5Å; V283-C303 HydrophobicContact CG2-CB 4.31Å; V283-L313 HydrophobicContact CG1-CD1 4.38Å; V283-K346 HydrophobicContact CG2-CD 4.24Å; V283-D355 HydrophobicContact CG1-CB 4.22Å; V283-L357 HydrophobicContact CG1-CD2 3.88Å; V283-L357 HydrophobicContact CG2-CD2 3.8Å |
| 284 | N | 89.2 | Confident | 73.6 | Confident | 46 Ų | 46 | 65.7 Ų | 65.7 | 25% | 0.246 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -80.2 | 130.6 | -179.5 | -60.3 | -52 | 0 | 0 | 0 | 111.1 | N282 R300 D355 | N282-N284 PolarHBondContact O-N 3.41Å; N284-R300 PolarHBondContact OD1-NE 3.27Å; N284-R300 PolarHBondContact OD1-NH2 2.98Å; N284-D355 WeakPolarHBondContact CB-OD2 3.27Å; N284-D355 PolarHBondContact N-OD2 3.1Å; N284-D355 PolarHBondContact ND2-OD2 3.2Å; N284-D355 VanDerWaalsContact ND2-OD2 3.07Å; N284-D355 PolarHBondContact O-N 3.44Å |
| 285 | H | 81.7 | Confident | 71.5 | Confident | 58 Ų | 58 | 63.6 Ų | 63.6 | 27% | 0.269 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -84.7 | 141.4 | 171.1 | -173.5 | -87.1 | 0 | 0 | 0 | 110.4 | N287 L301 I371 | H285-N287 PolarHBondContact O-N 2.97Å; H285-L301 HydrophobicContact CB-CD1 4.25Å; H285-I371 VanDerWaalsContact CD2-CD1 3.44Å; H285-I371 WeakPolarHBondContact CD2-CD1 3.03Å; H285-I371 WeakPolarHBondContact NE2-CD1 3.1Å |
| 286 | S | 70 | Confident | 69.2 | Low | 12 Ų | 12 | 72.4 Ų | 72.4 | 8% | 0.084 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -72 | 127.5 | 175.1 | -171 | 0 | 0 | 0 | 0 | 110.4 | D288 | S286-D288 PolarHBondContact O-N 2.84Š|
| 287 | N | 57.9 | Low | 67.2 | Low | 102 Ų | 102 | 73.3 Ų | 73.3 | 55% | 0.545 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -9.5 | 179 | -77.9 | -22.3 | 0 | 0 | 0 | 114.2 | H285 T289 | H285-N287 PolarHBondContact O-N 2.97Å; N287-T289 PolarHBondContact O-N 2.85Å |
| 288 | D | 49.6 | Very low | 65.3 | Low | 137 Ų | 137 | 79 Ų | 79 | 73% | 0.733 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -1.6 | -172.2 | -83.3 | -20.3 | 0 | 0 | 0 | 115 | S286 N290 | S286-D288 PolarHBondContact O-N 2.84Å; D288-N290 PolarHBondContact O-N 3.28Å |
| 289 | T | 43.8 | Very low | 63.6 | Low | 42 Ų | 42 | 79.5 Ų | 79.5 | 26% | 0.258 | 42% | 0.42 | S | S | . | . | trans | -77.5 | 116.8 | 169.6 | 62.8 | 0 | 0 | 0 | 0 | 109.7 | N287 T291 | N287-T289 PolarHBondContact O-N 2.85Å; T289-T291 PolarHBondContact O-N 3.27Å; T289-T291 PolarHBondContact OG1-OG1 3.4Å | ||
| 290 | N | 39 | Very low | 63 | Low | 170 Ų | 170 | 83.1 Ų | 83.1 | 91% | 0.909 | 43% | 0.433 | S | S | * | . | trans | -56.6 | 19.7 | 159.1 | -85.5 | -25.7 | 0 | 0 | 0 | 113.9 | D288 | D288-N290 PolarHBondContact O-N 3.28Š| ||
| 291 | T | 43.3 | Very low | 62.7 | Low | 76 Ų | 76 | 82.6 Ų | 82.6 | 47% | 0.466 | 43% | 0.431 | S | S | . | . | trans | -66.3 | 135.7 | 167.9 | 57.6 | 0 | 0 | 0 | 0 | 107.1 | T289 I293 | T289-T291 PolarHBondContact O-N 3.27Å; T289-T291 PolarHBondContact OG1-OG1 3.4Å; T291-I293 PolarHBondContact O-N 3.35Å | ||
| 292 | I | 41.4 | Very low | 62.6 | Low | 174 Ų | 174 | 82.7 Ų | 82.7 | 89% | 0.892 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -73.3 | 47.3 | -176.5 | -54.9 | 158.5 | 0 | 0 | 0 | 109.2 | ||
| 293 | I | 47.2 | Very low | 62.7 | Low | 117 Ų | 117 | 81.6 Ų | 81.6 | 60% | 0.6 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -99.7 | 104.4 | 170.6 | -54.4 | 177.8 | 0 | 0 | 0 | 104.2 | T291 S295 | T291-I293 PolarHBondContact O-N 3.35Å; I293-S295 PolarHBondContact O-N 3.24Å; I293-S295 VanDerWaalsContact O-N 3.14Å |
| 294 | D | 41.2 | Very low | 62.8 | Low | 112 Ų | 112 | 81.8 Ų | 81.8 | 60% | 0.599 | 43% | 0.426 | S | S | * | . | trans | -35.5 | 118.9 | -178.4 | -82.3 | -38.4 | 0 | 0 | 0 | 112 | K296 K297 | D294-K296 PolarHBondContact O-N 3.42Å; D294-K297 PolarHBondContact O-N 2.75Å | ||
| 295 | S | 42.9 | Very low | 63.1 | Low | 120 Ų | 120 | 79.6 Ų | 79.6 | 84% | 0.839 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 11 | 176.8 | 51.9 | 0 | 0 | 0 | 0 | 115.3 | I293 | I293-S295 PolarHBondContact O-N 3.24Å; I293-S295 VanDerWaalsContact O-N 3.14Å |
| 296 | K | 44.5 | Very low | 63.8 | Low | 196 Ų | 196 | 77 Ų | 77 | 85% | 0.852 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.5 | -0.9 | 174.9 | -80 | -178.1 | 174.4 | 177.3 | 0 | 114.3 | D294 | D294-K296 PolarHBondContact O-N 3.42Š|
| 297 | K | 52.1 | Low | 64.9 | Low | 122 Ų | 122 | 76.7 Ų | 76.7 | 53% | 0.53 | 40% | 0.401 | S | S | . | . | trans | -120.9 | 79.5 | -178.3 | -70.2 | -179.2 | -179.2 | 174.3 | 0 | 111.4 | D294 S299 | D294-K297 PolarHBondContact O-N 2.75Å; K297-S299 PolarHBondContact O-N 3.13Å; K297-S299 VanDerWaalsContact O-N 3.14Å | ||
| 298 | I | 55.2 | Low | 66.6 | Low | 121 Ų | 121 | 74.4 Ų | 74.4 | 62% | 0.621 | 39% | 0.388 | S | S | * | . | trans | -83.8 | 83.1 | 173.2 | -52.3 | 172.8 | 0 | 0 | 0 | 107.7 | ||||
| 299 | S | 62.4 | Low | 68.6 | Low | 21 Ų | 21 | 67.9 Ų | 67.9 | 15% | 0.147 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 134.2 | 161.2 | 50.3 | 0 | 0 | 0 | 0 | 107.8 | K297 D315 | K297-S299 PolarHBondContact O-N 3.13Å; K297-S299 VanDerWaalsContact O-N 3.14Å; S299-D315 PolarHBondContact OG-OD2 3.3Å |
| 300 | R | 83.2 | Confident | 70.9 | Confident | 82 Ų | 82 | 67.9 Ų | 67.9 | 31% | 0.309 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -86.2 | 135.8 | 169.7 | -67.8 | -160.8 | 153.8 | 106.7 | 0.2 | 109.8 | N282 N284 P316 | N282-R300 WeakPolarHBondContact OD1-CD 3.06Å; N284-R300 PolarHBondContact OD1-NE 3.27Å; N284-R300 PolarHBondContact OD1-NH2 2.98Å; R300-P316 WeakPolarHBondContact O-CD 3.28Å; R300-P316 WeakPolarHBondContact O-CG 3.34Å |
| 301 | L | 91 | Very high | 73.5 | Confident | 4 Ų | 4 | 59.8 Ų | 59.8 | 2% | 0.021 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 159.6 | -172.8 | -53 | 176.6 | 0 | 0 | 0 | 111.3 | N282 V283 H285 L313 D315 I330 | N282-L301 PolarHBondContact N-O 3.18Å; V283-L301 HydrophobicContact CB-CB 4.05Å; V283-L301 WeakPolarHBondContact CB-O 3.18Å; V283-L301 PolarHBondContact N-O 3.39Å; V283-L301 PolarHBondContact O-N 3.5Å; H285-L301 HydrophobicContact CB-CD1 4.25Å; L301-L313 HydrophobicContact CB-CD1 3.82Å; L301-L313 HydrophobicContact CB-CG 4.44Å; L301-L313 HydrophobicContact CD1-CD1 4.18Å; L301-L313 HydrophobicContact CD1-CD2 3.9Å; L301-L313 HydrophobicContact CD1-CG 4.13Å; L301-D315 HydrophobicContact CD2-CB 3.88Å; L301-I330 HydrophobicContact CD1-CD1 3.54Å; L301-I330 HydrophobicContact CD2-CD1 3.44Å; L301-I330 VanDerWaalsContact CD2-CD1 3.44Å; L301-I330 HydrophobicContact CG-CD1 4.07Å |
| 302 | L | 93.3 | Very high | 75.8 | Confident | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 129 | 174.6 | 168.9 | 59.6 | 0 | 0 | 0 | 108.5 | I234 F242 L279 I280 L304 V314 | I234-L302 HydrophobicContact CD1-CD1 3.37Å; I234-L302 HydrophobicContact CD1-CD2 4.35Å; I234-L302 HydrophobicContact CD1-CG 4.41Å; F242-L302 HydrophobicContact CD1-CD2 4.07Å; F242-L302 HydrophobicContact CD2-CD2 3.81Å; F242-L302 HydrophobicContact CE1-CD2 3.89Å; F242-L302 HydrophobicContact CE2-CD2 3.63Å; F242-L302 HydrophobicContact CG-CD2 4.03Å; F242-L302 HydrophobicContact CZ-CD2 3.67Å; L279-L302 HydrophobicContact CB-CD1 4.03Å; L279-L302 HydrophobicContact CD1-CD1 4.49Å; I280-L302 WeakPolarHBondContact O-CD1 3.49Å; L302-L304 HydrophobicContact CD2-CD1 4.1Å; L302-L304 HydrophobicContact CG-CD1 3.9Å; L302-L304 HydrophobicContact CG-CG 4.4Å; L302-V314 HydrophobicContact CB-CB 4.44Å; L302-V314 PolarHBondContact N-O 3.48Å; L302-V314 PolarHBondContact O-N 2.96Å |
| 303 | C | 95.4 | Very high | 78.2 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 139.9 | 170.5 | -177.6 | 0 | 0 | 0 | 0 | 110.3 | L279 I280 V283 R312 L313 L344 L357 | L279-C303 CarbonylContact C-O 3.57Å; L279-C303 VanDerWaalsContact CA-O 3.25Å; L279-C303 WeakPolarHBondContact CA-O 3.34Å; I280-C303 HydrophobicContact CD1-CB 4.35Å; I280-C303 HydrophobicContact CG1-CB 3.84Å; I280-C303 PolarHBondContact N-O 3.32Å; I280-C303 PolarHBondContact O-N 2.91Å; V283-C303 HydrophobicContact CG2-CB 4.31Å; C303-R312 CarbonylContact C-O 3.6Å; C303-R312 VanDerWaalsContact CA-O 3.31Å; C303-R312 WeakPolarHBondContact CA-O 3.42Å; C303-R312 PolarHBondContact SG-O 3.17Å; C303-L313 HydrophobicContact CB-CD1 4.14Å; C303-L344 HydrophobicContact CB-CD2 4.42Å; C303-L344 WeakPolarHBondContact O-CD2 3.47Å; C303-L357 HydrophobicContact CB-CD1 4.13Å; C303-L357 HydrophobicContact CB-CD2 3.62Å; C303-L357 HydrophobicContact CB-CG 4.49Å |
| 304 | L | 95.4 | Very high | 80.2 | Confident | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 147.8 | 173 | -55.6 | 99.4 | 0 | 0 | 0 | 110.5 | F242 T277 W278 L279 L302 M311 R312 V314 | F242-L304 HydrophobicContact CB-CD2 4.04Å; F242-L304 HydrophobicContact CD1-CD1 4.35Å; F242-L304 HydrophobicContact CD1-CD2 3.77Å; F242-L304 HydrophobicContact CG-CD2 4.24Å; T277-L304 HydrophobicContact CG2-CB 4.43Å; T277-L304 HydrophobicContact CG2-CD2 4.15Å; W278-L304 CarbonylContact O-C 3.56Å; W278-L304 WeakPolarHBondContact O-CA 3.07Å; L279-L304 HydrophobicContact CB-CD2 4.31Å; L279-L304 HydrophobicContact CB-CG 4.2Å; L302-L304 HydrophobicContact CD2-CD1 4.1Å; L302-L304 HydrophobicContact CG-CD1 3.9Å; L302-L304 HydrophobicContact CG-CG 4.4Å; L304-M311 CarbonylContact O-C 3.57Å; L304-M311 VanDerWaalsContact O-CA 3.31Å; L304-M311 WeakPolarHBondContact O-CA 3.34Å; L304-R312 PolarHBondContact N-O 2.87Å; L304-R312 PolarHBondContact O-N 3.05Å; L304-V314 HydrophobicContact CD1-CB 4.49Å; L304-V314 HydrophobicContact CD1-CG2 3.73Å |
| 305 | C | 95.3 | Very high | 82.4 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 131.8 | 175.5 | -177.8 | 0 | 0 | 0 | 0 | 109.6 | T277 W278 H310 M311 L341 L344 V359 | T277-C305 CarbonylContact C-O 3.32Å; T277-C305 WeakPolarHBondContact CA-O 3.22Å; W278-C305 PolarHBondContact N-O 3.38Å; W278-C305 PolarHBondContact O-N 3.34Å; C305-H310 CarbonylContact C-O 3.55Å; C305-H310 WeakPolarHBondContact CA-O 3.4Å; C305-M311 HydrophobicContact CB-CG 4.04Å; C305-L341 WeakPolarHBondContact SG-CD1 3.49Å; C305-L344 HydrophobicContact CB-CB 4.14Å; C305-L344 HydrophobicContact CB-CD1 4.31Å; C305-L344 HydrophobicContact CB-CD2 3.88Å; C305-L344 HydrophobicContact CB-CG 4.33Å; C305-V359 HydrophobicContact CB-CG1 4.17Å |
| 306 | T | 94.9 | Very high | 84.1 | Confident | 5 Ų | 5 | 34.2 Ų | 34.2 | 3% | 0.031 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 157.3 | 173.9 | 56.4 | 0 | 0 | 0 | 0 | 111.2 | R276 D308 G309 H310 | R276-T306 CarbonylContact O-C 3.56Å; R276-T306 VanDerWaalsContact O-CA 3.31Å; R276-T306 WeakPolarHBondContact O-CA 3.48Å; T306-D308 WeakPolarHBondContact CB-OD1 3.32Å; T306-D308 PolarHBondContact O-N 2.83Å; T306-D308 PolarHBondContact OG1-OD1 3.13Å; T306-G309 PolarHBondContact O-N 3.07Å; T306-G309 VanDerWaalsContact O-N 3.09Å; T306-H310 PolarHBondContact N-O 2.83Å; T306-H310 WeakPolarHBondContact OG1-CA 3.49Å; T306-H310 VanDerWaalsContact OG1-CB 3.26Å; T306-H310 WeakPolarHBondContact OG1-CB 3.33Å; T306-H310 PolarHBondContact OG1-N 2.9Å; T306-H310 PolarHBondContact OG1-O 2.64Å; T306-H310 VanDerWaalsContact OG1-O 3.13Å |
| 307 | A | 94.6 | Very high | 85.5 | Confident | 4 Ų | 4 | 26.5 Ų | 26.5 | 3% | 0.033 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -28.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | T275 R276 W278 G309 E340 L341 | T275-A307 HydrophobicContact CG2-CB 3.93Å; R276-A307 HydrophobicContact CB-CB 4.4Å; R276-A307 PolarHBondContact O-N 3.06Å; W278-A307 HydrophobicContact CH2-CB 4.04Å; W278-A307 HydrophobicContact CZ3-CB 3.77Å; A307-G309 VanDerWaalsContact C-N 3.28Å; A307-G309 PolarHBondContact O-N 3.22Å; A307-E340 HydrophobicContact CB-CB 4.42Å; A307-E340 WeakPolarHBondContact O-CA 3.38Å; A307-E340 WeakPolarHBondContact O-CB 3.48Å; A307-L341 WeakPolarHBondContact CA-O 3.31Å; A307-L341 PolarHBondContact O-N 2.83Å |
| 308 | D | 92 | Very high | 86.2 | Confident | 54 Ų | 54 | 23.9 Ų | 23.9 | 29% | 0.289 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | 2.2 | 177.5 | 61.8 | 1.9 | 0 | 0 | 0 | 114 | T275 T306 H310 Q334 | T275-D308 HydrophobicContact CG2-CB 4.23Å; T306-D308 WeakPolarHBondContact CB-OD1 3.32Å; T306-D308 PolarHBondContact O-N 2.83Å; T306-D308 PolarHBondContact OG1-OD1 3.13Å; D308-H310 IonicContact OD1-CD2 3.09Å; D308-H310 PolarHBondContact OD1-CD2 2.89Å; D308-H310 IonicContact OD2-CD2 3.18Å; D308-Q334 PolarHBondContact O-NE2 3.46Å |
| 309 | G | 92.8 | Very high | 86.4 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.11 | C | C | . | . | S | Bend | trans | 103.5 | -1.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | T306 A307 M311 V335 | T306-G309 PolarHBondContact O-N 3.07Å; T306-G309 VanDerWaalsContact O-N 3.09Å; A307-G309 VanDerWaalsContact C-N 3.28Å; A307-G309 PolarHBondContact O-N 3.22Å; G309-M311 PolarHBondContact O-N 3.12Å; G309-V335 WeakPolarHBondContact O-CB 3.41Å; G309-V335 PolarHBondContact O-N 2.82Å |
| 310 | H | 91.9 | Very high | 85.8 | Confident | 43 Ų | 43 | 26 Ų | 26 | 20% | 0.199 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 121.7 | 175.1 | -65.7 | -78.9 | 0 | 0 | 0 | 111 | N271 C305 T306 D308 Q334 | N271-H310 PolarHBondContact ND2-NE2 2.86Å; N271-H310 VanDerWaalsContact ND2-NE2 3.16Å; C305-H310 CarbonylContact C-O 3.55Å; C305-H310 WeakPolarHBondContact CA-O 3.4Å; T306-H310 PolarHBondContact N-O 2.83Å; T306-H310 WeakPolarHBondContact OG1-CA 3.49Å; T306-H310 VanDerWaalsContact OG1-CB 3.26Å; T306-H310 WeakPolarHBondContact OG1-CB 3.33Å; T306-H310 PolarHBondContact OG1-N 2.9Å; T306-H310 PolarHBondContact OG1-O 2.64Å; T306-H310 VanDerWaalsContact OG1-O 3.13Å; D308-H310 IonicContact OD1-CD2 3.09Å; D308-H310 PolarHBondContact OD1-CD2 2.89Å; D308-H310 IonicContact OD2-CD2 3.18Å; H310-Q334 PolarHBondContact CD2-OE1 2.83Å; H310-Q334 PolarHBondContact CE1-OE1 3.03Å; H310-Q334 PolarHBondContact ND1-OE1 2.82Å; H310-Q334 PolarHBondContact NE2-OE1 3.07Å |
| 311 | M | 93 | Very high | 84 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 146.7 | 171.5 | -71.2 | -174.8 | 71.2 | 0 | 0 | 111.5 | L304 C305 G309 W331 S332 I333 V335 L344 L357 V359 F369 | L304-M311 CarbonylContact O-C 3.57Å; L304-M311 VanDerWaalsContact O-CA 3.31Å; L304-M311 WeakPolarHBondContact O-CA 3.34Å; C305-M311 HydrophobicContact CB-CG 4.04Å; G309-M311 PolarHBondContact O-N 3.12Å; M311-W331 HydrophobicContact CB-CZ3 4.09Å; M311-W331 HydrophobicContact CE-CH2 4.45Å; M311-S332 VanDerWaalsContact O-CA 3.26Å; M311-S332 WeakPolarHBondContact O-CA 3.36Å; M311-S332 PolarHBondContact O-OG 3.4Å; M311-S332 VanDerWaalsContact O-OG 3.05Å; M311-I333 HydrophobicContact CB-CG2 3.92Å; M311-I333 PolarHBondContact N-O 3.43Å; M311-I333 PolarHBondContact O-N 3.14Å; M311-V335 HydrophobicContact CG-CG2 3.92Å; M311-V335 HydrophobicContact SD-CG2 3.62Å; M311-L344 HydrophobicContact CE-CD1 4.05Å; M311-L357 HydrophobicContact CE-CB 4.43Å; M311-V359 HydrophobicContact CE-CG1 3.46Å; M311-V359 VanDerWaalsContact CE-CG1 3.46Å; M311-V359 HydrophobicContact CE-CG2 4.39Å; M311-V359 HydrophobicContact CG-CG1 4.43Å; M311-V359 HydrophobicContact SD-CB 4.19Å; M311-V359 HydrophobicContact SD-CG1 3.53Å; M311-V359 VanDerWaalsContact SD-CG1 3.53Å; M311-V359 HydrophobicContact SD-CG2 3.59Å; M311-V359 VanDerWaalsContact SD-CG2 3.59Å; M311-F369 HydrophobicContact CE-CD2 4.01Å; M311-F369 HydrophobicContact CE-CE2 4.28Å; M311-F369 HydrophobicContact SD-CD2 3.91Å; M311-F369 HydrophobicContact SD-CE2 3.56Å; M311-F369 VanDerWaalsContact SD-CE2 3.56Å; M311-F369 HydrophobicContact SD-CZ 4.26Å |
| 312 | R | 91.6 | Very high | 81.8 | Confident | 25 Ų | 25 | 32.9 Ų | 32.9 | 9% | 0.094 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 136.1 | 179 | -68 | 176.9 | -178.4 | 151.6 | 6 | 110.8 | R266 C303 L304 V314 W331 S332 | R266-R312 PolarHBondContact O-NH2 2.97Å; C303-R312 CarbonylContact C-O 3.6Å; C303-R312 VanDerWaalsContact CA-O 3.31Å; C303-R312 WeakPolarHBondContact CA-O 3.42Å; C303-R312 PolarHBondContact SG-O 3.17Å; L304-R312 PolarHBondContact N-O 2.87Å; L304-R312 PolarHBondContact O-N 3.05Å; R312-V314 HydrophobicContact CB-CG2 4.32Å; R312-W331 WeakPolarHBondContact CA-O 3.38Å; R312-S332 WeakPolarHBondContact CG-OG 3.33Å |
| 313 | L | 92.6 | Very high | 79.7 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 128.7 | 166.8 | -173 | 63.9 | 0 | 0 | 0 | 108.8 | V283 L301 C303 I330 W331 L357 | V283-L313 HydrophobicContact CG1-CD1 4.38Å; L301-L313 HydrophobicContact CB-CD1 3.82Å; L301-L313 HydrophobicContact CB-CG 4.44Å; L301-L313 HydrophobicContact CD1-CD1 4.18Å; L301-L313 HydrophobicContact CD1-CD2 3.9Å; L301-L313 HydrophobicContact CD1-CG 4.13Å; C303-L313 HydrophobicContact CB-CD1 4.14Å; L313-I330 HydrophobicContact CB-CB 4.41Å; L313-I330 HydrophobicContact CD2-CB 4.39Å; L313-I330 HydrophobicContact CD2-CD1 4.31Å; L313-I330 HydrophobicContact CD2-CG2 4.29Å; L313-I330 HydrophobicContact CG-CB 4.34Å; L313-I330 HydrophobicContact CG-CD1 4.22Å; L313-I330 PolarHBondContact O-N 2.93Å; L313-W331 HydrophobicContact CB-CD2 3.89Å; L313-W331 HydrophobicContact CB-CE3 4.45Å; L313-W331 HydrophobicContact CB-CG 4.27Å; L313-W331 HydrophobicContact CB-CH2 4.4Å; L313-W331 HydrophobicContact CB-CZ2 3.86Å; L313-W331 HydrophobicContact CD2-CZ2 4.19Å; L313-W331 VanDerWaalsContact CD2-NE1 3.29Å; L313-W331 PolarHBondContact N-O 2.88Å; L313-L357 HydrophobicContact CD1-CD1 4.19Å |
| 314 | V | 89.7 | Confident | 77.6 | Confident | 6 Ų | 6 | 46.1 Ų | 46.1 | 4% | 0.036 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 137.2 | -169.3 | -175.4 | 0 | 0 | 0 | 0 | 109.5 | L302 L304 R312 S328 I329 | L302-V314 HydrophobicContact CB-CB 4.44Å; L302-V314 PolarHBondContact N-O 3.48Å; L302-V314 PolarHBondContact O-N 2.96Å; L304-V314 HydrophobicContact CD1-CB 4.49Å; L304-V314 HydrophobicContact CD1-CG2 3.73Å; R312-V314 HydrophobicContact CB-CG2 4.32Å; V314-S328 CarbonylContact C-O 3.55Å; V314-S328 VanDerWaalsContact CA-O 3.28Å; V314-S328 WeakPolarHBondContact CA-O 3.12Å; V314-S328 WeakPolarHBondContact CG1-O 3.49Å; V314-I329 HydrophobicContact CG2-CG1 4.35Å |
| 315 | D | 86.2 | Confident | 75.5 | Confident | 16 Ų | 16 | 52.3 Ų | 52.3 | 9% | 0.086 | 28% | 0.28 | C | S | . | . | trans | -90.4 | 113.7 | 164 | -170.7 | -29.3 | 0 | 0 | 0 | 109.3 | S299 L301 T317 I318 S328 I330 | S299-D315 PolarHBondContact OG-OD2 3.3Å; L301-D315 HydrophobicContact CD2-CB 3.88Å; D315-T317 PolarHBondContact O-N 2.86Å; D315-T317 WeakPolarHBondContact OD1-CB 3.26Å; D315-T317 PolarHBondContact OD1-N 3.46Å; D315-T317 PolarHBondContact OD1-OG1 3Å; D315-T317 PolarHBondContact OD2-OG1 2.75Å; D315-I318 HydrophobicContact CB-CD1 3.83Å; D315-I318 HydrophobicContact CB-CG1 3.99Å; D315-S328 PolarHBondContact N-O 3.38Å; D315-S328 WeakPolarHBondContact O-CB 3.31Å; D315-I330 HydrophobicContact CB-CD1 4.39Å | ||
| 316 | P | 79.5 | Confident | 73.7 | Confident | 15 Ų | 15 | 56.1 Ų | 56.1 | 10% | 0.097 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -11.4 | -179 | 31 | -36.3 | 0 | 0 | 0 | 114 | T226 R300 | T226-P316 HydrophobicContact CG2-CB 4.25Å; T226-P316 HydrophobicContact CG2-CG 4.02Å; R300-P316 WeakPolarHBondContact O-CD 3.28Å; R300-P316 WeakPolarHBondContact O-CG 3.34Å |
| 317 | T | 72.5 | Confident | 71.9 | Confident | 33 Ų | 33 | 60.8 Ų | 60.8 | 20% | 0.202 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -15.9 | -176.8 | 67.1 | 0 | 0 | 0 | 0 | 113.8 | Q227 D315 H319 | Q227-T317 HydrophobicContact CB-CG2 4.4Å; D315-T317 PolarHBondContact O-N 2.86Å; D315-T317 WeakPolarHBondContact OD1-CB 3.26Å; D315-T317 PolarHBondContact OD1-N 3.46Å; D315-T317 PolarHBondContact OD1-OG1 3Å; D315-T317 PolarHBondContact OD2-OG1 2.75Å; T317-H319 PolarHBondContact O-N 2.87Å |
| 318 | I | 68.2 | Low | 71.1 | Confident | 67 Ų | 67 | 61.9 Ų | 61.9 | 34% | 0.344 | 33% | 0.329 | S | S | . | . | trans | -81 | 90.9 | 179.5 | -56.5 | 176.3 | 0 | 0 | 0 | 108.7 | D315 E327 | D315-I318 HydrophobicContact CB-CD1 3.83Å; D315-I318 HydrophobicContact CB-CG1 3.99Å; I318-E327 HydrophobicContact CG2-CB 4.15Å; I318-E327 WeakPolarHBondContact CG2-O 3.4Å | ||
| 319 | H | 59.2 | Low | 70.7 | Confident | 85 Ų | 85 | 61 Ų | 61 | 39% | 0.394 | 32% | 0.324 | S | S | . | . | trans | -102.4 | 80.7 | 167.1 | -79.9 | -69.8 | 0 | 0 | 0 | 109.2 | E228 Y263 T317 | E228-H319 IonicContact OE2-CD2 2.97Å; Y263-H319 AromaticContact CE1-CE1 3.77Å; Y263-H319 AromaticContact CZ-CE1 3.81Å; Y263-H319 PolarHBondContact OH-CE1 2.81Å; Y263-H319 PolarHBondContact OH-NE2 2.91Å; T317-H319 PolarHBondContact O-N 2.87Å | ||
| 320 | N | 50 | Low | 70.4 | Confident | 103 Ų | 103 | 64.9 Ų | 64.9 | 55% | 0.551 | 34% | 0.344 | S | S | * | . | trans | -84.5 | 131.3 | 169.9 | -87.5 | -10 | 0 | 0 | 0 | 110.4 | S322 E327 | N320-S322 PolarHBondContact O-N 2.92Å; N320-E327 WeakPolarHBondContact CB-OE2 3.3Å; N320-E327 VanDerWaalsContact CG-OE2 3.29Å; N320-E327 PolarHBondContact ND2-OE2 2.86Å | ||
| 321 | N | 44.7 | Very low | 70.3 | Confident | 175 Ų | 175 | 64.1 Ų | 64.1 | 94% | 0.936 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -66.4 | 5.8 | -177.3 | -125.5 | -1.8 | 0 | 0 | 0 | 113.4 | ||
| 322 | S | 46 | Very low | 70.2 | Confident | 54 Ų | 54 | 66.9 Ų | 66.9 | 38% | 0.378 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -76.9 | 128.1 | 173.1 | 41.8 | 0 | 0 | 0 | 0 | 108.9 | N320 D324 | N320-S322 PolarHBondContact O-N 2.92Å; S322-D324 CarbonylContact O-C 3.51Å; S322-D324 PolarHBondContact O-N 3.02Å |
| 323 | N | 48.7 | Very low | 70.3 | Confident | 167 Ų | 167 | 67.8 Ų | 67.8 | 89% | 0.893 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -55.4 | -4.1 | 178.6 | -73.7 | -33.6 | 0 | 0 | 0 | 115.4 | ||
| 324 | D | 50.3 | Low | 70.3 | Confident | 112 Ų | 112 | 70.8 Ų | 70.8 | 60% | 0.599 | 38% | 0.379 | S | S | * | . | trans | -84.3 | 113.1 | 168 | -77.6 | -31.8 | 0 | 0 | 0 | 109 | S322 D326 | S322-D324 CarbonylContact O-C 3.51Å; S322-D324 PolarHBondContact O-N 3.02Å; D324-D326 HydrophobicContact CB-CB 4.12Å; D324-D326 PolarHBondContact O-N 2.91Å | ||
| 325 | N | 52 | Low | 70.4 | Confident | 134 Ų | 134 | 70.8 Ų | 70.8 | 72% | 0.717 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | 26.4 | 170.8 | -70.8 | -44.5 | 0 | 0 | 0 | 113.1 | ||
| 326 | D | 56.5 | Low | 70.5 | Confident | 80 Ų | 80 | 77.6 Ų | 77.6 | 43% | 0.428 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104 | -14.7 | -158.9 | -82.8 | -19 | 0 | 0 | 0 | 116.1 | R266 D324 | R266-D326 IonicContact CZ-OD1 3.86Å; R266-D326 IonicContact NE-OD1 2.75Å; R266-D326 PolarHBondContact NE-OD1 3.17Å; R266-D326 VanDerWaalsContact NE-OD1 3.09Å; R266-D326 PolarHBondContact NH2-O 3.25Å; R266-D326 IonicContact NH2-OD1 2.75Å; R266-D326 PolarHBondContact NH2-OD1 3.16Å; D324-D326 HydrophobicContact CB-CB 4.12Å; D324-D326 PolarHBondContact O-N 2.91Å |
| 327 | E | 58.3 | Low | 70.9 | Confident | 103 Ų | 103 | 78.5 Ų | 78.5 | 48% | 0.481 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -4.3 | -166.6 | -64.9 | -171.3 | 161.6 | 0 | 0 | 115.5 | I318 N320 | I318-E327 HydrophobicContact CG2-CB 4.15Å; I318-E327 WeakPolarHBondContact CG2-O 3.4Å; N320-E327 WeakPolarHBondContact CB-OE2 3.3Å; N320-E327 VanDerWaalsContact CG-OE2 3.29Å; N320-E327 PolarHBondContact ND2-OE2 2.86Å |
| 328 | S | 77.1 | Confident | 71.5 | Confident | 27 Ų | 27 | 89 Ų | 89 | 19% | 0.189 | 45% | 0.451 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -14.2 | 176.6 | 61.4 | 0 | 0 | 0 | 0 | 114.1 | V314 D315 | V314-S328 CarbonylContact C-O 3.55Å; V314-S328 VanDerWaalsContact CA-O 3.28Å; V314-S328 WeakPolarHBondContact CA-O 3.12Å; V314-S328 WeakPolarHBondContact CG1-O 3.49Å; D315-S328 PolarHBondContact N-O 3.38Å; D315-S328 WeakPolarHBondContact O-CB 3.31Å |
| 329 | I | 84.3 | Confident | 72.6 | Confident | 37 Ų | 37 | 87.3 Ų | 87.3 | 19% | 0.19 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 116.9 | -173.9 | -53.5 | -166.4 | 0 | 0 | 0 | 110.4 | R266 V314 W331 | R266-I329 VanDerWaalsContact CZ-CD1 3.5Å; V314-I329 HydrophobicContact CG2-CG1 4.35Å; I329-W331 WeakPolarHBondContact CG2-O 3.02Å |
| 330 | I | 86 | Confident | 74.2 | Confident | 81 Ų | 81 | 88 Ų | 88 | 42% | 0.415 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | -48.3 | 177.3 | -62.4 | 173.1 | 0 | 0 | 0 | 110.1 | L301 L313 D315 | L301-I330 HydrophobicContact CD1-CD1 3.54Å; L301-I330 HydrophobicContact CD2-CD1 3.44Å; L301-I330 VanDerWaalsContact CD2-CD1 3.44Å; L301-I330 HydrophobicContact CG-CD1 4.07Å; L313-I330 HydrophobicContact CB-CB 4.41Å; L313-I330 HydrophobicContact CD2-CB 4.39Å; L313-I330 HydrophobicContact CD2-CD1 4.31Å; L313-I330 HydrophobicContact CD2-CG2 4.29Å; L313-I330 HydrophobicContact CG-CB 4.34Å; L313-I330 HydrophobicContact CG-CD1 4.22Å; L313-I330 PolarHBondContact O-N 2.93Å; D315-I330 HydrophobicContact CB-CD1 4.39Å |
| 331 | W | 90.5 | Very high | 76.4 | Confident | 27 Ų | 27 | 83 Ų | 83 | 10% | 0.102 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 161.5 | 170.7 | 55.3 | -105.9 | 0 | 0 | 0 | 112.1 | M311 R312 L313 I329 I333 L357 I371 N373 | M311-W331 HydrophobicContact CB-CZ3 4.09Å; M311-W331 HydrophobicContact CE-CH2 4.45Å; R312-W331 WeakPolarHBondContact CA-O 3.38Å; L313-W331 HydrophobicContact CB-CD2 3.89Å; L313-W331 HydrophobicContact CB-CE3 4.45Å; L313-W331 HydrophobicContact CB-CG 4.27Å; L313-W331 HydrophobicContact CB-CH2 4.4Å; L313-W331 HydrophobicContact CB-CZ2 3.86Å; L313-W331 HydrophobicContact CD2-CZ2 4.19Å; L313-W331 VanDerWaalsContact CD2-NE1 3.29Å; L313-W331 PolarHBondContact N-O 2.88Å; I329-W331 WeakPolarHBondContact CG2-O 3.02Å; W331-I333 HydrophobicContact CE3-CG2 4.15Å; W331-I333 HydrophobicContact CZ3-CG2 3.71Å; W331-L357 HydrophobicContact CH2-CD1 3.86Å; W331-L357 HydrophobicContact CZ2-CD1 3.6Å; W331-I371 PolarHBondContact NE1-O 3.22Å; W331-N373 HydrophobicContact CD2-CB 4.2Å; W331-N373 HydrophobicContact CG-CB 4.2Å |
| 332 | S | 90.9 | Very high | 78.8 | Confident | 57 Ų | 57 | 75.1 Ų | 75.1 | 40% | 0.399 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 141.4 | 171.3 | -170.4 | 0 | 0 | 0 | 0 | 110.4 | M311 R312 | M311-S332 VanDerWaalsContact O-CA 3.26Å; M311-S332 WeakPolarHBondContact O-CA 3.36Å; M311-S332 PolarHBondContact O-OG 3.4Å; M311-S332 VanDerWaalsContact O-OG 3.05Å; R312-S332 WeakPolarHBondContact CG-OG 3.33Å |
| 333 | I | 92.2 | Very high | 81.2 | Confident | 45 Ų | 45 | 72.6 Ų | 72.6 | 23% | 0.231 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 148.7 | 179.8 | -169.6 | 165.3 | 0 | 0 | 0 | 110.8 | M311 W331 V335 F369 N373 | M311-I333 HydrophobicContact CB-CG2 3.92Å; M311-I333 PolarHBondContact N-O 3.43Å; M311-I333 PolarHBondContact O-N 3.14Å; W331-I333 HydrophobicContact CE3-CG2 4.15Å; W331-I333 HydrophobicContact CZ3-CG2 3.71Å; I333-V335 HydrophobicContact CG2-CG2 4.41Å; I333-F369 HydrophobicContact CD1-CE1 4.13Å; I333-F369 HydrophobicContact CG2-CE1 4.31Å; I333-N373 WeakPolarHBondContact CD1-OD1 3.31Å |
| 334 | Q | 93 | Very high | 83.6 | Confident | 62 Ų | 62 | 65.3 Ų | 65.3 | 29% | 0.29 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 111.5 | 166.6 | -178.1 | 61.5 | 23 | 0 | 0 | 109.5 | D308 H310 H336 | D308-Q334 PolarHBondContact O-NE2 3.46Å; H310-Q334 PolarHBondContact CD2-OE1 2.83Å; H310-Q334 PolarHBondContact CE1-OE1 3.03Å; H310-Q334 PolarHBondContact ND1-OE1 2.82Å; H310-Q334 PolarHBondContact NE2-OE1 3.07Å; Q334-H336 PolarHBondContact O-CE1 2.86Å; Q334-H336 PolarHBondContact O-N 2.95Å; Q334-H336 PolarHBondContact O-ND1 2.85Å |
| 335 | V | 92.6 | Very high | 85.8 | Confident | 6 Ų | 6 | 60.8 Ų | 60.8 | 4% | 0.036 | 30% | 0.3 | C | S | . | . | trans | -77.9 | 114.6 | 172.5 | -175 | 0 | 0 | 0 | 0 | 108.5 | G309 M311 I333 T337 L341 Y367 F369 | G309-V335 WeakPolarHBondContact O-CB 3.41Å; G309-V335 PolarHBondContact O-N 2.82Å; M311-V335 HydrophobicContact CG-CG2 3.92Å; M311-V335 HydrophobicContact SD-CG2 3.62Å; I333-V335 HydrophobicContact CG2-CG2 4.41Å; V335-T337 PolarHBondContact O-N 3.04Å; V335-L341 HydrophobicContact CB-CD1 4.17Å; V335-L341 HydrophobicContact CG1-CD1 4.48Å; V335-L341 HydrophobicContact CG2-CD1 4.43Å; V335-Y367 HydrophobicContact CG1-CD1 4.11Å; V335-Y367 HydrophobicContact CG1-CD2 3.6Å; V335-Y367 HydrophobicContact CG1-CE1 4.16Å; V335-Y367 HydrophobicContact CG1-CE2 3.66Å; V335-Y367 HydrophobicContact CG1-CG 3.84Å; V335-F369 HydrophobicContact CG2-CE2 4.06Å; V335-F369 HydrophobicContact CG2-CZ 3.7Å | ||
| 336 | H | 88.9 | Confident | 87.9 | Confident | 159 Ų | 159 | 57.5 Ų | 57.5 | 74% | 0.736 | 28% | 0.279 | S | S | * | . | trans | -85.1 | 97.1 | -179.7 | -64.4 | 80.9 | 0 | 0 | 0 | 109.5 | Q334 Y367 | Q334-H336 PolarHBondContact O-CE1 2.86Å; Q334-H336 PolarHBondContact O-N 2.95Å; Q334-H336 PolarHBondContact O-ND1 2.85Å; H336-Y367 PolarHBondContact O-OH 3.03Å | ||
| 337 | T | 87.1 | Confident | 89.6 | Confident | 34 Ų | 34 | 54 Ų | 54 | 21% | 0.209 | 26% | 0.26 | C | S | . | . | trans | -116.1 | 150.9 | 175.9 | 167.1 | 0 | 0 | 0 | 0 | 110.1 | V335 S339 L341 S361 | V335-T337 PolarHBondContact O-N 3.04Å; T337-S339 VanDerWaalsContact C-N 3.27Å; T337-S339 WeakPolarHBondContact CB-O 3.48Å; T337-S339 WeakPolarHBondContact CG2-O 3.07Å; T337-S339 PolarHBondContact OG1-N 3.26Å; T337-S339 VanDerWaalsContact OG1-N 3.15Å; T337-S339 PolarHBondContact OG1-O 2.65Å; T337-L341 HydrophobicContact CG2-CD2 3.84Å; T337-L341 HydrophobicContact CG2-CG 4.1Å; T337-S361 WeakPolarHBondContact OG1-CB 3.21Å | ||
| 338 | R | 85.2 | Confident | 91.2 | Very high | 255 Ų | 255 | 52 Ų | 52 | 96% | 0.962 | 25% | 0.25 | S | S | * | . | S | Bend | trans | -78.5 | -16.2 | 175 | -68.5 | -176.5 | 177.6 | -177.6 | -0.3 | 112.4 | ||
| 339 | S | 90.7 | Very high | 91.8 | Very high | 31 Ų | 31 | 51.3 Ų | 51.3 | 22% | 0.217 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -127.9 | 168.5 | -179.9 | 63.2 | 0 | 0 | 0 | 0 | 110.8 | T337 S361 W362 D363 | T337-S339 VanDerWaalsContact C-N 3.27Å; T337-S339 WeakPolarHBondContact CB-O 3.48Å; T337-S339 WeakPolarHBondContact CG2-O 3.07Å; T337-S339 PolarHBondContact OG1-N 3.26Å; T337-S339 VanDerWaalsContact OG1-N 3.15Å; T337-S339 PolarHBondContact OG1-O 2.65Å; S339-S361 WeakPolarHBondContact OG-CB 3.34Å; S339-W362 PolarHBondContact OG-N 3.04Å; S339-D363 PolarHBondContact OG-N 3.44Å; S339-D363 VanDerWaalsContact OG-N 3.16Å; S339-D363 PolarHBondContact OG-OD2 2.86Å |
| 340 | E | 93.1 | Very high | 91.9 | Very high | 98 Ų | 98 | 49.9 Ų | 49.9 | 46% | 0.458 | 24% | 0.237 | S | C | . | . | trans | -68.7 | 149.2 | 178.8 | -59.2 | -175.6 | 162.2 | 0 | 0 | 112.3 | R276 A307 S361 W362 | R276-E340 IonicContact NH2-OE2 2.65Å; R276-E340 PolarHBondContact NH2-OE2 2.96Å; R276-E340 VanDerWaalsContact NH2-OE2 3.07Å; A307-E340 HydrophobicContact CB-CB 4.42Å; A307-E340 WeakPolarHBondContact O-CA 3.38Å; A307-E340 WeakPolarHBondContact O-CB 3.48Å; E340-S361 VanDerWaalsContact O-CA 3.24Å; E340-S361 WeakPolarHBondContact O-CA 3.47Å; E340-W362 VanDerWaalsContact O-CD1 3.26Å; E340-W362 PolarHBondContact O-N 2.91Å | ||
| 341 | L | 95.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 143 | 163.7 | -59.4 | -174.6 | 0 | 0 | 0 | 109.8 | W278 C305 A307 V335 T337 V359 C360 | W278-L341 VanDerWaalsContact CH2-O 3.25Å; W278-L341 WeakPolarHBondContact CH2-O 3.35Å; W278-L341 VanDerWaalsContact CZ3-O 3.29Å; W278-L341 WeakPolarHBondContact CZ3-O 3.36Å; C305-L341 WeakPolarHBondContact SG-CD1 3.49Å; A307-L341 WeakPolarHBondContact CA-O 3.31Å; A307-L341 PolarHBondContact O-N 2.83Å; V335-L341 HydrophobicContact CB-CD1 4.17Å; V335-L341 HydrophobicContact CG1-CD1 4.48Å; V335-L341 HydrophobicContact CG2-CD1 4.43Å; T337-L341 HydrophobicContact CG2-CD2 3.84Å; T337-L341 HydrophobicContact CG2-CG 4.1Å; L341-V359 HydrophobicContact CD1-CB 4.38Å; L341-V359 HydrophobicContact CD1-CG2 4.27Å; L341-V359 HydrophobicContact CD2-CG2 4.45Å; L341-C360 WeakPolarHBondContact CA-O 3.13Å |
| 342 | F | 96.1 | Very high | 90.7 | Very high | 8 Ų | 8 | 56 Ų | 56 | 4% | 0.035 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | -2.9 | -177.8 | 79 | -87.6 | 0 | 0 | 0 | 115.5 | W278 C360 S361 W362 F387 | W278-F342 VanDerWaalsContact CH2-CA 3.5Å; W278-F342 HydrophobicContact CH2-CB 4.31Å; W278-F342 VanDerWaalsContact CZ2-CA 3.46Å; W278-F342 HydrophobicContact CZ2-CB 4.18Å; W278-F342 WeakPolarHBondContact CZ2-O 3.33Å; W278-F342 PolarHBondContact NE1-O 3.28Å; F342-C360 WeakPolarHBondContact CD1-O 3.37Å; F342-C360 HydrophobicContact CE1-CB 4.17Å; F342-C360 HydrophobicContact CZ-CB 4.35Å; F342-C360 PolarHBondContact N-O 2.95Å; F342-S361 VanDerWaalsContact CE1-C 3.46Å; F342-S361 WeakPolarHBondContact CE1-O 3.37Å; F342-W362 HydrophobicContact CB-CD2 4.47Å; F342-W362 HydrophobicContact CB-CZ2 4Å; F342-W362 HydrophobicContact CD1-CB 4.5Å; F342-W362 HydrophobicContact CD1-CD2 4.04Å; F342-W362 AromaticContact CD1-CG 3.96Å; F342-W362 HydrophobicContact CD1-CG 3.96Å; F342-W362 HydrophobicContact CG-CD2 4.25Å; F342-W362 AromaticContact CG-CE2 3.91Å; F342-W362 HydrophobicContact CG-CZ2 4.2Å; F342-F387 HydrophobicContact CE2-CB 3.9Å; F342-F387 HydrophobicContact CZ-CB 3.73Å |
| 343 | A | 97 | Very high | 89.7 | Confident | 2 Ų | 2 | 57.9 Ų | 57.9 | 2% | 0.017 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 145.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111 | V359 C360 F387 | A343-V359 VanDerWaalsContact O-CA 3.28Å; A343-V359 WeakPolarHBondContact O-CA 3.36Å; A343-C360 HydrophobicContact CB-CB 4.33Å; A343-C360 PolarHBondContact O-N 3.34Å; A343-F387 HydrophobicContact CB-CB 3.9Å; A343-F387 HydrophobicContact CB-CD1 3.73Å; A343-F387 HydrophobicContact CB-CG 4.28Å |
| 344 | L | 97.9 | Very high | 89.4 | Confident | 13 Ų | 13 | 55.9 Ų | 55.9 | 7% | 0.068 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 126.9 | 174 | 172.8 | 65.1 | 0 | 0 | 0 | 107.9 | W278 I280 C303 C305 M311 V358 V359 | W278-L344 HydrophobicContact CB-CB 3.75Å; W278-L344 HydrophobicContact CB-CD2 4.33Å; I280-L344 HydrophobicContact CD1-CD1 4.18Å; I280-L344 HydrophobicContact CD1-CD2 4.45Å; I280-L344 HydrophobicContact CD1-CG 3.99Å; I280-L344 HydrophobicContact CG1-CD2 3.97Å; I280-L344 HydrophobicContact CG1-CG 4.03Å; I280-L344 HydrophobicContact CG2-CD2 4.21Å; I280-L344 HydrophobicContact CG2-CG 3.98Å; C303-L344 HydrophobicContact CB-CD2 4.42Å; C303-L344 WeakPolarHBondContact O-CD2 3.47Å; C305-L344 HydrophobicContact CB-CB 4.14Å; C305-L344 HydrophobicContact CB-CD1 4.31Å; C305-L344 HydrophobicContact CB-CD2 3.88Å; C305-L344 HydrophobicContact CB-CG 4.33Å; M311-L344 HydrophobicContact CE-CD1 4.05Å; L344-V358 CarbonylContact C-O 3.48Å; L344-V358 WeakPolarHBondContact CA-O 3.35Å; L344-V359 HydrophobicContact CB-CG1 4.28Å; L344-V359 HydrophobicContact CD1-CG1 3.47Å; L344-V359 VanDerWaalsContact CD1-CG1 3.47Å; L344-V359 HydrophobicContact CG-CG1 4.47Å |
| 345 | C | 97 | Very high | 89.3 | Confident | 17 Ų | 17 | 53.6 Ų | 53.6 | 12% | 0.115 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 163.7 | 178.3 | -54.9 | 0 | 0 | 0 | 0 | 109.8 | I280 V358 A389 | I280-C345 VanDerWaalsContact CD1-C 3.42Å; C345-V358 PolarHBondContact N-O 3.19Å; C345-V358 PolarHBondContact O-N 2.82Å; C345-A389 HydrophobicContact CB-CB 4.15Å |
| 346 | K | 95.3 | Very high | 89.4 | Confident | 66 Ų | 66 | 53.6 Ų | 53.6 | 29% | 0.287 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 148.3 | 163.9 | 61.6 | -175.1 | -174.9 | -172.8 | 0 | 109.6 | I280 G281 N282 V283 D355 Q356 | I280-K346 HydrophobicContact CD1-CB 3.69Å; I280-K346 HydrophobicContact CD1-CG 4.19Å; G281-K346 PolarHBondContact O-NZ 2.86Å; N282-K346 PolarHBondContact O-NZ 3.04Å; V283-K346 HydrophobicContact CG2-CD 4.24Å; K346-D355 HydrophobicContact CB-CB 4.35Å; K346-Q356 CarbonylContact C-O 3.59Å; K346-Q356 VanDerWaalsContact CA-O 3.25Å; K346-Q356 WeakPolarHBondContact CA-O 3.29Å |
| 347 | M | 93.4 | Very high | 89.7 | Confident | 5 Ų | 5 | 46 Ų | 46 | 3% | 0.025 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 148.2 | 179.5 | 177 | 170.5 | 62.9 | 0 | 0 | 110.6 | L349 Q356 V358 A389 G390 P401 V402 L403 L418 | M347-L349 HydrophobicContact CE-CB 4.3Å; M347-L349 HydrophobicContact CE-CD1 4.28Å; M347-L349 PolarHBondContact O-N 2.86Å; M347-Q356 PolarHBondContact N-O 3.1Å; M347-Q356 PolarHBondContact O-N 3.3Å; M347-Q356 PolarHBondContact O-OE1 3.48Å; M347-V358 HydrophobicContact CB-CG2 4.36Å; M347-V358 HydrophobicContact CE-CG2 4.28Å; M347-A389 HydrophobicContact CB-CB 4.46Å; M347-A389 HydrophobicContact CE-CB 4.18Å; M347-A389 HydrophobicContact SD-CB 4.15Å; M347-G390 PolarHBondContact SD-N 2.72Å; M347-G390 VanDerWaalsContact SD-N 3.37Å; M347-P401 HydrophobicContact CE-CB 4.14Å; M347-P401 HydrophobicContact CG-CB 3.99Å; M347-P401 HydrophobicContact SD-CB 3.49Å; M347-P401 WeakPolarHBondContact SD-CB 3.4Å; M347-V402 PolarHBondContact SD-N 3.21Å; M347-V402 VanDerWaalsContact SD-N 3.42Å; M347-L403 HydrophobicContact CE-CD2 3.76Å; M347-L418 HydrophobicContact CE-CD1 3.92Å |
| 348 | K | 90.9 | Very high | 90.2 | Very high | 63 Ų | 63 | 44.4 Ų | 44.4 | 27% | 0.274 | 21% | 0.205 | S | C | . | . | trans | -84.3 | 96.2 | 168.1 | -172.3 | 65.7 | 155 | -162.3 | 0 | 110.2 | D352 D353 L391 P401 | K348-D352 WeakPolarHBondContact CE-O 3.43Å; K348-D352 PolarHBondContact NZ-O 3.08Å; K348-D353 PolarHBondContact NZ-O 2.82Å; K348-D353 IonicContact NZ-OD1 2.86Å; K348-D353 PolarHBondContact NZ-OD1 3.09Å; K348-L391 HydrophobicContact CB-CD2 4.47Å; K348-P401 WeakPolarHBondContact O-CB 3.4Å | ||
| 349 | L | 90.6 | Very high | 90.8 | Very high | 11 Ų | 11 | 32.3 Ų | 32.3 | 6% | 0.058 | 16% | 0.159 | C | C | . | . | trans | -102.5 | -42.8 | -177 | 179.4 | 59 | 0 | 0 | 0 | 112.7 | M347 Q356 I368 P401 L418 L420 I423 | M347-L349 HydrophobicContact CE-CB 4.3Å; M347-L349 HydrophobicContact CE-CD1 4.28Å; M347-L349 PolarHBondContact O-N 2.86Å; L349-Q356 HydrophobicContact CB-CB 4.44Å; L349-Q356 HydrophobicContact CB-CG 4.27Å; L349-I368 HydrophobicContact CD2-CD1 3.68Å; L349-I368 HydrophobicContact CD2-CG2 3.87Å; L349-P401 HydrophobicContact CD1-CB 3.99Å; L349-P401 HydrophobicContact CD1-CG 4.03Å; L349-L418 HydrophobicContact CD1-CB 3.47Å; L349-L418 VanDerWaalsContact CD1-CB 3.47Å; L349-L418 HydrophobicContact CD1-CD1 3.93Å; L349-L418 HydrophobicContact CD1-CG 4.36Å; L349-L420 HydrophobicContact CD1-CD1 4.35Å; L349-L420 HydrophobicContact CD2-CD1 3.79Å; L349-L420 HydrophobicContact CG-CD1 4.19Å; L349-I423 HydrophobicContact CD2-CD1 3.94Å | ||
| 350 | T | 86.2 | Confident | 91.1 | Very high | 7 Ų | 7 | 30.8 Ų | 30.8 | 4% | 0.043 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -93.2 | 166.9 | -179.1 | 55.9 | 0 | 0 | 0 | 0 | 111.7 | D352 Q356 I423 | T350-D352 PolarHBondContact O-N 2.98Å; T350-Q356 VanDerWaalsContact N-OE1 3.09Å; T350-Q356 PolarHBondContact OG1-NE2 2.73Å; T350-Q356 VanDerWaalsContact OG1-NE2 3.08Å; T350-Q356 PolarHBondContact OG1-OE1 3.26Å; T350-I423 HydrophobicContact CG2-CD1 4.03Å; T350-I423 HydrophobicContact CG2-CG1 4.02Å |
| 351 | K | 76.6 | Confident | 91.3 | Very high | 177 Ų | 177 | 26.1 Ų | 26.1 | 77% | 0.77 | 13% | 0.127 | S | C | * | . | S | Bend | trans | -70.8 | -20.1 | 174.8 | -67.2 | -175.8 | 178.7 | -179.1 | 0 | 113.1 | ||
| 352 | D | 75.1 | Confident | 91.3 | Very high | 60 Ų | 60 | 29.6 Ų | 29.6 | 32% | 0.321 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -62.5 | 156.4 | 178.1 | -54.4 | -12.9 | 0 | 0 | 0 | 111.4 | K348 T350 G354 | K348-D352 WeakPolarHBondContact CE-O 3.43Å; K348-D352 PolarHBondContact NZ-O 3.08Å; T350-D352 PolarHBondContact O-N 2.98Å; D352-G354 VanDerWaalsContact C-N 3.28Å; D352-G354 PolarHBondContact O-N 3.08Å |
| 353 | D | 70.2 | Confident | 91.2 | Very high | 97 Ų | 97 | 31.2 Ų | 31.2 | 52% | 0.519 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -73.8 | -16.4 | -173 | -156.2 | 24.9 | 0 | 0 | 0 | 114.3 | K348 | K348-D353 PolarHBondContact NZ-O 2.82Å; K348-D353 IonicContact NZ-OD1 2.86Å; K348-D353 PolarHBondContact NZ-OD1 3.09Å |
| 354 | G | 84.5 | Confident | 91.1 | Very high | 2 Ų | 2 | 31.1 Ų | 31.1 | 2% | 0.021 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -77.2 | 152.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | D352 Q356 | D352-G354 VanDerWaalsContact C-N 3.28Å; D352-G354 PolarHBondContact O-N 3.08Å; G354-Q356 PolarHBondContact O-NE2 3.1Å |
| 355 | D | 92.2 | Very high | 91 | Very high | 15 Ų | 15 | 31.8 Ų | 31.8 | 8% | 0.08 | 15% | 0.153 | C | C | . | . | P | Polyproline II helix | trans | -75.1 | 150.1 | 168.7 | -68.8 | -30.3 | 0 | 0 | 0 | 110.7 | V283 N284 K346 | V283-D355 HydrophobicContact CG1-CB 4.22Å; N284-D355 WeakPolarHBondContact CB-OD2 3.27Å; N284-D355 PolarHBondContact N-OD2 3.1Å; N284-D355 PolarHBondContact ND2-OD2 3.2Å; N284-D355 VanDerWaalsContact ND2-OD2 3.07Å; N284-D355 PolarHBondContact O-N 3.44Å; K346-D355 HydrophobicContact CB-CB 4.35Å |
| 356 | Q | 93.4 | Very high | 90.9 | Very high | 6 Ų | 6 | 31 Ų | 31 | 3% | 0.028 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 142.1 | 166.6 | -72.7 | 69.4 | 62.3 | 0 | 0 | 109.8 | K346 M347 L349 T350 G354 I368 F369 I423 | K346-Q356 CarbonylContact C-O 3.59Å; K346-Q356 VanDerWaalsContact CA-O 3.25Å; K346-Q356 WeakPolarHBondContact CA-O 3.29Å; M347-Q356 PolarHBondContact N-O 3.1Å; M347-Q356 PolarHBondContact O-N 3.3Å; M347-Q356 PolarHBondContact O-OE1 3.48Å; L349-Q356 HydrophobicContact CB-CB 4.44Å; L349-Q356 HydrophobicContact CB-CG 4.27Å; T350-Q356 VanDerWaalsContact N-OE1 3.09Å; T350-Q356 PolarHBondContact OG1-NE2 2.73Å; T350-Q356 VanDerWaalsContact OG1-NE2 3.08Å; T350-Q356 PolarHBondContact OG1-OE1 3.26Å; G354-Q356 PolarHBondContact O-NE2 3.1Å; Q356-I368 HydrophobicContact CB-CG2 3.77Å; Q356-I368 HydrophobicContact CG-CG2 4.24Å; Q356-F369 CarbonylContact C-O 3.58Å; Q356-F369 VanDerWaalsContact CA-O 3.29Å; Q356-F369 WeakPolarHBondContact CA-O 3.09Å; Q356-F369 WeakPolarHBondContact CB-O 3.38Å; Q356-I423 HydrophobicContact CG-CD1 4.04Å; Q356-I423 HydrophobicContact CG-CG1 3.87Å |
| 357 | L | 96.2 | Very high | 91 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 128.1 | 178.3 | -58.5 | 166 | 0 | 0 | 0 | 108.8 | I280 V283 C303 M311 L313 W331 I368 F369 | I280-L357 HydrophobicContact CD1-CD2 3.76Å; V283-L357 HydrophobicContact CG1-CD2 3.88Å; V283-L357 HydrophobicContact CG2-CD2 3.8Å; C303-L357 HydrophobicContact CB-CD1 4.13Å; C303-L357 HydrophobicContact CB-CD2 3.62Å; C303-L357 HydrophobicContact CB-CG 4.49Å; M311-L357 HydrophobicContact CE-CB 4.43Å; L313-L357 HydrophobicContact CD1-CD1 4.19Å; W331-L357 HydrophobicContact CH2-CD1 3.86Å; W331-L357 HydrophobicContact CZ2-CD1 3.6Å; L357-I368 CarbonylContact O-C 3.59Å; L357-I368 WeakPolarHBondContact O-CA 3.32Å; L357-F369 HydrophobicContact CB-CB 4.34Å; L357-F369 PolarHBondContact N-O 2.98Å; L357-F369 PolarHBondContact O-N 3.48Å |
| 358 | V | 97.2 | Very high | 91 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 126.4 | -175.2 | -172.3 | 0 | 0 | 0 | 0 | 108.9 | L344 C345 M347 T366 Y367 I368 F387 A389 L403 | L344-V358 CarbonylContact C-O 3.48Å; L344-V358 WeakPolarHBondContact CA-O 3.35Å; C345-V358 PolarHBondContact N-O 3.19Å; C345-V358 PolarHBondContact O-N 2.82Å; M347-V358 HydrophobicContact CB-CG2 4.36Å; M347-V358 HydrophobicContact CE-CG2 4.28Å; V358-T366 HydrophobicContact CG1-CG2 3.44Å; V358-T366 VanDerWaalsContact CG1-CG2 3.44Å; V358-Y367 WeakPolarHBondContact CA-O 3.36Å; V358-I368 HydrophobicContact CG1-CG1 4.12Å; V358-I368 HydrophobicContact CG2-CD1 4.49Å; V358-I368 HydrophobicContact CG2-CG1 4.18Å; V358-I368 HydrophobicContact CG2-CG2 4.14Å; V358-F387 HydrophobicContact CG1-CE1 3.7Å; V358-F387 HydrophobicContact CG1-CZ 3.57Å; V358-A389 HydrophobicContact CB-CB 4.11Å; V358-A389 HydrophobicContact CG1-CB 4.04Å; V358-A389 HydrophobicContact CG2-CB 4.1Å; V358-L403 HydrophobicContact CG1-CD2 4.22Å |
| 359 | V | 97.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 142.9 | 172.9 | -66 | 0 | 0 | 0 | 0 | 111 | C305 M311 L341 A343 L344 T366 Y367 F369 | C305-V359 HydrophobicContact CB-CG1 4.17Å; M311-V359 HydrophobicContact CE-CG1 3.46Å; M311-V359 VanDerWaalsContact CE-CG1 3.46Å; M311-V359 HydrophobicContact CE-CG2 4.39Å; M311-V359 HydrophobicContact CG-CG1 4.43Å; M311-V359 HydrophobicContact SD-CB 4.19Å; M311-V359 HydrophobicContact SD-CG1 3.53Å; M311-V359 VanDerWaalsContact SD-CG1 3.53Å; M311-V359 HydrophobicContact SD-CG2 3.59Å; M311-V359 VanDerWaalsContact SD-CG2 3.59Å; L341-V359 HydrophobicContact CD1-CB 4.38Å; L341-V359 HydrophobicContact CD1-CG2 4.27Å; L341-V359 HydrophobicContact CD2-CG2 4.45Å; A343-V359 VanDerWaalsContact O-CA 3.28Å; A343-V359 WeakPolarHBondContact O-CA 3.36Å; L344-V359 HydrophobicContact CB-CG1 4.28Å; L344-V359 HydrophobicContact CD1-CG1 3.47Å; L344-V359 VanDerWaalsContact CD1-CG1 3.47Å; L344-V359 HydrophobicContact CG-CG1 4.47Å; V359-T366 CarbonylContact O-C 3.52Å; V359-T366 WeakPolarHBondContact O-CA 3.49Å; V359-Y367 HydrophobicContact CG2-CD2 4.25Å; V359-Y367 HydrophobicContact CG2-CG 4.47Å; V359-Y367 PolarHBondContact N-O 3.46Å; V359-Y367 PolarHBondContact O-N 2.78Å; V359-F369 HydrophobicContact CG2-CE2 3.95Å |
| 360 | C | 97.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 140.5 | -179.7 | -169 | 0 | 0 | 0 | 0 | 110.8 | L341 F342 A343 T366 F387 | L341-C360 WeakPolarHBondContact CA-O 3.13Å; F342-C360 WeakPolarHBondContact CD1-O 3.37Å; F342-C360 HydrophobicContact CE1-CB 4.17Å; F342-C360 HydrophobicContact CZ-CB 4.35Å; F342-C360 PolarHBondContact N-O 2.95Å; A343-C360 HydrophobicContact CB-CB 4.33Å; A343-C360 PolarHBondContact O-N 3.34Å; C360-T366 PolarHBondContact SG-OG1 3.39Å; C360-F387 HydrophobicContact CB-CB 3.85Å; C360-F387 HydrophobicContact CB-CD1 3.47Å; C360-F387 VanDerWaalsContact CB-CD1 3.47Å; C360-F387 HydrophobicContact CB-CD2 3.88Å; C360-F387 HydrophobicContact CB-CE1 3.92Å; C360-F387 HydrophobicContact CB-CE2 4.28Å; C360-F387 HydrophobicContact CB-CG 3.43Å; C360-F387 VanDerWaalsContact CB-CG 3.43Å; C360-F387 HydrophobicContact CB-CZ 4.28Å |
| 361 | S | 96.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 155.1 | 175.5 | 63.9 | 0 | 0 | 0 | 0 | 111.1 | T337 S339 E340 F342 D363 G364 T365 | T337-S361 WeakPolarHBondContact OG1-CB 3.21Å; S339-S361 WeakPolarHBondContact OG-CB 3.34Å; E340-S361 VanDerWaalsContact O-CA 3.24Å; E340-S361 WeakPolarHBondContact O-CA 3.47Å; F342-S361 VanDerWaalsContact CE1-C 3.46Å; F342-S361 WeakPolarHBondContact CE1-O 3.37Å; S361-D363 PolarHBondContact O-N 3.2Å; S361-D363 VanDerWaalsContact O-N 3.09Å; S361-D363 PolarHBondContact OG-OD1 2.86Å; S361-G364 WeakPolarHBondContact O-CA 3.38Å; S361-G364 PolarHBondContact O-N 2.71Å; S361-T365 PolarHBondContact N-O 2.94Å; S361-T365 WeakPolarHBondContact OG-CB 3.41Å; S361-T365 PolarHBondContact OG-N 3.44Å; S361-T365 PolarHBondContact OG-O 3.1Å |
| 362 | W | 95.1 | Very high | 91.5 | Very high | 72 Ų | 72 | 21.9 Ų | 21.9 | 27% | 0.273 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -27.1 | -175.9 | -77.5 | 96.9 | 0 | 0 | 0 | 114.1 | S339 E340 F342 G364 S383 C384 Q385 F408 | S339-W362 PolarHBondContact OG-N 3.04Å; E340-W362 VanDerWaalsContact O-CD1 3.26Å; E340-W362 PolarHBondContact O-N 2.91Å; F342-W362 HydrophobicContact CB-CD2 4.47Å; F342-W362 HydrophobicContact CB-CZ2 4Å; F342-W362 HydrophobicContact CD1-CB 4.5Å; F342-W362 HydrophobicContact CD1-CD2 4.04Å; F342-W362 AromaticContact CD1-CG 3.96Å; F342-W362 HydrophobicContact CD1-CG 3.96Å; F342-W362 HydrophobicContact CG-CD2 4.25Å; F342-W362 AromaticContact CG-CE2 3.91Å; F342-W362 HydrophobicContact CG-CZ2 4.2Å; W362-G364 PolarHBondContact O-N 2.69Å; W362-S383 CarbonylContact O-C 3.39Å; W362-S383 WeakPolarHBondContact O-CA 3.32Å; W362-S383 WeakPolarHBondContact O-CB 3.04Å; W362-C384 PolarHBondContact O-N 3.28Å; W362-Q385 HydrophobicContact CH2-CB 4.44Å; W362-Q385 VanDerWaalsContact CZ3-CA 3.43Å; W362-Q385 HydrophobicContact CZ3-CB 3.72Å; W362-F408 HydrophobicContact CE3-CE2 4.02Å; W362-F408 AromaticContact CE3-CZ 3.66Å; W362-F408 HydrophobicContact CE3-CZ 3.66Å; W362-F408 HydrophobicContact CZ3-CE1 4.41Å; W362-F408 HydrophobicContact CZ3-CE2 4.29Å; W362-F408 AromaticContact CZ3-CZ 3.59Å; W362-F408 HydrophobicContact CZ3-CZ 3.59Å |
| 363 | D | 94.7 | Very high | 92.1 | Very high | 43 Ų | 43 | 21.6 Ų | 21.6 | 23% | 0.23 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | 0.5 | 174.8 | 67.2 | 39.7 | 0 | 0 | 0 | 114.3 | S339 S361 T365 R382 | S339-D363 PolarHBondContact OG-N 3.44Å; S339-D363 VanDerWaalsContact OG-N 3.16Å; S339-D363 PolarHBondContact OG-OD2 2.86Å; S361-D363 PolarHBondContact O-N 3.2Å; S361-D363 VanDerWaalsContact O-N 3.09Å; S361-D363 PolarHBondContact OG-OD1 2.86Å; D363-T365 VanDerWaalsContact C-N 3.34Å; D363-T365 WeakPolarHBondContact OD1-CB 3.32Å; D363-T365 PolarHBondContact OD1-N 2.72Å; D363-T365 PolarHBondContact OD1-OG1 2.51Å; D363-R382 CarbonylContact C-O 3.5Å; D363-R382 CarbonylContact O-C 3.58Å |
| 364 | G | 94.8 | Very high | 93 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.1 | C | C | . | . | S | Bend | trans | 84.5 | 3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | S361 W362 T366 L380 R382 | S361-G364 WeakPolarHBondContact O-CA 3.38Å; S361-G364 PolarHBondContact O-N 2.71Å; W362-G364 PolarHBondContact O-N 2.69Å; G364-T366 PolarHBondContact O-N 3.39Å; G364-L380 WeakPolarHBondContact O-CB 3.23Å; G364-L380 PolarHBondContact O-N 2.89Å; G364-L380 VanDerWaalsContact O-N 3.16Å; G364-R382 WeakPolarHBondContact CA-O 3.35Å |
| 365 | T | 95.5 | Very high | 93.4 | Very high | 27 Ų | 27 | 21.2 Ų | 21.2 | 17% | 0.166 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 120.4 | 171.8 | -53.1 | 0 | 0 | 0 | 0 | 109.5 | S361 D363 Y367 C377 | S361-T365 PolarHBondContact N-O 2.94Å; S361-T365 WeakPolarHBondContact OG-CB 3.41Å; S361-T365 PolarHBondContact OG-N 3.44Å; S361-T365 PolarHBondContact OG-O 3.1Å; D363-T365 VanDerWaalsContact C-N 3.34Å; D363-T365 WeakPolarHBondContact OD1-CB 3.32Å; D363-T365 PolarHBondContact OD1-N 2.72Å; D363-T365 PolarHBondContact OD1-OG1 2.51Å; T365-Y367 HydrophobicContact CG2-CD2 4.42Å; T365-Y367 HydrophobicContact CG2-CE1 4.21Å; T365-Y367 HydrophobicContact CG2-CE2 3.67Å; T365-Y367 WeakPolarHBondContact CG2-OH 3.24Å; T365-C377 WeakPolarHBondContact CG2-SG 3.12Å |
| 366 | T | 96.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 128.5 | -179.7 | -61.9 | 0 | 0 | 0 | 0 | 110.1 | V358 V359 C360 G364 I368 C377 F378 F387 L403 Y405 | V358-T366 HydrophobicContact CG1-CG2 3.44Å; V358-T366 VanDerWaalsContact CG1-CG2 3.44Å; V359-T366 CarbonylContact O-C 3.52Å; V359-T366 WeakPolarHBondContact O-CA 3.49Å; C360-T366 PolarHBondContact SG-OG1 3.39Å; G364-T366 PolarHBondContact O-N 3.39Å; T366-I368 HydrophobicContact CG2-CG1 4.41Å; T366-C377 CarbonylContact O-C 3.51Å; T366-C377 VanDerWaalsContact O-CA 3.24Å; T366-C377 WeakPolarHBondContact O-CA 3.34Å; T366-F378 PolarHBondContact N-O 3.49Å; T366-F378 PolarHBondContact O-N 3.38Å; T366-F387 HydrophobicContact CG2-CE2 4.21Å; T366-F387 HydrophobicContact CG2-CZ 3.8Å; T366-L403 HydrophobicContact CG2-CD1 4.45Å; T366-L403 HydrophobicContact CG2-CD2 4.48Å; T366-Y405 WeakPolarHBondContact CB-OH 3.36Å; T366-Y405 VanDerWaalsContact OG1-CE1 3.31Å; T366-Y405 WeakPolarHBondContact OG1-CE1 3.26Å; T366-Y405 PolarHBondContact OG1-OH 3.49Å |
| 367 | Y | 95.8 | Very high | 93.2 | Very high | 20 Ų | 20 | 21.1 Ų | 21.1 | 8% | 0.078 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 135.5 | 177 | -56.4 | -93 | 0 | 0 | 0 | 109.2 | M1 V335 H336 V358 V359 T365 F369 L376 C377 | M1-Y367 HydrophobicContact CE-CD1 3.67Å; M1-Y367 HydrophobicContact CE-CE1 3.75Å; M1-Y367 HydrophobicContact SD-CD1 3.67Å; M1-Y367 HydrophobicContact SD-CE1 3.64Å; V335-Y367 HydrophobicContact CG1-CD1 4.11Å; V335-Y367 HydrophobicContact CG1-CD2 3.6Å; V335-Y367 HydrophobicContact CG1-CE1 4.16Å; V335-Y367 HydrophobicContact CG1-CE2 3.66Å; V335-Y367 HydrophobicContact CG1-CG 3.84Å; H336-Y367 PolarHBondContact O-OH 3.03Å; V358-Y367 WeakPolarHBondContact CA-O 3.36Å; V359-Y367 HydrophobicContact CG2-CD2 4.25Å; V359-Y367 HydrophobicContact CG2-CG 4.47Å; V359-Y367 PolarHBondContact N-O 3.46Å; V359-Y367 PolarHBondContact O-N 2.78Å; T365-Y367 HydrophobicContact CG2-CD2 4.42Å; T365-Y367 HydrophobicContact CG2-CE1 4.21Å; T365-Y367 HydrophobicContact CG2-CE2 3.67Å; T365-Y367 WeakPolarHBondContact CG2-OH 3.24Å; Y367-F369 VanDerWaalsContact CB-CE2 3.5Å; Y367-L376 WeakPolarHBondContact CA-O 3.16Å; Y367-C377 HydrophobicContact CD1-CB 4.26Å; Y367-C377 HydrophobicContact CE1-CB 4.42Å |
| 368 | I | 95.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 122 | 178.7 | -50.9 | -174.4 | 0 | 0 | 0 | 107.9 | L349 Q356 L357 V358 T366 S375 L376 L403 I423 | L349-I368 HydrophobicContact CD2-CD1 3.68Å; L349-I368 HydrophobicContact CD2-CG2 3.87Å; Q356-I368 HydrophobicContact CB-CG2 3.77Å; Q356-I368 HydrophobicContact CG-CG2 4.24Å; L357-I368 CarbonylContact O-C 3.59Å; L357-I368 WeakPolarHBondContact O-CA 3.32Å; V358-I368 HydrophobicContact CG1-CG1 4.12Å; V358-I368 HydrophobicContact CG2-CD1 4.49Å; V358-I368 HydrophobicContact CG2-CG1 4.18Å; V358-I368 HydrophobicContact CG2-CG2 4.14Å; T366-I368 HydrophobicContact CG2-CG1 4.41Å; I368-S375 CarbonylContact O-C 3.49Å; I368-S375 VanDerWaalsContact O-CA 3.28Å; I368-S375 WeakPolarHBondContact O-CA 3.41Å; I368-L376 HydrophobicContact CB-CD1 3.82Å; I368-L376 HydrophobicContact CB-CG 3.98Å; I368-L376 HydrophobicContact CD1-CD1 3.84Å; I368-L376 HydrophobicContact CG1-CD1 3.87Å; I368-L376 PolarHBondContact N-O 3.35Å; I368-L376 PolarHBondContact O-N 3.24Å; I368-L403 HydrophobicContact CD1-CD2 4.28Å; I368-I423 HydrophobicContact CG2-CD1 4.06Å |
| 369 | F | 93.9 | Very high | 92.9 | Very high | 3 Ų | 3 | 24.7 Ų | 24.7 | 1% | 0.013 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 140.6 | 179.8 | -60.3 | -92.8 | 0 | 0 | 0 | 110.2 | M311 I333 V335 Q356 L357 V359 Y367 N374 S375 | M311-F369 HydrophobicContact CE-CD2 4.01Å; M311-F369 HydrophobicContact CE-CE2 4.28Å; M311-F369 HydrophobicContact SD-CD2 3.91Å; M311-F369 HydrophobicContact SD-CE2 3.56Å; M311-F369 VanDerWaalsContact SD-CE2 3.56Å; M311-F369 HydrophobicContact SD-CZ 4.26Å; I333-F369 HydrophobicContact CD1-CE1 4.13Å; I333-F369 HydrophobicContact CG2-CE1 4.31Å; V335-F369 HydrophobicContact CG2-CE2 4.06Å; V335-F369 HydrophobicContact CG2-CZ 3.7Å; Q356-F369 CarbonylContact C-O 3.58Å; Q356-F369 VanDerWaalsContact CA-O 3.29Å; Q356-F369 WeakPolarHBondContact CA-O 3.09Å; Q356-F369 WeakPolarHBondContact CB-O 3.38Å; L357-F369 HydrophobicContact CB-CB 4.34Å; L357-F369 PolarHBondContact N-O 2.98Å; L357-F369 PolarHBondContact O-N 3.48Å; V359-F369 HydrophobicContact CG2-CE2 3.95Å; Y367-F369 VanDerWaalsContact CB-CE2 3.5Å; F369-N374 VanDerWaalsContact CA-O 3.25Å; F369-N374 WeakPolarHBondContact CA-O 3.31Å; F369-S375 VanDerWaalsContact CE1-CB 3.43Å |
| 370 | D | 89.1 | Confident | 92.6 | Very high | 9 Ų | 9 | 25.4 Ų | 25.4 | 5% | 0.048 | 14% | 0.137 | C | C | . | . | trans | -84.9 | 172.8 | 160.1 | 69.4 | 13.7 | 0 | 0 | 0 | 110.7 | N372 N373 N374 I423 | D370-N372 PolarHBondContact O-N 3.44Å; D370-N372 VanDerWaalsContact O-N 3.16Å; D370-N372 VanDerWaalsContact OD1-CA 3.29Å; D370-N372 WeakPolarHBondContact OD1-CA 3.37Å; D370-N372 WeakPolarHBondContact OD1-CB 3.18Å; D370-N372 PolarHBondContact OD1-N 3.1Å; D370-N373 PolarHBondContact O-N 2.61Å; D370-N373 VanDerWaalsContact O-N 3.13Å; D370-N373 PolarHBondContact OD1-N 3.12Å; D370-N374 PolarHBondContact N-O 2.9Å; D370-N374 PolarHBondContact OD1-N 2.85Å; D370-N374 PolarHBondContact OD1-ND2 2.69Å; D370-N374 WeakPolarHBondContact OD2-CB 3.06Å; D370-N374 PolarHBondContact OD2-ND2 2.89Å; D370-I423 HydrophobicContact CB-CB 4.18Å; D370-I423 HydrophobicContact CB-CG1 4.06Å | ||
| 371 | I | 85.7 | Confident | 92.3 | Very high | 10 Ų | 10 | 28.9 Ų | 28.9 | 5% | 0.051 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -20.6 | 175 | 55.2 | 135.7 | 0 | 0 | 0 | 113.7 | H285 W331 N373 | H285-I371 VanDerWaalsContact CD2-CD1 3.44Å; H285-I371 WeakPolarHBondContact CD2-CD1 3.03Å; H285-I371 WeakPolarHBondContact NE2-CD1 3.1Å; W331-I371 PolarHBondContact NE1-O 3.22Å; I371-N373 VanDerWaalsContact C-N 3.33Å |
| 372 | N | 84.7 | Confident | 92 | Very high | 95 Ų | 95 | 33.9 Ų | 33.9 | 51% | 0.508 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 10.5 | -179.4 | -62.3 | -49.8 | 0 | 0 | 0 | 112.3 | D370 N374 | D370-N372 PolarHBondContact O-N 3.44Å; D370-N372 VanDerWaalsContact O-N 3.16Å; D370-N372 VanDerWaalsContact OD1-CA 3.29Å; D370-N372 WeakPolarHBondContact OD1-CA 3.37Å; D370-N372 WeakPolarHBondContact OD1-CB 3.18Å; D370-N372 PolarHBondContact OD1-N 3.1Å; N372-N374 PolarHBondContact O-N 2.78Å |
| 373 | N | 88.6 | Confident | 92 | Very high | 54 Ų | 54 | 33.7 Ų | 33.7 | 29% | 0.289 | 20% | 0.2 | S | C | . | . | trans | 62.7 | 21.2 | -178.6 | -167.9 | 28.9 | 0 | 0 | 0 | 114.4 | W331 I333 D370 I371 | W331-N373 HydrophobicContact CD2-CB 4.2Å; W331-N373 HydrophobicContact CG-CB 4.2Å; I333-N373 WeakPolarHBondContact CD1-OD1 3.31Å; D370-N373 PolarHBondContact O-N 2.61Å; D370-N373 VanDerWaalsContact O-N 3.13Å; D370-N373 PolarHBondContact OD1-N 3.12Å; I371-N373 VanDerWaalsContact C-N 3.33Å | ||
| 374 | N | 89.7 | Confident | 92.1 | Very high | 60 Ų | 60 | 31.6 Ų | 31.6 | 32% | 0.321 | 19% | 0.19 | S | C | . | . | trans | -73.8 | 145.4 | 161.3 | -56.8 | -72 | 0 | 0 | 0 | 108.7 | F369 D370 N372 I423 A424 | F369-N374 VanDerWaalsContact CA-O 3.25Å; F369-N374 WeakPolarHBondContact CA-O 3.31Å; D370-N374 PolarHBondContact N-O 2.9Å; D370-N374 PolarHBondContact OD1-N 2.85Å; D370-N374 PolarHBondContact OD1-ND2 2.69Å; D370-N374 WeakPolarHBondContact OD2-CB 3.06Å; D370-N374 PolarHBondContact OD2-ND2 2.89Å; N372-N374 PolarHBondContact O-N 2.78Å; N374-I423 HydrophobicContact CB-CB 4.5Å; N374-I423 HydrophobicContact CB-CG2 4.04Å; N374-I423 WeakPolarHBondContact O-CG2 3.43Å; N374-A424 HydrophobicContact CB-CB 4.09Å | ||
| 375 | S | 90.9 | Very high | 92.1 | Very high | 32 Ų | 32 | 32.8 Ų | 32.8 | 22% | 0.224 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 147 | -174.6 | 66 | 0 | 0 | 0 | 0 | 113.1 | I368 F369 | I368-S375 CarbonylContact O-C 3.49Å; I368-S375 VanDerWaalsContact O-CA 3.28Å; I368-S375 WeakPolarHBondContact O-CA 3.41Å; F369-S375 VanDerWaalsContact CE1-CB 3.43Å |
| 376 | L | 91.3 | Very high | 92.2 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 164.5 | 164 | 69.6 | 80.5 | 0 | 0 | 0 | 110 | R2 Y367 I368 L420 I423 | R2-L376 HydrophobicContact CB-CB 4.13Å; R2-L376 CarbonylContact O-C 3.37Å; R2-L376 WeakPolarHBondContact O-CA 3.38Å; Y367-L376 WeakPolarHBondContact CA-O 3.16Å; I368-L376 HydrophobicContact CB-CD1 3.82Å; I368-L376 HydrophobicContact CB-CG 3.98Å; I368-L376 HydrophobicContact CD1-CD1 3.84Å; I368-L376 HydrophobicContact CG1-CD1 3.87Å; I368-L376 PolarHBondContact N-O 3.35Å; I368-L376 PolarHBondContact O-N 3.24Å; L376-L420 HydrophobicContact CD2-CD1 3.46Å; L376-L420 VanDerWaalsContact CD2-CD1 3.46Å; L376-L420 HydrophobicContact CD2-CD2 4.43Å; L376-I423 HydrophobicContact CD2-CD1 3.46Å; L376-I423 VanDerWaalsContact CD2-CD1 3.46Å; L376-I423 HydrophobicContact CD2-CG2 4.26Å; L376-I423 HydrophobicContact CG-CD1 4.23Å; L376-I423 HydrophobicContact CG-CG2 4.37Å |
| 377 | C | 92 | Very high | 92.2 | Very high | 18 Ų | 18 | 31.5 Ų | 31.5 | 12% | 0.122 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 146.4 | 178.8 | 166 | 0 | 0 | 0 | 0 | 110.9 | M1 R2 S3 L4 T365 T366 Y367 | M1-C377 HydrophobicContact CG-CB 3.93Å; M1-C377 HydrophobicContact SD-CB 3.37Å; M1-C377 WeakPolarHBondContact SD-CB 3.34Å; R2-C377 PolarHBondContact O-N 2.79Å; S3-C377 CarbonylContact C-O 3.59Å; S3-C377 VanDerWaalsContact CA-O 3.24Å; S3-C377 WeakPolarHBondContact CA-O 3.47Å; L4-C377 PolarHBondContact N-O 3.49Å; T365-C377 WeakPolarHBondContact CG2-SG 3.12Å; T366-C377 CarbonylContact O-C 3.51Å; T366-C377 VanDerWaalsContact O-CA 3.24Å; T366-C377 WeakPolarHBondContact O-CA 3.34Å; Y367-C377 HydrophobicContact CD1-CB 4.26Å; Y367-C377 HydrophobicContact CE1-CB 4.42Å |
| 378 | F | 93.2 | Very high | 92.4 | Very high | 10 Ų | 10 | 31.7 Ų | 31.7 | 4% | 0.044 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 105.8 | 167.3 | -178.7 | -95.2 | 0 | 0 | 0 | 108.4 | L4 V7 T366 L380 L403 Y405 Y415 | L4-F378 HydrophobicContact CB-CD2 3.9Å; L4-F378 HydrophobicContact CD2-CD2 3.99Å; L4-F378 HydrophobicContact CG-CD2 4.06Å; L4-F378 WeakPolarHBondContact O-CD2 3.38Å; V7-F378 HydrophobicContact CG1-CE2 4.31Å; V7-F378 HydrophobicContact CG2-CE2 3.58Å; V7-F378 HydrophobicContact CG2-CZ 3.85Å; T366-F378 PolarHBondContact N-O 3.49Å; T366-F378 PolarHBondContact O-N 3.38Å; F378-L380 PolarHBondContact O-N 2.96Å; F378-L403 HydrophobicContact CB-CD1 4.04Å; F378-L403 HydrophobicContact CD1-CD1 3.81Å; F378-L403 HydrophobicContact CE1-CD1 4.41Å; F378-L403 HydrophobicContact CG-CD1 3.88Å; F378-Y405 WeakPolarHBondContact CD1-OH 3.49Å; F378-Y405 HydrophobicContact CE1-CE2 4.25Å; F378-Y415 HydrophobicContact CE1-CD1 4.31Å; F378-Y415 HydrophobicContact CE1-CD2 4.33Å; F378-Y415 HydrophobicContact CE1-CE1 4.41Å; F378-Y415 HydrophobicContact CE1-CE2 4.47Å; F378-Y415 HydrophobicContact CE1-CG 4.23Å; F378-Y415 AromaticContact CZ-CD1 3.67Å; F378-Y415 HydrophobicContact CZ-CD1 3.67Å; F378-Y415 HydrophobicContact CZ-CD2 4.48Å; F378-Y415 AromaticContact CZ-CE1 3.79Å; F378-Y415 HydrophobicContact CZ-CE1 3.79Å; F378-Y415 AromaticContact CZ-CG 4Å; F378-Y415 HydrophobicContact CZ-CG 4Å |
| 379 | P | 92.1 | Very high | 92.5 | Very high | 65 Ų | 65 | 32 Ų | 32 | 42% | 0.422 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 108.6 | 176.9 | 30.9 | -31.1 | 0 | 0 | 0 | 110 | S3 G381 | S3-P379 WeakPolarHBondContact OG-CD 3.37Å; P379-G381 PolarHBondContact O-N 3.34Å |
| 380 | L | 92.5 | Very high | 92.6 | Very high | 15 Ų | 15 | 32.2 Ų | 32.2 | 8% | 0.079 | 20% | 0.195 | C | C | . | . | trans | -61.9 | -31.8 | 171.9 | -177.2 | 68.4 | 0 | 0 | 0 | 111.6 | G364 F378 R382 C384 Y405 L413 Y415 | G364-L380 WeakPolarHBondContact O-CB 3.23Å; G364-L380 PolarHBondContact O-N 2.89Å; G364-L380 VanDerWaalsContact O-N 3.16Å; F378-L380 PolarHBondContact O-N 2.96Å; L380-R382 VanDerWaalsContact C-N 3.34Å; L380-R382 HydrophobicContact CD2-CG 3.59Å; L380-R382 HydrophobicContact CG-CG 3.69Å; L380-C384 HydrophobicContact CD2-CB 4.27Å; L380-Y405 HydrophobicContact CB-CE1 4.28Å; L380-Y405 HydrophobicContact CD1-CD1 4.5Å; L380-Y405 HydrophobicContact CD1-CD2 3.98Å; L380-Y405 HydrophobicContact CD1-CE2 4.14Å; L380-Y405 HydrophobicContact CD1-CG 4.17Å; L380-Y405 HydrophobicContact CD2-CD1 3.63Å; L380-Y405 HydrophobicContact CD2-CD2 4.41Å; L380-Y405 HydrophobicContact CD2-CE1 4.17Å; L380-Y405 HydrophobicContact CD2-CG 3.76Å; L380-Y405 HydrophobicContact CG-CD1 4.43Å; L380-L413 HydrophobicContact CD1-CD1 4.1Å; L380-Y415 HydrophobicContact CD1-CD2 4.28Å; L380-Y415 HydrophobicContact CD1-CE2 3.33Å | ||
| 381 | G | 90.1 | Very high | 93 | Very high | 72 Ų | 72 | 34.9 Ų | 34.9 | 74% | 0.742 | 21% | 0.209 | S | C | * | . | S | Bend | trans | 76.4 | 17.8 | 179 | 0 | 0 | 0 | 0 | 0 | 114.4 | P379 | P379-G381 PolarHBondContact O-N 3.34Š|
| 382 | R | 91.8 | Very high | 93.6 | Very high | 106 Ų | 106 | 34.4 Ų | 34.4 | 40% | 0.4 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -156.3 | 154.2 | 174.4 | 60.1 | -179.1 | 67.6 | -150.3 | -5.6 | 109.7 | D363 G364 L380 D409 | D363-R382 CarbonylContact C-O 3.5Å; D363-R382 CarbonylContact O-C 3.58Å; G364-R382 WeakPolarHBondContact CA-O 3.35Å; L380-R382 VanDerWaalsContact C-N 3.34Å; L380-R382 HydrophobicContact CD2-CG 3.59Å; L380-R382 HydrophobicContact CG-CG 3.69Å; R382-D409 IonicContact NH1-OD2 2.7Å |
| 383 | S | 94.7 | Very high | 94.2 | Very high | 67 Ų | 67 | 30 Ų | 30 | 47% | 0.469 | 18% | 0.183 | S | C | . | . | trans | -68.5 | 146.9 | 178.2 | -50.2 | 0 | 0 | 0 | 0 | 112.5 | W362 | W362-S383 CarbonylContact O-C 3.39Å; W362-S383 WeakPolarHBondContact O-CA 3.32Å; W362-S383 WeakPolarHBondContact O-CB 3.04Å | ||
| 384 | C | 95.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 159.6 | 177.4 | 63.6 | 0 | 0 | 0 | 0 | 110.4 | W362 L380 Y405 S406 F408 | W362-C384 PolarHBondContact O-N 3.28Å; L380-C384 HydrophobicContact CD2-CB 4.27Å; C384-Y405 HydrophobicContact CB-CD1 4.43Å; C384-S406 CarbonylContact C-O 3.57Å; C384-S406 WeakPolarHBondContact CA-O 3.47Å; C384-S406 VanDerWaalsContact CB-O 3.3Å; C384-S406 WeakPolarHBondContact CB-O 3.48Å; C384-F408 WeakPolarHBondContact O-CE2 2.98Å |
| 385 | Q | 94.7 | Very high | 94.8 | Very high | 24 Ų | 24 | 28.5 Ų | 28.5 | 11% | 0.112 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | -20.5 | -173 | 60.9 | 179.8 | 30.5 | 0 | 0 | 114.1 | T17 W362 S406 F408 | T17-Q385 WeakPolarHBondContact O-CG 3.46Å; T17-Q385 PolarHBondContact O-NE2 3.24Å; W362-Q385 HydrophobicContact CH2-CB 4.44Å; W362-Q385 VanDerWaalsContact CZ3-CA 3.43Å; W362-Q385 HydrophobicContact CZ3-CB 3.72Å; Q385-S406 WeakPolarHBondContact CG-O 3.42Å; Q385-S406 PolarHBondContact N-O 3.1Å; Q385-F408 HydrophobicContact CB-CD1 4.34Å; Q385-F408 HydrophobicContact CB-CE1 3.92Å; Q385-F408 HydrophobicContact CB-CE2 4.2Å; Q385-F408 HydrophobicContact CB-CZ 3.86Å |
| 386 | A | 97.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 148.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | T17 D19 L23 S406 | T17-A386 HydrophobicContact CG2-CB 3.56Å; D19-A386 VanDerWaalsContact C-CB 3.48Å; D19-A386 WeakPolarHBondContact O-CB 3.38Å; L23-A386 HydrophobicContact CD1-CB 3.89Å; A386-S406 PolarHBondContact N-O 2.84Å; A386-S406 PolarHBondContact O-N 2.9Å |
| 387 | F | 98.4 | Very high | 95.3 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 0% | 0.004 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 138.8 | -178.3 | 174.1 | -94.3 | 0 | 0 | 0 | 111.1 | S20 F342 A343 V358 C360 T366 A389 L403 I404 Y405 | S20-F387 WeakPolarHBondContact CB-O 3.21Å; S20-F387 PolarHBondContact OG-N 2.9Å; S20-F387 PolarHBondContact OG-O 3.23Å; F342-F387 HydrophobicContact CE2-CB 3.9Å; F342-F387 HydrophobicContact CZ-CB 3.73Å; A343-F387 HydrophobicContact CB-CB 3.9Å; A343-F387 HydrophobicContact CB-CD1 3.73Å; A343-F387 HydrophobicContact CB-CG 4.28Å; V358-F387 HydrophobicContact CG1-CE1 3.7Å; V358-F387 HydrophobicContact CG1-CZ 3.57Å; C360-F387 HydrophobicContact CB-CB 3.85Å; C360-F387 HydrophobicContact CB-CD1 3.47Å; C360-F387 VanDerWaalsContact CB-CD1 3.47Å; C360-F387 HydrophobicContact CB-CD2 3.88Å; C360-F387 HydrophobicContact CB-CE1 3.92Å; C360-F387 HydrophobicContact CB-CE2 4.28Å; C360-F387 HydrophobicContact CB-CG 3.43Å; C360-F387 VanDerWaalsContact CB-CG 3.43Å; C360-F387 HydrophobicContact CB-CZ 4.28Å; T366-F387 HydrophobicContact CG2-CE2 4.21Å; T366-F387 HydrophobicContact CG2-CZ 3.8Å; F387-A389 HydrophobicContact CE1-CB 4.03Å; F387-A389 HydrophobicContact CZ-CB 3.86Å; F387-L403 HydrophobicContact CE2-CB 4.19Å; F387-L403 HydrophobicContact CE2-CD2 4.49Å; F387-L403 HydrophobicContact CZ-CD2 4.1Å; F387-I404 VanDerWaalsContact CA-O 3.32Å; F387-I404 WeakPolarHBondContact CA-O 3.47Å; F387-I404 VanDerWaalsContact CD2-O 3.23Å; F387-I404 WeakPolarHBondContact CD2-O 3.11Å; F387-Y405 AromaticContact CD2-CD1 3.51Å; F387-Y405 HydrophobicContact CD2-CD1 3.51Å; F387-Y405 AromaticContact CD2-CE1 3.44Å; F387-Y405 HydrophobicContact CD2-CE1 3.44Å; F387-Y405 VanDerWaalsContact CD2-CE1 3.44Å; F387-Y405 HydrophobicContact CD2-CG 4.12Å; F387-Y405 AromaticContact CD2-CZ 3.98Å; F387-Y405 HydrophobicContact CE2-CD1 4Å; F387-Y405 AromaticContact CE2-CE1 3.48Å; F387-Y405 HydrophobicContact CE2-CE1 3.48Å; F387-Y405 VanDerWaalsContact CE2-CE1 3.48Å; F387-Y405 HydrophobicContact CE2-CE2 4.18Å; F387-Y405 AromaticContact CE2-CZ 3.57Å |
| 388 | I | 98.4 | Very high | 95.4 | Very high | 24 Ų | 24 | 39.4 Ų | 39.4 | 12% | 0.123 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 150 | 165.8 | -165.5 | 166 | 0 | 0 | 0 | 109.7 | L23 L25 L36 I404 | L23-I388 HydrophobicContact CB-CB 3.98Å; L23-I388 HydrophobicContact CB-CD1 4.1Å; L23-I388 HydrophobicContact CB-CG2 3.86Å; L23-I388 HydrophobicContact CD1-CB 4.03Å; L23-I388 HydrophobicContact CD1-CG2 3.89Å; L23-I388 HydrophobicContact CG-CG2 4.39Å; L25-I388 HydrophobicContact CD1-CG1 4.43Å; L25-I388 HydrophobicContact CD1-CG2 4.5Å; L25-I388 HydrophobicContact CG-CD1 4.41Å; L36-I388 HydrophobicContact CD1-CG2 4.31Å; I388-I404 HydrophobicContact CG2-CB 3.74Å; I388-I404 HydrophobicContact CG2-CD1 3.91Å; I388-I404 HydrophobicContact CG2-CG1 4.21Å; I388-I404 HydrophobicContact CG2-CG2 4.23Å; I388-I404 PolarHBondContact N-O 3.15Å; I388-I404 WeakPolarHBondContact O-CA 3.47Å; I388-I404 WeakPolarHBondContact O-CB 3.44Å; I388-I404 PolarHBondContact O-N 3.21Å |
| 389 | A | 98 | Very high | 95.5 | Very high | 5 Ų | 5 | 41.6 Ų | 41.6 | 4% | 0.041 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 147.1 | 170 | 0 | 0 | 0 | 0 | 0 | 109.5 | C345 M347 V358 F387 V402 L403 | C345-A389 HydrophobicContact CB-CB 4.15Å; M347-A389 HydrophobicContact CB-CB 4.46Å; M347-A389 HydrophobicContact CE-CB 4.18Å; M347-A389 HydrophobicContact SD-CB 4.15Å; V358-A389 HydrophobicContact CB-CB 4.11Å; V358-A389 HydrophobicContact CG1-CB 4.04Å; V358-A389 HydrophobicContact CG2-CB 4.1Å; F387-A389 HydrophobicContact CE1-CB 4.03Å; F387-A389 HydrophobicContact CZ-CB 3.86Å; A389-V402 WeakPolarHBondContact CA-O 3.47Å; A389-L403 HydrophobicContact CB-CD2 3.87Å |
| 390 | G | 96.9 | Very high | 95.6 | Very high | 9 Ų | 9 | 39 Ų | 39 | 9% | 0.093 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 168.1 | -162.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | M347 P401 V402 | M347-G390 PolarHBondContact SD-N 2.72Å; M347-G390 VanDerWaalsContact SD-N 3.37Å; G390-P401 WeakPolarHBondContact O-CA 3.27Å; G390-V402 PolarHBondContact N-O 2.76Å; G390-V402 WeakPolarHBondContact O-CG2 3.18Å; G390-V402 PolarHBondContact O-N 3.32Å |
| 391 | L | 96.3 | Very high | 95.7 | Very high | 65 Ų | 65 | 39.5 Ų | 39.5 | 34% | 0.34 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 130.7 | 174.7 | -63.4 | 179.4 | 0 | 0 | 0 | 109.7 | N34 K348 N399 S400 P401 | N34-L391 WeakPolarHBondContact CB-O 3.48Å; K348-L391 HydrophobicContact CB-CD2 4.47Å; L391-N399 HydrophobicContact CB-CB 4.3Å; L391-S400 WeakPolarHBondContact CA-O 3.41Å; L391-P401 HydrophobicContact CD2-CB 4.46Å |
| 392 | Y | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 139 | 176.4 | 178.4 | -113.1 | 0 | 0 | 0 | 109.7 | L25 N34 L36 L64 Y66 I394 S400 V402 I414 | L25-Y392 HydrophobicContact CD2-CD2 3.81Å; L25-Y392 HydrophobicContact CD2-CG 4.26Å; N34-Y392 WeakPolarHBondContact O-CD2 3.37Å; L36-Y392 HydrophobicContact CB-CD2 3.97Å; L36-Y392 HydrophobicContact CB-CE2 3.68Å; L64-Y392 WeakPolarHBondContact O-CE2 3.5Å; L64-Y392 PolarHBondContact O-OH 3.02Å; L64-Y392 VanDerWaalsContact O-OH 3.09Å; Y66-Y392 PolarHBondContact N-OH 2.79Å; Y66-Y392 WeakPolarHBondContact O-CE1 3.47Å; Y66-Y392 PolarHBondContact O-OH 2.86Å; Y66-Y392 VanDerWaalsContact O-OH 3.08Å; Y392-I394 HydrophobicContact CD1-CD1 3.55Å; Y392-I394 HydrophobicContact CD1-CG1 3.98Å; Y392-I394 HydrophobicContact CE1-CD1 3.73Å; Y392-I394 HydrophobicContact CE1-CG1 4.41Å; Y392-I394 PolarHBondContact O-N 3.01Å; Y392-S400 PolarHBondContact N-O 2.79Å; Y392-S400 PolarHBondContact O-N 2.81Å; Y392-V402 VanDerWaalsContact CB-CG2 3.4Å; Y392-V402 HydrophobicContact CD1-CG1 4.45Å; Y392-V402 HydrophobicContact CG-CG2 4.39Å; Y392-I414 HydrophobicContact CD1-CD1 4.24Å; Y392-I414 HydrophobicContact CD1-CG2 4.09Å; Y392-I414 HydrophobicContact CE1-CD1 3.77Å; Y392-I414 HydrophobicContact CE1-CG2 4.45Å |
| 393 | A | 97.6 | Very high | 96.3 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.008 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 100.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | D33 N34 Y66 E395 | D33-A393 HydrophobicContact CB-CB 3.38Å; N34-A393 PolarHBondContact O-N 2.83Å; Y66-A393 WeakPolarHBondContact CA-O 3.47Å; Y66-A393 HydrophobicContact CD1-CB 4.26Å; Y66-A393 WeakPolarHBondContact CD1-O 3.44Å; Y66-A393 HydrophobicContact CE1-CB 4.09Å; Y66-A393 PolarHBondContact N-O 2.9Å; A393-E395 VanDerWaalsContact C-N 3.3Å |
| 394 | I | 95.8 | Very high | 96.5 | Very high | 6 Ų | 6 | 27.9 Ų | 27.9 | 3% | 0.031 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | -29 | 172.2 | -62.6 | -76.1 | 0 | 0 | 0 | 110.8 | V10 Y66 R67 Y392 V402 I414 Y416 | V10-I394 HydrophobicContact CG2-CD1 4.08Å; Y66-I394 WeakPolarHBondContact CA-O 3.28Å; Y66-I394 WeakPolarHBondContact CB-O 3.41Å; R67-I394 HydrophobicContact CG-CG2 4.42Å; Y392-I394 HydrophobicContact CD1-CD1 3.55Å; Y392-I394 HydrophobicContact CD1-CG1 3.98Å; Y392-I394 HydrophobicContact CE1-CD1 3.73Å; Y392-I394 HydrophobicContact CE1-CG1 4.41Å; Y392-I394 PolarHBondContact O-N 3.01Å; I394-V402 HydrophobicContact CD1-CG1 4.37Å; I394-V402 HydrophobicContact CG1-CG1 4.34Å; I394-I414 HydrophobicContact CD1-CG2 3.84Å; I394-Y416 HydrophobicContact CD1-CD1 3.79Å; I394-Y416 HydrophobicContact CD1-CE1 4.46Å; I394-Y416 HydrophobicContact CD1-CG 3.84Å; I394-Y416 HydrophobicContact CG1-CD1 4.26Å; I394-Y416 HydrophobicContact CG1-CD2 4.11Å; I394-Y416 HydrophobicContact CG1-CG 3.81Å; I394-Y416 HydrophobicContact CG2-CD2 4.18Å; I394-Y416 HydrophobicContact CG2-CE1 4.4Å; I394-Y416 HydrophobicContact CG2-CE2 4.1Å; I394-Y416 HydrophobicContact CG2-CG 4.41Å |
| 395 | E | 95.4 | Very high | 96.6 | Very high | 77 Ų | 77 | 27.9 Ų | 27.9 | 36% | 0.36 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 153.5 | -178.9 | -77.5 | 160.6 | -162.8 | 0 | 0 | 109.1 | Y66 R67 A393 G397 R398 | Y66-E395 VanDerWaalsContact CD1-C 3.49Å; Y66-E395 VanDerWaalsContact CE1-C 3.47Å; R67-E395 IonicContact NH2-OE1 3.95Å; R67-E395 PolarHBondContact NH2-OE1 2.92Å; A393-E395 VanDerWaalsContact C-N 3.3Å; E395-G397 PolarHBondContact O-N 2.81Å; E395-R398 HydrophobicContact CB-CB 4.48Å; E395-R398 PolarHBondContact O-N 3.43Å; E395-R398 VanDerWaalsContact O-N 3.14Å; E395-R398 IonicContact OE2-NH1 3.76Å |
| 396 | P | 96.7 | Very high | 96.7 | Very high | 94 Ų | 94 | 26.8 Ų | 26.8 | 61% | 0.61 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | 132.7 | 179.4 | -25.1 | 32.2 | 0 | 0 | 0 | 113.6 | D33 Y66 R398 | D33-P396 VanDerWaalsContact OD2-CA 3.27Å; D33-P396 WeakPolarHBondContact OD2-CA 3.29Å; Y66-P396 HydrophobicContact CD1-CG 4.43Å; Y66-P396 HydrophobicContact CD2-CG 4.45Å; Y66-P396 VanDerWaalsContact CE1-CA 3.45Å; Y66-P396 HydrophobicContact CE1-CB 4.16Å; Y66-P396 HydrophobicContact CE1-CG 3.91Å; Y66-P396 VanDerWaalsContact CE1-N 3.31Å; Y66-P396 HydrophobicContact CE2-CG 3.92Å; P396-R398 PolarHBondContact O-N 3.43Å |
| 397 | G | 95.8 | Very high | 96.6 | Very high | 73 Ų | 73 | 26.9 Ų | 26.9 | 75% | 0.753 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69.6 | 15.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | D33 E395 | D33-G397 VanDerWaalsContact CG-N 3.29Å; D33-G397 WeakPolarHBondContact OD1-CA 3.12Å; D33-G397 PolarHBondContact OD1-N 2.68Å; D33-G397 PolarHBondContact OD2-N 3.18Å; E395-G397 PolarHBondContact O-N 2.81Å |
| 398 | R | 93.9 | Very high | 96.3 | Very high | 113 Ų | 113 | 31.8 Ų | 31.8 | 43% | 0.426 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 77.6 | -172.4 | -165.3 | -172.2 | 166.6 | -165.8 | -6.5 | 113 | D33 E395 P396 S400 N417 | D33-R398 PolarHBondContact OD1-N 3.02Å; E395-R398 HydrophobicContact CB-CB 4.48Å; E395-R398 PolarHBondContact O-N 3.43Å; E395-R398 VanDerWaalsContact O-N 3.14Å; E395-R398 IonicContact OE2-NH1 3.76Å; P396-R398 PolarHBondContact O-N 3.43Å; R398-S400 PolarHBondContact NE-OG 3.1Å; R398-S400 PolarHBondContact O-N 2.81Å; R398-N417 PolarHBondContact NH2-OD1 2.94Å |
| 399 | N | 95.2 | Very high | 95.9 | Very high | 56 Ų | 56 | 35.6 Ų | 35.6 | 30% | 0.299 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 118.2 | 161.9 | -71.5 | -53.9 | 0 | 0 | 0 | 111.3 | G32 N34 L391 | G32-N399 PolarHBondContact O-ND2 3.44Å; N34-N399 WeakPolarHBondContact CB-OD1 3.21Å; N34-N399 PolarHBondContact N-OD1 2.98Å; N34-N399 VanDerWaalsContact ND2-CG 3.26Å; N34-N399 PolarHBondContact ND2-OD1 3.02Å; L391-N399 HydrophobicContact CB-CB 4.3Å |
| 400 | S | 94 | Very high | 95.6 | Very high | 11 Ų | 11 | 40 Ų | 40 | 8% | 0.077 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 151.2 | 177 | -60.3 | 0 | 0 | 0 | 0 | 110.4 | L391 Y392 R398 V402 | L391-S400 WeakPolarHBondContact CA-O 3.41Å; Y392-S400 PolarHBondContact N-O 2.79Å; Y392-S400 PolarHBondContact O-N 2.81Å; R398-S400 PolarHBondContact NE-OG 3.1Å; R398-S400 PolarHBondContact O-N 2.81Å; S400-V402 PolarHBondContact O-N 3.36Å |
| 401 | P | 95 | Very high | 95.4 | Very high | 26 Ų | 26 | 40.3 Ų | 40.3 | 17% | 0.169 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 131.9 | 172.6 | 25.3 | -33 | 0 | 0 | 0 | 110.6 | M347 K348 L349 G390 L391 L418 | M347-P401 HydrophobicContact CE-CB 4.14Å; M347-P401 HydrophobicContact CG-CB 3.99Å; M347-P401 HydrophobicContact SD-CB 3.49Å; M347-P401 WeakPolarHBondContact SD-CB 3.4Å; K348-P401 WeakPolarHBondContact O-CB 3.4Å; L349-P401 HydrophobicContact CD1-CB 3.99Å; L349-P401 HydrophobicContact CD1-CG 4.03Å; G390-P401 WeakPolarHBondContact O-CA 3.27Å; L391-P401 HydrophobicContact CD2-CB 4.46Å; P401-L418 HydrophobicContact CB-CD1 4.25Å; P401-L418 WeakPolarHBondContact O-CD1 3.5Å; P401-L418 WeakPolarHBondContact O-CG 3.07Å |
| 402 | V | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 151.9 | -179.7 | -62.1 | 0 | 0 | 0 | 0 | 112.8 | M347 A389 G390 Y392 I394 S400 I404 I414 Y415 | M347-V402 PolarHBondContact SD-N 3.21Å; M347-V402 VanDerWaalsContact SD-N 3.42Å; A389-V402 WeakPolarHBondContact CA-O 3.47Å; G390-V402 PolarHBondContact N-O 2.76Å; G390-V402 WeakPolarHBondContact O-CG2 3.18Å; G390-V402 PolarHBondContact O-N 3.32Å; Y392-V402 VanDerWaalsContact CB-CG2 3.4Å; Y392-V402 HydrophobicContact CD1-CG1 4.45Å; Y392-V402 HydrophobicContact CG-CG2 4.39Å; I394-V402 HydrophobicContact CD1-CG1 4.37Å; I394-V402 HydrophobicContact CG1-CG1 4.34Å; S400-V402 PolarHBondContact O-N 3.36Å; V402-I404 HydrophobicContact CB-CG1 4.34Å; V402-I404 HydrophobicContact CG2-CD1 3.71Å; V402-I404 HydrophobicContact CG2-CG1 3.73Å; V402-I414 HydrophobicContact CB-CG2 3.95Å; V402-I414 HydrophobicContact CG1-CG2 3.94Å; V402-I414 HydrophobicContact CG2-CG2 4.37Å; V402-Y415 CarbonylContact C-O 3.56Å; V402-Y415 WeakPolarHBondContact CA-O 3.24Å; V402-Y415 VanDerWaalsContact CB-O 3.31Å; V402-Y415 WeakPolarHBondContact CB-O 3.37Å |
| 403 | L | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 121.6 | 167 | -54.1 | 177.8 | 0 | 0 | 0 | 108.2 | M347 V358 T366 I368 F378 F387 A389 Y405 Y415 L418 | M347-L403 HydrophobicContact CE-CD2 3.76Å; V358-L403 HydrophobicContact CG1-CD2 4.22Å; T366-L403 HydrophobicContact CG2-CD1 4.45Å; T366-L403 HydrophobicContact CG2-CD2 4.48Å; I368-L403 HydrophobicContact CD1-CD2 4.28Å; F378-L403 HydrophobicContact CB-CD1 4.04Å; F378-L403 HydrophobicContact CD1-CD1 3.81Å; F378-L403 HydrophobicContact CE1-CD1 4.41Å; F378-L403 HydrophobicContact CG-CD1 3.88Å; F387-L403 HydrophobicContact CE2-CB 4.19Å; F387-L403 HydrophobicContact CE2-CD2 4.49Å; F387-L403 HydrophobicContact CZ-CD2 4.1Å; A389-L403 HydrophobicContact CB-CD2 3.87Å; L403-Y405 HydrophobicContact CB-CD2 4.5Å; L403-Y405 HydrophobicContact CB-CE2 3.53Å; L403-Y405 WeakPolarHBondContact CD1-OH 3.24Å; L403-Y415 PolarHBondContact N-O 2.98Å; L403-Y415 PolarHBondContact O-N 3.24Å; L403-L418 HydrophobicContact CD1-CD1 4.42Å; L403-L418 HydrophobicContact CD1-CD2 4.48Å; L403-L418 HydrophobicContact CD2-CD1 4.23Å; L403-L418 HydrophobicContact CG-CD1 3.78Å; L403-L418 HydrophobicContact CG-CD2 4.42Å |
| 404 | I | 98.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 122 | -172.9 | -51.5 | -179.9 | 0 | 0 | 0 | 109 | L25 L36 F387 I388 V402 T412 L413 I414 | L25-I404 HydrophobicContact CD1-CD1 4.23Å; L25-I404 HydrophobicContact CD2-CD1 3.9Å; L25-I404 HydrophobicContact CG-CD1 4.4Å; L36-I404 HydrophobicContact CD1-CD1 3.89Å; L36-I404 HydrophobicContact CD2-CD1 3.89Å; L36-I404 HydrophobicContact CD2-CG2 3.9Å; L36-I404 HydrophobicContact CG-CD1 4.37Å; F387-I404 VanDerWaalsContact CA-O 3.32Å; F387-I404 WeakPolarHBondContact CA-O 3.47Å; F387-I404 VanDerWaalsContact CD2-O 3.23Å; F387-I404 WeakPolarHBondContact CD2-O 3.11Å; I388-I404 HydrophobicContact CG2-CB 3.74Å; I388-I404 HydrophobicContact CG2-CD1 3.91Å; I388-I404 HydrophobicContact CG2-CG1 4.21Å; I388-I404 HydrophobicContact CG2-CG2 4.23Å; I388-I404 PolarHBondContact N-O 3.15Å; I388-I404 WeakPolarHBondContact O-CA 3.47Å; I388-I404 WeakPolarHBondContact O-CB 3.44Å; I388-I404 PolarHBondContact O-N 3.21Å; V402-I404 HydrophobicContact CB-CG1 4.34Å; V402-I404 HydrophobicContact CG2-CD1 3.71Å; V402-I404 HydrophobicContact CG2-CG1 3.73Å; I404-T412 HydrophobicContact CG2-CG2 3.79Å; I404-L413 CarbonylContact C-O 3.6Å; I404-L413 VanDerWaalsContact CA-O 3.3Å; I404-L413 WeakPolarHBondContact CA-O 3.2Å; I404-I414 HydrophobicContact CG1-CG1 4.24Å; I404-I414 HydrophobicContact CG1-CG2 4.18Å; I404-I414 HydrophobicContact CG2-CG1 4.15Å |
| 405 | Y | 98.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 133 | -177.2 | -54.8 | -96.6 | 0 | 0 | 0 | 109.9 | T366 F378 L380 C384 F387 L403 T412 L413 Y415 | T366-Y405 WeakPolarHBondContact CB-OH 3.36Å; T366-Y405 VanDerWaalsContact OG1-CE1 3.31Å; T366-Y405 WeakPolarHBondContact OG1-CE1 3.26Å; T366-Y405 PolarHBondContact OG1-OH 3.49Å; F378-Y405 WeakPolarHBondContact CD1-OH 3.49Å; F378-Y405 HydrophobicContact CE1-CE2 4.25Å; L380-Y405 HydrophobicContact CB-CE1 4.28Å; L380-Y405 HydrophobicContact CD1-CD1 4.5Å; L380-Y405 HydrophobicContact CD1-CD2 3.98Å; L380-Y405 HydrophobicContact CD1-CE2 4.14Å; L380-Y405 HydrophobicContact CD1-CG 4.17Å; L380-Y405 HydrophobicContact CD2-CD1 3.63Å; L380-Y405 HydrophobicContact CD2-CD2 4.41Å; L380-Y405 HydrophobicContact CD2-CE1 4.17Å; L380-Y405 HydrophobicContact CD2-CG 3.76Å; L380-Y405 HydrophobicContact CG-CD1 4.43Å; C384-Y405 HydrophobicContact CB-CD1 4.43Å; F387-Y405 AromaticContact CD2-CD1 3.51Å; F387-Y405 HydrophobicContact CD2-CD1 3.51Å; F387-Y405 AromaticContact CD2-CE1 3.44Å; F387-Y405 HydrophobicContact CD2-CE1 3.44Å; F387-Y405 VanDerWaalsContact CD2-CE1 3.44Å; F387-Y405 HydrophobicContact CD2-CG 4.12Å; F387-Y405 AromaticContact CD2-CZ 3.98Å; F387-Y405 HydrophobicContact CE2-CD1 4Å; F387-Y405 AromaticContact CE2-CE1 3.48Å; F387-Y405 HydrophobicContact CE2-CE1 3.48Å; F387-Y405 VanDerWaalsContact CE2-CE1 3.48Å; F387-Y405 HydrophobicContact CE2-CE2 4.18Å; F387-Y405 AromaticContact CE2-CZ 3.57Å; L403-Y405 HydrophobicContact CB-CD2 4.5Å; L403-Y405 HydrophobicContact CB-CE2 3.53Å; L403-Y405 WeakPolarHBondContact CD1-OH 3.24Å; Y405-T412 CarbonylContact O-C 3.56Å; Y405-T412 WeakPolarHBondContact O-CA 3.12Å; Y405-L413 PolarHBondContact N-O 2.81Å; Y405-L413 PolarHBondContact O-N 3.48Å; Y405-Y415 AromaticContact CD2-CD2 3.8Å; Y405-Y415 HydrophobicContact CD2-CD2 3.8Å; Y405-Y415 HydrophobicContact CD2-CE2 4.11Å; Y405-Y415 AromaticContact CE2-CD2 3.71Å; Y405-Y415 HydrophobicContact CE2-CD2 3.71Å; Y405-Y415 HydrophobicContact CE2-CE2 4.21Å |
| 406 | S | 97.4 | Very high | 95.5 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.007 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 116.9 | 163.6 | -150.6 | 0 | 0 | 0 | 0 | 109.6 | Y16 T17 C384 Q385 A386 N411 | Y16-S406 VanDerWaalsContact CA-OG 3.26Å; Y16-S406 WeakPolarHBondContact CA-OG 3.19Å; Y16-S406 VanDerWaalsContact CB-OG 3.28Å; Y16-S406 WeakPolarHBondContact CB-OG 3.36Å; T17-S406 PolarHBondContact N-OG 3.19Å; T17-S406 WeakPolarHBondContact O-CB 3.37Å; T17-S406 PolarHBondContact O-OG 3.14Å; T17-S406 VanDerWaalsContact O-OG 3.12Å; C384-S406 CarbonylContact C-O 3.57Å; C384-S406 WeakPolarHBondContact CA-O 3.47Å; C384-S406 VanDerWaalsContact CB-O 3.3Å; C384-S406 WeakPolarHBondContact CB-O 3.48Å; Q385-S406 WeakPolarHBondContact CG-O 3.42Å; Q385-S406 PolarHBondContact N-O 3.1Å; A386-S406 PolarHBondContact N-O 2.84Å; A386-S406 PolarHBondContact O-N 2.9Å; S406-N411 WeakPolarHBondContact CA-O 3.48Å |
| 407 | T | 95 | Very high | 95.2 | Very high | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.012 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 155.2 | -174.5 | 66.3 | 0 | 0 | 0 | 0 | 111.6 | D409 R410 N411 L413 | T407-D409 PolarHBondContact O-N 2.87Å; T407-D409 VanDerWaalsContact O-N 3.17Å; T407-R410 PolarHBondContact O-N 3.38Å; T407-N411 PolarHBondContact N-O 2.8Å; T407-N411 PolarHBondContact OG1-N 2.93Å; T407-N411 PolarHBondContact OG1-O 2.98Å; T407-L413 HydrophobicContact CG2-CD1 3.6Å; T407-L413 HydrophobicContact CG2-CG 4.27Å |
| 408 | F | 91.9 | Very high | 94.9 | Very high | 105 Ų | 105 | 29.5 Ų | 29.5 | 46% | 0.461 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -23 | 170.4 | -71.9 | -80.2 | 0 | 0 | 0 | 113.7 | W362 C384 Q385 R410 | W362-F408 HydrophobicContact CE3-CE2 4.02Å; W362-F408 AromaticContact CE3-CZ 3.66Å; W362-F408 HydrophobicContact CE3-CZ 3.66Å; W362-F408 HydrophobicContact CZ3-CE1 4.41Å; W362-F408 HydrophobicContact CZ3-CE2 4.29Å; W362-F408 AromaticContact CZ3-CZ 3.59Å; W362-F408 HydrophobicContact CZ3-CZ 3.59Å; C384-F408 WeakPolarHBondContact O-CE2 2.98Å; Q385-F408 HydrophobicContact CB-CD1 4.34Å; Q385-F408 HydrophobicContact CB-CE1 3.92Å; Q385-F408 HydrophobicContact CB-CE2 4.2Å; Q385-F408 HydrophobicContact CB-CZ 3.86Å; F408-R410 PolarHBondContact O-N 3.36Å |
| 409 | D | 90.7 | Very high | 94.1 | Very high | 104 Ų | 104 | 29 Ų | 29 | 56% | 0.556 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | 15.6 | 173 | -58.6 | -31.9 | 0 | 0 | 0 | 113.4 | R382 T407 N411 | R382-D409 IonicContact NH1-OD2 2.7Å; T407-D409 PolarHBondContact O-N 2.87Å; T407-D409 VanDerWaalsContact O-N 3.17Å; D409-N411 WeakPolarHBondContact CB-ND2 3.1Å; D409-N411 PolarHBondContact O-N 2.75Å; D409-N411 PolarHBondContact O-ND2 3.05Å |
| 410 | R | 90.2 | Very high | 93.5 | Very high | 97 Ų | 97 | 27 Ų | 27 | 37% | 0.366 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | 41.1 | 178.3 | -55.3 | -178.2 | 174.4 | -144.5 | -16.4 | 114.3 | D14 Y16 D42 T407 F408 | D14-R410 CarbonylContact C-O 3.5Å; D14-R410 WeakPolarHBondContact CA-O 3.09Å; D14-R410 PolarHBondContact N-O 3.02Å; Y16-R410 HydrophobicContact CD1-CB 3.55Å; Y16-R410 HydrophobicContact CD1-CG 4.13Å; Y16-R410 HydrophobicContact CD2-CB 4.36Å; Y16-R410 HydrophobicContact CD2-CG 4.38Å; Y16-R410 HydrophobicContact CE1-CB 3.58Å; Y16-R410 HydrophobicContact CE1-CG 3.71Å; Y16-R410 HydrophobicContact CE2-CB 4.36Å; Y16-R410 HydrophobicContact CE2-CG 3.96Å; Y16-R410 HydrophobicContact CG-CB 3.95Å; Y16-R410 HydrophobicContact CG-CG 4.44Å; Y16-R410 PolarHBondContact OH-NE 2.88Å; D42-R410 IonicContact OD1-CZ 2.92Å; D42-R410 IonicContact OD1-NH2 2.86Å; D42-R410 PolarHBondContact OD1-NH2 2.93Å; D42-R410 VanDerWaalsContact OD1-NH2 3.1Å; D42-R410 IonicContact OD2-CZ 2.78Å; D42-R410 IonicContact OD2-NE 2.68Å; D42-R410 IonicContact OD2-NH1 3.23Å; D42-R410 PolarHBondContact OD2-NH1 3.11Å; D42-R410 IonicContact OD2-NH2 2.61Å; D42-R410 PolarHBondContact OD2-NH2 3.47Å; T407-R410 PolarHBondContact O-N 3.38Å; F408-R410 PolarHBondContact O-N 3.36Å |
| 411 | N | 94 | Very high | 92.8 | Very high | 15 Ų | 15 | 32 Ų | 32 | 8% | 0.08 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 154.2 | 179.7 | -51.8 | -62.8 | 0 | 0 | 0 | 111.9 | F11 F12 K13 D14 I15 S406 T407 D409 | F11-N411 HydrophobicContact CD2-CB 4.15Å; F11-N411 HydrophobicContact CE2-CB 3.35Å; F11-N411 HydrophobicContact CZ-CB 3.89Å; F11-N411 VanDerWaalsContact CZ-CG 3.4Å; F11-N411 VanDerWaalsContact CZ-OD1 3.3Å; F11-N411 WeakPolarHBondContact CZ-OD1 3.16Å; F12-N411 WeakPolarHBondContact O-CA 3.01Å; K13-N411 WeakPolarHBondContact CA-OD1 3.45Å; D14-N411 PolarHBondContact N-OD1 3.42Å; I15-N411 CarbonylContact O-C 3.53Å; S406-N411 WeakPolarHBondContact CA-O 3.48Å; T407-N411 PolarHBondContact N-O 2.8Å; T407-N411 PolarHBondContact OG1-N 2.93Å; T407-N411 PolarHBondContact OG1-O 2.98Å; D409-N411 WeakPolarHBondContact CB-ND2 3.1Å; D409-N411 PolarHBondContact O-N 2.75Å; D409-N411 PolarHBondContact O-ND2 3.05Å |
| 412 | T | 97.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 127.4 | 169.2 | -62.8 | 0 | 0 | 0 | 0 | 110 | F12 I15 L36 I38 I404 Y405 I414 | F12-T412 PolarHBondContact N-O 2.93Å; F12-T412 PolarHBondContact O-N 3.41Å; I15-T412 VanDerWaalsContact O-CB 3.31Å; I15-T412 WeakPolarHBondContact O-CB 3.48Å; I15-T412 PolarHBondContact O-N 3.1Å; I15-T412 PolarHBondContact O-OG1 3.35Å; L36-T412 HydrophobicContact CD2-CG2 4.41Å; I38-T412 HydrophobicContact CD1-CG2 4.12Å; I404-T412 HydrophobicContact CG2-CG2 3.79Å; Y405-T412 CarbonylContact O-C 3.56Å; Y405-T412 WeakPolarHBondContact O-CA 3.12Å; T412-I414 HydrophobicContact CG2-CG1 4.33Å |
| 413 | L | 97.3 | Very high | 91.4 | Very high | 4 Ų | 4 | 32.3 Ų | 32.3 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 120.8 | 178 | -69.5 | 167.9 | 0 | 0 | 0 | 109.1 | F11 L380 I404 Y405 T407 Y415 | F11-L413 HydrophobicContact CB-CD2 4.36Å; F11-L413 HydrophobicContact CD2-CD2 3.58Å; F11-L413 HydrophobicContact CD2-CG 4.41Å; F11-L413 HydrophobicContact CE2-CD2 4.41Å; F11-L413 HydrophobicContact CG-CD2 4.45Å; L380-L413 HydrophobicContact CD1-CD1 4.1Å; I404-L413 CarbonylContact C-O 3.6Å; I404-L413 VanDerWaalsContact CA-O 3.3Å; I404-L413 WeakPolarHBondContact CA-O 3.2Å; Y405-L413 PolarHBondContact N-O 2.81Å; Y405-L413 PolarHBondContact O-N 3.48Å; T407-L413 HydrophobicContact CG2-CD1 3.6Å; T407-L413 HydrophobicContact CG2-CG 4.27Å; L413-Y415 HydrophobicContact CB-CD2 4.33Å; L413-Y415 HydrophobicContact CB-CE2 3.9Å; L413-Y415 HydrophobicContact CD1-CE2 4.29Å |
| 414 | I | 97.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 108.2 | 174.5 | -54.5 | -177.1 | 0 | 0 | 0 | 108 | R9 V10 F12 L36 Y392 I394 V402 I404 T412 | R9-I414 CarbonylContact C-O 3.59Å; R9-I414 WeakPolarHBondContact CA-O 3.34Å; V10-I414 HydrophobicContact CB-CB 4.32Å; V10-I414 PolarHBondContact N-O 3.45Å; V10-I414 PolarHBondContact O-N 2.83Å; F12-I414 HydrophobicContact CD2-CD1 4.26Å; F12-I414 HydrophobicContact CE2-CD1 3.72Å; F12-I414 HydrophobicContact CE2-CG1 4.38Å; L36-I414 HydrophobicContact CD2-CD1 3.93Å; Y392-I414 HydrophobicContact CD1-CD1 4.24Å; Y392-I414 HydrophobicContact CD1-CG2 4.09Å; Y392-I414 HydrophobicContact CE1-CD1 3.77Å; Y392-I414 HydrophobicContact CE1-CG2 4.45Å; I394-I414 HydrophobicContact CD1-CG2 3.84Å; V402-I414 HydrophobicContact CB-CG2 3.95Å; V402-I414 HydrophobicContact CG1-CG2 3.94Å; V402-I414 HydrophobicContact CG2-CG2 4.37Å; I404-I414 HydrophobicContact CG1-CG1 4.24Å; I404-I414 HydrophobicContact CG1-CG2 4.18Å; I404-I414 HydrophobicContact CG2-CG1 4.15Å; T412-I414 HydrophobicContact CG2-CG1 4.33Å |
| 415 | Y | 96.8 | Very high | 89.3 | Confident | 22 Ų | 22 | 38.2 Ų | 38.2 | 9% | 0.086 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 130.1 | 172.8 | -73.7 | -93 | 0 | 0 | 0 | 110.2 | V7 D8 R9 F378 L380 V402 L403 Y405 L413 | V7-Y415 HydrophobicContact CB-CD1 4.38Å; V7-Y415 HydrophobicContact CG2-CD1 3.54Å; V7-Y415 HydrophobicContact CG2-CE1 4.1Å; D8-Y415 CarbonylContact O-C 3.56Å; D8-Y415 VanDerWaalsContact O-CA 3.3Å; D8-Y415 WeakPolarHBondContact O-CA 3.22Å; R9-Y415 HydrophobicContact CB-CD1 3.91Å; R9-Y415 HydrophobicContact CB-CE1 3.94Å; R9-Y415 HydrophobicContact CB-CG 4.35Å; F378-Y415 HydrophobicContact CE1-CD1 4.31Å; F378-Y415 HydrophobicContact CE1-CD2 4.33Å; F378-Y415 HydrophobicContact CE1-CE1 4.41Å; F378-Y415 HydrophobicContact CE1-CE2 4.47Å; F378-Y415 HydrophobicContact CE1-CG 4.23Å; F378-Y415 AromaticContact CZ-CD1 3.67Å; F378-Y415 HydrophobicContact CZ-CD1 3.67Å; F378-Y415 HydrophobicContact CZ-CD2 4.48Å; F378-Y415 AromaticContact CZ-CE1 3.79Å; F378-Y415 HydrophobicContact CZ-CE1 3.79Å; F378-Y415 AromaticContact CZ-CG 4Å; F378-Y415 HydrophobicContact CZ-CG 4Å; L380-Y415 HydrophobicContact CD1-CD2 4.28Å; L380-Y415 HydrophobicContact CD1-CE2 3.33Å; V402-Y415 CarbonylContact C-O 3.56Å; V402-Y415 WeakPolarHBondContact CA-O 3.24Å; V402-Y415 VanDerWaalsContact CB-O 3.31Å; V402-Y415 WeakPolarHBondContact CB-O 3.37Å; L403-Y415 PolarHBondContact N-O 2.98Å; L403-Y415 PolarHBondContact O-N 3.24Å; Y405-Y415 AromaticContact CD2-CD2 3.8Å; Y405-Y415 HydrophobicContact CD2-CD2 3.8Å; Y405-Y415 HydrophobicContact CD2-CE2 4.11Å; Y405-Y415 AromaticContact CE2-CD2 3.71Å; Y405-Y415 HydrophobicContact CE2-CD2 3.71Å; Y405-Y415 HydrophobicContact CE2-CE2 4.21Å; L413-Y415 HydrophobicContact CB-CD2 4.33Å; L413-Y415 HydrophobicContact CB-CE2 3.9Å; L413-Y415 HydrophobicContact CD1-CE2 4.29Å |
| 416 | Y | 94.9 | Very high | 88.1 | Confident | 18 Ų | 18 | 43.2 Ų | 43.2 | 7% | 0.071 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | -178.1 | -175.9 | 70.7 | -84.7 | 0 | 0 | 0 | 111 | D8 V10 R67 I394 L418 | D8-Y416 HydrophobicContact CB-CD1 3.93Å; D8-Y416 HydrophobicContact CB-CD2 4.07Å; D8-Y416 HydrophobicContact CB-CE1 3.4Å; D8-Y416 HydrophobicContact CB-CE2 3.54Å; D8-Y416 HydrophobicContact CB-CG 4.23Å; D8-Y416 WeakPolarHBondContact CB-OH 3.29Å; D8-Y416 PolarHBondContact N-O 3.12Å; D8-Y416 VanDerWaalsContact N-O 3.08Å; D8-Y416 PolarHBondContact O-N 3.32Å; V10-Y416 HydrophobicContact CG2-CD1 4.1Å; V10-Y416 HydrophobicContact CG2-CE1 3.7Å; R67-Y416 PolarHBondContact NH1-OH 3.18Å; R67-Y416 VanDerWaalsContact NH1-OH 3.13Å; R67-Y416 PolarHBondContact NH2-OH 3.07Å; I394-Y416 HydrophobicContact CD1-CD1 3.79Å; I394-Y416 HydrophobicContact CD1-CE1 4.46Å; I394-Y416 HydrophobicContact CD1-CG 3.84Å; I394-Y416 HydrophobicContact CG1-CD1 4.26Å; I394-Y416 HydrophobicContact CG1-CD2 4.11Å; I394-Y416 HydrophobicContact CG1-CG 3.81Å; I394-Y416 HydrophobicContact CG2-CD2 4.18Å; I394-Y416 HydrophobicContact CG2-CE1 4.4Å; I394-Y416 HydrophobicContact CG2-CE2 4.1Å; I394-Y416 HydrophobicContact CG2-CG 4.41Å; Y416-L418 VanDerWaalsContact C-N 3.28Å; Y416-L418 PolarHBondContact O-N 2.92Å |
| 417 | N | 90.5 | Very high | 87.3 | Confident | 39 Ų | 39 | 45.4 Ų | 45.4 | 21% | 0.209 | 24% | 0.241 | C | C | . | . | trans | 56.1 | 44.5 | -170.9 | -75.5 | -21.7 | 0 | 0 | 0 | 111.6 | D8 R398 C419 | D8-N417 PolarHBondContact OD2-ND2 2.8Å; R398-N417 PolarHBondContact NH2-OD1 2.94Å; N417-C419 PolarHBondContact O-N 3.13Å | ||
| 418 | L | 89.4 | Confident | 86.7 | Confident | 7 Ų | 7 | 49.1 Ų | 49.1 | 4% | 0.037 | 26% | 0.26 | C | S | . | . | trans | -72.4 | 72.9 | 175.3 | -46.1 | 177.8 | 0 | 0 | 0 | 109.4 | L4 V7 M347 L349 P401 L403 Y416 L420 | L4-L418 HydrophobicContact CD2-CB 4.22Å; L4-L418 HydrophobicContact CD2-CD2 3.74Å; V7-L418 HydrophobicContact CB-CD2 4.26Å; V7-L418 HydrophobicContact CG1-CD2 3.55Å; M347-L418 HydrophobicContact CE-CD1 3.92Å; L349-L418 HydrophobicContact CD1-CB 3.47Å; L349-L418 VanDerWaalsContact CD1-CB 3.47Å; L349-L418 HydrophobicContact CD1-CD1 3.93Å; L349-L418 HydrophobicContact CD1-CG 4.36Å; P401-L418 HydrophobicContact CB-CD1 4.25Å; P401-L418 WeakPolarHBondContact O-CD1 3.5Å; P401-L418 WeakPolarHBondContact O-CG 3.07Å; L403-L418 HydrophobicContact CD1-CD1 4.42Å; L403-L418 HydrophobicContact CD1-CD2 4.48Å; L403-L418 HydrophobicContact CD2-CD1 4.23Å; L403-L418 HydrophobicContact CG-CD1 3.78Å; L403-L418 HydrophobicContact CG-CD2 4.42Å; Y416-L418 VanDerWaalsContact C-N 3.28Å; Y416-L418 PolarHBondContact O-N 2.92Å; L418-L420 PolarHBondContact O-N 3.28Å | ||
| 419 | C | 78.6 | Confident | 86.3 | Confident | 103 Ų | 103 | 46.4 Ų | 46.4 | 70% | 0.696 | 25% | 0.249 | S | C | * | . | trans | -74.2 | 93.9 | -172.8 | -68.5 | 0 | 0 | 0 | 0 | 111.6 | N417 | N417-C419 PolarHBondContact O-N 3.13Š| ||
| 420 | L | 81.6 | Confident | 86 | Confident | 12 Ų | 12 | 45.3 Ų | 45.3 | 6% | 0.063 | 24% | 0.243 | C | C | . | . | trans | -135 | 124.5 | 178.7 | -69.8 | 167.9 | 0 | 0 | 0 | 111.2 | R2 L4 L349 L376 L418 | R2-L420 VanDerWaalsContact CZ-CD2 3.5Å; L4-L420 HydrophobicContact CD1-CD1 4.21Å; L4-L420 HydrophobicContact CD1-CD2 4.22Å; L4-L420 HydrophobicContact CD1-CG 4.16Å; L4-L420 HydrophobicContact CD2-CD1 4.42Å; L349-L420 HydrophobicContact CD1-CD1 4.35Å; L349-L420 HydrophobicContact CD2-CD1 3.79Å; L349-L420 HydrophobicContact CG-CD1 4.19Å; L376-L420 HydrophobicContact CD2-CD1 3.46Å; L376-L420 VanDerWaalsContact CD2-CD1 3.46Å; L376-L420 HydrophobicContact CD2-CD2 4.43Å; L418-L420 PolarHBondContact O-N 3.28Å | ||
| 421 | N | 80.5 | Confident | 85.7 | Confident | 116 Ų | 116 | 44.5 Ų | 44.5 | 62% | 0.62 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -78.9 | -40.7 | 173.7 | -69.2 | -26.3 | 0 | 0 | 0 | 111.7 | ||
| 422 | N | 80.1 | Confident | 85.4 | Confident | 33 Ų | 33 | 44.2 Ų | 44.2 | 18% | 0.176 | 24% | 0.243 | C | C | . | . | trans | -147.2 | 151.2 | 179 | -171.2 | 6.2 | 0 | 0 | 0 | 109.9 | R2 A424 H426 | R2-N422 PolarHBondContact NH1-O 3.28Å; N422-A424 WeakPolarHBondContact ND2-CB 3.18Å; N422-A424 PolarHBondContact OD1-N 3.04Å; N422-A424 VanDerWaalsContact OD1-N 3.12Å; N422-H426 PolarHBondContact ND2-NE2 3.32Å | ||
| 423 | I | 81 | Confident | 85 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -73 | -44.1 | 169.4 | -54.2 | -57.1 | 0 | 0 | 0 | 110.5 | L349 T350 Q356 I368 D370 N374 L376 | L349-I423 HydrophobicContact CD2-CD1 3.94Å; T350-I423 HydrophobicContact CG2-CD1 4.03Å; T350-I423 HydrophobicContact CG2-CG1 4.02Å; Q356-I423 HydrophobicContact CG-CD1 4.04Å; Q356-I423 HydrophobicContact CG-CG1 3.87Å; I368-I423 HydrophobicContact CG2-CD1 4.06Å; D370-I423 HydrophobicContact CB-CB 4.18Å; D370-I423 HydrophobicContact CB-CG1 4.06Å; N374-I423 HydrophobicContact CB-CB 4.5Å; N374-I423 HydrophobicContact CB-CG2 4.04Å; N374-I423 WeakPolarHBondContact O-CG2 3.43Å; L376-I423 HydrophobicContact CD2-CD1 3.46Å; L376-I423 VanDerWaalsContact CD2-CD1 3.46Å; L376-I423 HydrophobicContact CD2-CG2 4.26Å; L376-I423 HydrophobicContact CG-CD1 4.23Å; L376-I423 HydrophobicContact CG-CG2 4.37Å |
| 424 | A | 80.5 | Confident | 84.5 | Confident | 15 Ų | 15 | 53.1 Ų | 53.1 | 12% | 0.124 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -62.8 | 139.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | N374 N422 H426 | N374-A424 HydrophobicContact CB-CB 4.09Å; N422-A424 WeakPolarHBondContact ND2-CB 3.18Å; N422-A424 PolarHBondContact OD1-N 3.04Å; N422-A424 VanDerWaalsContact OD1-N 3.12Å; A424-H426 PolarHBondContact O-N 3.14Å |
| 425 | V | 71.8 | Confident | 84.2 | Confident | 108 Ų | 108 | 56.7 Ų | 56.7 | 66% | 0.655 | 31% | 0.31 | S | S | * | . | trans | -84.4 | 110.7 | 176.2 | -178 | 0 | 0 | 0 | 0 | 108.3 | R2 | R2-V425 HydrophobicContact CB-CG2 4Š| ||
| 426 | H | 73.3 | Confident | 83.8 | Confident | 105 Ų | 105 | 63.3 Ų | 63.3 | 49% | 0.486 | 34% | 0.336 | S | S | . | . | trans | -92.4 | 130.7 | 170.9 | -65.5 | -54.8 | 0 | 0 | 0 | 109.8 | N422 A424 I431 | N422-H426 PolarHBondContact ND2-NE2 3.32Å; A424-H426 PolarHBondContact O-N 3.14Å; H426-I431 HydrophobicContact CB-CD1 3.89Å; H426-I431 HydrophobicContact CB-CG1 3.77Å | ||
| 427 | S | 79.4 | Confident | 83.7 | Confident | 48 Ų | 48 | 64.1 Ų | 64.1 | 34% | 0.336 | 35% | 0.349 | S | S | . | . | trans | -71 | 143.6 | 166.6 | 77.5 | 0 | 0 | 0 | 0 | 108.6 | H429 N430 I431 | S427-H429 PolarHBondContact O-N 2.86Å; S427-H429 VanDerWaalsContact O-N 3.16Å; S427-N430 PolarHBondContact O-N 2.98Å; S427-N430 WeakPolarHBondContact OG-CB 3.35Å; S427-N430 PolarHBondContact OG-N 3.48Å; S427-N430 PolarHBondContact OG-ND2 3.33Å; S427-N430 PolarHBondContact OG-OD1 2.86Å; S427-N430 VanDerWaalsContact OG-OD1 3.11Å; S427-I431 WeakPolarHBondContact O-CG1 3.2Å; S427-I431 PolarHBondContact O-N 2.7Å | ||
| 428 | L | 82.8 | Confident | 83.8 | Confident | 79 Ų | 79 | 64.8 Ų | 64.8 | 41% | 0.414 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -55.8 | -32.6 | 173.7 | 179.2 | 58.9 | 0 | 0 | 0 | 111.4 | I431 I432 I459 L463 | L428-I431 PolarHBondContact O-N 2.87Å; L428-I432 HydrophobicContact CD1-CD1 4.05Å; L428-I432 HydrophobicContact CD1-CG1 4.27Å; L428-I432 HydrophobicContact CG-CD1 3.87Å; L428-I432 WeakPolarHBondContact O-CD1 3.41Å; L428-I432 VanDerWaalsContact O-CG1 3.3Å; L428-I432 WeakPolarHBondContact O-CG1 3.36Å; L428-I432 PolarHBondContact O-N 2.73Å; L428-I459 HydrophobicContact CD2-CD1 4.16Å; L428-I459 HydrophobicContact CD2-CG1 4.38Å; L428-I459 HydrophobicContact CD2-CG2 3.61Å; L428-I459 HydrophobicContact CG-CD1 4.19Å; L428-L463 HydrophobicContact CD2-CD1 4.28Å |
| 429 | H | 84 | Confident | 83.9 | Confident | 48 Ų | 48 | 64.6 Ų | 64.6 | 22% | 0.222 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.1 | -50.3 | 173.4 | -69 | 73.2 | 0 | 0 | 0 | 111.4 | S427 I431 I432 L433 L455 | S427-H429 PolarHBondContact O-N 2.86Å; S427-H429 VanDerWaalsContact O-N 3.16Å; H429-I431 VanDerWaalsContact C-N 3.33Å; H429-I431 PolarHBondContact O-N 2.76Å; H429-I432 PolarHBondContact O-N 3.32Å; H429-L433 WeakPolarHBondContact O-CB 3.27Å; H429-L433 VanDerWaalsContact O-CG 3.3Å; H429-L433 WeakPolarHBondContact O-CG 3.36Å; H429-L433 PolarHBondContact O-N 2.92Å; H429-L455 HydrophobicContact CB-CD2 4.3Å |
| 430 | N | 83.7 | Confident | 84.6 | Confident | 81 Ų | 81 | 64.6 Ų | 64.6 | 43% | 0.433 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.2 | -38.8 | 179.5 | -67.8 | 0.6 | 0 | 0 | 0 | 111.6 | S427 L433 N434 | S427-N430 PolarHBondContact O-N 2.98Å; S427-N430 WeakPolarHBondContact OG-CB 3.35Å; S427-N430 PolarHBondContact OG-N 3.48Å; S427-N430 PolarHBondContact OG-ND2 3.33Å; S427-N430 PolarHBondContact OG-OD1 2.86Å; S427-N430 VanDerWaalsContact OG-OD1 3.11Å; N430-L433 PolarHBondContact O-N 2.92Å; N430-N434 WeakPolarHBondContact O-CB 3.19Å; N430-N434 PolarHBondContact O-N 2.85Å; N430-N434 PolarHBondContact O-ND2 3.32Å |
| 431 | I | 85.4 | Confident | 85.1 | Confident | 81 Ų | 81 | 70.8 Ų | 70.8 | 42% | 0.415 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.1 | -47.4 | 176 | -63.4 | 172.8 | 0 | 0 | 0 | 110.3 | H426 S427 L428 H429 N434 D435 | H426-I431 HydrophobicContact CB-CD1 3.89Å; H426-I431 HydrophobicContact CB-CG1 3.77Å; S427-I431 WeakPolarHBondContact O-CG1 3.2Å; S427-I431 PolarHBondContact O-N 2.7Å; L428-I431 PolarHBondContact O-N 2.87Å; H429-I431 VanDerWaalsContact C-N 3.33Å; H429-I431 PolarHBondContact O-N 2.76Å; I431-N434 PolarHBondContact O-N 3.49Å; I431-D435 PolarHBondContact O-N 2.83Å |
| 432 | I | 87.8 | Confident | 85.7 | Confident | 8 Ų | 8 | 66.4 Ų | 66.4 | 4% | 0.041 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.1 | -44 | 178.9 | -70.8 | 164.1 | 0 | 0 | 0 | 110.8 | L428 H429 N434 D435 L438 V439 F442 L455 I459 | L428-I432 HydrophobicContact CD1-CD1 4.05Å; L428-I432 HydrophobicContact CD1-CG1 4.27Å; L428-I432 HydrophobicContact CG-CD1 3.87Å; L428-I432 WeakPolarHBondContact O-CD1 3.41Å; L428-I432 VanDerWaalsContact O-CG1 3.3Å; L428-I432 WeakPolarHBondContact O-CG1 3.36Å; L428-I432 PolarHBondContact O-N 2.73Å; H429-I432 PolarHBondContact O-N 3.32Å; I432-N434 VanDerWaalsContact C-N 3.29Å; I432-N434 PolarHBondContact O-N 2.86Å; I432-D435 PolarHBondContact O-N 3.17Å; I432-L438 HydrophobicContact CG1-CD1 4.16Å; I432-L438 HydrophobicContact CG2-CB 4.24Å; I432-V439 VanDerWaalsContact O-CG2 3.29Å; I432-V439 WeakPolarHBondContact O-CG2 3.27Å; I432-F442 HydrophobicContact CD1-CE2 3.85Å; I432-F442 HydrophobicContact CD1-CZ 4.04Å; I432-F442 HydrophobicContact CG1-CE2 4.13Å; I432-F442 HydrophobicContact CG2-CD2 3.64Å; I432-F442 HydrophobicContact CG2-CE2 3.58Å; I432-L455 HydrophobicContact CD1-CD1 4.17Å; I432-L455 HydrophobicContact CG2-CD1 4.12Å; I432-L455 HydrophobicContact CG2-CD2 4.3Å; I432-I459 HydrophobicContact CD1-CD1 3.62Å; I432-I459 HydrophobicContact CD1-CG1 3.89Å |
| 433 | L | 88.4 | Confident | 86.3 | Confident | 57 Ų | 57 | 69.3 Ų | 69.3 | 30% | 0.298 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.1 | -31.2 | -180 | -74.7 | 173.5 | 0 | 0 | 0 | 113.3 | H429 N430 P449 Y450 | H429-L433 WeakPolarHBondContact O-CB 3.27Å; H429-L433 VanDerWaalsContact O-CG 3.3Å; H429-L433 WeakPolarHBondContact O-CG 3.36Å; H429-L433 PolarHBondContact O-N 2.92Å; N430-L433 PolarHBondContact O-N 2.92Å; L433-P449 HydrophobicContact CD2-CB 4.31Å; L433-P449 VanDerWaalsContact CD2-O 3.29Å; L433-P449 WeakPolarHBondContact CD2-O 3.49Å; L433-Y450 HydrophobicContact CD2-CD1 3.76Å; L433-Y450 HydrophobicContact CD2-CE1 3.96Å; L433-Y450 HydrophobicContact CD2-CG 4.42Å |
| 434 | N | 86.8 | Confident | 86.9 | Confident | 134 Ų | 134 | 73.4 Ų | 73.4 | 72% | 0.717 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -83.1 | -16.2 | 178.2 | -70.6 | -21.5 | 0 | 0 | 0 | 113.3 | N430 I431 I432 | N430-N434 WeakPolarHBondContact O-CB 3.19Å; N430-N434 PolarHBondContact O-N 2.85Å; N430-N434 PolarHBondContact O-ND2 3.32Å; I431-N434 PolarHBondContact O-N 3.49Å; I432-N434 VanDerWaalsContact C-N 3.29Å; I432-N434 PolarHBondContact O-N 2.86Å |
| 435 | D | 90 | Very high | 87.4 | Confident | 75 Ų | 75 | 80.5 Ų | 80.5 | 40% | 0.401 | 41% | 0.411 | S | S | . | . | trans | -96.7 | 102 | 176.3 | -175.4 | -32 | 0 | 0 | 0 | 110.4 | I431 I432 G437 L438 V439 | I431-D435 PolarHBondContact O-N 2.83Å; I432-D435 PolarHBondContact O-N 3.17Å; D435-G437 PolarHBondContact O-N 2.9Å; D435-G437 VanDerWaalsContact O-N 3.13Å; D435-G437 VanDerWaalsContact OD1-CA 3.29Å; D435-G437 WeakPolarHBondContact OD1-CA 3.43Å; D435-G437 PolarHBondContact OD1-N 3.47Å; D435-L438 HydrophobicContact CB-CB 4.01Å; D435-L438 HydrophobicContact CB-CD1 3.88Å; D435-L438 HydrophobicContact CB-CG 3.98Å; D435-L438 PolarHBondContact O-N 3.43Å; D435-L438 PolarHBondContact OD1-N 2.87Å; D435-V439 WeakPolarHBondContact O-CG2 3.46Å; D435-V439 PolarHBondContact O-N 2.96Å | ||
| 436 | Y | 90.1 | Very high | 88.3 | Confident | 162 Ų | 162 | 82.6 Ų | 82.6 | 64% | 0.635 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -54.7 | -32.3 | 178.5 | -175.9 | -106.1 | 0 | 0 | 0 | 113.7 | K440 | Y436-K440 HydrophobicContact CD1-CD 4.19Å; Y436-K440 HydrophobicContact CE1-CD 3.69Å; Y436-K440 HydrophobicContact CE1-CG 4.42Å; Y436-K440 VanDerWaalsContact CZ-NZ 3.31Å; Y436-K440 WeakPolarHBondContact O-CB 3.35Å; Y436-K440 WeakPolarHBondContact O-CG 3.2Å; Y436-K440 PolarHBondContact O-N 3.42Å; Y436-K440 VanDerWaalsContact O-N 3.09Å; Y436-K440 WeakPolarHBondContact OH-CE 3.4Å; Y436-K440 PolarHBondContact OH-NZ 2.88Å |
| 437 | G | 92.6 | Very high | 89.2 | Confident | 34 Ų | 34 | 78.9 Ų | 78.9 | 35% | 0.351 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -70 | -41.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | D435 K441 | D435-G437 PolarHBondContact O-N 2.9Å; D435-G437 VanDerWaalsContact O-N 3.13Å; D435-G437 VanDerWaalsContact OD1-CA 3.29Å; D435-G437 WeakPolarHBondContact OD1-CA 3.43Å; D435-G437 PolarHBondContact OD1-N 3.47Å; G437-K441 WeakPolarHBondContact O-CG 3.3Å; G437-K441 PolarHBondContact O-N 3.31Å; G437-K441 VanDerWaalsContact O-N 3.11Å |
| 438 | L | 91.6 | Very high | 89.7 | Confident | 53 Ų | 53 | 79.8 Ų | 79.8 | 28% | 0.277 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -68.6 | -45 | 174.1 | -67.7 | 177.4 | 0 | 0 | 0 | 111.5 | I432 D435 K440 K441 F442 | I432-L438 HydrophobicContact CG1-CD1 4.16Å; I432-L438 HydrophobicContact CG2-CB 4.24Å; D435-L438 HydrophobicContact CB-CB 4.01Å; D435-L438 HydrophobicContact CB-CD1 3.88Å; D435-L438 HydrophobicContact CB-CG 3.98Å; D435-L438 PolarHBondContact O-N 3.43Å; D435-L438 PolarHBondContact OD1-N 2.87Å; L438-K440 VanDerWaalsContact C-N 3.3Å; L438-K440 PolarHBondContact O-N 3.42Å; L438-K441 WeakPolarHBondContact O-CB 3.18Å; L438-K441 PolarHBondContact O-N 2.83Å; L438-F442 VanDerWaalsContact O-CD2 3.29Å; L438-F442 WeakPolarHBondContact O-CD2 3.14Å; L438-F442 PolarHBondContact O-N 3.03Å |
| 439 | V | 92.4 | Very high | 89.9 | Confident | 4 Ų | 4 | 76.1 Ų | 76.1 | 2% | 0.024 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -50.8 | -51.4 | 174.4 | 170.1 | 0 | 0 | 0 | 0 | 110.5 | I432 D435 K441 F442 Q443 P449 Y450 | I432-V439 VanDerWaalsContact O-CG2 3.29Å; I432-V439 WeakPolarHBondContact O-CG2 3.27Å; D435-V439 WeakPolarHBondContact O-CG2 3.46Å; D435-V439 PolarHBondContact O-N 2.96Å; V439-K441 VanDerWaalsContact C-N 3.35Å; V439-K441 PolarHBondContact O-N 2.91Å; V439-F442 PolarHBondContact O-N 3.24Å; V439-Q443 WeakPolarHBondContact O-CG 3.19Å; V439-Q443 PolarHBondContact O-N 2.67Å; V439-P449 HydrophobicContact CB-CG 4.37Å; V439-P449 HydrophobicContact CG1-CG 3.76Å; V439-Y450 HydrophobicContact CG1-CE2 4.39Å |
| 440 | K | 92.6 | Very high | 90.3 | Very high | 103 Ų | 103 | 81.3 Ų | 81.3 | 45% | 0.448 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.5 | -39 | 177.3 | -82.3 | -173.3 | 165.3 | 174.1 | 0 | 113.6 | Y436 L438 Q443 S444 | Y436-K440 HydrophobicContact CD1-CD 4.19Å; Y436-K440 HydrophobicContact CE1-CD 3.69Å; Y436-K440 HydrophobicContact CE1-CG 4.42Å; Y436-K440 VanDerWaalsContact CZ-NZ 3.31Å; Y436-K440 WeakPolarHBondContact O-CB 3.35Å; Y436-K440 WeakPolarHBondContact O-CG 3.2Å; Y436-K440 PolarHBondContact O-N 3.42Å; Y436-K440 VanDerWaalsContact O-N 3.09Å; Y436-K440 WeakPolarHBondContact OH-CE 3.4Å; Y436-K440 PolarHBondContact OH-NZ 2.88Å; L438-K440 VanDerWaalsContact C-N 3.3Å; L438-K440 PolarHBondContact O-N 3.42Å; K440-Q443 PolarHBondContact O-N 2.75Å; K440-S444 WeakPolarHBondContact O-CB 3.35Å; K440-S444 PolarHBondContact O-N 2.98Å |
| 441 | K | 92.9 | Very high | 90.6 | Very high | 141 Ų | 141 | 80 Ų | 80 | 61% | 0.613 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -64.7 | -43.1 | 177.6 | -77.2 | 174.2 | -178.5 | 177.6 | 0 | 111.5 | G437 L438 V439 S444 K445 | G437-K441 WeakPolarHBondContact O-CG 3.3Å; G437-K441 PolarHBondContact O-N 3.31Å; G437-K441 VanDerWaalsContact O-N 3.11Å; L438-K441 WeakPolarHBondContact O-CB 3.18Å; L438-K441 PolarHBondContact O-N 2.83Å; V439-K441 VanDerWaalsContact C-N 3.35Å; V439-K441 PolarHBondContact O-N 2.91Å; K441-S444 PolarHBondContact O-N 3.24Å; K441-S444 PolarHBondContact O-OG 2.99Å; K441-K445 WeakPolarHBondContact O-CG 3.3Å; K441-K445 PolarHBondContact O-N 2.82Å |
| 442 | F | 93.2 | Very high | 90.8 | Very high | 24 Ų | 24 | 79.9 Ų | 79.9 | 11% | 0.105 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -62.9 | -45.7 | 174.6 | -81.8 | -76.5 | 0 | 0 | 0 | 111.5 | I432 L438 V439 S444 K445 N446 V447 P449 L455 A458 I462 | I432-F442 HydrophobicContact CD1-CE2 3.85Å; I432-F442 HydrophobicContact CD1-CZ 4.04Å; I432-F442 HydrophobicContact CG1-CE2 4.13Å; I432-F442 HydrophobicContact CG2-CD2 3.64Å; I432-F442 HydrophobicContact CG2-CE2 3.58Å; L438-F442 VanDerWaalsContact O-CD2 3.29Å; L438-F442 WeakPolarHBondContact O-CD2 3.14Å; L438-F442 PolarHBondContact O-N 3.03Å; V439-F442 PolarHBondContact O-N 3.24Å; F442-S444 VanDerWaalsContact C-N 3.3Å; F442-S444 PolarHBondContact O-N 3.28Å; F442-K445 CarbonylContact O-C 3.55Å; F442-K445 WeakPolarHBondContact O-CA 3.49Å; F442-K445 PolarHBondContact O-N 2.83Å; F442-N446 PolarHBondContact O-N 2.85Å; F442-V447 CarbonylContact C-O 3.21Å; F442-V447 HydrophobicContact CB-CB 4.29Å; F442-V447 HydrophobicContact CD1-CB 4.06Å; F442-V447 HydrophobicContact CD1-CG1 3.92Å; F442-V447 HydrophobicContact CD1-CG2 4.48Å; F442-V447 PolarHBondContact O-N 2.91Å; F442-V447 VanDerWaalsContact O-N 3.09Å; F442-V447 VanDerWaalsContact O-O 3.12Å; F442-P449 HydrophobicContact CB-CB 4.23Å; F442-P449 HydrophobicContact CB-CG 4.47Å; F442-L455 HydrophobicContact CD1-CD1 4.06Å; F442-L455 HydrophobicContact CD2-CD1 4.31Å; F442-L455 HydrophobicContact CE1-CD1 3.89Å; F442-L455 HydrophobicContact CE2-CD1 4.17Å; F442-L455 HydrophobicContact CG-CD1 4.27Å; F442-L455 HydrophobicContact CZ-CD1 3.95Å; F442-A458 HydrophobicContact CD1-CB 4.24Å; F442-A458 HydrophobicContact CE1-CB 3.88Å; F442-I462 HydrophobicContact CE1-CD1 3.87Å; F442-I462 HydrophobicContact CZ-CD1 4.05Å |
| 443 | Q | 92.9 | Very high | 91 | Very high | 95 Ų | 95 | 83.8 Ų | 83.8 | 44% | 0.444 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -58.2 | -41.2 | 175.1 | -72.2 | 175.3 | -20.6 | 0 | 0 | 112.3 | V439 K440 K445 N446 V447 P449 | V439-Q443 WeakPolarHBondContact O-CG 3.19Å; V439-Q443 PolarHBondContact O-N 2.67Å; K440-Q443 PolarHBondContact O-N 2.75Å; Q443-K445 PolarHBondContact O-N 3.12Å; Q443-K445 VanDerWaalsContact O-N 3.15Å; Q443-N446 PolarHBondContact O-N 3.21Å; Q443-N446 VanDerWaalsContact O-N 3.07Å; Q443-V447 PolarHBondContact N-O 3.33Å; Q443-P449 HydrophobicContact CG-CG 4.07Å |
| 444 | S | 92.6 | Very high | 91.2 | Very high | 86 Ų | 86 | 84.8 Ų | 84.8 | 60% | 0.601 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -64.2 | -17.5 | 176.5 | 78.6 | 0 | 0 | 0 | 0 | 114 | K440 K441 F442 | K440-S444 WeakPolarHBondContact O-CB 3.35Å; K440-S444 PolarHBondContact O-N 2.98Å; K441-S444 PolarHBondContact O-N 3.24Å; K441-S444 PolarHBondContact O-OG 2.99Å; F442-S444 VanDerWaalsContact C-N 3.3Å; F442-S444 PolarHBondContact O-N 3.28Å |
| 445 | K | 90.3 | Very high | 91.4 | Very high | 165 Ų | 165 | 78.5 Ų | 78.5 | 72% | 0.717 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102 | 17.1 | 177.1 | -64.4 | -64.8 | -175 | -178.6 | 0 | 112.6 | K441 F442 Q443 V447 | K441-K445 WeakPolarHBondContact O-CG 3.3Å; K441-K445 PolarHBondContact O-N 2.82Å; F442-K445 CarbonylContact O-C 3.55Å; F442-K445 WeakPolarHBondContact O-CA 3.49Å; F442-K445 PolarHBondContact O-N 2.83Å; Q443-K445 PolarHBondContact O-N 3.12Å; Q443-K445 VanDerWaalsContact O-N 3.15Å; K445-V447 PolarHBondContact O-N 3.17Å |
| 446 | N | 91.2 | Very high | 91.5 | Very high | 152 Ų | 152 | 77.7 Ų | 77.7 | 81% | 0.813 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | 29.2 | -177 | -61.3 | -32.4 | 0 | 0 | 0 | 113.7 | F442 Q443 | F442-N446 PolarHBondContact O-N 2.85Å; Q443-N446 PolarHBondContact O-N 3.21Å; Q443-N446 VanDerWaalsContact O-N 3.07Å |
| 447 | V | 91.8 | Very high | 91.6 | Very high | 27 Ų | 27 | 77 Ų | 77 | 16% | 0.164 | 40% | 0.397 | C | S | . | . | trans | -104.9 | 122.7 | 170.3 | 179.3 | 0 | 0 | 0 | 0 | 106.9 | F442 Q443 K445 P449 Q454 A458 | F442-V447 CarbonylContact C-O 3.21Å; F442-V447 HydrophobicContact CB-CB 4.29Å; F442-V447 HydrophobicContact CD1-CB 4.06Å; F442-V447 HydrophobicContact CD1-CG1 3.92Å; F442-V447 HydrophobicContact CD1-CG2 4.48Å; F442-V447 PolarHBondContact O-N 2.91Å; F442-V447 VanDerWaalsContact O-N 3.09Å; F442-V447 VanDerWaalsContact O-O 3.12Å; Q443-V447 PolarHBondContact N-O 3.33Å; K445-V447 PolarHBondContact O-N 3.17Å; V447-P449 WeakPolarHBondContact O-CD 3.41Å; V447-Q454 HydrophobicContact CG1-CB 4.22Å; V447-A458 HydrophobicContact CB-CB 4.43Å; V447-A458 HydrophobicContact CG1-CB 3.76Å; V447-A458 HydrophobicContact CG2-CB 3.86Å | ||
| 448 | D | 90.8 | Very high | 91.5 | Very high | 67 Ų | 67 | 76.1 Ų | 76.1 | 36% | 0.358 | 39% | 0.387 | S | S | . | . | trans | -76 | 111.1 | 168.7 | -176.5 | 4.5 | 0 | 0 | 0 | 109.4 | Y450 D451 Q454 | D448-Y450 PolarHBondContact O-N 2.97Å; D448-Y450 PolarHBondContact OD1-N 3.49Å; D448-D451 HydrophobicContact CB-CB 4.12Å; D448-D451 PolarHBondContact O-N 2.64Å; D448-Q454 VanDerWaalsContact N-OE1 3.15Å | ||
| 449 | P | 87.3 | Confident | 91.5 | Very high | 1 Ų | 1 | 74.4 Ų | 74.4 | 1% | 0.006 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -19.5 | 178.8 | 28.2 | -32.7 | 0 | 0 | 0 | 112.8 | L433 V439 F442 Q443 V447 L455 | L433-P449 HydrophobicContact CD2-CB 4.31Å; L433-P449 VanDerWaalsContact CD2-O 3.29Å; L433-P449 WeakPolarHBondContact CD2-O 3.49Å; V439-P449 HydrophobicContact CB-CG 4.37Å; V439-P449 HydrophobicContact CG1-CG 3.76Å; F442-P449 HydrophobicContact CB-CB 4.23Å; F442-P449 HydrophobicContact CB-CG 4.47Å; Q443-P449 HydrophobicContact CG-CG 4.07Å; V447-P449 WeakPolarHBondContact O-CD 3.41Å; P449-L455 WeakPolarHBondContact O-CD2 3.48Å |
| 450 | Y | 91.4 | Very high | 91.4 | Very high | 157 Ų | 157 | 79 Ų | 79 | 62% | 0.616 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -15.7 | 177.3 | -60.4 | -76.1 | 0 | 0 | 0 | 113 | L433 V439 D448 S452 | L433-Y450 HydrophobicContact CD2-CD1 3.76Å; L433-Y450 HydrophobicContact CD2-CE1 3.96Å; L433-Y450 HydrophobicContact CD2-CG 4.42Å; V439-Y450 HydrophobicContact CG1-CE2 4.39Å; D448-Y450 PolarHBondContact O-N 2.97Å; D448-Y450 PolarHBondContact OD1-N 3.49Å; Y450-S452 PolarHBondContact O-N 2.79Å |
| 451 | D | 91.4 | Very high | 91.2 | Very high | 55 Ų | 55 | 79.9 Ų | 79.9 | 29% | 0.294 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -86 | 106.9 | 169.1 | -179.8 | -13.4 | 0 | 0 | 0 | 109.8 | D448 V453 Q454 L455 | D448-D451 HydrophobicContact CB-CB 4.12Å; D448-D451 PolarHBondContact O-N 2.64Å; D451-V453 PolarHBondContact O-N 3.35Å; D451-V453 VanDerWaalsContact O-N 3.14Å; D451-V453 WeakPolarHBondContact OD1-CB 3.44Å; D451-V453 PolarHBondContact OD1-N 3.39Å; D451-Q454 HydrophobicContact CB-CB 4.08Å; D451-Q454 HydrophobicContact CB-CG 4.23Å; D451-Q454 PolarHBondContact O-N 3.33Å; D451-Q454 PolarHBondContact OD1-N 3.07Å; D451-Q454 WeakPolarHBondContact OD2-CG 3.2Å; D451-Q454 PolarHBondContact OD2-NE2 2.83Å; D451-L455 WeakPolarHBondContact O-CB 3.41Å; D451-L455 PolarHBondContact O-N 2.75Å |
| 452 | S | 89 | Confident | 91 | Very high | 78 Ų | 78 | 77.2 Ų | 77.2 | 55% | 0.545 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -56.3 | -30.9 | -179.4 | -175.9 | 0 | 0 | 0 | 0 | 113.6 | Y450 S456 | Y450-S452 PolarHBondContact O-N 2.79Å; S452-S456 WeakPolarHBondContact O-CB 3.42Å; S452-S456 PolarHBondContact O-N 2.93Å |
| 453 | V | 91.6 | Very high | 90.8 | Very high | 90 Ų | 90 | 81 Ų | 81 | 55% | 0.545 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -76.8 | -44.4 | -178.3 | 179.5 | 0 | 0 | 0 | 0 | 110.2 | D451 K457 | D451-V453 PolarHBondContact O-N 3.35Å; D451-V453 VanDerWaalsContact O-N 3.14Å; D451-V453 WeakPolarHBondContact OD1-CB 3.44Å; D451-V453 PolarHBondContact OD1-N 3.39Å; V453-K457 HydrophobicContact CG1-CD 4.48Å; V453-K457 WeakPolarHBondContact O-CG 3Å; V453-K457 PolarHBondContact O-N 2.89Å |
| 454 | Q | 92.2 | Very high | 90.6 | Very high | 78 Ų | 78 | 84.5 Ų | 84.5 | 36% | 0.364 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.3 | -46.3 | 175.8 | -74.6 | -178.2 | 52.8 | 0 | 0 | 111.4 | V447 D448 D451 S456 K457 A458 | V447-Q454 HydrophobicContact CG1-CB 4.22Å; D448-Q454 VanDerWaalsContact N-OE1 3.15Å; D451-Q454 HydrophobicContact CB-CB 4.08Å; D451-Q454 HydrophobicContact CB-CG 4.23Å; D451-Q454 PolarHBondContact O-N 3.33Å; D451-Q454 PolarHBondContact OD1-N 3.07Å; D451-Q454 WeakPolarHBondContact OD2-CG 3.2Å; D451-Q454 PolarHBondContact OD2-NE2 2.83Å; Q454-S456 PolarHBondContact O-N 3.41Å; Q454-K457 PolarHBondContact O-N 3.13Å; Q454-A458 WeakPolarHBondContact O-CB 3.32Å; Q454-A458 PolarHBondContact O-N 2.7Å |
| 455 | L | 92.2 | Very high | 90.3 | Very high | 1 Ų | 1 | 84.6 Ų | 84.6 | 1% | 0.005 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -61.7 | -45.1 | 178.6 | -177.9 | 56.3 | 0 | 0 | 0 | 111.3 | H429 I432 F442 P449 D451 K457 A458 I459 | H429-L455 HydrophobicContact CB-CD2 4.3Å; I432-L455 HydrophobicContact CD1-CD1 4.17Å; I432-L455 HydrophobicContact CG2-CD1 4.12Å; I432-L455 HydrophobicContact CG2-CD2 4.3Å; F442-L455 HydrophobicContact CD1-CD1 4.06Å; F442-L455 HydrophobicContact CD2-CD1 4.31Å; F442-L455 HydrophobicContact CE1-CD1 3.89Å; F442-L455 HydrophobicContact CE2-CD1 4.17Å; F442-L455 HydrophobicContact CG-CD1 4.27Å; F442-L455 HydrophobicContact CZ-CD1 3.95Å; P449-L455 WeakPolarHBondContact O-CD2 3.48Å; D451-L455 WeakPolarHBondContact O-CB 3.41Å; D451-L455 PolarHBondContact O-N 2.75Å; L455-K457 PolarHBondContact O-N 3.43Å; L455-A458 PolarHBondContact O-N 2.89Å; L455-I459 HydrophobicContact CD1-CD1 3.92Å; L455-I459 HydrophobicContact CD1-CG1 4.08Å; L455-I459 HydrophobicContact CG-CD1 3.77Å; L455-I459 HydrophobicContact CG-CG1 4.39Å; L455-I459 WeakPolarHBondContact O-CB 3.39Å; L455-I459 VanDerWaalsContact O-CG1 3.24Å; L455-I459 WeakPolarHBondContact O-CG1 3.26Å; L455-I459 PolarHBondContact O-N 2.97Å |
| 456 | S | 91.9 | Very high | 89.8 | Confident | 58 Ų | 58 | 81.2 Ų | 81.2 | 41% | 0.406 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.4 | -41.4 | 176.9 | -175.5 | 0 | 0 | 0 | 0 | 112.6 | S452 Q454 H460 | S452-S456 WeakPolarHBondContact O-CB 3.42Å; S452-S456 PolarHBondContact O-N 2.93Å; Q454-S456 PolarHBondContact O-N 3.41Å; S456-H460 WeakPolarHBondContact O-CB 3.37Å; S456-H460 PolarHBondContact O-N 3.26Å |
| 457 | K | 91.6 | Very high | 89.1 | Confident | 149 Ų | 149 | 78.4 Ų | 78.4 | 65% | 0.648 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -64.5 | -43.1 | 176 | -76.2 | 178.1 | -179.3 | 179.2 | 0 | 111.6 | V453 Q454 L455 H460 Y461 | V453-K457 HydrophobicContact CG1-CD 4.48Å; V453-K457 WeakPolarHBondContact O-CG 3Å; V453-K457 PolarHBondContact O-N 2.89Å; Q454-K457 PolarHBondContact O-N 3.13Å; L455-K457 PolarHBondContact O-N 3.43Å; K457-H460 PolarHBondContact O-N 3.04Å; K457-Y461 WeakPolarHBondContact O-CB 3.39Å; K457-Y461 PolarHBondContact O-N 2.97Å |
| 458 | A | 90.9 | Very high | 87.9 | Confident | 15 Ų | 15 | 86.8 Ų | 86.8 | 12% | 0.124 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -65.3 | -42.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | F442 V447 Q454 L455 Y461 I462 | F442-A458 HydrophobicContact CD1-CB 4.24Å; F442-A458 HydrophobicContact CE1-CB 3.88Å; V447-A458 HydrophobicContact CB-CB 4.43Å; V447-A458 HydrophobicContact CG1-CB 3.76Å; V447-A458 HydrophobicContact CG2-CB 3.86Å; Q454-A458 WeakPolarHBondContact O-CB 3.32Å; Q454-A458 PolarHBondContact O-N 2.7Å; L455-A458 PolarHBondContact O-N 2.89Å; A458-Y461 PolarHBondContact O-N 3.1Å; A458-I462 WeakPolarHBondContact O-CB 3.49Å; A458-I462 WeakPolarHBondContact O-CD1 3.31Å; A458-I462 WeakPolarHBondContact O-CG1 3.46Å; A458-I462 PolarHBondContact O-N 2.78Å |
| 459 | I | 90.9 | Very high | 86.4 | Confident | 17 Ų | 17 | 92.1 Ų | 92.1 | 9% | 0.087 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -60.1 | -47.2 | 174.3 | -71.5 | 167.3 | 0 | 0 | 0 | 110.5 | L428 I432 L455 Y461 I462 L463 | L428-I459 HydrophobicContact CD2-CD1 4.16Å; L428-I459 HydrophobicContact CD2-CG1 4.38Å; L428-I459 HydrophobicContact CD2-CG2 3.61Å; L428-I459 HydrophobicContact CG-CD1 4.19Å; I432-I459 HydrophobicContact CD1-CD1 3.62Å; I432-I459 HydrophobicContact CD1-CG1 3.89Å; L455-I459 HydrophobicContact CD1-CD1 3.92Å; L455-I459 HydrophobicContact CD1-CG1 4.08Å; L455-I459 HydrophobicContact CG-CD1 3.77Å; L455-I459 HydrophobicContact CG-CG1 4.39Å; L455-I459 WeakPolarHBondContact O-CB 3.39Å; L455-I459 VanDerWaalsContact O-CG1 3.24Å; L455-I459 WeakPolarHBondContact O-CG1 3.26Å; L455-I459 PolarHBondContact O-N 2.97Å; I459-Y461 VanDerWaalsContact C-N 3.34Å; I459-Y461 PolarHBondContact O-N 3.35Å; I459-I462 PolarHBondContact O-N 3.22Å; I459-L463 HydrophobicContact CG2-CD1 3.63Å; I459-L463 HydrophobicContact CG2-CG 4.27Å; I459-L463 WeakPolarHBondContact O-CB 3.25Å; I459-L463 WeakPolarHBondContact O-CG 3.25Å; I459-L463 PolarHBondContact O-N 3.21Å |
| 460 | H | 90.5 | Very high | 84.7 | Confident | 99 Ų | 99 | 100.1 Ų | 100.1 | 46% | 0.458 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.8 | -47 | 178.8 | -169.9 | 74 | 0 | 0 | 0 | 111.2 | S456 K457 I462 L463 Y464 D465 | S456-H460 WeakPolarHBondContact O-CB 3.37Å; S456-H460 PolarHBondContact O-N 3.26Å; K457-H460 PolarHBondContact O-N 3.04Å; H460-I462 VanDerWaalsContact C-N 3.34Å; H460-I462 PolarHBondContact O-N 2.89Å; H460-L463 PolarHBondContact O-N 2.9Å; H460-Y464 AromaticContact CE1-CD2 3.6Å; H460-Y464 AromaticContact CG-CD2 3.98Å; H460-Y464 AromaticContact ND1-CD2 3.29Å; H460-Y464 VanDerWaalsContact ND1-CD2 3.29Å; H460-Y464 WeakPolarHBondContact ND1-CD2 3.37Å; H460-Y464 AromaticContact ND1-CE2 3.78Å; H460-Y464 WeakPolarHBondContact O-CB 3.07Å; H460-Y464 WeakPolarHBondContact O-CD2 3.25Å; H460-Y464 PolarHBondContact O-N 3.33Å; H460-D465 IonicContact CD2-OD2 3.59Å |
| 461 | Y | 89.3 | Confident | 82.8 | Confident | 122 Ų | 122 | 98.9 Ų | 98.9 | 48% | 0.478 | 50% | 0.499 | S | S | . | . | I | π-helix | trans | -57.8 | -46.1 | 176.5 | 177.8 | -98.6 | 0 | 0 | 0 | 112 | K457 A458 I459 D465 L466 | K457-Y461 WeakPolarHBondContact O-CB 3.39Å; K457-Y461 PolarHBondContact O-N 2.97Å; A458-Y461 PolarHBondContact O-N 3.1Å; I459-Y461 VanDerWaalsContact C-N 3.34Å; I459-Y461 PolarHBondContact O-N 3.35Å; Y461-D465 HydrophobicContact CD2-CB 3.54Å; Y461-D465 HydrophobicContact CE2-CB 4.01Å; Y461-D465 HydrophobicContact CG-CB 4.28Å; Y461-D465 CarbonylContact O-C 3.57Å; Y461-D465 WeakPolarHBondContact O-CA 3.2Å; Y461-D465 PolarHBondContact O-N 3.05Å; Y461-L466 HydrophobicContact CD1-CD1 4.27Å; Y461-L466 HydrophobicContact CE1-CD1 3.83Å; Y461-L466 PolarHBondContact O-N 3Å |
| 462 | I | 88.5 | Confident | 80.7 | Confident | 85 Ų | 85 | 104 Ų | 104 | 44% | 0.436 | 52% | 0.521 | S | S | . | . | I | π-helix | trans | -65.7 | -41.3 | -179.7 | -68.7 | 163.3 | 0 | 0 | 0 | 112 | F442 A458 I459 H460 | F442-I462 HydrophobicContact CE1-CD1 3.87Å; F442-I462 HydrophobicContact CZ-CD1 4.05Å; A458-I462 WeakPolarHBondContact O-CB 3.49Å; A458-I462 WeakPolarHBondContact O-CD1 3.31Å; A458-I462 WeakPolarHBondContact O-CG1 3.46Å; A458-I462 PolarHBondContact O-N 2.78Å; I459-I462 PolarHBondContact O-N 3.22Å; H460-I462 VanDerWaalsContact C-N 3.34Å; H460-I462 PolarHBondContact O-N 2.89Å |
| 463 | L | 87.7 | Confident | 78.8 | Confident | 104 Ų | 104 | 105.5 Ų | 105.5 | 55% | 0.545 | 53% | 0.529 | S | S | . | . | I | π-helix | trans | -80.9 | -31.1 | -174.6 | -69.4 | 177.9 | 0 | 0 | 0 | 113.3 | L428 I459 H460 | L428-L463 HydrophobicContact CD2-CD1 4.28Å; I459-L463 HydrophobicContact CG2-CD1 3.63Å; I459-L463 HydrophobicContact CG2-CG 4.27Å; I459-L463 WeakPolarHBondContact O-CB 3.25Å; I459-L463 WeakPolarHBondContact O-CG 3.25Å; I459-L463 PolarHBondContact O-N 3.21Å; H460-L463 PolarHBondContact O-N 2.9Å |
| 464 | Y | 88.9 | Confident | 76.7 | Confident | 169 Ų | 169 | 109.6 Ų | 109.6 | 66% | 0.663 | 55% | 0.547 | S | S | * | . | I | π-helix | trans | -124.9 | -34.9 | -168.3 | -58.5 | -73.6 | 0 | 0 | 0 | 114.2 | H460 | H460-Y464 AromaticContact CE1-CD2 3.6Å; H460-Y464 AromaticContact CG-CD2 3.98Å; H460-Y464 AromaticContact ND1-CD2 3.29Å; H460-Y464 VanDerWaalsContact ND1-CD2 3.29Å; H460-Y464 WeakPolarHBondContact ND1-CD2 3.37Å; H460-Y464 AromaticContact ND1-CE2 3.78Å; H460-Y464 WeakPolarHBondContact O-CB 3.07Å; H460-Y464 WeakPolarHBondContact O-CD2 3.25Å; H460-Y464 PolarHBondContact O-N 3.33Å |
| 465 | D | 87.9 | Confident | 74.6 | Confident | 87 Ų | 87 | 118.5 Ų | 118.5 | 47% | 0.465 | 59% | 0.588 | S | S | . | * | I | π-helix | trans | -102.7 | -8.5 | -172.8 | -54.8 | -39.8 | 0 | 0 | 0 | 113.7 | H460 Y461 P467 | H460-D465 IonicContact CD2-OD2 3.59Å; Y461-D465 HydrophobicContact CD2-CB 3.54Å; Y461-D465 HydrophobicContact CE2-CB 4.01Å; Y461-D465 HydrophobicContact CG-CB 4.28Å; Y461-D465 CarbonylContact O-C 3.57Å; Y461-D465 WeakPolarHBondContact O-CA 3.2Å; Y461-D465 PolarHBondContact O-N 3.05Å; D465-P467 WeakPolarHBondContact O-CD 3.43Å |
| 466 | L | 79.9 | Confident | 73.8 | Confident | 95 Ų | 95 | 124.4 Ų | 124.4 | 50% | 0.497 | 62% | 0.617 | S | S | . | * | S | Bend | trans | -64.6 | 121.1 | 178.8 | -149 | 103.4 | 0 | 0 | 0 | 108.2 | Y461 K468 | Y461-L466 HydrophobicContact CD1-CD1 4.27Å; Y461-L466 HydrophobicContact CE1-CD1 3.83Å; Y461-L466 PolarHBondContact O-N 3Å; L466-K468 PolarHBondContact O-N 3.29Å; L466-K468 VanDerWaalsContact O-N 3.13Å |
| 467 | P | 74.6 | Confident | 72.8 | Confident | 93 Ų | 93 | 127.9 Ų | 127.9 | 60% | 0.604 | 63% | 0.628 | S | S | * | * | trans | -57.8 | 124.8 | 177 | -20.3 | 30.6 | 0 | 0 | 0 | 108.6 | D465 Q469 | D465-P467 WeakPolarHBondContact O-CD 3.43Å; P467-Q469 PolarHBondContact O-N 2.84Å | ||
| 468 | K | 68.2 | Low | 71.8 | Confident | 202 Ų | 202 | 126.7 Ų | 126.7 | 88% | 0.878 | 63% | 0.627 | S | S | * | * | trans | -55.9 | 110.9 | 171.1 | -69 | -178.1 | 179.2 | 179.6 | 0 | 106.7 | L466 E470 | L466-K468 PolarHBondContact O-N 3.29Å; L466-K468 VanDerWaalsContact O-N 3.13Å; K468-E470 PolarHBondContact O-N 2.86Å; K468-E470 VanDerWaalsContact O-N 3.16Å | ||
| 469 | Q | 58.9 | Low | 70.6 | Confident | 179 Ų | 179 | 133.3 Ų | 133.3 | 84% | 0.836 | 66% | 0.657 | S | S | * | * | trans | -55.6 | 124.7 | 168.5 | -80.6 | -178.6 | -31.6 | 0 | 0 | 106.7 | P467 T471 | P467-Q469 PolarHBondContact O-N 2.84Å; Q469-T471 PolarHBondContact O-N 2.64Å | ||
| 470 | E | 51 | Low | 69.4 | Low | 169 Ų | 169 | 140.6 Ų | 140.6 | 79% | 0.79 | 69% | 0.693 | S | S | * | * | trans | -53.2 | 105.6 | 174.3 | -73.2 | -177.7 | 160.8 | 0 | 0 | 107.9 | K468 H472 | K468-E470 PolarHBondContact O-N 2.86Å; K468-E470 VanDerWaalsContact O-N 3.16Å; E470-H472 VanDerWaalsContact C-N 3.32Å; E470-H472 PolarHBondContact O-N 3.39Å | ||
| 471 | T | 51 | Low | 68 | Low | 131 Ų | 131 | 143.3 Ų | 143.3 | 80% | 0.804 | 71% | 0.708 | S | S | * | * | trans | -67.2 | 98.2 | 169.5 | 47.7 | 0 | 0 | 0 | 0 | 106 | Q469 | Q469-T471 PolarHBondContact O-N 2.64Š| ||
| 472 | H | 48.2 | Very low | 66.4 | Low | 164 Ų | 164 | 144.9 Ų | 144.9 | 76% | 0.759 | 73% | 0.725 | S | S | * | * | trans | -53.7 | 126 | 169.1 | -84 | -72.2 | 0 | 0 | 0 | 108.1 | E470 L474 | E470-H472 VanDerWaalsContact C-N 3.32Å; E470-H472 PolarHBondContact O-N 3.39Å; H472-L474 PolarHBondContact O-N 2.75Å | ||
| 473 | P | 49.3 | Very low | 64.7 | Low | 109 Ų | 109 | 149.5 Ų | 149.5 | 71% | 0.708 | 75% | 0.747 | S | S | * | * | trans | -61.1 | 125.7 | 175.5 | 24 | -29.7 | 0 | 0 | 0 | 108 | Q475 | P473-Q475 PolarHBondContact O-N 3.15Š| ||
| 474 | L | 46 | Very low | 62.8 | Low | 176 Ų | 176 | 153.3 Ų | 153.3 | 92% | 0.921 | 76% | 0.764 | S | S | * | * | trans | -51.9 | 111.5 | 165.7 | -77.8 | 144.4 | 0 | 0 | 0 | 107.3 | H472 | H472-L474 PolarHBondContact O-N 2.75Š| ||
| 475 | Q | 49.9 | Very low | 60.5 | Low | 265 Ų | 265 | 151.8 Ų | 151.8 | 100% | 1.238 | 77% | 0.773 | S | S | * | * | trans | -77.6 | 0 | 165.4 | -84.9 | -173.6 | -17.6 | 0 | 0 | 110.2 | P473 | P473-Q475 PolarHBondContact O-N 3.15Š|
Retrieved 475 of 475 residues in 276 ms
(Link to these results)