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Transaldolase B

Transaldolase is important for the balance of metabolites in the pentose-phosphate pathway.

AlphaFold DB , UniProt , Accession P0A870, Species ECOLI (Escherichia coli (strain K12)), Gene talB, Length 317 aa.

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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
1M68.9Low94.4Very high190 Ų19065.4 Ų65.494%0.93632%0.317SS*.  0144.70-148.6177.3-70.500106.9E256M1-E256 HydrophobicContact SD-CB 3.99Å; M1-E256 HydrophobicContact SD-CG 4.28Å
2T90.5Very high94.8Very high68 Ų6860.3 Ų60.342%0.41729%0.292SS..  trans-83.6130.4178.2-570000109.1T6 G257T2-T6 HydrophobicContact CG2-CG2 3.63Å; T2-G257 PolarHBondContact O-N 3.05Å
3D96.8Very high95.1Very high38 Ų3859.6 Ų59.620%0.20329%0.294CS..BIsolated β-bridgetrans-78.7161.1173.165.989.5000111.4L5 T6 S7 A253 S255D3-L5 VanDerWaalsContact C-N 3.29Å; D3-L5 PolarHBondContact O-N 2.74Å; D3-L5 WeakPolarHBondContact OD1-CA 3.39Å; D3-L5 VanDerWaalsContact OD1-CB 3.24Å; D3-L5 WeakPolarHBondContact OD1-CB 3.5Å; D3-L5 PolarHBondContact OD1-N 2.81Å; D3-T6 PolarHBondContact O-N 3.02Å; D3-T6 PolarHBondContact OD1-N 2.96Å; D3-T6 PolarHBondContact OD1-OG1 3.16Å; D3-T6 VanDerWaalsContact OD2-CB 3.32Å; D3-T6 WeakPolarHBondContact OD2-CB 3.06Å; D3-T6 PolarHBondContact OD2-OG1 3.29Å; D3-S7 PolarHBondContact O-N 2.55Å; D3-A253 WeakPolarHBondContact CB-O 3.3Å; D3-S255 CarbonylContact C-O 3.48Å; D3-S255 WeakPolarHBondContact CA-O 3.4Å
4K98.2Very high95.3Very high53 Ų5355.5 Ų55.523%0.2327%0.274CS..Hα-helixtrans-65.5-29.9-176.3-70.5-175.4-175.6176.30112.8S7 L8 L234 L252 S255 E256 G257 I259K4-S7 PolarHBondContact O-N 3.05Å; K4-L8 WeakPolarHBondContact O-CB 3.5Å; K4-L8 PolarHBondContact O-N 3.28Å; K4-L234 HydrophobicContact CD-CD1 4.14Å; K4-L234 HydrophobicContact CD-CD2 4.23Å; K4-L252 HydrophobicContact CB-CD2 4.08Å; K4-L252 PolarHBondContact N-O 2.85Å; K4-S255 WeakPolarHBondContact CG-O 3.35Å; K4-S255 PolarHBondContact N-O 3.47Å; K4-E256 WeakPolarHBondContact CE-O 3.47Å; K4-G257 WeakPolarHBondContact CG-O 3.24Å; K4-I259 HydrophobicContact CB-CG2 3.9Å; K4-I259 HydrophobicContact CD-CG2 4.34Å; K4-I259 HydrophobicContact CG-CG2 3.85Å
5L98.1Very high95.5Very high8 Ų851.9 Ų51.94%0.04226%0.256CS..Hα-helixtrans-66.6-45.9175.2179.561.3000110.8D3 S7 L8 R9 V14 Y27 L249 L252 A253D3-L5 VanDerWaalsContact C-N 3.29Å; D3-L5 PolarHBondContact O-N 2.74Å; D3-L5 WeakPolarHBondContact OD1-CA 3.39Å; D3-L5 VanDerWaalsContact OD1-CB 3.24Å; D3-L5 WeakPolarHBondContact OD1-CB 3.5Å; D3-L5 PolarHBondContact OD1-N 2.81Å; L5-S7 VanDerWaalsContact C-N 3.3Å; L5-S7 PolarHBondContact O-N 3.42Å; L5-L8 PolarHBondContact O-N 3.23Å; L5-R9 WeakPolarHBondContact O-CG 3.4Å; L5-R9 PolarHBondContact O-N 3.26Å; L5-V14 HydrophobicContact CD1-CG1 4.16Å; L5-V14 HydrophobicContact CD1-CG2 4.06Å; L5-Y27 HydrophobicContact CD2-CD1 3.98Å; L5-L249 HydrophobicContact CD1-CD2 3.77Å; L5-L249 HydrophobicContact CD2-CD2 4.38Å; L5-L252 HydrophobicContact CB-CB 3.78Å; L5-L252 HydrophobicContact CD1-CD1 4.4Å; L5-L252 PolarHBondContact N-O 2.92Å; L5-A253 HydrophobicContact CB-CB 4.31Å; L5-A253 HydrophobicContact CD2-CB 4.05Å
6T97.5Very high95.7Very high66 Ų6648.6 Ų48.641%0.40524%0.24SC..Hα-helixtrans-62.3-39.3174.3-61.90000111.2T2 D3T2-T6 HydrophobicContact CG2-CG2 3.63Å; D3-T6 PolarHBondContact O-N 3.02Å; D3-T6 PolarHBondContact OD1-N 2.96Å; D3-T6 PolarHBondContact OD1-OG1 3.16Å; D3-T6 VanDerWaalsContact OD2-CB 3.32Å; D3-T6 WeakPolarHBondContact OD2-CB 3.06Å; D3-T6 PolarHBondContact OD2-OG1 3.29Å
7S97.7Very high95.9Very high3 Ų347.2 Ų47.22%0.02123%0.234CC..Hα-helixtrans-66.9-37.2175.6-166.40000112.7D3 K4 L5 R9 Q10 I259D3-S7 PolarHBondContact O-N 2.55Å; K4-S7 PolarHBondContact O-N 3.05Å; L5-S7 VanDerWaalsContact C-N 3.3Å; L5-S7 PolarHBondContact O-N 3.42Å; S7-R9 VanDerWaalsContact C-N 3.3Å; S7-R9 PolarHBondContact O-N 3.01Å; S7-Q10 WeakPolarHBondContact O-CB 3.38Å; S7-Q10 WeakPolarHBondContact O-CG 3.28Å; S7-Q10 PolarHBondContact O-N 3.42Å; S7-I259 PolarHBondContact OG-N 2.91Å
8L98.4Very high95.9Very high0 Ų045.5 Ų45.50%023%0.226CC..Hα-helixtrans-60.8-39.1177.9-179.562.6000112.7K4 L5 Q10 Y11 T12 V14 I233 A237 L242 I244 L252 I259K4-L8 WeakPolarHBondContact O-CB 3.5Å; K4-L8 PolarHBondContact O-N 3.28Å; L5-L8 PolarHBondContact O-N 3.23Å; L8-Q10 PolarHBondContact O-N 2.83Å; L8-Y11 PolarHBondContact O-N 3.5Å; L8-T12 HydrophobicContact CD1-CG2 4.44Å; L8-T12 PolarHBondContact O-N 2.76Å; L8-V14 HydrophobicContact CD2-CG2 4.07Å; L8-V14 HydrophobicContact CG-CG2 4.3Å; L8-I233 HydrophobicContact CD2-CG2 3.65Å; L8-A237 HydrophobicContact CD1-CB 3.98Å; L8-L242 HydrophobicContact CD1-CD1 4.26Å; L8-L242 HydrophobicContact CD2-CD1 4.45Å; L8-I244 HydrophobicContact CD2-CD1 3.94Å; L8-L252 HydrophobicContact CD2-CD1 4.35Å; L8-I259 HydrophobicContact CB-CD1 3.73Å; L8-I259 HydrophobicContact CD1-CD1 3.53Å; L8-I259 HydrophobicContact CG-CD1 4.25Å
9R97.9Very high95.8Very high90 Ų9043.2 Ų43.234%0.3422%0.215SC..THydrogen-bonded Turntrans-60.6-17.8179.7-70.3171178.6-83.2-0.8114.1L5 S7 Y11 T12 V14 Y27 Q28L5-R9 WeakPolarHBondContact O-CG 3.4Å; L5-R9 PolarHBondContact O-N 3.26Å; S7-R9 VanDerWaalsContact C-N 3.3Å; S7-R9 PolarHBondContact O-N 3.01Å; R9-Y11 VanDerWaalsContact C-N 3.27Å; R9-Y11 PolarHBondContact O-N 2.86Å; R9-T12 WeakPolarHBondContact CA-O 3.4Å; R9-V14 HydrophobicContact CG-CB 4.43Å; R9-V14 HydrophobicContact CG-CG2 3.69Å; R9-Y27 PolarHBondContact NH2-O 3.07Å; R9-Q28 PolarHBondContact NH1-O 3.02Å; R9-Q28 VanDerWaalsContact NH1-O 3.11Å; R9-Q28 PolarHBondContact NH2-O 3.07Å
10Q97.3Very high95.6Very high123 Ų12343.4 Ų43.458%0.57522%0.217SC*.THydrogen-bonded Turntrans-71.5-24.2176.4-59.4-1797.100112.6S7 L8S7-Q10 WeakPolarHBondContact O-CB 3.38Å; S7-Q10 WeakPolarHBondContact O-CG 3.28Å; S7-Q10 PolarHBondContact O-N 3.42Å; L8-Q10 PolarHBondContact O-N 2.83Å
11Y97.4Very high95.4Very high80 Ų8043.1 Ų43.131%0.31422%0.216SC..THydrogen-bonded Turntrans-119.8-26.3-173-49-58.3000113.4L8 R9 I259 R261L8-Y11 PolarHBondContact O-N 3.5Å; R9-Y11 VanDerWaalsContact C-N 3.27Å; R9-Y11 PolarHBondContact O-N 2.86Å; Y11-I259 HydrophobicContact CD2-CD1 4.3Å; Y11-I259 HydrophobicContact CD2-CG1 4.03Å; Y11-I259 HydrophobicContact CE2-CG1 3.93Å; Y11-I259 WeakPolarHBondContact CE2-O 3.25Å; Y11-R261 HydrophobicContact CD1-CB 3.85Å; Y11-R261 HydrophobicContact CD1-CG 4.05Å; Y11-R261 HydrophobicContact CD2-CB 4.13Å; Y11-R261 HydrophobicContact CE1-CB 4Å; Y11-R261 HydrophobicContact CE2-CB 4.28Å; Y11-R261 HydrophobicContact CG-CB 3.9Å; Y11-R261 HydrophobicContact CG-CG 4.05Å
12T98.7Very high96.6Very high4 Ų436.8 Ų36.83%0.02519%0.194CC..SBendtrans-139.4137.3-170.1-71.20000110.5L8 R9 V14 G238 C239 L242L8-T12 HydrophobicContact CD1-CG2 4.44Å; L8-T12 PolarHBondContact O-N 2.76Å; R9-T12 WeakPolarHBondContact CA-O 3.4Å; T12-V14 PolarHBondContact O-N 2.63Å; T12-G238 WeakPolarHBondContact OG1-CA 3.46Å; T12-G238 PolarHBondContact OG1-N 2.9Å; T12-C239 WeakPolarHBondContact CB-O 3.42Å; T12-C239 WeakPolarHBondContact CG2-O 3.46Å; T12-C239 PolarHBondContact OG1-N 3.04Å; T12-C239 PolarHBondContact OG1-O 3.3Å; T12-L242 HydrophobicContact CG2-CB 4.12Å; T12-L242 HydrophobicContact CG2-CD1 3.81Å; T12-L242 HydrophobicContact CG2-CG 3.62Å
13T98.7Very high96.7Very high52 Ų5233.8 Ų33.832%0.31918%0.176SC..EExtended strand (participates in β ladder)trans-73.5122.4173.4-63.10000110.1V15 Q30 D240 R241 L242T13-V15 HydrophobicContact CG2-CG2 4.47Å; T13-Q30 HydrophobicContact CG2-CB 3.45Å; T13-Q30 VanDerWaalsContact CG2-CB 3.45Å; T13-Q30 HydrophobicContact CG2-CG 3.55Å; T13-D240 PolarHBondContact N-O 3.39Å; T13-R241 HydrophobicContact CG2-CG 4.32Å; T13-R241 VanDerWaalsContact O-CA 3.3Å; T13-R241 WeakPolarHBondContact O-CA 3.22Å; T13-L242 PolarHBondContact O-N 3.17Å; T13-L242 VanDerWaalsContact O-N 3.1Å
14V98.6Very high96.5Very high2 Ų232.1 Ų32.11%0.01217%0.167CC..EExtended strand (participates in β ladder)trans-85.1124.6178.8175.60000110.5L5 L8 R9 T12 Q30 I244 L249L5-V14 HydrophobicContact CD1-CG1 4.16Å; L5-V14 HydrophobicContact CD1-CG2 4.06Å; L8-V14 HydrophobicContact CD2-CG2 4.07Å; L8-V14 HydrophobicContact CG-CG2 4.3Å; R9-V14 HydrophobicContact CG-CB 4.43Å; R9-V14 HydrophobicContact CG-CG2 3.69Å; T12-V14 PolarHBondContact O-N 2.63Å; V14-Q30 PolarHBondContact O-N 3.12Å; V14-I244 HydrophobicContact CG1-CD1 4.49Å; V14-L249 HydrophobicContact CG1-CD2 3.75Å
15V98.8Very high96.3Very high1 Ų136 Ų361%0.00618%0.184CC..EExtended strand (participates in β ladder)trans-115.6143.3175.3178.90000108.1T13 D31 T33 M223 R241 L242 T243 I244T13-V15 HydrophobicContact CG2-CG2 4.47Å; V15-D31 WeakPolarHBondContact CA-O 3.26Å; V15-D31 HydrophobicContact CB-CB 4.41Å; V15-D31 HydrophobicContact CG1-CB 3.96Å; V15-D31 WeakPolarHBondContact CG1-O 3.31Å; V15-D31 HydrophobicContact CG2-CB 3.85Å; V15-T33 HydrophobicContact CG1-CG2 4Å; V15-M223 HydrophobicContact CB-SD 3.95Å; V15-M223 HydrophobicContact CG1-SD 3.94Å; V15-M223 HydrophobicContact CG2-SD 3.76Å; V15-R241 HydrophobicContact CG2-CB 4.2Å; V15-L242 PolarHBondContact N-O 3.01Å; V15-T243 WeakPolarHBondContact CG1-OG1 3.48Å; V15-T243 WeakPolarHBondContact O-CA 3.4Å; V15-I244 PolarHBondContact O-N 2.77Å
16A98.4Very high96.2Very high0 Ų041.1 Ų41.10%021%0.211CC..EExtended strand (participates in β ladder)trans-96.4130.8176.700000111.8T18 M24 P29 D31 A32 T33 L249A16-T18 HydrophobicContact CB-CG2 4.36Å; A16-T18 PolarHBondContact O-N 3Å; A16-M24 HydrophobicContact CB-CE 3.4Å; A16-M24 VanDerWaalsContact CB-CE 3.4Å; A16-M24 HydrophobicContact CB-SD 3.79Å; A16-P29 HydrophobicContact CB-CB 3.83Å; A16-P29 HydrophobicContact CB-CG 3.59Å; A16-D31 PolarHBondContact N-O 3.34Å; A16-A32 CarbonylContact O-C 3.57Å; A16-A32 VanDerWaalsContact O-CA 3.31Å; A16-A32 WeakPolarHBondContact O-CA 3.44Å; A16-T33 PolarHBondContact O-N 2.93Å; A16-L249 HydrophobicContact CB-CD1 4.21Å
17D97.8Very high96.2Very high25 Ų2539.3 Ų39.313%0.13420%0.197CC..EExtended strand (participates in β ladder)trans-95.572.4177.9-164.431.6000110.4T33 L38 T243 I244D17-T33 PolarHBondContact OD1-OG1 2.91Å; D17-L38 VanDerWaalsContact OD1-CD1 3.24Å; D17-L38 WeakPolarHBondContact OD1-CD1 3.47Å; D17-T243 HydrophobicContact CB-CG2 4.39Å; D17-T243 WeakPolarHBondContact CB-OG1 3.34Å; D17-T243 PolarHBondContact N-OG1 3.43Å; D17-I244 PolarHBondContact N-O 2.81Å
18T96.9Very high96.1Very high16 Ų1646.1 Ų46.110%0.09823%0.228CC..  trans-164.6154.3-179.4-173.50000112.6A16 D20 A23 M24 T33 P246A16-T18 HydrophobicContact CB-CG2 4.36Å; A16-T18 PolarHBondContact O-N 3Å; T18-D20 HydrophobicContact CG2-CB 4.31Å; T18-D20 WeakPolarHBondContact OG1-CB 3.37Å; T18-D20 PolarHBondContact OG1-N 3.14Å; T18-A23 HydrophobicContact CG2-CB 3.9Å; T18-M24 HydrophobicContact CG2-CE 3.38Å; T18-M24 WeakPolarHBondContact O-CE 3.38Å; T18-T33 PolarHBondContact N-O 3.36Å; T18-P246 HydrophobicContact CG2-CG 3.75Å
19G93.3Very high96.1Very high1 Ų146.2 Ų46.21%0.0123%0.229CC..SBendtrans-87.3-1.7165.400000114Y48G19-Y48 VanDerWaalsContact O-CE1 3.29Å; G19-Y48 WeakPolarHBondContact O-CE1 3.48Å; G19-Y48 PolarHBondContact O-OH 3Å
20D93.1Very high96.1Very high47 Ų4745.7 Ų45.725%0.25123%0.23SC..  trans-85.7115.4-174.4-179.98.4000113.2T18 A22 A23 M24 I45T18-D20 HydrophobicContact CG2-CB 4.31Å; T18-D20 WeakPolarHBondContact OG1-CB 3.37Å; T18-D20 PolarHBondContact OG1-N 3.14Å; D20-A22 VanDerWaalsContact C-N 3.28Å; D20-A22 PolarHBondContact O-N 3.02Å; D20-A22 VanDerWaalsContact OD1-CB 3.3Å; D20-A22 WeakPolarHBondContact OD1-CB 3.36Å; D20-A22 PolarHBondContact OD1-N 3.3Å; D20-A23 HydrophobicContact CB-CB 4.49Å; D20-A23 PolarHBondContact O-N 3.06Å; D20-M24 PolarHBondContact O-N 3.06Å; D20-I45 HydrophobicContact CB-CD1 4.1Å
21I91.5Very high96.2Very high38 Ų3840 Ų4020%0.19520%0.204CC..Hα-helixtrans-65.6-24.9177.658.9177.8000113.4M24 K25 Y48 E84 I85 L88I21-M24 WeakPolarHBondContact O-CB 3.26Å; I21-M24 PolarHBondContact O-N 3.11Å; I21-K25 PolarHBondContact O-N 2.91Å; I21-K25 VanDerWaalsContact O-N 3.16Å; I21-Y48 HydrophobicContact CD1-CE2 3.75Å; I21-Y48 HydrophobicContact CG1-CE2 3.79Å; I21-Y48 WeakPolarHBondContact CG1-OH 3.41Å; I21-Y48 WeakPolarHBondContact CG2-OH 3.4Å; I21-Y48 PolarHBondContact N-OH 2.86Å; I21-E84 HydrophobicContact CG2-CB 4.02Å; I21-I85 HydrophobicContact CG2-CG1 4.3Å; I21-L88 HydrophobicContact CB-CD1 3.76Å; I21-L88 HydrophobicContact CG2-CD1 3.94Å
22A92.8Very high96.2Very high57 Ų5736.3 Ų36.347%0.47119%0.189SC..Hα-helixtrans-67.7-42178.200000110.6D20 M24 K25 L26D20-A22 VanDerWaalsContact C-N 3.28Å; D20-A22 PolarHBondContact O-N 3.02Å; D20-A22 VanDerWaalsContact OD1-CB 3.3Å; D20-A22 WeakPolarHBondContact OD1-CB 3.36Å; D20-A22 PolarHBondContact OD1-N 3.3Å; A22-M24 VanDerWaalsContact C-N 3.31Å; A22-M24 PolarHBondContact O-N 3.43Å; A22-K25 PolarHBondContact O-N 3.31Å; A22-L26 PolarHBondContact O-N 3.14Å
23A92.6Very high96.2Very high6 Ų636.3 Ų36.35%0.0519%0.189CC..Hα-helixtrans-61.5-38.4173.500000112.2T18 D20 K25 L26 Y27 P246T18-A23 HydrophobicContact CG2-CB 3.9Å; D20-A23 HydrophobicContact CB-CB 4.49Å; D20-A23 PolarHBondContact O-N 3.06Å; A23-K25 PolarHBondContact O-N 3.21Å; A23-L26 PolarHBondContact O-N 2.9Å; A23-Y27 HydrophobicContact CB-CD2 4.36Å; A23-Y27 WeakPolarHBondContact O-CD2 3.48Å; A23-Y27 PolarHBondContact O-N 3.25Å; A23-P246 HydrophobicContact CB-CB 4.05Å; A23-P246 HydrophobicContact CB-CG 3.76Å
24M93.6Very high96.2Very high2 Ų233.9 Ų33.91%0.0118%0.175CC..Hα-helixtrans-61-44.7176.2-58.7-63.8148.700111.7A16 T18 D20 I21 A22 Q28 P29 A32 I85 L88 V89A16-M24 HydrophobicContact CB-CE 3.4Å; A16-M24 VanDerWaalsContact CB-CE 3.4Å; A16-M24 HydrophobicContact CB-SD 3.79Å; T18-M24 HydrophobicContact CG2-CE 3.38Å; T18-M24 WeakPolarHBondContact O-CE 3.38Å; D20-M24 PolarHBondContact O-N 3.06Å; I21-M24 WeakPolarHBondContact O-CB 3.26Å; I21-M24 PolarHBondContact O-N 3.11Å; A22-M24 VanDerWaalsContact C-N 3.31Å; A22-M24 PolarHBondContact O-N 3.43Å; M24-Q28 WeakPolarHBondContact O-CA 3.29Å; M24-Q28 PolarHBondContact O-N 3.23Å; M24-P29 WeakPolarHBondContact O-CD 3.09Å; M24-P29 HydrophobicContact SD-CG 3.5Å; M24-P29 WeakPolarHBondContact SD-CG 3.41Å; M24-A32 HydrophobicContact CE-CB 3.69Å; M24-A32 HydrophobicContact SD-CB 3.96Å; M24-I85 HydrophobicContact CE-CG2 4.49Å; M24-I85 HydrophobicContact CG-CG2 4.31Å; M24-I85 HydrophobicContact SD-CG2 4.14Å; M24-L88 HydrophobicContact CB-CB 4.03Å; M24-L88 HydrophobicContact CB-CD1 3.86Å; M24-V89 HydrophobicContact SD-CG1 3.75Å
25K94.1Very high96.1Very high135 Ų13534.3 Ų34.359%0.58718%0.177SC*.Hα-helixtrans-64.3-40.7177.8-70.7176-178.5176.80112.2I21 A22 A23 L88I21-K25 PolarHBondContact O-N 2.91Å; I21-K25 VanDerWaalsContact O-N 3.16Å; A22-K25 PolarHBondContact O-N 3.31Å; A23-K25 PolarHBondContact O-N 3.21Å; K25-L88 HydrophobicContact CG-CD1 4.14Å; K25-L88 HydrophobicContact CG-CD2 4.04Å
26L95.7Very high96.1Very high115 Ų11534.6 Ų34.660%0.60218%0.179SC*.Hα-helixtrans-72-47.4-176.1-176.258000111.8A22 A23A22-L26 PolarHBondContact O-N 3.14Å; A23-L26 PolarHBondContact O-N 2.9Å
27Y96.5Very high96Very high29 Ų2935.8 Ų35.811%0.11419%0.187CC..Hα-helixtrans-100.2-11.2-171.2-58.2-62.5000114.5L5 R9 A23 L249 K250 A253L5-Y27 HydrophobicContact CD2-CD1 3.98Å; R9-Y27 PolarHBondContact NH2-O 3.07Å; A23-Y27 HydrophobicContact CB-CD2 4.36Å; A23-Y27 WeakPolarHBondContact O-CD2 3.48Å; A23-Y27 PolarHBondContact O-N 3.25Å; Y27-L249 HydrophobicContact CD1-CB 3.96Å; Y27-L249 HydrophobicContact CD2-CB 3.77Å; Y27-L249 HydrophobicContact CD2-CD1 3.77Å; Y27-L249 HydrophobicContact CD2-CG 4.41Å; Y27-L249 HydrophobicContact CE1-CB 4.13Å; Y27-L249 HydrophobicContact CE2-CB 3.94Å; Y27-L249 HydrophobicContact CG-CB 3.8Å; Y27-L249 HydrophobicContact CG-CD1 3.99Å; Y27-L249 HydrophobicContact CG-CG 4.43Å; Y27-K250 VanDerWaalsContact OH-CA 3.3Å; Y27-K250 WeakPolarHBondContact OH-CA 3.47Å; Y27-K250 WeakPolarHBondContact OH-CB 3.22Å; Y27-K250 WeakPolarHBondContact OH-CG 3.22Å; Y27-A253 HydrophobicContact CE1-CB 4.25Å
28Q96.4Very high96Very high145 Ų14535.9 Ų35.968%0.67819%0.187SC*.  trans46.559.7177.1-61.4173.663.900112.9R9 M24R9-Q28 PolarHBondContact NH1-O 3.02Å; R9-Q28 VanDerWaalsContact NH1-O 3.11Å; R9-Q28 PolarHBondContact NH2-O 3.07Å; M24-Q28 WeakPolarHBondContact O-CA 3.29Å; M24-Q28 PolarHBondContact O-N 3.23Å
29P97.9Very high96.1Very high2 Ų235.4 Ų35.41%0.01318%0.184CC..  trans-71.3158.9176.735-37.6000110.9A16 M24 D31 V89A16-P29 HydrophobicContact CB-CB 3.83Å; A16-P29 HydrophobicContact CB-CG 3.59Å; M24-P29 WeakPolarHBondContact O-CD 3.09Å; M24-P29 HydrophobicContact SD-CG 3.5Å; M24-P29 WeakPolarHBondContact SD-CG 3.41Å; P29-D31 WeakPolarHBondContact CB-O 3.34Å; P29-V89 HydrophobicContact CG-CG1 3.99Å
30Q98.4Very high96.3Very high80 Ų8035.9 Ų35.937%0.37419%0.187SC..SBendtrans-70.5-42.3176.5175.460.246.100111.6T13 V14 P90 G91T13-Q30 HydrophobicContact CG2-CB 3.45Å; T13-Q30 VanDerWaalsContact CG2-CB 3.45Å; T13-Q30 HydrophobicContact CG2-CG 3.55Å; V14-Q30 PolarHBondContact O-N 3.12Å; Q30-P90 WeakPolarHBondContact O-CD 3.42Å; Q30-G91 VanDerWaalsContact O-CA 3.24Å; Q30-G91 WeakPolarHBondContact O-CA 3.5Å; Q30-G91 PolarHBondContact O-N 2.71Å
31D98.5Very high96.4Very high4 Ų438.2 Ų38.22%0.02120%0.199CC..EExtended strand (participates in β ladder)trans-136.1175.8-178.2-49-61.2000109.6V15 A16 P29 G91 R92 R241V15-D31 WeakPolarHBondContact CA-O 3.26Å; V15-D31 HydrophobicContact CB-CB 4.41Å; V15-D31 HydrophobicContact CG1-CB 3.96Å; V15-D31 WeakPolarHBondContact CG1-O 3.31Å; V15-D31 HydrophobicContact CG2-CB 3.85Å; A16-D31 PolarHBondContact N-O 3.34Å; P29-D31 WeakPolarHBondContact CB-O 3.34Å; D31-G91 WeakPolarHBondContact OD1-CA 3.21Å; D31-R92 CarbonylContact C-O 3.41Å; D31-R92 VanDerWaalsContact CA-O 3.31Å; D31-R92 WeakPolarHBondContact CA-O 3.45Å; D31-R92 VanDerWaalsContact CB-O 3.3Å; D31-R92 WeakPolarHBondContact CB-O 3.2Å; D31-R92 PolarHBondContact OD1-N 3.47Å; D31-R241 IonicContact OD1-NH1 2.78Å; D31-R241 IonicContact OD2-CZ 3.59Å; D31-R241 IonicContact OD2-NE 3.98Å; D31-R241 IonicContact OD2-NH1 2.59Å; D31-R241 PolarHBondContact OD2-NH1 2.83Å; D31-R241 IonicContact OD2-NH2 3.07Å
32A98.5Very high96.6Very high1 Ų136.5 Ų36.51%0.00819%0.191CC..EExtended strand (participates in β ladder)trans-136.5149.5170.300000112.6A16 M24 I85 R92 I93 S94A16-A32 CarbonylContact O-C 3.57Å; A16-A32 VanDerWaalsContact O-CA 3.31Å; A16-A32 WeakPolarHBondContact O-CA 3.44Å; M24-A32 HydrophobicContact CE-CB 3.69Å; M24-A32 HydrophobicContact SD-CB 3.96Å; A32-I85 HydrophobicContact CB-CG2 3.52Å; A32-R92 PolarHBondContact N-O 3.38Å; A32-I93 HydrophobicContact CB-CD1 3.85Å; A32-S94 PolarHBondContact O-N 3.37Å
33T98.5Very high96.7Very high4 Ų434.2 Ų34.23%0.02517%0.172CC..EExtended strand (participates in β ladder)trans-115139.2169.454.20000111.4V15 A16 D17 T18 M223 T243V15-T33 HydrophobicContact CG1-CG2 4Å; A16-T33 PolarHBondContact O-N 2.93Å; D17-T33 PolarHBondContact OD1-OG1 2.91Å; T18-T33 PolarHBondContact N-O 3.36Å; T33-M223 HydrophobicContact CG2-CE 3.39Å; T33-M223 HydrophobicContact CG2-SD 4.41Å; T33-T243 HydrophobicContact CG2-CG2 4.33Å; T33-T243 PolarHBondContact OG1-OG1 3.18Å
34T98Very high96.8Very high2 Ų239.6 Ų39.61%0.01220%0.196CC..  trans-118.7168.4167.163.80000110.4I39 I85 I93 S94 K132T34-I39 HydrophobicContact CG2-CD1 3.86Å; T34-I85 HydrophobicContact CG2-CD1 4.21Å; T34-I93 HydrophobicContact CG2-CD1 4.04Å; T34-S94 PolarHBondContact N-O 2.87Å; T34-S94 PolarHBondContact OG1-O 2.59Å; T34-K132 PolarHBondContact O-NZ 3.41Å
35N97.8Very high96.8Very high11 Ų1141.5 Ų41.56%0.05921%0.205CC..  trans-156.1170.1172.263.552.3000107.5S37 L38 I39 E96 F302N35-S37 VanDerWaalsContact C-N 3.28Å; N35-S37 PolarHBondContact O-N 2.78Å; N35-S37 WeakPolarHBondContact OD1-CA 3.36Å; N35-S37 VanDerWaalsContact OD1-CB 3.28Å; N35-S37 WeakPolarHBondContact OD1-CB 3.49Å; N35-S37 PolarHBondContact OD1-N 3.38Å; N35-L38 WeakPolarHBondContact ND2-CD1 3.32Å; N35-L38 PolarHBondContact O-N 2.68Å; N35-L38 WeakPolarHBondContact OD1-CG 3.37Å; N35-L38 PolarHBondContact OD1-N 2.78Å; N35-I39 WeakPolarHBondContact O-CG1 3.47Å; N35-I39 PolarHBondContact O-N 2.74Å; N35-E96 VanDerWaalsContact CA-OE2 3.32Å; N35-E96 WeakPolarHBondContact CA-OE2 3.29Å; N35-E96 WeakPolarHBondContact CB-OE2 3.37Å; N35-F302 HydrophobicContact CB-CE1 4.09Å; N35-F302 HydrophobicContact CB-CE2 4.27Å; N35-F302 HydrophobicContact CB-CZ 3.83Å
36P97.2Very high96.7Very high7 Ų740.1 Ų40.15%0.04521%0.211CC..Hα-helixtrans-54.1-40.8-178.3-31.139.2000114.1L38 I39 L40 F302 Q306P36-L38 PolarHBondContact O-N 3.03Å; P36-I39 PolarHBondContact O-N 3.34Å; P36-L40 VanDerWaalsContact O-CB 3.29Å; P36-L40 WeakPolarHBondContact O-CB 3.43Å; P36-L40 PolarHBondContact O-N 3.33Å; P36-F302 HydrophobicContact CB-CB 4.45Å; P36-F302 WeakPolarHBondContact CB-O 3.26Å; P36-F302 HydrophobicContact CG-CB 4.07Å; P36-F302 HydrophobicContact CG-CG 4.4Å; P36-Q306 HydrophobicContact CB-CB 4.22Å
37S97.7Very high96.5Very high24 Ų2440.7 Ų40.717%0.16821%0.21CC..Hα-helixtrans-63.5-40.2177-460000112.4N35 N41 D305N35-S37 VanDerWaalsContact C-N 3.28Å; N35-S37 PolarHBondContact O-N 2.78Å; N35-S37 WeakPolarHBondContact OD1-CA 3.36Å; N35-S37 VanDerWaalsContact OD1-CB 3.28Å; N35-S37 WeakPolarHBondContact OD1-CB 3.49Å; N35-S37 PolarHBondContact OD1-N 3.38Å; S37-N41 WeakPolarHBondContact O-CB 3.48Å; S37-N41 PolarHBondContact O-N 3.18Å; S37-N41 PolarHBondContact O-ND2 2.79Å; S37-D305 WeakPolarHBondContact CB-OD2 3.5Å; S37-D305 PolarHBondContact OG-OD2 3.05Å
38L97.7Very high96.3Very high27 Ų2739.5 Ų39.514%0.14121%0.205CC..Hα-helixtrans-71.5-37.6178.8-66.5176.9000112.3D17 N35 P36 N41 A42D17-L38 VanDerWaalsContact OD1-CD1 3.24Å; D17-L38 WeakPolarHBondContact OD1-CD1 3.47Å; N35-L38 WeakPolarHBondContact ND2-CD1 3.32Å; N35-L38 PolarHBondContact O-N 2.68Å; N35-L38 WeakPolarHBondContact OD1-CG 3.37Å; N35-L38 PolarHBondContact OD1-N 2.78Å; P36-L38 PolarHBondContact O-N 3.03Å; L38-N41 PolarHBondContact O-N 3.36Å; L38-A42 VanDerWaalsContact O-CB 3.23Å; L38-A42 WeakPolarHBondContact O-CB 3.29Å; L38-A42 PolarHBondContact O-N 3.15Å
39I97.8Very high96.2Very high6 Ų637.8 Ų37.83%0.03119%0.193CC..Hα-helixtrans-66.5-43.7173.7-61.9-57.3000110.2T34 N35 P36 N41 A42 A43 A78 I81 L309T34-I39 HydrophobicContact CG2-CD1 3.86Å; N35-I39 WeakPolarHBondContact O-CG1 3.47Å; N35-I39 PolarHBondContact O-N 2.74Å; P36-I39 PolarHBondContact O-N 3.34Å; I39-N41 VanDerWaalsContact C-N 3.33Å; I39-N41 PolarHBondContact O-N 3.37Å; I39-A42 PolarHBondContact O-N 2.88Å; I39-A43 WeakPolarHBondContact O-CB 3.45Å; I39-A43 PolarHBondContact O-N 3.42Å; I39-A78 HydrophobicContact CD1-CB 4.5Å; I39-A78 HydrophobicContact CG1-CB 4.44Å; I39-I81 HydrophobicContact CD1-CB 4.33Å; I39-I81 HydrophobicContact CD1-CD1 4.04Å; I39-I81 HydrophobicContact CD1-CG2 4.1Å; I39-I81 HydrophobicContact CG2-CD1 4.03Å; I39-L309 HydrophobicContact CB-CD2 4.33Å; I39-L309 HydrophobicContact CG2-CD2 3.54Å
40L97.3Very high96.2Very high12 Ų1244.3 Ų44.36%0.06322%0.221CC..Hα-helixtrans-59.1-42.9175.4175.663.3000112.3P36 Q44 D305 K308 L309 M312P36-L40 VanDerWaalsContact O-CB 3.29Å; P36-L40 WeakPolarHBondContact O-CB 3.43Å; P36-L40 PolarHBondContact O-N 3.33Å; L40-Q44 PolarHBondContact O-NE2 3.08Å; L40-Q44 VanDerWaalsContact O-NE2 3.09Å; L40-D305 HydrophobicContact CD2-CB 3.96Å; L40-K308 HydrophobicContact CD1-CB 4.16Å; L40-K308 HydrophobicContact CD2-CB 3.87Å; L40-K308 HydrophobicContact CD2-CD 3.86Å; L40-L309 HydrophobicContact CD1-CB 4.11Å; L40-L309 HydrophobicContact CD1-CD1 4.42Å; L40-M312 HydrophobicContact CD1-CE 4.07Å
41N96.3Very high96.1Very high95 Ų9541.1 Ų41.151%0.50821%0.206SC..Hα-helixtrans-67-43176.1-71.8-19.1000111.3S37 L38 I39 A43 Q44S37-N41 WeakPolarHBondContact O-CB 3.48Å; S37-N41 PolarHBondContact O-N 3.18Å; S37-N41 PolarHBondContact O-ND2 2.79Å; L38-N41 PolarHBondContact O-N 3.36Å; I39-N41 VanDerWaalsContact C-N 3.33Å; I39-N41 PolarHBondContact O-N 3.37Å; N41-A43 VanDerWaalsContact C-N 3.32Å; N41-A43 PolarHBondContact O-N 3.06Å; N41-Q44 WeakPolarHBondContact O-CB 3.41Å; N41-Q44 PolarHBondContact O-N 3.47Å
42A95.2Very high96.1Very high3 Ų341.1 Ų41.13%0.02521%0.206CC..Hα-helixtrans-65.7-34.1178.600000112.6L38 I39 Q44 I45 Y48 I81L38-A42 VanDerWaalsContact O-CB 3.23Å; L38-A42 WeakPolarHBondContact O-CB 3.29Å; L38-A42 PolarHBondContact O-N 3.15Å; I39-A42 PolarHBondContact O-N 2.88Å; A42-Q44 PolarHBondContact O-N 3.14Å; A42-I45 HydrophobicContact CB-CD1 4.45Å; A42-I45 VanDerWaalsContact O-CB 3.27Å; A42-I45 WeakPolarHBondContact O-CB 2.83Å; A42-I45 WeakPolarHBondContact O-CG1 3.48Å; A42-I45 PolarHBondContact O-N 2.89Å; A42-Y48 HydrophobicContact CB-CD1 3.95Å; A42-Y48 HydrophobicContact CB-CE1 3.71Å; A42-Y48 VanDerWaalsContact O-CD1 3.27Å; A42-Y48 WeakPolarHBondContact O-CD1 3.36Å; A42-I81 HydrophobicContact CB-CD1 4.19Å
43A94.7Very high96Very high9 Ų944.4 Ų44.47%0.07422%0.224CC..THydrogen-bonded Turntrans-63.4-18.6175.600000113.5I39 N41 I45 I52 L77 L309 M312I39-A43 WeakPolarHBondContact O-CB 3.45Å; I39-A43 PolarHBondContact O-N 3.42Å; N41-A43 VanDerWaalsContact C-N 3.32Å; N41-A43 PolarHBondContact O-N 3.06Å; A43-I45 VanDerWaalsContact C-N 3.35Å; A43-I52 HydrophobicContact CB-CD1 4.09Å; A43-I52 WeakPolarHBondContact O-CD1 3.22Å; A43-L77 HydrophobicContact CB-CD2 4.28Å; A43-L309 HydrophobicContact CB-CD1 3.92Å; A43-M312 HydrophobicContact CB-SD 4.02Å
44Q94.4Very high96Very high118 Ų11847.9 Ų47.955%0.55124%0.242SC*.THydrogen-bonded Turntrans-85.8-8.7175.9-64.416956.200112.9L40 N41 A42 M312L40-Q44 PolarHBondContact O-NE2 3.08Å; L40-Q44 VanDerWaalsContact O-NE2 3.09Å; N41-Q44 WeakPolarHBondContact O-CB 3.41Å; N41-Q44 PolarHBondContact O-N 3.47Å; A42-Q44 PolarHBondContact O-N 3.14Å; Q44-M312 HydrophobicContact CG-CE 3.9Å
45I93.4Very high96.1Very high42 Ų4247.8 Ų47.822%0.21524%0.242CC..SBendtrans-74.4122.6177.1-61174.8000108.4D20 A42 A43 E47 Y48D20-I45 HydrophobicContact CB-CD1 4.1Å; A42-I45 HydrophobicContact CB-CD1 4.45Å; A42-I45 VanDerWaalsContact O-CB 3.27Å; A42-I45 WeakPolarHBondContact O-CB 2.83Å; A42-I45 WeakPolarHBondContact O-CG1 3.48Å; A42-I45 PolarHBondContact O-N 2.89Å; A43-I45 VanDerWaalsContact C-N 3.35Å; I45-E47 HydrophobicContact CG2-CB 4.26Å; I45-E47 WeakPolarHBondContact CG2-OE2 3.42Å; I45-E47 PolarHBondContact O-N 2.85Å; I45-E47 VanDerWaalsContact O-N 3.13Å; I45-Y48 HydrophobicContact CB-CD2 4.23Å; I45-Y48 HydrophobicContact CB-CG 4.3Å; I45-Y48 HydrophobicContact CG2-CD2 4.06Å; I45-Y48 HydrophobicContact CG2-CE2 4.38Å; I45-Y48 WeakPolarHBondContact O-CB 3.49Å; I45-Y48 PolarHBondContact O-N 3.47Å
46P92.5Very high96.1Very high107 Ų10747.8 Ų47.870%0.69524%0.242SC*.G310 helixtrans-54-36.9-175.1-29.236.3000114.5Y48 R49P46-Y48 PolarHBondContact O-N 3.19Å; P46-Y48 VanDerWaalsContact O-N 3.13Å; P46-R49 VanDerWaalsContact O-CB 3.29Å; P46-R49 WeakPolarHBondContact O-CB 3.47Å; P46-R49 PolarHBondContact O-N 3.14Å; P46-R49 VanDerWaalsContact O-N 3.17Å
47E91.2Very high96.1Very high127 Ų12749.8 Ų49.859%0.59326%0.259SS*.G310 helixtrans-62.6-19.1179.3-66.482.7171.700113.1I45I45-E47 HydrophobicContact CG2-CB 4.26Å; I45-E47 WeakPolarHBondContact CG2-OE2 3.42Å; I45-E47 PolarHBondContact O-N 2.85Å; I45-E47 VanDerWaalsContact O-N 3.13Å
48Y93.4Very high96.2Very high3 Ų351.3 Ų51.31%0.01226%0.261CS..G310 helixtrans-91.7-5.7-176.2-77.4-146.5000111.9G19 I21 A42 I45 P46 K50 L51 I52 I81G19-Y48 VanDerWaalsContact O-CE1 3.29Å; G19-Y48 WeakPolarHBondContact O-CE1 3.48Å; G19-Y48 PolarHBondContact O-OH 3Å; I21-Y48 HydrophobicContact CD1-CE2 3.75Å; I21-Y48 HydrophobicContact CG1-CE2 3.79Å; I21-Y48 WeakPolarHBondContact CG1-OH 3.41Å; I21-Y48 WeakPolarHBondContact CG2-OH 3.4Å; I21-Y48 PolarHBondContact N-OH 2.86Å; A42-Y48 HydrophobicContact CB-CD1 3.95Å; A42-Y48 HydrophobicContact CB-CE1 3.71Å; A42-Y48 VanDerWaalsContact O-CD1 3.27Å; A42-Y48 WeakPolarHBondContact O-CD1 3.36Å; I45-Y48 HydrophobicContact CB-CD2 4.23Å; I45-Y48 HydrophobicContact CB-CG 4.3Å; I45-Y48 HydrophobicContact CG2-CD2 4.06Å; I45-Y48 HydrophobicContact CG2-CE2 4.38Å; I45-Y48 WeakPolarHBondContact O-CB 3.49Å; I45-Y48 PolarHBondContact O-N 3.47Å; P46-Y48 PolarHBondContact O-N 3.19Å; P46-Y48 VanDerWaalsContact O-N 3.13Å; Y48-K50 PolarHBondContact O-N 2.98Å; Y48-K50 VanDerWaalsContact O-N 3.16Å; Y48-L51 HydrophobicContact CD1-CD1 4.07Å; Y48-L51 HydrophobicContact CD2-CD1 4.47Å; Y48-L51 HydrophobicContact CE1-CD1 4.45Å; Y48-L51 HydrophobicContact CG-CD1 4.06Å; Y48-L51 WeakPolarHBondContact O-CA 3.48Å; Y48-L51 VanDerWaalsContact O-CB 3.32Å; Y48-L51 WeakPolarHBondContact O-CB 3.36Å; Y48-L51 PolarHBondContact O-N 3.39Å; Y48-I52 PolarHBondContact O-N 2.99Å; Y48-I81 HydrophobicContact CD1-CD1 3.94Å; Y48-I81 HydrophobicContact CD1-CG1 3.8Å; Y48-I81 HydrophobicContact CE1-CD1 4.15Å; Y48-I81 HydrophobicContact CE1-CG1 3.83Å; Y48-I81 HydrophobicContact CE1-CG2 4.07Å
49R94.8Very high96.2Very high109 Ų10950 Ų5041%0.41126%0.255SS..Hα-helixtrans-52.2-41.8178.9-179.663-160.1-1636.7112.6P46 L51 I52 D53 L316P46-R49 VanDerWaalsContact O-CB 3.29Å; P46-R49 WeakPolarHBondContact O-CB 3.47Å; P46-R49 PolarHBondContact O-N 3.14Å; P46-R49 VanDerWaalsContact O-N 3.17Å; R49-L51 VanDerWaalsContact C-N 3.27Å; R49-L51 PolarHBondContact O-N 3.47Å; R49-I52 WeakPolarHBondContact O-CB 3.36Å; R49-I52 PolarHBondContact O-N 2.87Å; R49-I52 VanDerWaalsContact O-N 3.15Å; R49-D53 IonicContact CZ-OD1 2.94Å; R49-D53 IonicContact NE-OD1 3.69Å; R49-D53 PolarHBondContact NE-OD1 3Å; R49-D53 IonicContact NE-OD2 3.18Å; R49-D53 PolarHBondContact NE-OD2 3.15Å; R49-D53 IonicContact NH2-OD1 2.88Å; R49-D53 PolarHBondContact NH2-OD1 3.17Å; R49-D53 PolarHBondContact O-N 3.3Å; R49-L316 VanDerWaalsContact NH1-CD2 3.32Å
50K96.4Very high96.2Very high139 Ų13954 Ų5460%0.60427%0.272SS*.Hα-helixtrans-60.6-32.6176.165.1-177.4-1801750113.8Y48 D54Y48-K50 PolarHBondContact O-N 2.98Å; Y48-K50 VanDerWaalsContact O-N 3.16Å; K50-D54 WeakPolarHBondContact O-CB 3.36Å; K50-D54 PolarHBondContact O-N 2.86Å
51L97.6Very high96.2Very high13 Ų1360.7 Ų60.77%0.06830%0.303CS..Hα-helixtrans-73.9-34.9178.4-55.3-179.9000110.8Y48 R49 A55 L77 N80 I81 E84Y48-L51 HydrophobicContact CD1-CD1 4.07Å; Y48-L51 HydrophobicContact CD2-CD1 4.47Å; Y48-L51 HydrophobicContact CE1-CD1 4.45Å; Y48-L51 HydrophobicContact CG-CD1 4.06Å; Y48-L51 WeakPolarHBondContact O-CA 3.48Å; Y48-L51 VanDerWaalsContact O-CB 3.32Å; Y48-L51 WeakPolarHBondContact O-CB 3.36Å; Y48-L51 PolarHBondContact O-N 3.39Å; R49-L51 VanDerWaalsContact C-N 3.27Å; R49-L51 PolarHBondContact O-N 3.47Å; L51-A55 WeakPolarHBondContact O-CB 3.42Å; L51-A55 PolarHBondContact O-N 3.47Å; L51-A55 VanDerWaalsContact O-N 3.08Å; L51-L77 HydrophobicContact CB-CD1 4.1Å; L51-N80 HydrophobicContact CB-CB 4.18Å; L51-N80 HydrophobicContact CD2-CB 4.41Å; L51-N80 PolarHBondContact O-ND2 3.47Å; L51-N80 VanDerWaalsContact O-ND2 3.15Å; L51-I81 HydrophobicContact CD1-CG1 3.96Å; L51-E84 HydrophobicContact CD1-CG 3.92Å; L51-E84 HydrophobicContact CD2-CG 3.91Å
52I97.4Very high96.3Very high5 Ų561 Ų613%0.02630%0.301CS..Hα-helixtrans-68.2-48.9174.2-61170.7000110.1A43 Y48 R49 D54 A55 V56 L77 I313 L316A43-I52 HydrophobicContact CB-CD1 4.09Å; A43-I52 WeakPolarHBondContact O-CD1 3.22Å; Y48-I52 PolarHBondContact O-N 2.99Å; R49-I52 WeakPolarHBondContact O-CB 3.36Å; R49-I52 PolarHBondContact O-N 2.87Å; R49-I52 VanDerWaalsContact O-N 3.15Å; I52-D54 VanDerWaalsContact C-N 3.32Å; I52-D54 PolarHBondContact O-N 3.31Å; I52-A55 PolarHBondContact O-N 3.16Å; I52-A55 VanDerWaalsContact O-N 3.14Å; I52-V56 HydrophobicContact CG2-CG2 4.32Å; I52-V56 WeakPolarHBondContact O-CB 3.35Å; I52-V56 WeakPolarHBondContact O-CG2 3.3Å; I52-V56 PolarHBondContact O-N 3.15Å; I52-L77 HydrophobicContact CG1-CD1 3.71Å; I52-L77 HydrophobicContact CG1-CD2 4.01Å; I52-I313 HydrophobicContact CG2-CD1 3.66Å; I52-L316 HydrophobicContact CG2-CD1 3.46Å; I52-L316 VanDerWaalsContact CG2-CD1 3.46Å
53D97.7Very high96.3Very high69 Ų6962.4 Ų62.437%0.36931%0.311SS..Hα-helixtrans-61.5-41.1179.7-66.6-31.8000111.3R49 A57R49-D53 IonicContact CZ-OD1 2.94Å; R49-D53 IonicContact NE-OD1 3.69Å; R49-D53 PolarHBondContact NE-OD1 3Å; R49-D53 IonicContact NE-OD2 3.18Å; R49-D53 PolarHBondContact NE-OD2 3.15Å; R49-D53 IonicContact NH2-OD1 2.88Å; R49-D53 PolarHBondContact NH2-OD1 3.17Å; R49-D53 PolarHBondContact O-N 3.3Å; D53-A57 VanDerWaalsContact O-CB 3.25Å; D53-A57 WeakPolarHBondContact O-CB 3.46Å; D53-A57 PolarHBondContact O-N 2.76Å
54D98.3Very high96.4Very high78 Ų7870 Ų7042%0.41735%0.35SS..Hα-helixtrans-59.6-47.1171.9178.177.2000111.9K50 I52 V56 A57 W58 K76 N80K50-D54 WeakPolarHBondContact O-CB 3.36Å; K50-D54 PolarHBondContact O-N 2.86Å; I52-D54 VanDerWaalsContact C-N 3.32Å; I52-D54 PolarHBondContact O-N 3.31Å; D54-V56 PolarHBondContact O-N 3.27Å; D54-A57 PolarHBondContact O-N 2.96Å; D54-W58 VanDerWaalsContact O-CB 3.28Å; D54-W58 WeakPolarHBondContact O-CB 3.26Å; D54-W58 PolarHBondContact O-N 3.17Å; D54-K76 IonicContact OD2-NZ 3.95Å; D54-N80 PolarHBondContact OD2-ND2 3.2Å
55A98.4Very high96.6Very high0 Ų068.6 Ų68.60%035%0.346CS..Hα-helixtrans-64.2-41.2-179.100000112.8L51 I52 A59 A73 K76 L77L51-A55 WeakPolarHBondContact O-CB 3.42Å; L51-A55 PolarHBondContact O-N 3.47Å; L51-A55 VanDerWaalsContact O-N 3.08Å; I52-A55 PolarHBondContact O-N 3.16Å; I52-A55 VanDerWaalsContact O-N 3.14Å; A55-A59 VanDerWaalsContact O-CB 3.29Å; A55-A59 WeakPolarHBondContact O-CB 3.41Å; A55-A59 PolarHBondContact O-N 2.95Å; A55-A73 WeakPolarHBondContact CB-O 3.27Å; A55-K76 HydrophobicContact CB-CB 3.95Å; A55-K76 HydrophobicContact CB-CG 3.76Å; A55-L77 HydrophobicContact CB-CB 4Å
56V98.2Very high96.7Very high10 Ų1072.5 Ų72.56%0.06136%0.359CS..Hα-helixtrans-65.6-46.4175.61680000110.9I52 D54 W58 A59 K60 A73 I313 L316 L317I52-V56 HydrophobicContact CG2-CG2 4.32Å; I52-V56 WeakPolarHBondContact O-CB 3.35Å; I52-V56 WeakPolarHBondContact O-CG2 3.3Å; I52-V56 PolarHBondContact O-N 3.15Å; D54-V56 PolarHBondContact O-N 3.27Å; V56-W58 PolarHBondContact O-N 3.13Å; V56-A59 PolarHBondContact O-N 2.83Å; V56-K60 HydrophobicContact CG1-CD 4.48Å; V56-K60 WeakPolarHBondContact O-CG 3.48Å; V56-K60 PolarHBondContact O-N 2.99Å; V56-K60 VanDerWaalsContact O-N 3.07Å; V56-A73 HydrophobicContact CG2-CB 4.37Å; V56-I313 HydrophobicContact CG2-CD1 4.37Å; V56-I313 HydrophobicContact CG2-CG2 4.3Å; V56-L316 HydrophobicContact CG2-CB 4.34Å; V56-L317 HydrophobicContact CG1-CD2 3.83Å; V56-L317 HydrophobicContact CG1-CG 4.26Å
57A98.3Very high97Very high50 Ų5070.3 Ų70.341%0.41335%0.349SS..Hα-helixtrans-62.7-43178.600000111.7D53 D54 Q61D53-A57 VanDerWaalsContact O-CB 3.25Å; D53-A57 WeakPolarHBondContact O-CB 3.46Å; D53-A57 PolarHBondContact O-N 2.76Å; D54-A57 PolarHBondContact O-N 2.96Å; A57-Q61 WeakPolarHBondContact O-CG 3.43Å
58W98.5Very high97.3Very high55 Ų5567.6 Ų67.621%0.20834%0.336CS..Hα-helixtrans-60.4-50.2173.9179.383.2000111.1D54 V56 K60 Q61 Q62 D72 K76 L118D54-W58 VanDerWaalsContact O-CB 3.28Å; D54-W58 WeakPolarHBondContact O-CB 3.26Å; D54-W58 PolarHBondContact O-N 3.17Å; V56-W58 PolarHBondContact O-N 3.13Å; W58-K60 VanDerWaalsContact C-N 3.32Å; W58-K60 PolarHBondContact O-N 2.68Å; W58-Q61 WeakPolarHBondContact O-CB 3.35Å; W58-Q61 PolarHBondContact O-N 3.23Å; W58-Q62 HydrophobicContact CD2-CG 4.03Å; W58-Q62 HydrophobicContact CE3-CG 4.01Å; W58-Q62 HydrophobicContact CH2-CG 3.74Å; W58-Q62 HydrophobicContact CZ2-CG 3.75Å; W58-Q62 HydrophobicContact CZ3-CG 3.88Å; W58-Q62 WeakPolarHBondContact O-CG 3.43Å; W58-D72 HydrophobicContact CZ3-CB 3.9Å; W58-K76 HydrophobicContact CB-CG 4.3Å; W58-K76 HydrophobicContact CD2-CB 4.37Å; W58-K76 HydrophobicContact CD2-CD 4.12Å; W58-K76 HydrophobicContact CD2-CG 3.97Å; W58-K76 HydrophobicContact CE3-CB 3.61Å; W58-K76 HydrophobicContact CE3-CD 4.2Å; W58-K76 HydrophobicContact CE3-CG 3.7Å; W58-K76 HydrophobicContact CG-CD 4.37Å; W58-K76 HydrophobicContact CG-CG 4.23Å; W58-K76 HydrophobicContact CZ3-CB 3.89Å; W58-K76 HydrophobicContact CZ3-CG 4.38Å; W58-L118 HydrophobicContact CH2-CD2 3.45Å; W58-L118 VanDerWaalsContact CH2-CD2 3.45Å; W58-L118 HydrophobicContact CZ2-CD2 3.46Å; W58-L118 VanDerWaalsContact CZ2-CD2 3.46Å; W58-L118 HydrophobicContact CZ3-CD2 4.2Å
59A98.3Very high97.5Very high0 Ų068.5 Ų68.50%034%0.341CS..Hα-helixtrans-59.9-38.1-178.100000113.7A55 V56 Q61 Q62 Q69 D72 A73A55-A59 VanDerWaalsContact O-CB 3.29Å; A55-A59 WeakPolarHBondContact O-CB 3.41Å; A55-A59 PolarHBondContact O-N 2.95Å; V56-A59 PolarHBondContact O-N 2.83Å; A59-Q61 PolarHBondContact O-N 3.2Å; A59-Q61 VanDerWaalsContact O-N 3.16Å; A59-Q62 PolarHBondContact O-N 3.02Å; A59-Q69 WeakPolarHBondContact CB-O 3.3Å; A59-D72 HydrophobicContact CB-CB 3.73Å; A59-A73 HydrophobicContact CB-CB 3.64Å
60K98Very high97.7Very high90 Ų9065 Ų6539%0.39133%0.33SS..Hα-helixtrans-60.1-22.6175-74.1179.9-179.6-171.60113.4V56 W58 L317V56-K60 HydrophobicContact CG1-CD 4.48Å; V56-K60 WeakPolarHBondContact O-CG 3.48Å; V56-K60 PolarHBondContact O-N 2.99Å; V56-K60 VanDerWaalsContact O-N 3.07Å; W58-K60 VanDerWaalsContact C-N 3.32Å; W58-K60 PolarHBondContact O-N 2.68Å; K60-L317 HydrophobicContact CD-CD2 4.42Å; K60-L317 WeakPolarHBondContact CE-OXT 3.48Å; K60-L317 HydrophobicContact CG-CD2 3.86Å; K60-L317 PolarHBondContact NZ-OXT 2.67Å
61Q97.8Very high97.7Very high153 Ų15360.4 Ų60.472%0.71531%0.313SS*.Hα-helixtrans-86.1-16.6177.3-60.7173.61100112.8A57 W58 A59A57-Q61 WeakPolarHBondContact O-CG 3.43Å; W58-Q61 WeakPolarHBondContact O-CB 3.35Å; W58-Q61 PolarHBondContact O-N 3.23Å; A59-Q61 PolarHBondContact O-N 3.2Å; A59-Q61 VanDerWaalsContact O-N 3.16Å
62Q97.2Very high97.8Very high100 Ų10060 Ų6047%0.46731%0.311SS..Hα-helixtrans-88.5-31-173.9-57.2-53.5106.200113.3W58 A59 D72W58-Q62 HydrophobicContact CD2-CG 4.03Å; W58-Q62 HydrophobicContact CE3-CG 4.01Å; W58-Q62 HydrophobicContact CH2-CG 3.74Å; W58-Q62 HydrophobicContact CZ2-CG 3.75Å; W58-Q62 HydrophobicContact CZ3-CG 3.88Å; W58-Q62 WeakPolarHBondContact O-CG 3.43Å; A59-Q62 PolarHBondContact O-N 3.02Å; Q62-D72 VanDerWaalsContact CB-OD2 3.26Å; Q62-D72 WeakPolarHBondContact CB-OD2 3.29Å
63S96.7Very high97.8Very high34 Ų3459.8 Ų59.824%0.23831%0.31CS..  trans-154.2154-176.4-176.90000111.3D65 Q69S63-D65 PolarHBondContact OG-N 3.45Å; S63-Q69 PolarHBondContact O-NE2 3.24Å
64N96.3Very high97.9Very high168 Ų16856.7 Ų56.790%0.89829%0.294SS*.SBendtrans-91.1-7.7167.8-68.3-43000112.7
65D97.8Very high97.9Very high88 Ų8853.6 Ų53.647%0.47128%0.277SS..  trans-83.2121.8176.9174.554.1000110.7S63 A67 Q68 Q69S63-D65 PolarHBondContact OG-N 3.45Å; D65-A67 VanDerWaalsContact C-N 3.31Å; D65-A67 PolarHBondContact O-N 3.28Å; D65-A67 WeakPolarHBondContact OD2-CB 3.49Å; D65-A67 PolarHBondContact OD2-N 2.91Å; D65-Q68 HydrophobicContact CB-CB 4.08Å; D65-Q68 PolarHBondContact O-N 3.35Å; D65-Q68 WeakPolarHBondContact OD2-CB 3.24Å; D65-Q68 PolarHBondContact OD2-N 3.21Å; D65-Q69 WeakPolarHBondContact O-CG 3.47Å; D65-Q69 PolarHBondContact O-N 3.41Å
66R97Very high97.9Very high125 Ų12554.7 Ų54.747%0.47228%0.282SS..Hα-helixtrans-62.5-37.7-176.5-172.4179.5-175.485.6-2.1112Q69 I70 G314 L317R66-Q69 PolarHBondContact O-N 2.96Å; R66-I70 WeakPolarHBondContact O-CG1 3.2Å; R66-I70 PolarHBondContact O-N 2.7Å; R66-I70 VanDerWaalsContact O-N 3.12Å; R66-G314 PolarHBondContact NH2-O 3.06Å; R66-L317 VanDerWaalsContact CZ-O 3.24Å; R66-L317 PolarHBondContact NH1-O 3.46Å; R66-L317 PolarHBondContact NH2-O 3.28Å
67A96.9Very high97.9Very high60 Ų6054.2 Ų54.250%0.49628%0.279SS..Hα-helixtrans-65.6-44179.300000110.9D65 Q69 I70 V71D65-A67 VanDerWaalsContact C-N 3.31Å; D65-A67 PolarHBondContact O-N 3.28Å; D65-A67 WeakPolarHBondContact OD2-CB 3.49Å; D65-A67 PolarHBondContact OD2-N 2.91Å; A67-Q69 PolarHBondContact O-N 3.48Å; A67-I70 PolarHBondContact O-N 2.82Å; A67-V71 PolarHBondContact O-N 3.36Å
68Q97.8Very high97.9Very high70 Ų7052.6 Ų52.633%0.32727%0.265SS..Hα-helixtrans-62.6-40.4173.7-169.160.464.300112.2D65 I70 V71 D72D65-Q68 HydrophobicContact CB-CB 4.08Å; D65-Q68 PolarHBondContact O-N 3.35Å; D65-Q68 WeakPolarHBondContact OD2-CB 3.24Å; D65-Q68 PolarHBondContact OD2-N 3.21Å; Q68-I70 VanDerWaalsContact C-N 3.3Å; Q68-I70 PolarHBondContact O-N 3.27Å; Q68-V71 PolarHBondContact O-N 2.93Å; Q68-D72 PolarHBondContact NE2-OD1 3.47Å; Q68-D72 VanDerWaalsContact O-CB 3.3Å; Q68-D72 WeakPolarHBondContact O-CB 3.39Å; Q68-D72 PolarHBondContact O-N 3.2Å
69Q98.4Very high97.9Very high23 Ų2350 Ų5011%0.10726%0.256CS..Hα-helixtrans-59.7-38176.2-72.3174.9-7.100112.5A59 S63 D65 R66 A67 D72 A73 L317A59-Q69 WeakPolarHBondContact CB-O 3.3Å; S63-Q69 PolarHBondContact O-NE2 3.24Å; D65-Q69 WeakPolarHBondContact O-CG 3.47Å; D65-Q69 PolarHBondContact O-N 3.41Å; R66-Q69 PolarHBondContact O-N 2.96Å; A67-Q69 PolarHBondContact O-N 3.48Å; Q69-D72 PolarHBondContact O-N 2.99Å; Q69-A73 WeakPolarHBondContact O-CB 3.31Å; Q69-A73 PolarHBondContact O-N 2.9Å; Q69-L317 HydrophobicContact CB-CD1 3.97Å; Q69-L317 HydrophobicContact CB-CD2 3.93Å
70I98.3Very high97.9Very high34 Ų3450.3 Ų50.317%0.17426%0.257CS..Hα-helixtrans-63.7-47176.3-69.1165.7000110.7R66 A67 Q68 D72 T74 E310 L317R66-I70 WeakPolarHBondContact O-CG1 3.2Å; R66-I70 PolarHBondContact O-N 2.7Å; R66-I70 VanDerWaalsContact O-N 3.12Å; A67-I70 PolarHBondContact O-N 2.82Å; Q68-I70 VanDerWaalsContact C-N 3.3Å; Q68-I70 PolarHBondContact O-N 3.27Å; I70-D72 VanDerWaalsContact C-N 3.34Å; I70-T74 WeakPolarHBondContact O-CB 3.49Å; I70-T74 PolarHBondContact O-N 2.78Å; I70-T74 PolarHBondContact O-OG1 3.41Å; I70-E310 HydrophobicContact CG2-CB 3.61Å; I70-E310 HydrophobicContact CG2-CG 3.77Å; I70-L317 HydrophobicContact CB-CD1 4.23Å; I70-L317 HydrophobicContact CG1-CD1 3.39Å
71V97.7Very high97.9Very high43 Ų4346 Ų4626%0.26124%0.239SC..Hα-helixtrans-61.5-45.8177.4175.60000110.5A67 Q68 T74 D75A67-V71 PolarHBondContact O-N 3.36Å; Q68-V71 PolarHBondContact O-N 2.93Å; V71-T74 PolarHBondContact O-N 3.37Å; V71-D75 PolarHBondContact O-N 2.96Å
72D98.4Very high97.9Very high5 Ų538.8 Ų38.83%0.02721%0.205CC..Hα-helixtrans-62.6-47.3-179-71.52.2000111.8W58 A59 Q62 Q68 Q69 I70 T74 K76 R114W58-D72 HydrophobicContact CZ3-CB 3.9Å; A59-D72 HydrophobicContact CB-CB 3.73Å; Q62-D72 VanDerWaalsContact CB-OD2 3.26Å; Q62-D72 WeakPolarHBondContact CB-OD2 3.29Å; Q68-D72 PolarHBondContact NE2-OD1 3.47Å; Q68-D72 VanDerWaalsContact O-CB 3.3Å; Q68-D72 WeakPolarHBondContact O-CB 3.39Å; Q68-D72 PolarHBondContact O-N 3.2Å; Q69-D72 PolarHBondContact O-N 2.99Å; I70-D72 VanDerWaalsContact C-N 3.34Å; D72-T74 VanDerWaalsContact C-N 3.32Å; D72-T74 PolarHBondContact O-N 2.68Å; D72-K76 WeakPolarHBondContact O-CB 3.49Å; D72-K76 PolarHBondContact O-N 3.37Å; D72-R114 IonicContact OD1-CZ 2.76Å; D72-R114 IonicContact OD1-NH1 3.77Å; D72-R114 PolarHBondContact OD1-NH1 2.82Å; D72-R114 IonicContact OD1-NH2 3.22Å; D72-R114 PolarHBondContact OD1-NH2 2.89Å; D72-R114 IonicContact OD2-NH2 2.96Å
73A98.4Very high98Very high0 Ų035.4 Ų35.40%019%0.19CC..Hα-helixtrans-65.7-36.3178.600000111.5A55 V56 A59 Q69 K76 L77 I313A55-A73 WeakPolarHBondContact CB-O 3.27Å; V56-A73 HydrophobicContact CG2-CB 4.37Å; A59-A73 HydrophobicContact CB-CB 3.64Å; Q69-A73 WeakPolarHBondContact O-CB 3.31Å; Q69-A73 PolarHBondContact O-N 2.9Å; A73-K76 PolarHBondContact O-N 3.28Å; A73-L77 VanDerWaalsContact O-CB 3.26Å; A73-L77 WeakPolarHBondContact O-CB 3.39Å; A73-L77 PolarHBondContact O-N 2.59Å; A73-I313 HydrophobicContact CB-CG2 3.52Å
74T98.1Very high98Very high4 Ų436 Ų363%0.02519%0.189CC..Hα-helixtrans-70.9-44.2179.4-52.80000112I70 V71 D72 K76 L77 A78 L309I70-T74 WeakPolarHBondContact O-CB 3.49Å; I70-T74 PolarHBondContact O-N 2.78Å; I70-T74 PolarHBondContact O-OG1 3.41Å; V71-T74 PolarHBondContact O-N 3.37Å; D72-T74 VanDerWaalsContact C-N 3.32Å; D72-T74 PolarHBondContact O-N 2.68Å; T74-K76 VanDerWaalsContact C-N 3.33Å; T74-K76 PolarHBondContact O-N 3.12Å; T74-L77 PolarHBondContact O-N 3.01Å; T74-A78 PolarHBondContact O-N 3.34Å; T74-A78 VanDerWaalsContact O-N 3.09Å; T74-L309 HydrophobicContact CG2-CD2 3.5Å; T74-L309 VanDerWaalsContact CG2-CD2 3.5Å; T74-L309 HydrophobicContact CG2-CG 3.92Å
75D98.5Very high98.1Very high13 Ų1328 Ų287%0.0715%0.146CC..Hα-helixtrans-58.3-47.6172.2-72.6-9.4000110.6V71 L77 A78 V79 K111 R114 L115 L118V71-D75 PolarHBondContact O-N 2.96Å; D75-L77 VanDerWaalsContact C-N 3.34Å; D75-L77 PolarHBondContact O-N 3.46Å; D75-A78 PolarHBondContact O-N 2.85Å; D75-V79 WeakPolarHBondContact O-CG2 3.44Å; D75-V79 PolarHBondContact O-N 3.23Å; D75-V79 VanDerWaalsContact O-N 3.09Å; D75-K111 IonicContact OD1-NZ 2.9Å; D75-K111 PolarHBondContact OD1-NZ 2.92Å; D75-K111 IonicContact OD2-NZ 3.82Å; D75-K111 PolarHBondContact OD2-NZ 3.26Å; D75-R114 WeakPolarHBondContact OD2-CD 3.47Å; D75-R114 IonicContact OD2-CZ 3.27Å; D75-R114 IonicContact OD2-NE 2.68Å; D75-R114 PolarHBondContact OD2-NE 3.42Å; D75-R114 IonicContact OD2-NH2 2.96Å; D75-L115 HydrophobicContact CB-CD2 4.05Å; D75-L118 HydrophobicContact CB-CD1 3.97Å
76K98.6Very high98.1Very high24 Ų2424.3 Ų24.310%0.10413%0.127CC..Hα-helixtrans-64.5-37.7-179-179.458.1173.9151.80112D54 A55 W58 D72 A73 T74 V79 N80 L118D54-K76 IonicContact OD2-NZ 3.95Å; A55-K76 HydrophobicContact CB-CB 3.95Å; A55-K76 HydrophobicContact CB-CG 3.76Å; W58-K76 HydrophobicContact CB-CG 4.3Å; W58-K76 HydrophobicContact CD2-CB 4.37Å; W58-K76 HydrophobicContact CD2-CD 4.12Å; W58-K76 HydrophobicContact CD2-CG 3.97Å; W58-K76 HydrophobicContact CE3-CB 3.61Å; W58-K76 HydrophobicContact CE3-CD 4.2Å; W58-K76 HydrophobicContact CE3-CG 3.7Å; W58-K76 HydrophobicContact CG-CD 4.37Å; W58-K76 HydrophobicContact CG-CG 4.23Å; W58-K76 HydrophobicContact CZ3-CB 3.89Å; W58-K76 HydrophobicContact CZ3-CG 4.38Å; D72-K76 WeakPolarHBondContact O-CB 3.49Å; D72-K76 PolarHBondContact O-N 3.37Å; A73-K76 PolarHBondContact O-N 3.28Å; T74-K76 VanDerWaalsContact C-N 3.33Å; T74-K76 PolarHBondContact O-N 3.12Å; K76-V79 PolarHBondContact O-N 2.88Å; K76-N80 VanDerWaalsContact CE-OD1 3.22Å; K76-N80 WeakPolarHBondContact CE-OD1 3.5Å; K76-N80 PolarHBondContact NZ-OD1 3.48Å; K76-N80 WeakPolarHBondContact O-CB 3.38Å; K76-N80 PolarHBondContact O-N 3.33Å; K76-N80 PolarHBondContact O-OD1 3.47Å; K76-L118 HydrophobicContact CD-CD2 4.32Å
77L98.4Very high98.1Very high0 Ų025.1 Ų25.10%013%0.134CC..Hα-helixtrans-63.9-46.3175.3175.361000111.8A43 L51 I52 A55 A73 T74 D75 V79 N80 I81 L309 I313A43-L77 HydrophobicContact CB-CD2 4.28Å; L51-L77 HydrophobicContact CB-CD1 4.1Å; I52-L77 HydrophobicContact CG1-CD1 3.71Å; I52-L77 HydrophobicContact CG1-CD2 4.01Å; A55-L77 HydrophobicContact CB-CB 4Å; A73-L77 VanDerWaalsContact O-CB 3.26Å; A73-L77 WeakPolarHBondContact O-CB 3.39Å; A73-L77 PolarHBondContact O-N 2.59Å; T74-L77 PolarHBondContact O-N 3.01Å; D75-L77 VanDerWaalsContact C-N 3.34Å; D75-L77 PolarHBondContact O-N 3.46Å; L77-V79 VanDerWaalsContact C-N 3.26Å; L77-V79 PolarHBondContact O-N 3.33Å; L77-N80 PolarHBondContact O-N 3.45Å; L77-I81 HydrophobicContact CD1-CD1 3.92Å; L77-I81 HydrophobicContact CD1-CG1 4.16Å; L77-I81 HydrophobicContact CG-CD1 4.07Å; L77-I81 WeakPolarHBondContact O-CG1 3.5Å; L77-I81 PolarHBondContact O-N 2.94Å; L77-L309 HydrophobicContact CD2-CD1 3.94Å; L77-I313 HydrophobicContact CD2-CD1 4.08Å
78A98.4Very high98.1Very high15 Ų1525.2 Ų25.212%0.12413%0.126CC..Hα-helixtrans-58-42.4176.800000111.1I39 T74 D75 G82 T95I39-A78 HydrophobicContact CD1-CB 4.5Å; I39-A78 HydrophobicContact CG1-CB 4.44Å; T74-A78 PolarHBondContact O-N 3.34Å; T74-A78 VanDerWaalsContact O-N 3.09Å; D75-A78 PolarHBondContact O-N 2.85Å; A78-G82 PolarHBondContact O-N 3.36Å; A78-T95 HydrophobicContact CB-CG2 4.14Å
79V98.7Very high98.1Very high0 Ų022.1 Ų22.10%011%0.111CC..Hα-helixtrans-66-45.7174.5173.90000111.9D75 K76 L77 I81 G82 L83 L115 L118 Y119D75-V79 WeakPolarHBondContact O-CG2 3.44Å; D75-V79 PolarHBondContact O-N 3.23Å; D75-V79 VanDerWaalsContact O-N 3.09Å; K76-V79 PolarHBondContact O-N 2.88Å; L77-V79 VanDerWaalsContact C-N 3.26Å; L77-V79 PolarHBondContact O-N 3.33Å; V79-I81 VanDerWaalsContact C-N 3.32Å; V79-I81 PolarHBondContact O-N 2.84Å; V79-G82 CarbonylContact O-C 3.57Å; V79-G82 WeakPolarHBondContact O-CA 3.17Å; V79-G82 PolarHBondContact O-N 3.09Å; V79-L83 HydrophobicContact CG1-CD1 4.12Å; V79-L83 HydrophobicContact CG1-CG 4.16Å; V79-L83 VanDerWaalsContact O-CG 3.31Å; V79-L83 WeakPolarHBondContact O-CG 3.05Å; V79-L83 PolarHBondContact O-N 3.09Å; V79-L115 HydrophobicContact CG2-CD2 4.17Å; V79-L118 HydrophobicContact CB-CB 4.25Å; V79-L118 HydrophobicContact CG1-CB 4.01Å; V79-L118 HydrophobicContact CG2-CB 3.84Å; V79-L118 HydrophobicContact CG2-CD1 4.07Å; V79-Y119 HydrophobicContact CB-CE1 4.49Å; V79-Y119 HydrophobicContact CB-CE2 4.35Å; V79-Y119 HydrophobicContact CG1-CD1 3.8Å; V79-Y119 HydrophobicContact CG1-CD2 4.18Å; V79-Y119 HydrophobicContact CG1-CE1 3.81Å; V79-Y119 HydrophobicContact CG1-CE2 4.2Å; V79-Y119 HydrophobicContact CG1-CG 3.96Å; V79-Y119 HydrophobicContact CG2-CD2 4.02Å; V79-Y119 HydrophobicContact CG2-CE2 3.72Å
80N98.4Very high98.1Very high7 Ų725.2 Ų25.24%0.03713%0.133CC..Hα-helixtrans-57.9-42.9178.5-77.5-3.8000112.2L51 D54 K76 L77 L83 E84L51-N80 HydrophobicContact CB-CB 4.18Å; L51-N80 HydrophobicContact CD2-CB 4.41Å; L51-N80 PolarHBondContact O-ND2 3.47Å; L51-N80 VanDerWaalsContact O-ND2 3.15Å; D54-N80 PolarHBondContact OD2-ND2 3.2Å; K76-N80 VanDerWaalsContact CE-OD1 3.22Å; K76-N80 WeakPolarHBondContact CE-OD1 3.5Å; K76-N80 PolarHBondContact NZ-OD1 3.48Å; K76-N80 WeakPolarHBondContact O-CB 3.38Å; K76-N80 PolarHBondContact O-N 3.33Å; K76-N80 PolarHBondContact O-OD1 3.47Å; L77-N80 PolarHBondContact O-N 3.45Å; N80-L83 PolarHBondContact O-N 3.48Å; N80-E84 PolarHBondContact O-N 2.83Å; N80-E84 VanDerWaalsContact O-N 3.15Å
81I97.8Very high98.1Very high0 Ų024 Ų240%013%0.129CC..Hα-helixtrans-62.9-46.3173.4-70.1168.3000110.3I39 A42 Y48 L51 L77 V79 L83 E84 I85I39-I81 HydrophobicContact CD1-CB 4.33Å; I39-I81 HydrophobicContact CD1-CD1 4.04Å; I39-I81 HydrophobicContact CD1-CG2 4.1Å; I39-I81 HydrophobicContact CG2-CD1 4.03Å; A42-I81 HydrophobicContact CB-CD1 4.19Å; Y48-I81 HydrophobicContact CD1-CD1 3.94Å; Y48-I81 HydrophobicContact CD1-CG1 3.8Å; Y48-I81 HydrophobicContact CE1-CD1 4.15Å; Y48-I81 HydrophobicContact CE1-CG1 3.83Å; Y48-I81 HydrophobicContact CE1-CG2 4.07Å; L51-I81 HydrophobicContact CD1-CG1 3.96Å; L77-I81 HydrophobicContact CD1-CD1 3.92Å; L77-I81 HydrophobicContact CD1-CG1 4.16Å; L77-I81 HydrophobicContact CG-CD1 4.07Å; L77-I81 WeakPolarHBondContact O-CG1 3.5Å; L77-I81 PolarHBondContact O-N 2.94Å; V79-I81 VanDerWaalsContact C-N 3.32Å; V79-I81 PolarHBondContact O-N 2.84Å; I81-L83 VanDerWaalsContact C-N 3.28Å; I81-L83 PolarHBondContact O-N 3Å; I81-E84 PolarHBondContact O-N 2.77Å; I81-E84 VanDerWaalsContact O-N 3.17Å; I81-I85 HydrophobicContact CG2-CD1 3.81Å; I81-I85 HydrophobicContact CG2-CG1 4.49Å; I81-I85 WeakPolarHBondContact O-CG1 3.34Å; I81-I85 PolarHBondContact O-N 3.21Å
82G98.1Very high98.2Very high1 Ų124.5 Ų24.51%0.0113%0.126CC..Hα-helixtrans-60.8-35.1176.600000113.7A78 V79 I85 L86A78-G82 PolarHBondContact O-N 3.36Å; V79-G82 CarbonylContact O-C 3.57Å; V79-G82 WeakPolarHBondContact O-CA 3.17Å; V79-G82 PolarHBondContact O-N 3.09Å; G82-I85 PolarHBondContact O-N 3.49Å; G82-L86 WeakPolarHBondContact O-CB 3.3Å; G82-L86 VanDerWaalsContact O-CG 3.26Å; G82-L86 WeakPolarHBondContact O-CG 3.45Å; G82-L86 PolarHBondContact O-N 2.79Å
83L98.4Very high98.2Very high29 Ų2924.2 Ų24.215%0.15213%0.125CC..Hα-helixtrans-64.3-41.5174.4-69.5173.4000111.9V79 N80 I81 I85 L86 K87 Y119 A122 I124V79-L83 HydrophobicContact CG1-CD1 4.12Å; V79-L83 HydrophobicContact CG1-CG 4.16Å; V79-L83 VanDerWaalsContact O-CG 3.31Å; V79-L83 WeakPolarHBondContact O-CG 3.05Å; V79-L83 PolarHBondContact O-N 3.09Å; N80-L83 PolarHBondContact O-N 3.48Å; I81-L83 VanDerWaalsContact C-N 3.28Å; I81-L83 PolarHBondContact O-N 3Å; L83-I85 VanDerWaalsContact C-N 3.35Å; L83-L86 PolarHBondContact O-N 3.03Å; L83-K87 WeakPolarHBondContact O-CG 3.33Å; L83-K87 PolarHBondContact O-N 2.93Å; L83-Y119 HydrophobicContact CD2-CD1 3.8Å; L83-Y119 HydrophobicContact CD2-CE1 4.12Å; L83-Y119 HydrophobicContact CG-CD1 4.3Å; L83-Y119 HydrophobicContact CG-CE1 4.25Å; L83-A122 HydrophobicContact CD1-CB 3.65Å; L83-A122 HydrophobicContact CD2-CB 3.82Å; L83-A122 HydrophobicContact CG-CB 4.4Å; L83-I124 HydrophobicContact CD2-CD1 4.17Å; L83-I124 HydrophobicContact CD2-CG1 3.39Å
84E97.5Very high98.2Very high47 Ų4724.3 Ų24.322%0.2213%0.125CC..Hα-helixtrans-65.5-38.7173.9-66.8-53.8137.100112I21 L51 N80 I81 K87I21-E84 HydrophobicContact CG2-CB 4.02Å; L51-E84 HydrophobicContact CD1-CG 3.92Å; L51-E84 HydrophobicContact CD2-CG 3.91Å; N80-E84 PolarHBondContact O-N 2.83Å; N80-E84 VanDerWaalsContact O-N 3.15Å; I81-E84 PolarHBondContact O-N 2.77Å; I81-E84 VanDerWaalsContact O-N 3.17Å; E84-K87 WeakPolarHBondContact O-CB 3.4Å; E84-K87 PolarHBondContact O-N 3.36Å; E84-K87 IonicContact OE1-NZ 2.63Å; E84-K87 PolarHBondContact OE1-NZ 2.95Å; E84-K87 IonicContact OE2-NZ 2.9Å; E84-K87 PolarHBondContact OE2-NZ 3.31Å
85I97.6Very high98.2Very high0 Ų024.1 Ų24.10%012%0.124CC..Hα-helixtrans-66-41.9176.7-66.6167.9000111.4I21 M24 A32 T34 I81 G82 L83 K87 L88 V89 I93I21-I85 HydrophobicContact CG2-CG1 4.3Å; M24-I85 HydrophobicContact CE-CG2 4.49Å; M24-I85 HydrophobicContact CG-CG2 4.31Å; M24-I85 HydrophobicContact SD-CG2 4.14Å; A32-I85 HydrophobicContact CB-CG2 3.52Å; T34-I85 HydrophobicContact CG2-CD1 4.21Å; I81-I85 HydrophobicContact CG2-CD1 3.81Å; I81-I85 HydrophobicContact CG2-CG1 4.49Å; I81-I85 WeakPolarHBondContact O-CG1 3.34Å; I81-I85 PolarHBondContact O-N 3.21Å; G82-I85 PolarHBondContact O-N 3.49Å; L83-I85 VanDerWaalsContact C-N 3.35Å; I85-K87 PolarHBondContact O-N 2.78Å; I85-K87 VanDerWaalsContact O-N 3.14Å; I85-L88 WeakPolarHBondContact O-CA 3.27Å; I85-L88 WeakPolarHBondContact O-CB 3.35Å; I85-L88 PolarHBondContact O-N 2.76Å; I85-V89 HydrophobicContact CG2-CG1 4.02Å; I85-V89 HydrophobicContact CG2-CG2 4.07Å; I85-V89 PolarHBondContact O-N 2.69Å; I85-I93 HydrophobicContact CB-CD1 4.31Å; I85-I93 HydrophobicContact CD1-CD1 3.91Å; I85-I93 HydrophobicContact CG2-CD1 4.04Å
86L98.3Very high98.2Very high11 Ų1124.5 Ų24.56%0.05813%0.125CC..Hα-helixtrans-63.3-18.3179.4-77.3174.3000114.3G82 L83 L88 V89 I93 Y119 I124 R128G82-L86 WeakPolarHBondContact O-CB 3.3Å; G82-L86 VanDerWaalsContact O-CG 3.26Å; G82-L86 WeakPolarHBondContact O-CG 3.45Å; G82-L86 PolarHBondContact O-N 2.79Å; L83-L86 PolarHBondContact O-N 3.03Å; L86-L88 VanDerWaalsContact C-N 3.26Å; L86-V89 HydrophobicContact CD2-CG2 4.39Å; L86-I93 HydrophobicContact CD1-CG2 3.63Å; L86-I93 HydrophobicContact CD2-CB 4Å; L86-I93 HydrophobicContact CD2-CG2 3.81Å; L86-I93 HydrophobicContact CG-CB 4.02Å; L86-I93 HydrophobicContact CG-CG2 3.65Å; L86-Y119 HydrophobicContact CD1-CD1 4.3Å; L86-Y119 HydrophobicContact CD1-CE1 4.1Å; L86-I124 HydrophobicContact CD1-CD1 4.36Å; L86-I124 HydrophobicContact CD1-CG1 4.11Å; L86-I124 HydrophobicContact CD1-CG2 3.7Å; L86-R128 HydrophobicContact CD2-CB 4.2Å; L86-R128 PolarHBondContact O-NH2 3.02Å
87K97.6Very high98.2Very high141 Ų14123.6 Ų23.661%0.61312%0.122SC*.THydrogen-bonded Turntrans-73.3-20.3170.5-63.4170.2-167.51740112.6L83 E84 I85L83-K87 WeakPolarHBondContact O-CG 3.33Å; L83-K87 PolarHBondContact O-N 2.93Å; E84-K87 WeakPolarHBondContact O-CB 3.4Å; E84-K87 PolarHBondContact O-N 3.36Å; E84-K87 IonicContact OE1-NZ 2.63Å; E84-K87 PolarHBondContact OE1-NZ 2.95Å; E84-K87 IonicContact OE2-NZ 2.9Å; E84-K87 PolarHBondContact OE2-NZ 3.31Å; I85-K87 PolarHBondContact O-N 2.78Å; I85-K87 VanDerWaalsContact O-N 3.14Å
88L97.3Very high98.2Very high63 Ų6324.6 Ų24.633%0.3313%0.127SC..THydrogen-bonded Turntrans-108.7-30.9-172.6-59.5173.4000112.5I21 M24 K25 I85 L86I21-L88 HydrophobicContact CB-CD1 3.76Å; I21-L88 HydrophobicContact CG2-CD1 3.94Å; M24-L88 HydrophobicContact CB-CB 4.03Å; M24-L88 HydrophobicContact CB-CD1 3.86Å; K25-L88 HydrophobicContact CG-CD1 4.14Å; K25-L88 HydrophobicContact CG-CD2 4.04Å; I85-L88 WeakPolarHBondContact O-CA 3.27Å; I85-L88 WeakPolarHBondContact O-CB 3.35Å; I85-L88 PolarHBondContact O-N 2.76Å; L86-L88 VanDerWaalsContact C-N 3.26Å
89V98.1Very high98.2Very high4 Ų424 Ų242%0.02412%0.122CC..  trans-99.7134.4178.7-53.90000111.2M24 P29 I85 L86 G91 R128M24-V89 HydrophobicContact SD-CG1 3.75Å; P29-V89 HydrophobicContact CG-CG1 3.99Å; I85-V89 HydrophobicContact CG2-CG1 4.02Å; I85-V89 HydrophobicContact CG2-CG2 4.07Å; I85-V89 PolarHBondContact O-N 2.69Å; L86-V89 HydrophobicContact CD2-CG2 4.39Å; V89-G91 VanDerWaalsContact C-N 3.3Å; V89-G91 PolarHBondContact O-N 2.95Å; V89-R128 PolarHBondContact O-NH2 3.17Å
90P97.9Very high98.2Very high88 Ų8828.8 Ų28.857%0.57114%0.14SC*.SBendtrans-72.4-25179.728-33.8000112.9Q30Q30-P90 WeakPolarHBondContact O-CD 3.42Å
91G98.3Very high98.2Very high8 Ų830.4 Ų30.48%0.08215%0.149CC..SBendtrans-96.7-129.5-179.800000112.6Q30 D31 V89 R128Q30-G91 VanDerWaalsContact O-CA 3.24Å; Q30-G91 WeakPolarHBondContact O-CA 3.5Å; Q30-G91 PolarHBondContact O-N 2.71Å; D31-G91 WeakPolarHBondContact OD1-CA 3.21Å; V89-G91 VanDerWaalsContact C-N 3.3Å; V89-G91 PolarHBondContact O-N 2.95Å; G91-R128 PolarHBondContact O-NE 3Å; G91-R128 PolarHBondContact O-NH2 2.86Å
92R98.7Very high98.3Very high54 Ų5430.7 Ų30.720%0.20415%0.151CC..  trans-107.5155.4-162.5-55.4-175.4175.898.20.2113.1D31 A32 D127 R128 L130D31-R92 CarbonylContact C-O 3.41Å; D31-R92 VanDerWaalsContact CA-O 3.31Å; D31-R92 WeakPolarHBondContact CA-O 3.45Å; D31-R92 VanDerWaalsContact CB-O 3.3Å; D31-R92 WeakPolarHBondContact CB-O 3.2Å; D31-R92 PolarHBondContact OD1-N 3.47Å; A32-R92 PolarHBondContact N-O 3.38Å; R92-D127 WeakPolarHBondContact CD-O 3.42Å; R92-D127 WeakPolarHBondContact CG-O 3.38Å; R92-D127 PolarHBondContact NE-O 3.43Å; R92-R128 WeakPolarHBondContact CA-O 3.32Å; R92-L130 HydrophobicContact CB-CD1 4.39Å; R92-L130 HydrophobicContact CB-CG 4.33Å
93I98.7Very high98.3Very high0 Ų036.8 Ų36.80%018%0.175CC..EExtended strand (participates in β ladder)trans-105.3134161.9-176.762.4000109.6A32 T34 I85 L86 Y119 R128 I129 L130A32-I93 HydrophobicContact CB-CD1 3.85Å; T34-I93 HydrophobicContact CG2-CD1 4.04Å; I85-I93 HydrophobicContact CB-CD1 4.31Å; I85-I93 HydrophobicContact CD1-CD1 3.91Å; I85-I93 HydrophobicContact CG2-CD1 4.04Å; L86-I93 HydrophobicContact CD1-CG2 3.63Å; L86-I93 HydrophobicContact CD2-CB 4Å; L86-I93 HydrophobicContact CD2-CG2 3.81Å; L86-I93 HydrophobicContact CG-CB 4.02Å; L86-I93 HydrophobicContact CG-CG2 3.65Å; I93-Y119 HydrophobicContact CG2-CE1 4.03Å; I93-R128 PolarHBondContact N-O 2.91Å; I93-I129 CarbonylContact O-C 3.59Å; I93-I129 WeakPolarHBondContact O-CA 3.24Å; I93-L130 PolarHBondContact O-N 3.18Å
94S98.8Very high98.3Very high1 Ų139.2 Ų39.21%0.00719%0.188CC..EExtended strand (participates in β ladder)trans-100.9120.4170.3-162.90000110.8A32 T34 L130 K132 N154A32-S94 PolarHBondContact O-N 3.37Å; T34-S94 PolarHBondContact N-O 2.87Å; T34-S94 PolarHBondContact OG1-O 2.59Å; S94-L130 CarbonylContact C-O 3.43Å; S94-L130 VanDerWaalsContact CA-O 3.25Å; S94-L130 WeakPolarHBondContact CA-O 3.37Å; S94-K132 WeakPolarHBondContact OG-CB 3.12Å; S94-N154 WeakPolarHBondContact OG-CB 3.42Å; S94-N154 PolarHBondContact OG-ND2 2.94Å
95T98.7Very high98.4Very high0 Ų038.8 Ų38.80%019%0.189CC..EExtended strand (participates in β ladder)trans-121.8129.3-175.2-58.90000109.7A78 L115 Y119 L130 K132A78-T95 HydrophobicContact CB-CG2 4.14Å; T95-L115 HydrophobicContact CG2-CD1 4.36Å; T95-Y119 PolarHBondContact OG1-OH 2.88Å; T95-L130 PolarHBondContact N-O 3.25Å; T95-K132 PolarHBondContact O-N 3.06Å
96E98.6Very high98.4Very high21 Ų2145.2 Ų45.210%0.09822%0.219CC..EExtended strand (participates in β ladder)trans-92134.8-166.8-163.6157.7170.700113N35 K132 T156 F302N35-E96 VanDerWaalsContact CA-OE2 3.32Å; N35-E96 WeakPolarHBondContact CA-OE2 3.29Å; N35-E96 WeakPolarHBondContact CB-OE2 3.37Å; E96-K132 WeakPolarHBondContact CA-O 3.26Å; E96-K132 HydrophobicContact CB-CB 4.07Å; E96-K132 HydrophobicContact CB-CD 4.2Å; E96-K132 HydrophobicContact CB-CG 4.29Å; E96-K132 HydrophobicContact CG-CB 4.2Å; E96-K132 HydrophobicContact CG-CD 4.24Å; E96-K132 HydrophobicContact CG-CG 4.04Å; E96-K132 WeakPolarHBondContact OE2-CD 3.3Å; E96-K132 VanDerWaalsContact OE2-CE 3.22Å; E96-K132 WeakPolarHBondContact OE2-CE 3.44Å; E96-K132 IonicContact OE2-NZ 3.14Å; E96-K132 PolarHBondContact OE2-NZ 3.28Å; E96-T156 WeakPolarHBondContact OE1-CG2 3.25Å; E96-F302 VanDerWaalsContact OE1-CD2 3.26Å; E96-F302 WeakPolarHBondContact OE1-CD2 3.27Å; E96-F302 VanDerWaalsContact OE1-CE2 3.25Å; E96-F302 WeakPolarHBondContact OE1-CE2 3.48Å
97V98.7Very high98.5Very high6 Ų646 Ų464%0.03623%0.227CC..PPolyproline II helixtrans-66.9145.5167.5169.70000108.9A99 L101 K111 A112 L115 I131 K132 L133V97-A99 PolarHBondContact O-N 2.64Å; V97-A99 VanDerWaalsContact O-N 3.12Å; V97-L101 HydrophobicContact CG1-CB 4.4Å; V97-L101 HydrophobicContact CG1-CD1 4.29Å; V97-K111 HydrophobicContact CB-CG 4.41Å; V97-K111 HydrophobicContact CG1-CB 4.06Å; V97-K111 HydrophobicContact CG1-CG 3.84Å; V97-K111 HydrophobicContact CG2-CG 4.33Å; V97-A112 HydrophobicContact CG2-CB 4.2Å; V97-L115 HydrophobicContact CG2-CD1 4.29Å; V97-I131 HydrophobicContact CG2-CG2 3.58Å; V97-K132 PolarHBondContact N-O 3.13Å; V97-L133 HydrophobicContact CB-CG 4.4Å; V97-L133 HydrophobicContact CG2-CD2 4.23Å; V97-L133 HydrophobicContact CG2-CG 4.1Å
98D98.3Very high98.5Very high20 Ų2039.4 Ų39.411%0.10720%0.198CC..PPolyproline II helixtrans-50.1120.2175.9-178.1-12.8000111.4R100 L101D98-R100 PolarHBondContact O-N 3.11Å; D98-R100 VanDerWaalsContact O-N 3.1Å; D98-R100 WeakPolarHBondContact OD1-CB 3.42Å; D98-R100 WeakPolarHBondContact OD1-CG 3.4Å; D98-R100 IonicContact OD1-CZ 3.6Å; D98-R100 PolarHBondContact OD1-N 3Å; D98-R100 IonicContact OD1-NE 2.79Å; D98-R100 PolarHBondContact OD1-NE 2.92Å; D98-R100 IonicContact OD1-NH2 3.85Å; D98-R100 IonicContact OD2-CZ 2.68Å; D98-R100 VanDerWaalsContact OD2-CZ 3.24Å; D98-R100 IonicContact OD2-NE 3.57Å; D98-R100 PolarHBondContact OD2-NE 2.96Å; D98-R100 IonicContact OD2-NH2 3.7Å; D98-R100 PolarHBondContact OD2-NH2 3.05Å; D98-L101 HydrophobicContact CB-CD1 4.21Å; D98-L101 HydrophobicContact CB-CG 4.17Å; D98-L101 WeakPolarHBondContact O-CB 3.47Å; D98-L101 PolarHBondContact O-N 3.16Å
99A98.2Very high98.6Very high2 Ų236.9 Ų36.92%0.01719%0.185CC..G310 helixtrans-59.9-24.1-176.900000113V97 L101 S102 I299 F302V97-A99 PolarHBondContact O-N 2.64Å; V97-A99 VanDerWaalsContact O-N 3.12Å; A99-L101 PolarHBondContact O-N 3.43Å; A99-S102 VanDerWaalsContact O-CB 3.23Å; A99-S102 WeakPolarHBondContact O-CB 3.46Å; A99-S102 PolarHBondContact O-N 3.46Å; A99-S102 VanDerWaalsContact O-N 3.09Å; A99-S102 PolarHBondContact O-OG 2.89Å; A99-I299 HydrophobicContact CB-CG2 4.37Å; A99-I299 WeakPolarHBondContact O-CG2 3.44Å; A99-F302 HydrophobicContact CB-CB 3.69Å
100R98.5Very high98.6Very high101 Ų10139.6 Ų39.638%0.38121%0.208SC..G310 helixtrans-63.4-21.9175-62.8175.2-65.1-160.52.9112.5D98 S102 A303 E310D98-R100 PolarHBondContact O-N 3.11Å; D98-R100 VanDerWaalsContact O-N 3.1Å; D98-R100 WeakPolarHBondContact OD1-CB 3.42Å; D98-R100 WeakPolarHBondContact OD1-CG 3.4Å; D98-R100 IonicContact OD1-CZ 3.6Å; D98-R100 PolarHBondContact OD1-N 3Å; D98-R100 IonicContact OD1-NE 2.79Å; D98-R100 PolarHBondContact OD1-NE 2.92Å; D98-R100 IonicContact OD1-NH2 3.85Å; D98-R100 IonicContact OD2-CZ 2.68Å; D98-R100 VanDerWaalsContact OD2-CZ 3.24Å; D98-R100 IonicContact OD2-NE 3.57Å; D98-R100 PolarHBondContact OD2-NE 2.96Å; D98-R100 IonicContact OD2-NH2 3.7Å; D98-R100 PolarHBondContact OD2-NH2 3.05Å; R100-S102 VanDerWaalsContact C-N 3.35Å; R100-A303 HydrophobicContact CG-CB 3.71Å; R100-E310 IonicContact CZ-OE1 2.81Å; R100-E310 IonicContact CZ-OE2 3.19Å; R100-E310 IonicContact NH1-OE1 2.66Å; R100-E310 IonicContact NH1-OE2 3.69Å; R100-E310 PolarHBondContact NH1-OE2 3.34Å; R100-E310 IonicContact NH2-OE1 2.62Å; R100-E310 PolarHBondContact NH2-OE1 3.49Å; R100-E310 IonicContact NH2-OE2 3.88Å; R100-E310 PolarHBondContact NH2-OE2 3.28Å
101L98.6Very high98.7Very high41 Ų4136.5 Ų36.522%0.21519%0.185CC..G310 helixtrans-88.20.2177.7-51.8-179000113.2V97 D98 A99 Y103 D104 A107 S108 K111V97-L101 HydrophobicContact CG1-CB 4.4Å; V97-L101 HydrophobicContact CG1-CD1 4.29Å; D98-L101 HydrophobicContact CB-CD1 4.21Å; D98-L101 HydrophobicContact CB-CG 4.17Å; D98-L101 WeakPolarHBondContact O-CB 3.47Å; D98-L101 PolarHBondContact O-N 3.16Å; A99-L101 PolarHBondContact O-N 3.43Å; L101-Y103 PolarHBondContact O-N 3.35Å; L101-D104 PolarHBondContact O-N 2.84Å; L101-A107 HydrophobicContact CB-CB 4.48Å; L101-A107 HydrophobicContact CD1-CB 4.31Å; L101-A107 HydrophobicContact CD2-CB 3.94Å; L101-A107 HydrophobicContact CG-CB 4.47Å; L101-S108 PolarHBondContact O-OG 3.49Å; L101-K111 HydrophobicContact CD1-CB 3.73Å; L101-K111 HydrophobicContact CD1-CG 4.09Å
102S98.8Very high98.7Very high7 Ų736.1 Ų36.15%0.04918%0.181CC..THydrogen-bonded Turntrans-58.1-18.3-172.8-61.40000114.9A99 R100 A134 T136A99-S102 VanDerWaalsContact O-CB 3.23Å; A99-S102 WeakPolarHBondContact O-CB 3.46Å; A99-S102 PolarHBondContact O-N 3.46Å; A99-S102 VanDerWaalsContact O-N 3.09Å; A99-S102 PolarHBondContact O-OG 2.89Å; R100-S102 VanDerWaalsContact C-N 3.35Å; S102-A134 WeakPolarHBondContact OG-CB 3.36Å; S102-T136 WeakPolarHBondContact O-CB 3.18Å; S102-T136 PolarHBondContact O-OG1 3.25Å
103Y98.6Very high98.7Very high128 Ų12837.3 Ų37.350%0.50219%0.188SC..THydrogen-bonded Turntrans-110.713.2178.6-57.4-70.7000113.2L101 T136 Q138 I299L101-Y103 PolarHBondContact O-N 3.35Å; Y103-T136 HydrophobicContact CD1-CG2 3.95Å; Y103-T136 HydrophobicContact CE1-CG2 3.55Å; Y103-Q138 WeakPolarHBondContact O-CG 3.39Å; Y103-I299 HydrophobicContact CE1-CD1 4.44Å; Y103-I299 HydrophobicContact CE2-CD1 3.94Å; Y103-I299 HydrophobicContact CE2-CG2 4.45Å; Y103-I299 WeakPolarHBondContact OH-CD1 3.39Å
104D98.8Very high98.7Very high81 Ų8140.8 Ų40.843%0.43320%0.201SC..  trans-127.3106.2177.2-173.1-30.6000109.6L101 E106 A107 S108L101-D104 PolarHBondContact O-N 2.84Å; D104-E106 PolarHBondContact OD1-N 3.31Å; D104-E106 VanDerWaalsContact OD1-N 3.11Å; D104-A107 HydrophobicContact CB-CB 3.89Å; D104-A107 PolarHBondContact OD1-N 3.12Å; D104-S108 WeakPolarHBondContact O-CB 3.17Å; D104-S108 PolarHBondContact O-N 2.97Å; D104-S108 PolarHBondContact O-OG 3.41Å
105T98.9Very high98.7Very high38 Ų3840.9 Ų40.923%0.23320%0.202CC..Hα-helixtrans-60.6-48.5-177.9-550000111.5S108 I109 Q138 R141 A142T105-S108 WeakPolarHBondContact O-CB 3.25Å; T105-S108 PolarHBondContact O-N 3.26Å; T105-I109 HydrophobicContact CG2-CD1 3.99Å; T105-I109 VanDerWaalsContact O-CG1 3.27Å; T105-I109 WeakPolarHBondContact O-CG1 3.49Å; T105-I109 PolarHBondContact O-N 3.32Å; T105-Q138 WeakPolarHBondContact OG1-CB 3.4Å; T105-R141 HydrophobicContact CG2-CB 4.19Å; T105-A142 HydrophobicContact CG2-CB 4.05Å
106E98.9Very high98.7Very high135 Ų13541.3 Ų41.363%0.63120%0.204SC*.Hα-helixtrans-71.9-41.5-173.8-65.4-55.3135.600111.2D104 S108 I109 A110D104-E106 PolarHBondContact OD1-N 3.31Å; D104-E106 VanDerWaalsContact OD1-N 3.11Å; E106-S108 VanDerWaalsContact C-N 3.31Å; E106-S108 PolarHBondContact O-N 3.46Å; E106-I109 PolarHBondContact O-N 2.86Å; E106-A110 WeakPolarHBondContact O-CB 3.49Å; E106-A110 PolarHBondContact O-N 3.44Å
107A98.8Very high98.7Very high27 Ų2745.9 Ų45.922%0.22322%0.223CC..Hα-helixtrans-64.9-37.8175.400000111.7L101 D104 A110 K111L101-A107 HydrophobicContact CB-CB 4.48Å; L101-A107 HydrophobicContact CD1-CB 4.31Å; L101-A107 HydrophobicContact CD2-CB 3.94Å; L101-A107 HydrophobicContact CG-CB 4.47Å; D104-A107 HydrophobicContact CB-CB 3.89Å; D104-A107 PolarHBondContact OD1-N 3.12Å; A107-A110 PolarHBondContact O-N 2.91Å; A107-K111 WeakPolarHBondContact O-CB 3.49Å; A107-K111 PolarHBondContact O-N 3.44Å
108S98.9Very high98.7Very high2 Ų246 Ų461%0.01422%0.224CC..Hα-helixtrans-61.7-46173.6-70.60000112.1L101 D104 T105 E106 K111 A112L101-S108 PolarHBondContact O-OG 3.49Å; D104-S108 WeakPolarHBondContact O-CB 3.17Å; D104-S108 PolarHBondContact O-N 2.97Å; D104-S108 PolarHBondContact O-OG 3.41Å; T105-S108 WeakPolarHBondContact O-CB 3.25Å; T105-S108 PolarHBondContact O-N 3.26Å; E106-S108 VanDerWaalsContact C-N 3.31Å; E106-S108 PolarHBondContact O-N 3.46Å; S108-K111 PolarHBondContact O-N 3.22Å; S108-A112 VanDerWaalsContact O-CB 3.29Å; S108-A112 WeakPolarHBondContact O-CB 3.42Å; S108-A112 PolarHBondContact O-N 3.25Å
109I98.9Very high98.8Very high10 Ų1045.1 Ų45.15%0.05122%0.219CC..Hα-helixtrans-61.5-46.8176-68.2165.6000110.5T105 E106 K111 A112 K113 A142 Q145 L146T105-I109 HydrophobicContact CG2-CD1 3.99Å; T105-I109 VanDerWaalsContact O-CG1 3.27Å; T105-I109 WeakPolarHBondContact O-CG1 3.49Å; T105-I109 PolarHBondContact O-N 3.32Å; E106-I109 PolarHBondContact O-N 2.86Å; I109-K111 PolarHBondContact O-N 3.46Å; I109-A112 WeakPolarHBondContact O-CB 3.31Å; I109-A112 PolarHBondContact O-N 2.98Å; I109-K113 HydrophobicContact CG2-CD 3.99Å; I109-K113 HydrophobicContact CG2-CG 4.48Å; I109-K113 WeakPolarHBondContact O-CG 3.42Å; I109-K113 PolarHBondContact O-N 2.74Å; I109-A142 HydrophobicContact CD1-CB 4.39Å; I109-A142 HydrophobicContact CG1-CB 3.76Å; I109-Q145 HydrophobicContact CD1-CB 4.04Å; I109-Q145 HydrophobicContact CD1-CG 4.04Å; I109-L146 HydrophobicContact CG1-CG 4.4Å; I109-L146 HydrophobicContact CG2-CD2 4.15Å
110A98.8Very high98.8Very high61 Ų6148.2 Ų48.250%0.50424%0.235SC..Hα-helixtrans-61.2-44.2-18000000111.8E106 A107 K113 R114E106-A110 WeakPolarHBondContact O-CB 3.49Å; E106-A110 PolarHBondContact O-N 3.44Å; A107-A110 PolarHBondContact O-N 2.91Å; A110-K113 PolarHBondContact O-N 2.75Å; A110-R114 WeakPolarHBondContact O-CB 3.49Å; A110-R114 PolarHBondContact O-N 3.23Å
111K98.8Very high98.8Very high23 Ų2348.4 Ų48.410%0.124%0.244CC..Hα-helixtrans-65.4-43.1176.6179.759.266.9160.80111.8D75 V97 L101 A107 S108 I109 K113 R114 L115D75-K111 IonicContact OD1-NZ 2.9Å; D75-K111 PolarHBondContact OD1-NZ 2.92Å; D75-K111 IonicContact OD2-NZ 3.82Å; D75-K111 PolarHBondContact OD2-NZ 3.26Å; V97-K111 HydrophobicContact CB-CG 4.41Å; V97-K111 HydrophobicContact CG1-CB 4.06Å; V97-K111 HydrophobicContact CG1-CG 3.84Å; V97-K111 HydrophobicContact CG2-CG 4.33Å; L101-K111 HydrophobicContact CD1-CB 3.73Å; L101-K111 HydrophobicContact CD1-CG 4.09Å; A107-K111 WeakPolarHBondContact O-CB 3.49Å; A107-K111 PolarHBondContact O-N 3.44Å; S108-K111 PolarHBondContact O-N 3.22Å; I109-K111 PolarHBondContact O-N 3.46Å; K111-K113 PolarHBondContact O-N 2.81Å; K111-R114 WeakPolarHBondContact O-CB 3.31Å; K111-R114 PolarHBondContact O-N 2.89Å; K111-L115 HydrophobicContact CD-CG 4.45Å; K111-L115 HydrophobicContact CG-CD1 4.49Å; K111-L115 WeakPolarHBondContact O-CG 3.45Å; K111-L115 PolarHBondContact O-N 3.45Å
112A98.9Very high98.8Very high0 Ų048.7 Ų48.70%025%0.252CS..Hα-helixtrans-57-49175.200000112.3V97 S108 I109 R114 L115 I116 I131 L146V97-A112 HydrophobicContact CG2-CB 4.2Å; S108-A112 VanDerWaalsContact O-CB 3.29Å; S108-A112 WeakPolarHBondContact O-CB 3.42Å; S108-A112 PolarHBondContact O-N 3.25Å; I109-A112 WeakPolarHBondContact O-CB 3.31Å; I109-A112 PolarHBondContact O-N 2.98Å; A112-R114 VanDerWaalsContact C-N 3.27Å; A112-R114 PolarHBondContact O-N 3.12Å; A112-L115 PolarHBondContact O-N 2.81Å; A112-I116 PolarHBondContact O-N 2.88Å; A112-I131 HydrophobicContact CB-CB 4.44Å; A112-I131 HydrophobicContact CB-CG1 4.3Å; A112-I131 HydrophobicContact CB-CG2 3.58Å; A112-L146 HydrophobicContact CB-CD1 3.48Å; A112-L146 VanDerWaalsContact CB-CD1 3.48Å; A112-L146 HydrophobicContact CB-CD2 3.76Å; A112-L146 HydrophobicContact CB-CG 4.29Å
113K98.9Very high98.8Very high80 Ų8051.6 Ų51.635%0.34828%0.283SS..Hα-helixtrans-60.6-37.7177.4-72.7177179.7-175.30112.2I109 A110 K111 K117 L146 E149 I151I109-K113 HydrophobicContact CG2-CD 3.99Å; I109-K113 HydrophobicContact CG2-CG 4.48Å; I109-K113 WeakPolarHBondContact O-CG 3.42Å; I109-K113 PolarHBondContact O-N 2.74Å; A110-K113 PolarHBondContact O-N 2.75Å; K111-K113 PolarHBondContact O-N 2.81Å; K113-K117 WeakPolarHBondContact O-CB 3.41Å; K113-K117 PolarHBondContact O-N 2.84Å; K113-L146 HydrophobicContact CG-CD2 4.25Å; K113-E149 WeakPolarHBondContact CE-OE2 3.46Å; K113-E149 IonicContact NZ-OE1 2.77Å; K113-E149 PolarHBondContact NZ-OE1 3.22Å; K113-E149 IonicContact NZ-OE2 2.74Å; K113-E149 PolarHBondContact NZ-OE2 3.1Å; K113-I151 HydrophobicContact CG-CD1 4.06Å
114R98.6Very high98.8Very high73 Ų7347.2 Ų47.228%0.27527%0.268SS..Hα-helixtrans-64.2-45.2175.1-179.5179.1166121.126.5112.2D72 D75 A110 K111 A112 K117 L118D72-R114 IonicContact OD1-CZ 2.76Å; D72-R114 IonicContact OD1-NH1 3.77Å; D72-R114 PolarHBondContact OD1-NH1 2.82Å; D72-R114 IonicContact OD1-NH2 3.22Å; D72-R114 PolarHBondContact OD1-NH2 2.89Å; D72-R114 IonicContact OD2-NH2 2.96Å; D75-R114 WeakPolarHBondContact OD2-CD 3.47Å; D75-R114 IonicContact OD2-CZ 3.27Å; D75-R114 IonicContact OD2-NE 2.68Å; D75-R114 PolarHBondContact OD2-NE 3.42Å; D75-R114 IonicContact OD2-NH2 2.96Å; A110-R114 WeakPolarHBondContact O-CB 3.49Å; A110-R114 PolarHBondContact O-N 3.23Å; K111-R114 WeakPolarHBondContact O-CB 3.31Å; K111-R114 PolarHBondContact O-N 2.89Å; A112-R114 VanDerWaalsContact C-N 3.27Å; A112-R114 PolarHBondContact O-N 3.12Å; R114-K117 PolarHBondContact O-N 2.76Å; R114-L118 WeakPolarHBondContact O-CG 3.46Å; R114-L118 PolarHBondContact O-N 2.87Å; R114-L118 VanDerWaalsContact O-N 3.11Å
115L98.9Very high98.7Very high3 Ų346 Ų462%0.01627%0.266CS..Hα-helixtrans-62.7-45.7176.4-68.8172.6000111.6D75 V79 T95 V97 K111 A112 K117 L118 Y119 I131D75-L115 HydrophobicContact CB-CD2 4.05Å; V79-L115 HydrophobicContact CG2-CD2 4.17Å; T95-L115 HydrophobicContact CG2-CD1 4.36Å; V97-L115 HydrophobicContact CG2-CD1 4.29Å; K111-L115 HydrophobicContact CD-CG 4.45Å; K111-L115 HydrophobicContact CG-CD1 4.49Å; K111-L115 WeakPolarHBondContact O-CG 3.45Å; K111-L115 PolarHBondContact O-N 3.45Å; A112-L115 PolarHBondContact O-N 2.81Å; L115-K117 VanDerWaalsContact C-N 3.32Å; L115-K117 PolarHBondContact O-N 3.12Å; L115-L118 PolarHBondContact O-N 2.88Å; L115-Y119 WeakPolarHBondContact O-CD2 3.47Å; L115-Y119 PolarHBondContact O-N 2.94Å; L115-I131 HydrophobicContact CB-CD1 3.9Å; L115-I131 HydrophobicContact CD1-CD1 4.38Å
116I98.8Very high98.7Very high9 Ų946.2 Ų46.25%0.04627%0.266CS..Hα-helixtrans-58.3-45.1174.4-71.4-61000111.1A112 L118 Y119 N120 N126 I129 I131 I151A112-I116 PolarHBondContact O-N 2.88Å; I116-L118 VanDerWaalsContact C-N 3.29Å; I116-L118 PolarHBondContact O-N 2.95Å; I116-Y119 PolarHBondContact O-N 2.94Å; I116-Y119 VanDerWaalsContact O-N 3.14Å; I116-N120 PolarHBondContact O-N 3.44Å; I116-N120 PolarHBondContact O-OD1 3.14Å; I116-N120 VanDerWaalsContact O-OD1 3.06Å; I116-N126 WeakPolarHBondContact CG2-OD1 3.49Å; I116-I129 HydrophobicContact CD1-CB 4.01Å; I116-I129 HydrophobicContact CD1-CD1 3.96Å; I116-I129 HydrophobicContact CD1-CG2 3.69Å; I116-I131 HydrophobicContact CD1-CD1 3.78Å; I116-I131 HydrophobicContact CD1-CG1 3.79Å; I116-I131 HydrophobicContact CG1-CD1 3.85Å; I116-I131 HydrophobicContact CG1-CG1 3.74Å; I116-I151 HydrophobicContact CB-CD1 4.46Å; I116-I151 HydrophobicContact CD1-CG2 4.01Å; I116-I151 HydrophobicContact CG1-CB 4.49Å; I116-I151 HydrophobicContact CG1-CD1 4.06Å; I116-I151 HydrophobicContact CG1-CG1 4.06Å; I116-I151 HydrophobicContact CG1-CG2 3.68Å
117K98.7Very high98.7Very high116 Ų11643.8 Ų43.850%0.50426%0.257SS..Hα-helixtrans-56.6-43177.4175.6165.5171.341.70112.2K113 R114 L115 Y119 N120 D121K113-K117 WeakPolarHBondContact O-CB 3.41Å; K113-K117 PolarHBondContact O-N 2.84Å; R114-K117 PolarHBondContact O-N 2.76Å; L115-K117 VanDerWaalsContact C-N 3.32Å; L115-K117 PolarHBondContact O-N 3.12Å; K117-Y119 VanDerWaalsContact C-N 3.32Å; K117-Y119 PolarHBondContact O-N 3.47Å; K117-N120 PolarHBondContact O-N 3.36Å; K117-D121 IonicContact NZ-OD1 2.81Å; K117-D121 PolarHBondContact NZ-OD1 2.62Å; K117-D121 IonicContact NZ-OD2 2.74Å; K117-D121 PolarHBondContact NZ-OD2 2.99Å; K117-D121 WeakPolarHBondContact O-CB 3.47Å; K117-D121 PolarHBondContact O-N 2.94Å
118L98.8Very high98.7Very high10 Ų1045.4 Ų45.45%0.05226%0.258CS..Hα-helixtrans-63.1-36.5178.8-71.1169.1000112.9W58 D75 K76 V79 R114 L115 I116 A122W58-L118 HydrophobicContact CH2-CD2 3.45Å; W58-L118 VanDerWaalsContact CH2-CD2 3.45Å; W58-L118 HydrophobicContact CZ2-CD2 3.46Å; W58-L118 VanDerWaalsContact CZ2-CD2 3.46Å; W58-L118 HydrophobicContact CZ3-CD2 4.2Å; D75-L118 HydrophobicContact CB-CD1 3.97Å; K76-L118 HydrophobicContact CD-CD2 4.32Å; V79-L118 HydrophobicContact CB-CB 4.25Å; V79-L118 HydrophobicContact CG1-CB 4.01Å; V79-L118 HydrophobicContact CG2-CB 3.84Å; V79-L118 HydrophobicContact CG2-CD1 4.07Å; R114-L118 WeakPolarHBondContact O-CG 3.46Å; R114-L118 PolarHBondContact O-N 2.87Å; R114-L118 VanDerWaalsContact O-N 3.11Å; L115-L118 PolarHBondContact O-N 2.88Å; I116-L118 VanDerWaalsContact C-N 3.29Å; I116-L118 PolarHBondContact O-N 2.95Å; L118-A122 PolarHBondContact O-N 2.98Å
119Y98.9Very high98.7Very high0 Ų045.4 Ų45.40%026%0.257CS..Hα-helixtrans-69.6-43.2172.4-81.2-70.8000112.4V79 L83 L86 I93 T95 L115 I116 K117 D121 A122 G123 I124 I129V79-Y119 HydrophobicContact CB-CE1 4.49Å; V79-Y119 HydrophobicContact CB-CE2 4.35Å; V79-Y119 HydrophobicContact CG1-CD1 3.8Å; V79-Y119 HydrophobicContact CG1-CD2 4.18Å; V79-Y119 HydrophobicContact CG1-CE1 3.81Å; V79-Y119 HydrophobicContact CG1-CE2 4.2Å; V79-Y119 HydrophobicContact CG1-CG 3.96Å; V79-Y119 HydrophobicContact CG2-CD2 4.02Å; V79-Y119 HydrophobicContact CG2-CE2 3.72Å; L83-Y119 HydrophobicContact CD2-CD1 3.8Å; L83-Y119 HydrophobicContact CD2-CE1 4.12Å; L83-Y119 HydrophobicContact CG-CD1 4.3Å; L83-Y119 HydrophobicContact CG-CE1 4.25Å; L86-Y119 HydrophobicContact CD1-CD1 4.3Å; L86-Y119 HydrophobicContact CD1-CE1 4.1Å; I93-Y119 HydrophobicContact CG2-CE1 4.03Å; T95-Y119 PolarHBondContact OG1-OH 2.88Å; L115-Y119 WeakPolarHBondContact O-CD2 3.47Å; L115-Y119 PolarHBondContact O-N 2.94Å; I116-Y119 PolarHBondContact O-N 2.94Å; I116-Y119 VanDerWaalsContact O-N 3.14Å; K117-Y119 VanDerWaalsContact C-N 3.32Å; K117-Y119 PolarHBondContact O-N 3.47Å; Y119-D121 VanDerWaalsContact C-N 3.33Å; Y119-D121 PolarHBondContact O-N 3.37Å; Y119-A122 CarbonylContact O-C 3.58Å; Y119-A122 WeakPolarHBondContact O-CA 3.36Å; Y119-A122 WeakPolarHBondContact O-CB 3.46Å; Y119-A122 PolarHBondContact O-N 2.88Å; Y119-G123 PolarHBondContact O-N 3.34Å; Y119-I124 HydrophobicContact CD1-CB 4.36Å; Y119-I124 HydrophobicContact CD1-CG1 4.38Å; Y119-I124 HydrophobicContact CD1-CG2 4.44Å; Y119-I124 PolarHBondContact O-N 3.48Å; Y119-I129 HydrophobicContact CD1-CD1 4.2Å; Y119-I129 HydrophobicContact CD1-CG1 4.32Å; Y119-I129 HydrophobicContact CD2-CD1 3.78Å; Y119-I129 HydrophobicContact CD2-CG1 4.12Å; Y119-I129 HydrophobicContact CD2-CG2 3.98Å; Y119-I129 HydrophobicContact CE2-CG2 3.99Å; Y119-I129 HydrophobicContact CG-CD1 3.51Å; Y119-I129 HydrophobicContact CG-CG1 3.99Å
120N98.8Very high98.7Very high67 Ų6745.1 Ų45.136%0.35826%0.256SS..Hα-helixtrans-65.1-39.7-178.8-66.411.6000111.2I116 K117 A122 G123 I124 N126I116-N120 PolarHBondContact O-N 3.44Å; I116-N120 PolarHBondContact O-OD1 3.14Å; I116-N120 VanDerWaalsContact O-OD1 3.06Å; K117-N120 PolarHBondContact O-N 3.36Å; N120-A122 PolarHBondContact O-N 3.06Å; N120-G123 WeakPolarHBondContact O-CA 3.35Å; N120-G123 PolarHBondContact O-N 3.24Å; N120-I124 WeakPolarHBondContact CA-O 3.23Å; N120-I124 PolarHBondContact OD1-O 3.49Å; N120-I124 VanDerWaalsContact OD1-O 3.06Å; N120-N126 PolarHBondContact ND2-OD1 3.44Å; N120-N126 PolarHBondContact OD1-OD1 3.23Å
121D98.5Very high98.7Very high105 Ų10542.2 Ų42.256%0.56123%0.232SC*.Hα-helixtrans-62.9-24.8173.4-68.5-14.7000111.8K117 Y119 G123K117-D121 IonicContact NZ-OD1 2.81Å; K117-D121 PolarHBondContact NZ-OD1 2.62Å; K117-D121 IonicContact NZ-OD2 2.74Å; K117-D121 PolarHBondContact NZ-OD2 2.99Å; K117-D121 WeakPolarHBondContact O-CB 3.47Å; K117-D121 PolarHBondContact O-N 2.94Å; Y119-D121 VanDerWaalsContact C-N 3.33Å; Y119-D121 PolarHBondContact O-N 3.37Å; D121-G123 VanDerWaalsContact C-N 3.32Å
122A98.5Very high98.7Very high47 Ų4741.3 Ų41.339%0.38823%0.228SC..THydrogen-bonded Turntrans-89.28.4172.300000113.7L83 L118 Y119 N120L83-A122 HydrophobicContact CD1-CB 3.65Å; L83-A122 HydrophobicContact CD2-CB 3.82Å; L83-A122 HydrophobicContact CG-CB 4.4Å; L118-A122 PolarHBondContact O-N 2.98Å; Y119-A122 CarbonylContact O-C 3.58Å; Y119-A122 WeakPolarHBondContact O-CA 3.36Å; Y119-A122 WeakPolarHBondContact O-CB 3.46Å; Y119-A122 PolarHBondContact O-N 2.88Å; N120-A122 PolarHBondContact O-N 3.06Å
123G98.5Very high98.7Very high69 Ų6941.4 Ų41.471%0.71123%0.229SC*.THydrogen-bonded Turntrans80.213.8176.700000115.1Y119 N120 D121Y119-G123 PolarHBondContact O-N 3.34Å; N120-G123 WeakPolarHBondContact O-CA 3.35Å; N120-G123 PolarHBondContact O-N 3.24Å; D121-G123 VanDerWaalsContact C-N 3.32Å
124I98.8Very high98.7Very high35 Ų3537.9 Ų37.918%0.17921%0.214CC..  trans-91.9133.9175.8-56.2-54000109.9L83 L86 Y119 N120 R128 I129L83-I124 HydrophobicContact CD2-CD1 4.17Å; L83-I124 HydrophobicContact CD2-CG1 3.39Å; L86-I124 HydrophobicContact CD1-CD1 4.36Å; L86-I124 HydrophobicContact CD1-CG1 4.11Å; L86-I124 HydrophobicContact CD1-CG2 3.7Å; Y119-I124 HydrophobicContact CD1-CB 4.36Å; Y119-I124 HydrophobicContact CD1-CG1 4.38Å; Y119-I124 HydrophobicContact CD1-CG2 4.44Å; Y119-I124 PolarHBondContact O-N 3.48Å; N120-I124 WeakPolarHBondContact CA-O 3.23Å; N120-I124 PolarHBondContact OD1-O 3.49Å; N120-I124 VanDerWaalsContact OD1-O 3.06Å; I124-R128 HydrophobicContact CG2-CB 3.76Å; I124-R128 HydrophobicContact CG2-CG 4.41Å; I124-I129 HydrophobicContact CG2-CD1 3.93Å; I124-I129 HydrophobicContact CG2-CG1 3.95Å
125S98.3Very high98.7Very high57 Ų5734.4 Ų34.440%0.39920%0.201SC..  trans-84.5151.1176.853.90000112.7D127 R128S125-D127 WeakPolarHBondContact CB-OD1 3.48Å; S125-D127 PolarHBondContact O-N 3.09Å; S125-D127 PolarHBondContact OG-OD1 2.9Å; S125-R128 WeakPolarHBondContact O-CB 3.47Å; S125-R128 PolarHBondContact O-N 3.38Å
126N98.5Very high98.7Very high41 Ų4134.4 Ų34.422%0.21920%0.201CC..G310 helixtrans-55.2-28-177.7-69.516.8000114I116 N120 R128 I129 G150I116-N126 WeakPolarHBondContact CG2-OD1 3.49Å; N120-N126 PolarHBondContact ND2-OD1 3.44Å; N120-N126 PolarHBondContact OD1-OD1 3.23Å; N126-R128 PolarHBondContact O-N 2.91Å; N126-I129 PolarHBondContact O-N 2.82Å; N126-I129 VanDerWaalsContact O-N 3.12Å; N126-I129 VanDerWaalsContact O-O 3.13Å; N126-G150 PolarHBondContact ND2-O 3.36Å
127D98.2Very high98.7Very high85 Ų8535.3 Ų35.346%0.45520%0.204SC..G310 helixtrans-67.4-16.9179.364-76.2000113.7R92 S125R92-D127 WeakPolarHBondContact CD-O 3.42Å; R92-D127 WeakPolarHBondContact CG-O 3.38Å; R92-D127 PolarHBondContact NE-O 3.43Å; S125-D127 WeakPolarHBondContact CB-OD1 3.48Å; S125-D127 PolarHBondContact O-N 3.09Å; S125-D127 PolarHBondContact OG-OD1 2.9Å
128R98.6Very high98.7Very high61 Ų6132.2 Ų32.223%0.2319%0.192CC..G310 helixtrans-91.30.1175.4-62-67-57.3-77.61.3113.1L86 V89 G91 R92 I93 I124 S125 N126L86-R128 HydrophobicContact CD2-CB 4.2Å; L86-R128 PolarHBondContact O-NH2 3.02Å; V89-R128 PolarHBondContact O-NH2 3.17Å; G91-R128 PolarHBondContact O-NE 3Å; G91-R128 PolarHBondContact O-NH2 2.86Å; R92-R128 WeakPolarHBondContact CA-O 3.32Å; I93-R128 PolarHBondContact N-O 2.91Å; I124-R128 HydrophobicContact CG2-CB 3.76Å; I124-R128 HydrophobicContact CG2-CG 4.41Å; S125-R128 WeakPolarHBondContact O-CB 3.47Å; S125-R128 PolarHBondContact O-N 3.38Å; N126-R128 PolarHBondContact O-N 2.91Å
129I98.8Very high98.7Very high1 Ų131.8 Ų31.81%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-127.4141-170.9-50.6155.1000110I93 I116 Y119 I124 N126 I131I93-I129 CarbonylContact O-C 3.59Å; I93-I129 WeakPolarHBondContact O-CA 3.24Å; I116-I129 HydrophobicContact CD1-CB 4.01Å; I116-I129 HydrophobicContact CD1-CD1 3.96Å; I116-I129 HydrophobicContact CD1-CG2 3.69Å; Y119-I129 HydrophobicContact CD1-CD1 4.2Å; Y119-I129 HydrophobicContact CD1-CG1 4.32Å; Y119-I129 HydrophobicContact CD2-CD1 3.78Å; Y119-I129 HydrophobicContact CD2-CG1 4.12Å; Y119-I129 HydrophobicContact CD2-CG2 3.98Å; Y119-I129 HydrophobicContact CE2-CG2 3.99Å; Y119-I129 HydrophobicContact CG-CD1 3.51Å; Y119-I129 HydrophobicContact CG-CG1 3.99Å; I124-I129 HydrophobicContact CG2-CD1 3.93Å; I124-I129 HydrophobicContact CG2-CG1 3.95Å; N126-I129 PolarHBondContact O-N 2.82Å; N126-I129 VanDerWaalsContact O-N 3.12Å; N126-I129 VanDerWaalsContact O-O 3.13Å; I129-I131 HydrophobicContact CG2-CD1 4.26Å
130L98.9Very high98.7Very high4 Ų431.8 Ų31.82%0.02119%0.19CC..EExtended strand (participates in β ladder)trans-119.5119.8165.5-65.5170.8000108.8R92 I93 S94 T95 K132 N152 N154 F173 L174R92-L130 HydrophobicContact CB-CD1 4.39Å; R92-L130 HydrophobicContact CB-CG 4.33Å; I93-L130 PolarHBondContact O-N 3.18Å; S94-L130 CarbonylContact C-O 3.43Å; S94-L130 VanDerWaalsContact CA-O 3.25Å; S94-L130 WeakPolarHBondContact CA-O 3.37Å; T95-L130 PolarHBondContact N-O 3.25Å; L130-K132 PolarHBondContact O-N 3.3Å; L130-N152 CarbonylContact C-O 3.5Å; L130-N152 WeakPolarHBondContact CA-O 3.39Å; L130-N152 HydrophobicContact CD2-CB 3.54Å; L130-N154 HydrophobicContact CB-CB 4.17Å; L130-F173 HydrophobicContact CD1-CD1 4.31Å; L130-F173 HydrophobicContact CD1-CE1 4.49Å; L130-F173 HydrophobicContact CD2-CB 4.21Å; L130-F173 HydrophobicContact CD2-CD1 3.39Å; L130-F173 HydrophobicContact CD2-CE1 4.1Å; L130-F173 HydrophobicContact CD2-CG 3.94Å; L130-F173 HydrophobicContact CG-CD1 4.48Å; L130-L174 HydrophobicContact CD1-CD1 4.26Å
131I98.9Very high98.7Very high0 Ų031.2 Ų31.20%018%0.182CC..EExtended strand (participates in β ladder)trans-77.6123168.3-64.4-52.5000108.5V97 A112 L115 I116 I129 L133 I151 N152 C153 N154V97-I131 HydrophobicContact CG2-CG2 3.58Å; A112-I131 HydrophobicContact CB-CB 4.44Å; A112-I131 HydrophobicContact CB-CG1 4.3Å; A112-I131 HydrophobicContact CB-CG2 3.58Å; L115-I131 HydrophobicContact CB-CD1 3.9Å; L115-I131 HydrophobicContact CD1-CD1 4.38Å; I116-I131 HydrophobicContact CD1-CD1 3.78Å; I116-I131 HydrophobicContact CD1-CG1 3.79Å; I116-I131 HydrophobicContact CG1-CD1 3.85Å; I116-I131 HydrophobicContact CG1-CG1 3.74Å; I129-I131 HydrophobicContact CG2-CD1 4.26Å; I131-L133 HydrophobicContact CB-CD1 4.48Å; I131-L133 HydrophobicContact CG2-CD1 3.73Å; I131-L133 HydrophobicContact CG2-CG 4.23Å; I131-I151 HydrophobicContact CB-CG2 4.21Å; I131-I151 HydrophobicContact CG1-CG2 3.61Å; I131-N152 PolarHBondContact N-O 3.18Å; I131-C153 CarbonylContact O-C 3.57Å; I131-C153 WeakPolarHBondContact O-CA 3.25Å; I131-N154 PolarHBondContact O-N 2.88Å
132K98.9Very high98.8Very high4 Ų426.2 Ų26.22%0.01716%0.156CC..EExtended strand (participates in β ladder)trans-98.1130.2-178.1-176.1177.4177.7-148.50110.9T34 S94 T95 E96 V97 L130 N154 T156T34-K132 PolarHBondContact O-NZ 3.41Å; S94-K132 WeakPolarHBondContact OG-CB 3.12Å; T95-K132 PolarHBondContact O-N 3.06Å; E96-K132 WeakPolarHBondContact CA-O 3.26Å; E96-K132 HydrophobicContact CB-CB 4.07Å; E96-K132 HydrophobicContact CB-CD 4.2Å; E96-K132 HydrophobicContact CB-CG 4.29Å; E96-K132 HydrophobicContact CG-CB 4.2Å; E96-K132 HydrophobicContact CG-CD 4.24Å; E96-K132 HydrophobicContact CG-CG 4.04Å; E96-K132 WeakPolarHBondContact OE2-CD 3.3Å; E96-K132 VanDerWaalsContact OE2-CE 3.22Å; E96-K132 WeakPolarHBondContact OE2-CE 3.44Å; E96-K132 IonicContact OE2-NZ 3.14Å; E96-K132 PolarHBondContact OE2-NZ 3.28Å; V97-K132 PolarHBondContact N-O 3.13Å; L130-K132 PolarHBondContact O-N 3.3Å; K132-N154 CarbonylContact C-O 3.59Å; K132-N154 WeakPolarHBondContact CA-O 3.5Å; K132-N154 HydrophobicContact CB-CB 4.15Å; K132-N154 HydrophobicContact CG-CB 4.25Å; K132-N154 WeakPolarHBondContact CG-O 3.29Å; K132-T156 HydrophobicContact CD-CG2 4.17Å; K132-T156 VanDerWaalsContact CE-CG2 3.49Å; K132-T156 WeakPolarHBondContact CE-OG1 3.25Å; K132-T156 HydrophobicContact CG-CG2 3.65Å
133L98.9Very high98.8Very high3 Ų324 Ų242%0.01614%0.137CC..EExtended strand (participates in β ladder)trans-134.1151-179.6-56.5100.1000110.4V97 I131 A142 A143 L146 C153 N154 L155 T156V97-L133 HydrophobicContact CB-CG 4.4Å; V97-L133 HydrophobicContact CG2-CD2 4.23Å; V97-L133 HydrophobicContact CG2-CG 4.1Å; I131-L133 HydrophobicContact CB-CD1 4.48Å; I131-L133 HydrophobicContact CG2-CD1 3.73Å; I131-L133 HydrophobicContact CG2-CG 4.23Å; L133-A142 HydrophobicContact CD2-CB 4.08Å; L133-A143 HydrophobicContact CD1-CB 4.32Å; L133-L146 HydrophobicContact CD1-CD1 4.28Å; L133-L146 HydrophobicContact CD2-CD1 4.46Å; L133-C153 HydrophobicContact CD1-CB 4.25Å; L133-N154 PolarHBondContact N-O 2.87Å; L133-L155 HydrophobicContact CB-CD1 4.22Å; L133-L155 WeakPolarHBondContact O-CA 3.36Å; L133-T156 VanDerWaalsContact O-CG2 3.29Å; L133-T156 WeakPolarHBondContact O-CG2 3.4Å; L133-T156 PolarHBondContact O-N 3.47Å
134A98.8Very high98.8Very high5 Ų522 Ų224%0.04111%0.109CC..EExtended strand (participates in β ladder)trans-64.4141.117200000111S102 T136 T156 L157 I299S102-A134 WeakPolarHBondContact OG-CB 3.36Å; A134-T136 HydrophobicContact CB-CG2 4.3Å; A134-T136 PolarHBondContact O-N 3.33Å; A134-T156 CarbonylContact C-O 3.57Å; A134-L157 HydrophobicContact CB-CD1 4.01Å; A134-I299 HydrophobicContact CB-CD1 4.27Å; A134-I299 HydrophobicContact CB-CG1 4.24Å
135S98.9Very high98.8Very high0 Ų024.1 Ų24.10%012%0.118CC..  trans-78.643.2-178.9-540000112.8L155 T156 Q163S135-L155 VanDerWaalsContact OG-C 3.32Å; S135-L155 WeakPolarHBondContact OG-CB 3.49Å; S135-T156 VanDerWaalsContact CB-O 3.32Å; S135-T156 WeakPolarHBondContact CB-O 3.4Å; S135-T156 PolarHBondContact N-O 2.68Å; S135-T156 PolarHBondContact OG-N 2.89Å; S135-T156 PolarHBondContact OG-O 2.94Å; S135-Q163 WeakPolarHBondContact O-CG 2.98Å; S135-Q163 PolarHBondContact O-NE2 3.14Å
136T98.9Very high98.8Very high3 Ų321.4 Ų21.42%0.01810%0.099CC..SBendtrans-74.9167.416661.80000109.5S102 Y103 A134 Q138 G139 I140 L295 I299S102-T136 WeakPolarHBondContact O-CB 3.18Å; S102-T136 PolarHBondContact O-OG1 3.25Å; Y103-T136 HydrophobicContact CD1-CG2 3.95Å; Y103-T136 HydrophobicContact CE1-CG2 3.55Å; A134-T136 HydrophobicContact CB-CG2 4.3Å; A134-T136 PolarHBondContact O-N 3.33Å; T136-Q138 VanDerWaalsContact C-N 3.28Å; T136-Q138 PolarHBondContact O-N 3.02Å; T136-G139 PolarHBondContact O-N 2.66Å; T136-G139 PolarHBondContact OG1-N 2.92Å; T136-I140 WeakPolarHBondContact O-CB 3.41Å; T136-I140 WeakPolarHBondContact O-CD1 3.21Å; T136-I140 WeakPolarHBondContact O-CG1 3.49Å; T136-I140 PolarHBondContact O-N 3.11Å; T136-L295 HydrophobicContact CG2-CD1 4.32Å; T136-L295 HydrophobicContact CG2-CD2 4.27Å; T136-I299 HydrophobicContact CG2-CD1 3.82Å
137W98.9Very high98.8Very high28 Ų2821.1 Ų21.111%0.10610%0.097CC..Hα-helixtrans-55.9-47.3173.4-178.5-112.1000111.3I140 R141 I276 E278 F281W137-I140 PolarHBondContact O-N 2.8Å; W137-R141 HydrophobicContact CD2-CG 4.37Å; W137-R141 HydrophobicContact CZ2-CG 4.36Å; W137-R141 WeakPolarHBondContact O-CG 3.34Å; W137-R141 PolarHBondContact O-N 2.95Å; W137-I276 HydrophobicContact CZ3-CG2 4.45Å; W137-E278 VanDerWaalsContact CD1-OE1 3.31Å; W137-E278 HydrophobicContact CD2-CB 4.13Å; W137-E278 HydrophobicContact CD2-CG 3.95Å; W137-E278 HydrophobicContact CG-CG 4.01Å; W137-E278 HydrophobicContact CH2-CB 4.1Å; W137-E278 HydrophobicContact CZ2-CB 3.52Å; W137-E278 HydrophobicContact CZ2-CG 4.2Å; W137-E278 PolarHBondContact NE1-OE2 2.82Å; W137-F281 HydrophobicContact CB-CD1 3.93Å; W137-F281 HydrophobicContact CB-CE1 3.71Å; W137-F281 HydrophobicContact CD2-CD1 4.29Å; W137-F281 HydrophobicContact CE3-CB 3.8Å; W137-F281 AromaticContact CE3-CD1 3.67Å; W137-F281 HydrophobicContact CE3-CD1 3.67Å; W137-F281 HydrophobicContact CE3-CD2 4.2Å; W137-F281 HydrophobicContact CE3-CE1 4.35Å; W137-F281 AromaticContact CE3-CG 3.6Å; W137-F281 HydrophobicContact CE3-CG 3.6Å; W137-F281 HydrophobicContact CG-CD1 4.43Å; W137-F281 HydrophobicContact CZ3-CB 3.82Å; W137-F281 HydrophobicContact CZ3-CG 4.07Å
138Q98.9Very high98.9Very high52 Ų5223.8 Ų23.824%0.24310%0.104CC..Hα-helixtrans-62.9-45.1-179.6-6385-8.800112Y103 T105 T136 I140 R141 A142Y103-Q138 WeakPolarHBondContact O-CG 3.39Å; T105-Q138 WeakPolarHBondContact OG1-CB 3.4Å; T136-Q138 VanDerWaalsContact C-N 3.28Å; T136-Q138 PolarHBondContact O-N 3.02Å; Q138-I140 VanDerWaalsContact C-N 3.32Å; Q138-I140 PolarHBondContact O-N 2.79Å; Q138-R141 PolarHBondContact O-N 3.49Å; Q138-A142 WeakPolarHBondContact O-CB 3.23Å; Q138-A142 PolarHBondContact O-N 3.17Å
139G98.9Very high98.9Very high1 Ų124.8 Ų24.81%0.0111%0.112CC..Hα-helixtrans-62.8-38.2176.200000112.6T136 A142 A143T136-G139 PolarHBondContact O-N 2.66Å; T136-G139 PolarHBondContact OG1-N 2.92Å; G139-A142 PolarHBondContact O-N 3.33Å; G139-A143 WeakPolarHBondContact O-CB 3.47Å; G139-A143 PolarHBondContact O-N 2.93Å
140I99Very high98.8Very high0 Ų026.7 Ų26.70%013%0.131CC..Hα-helixtrans-67.8-42.1175.3-66.1167.1000111.2T136 W137 Q138 A143 E144 L155 A166 A170 F281T136-I140 WeakPolarHBondContact O-CB 3.41Å; T136-I140 WeakPolarHBondContact O-CD1 3.21Å; T136-I140 WeakPolarHBondContact O-CG1 3.49Å; T136-I140 PolarHBondContact O-N 3.11Å; W137-I140 PolarHBondContact O-N 2.8Å; Q138-I140 VanDerWaalsContact C-N 3.32Å; Q138-I140 PolarHBondContact O-N 2.79Å; I140-A143 PolarHBondContact O-N 2.84Å; I140-E144 PolarHBondContact O-N 3.39Å; I140-L155 HydrophobicContact CG1-CD1 4.07Å; I140-A166 HydrophobicContact CD1-CB 3.86Å; I140-A166 HydrophobicContact CG2-CB 4.34Å; I140-A170 HydrophobicContact CG2-CB 3.69Å; I140-F281 HydrophobicContact CD1-CE2 4.08Å; I140-F281 HydrophobicContact CD1-CZ 4.41Å
141R98.9Very high98.8Very high55 Ų5527 Ų2721%0.20813%0.133CC..Hα-helixtrans-66.1-39.2175.7-66.1-53.891.6-177.7-1.9111.8T105 W137 Q138 E144 Q145T105-R141 HydrophobicContact CG2-CB 4.19Å; W137-R141 HydrophobicContact CD2-CG 4.37Å; W137-R141 HydrophobicContact CZ2-CG 4.36Å; W137-R141 WeakPolarHBondContact O-CG 3.34Å; W137-R141 PolarHBondContact O-N 2.95Å; Q138-R141 PolarHBondContact O-N 3.49Å; R141-E144 IonicContact CZ-OE2 2.66Å; R141-E144 IonicContact NE-OE2 2.64Å; R141-E144 IonicContact NH1-OE2 2.79Å; R141-E144 PolarHBondContact NH1-OE2 2.83Å; R141-E144 IonicContact NH2-OE2 3.95Å; R141-E144 PolarHBondContact O-N 2.92Å; R141-Q145 PolarHBondContact O-N 3.27Å
142A98.9Very high98.8Very high0 Ų028.6 Ų28.60%014%0.141CC..Hα-helixtrans-60.4-47.7173.700000110.8T105 I109 L133 Q138 G139 E144 Q145 L146T105-A142 HydrophobicContact CG2-CB 4.05Å; I109-A142 HydrophobicContact CD1-CB 4.39Å; I109-A142 HydrophobicContact CG1-CB 3.76Å; L133-A142 HydrophobicContact CD2-CB 4.08Å; Q138-A142 WeakPolarHBondContact O-CB 3.23Å; Q138-A142 PolarHBondContact O-N 3.17Å; G139-A142 PolarHBondContact O-N 3.33Å; A142-E144 PolarHBondContact O-N 3.39Å; A142-Q145 PolarHBondContact O-N 2.91Å; A142-L146 VanDerWaalsContact O-CG 3.26Å; A142-L146 WeakPolarHBondContact O-CG 3.48Å; A142-L146 PolarHBondContact O-N 2.84Å
143A98.9Very high98.8Very high0 Ų028.4 Ų28.40%014%0.14CC..Hα-helixtrans-61.3-43.3176.900000112.7L133 G139 I140 Q145 L146 E147 C153 L155 V172L133-A143 HydrophobicContact CD1-CB 4.32Å; G139-A143 WeakPolarHBondContact O-CB 3.47Å; G139-A143 PolarHBondContact O-N 2.93Å; I140-A143 PolarHBondContact O-N 2.84Å; A143-Q145 PolarHBondContact O-N 3.44Å; A143-L146 PolarHBondContact O-N 2.91Å; A143-L146 VanDerWaalsContact O-N 3.12Å; A143-E147 WeakPolarHBondContact O-CB 3.32Å; A143-E147 WeakPolarHBondContact O-CG 3.31Å; A143-E147 PolarHBondContact O-N 2.99Å; A143-C153 HydrophobicContact CB-CB 3.85Å; A143-L155 HydrophobicContact CB-CD1 4.14Å; A143-L155 HydrophobicContact CB-CD2 3.62Å; A143-L155 HydrophobicContact CB-CG 4.33Å; A143-V172 HydrophobicContact CB-CG1 3.72Å
144E98.9Very high98.8Very high27 Ų2728.2 Ų28.213%0.12614%0.14CC..Hα-helixtrans-56.5-39.4176.5-177.9170.9-155.300112.3I140 R141 A142 K148 A170 R275I140-E144 PolarHBondContact O-N 3.39Å; R141-E144 IonicContact CZ-OE2 2.66Å; R141-E144 IonicContact NE-OE2 2.64Å; R141-E144 IonicContact NH1-OE2 2.79Å; R141-E144 PolarHBondContact NH1-OE2 2.83Å; R141-E144 IonicContact NH2-OE2 3.95Å; R141-E144 PolarHBondContact O-N 2.92Å; A142-E144 PolarHBondContact O-N 3.39Å; E144-K148 WeakPolarHBondContact O-CD 3.47Å; E144-K148 WeakPolarHBondContact O-CG 3.45Å; E144-K148 PolarHBondContact O-N 3.23Å; E144-K148 IonicContact OE1-NZ 2.95Å; E144-A170 HydrophobicContact CB-CB 3.91Å; E144-A170 HydrophobicContact CG-CB 4.38Å; E144-R275 IonicContact OE1-CZ 2.81Å; E144-R275 IonicContact OE1-NH1 3.69Å; E144-R275 IonicContact OE1-NH2 3.66Å; E144-R275 PolarHBondContact OE1-NH2 3.46Å; E144-R275 IonicContact OE2-NH2 2.69Å
145Q98.9Very high98.8Very high79 Ų7928 Ų2837%0.36914%0.138SC..Hα-helixtrans-70.8-43.9176-179.457.430.100111.6I109 R141 A142 A143 E147 K148 E149I109-Q145 HydrophobicContact CD1-CB 4.04Å; I109-Q145 HydrophobicContact CD1-CG 4.04Å; R141-Q145 PolarHBondContact O-N 3.27Å; A142-Q145 PolarHBondContact O-N 2.91Å; A143-Q145 PolarHBondContact O-N 3.44Å; Q145-E147 PolarHBondContact O-N 2.9Å; Q145-K148 PolarHBondContact O-N 3.4Å; Q145-E149 PolarHBondContact NE2-OE1 3.12Å; Q145-E149 WeakPolarHBondContact O-CG 3.29Å; Q145-E149 PolarHBondContact O-N 3.2Å
146L98.9Very high98.8Very high0 Ų028 Ų280%014%0.138CC..Hα-helixtrans-61.2-41.6178.7-71.1166.5000112.2I109 A112 K113 L133 A142 A143 K148 E149 G150 I151I109-L146 HydrophobicContact CG1-CG 4.4Å; I109-L146 HydrophobicContact CG2-CD2 4.15Å; A112-L146 HydrophobicContact CB-CD1 3.48Å; A112-L146 VanDerWaalsContact CB-CD1 3.48Å; A112-L146 HydrophobicContact CB-CD2 3.76Å; A112-L146 HydrophobicContact CB-CG 4.29Å; K113-L146 HydrophobicContact CG-CD2 4.25Å; L133-L146 HydrophobicContact CD1-CD1 4.28Å; L133-L146 HydrophobicContact CD2-CD1 4.46Å; A142-L146 VanDerWaalsContact O-CG 3.26Å; A142-L146 WeakPolarHBondContact O-CG 3.48Å; A142-L146 PolarHBondContact O-N 2.84Å; A143-L146 PolarHBondContact O-N 2.91Å; A143-L146 VanDerWaalsContact O-N 3.12Å; L146-K148 VanDerWaalsContact C-N 3.35Å; L146-K148 PolarHBondContact O-N 3.08Å; L146-E149 CarbonylContact O-C 3.58Å; L146-E149 WeakPolarHBondContact O-CA 3.04Å; L146-E149 WeakPolarHBondContact O-CB 3.46Å; L146-E149 PolarHBondContact O-N 3.44Å; L146-G150 PolarHBondContact O-N 2.66Å; L146-I151 CarbonylContact C-O 3.59Å; L146-I151 HydrophobicContact CB-CB 4.07Å; L146-I151 HydrophobicContact CB-CG2 4.24Å; L146-I151 HydrophobicContact CD2-CB 4.32Å; L146-I151 HydrophobicContact CD2-CD1 3.79Å; L146-I151 HydrophobicContact CD2-CG2 4.29Å; L146-I151 WeakPolarHBondContact O-CB 3.31Å; L146-I151 PolarHBondContact O-N 3.38Å
147E98.8Very high98.8Very high35 Ų3527.9 Ų27.916%0.16414%0.137CC..Hα-helixtrans-61.1-42.5176.6-68.9-73.4-179.300111.6A143 Q145 E149 G150 I151 C153 V172 F173A143-E147 WeakPolarHBondContact O-CB 3.32Å; A143-E147 WeakPolarHBondContact O-CG 3.31Å; A143-E147 PolarHBondContact O-N 2.99Å; Q145-E147 PolarHBondContact O-N 2.9Å; E147-E149 PolarHBondContact O-N 2.94Å; E147-G150 PolarHBondContact O-N 2.67Å; E147-I151 PolarHBondContact N-O 2.93Å; E147-C153 HydrophobicContact CG-CB 4.45Å; E147-C153 WeakPolarHBondContact OE1-CB 3.26Å; E147-C153 PolarHBondContact OE1-N 2.88Å; E147-V172 WeakPolarHBondContact OE1-CA 3.35Å; E147-F173 WeakPolarHBondContact OE1-CB 3.47Å; E147-F173 PolarHBondContact OE1-N 2.73Å
148K98.7Very high98.8Very high142 Ų14226.5 Ų26.562%0.61713%0.132SC*.Hα-helixtrans-62.6-23.5174.5-69.8167.1-172.8166.50112.8E144 Q145 L146E144-K148 WeakPolarHBondContact O-CD 3.47Å; E144-K148 WeakPolarHBondContact O-CG 3.45Å; E144-K148 PolarHBondContact O-N 3.23Å; E144-K148 IonicContact OE1-NZ 2.95Å; Q145-K148 PolarHBondContact O-N 3.4Å; L146-K148 VanDerWaalsContact C-N 3.35Å; L146-K148 PolarHBondContact O-N 3.08Å
149E98.5Very high98.8Very high82 Ų8224.1 Ų24.138%0.38312%0.12SC..THydrogen-bonded Turntrans-93.96.4176.3-64.6-176.7-149.200113.3K113 Q145 L146 E147K113-E149 WeakPolarHBondContact CE-OE2 3.46Å; K113-E149 IonicContact NZ-OE1 2.77Å; K113-E149 PolarHBondContact NZ-OE1 3.22Å; K113-E149 IonicContact NZ-OE2 2.74Å; K113-E149 PolarHBondContact NZ-OE2 3.1Å; Q145-E149 PolarHBondContact NE2-OE1 3.12Å; Q145-E149 WeakPolarHBondContact O-CG 3.29Å; Q145-E149 PolarHBondContact O-N 3.2Å; L146-E149 CarbonylContact O-C 3.58Å; L146-E149 WeakPolarHBondContact O-CA 3.04Å; L146-E149 WeakPolarHBondContact O-CB 3.46Å; L146-E149 PolarHBondContact O-N 3.44Å; E147-E149 PolarHBondContact O-N 2.94Å
150G98.5Very high98.8Very high40 Ų4024.3 Ų24.341%0.41212%0.122SC..THydrogen-bonded Turntrans76.226.3179.500000113.9N126 L146 E147N126-G150 PolarHBondContact ND2-O 3.36Å; L146-G150 PolarHBondContact O-N 2.66Å; E147-G150 PolarHBondContact O-N 2.67Å
151I98.8Very high98.8Very high10 Ų1028 Ų285%0.05114%0.138CC..  trans-108.9101.7171.8-62.6171.4000108.1K113 I116 I131 L146 E147 C153K113-I151 HydrophobicContact CG-CD1 4.06Å; I116-I151 HydrophobicContact CB-CD1 4.46Å; I116-I151 HydrophobicContact CD1-CG2 4.01Å; I116-I151 HydrophobicContact CG1-CB 4.49Å; I116-I151 HydrophobicContact CG1-CD1 4.06Å; I116-I151 HydrophobicContact CG1-CG1 4.06Å; I116-I151 HydrophobicContact CG1-CG2 3.68Å; I131-I151 HydrophobicContact CB-CG2 4.21Å; I131-I151 HydrophobicContact CG1-CG2 3.61Å; L146-I151 CarbonylContact C-O 3.59Å; L146-I151 HydrophobicContact CB-CB 4.07Å; L146-I151 HydrophobicContact CB-CG2 4.24Å; L146-I151 HydrophobicContact CD2-CB 4.32Å; L146-I151 HydrophobicContact CD2-CD1 3.79Å; L146-I151 HydrophobicContact CD2-CG2 4.29Å; L146-I151 WeakPolarHBondContact O-CB 3.31Å; L146-I151 PolarHBondContact O-N 3.38Å; E147-I151 PolarHBondContact N-O 2.93Å; I151-C153 PolarHBondContact O-SG 2.96Å; I151-C153 VanDerWaalsContact O-SG 3.37Å
152N98.9Very high98.8Very high34 Ų3425.6 Ų25.618%0.18213%0.129CC..  trans-66.1138.5-179.5-59-52.5000111L130 I131 F173L130-N152 CarbonylContact C-O 3.5Å; L130-N152 WeakPolarHBondContact CA-O 3.39Å; L130-N152 HydrophobicContact CD2-CB 3.54Å; I131-N152 PolarHBondContact N-O 3.18Å; N152-F173 HydrophobicContact CB-CB 4.02Å; N152-F173 HydrophobicContact CB-CG 4.23Å
153C98.9Very high98.8Very high0 Ų025.6 Ų25.60%013%0.129CC..EExtended strand (participates in β ladder)trans-119.6149.3-173.4-67.30000113.5I131 L133 A143 E147 I151 L155 L174I131-C153 CarbonylContact O-C 3.57Å; I131-C153 WeakPolarHBondContact O-CA 3.25Å; L133-C153 HydrophobicContact CD1-CB 4.25Å; A143-C153 HydrophobicContact CB-CB 3.85Å; E147-C153 HydrophobicContact CG-CB 4.45Å; E147-C153 WeakPolarHBondContact OE1-CB 3.26Å; E147-C153 PolarHBondContact OE1-N 2.88Å; I151-C153 PolarHBondContact O-SG 2.96Å; I151-C153 VanDerWaalsContact O-SG 3.37Å; C153-L155 HydrophobicContact CB-CD2 3.82Å; C153-L174 PolarHBondContact O-N 3.1Å; C153-L174 VanDerWaalsContact O-N 3.12Å
154N98.9Very high98.8Very high0 Ų025.6 Ų25.60%013%0.129CC..EExtended strand (participates in β ladder)trans-118.5114.3170.4172.56.4000109.8S94 L130 I131 K132 L133 L174 S176S94-N154 WeakPolarHBondContact OG-CB 3.42Å; S94-N154 PolarHBondContact OG-ND2 2.94Å; L130-N154 HydrophobicContact CB-CB 4.17Å; I131-N154 PolarHBondContact O-N 2.88Å; K132-N154 CarbonylContact C-O 3.59Å; K132-N154 WeakPolarHBondContact CA-O 3.5Å; K132-N154 HydrophobicContact CB-CB 4.15Å; K132-N154 HydrophobicContact CG-CB 4.25Å; K132-N154 WeakPolarHBondContact CG-O 3.29Å; L133-N154 PolarHBondContact N-O 2.87Å; N154-L174 CarbonylContact C-O 3.6Å; N154-L174 WeakPolarHBondContact CA-O 3.33Å; N154-L174 HydrophobicContact CB-CD2 3.91Å; N154-L174 WeakPolarHBondContact OD1-CD2 3.41Å; N154-S176 PolarHBondContact ND2-OG 3.33Å; N154-S176 WeakPolarHBondContact OD1-CB 3.42Å; N154-S176 PolarHBondContact OD1-OG 2.72Å
155L98.9Very high98.8Very high0 Ų026.2 Ų26.20%013%0.131CC..EExtended strand (participates in β ladder)trans-94.1109.6-177.2-80.4-69000110.1L133 S135 I140 A143 C153 V172 L174 I175 S176L133-L155 HydrophobicContact CB-CD1 4.22Å; L133-L155 WeakPolarHBondContact O-CA 3.36Å; S135-L155 VanDerWaalsContact OG-C 3.32Å; S135-L155 WeakPolarHBondContact OG-CB 3.49Å; I140-L155 HydrophobicContact CG1-CD1 4.07Å; A143-L155 HydrophobicContact CB-CD1 4.14Å; A143-L155 HydrophobicContact CB-CD2 3.62Å; A143-L155 HydrophobicContact CB-CG 4.33Å; C153-L155 HydrophobicContact CB-CD2 3.82Å; L155-V172 HydrophobicContact CD2-CB 3.7Å; L155-V172 HydrophobicContact CD2-CG1 3.57Å; L155-V172 HydrophobicContact CD2-CG2 3.91Å; L155-V172 HydrophobicContact CG-CB 4.46Å; L155-V172 HydrophobicContact CG-CG1 4.13Å; L155-V172 HydrophobicContact CG-CG2 4.26Å; L155-L174 PolarHBondContact N-O 3.37Å; L155-I175 HydrophobicContact CB-CG2 4.13Å; L155-I175 CarbonylContact O-C 3.35Å; L155-I175 WeakPolarHBondContact O-CA 3.4Å; L155-S176 PolarHBondContact O-N 3.49Å
156T98.8Very high98.8Very high0 Ų022.4 Ų22.40%011%0.113CC..EExtended strand (participates in β ladder)trans-103.8178.4-173.8-170.30000112.2E96 K132 L133 A134 S135 L158 F178E96-T156 WeakPolarHBondContact OE1-CG2 3.25Å; K132-T156 HydrophobicContact CD-CG2 4.17Å; K132-T156 VanDerWaalsContact CE-CG2 3.49Å; K132-T156 WeakPolarHBondContact CE-OG1 3.25Å; K132-T156 HydrophobicContact CG-CG2 3.65Å; L133-T156 VanDerWaalsContact O-CG2 3.29Å; L133-T156 WeakPolarHBondContact O-CG2 3.4Å; L133-T156 PolarHBondContact O-N 3.47Å; A134-T156 CarbonylContact C-O 3.57Å; S135-T156 VanDerWaalsContact CB-O 3.32Å; S135-T156 WeakPolarHBondContact CB-O 3.4Å; S135-T156 PolarHBondContact N-O 2.68Å; S135-T156 PolarHBondContact OG-N 2.89Å; S135-T156 PolarHBondContact OG-O 2.94Å; T156-L158 PolarHBondContact O-N 2.65Å; T156-F178 WeakPolarHBondContact OG1-CE1 3.44Å; T156-F178 WeakPolarHBondContact OG1-CZ 3.39Å
157L98.8Very high98.8Very high0 Ų022.4 Ų22.40%011%0.113CC..EExtended strand (participates in β ladder)trans55.242.5-178.4-60.1-179.8000110.9A134 F159 Q163 F178 L295 I299 F302A134-L157 HydrophobicContact CB-CD1 4.01Å; L157-F159 HydrophobicContact CB-CE2 3.83Å; L157-F159 HydrophobicContact CB-CZ 4.46Å; L157-F159 HydrophobicContact CD2-CE2 4.2Å; L157-F159 HydrophobicContact CD2-CZ 4.13Å; L157-F159 WeakPolarHBondContact O-CD2 3.25Å; L157-F159 WeakPolarHBondContact O-CE2 3.47Å; L157-Q163 PolarHBondContact O-NE2 3.4Å; L157-F178 HydrophobicContact CD2-CD2 4.12Å; L157-F178 HydrophobicContact CD2-CE2 3.62Å; L157-F178 HydrophobicContact CD2-CZ 4.11Å; L157-L295 HydrophobicContact CB-CD1 3.86Å; L157-I299 HydrophobicContact CD1-CG1 3.69Å; L157-F302 HydrophobicContact CD1-CD2 4.03Å; L157-F302 HydrophobicContact CD1-CE2 4.14Å; L157-F302 HydrophobicContact CD2-CD2 4.37Å; L157-F302 HydrophobicContact CD2-CE2 3.79Å; L157-F302 HydrophobicContact CD2-CZ 4.36Å; L157-F302 HydrophobicContact CG-CD2 4.45Å; L157-F302 HydrophobicContact CG-CE2 4.06Å
158L98.9Very high98.8Very high0 Ų021 Ų210%011%0.107CC..EExtended strand (participates in β ladder)trans-98.4119.2-179.5-171.5177000108.2T156 S160 Q163 A164 I175 P177 F178 I209T156-L158 PolarHBondContact O-N 2.65Å; L158-S160 WeakPolarHBondContact CD2-O 3.22Å; L158-Q163 HydrophobicContact CD2-CB 4.24Å; L158-Q163 HydrophobicContact CG-CB 3.8Å; L158-A164 HydrophobicContact CD1-CB 4.2Å; L158-A164 HydrophobicContact CD2-CB 4.24Å; L158-I175 HydrophobicContact CD1-CB 3.73Å; L158-I175 HydrophobicContact CD1-CD1 3.64Å; L158-I175 HydrophobicContact CD1-CG1 4.26Å; L158-I175 HydrophobicContact CD1-CG2 4.06Å; L158-P177 HydrophobicContact CD2-CB 4.03Å; L158-P177 WeakPolarHBondContact O-CA 3.45Å; L158-F178 PolarHBondContact O-N 3Å; L158-F178 VanDerWaalsContact O-N 3.12Å; L158-I209 HydrophobicContact CD2-CD1 3.91Å
159F98.9Very high98.8Very high1 Ų114.8 Ų14.80%0.0048%0.08CC..  trans-129.8-15.5-173.4-57.7-73.2000113.3L157 F178 R181 I182 M290 A291 K294 L295L157-F159 HydrophobicContact CB-CE2 3.83Å; L157-F159 HydrophobicContact CB-CZ 4.46Å; L157-F159 HydrophobicContact CD2-CE2 4.2Å; L157-F159 HydrophobicContact CD2-CZ 4.13Å; L157-F159 WeakPolarHBondContact O-CD2 3.25Å; L157-F159 WeakPolarHBondContact O-CE2 3.47Å; F159-F178 HydrophobicContact CD1-CB 4.18Å; F159-F178 HydrophobicContact CE1-CB 3.46Å; F159-F178 VanDerWaalsContact CE1-CB 3.46Å; F159-F178 HydrophobicContact CE1-CD2 4.22Å; F159-F178 HydrophobicContact CE1-CG 4.18Å; F159-F178 HydrophobicContact CZ-CB 4.01Å; F159-F178 AromaticContact CZ-CD2 3.98Å; F159-F178 HydrophobicContact CZ-CD2 3.98Å; F159-F178 HydrophobicContact CZ-CG 4.24Å; F159-R181 HydrophobicContact CE1-CB 3.78Å; F159-I182 HydrophobicContact CD1-CG1 4.02Å; F159-M290 HydrophobicContact CB-CE 4.45Å; F159-M290 HydrophobicContact CB-SD 4.13Å; F159-M290 HydrophobicContact CD1-SD 4.46Å; F159-M290 VanDerWaalsContact O-CE 3.32Å; F159-M290 WeakPolarHBondContact O-CE 3.48Å; F159-A291 HydrophobicContact CB-CB 3.83Å; F159-K294 HydrophobicContact CD1-CB 3.71Å; F159-K294 HydrophobicContact CD2-CB 3.98Å; F159-K294 HydrophobicContact CE1-CB 3.71Å; F159-K294 VanDerWaalsContact CE2-C 3.43Å; F159-K294 HydrophobicContact CE2-CB 3.98Å; F159-K294 WeakPolarHBondContact CE2-O 3.08Å; F159-K294 HydrophobicContact CG-CB 3.85Å; F159-K294 HydrophobicContact CZ-CB 3.85Å; F159-L295 HydrophobicContact CD2-CB 4.03Å; F159-L295 HydrophobicContact CE2-CB 4.33Å
160S98.8Very high98.8Very high6 Ų611.3 Ų11.34%0.0427%0.065CC..SBendtrans-124.9157.2176.575.70000114L158 A162 Q163 A164 H285L158-S160 WeakPolarHBondContact CD2-O 3.22Å; S160-A162 PolarHBondContact O-N 3.42Å; S160-Q163 WeakPolarHBondContact O-CB 3.39Å; S160-Q163 PolarHBondContact O-N 3.37Å; S160-Q163 PolarHBondContact OG-N 3.39Å; S160-A164 PolarHBondContact O-N 2.94Å; S160-H285 PolarHBondContact OG-ND1 3Å
161F98.8Very high98.8Very high78 Ų7811.5 Ų11.534%0.3427%0.067SC..Hα-helixtrans-60.2-34173.1-174.9-97.6000112.6Q163 A164 R165 I209 Y212F161-Q163 VanDerWaalsContact C-N 3.31Å; F161-Q163 PolarHBondContact O-N 2.85Å; F161-A164 PolarHBondContact O-N 2.89Å; F161-R165 HydrophobicContact CE1-CB 4.25Å; F161-R165 WeakPolarHBondContact O-CB 3.32Å; F161-R165 PolarHBondContact O-N 2.74Å; F161-I209 HydrophobicContact CD2-CG1 4.35Å; F161-Y212 AromaticContact CE2-CD1 3.68Å; F161-Y212 HydrophobicContact CE2-CD1 3.68Å; F161-Y212 HydrophobicContact CE2-CD2 4.15Å; F161-Y212 HydrophobicContact CE2-CE1 4.39Å; F161-Y212 AromaticContact CE2-CG 3.58Å; F161-Y212 HydrophobicContact CE2-CG 3.58Å; F161-Y212 AromaticContact CZ-CD1 3.53Å; F161-Y212 HydrophobicContact CZ-CD1 3.53Å; F161-Y212 AromaticContact CZ-CD2 3.6Å; F161-Y212 HydrophobicContact CZ-CD2 3.6Å; F161-Y212 AromaticContact CZ-CE1 3.84Å; F161-Y212 HydrophobicContact CZ-CE1 3.84Å; F161-Y212 AromaticContact CZ-CE2 3.85Å; F161-Y212 HydrophobicContact CZ-CE2 3.85Å; F161-Y212 AromaticContact CZ-CG 3.45Å; F161-Y212 HydrophobicContact CZ-CG 3.45Å; F161-Y212 VanDerWaalsContact CZ-CG 3.45Å; F161-Y212 AromaticContact CZ-CZ 3.99Å
162A98.8Very high98.8Very high3 Ų311.1 Ų11.13%0.0257%0.065CC..Hα-helixtrans-59.8-41.117600000112S160 A166 F281 Q284 H285S160-A162 PolarHBondContact O-N 3.42Å; A162-A166 VanDerWaalsContact O-CB 3.3Å; A162-A166 WeakPolarHBondContact O-CB 3.47Å; A162-A166 PolarHBondContact O-N 2.87Å; A162-F281 HydrophobicContact CB-CD2 4.2Å; A162-Q284 HydrophobicContact CB-CB 3.75Å; A162-H285 HydrophobicContact CB-CB 4.3Å
163Q98.9Very high98.8Very high0 Ų011.7 Ų11.70%07%0.067CC..Hα-helixtrans-63-48.1172.5-63.3174.2-7100111.6S135 L157 L158 S160 F161 R165 A166 C167 F281S135-Q163 WeakPolarHBondContact O-CG 2.98Å; S135-Q163 PolarHBondContact O-NE2 3.14Å; L157-Q163 PolarHBondContact O-NE2 3.4Å; L158-Q163 HydrophobicContact CD2-CB 4.24Å; L158-Q163 HydrophobicContact CG-CB 3.8Å; S160-Q163 WeakPolarHBondContact O-CB 3.39Å; S160-Q163 PolarHBondContact O-N 3.37Å; S160-Q163 PolarHBondContact OG-N 3.39Å; F161-Q163 VanDerWaalsContact C-N 3.31Å; F161-Q163 PolarHBondContact O-N 2.85Å; Q163-R165 PolarHBondContact O-N 2.89Å; Q163-A166 PolarHBondContact O-N 3.24Å; Q163-C167 WeakPolarHBondContact O-CB 3.28Å; Q163-C167 PolarHBondContact O-N 3.24Å; Q163-C167 PolarHBondContact O-SG 3.22Å; Q163-F281 HydrophobicContact CB-CE2 4.37Å; Q163-F281 HydrophobicContact CG-CE2 3.86Å; Q163-F281 HydrophobicContact CG-CZ 4.07Å
164A98.9Very high98.8Very high0 Ų011.7 Ų11.70%07%0.067CC..Hα-helixtrans-58.6-50177.900000112.4L158 S160 F161 A166 C167 A168 I175 I209 Y213L158-A164 HydrophobicContact CD1-CB 4.2Å; L158-A164 HydrophobicContact CD2-CB 4.24Å; S160-A164 PolarHBondContact O-N 2.94Å; F161-A164 PolarHBondContact O-N 2.89Å; A164-A166 PolarHBondContact O-N 3.11Å; A164-C167 PolarHBondContact O-N 2.77Å; A164-A168 PolarHBondContact O-N 2.9Å; A164-I175 HydrophobicContact CB-CD1 4.37Å; A164-I209 HydrophobicContact CB-CB 4.32Å; A164-I209 HydrophobicContact CB-CD1 3.74Å; A164-I209 HydrophobicContact CB-CG1 3.62Å; A164-I209 HydrophobicContact CB-CG2 3.76Å; A164-Y213 HydrophobicContact CB-CE1 4.29Å; A164-Y213 PolarHBondContact O-OH 2.98Å
165R98.7Very high98.8Very high40 Ų4011.7 Ų11.715%0.1517%0.067CC..Hα-helixtrans-59.4-48.5179.1175.7175.8171.3-169.8-2.9111.8F161 Q163 C167 A168 E169 Y212 A274F161-R165 HydrophobicContact CE1-CB 4.25Å; F161-R165 WeakPolarHBondContact O-CB 3.32Å; F161-R165 PolarHBondContact O-N 2.74Å; Q163-R165 PolarHBondContact O-N 2.89Å; R165-C167 VanDerWaalsContact C-N 3.28Å; R165-C167 PolarHBondContact O-N 3.03Å; R165-A168 PolarHBondContact O-N 3.03Å; R165-E169 HydrophobicContact CG-CG 4.38Å; R165-E169 VanDerWaalsContact CG-OE1 3.26Å; R165-E169 WeakPolarHBondContact CG-OE1 3.36Å; R165-E169 IonicContact CZ-OE1 3.89Å; R165-E169 IonicContact NE-OE1 2.78Å; R165-E169 PolarHBondContact NE-OE1 2.89Å; R165-E169 IonicContact NH2-OE1 3.53Å; R165-E169 WeakPolarHBondContact O-CG 3.29Å; R165-E169 PolarHBondContact O-N 3.04Å; R165-Y212 HydrophobicContact CB-CE1 4.23Å; R165-Y212 HydrophobicContact CG-CE1 4.27Å; R165-A274 PolarHBondContact NH2-O 3.49Å
166A98.9Very high98.8Very high0 Ų011.8 Ų11.80%07%0.067CC..Hα-helixtrans-61.6-35.1179.600000112.6I140 A162 Q163 A164 A170 I276 F281I140-A166 HydrophobicContact CD1-CB 3.86Å; I140-A166 HydrophobicContact CG2-CB 4.34Å; A162-A166 VanDerWaalsContact O-CB 3.3Å; A162-A166 WeakPolarHBondContact O-CB 3.47Å; A162-A166 PolarHBondContact O-N 2.87Å; Q163-A166 PolarHBondContact O-N 3.24Å; A164-A166 PolarHBondContact O-N 3.11Å; A166-A170 VanDerWaalsContact O-CB 3.25Å; A166-A170 WeakPolarHBondContact O-CB 3.42Å; A166-A170 PolarHBondContact O-N 3.06Å; A166-I276 HydrophobicContact CB-CG2 3.85Å; A166-F281 HydrophobicContact CB-CD2 3.85Å; A166-F281 HydrophobicContact CB-CE2 4.25Å
167C98.9Very high98.8Very high0 Ų011.9 Ų11.90%07%0.068CC..Hα-helixtrans-66.2-47.6174.2-68.50000112.4Q163 A164 R165 E169 A170 G171 V172 I175Q163-C167 WeakPolarHBondContact O-CB 3.28Å; Q163-C167 PolarHBondContact O-N 3.24Å; Q163-C167 PolarHBondContact O-SG 3.22Å; A164-C167 PolarHBondContact O-N 2.77Å; R165-C167 VanDerWaalsContact C-N 3.28Å; R165-C167 PolarHBondContact O-N 3.03Å; C167-E169 VanDerWaalsContact C-N 3.33Å; C167-E169 PolarHBondContact O-N 3Å; C167-A170 WeakPolarHBondContact O-CB 3.37Å; C167-A170 PolarHBondContact O-N 3.38Å; C167-A170 VanDerWaalsContact O-N 3.17Å; C167-G171 PolarHBondContact O-N 3.36Å; C167-V172 HydrophobicContact CB-CG2 3.83Å; C167-V172 WeakPolarHBondContact O-CG2 3.42Å; C167-V172 PolarHBondContact O-N 2.75Å; C167-I175 HydrophobicContact CB-CG2 3.37Å
168A98.8Very high98.8Very high5 Ų512.3 Ų12.34%0.0417%0.07CC..Hα-helixtrans-60.2-43.3177.100000111.8A164 R165 A170 G171 Y213 Y218A164-A168 PolarHBondContact O-N 2.9Å; R165-A168 PolarHBondContact O-N 3.03Å; A168-A170 VanDerWaalsContact C-N 3.33Å; A168-A170 PolarHBondContact O-N 3.19Å; A168-G171 PolarHBondContact O-N 3.22Å; A168-G171 VanDerWaalsContact O-N 3.08Å; A168-Y213 HydrophobicContact CB-CD1 4.09Å; A168-Y213 HydrophobicContact CB-CE1 3.42Å; A168-Y213 VanDerWaalsContact CB-CE1 3.42Å; A168-Y213 HydrophobicContact CB-CE2 4.12Å; A168-Y213 VanDerWaalsContact CB-CZ 3.44Å; A168-Y213 PolarHBondContact N-OH 2.95Å; A168-Y218 HydrophobicContact CB-CD1 3.67Å; A168-Y218 HydrophobicContact CB-CD2 3.92Å; A168-Y218 HydrophobicContact CB-CE1 3.98Å; A168-Y218 HydrophobicContact CB-CE2 4.2Å; A168-Y218 HydrophobicContact CB-CG 3.64Å
169E98.7Very high98.8Very high12 Ų1212.3 Ų12.36%0.0567%0.07CC..Hα-helixtrans-68.2-32.1176.6-68.9172.6-179.500112.2R165 C167 G171 Y218 R275 I276R165-E169 HydrophobicContact CG-CG 4.38Å; R165-E169 VanDerWaalsContact CG-OE1 3.26Å; R165-E169 WeakPolarHBondContact CG-OE1 3.36Å; R165-E169 IonicContact CZ-OE1 3.89Å; R165-E169 IonicContact NE-OE1 2.78Å; R165-E169 PolarHBondContact NE-OE1 2.89Å; R165-E169 IonicContact NH2-OE1 3.53Å; R165-E169 WeakPolarHBondContact O-CG 3.29Å; R165-E169 PolarHBondContact O-N 3.04Å; C167-E169 VanDerWaalsContact C-N 3.33Å; C167-E169 PolarHBondContact O-N 3Å; E169-G171 PolarHBondContact O-N 3.37Å; E169-Y218 HydrophobicContact CG-CE1 4.35Å; E169-Y218 WeakPolarHBondContact CG-OH 3.3Å; E169-R275 VanDerWaalsContact C-NH2 3.35Å; E169-R275 HydrophobicContact CB-CG 4.45Å; E169-R275 HydrophobicContact CG-CG 4.49Å; E169-R275 PolarHBondContact O-NH1 3.2Å; E169-R275 PolarHBondContact O-NH2 3.05Å; E169-R275 VanDerWaalsContact OE2-CA 3.3Å; E169-R275 WeakPolarHBondContact OE2-CA 3.46Å; E169-I276 PolarHBondContact OE1-N 3.46Å; E169-I276 WeakPolarHBondContact OE2-CG2 3.38Å; E169-I276 PolarHBondContact OE2-N 3.41Å
170A98.8Very high98.8Very high8 Ų812.2 Ų12.27%0.0667%0.069CC..Hα-helixtrans-67.4-13.8171.100000113.3I140 E144 A166 C167 A168 V172I140-A170 HydrophobicContact CG2-CB 3.69Å; E144-A170 HydrophobicContact CB-CB 3.91Å; E144-A170 HydrophobicContact CG-CB 4.38Å; A166-A170 VanDerWaalsContact O-CB 3.25Å; A166-A170 WeakPolarHBondContact O-CB 3.42Å; A166-A170 PolarHBondContact O-N 3.06Å; C167-A170 WeakPolarHBondContact O-CB 3.37Å; C167-A170 PolarHBondContact O-N 3.38Å; C167-A170 VanDerWaalsContact O-N 3.17Å; A168-A170 VanDerWaalsContact C-N 3.33Å; A168-A170 PolarHBondContact O-N 3.19Å; A170-V172 VanDerWaalsContact C-N 3.33Å; A170-V172 HydrophobicContact CB-CG1 3.95Å
171G98.7Very high98.8Very high44 Ų4413.8 Ų13.845%0.4547%0.074SC..THydrogen-bonded Turntrans71.528.5179.300000113.1C167 A168 E169C167-G171 PolarHBondContact O-N 3.36Å; A168-G171 PolarHBondContact O-N 3.22Å; A168-G171 VanDerWaalsContact O-N 3.08Å; E169-G171 PolarHBondContact O-N 3.37Å
172V98.9Very high98.8Very high2 Ų210.2 Ų10.21%0.0126%0.058CC..  trans-66.5146.7178-52.80000110.3A143 E147 L155 C167 A170 L174 I175 T220A143-V172 HydrophobicContact CB-CG1 3.72Å; E147-V172 WeakPolarHBondContact OE1-CA 3.35Å; L155-V172 HydrophobicContact CD2-CB 3.7Å; L155-V172 HydrophobicContact CD2-CG1 3.57Å; L155-V172 HydrophobicContact CD2-CG2 3.91Å; L155-V172 HydrophobicContact CG-CB 4.46Å; L155-V172 HydrophobicContact CG-CG1 4.13Å; L155-V172 HydrophobicContact CG-CG2 4.26Å; C167-V172 HydrophobicContact CB-CG2 3.83Å; C167-V172 WeakPolarHBondContact O-CG2 3.42Å; C167-V172 PolarHBondContact O-N 2.75Å; A170-V172 VanDerWaalsContact C-N 3.33Å; A170-V172 HydrophobicContact CB-CG1 3.95Å; V172-L174 VanDerWaalsContact C-N 3.32Å; V172-L174 PolarHBondContact O-N 2.7Å; V172-I175 HydrophobicContact CG2-CG2 3.92Å; V172-T220 HydrophobicContact CG2-CG2 3.76Å; V172-T220 VanDerWaalsContact O-CB 3.31Å; V172-T220 WeakPolarHBondContact O-CB 3.32Å; V172-T220 VanDerWaalsContact O-CG2 3.23Å; V172-T220 WeakPolarHBondContact O-CG2 3.16Å; V172-T220 PolarHBondContact O-OG1 3.43Å
173F98.9Very high98.8Very high47 Ų4710.5 Ų10.521%0.2066%0.06CC..SBendtrans-60.8-43.6-178.2-179.3-90.3000111.3L130 E147 N152 V221L130-F173 HydrophobicContact CD1-CD1 4.31Å; L130-F173 HydrophobicContact CD1-CE1 4.49Å; L130-F173 HydrophobicContact CD2-CB 4.21Å; L130-F173 HydrophobicContact CD2-CD1 3.39Å; L130-F173 HydrophobicContact CD2-CE1 4.1Å; L130-F173 HydrophobicContact CD2-CG 3.94Å; L130-F173 HydrophobicContact CG-CD1 4.48Å; E147-F173 WeakPolarHBondContact OE1-CB 3.47Å; E147-F173 PolarHBondContact OE1-N 2.73Å; N152-F173 HydrophobicContact CB-CB 4.02Å; N152-F173 HydrophobicContact CB-CG 4.23Å; F173-V221 HydrophobicContact CE1-CG2 4.28Å; F173-V221 HydrophobicContact CZ-CG2 4.34Å; F173-V221 WeakPolarHBondContact O-CB 3.42Å; F173-V221 PolarHBondContact O-N 2.95Å
174L98.8Very high98.8Very high0 Ų013.1 Ų13.10%07%0.074CC..EExtended strand (participates in β ladder)trans-149148.7-172.8-178.9155.1000112.3L130 C153 N154 L155 V172 V221 M223L130-L174 HydrophobicContact CD1-CD1 4.26Å; C153-L174 PolarHBondContact O-N 3.1Å; C153-L174 VanDerWaalsContact O-N 3.12Å; N154-L174 CarbonylContact C-O 3.6Å; N154-L174 WeakPolarHBondContact CA-O 3.33Å; N154-L174 HydrophobicContact CB-CD2 3.91Å; N154-L174 WeakPolarHBondContact OD1-CD2 3.41Å; L155-L174 PolarHBondContact N-O 3.37Å; V172-L174 VanDerWaalsContact C-N 3.32Å; V172-L174 PolarHBondContact O-N 2.7Å; L174-V221 CarbonylContact C-O 3.59Å; L174-V221 WeakPolarHBondContact CA-O 3.31Å; L174-V221 HydrophobicContact CB-CB 4.02Å; L174-V221 HydrophobicContact CD1-CB 4.13Å; L174-V221 HydrophobicContact CD1-CG1 3.74Å; L174-V221 HydrophobicContact CG-CB 4.02Å; L174-V221 HydrophobicContact CG-CG1 4Å; L174-M223 HydrophobicContact CD1-CB 4.03Å; L174-M223 HydrophobicContact CD1-CE 4.09Å; L174-M223 HydrophobicContact CD1-SD 4Å; L174-M223 HydrophobicContact CD2-CB 3.89Å; L174-M223 HydrophobicContact CD2-CE 3.61Å; L174-M223 HydrophobicContact CD2-SD 4.46Å; L174-M223 HydrophobicContact CG-CB 4.05Å; L174-M223 HydrophobicContact CG-CE 4.48Å
175I98.9Very high98.8Very high0 Ų014.8 Ų14.80%08%0.08CC..EExtended strand (participates in β ladder)trans-118.9149.5167.758.6157.7000111.4L155 L158 A164 C167 V172 P177 I209 Y213 T220 V221 V222 M223L155-I175 HydrophobicContact CB-CG2 4.13Å; L155-I175 CarbonylContact O-C 3.35Å; L155-I175 WeakPolarHBondContact O-CA 3.4Å; L158-I175 HydrophobicContact CD1-CB 3.73Å; L158-I175 HydrophobicContact CD1-CD1 3.64Å; L158-I175 HydrophobicContact CD1-CG1 4.26Å; L158-I175 HydrophobicContact CD1-CG2 4.06Å; A164-I175 HydrophobicContact CB-CD1 4.37Å; C167-I175 HydrophobicContact CB-CG2 3.37Å; V172-I175 HydrophobicContact CG2-CG2 3.92Å; I175-P177 WeakPolarHBondContact O-CD 3.24Å; I175-I209 HydrophobicContact CD1-CG2 3.6Å; I175-Y213 HydrophobicContact CD1-CE2 3.71Å; I175-Y213 WeakPolarHBondContact CD1-OH 3.27Å; I175-Y213 HydrophobicContact CG1-CE2 4Å; I175-T220 HydrophobicContact CG1-CG2 4.31Å; I175-T220 HydrophobicContact CG2-CG2 3.85Å; I175-V221 PolarHBondContact N-O 2.81Å; I175-V222 HydrophobicContact CD1-CG1 4.33Å; I175-V222 HydrophobicContact CD1-CG2 4.28Å; I175-V222 HydrophobicContact CG1-CG2 4.43Å; I175-M223 WeakPolarHBondContact O-CA 3.27Å; I175-M223 WeakPolarHBondContact O-CB 3.14Å; I175-M223 PolarHBondContact O-N 3.4Å
176S98.9Very high98.7Very high2 Ų216.4 Ų16.41%0.0149%0.087CC..EExtended strand (participates in β ladder)trans-122.179.5177.7-62.40000111.7N154 L155 F178 M223N154-S176 PolarHBondContact ND2-OG 3.33Å; N154-S176 WeakPolarHBondContact OD1-CB 3.42Å; N154-S176 PolarHBondContact OD1-OG 2.72Å; L155-S176 PolarHBondContact O-N 3.49Å; S176-F178 WeakPolarHBondContact O-CD1 3.4Å; S176-M223 VanDerWaalsContact CA-O 3.3Å; S176-M223 WeakPolarHBondContact CA-O 3.36Å; S176-M223 VanDerWaalsContact OG-CE 3.25Å; S176-M223 WeakPolarHBondContact OG-CE 3.23Å
177P98.9Very high98.7Very high1 Ų119.6 Ų19.61%0.00610%0.101CC..EExtended strand (participates in β ladder)trans-66.4135171.228.2-36.7000112.6L158 I175 V179 V206 I209 V222 M223 A225L158-P177 HydrophobicContact CD2-CB 4.03Å; L158-P177 WeakPolarHBondContact O-CA 3.45Å; I175-P177 WeakPolarHBondContact O-CD 3.24Å; P177-V179 PolarHBondContact O-N 2.97Å; P177-V206 HydrophobicContact CB-CG2 3.67Å; P177-V206 HydrophobicContact CG-CB 4.42Å; P177-V206 HydrophobicContact CG-CG1 4.2Å; P177-V206 HydrophobicContact CG-CG2 3.51Å; P177-I209 HydrophobicContact CB-CD1 4.3Å; P177-V222 HydrophobicContact CG-CG1 4.24Å; P177-M223 WeakPolarHBondContact CD-O 3.28Å; P177-A225 PolarHBondContact O-N 3.03Å
178F98.8Very high98.7Very high9 Ų923 Ų234%0.03913%0.128CC..BIsolated β-bridgetrans-9889.8-170.4-84.928.3000112.1T156 L157 L158 F159 S176 R181 I182 A225 F302T156-F178 WeakPolarHBondContact OG1-CE1 3.44Å; T156-F178 WeakPolarHBondContact OG1-CZ 3.39Å; L157-F178 HydrophobicContact CD2-CD2 4.12Å; L157-F178 HydrophobicContact CD2-CE2 3.62Å; L157-F178 HydrophobicContact CD2-CZ 4.11Å; L158-F178 PolarHBondContact O-N 3Å; L158-F178 VanDerWaalsContact O-N 3.12Å; F159-F178 HydrophobicContact CD1-CB 4.18Å; F159-F178 HydrophobicContact CE1-CB 3.46Å; F159-F178 VanDerWaalsContact CE1-CB 3.46Å; F159-F178 HydrophobicContact CE1-CD2 4.22Å; F159-F178 HydrophobicContact CE1-CG 4.18Å; F159-F178 HydrophobicContact CZ-CB 4.01Å; F159-F178 AromaticContact CZ-CD2 3.98Å; F159-F178 HydrophobicContact CZ-CD2 3.98Å; F159-F178 HydrophobicContact CZ-CG 4.24Å; S176-F178 WeakPolarHBondContact O-CD1 3.4Å; F178-R181 HydrophobicContact CB-CB 4.25Å; F178-R181 HydrophobicContact CD2-CG 4.23Å; F178-R181 PolarHBondContact O-N 2.95Å; F178-I182 WeakPolarHBondContact O-CG1 3.49Å; F178-I182 PolarHBondContact O-N 3.5Å; F178-A225 HydrophobicContact CD1-CB 3.88Å; F178-A225 HydrophobicContact CE1-CB 4Å; F178-F302 HydrophobicContact CE2-CZ 4.41Å
179V98.9Very high98.6Very high0 Ų027.2 Ų27.20%015%0.15CC..Hα-helixtrans-56.6-62.8-174.9176.40000112P177 R181 I182 L183 V203 V206 A225 F227 E232 L236P177-V179 PolarHBondContact O-N 2.97Å; V179-R181 VanDerWaalsContact C-N 3.28Å; V179-R181 PolarHBondContact O-N 2.86Å; V179-I182 WeakPolarHBondContact O-CB 3.38Å; V179-I182 PolarHBondContact O-N 3.02Å; V179-L183 PolarHBondContact O-N 2.82Å; V179-V203 HydrophobicContact CG1-CG2 4.01Å; V179-V206 HydrophobicContact CG2-CB 4.45Å; V179-V206 HydrophobicContact CG2-CG2 3.5Å; V179-A225 PolarHBondContact N-O 3.43Å; V179-F227 HydrophobicContact CB-CD1 4.12Å; V179-F227 HydrophobicContact CB-CE1 4.02Å; V179-F227 HydrophobicContact CG1-CD1 4.24Å; V179-F227 HydrophobicContact CG1-CE1 4.3Å; V179-F227 HydrophobicContact CG2-CD1 4.38Å; V179-F227 HydrophobicContact CG2-CE1 3.78Å; V179-F227 HydrophobicContact CG2-CZ 4.45Å; V179-E232 HydrophobicContact CG1-CB 4.02Å; V179-E232 HydrophobicContact CG1-CG 3.94Å; V179-L236 HydrophobicContact CG2-CD1 3.78Å
180G98.5Very high98.5Very high0 Ų028.7 Ų28.70%016%0.16CC..Hα-helixtrans-68.2-23.2-17300000114.5L183 D184 S226G180-L183 PolarHBondContact O-N 3.36Å; G180-D184 PolarHBondContact O-N 3.49Å; G180-S226 WeakPolarHBondContact CA-O 3.45Å; G180-S226 PolarHBondContact N-O 3.5Å
181R98.6Very high98.5Very high39 Ų3936.1 Ų36.115%0.14720%0.199CC..Hα-helixtrans-75.2-29.1173.7-75.7-162.7-157.9-178.2-1.4112.3F159 F178 V179 W185 K294F159-R181 HydrophobicContact CE1-CB 3.78Å; F178-R181 HydrophobicContact CB-CB 4.25Å; F178-R181 HydrophobicContact CD2-CG 4.23Å; F178-R181 PolarHBondContact O-N 2.95Å; V179-R181 VanDerWaalsContact C-N 3.28Å; V179-R181 PolarHBondContact O-N 2.86Å; R181-W185 PolarHBondContact O-N 3.05Å; R181-K294 HydrophobicContact CB-CD 4.47Å; R181-K294 WeakPolarHBondContact O-CE 3.18Å
182I98.8Very high98.4Very high2 Ų238.3 Ų38.31%0.0120%0.196CC..Hα-helixtrans-63.5-51.2169.3-63.9166.7000108.3F159 F178 V179 D184 W185 Y186 P201 M290F159-I182 HydrophobicContact CD1-CG1 4.02Å; F178-I182 WeakPolarHBondContact O-CG1 3.49Å; F178-I182 PolarHBondContact O-N 3.5Å; V179-I182 WeakPolarHBondContact O-CB 3.38Å; V179-I182 PolarHBondContact O-N 3.02Å; I182-D184 VanDerWaalsContact C-N 3.32Å; I182-D184 PolarHBondContact O-N 2.99Å; I182-W185 WeakPolarHBondContact O-CB 3.44Å; I182-W185 PolarHBondContact O-N 3.38Å; I182-Y186 HydrophobicContact CG2-CD2 3.86Å; I182-Y186 HydrophobicContact CG2-CE2 3.82Å; I182-Y186 WeakPolarHBondContact O-CD2 3.3Å; I182-Y186 PolarHBondContact O-N 2.97Å; I182-Y186 VanDerWaalsContact O-N 3.15Å; I182-P201 HydrophobicContact CG2-CB 3.85Å; I182-P201 HydrophobicContact CG2-CG 4.05Å; I182-M290 HydrophobicContact CB-CE 4.43Å; I182-M290 HydrophobicContact CB-SD 4.14Å; I182-M290 HydrophobicContact CD1-CE 4.45Å; I182-M290 HydrophobicContact CG1-CE 3.92Å; I182-M290 HydrophobicContact CG1-SD 3.71Å; I182-M290 HydrophobicContact CG2-CE 3.86Å; I182-M290 HydrophobicContact CG2-SD 4.04Å
183L98.5Very high98.2Very high9 Ų942.9 Ų42.95%0.04722%0.216CC..Hα-helixtrans-52.6-48.1175.1179.967.1000112.2V179 G180 W185 Y186 K187 Y195 D200 E232V179-L183 PolarHBondContact O-N 2.82Å; G180-L183 PolarHBondContact O-N 3.36Å; L183-W185 VanDerWaalsContact C-N 3.27Å; L183-W185 PolarHBondContact O-N 3.1Å; L183-Y186 PolarHBondContact O-N 2.94Å; L183-K187 HydrophobicContact CD1-CD 4.3Å; L183-K187 HydrophobicContact CD1-CG 4.11Å; L183-K187 HydrophobicContact CG-CD 4.2Å; L183-K187 HydrophobicContact CG-CG 4.3Å; L183-K187 WeakPolarHBondContact O-CG 3.46Å; L183-K187 PolarHBondContact O-N 2.84Å; L183-Y195 HydrophobicContact CD1-CD2 3.5Å; L183-Y195 VanDerWaalsContact CD1-CD2 3.5Å; L183-Y195 HydrophobicContact CD1-CE2 4.04Å; L183-Y195 HydrophobicContact CD1-CG 3.93Å; L183-D200 WeakPolarHBondContact CD1-OD2 3.44Å; L183-D200 WeakPolarHBondContact CD2-OD2 3.23Å; L183-E232 WeakPolarHBondContact CD2-OE1 3.49Å
184D98.5Very high98.1Very high56 Ų5647.4 Ų47.430%0.29924%0.237SC..Hα-helixtrans-55.4-41.6178.7-65.6-24.5000111.9G180 I182 A188 R228G180-D184 PolarHBondContact O-N 3.49Å; I182-D184 VanDerWaalsContact C-N 3.32Å; I182-D184 PolarHBondContact O-N 2.99Å; D184-A188 WeakPolarHBondContact O-CB 3.44Å; D184-A188 PolarHBondContact O-N 3.34Å; D184-R228 IonicContact OD1-CZ 3.58Å; D184-R228 IonicContact OD1-NE 3.56Å; D184-R228 PolarHBondContact OD1-NE 3.44Å; D184-R228 IonicContact OD1-NH2 3.97Å; D184-R228 IonicContact OD2-CZ 3.35Å; D184-R228 IonicContact OD2-NE 3.19Å; D184-R228 PolarHBondContact OD2-NE 3.44Å; D184-R228 IonicContact OD2-NH2 3.24Å; D184-R228 PolarHBondContact OD2-NH2 2.58Å
185W98.6Very high98.1Very high34 Ų3449.2 Ų49.213%0.12924%0.244CC..Hα-helixtrans-65.5-47.8179.3-167.394.9000111.3R181 I182 L183 K187 A188 N189 P289 M290 D293 K294R181-W185 PolarHBondContact O-N 3.05Å; I182-W185 WeakPolarHBondContact O-CB 3.44Å; I182-W185 PolarHBondContact O-N 3.38Å; L183-W185 VanDerWaalsContact C-N 3.27Å; L183-W185 PolarHBondContact O-N 3.1Å; W185-K187 PolarHBondContact O-N 3.29Å; W185-A188 PolarHBondContact O-N 3.08Å; W185-A188 VanDerWaalsContact O-N 3.14Å; W185-N189 HydrophobicContact CD2-CB 4.15Å; W185-N189 VanDerWaalsContact CE2-ND2 3.35Å; W185-N189 HydrophobicContact CE3-CB 4.09Å; W185-N189 HydrophobicContact CH2-CB 3.97Å; W185-N189 HydrophobicContact CZ2-CB 4.01Å; W185-N189 HydrophobicContact CZ3-CB 4.01Å; W185-N189 PolarHBondContact NE1-ND2 3.41Å; W185-N189 WeakPolarHBondContact O-CB 3.5Å; W185-N189 PolarHBondContact O-N 2.91Å; W185-N189 PolarHBondContact O-ND2 3.22Å; W185-P289 HydrophobicContact CH2-CB 4.33Å; W185-P289 HydrophobicContact CZ2-CB 4.01Å; W185-M290 HydrophobicContact CB-CB 4.44Å; W185-M290 HydrophobicContact CB-CG 3.52Å; W185-M290 HydrophobicContact CD2-CB 3.47Å; W185-M290 VanDerWaalsContact CD2-CB 3.47Å; W185-M290 HydrophobicContact CD2-CG 3.56Å; W185-M290 VanDerWaalsContact CE2-CA 3.49Å; W185-M290 HydrophobicContact CE3-CB 3.52Å; W185-M290 HydrophobicContact CE3-CG 3.71Å; W185-M290 HydrophobicContact CG-CB 3.9Å; W185-M290 HydrophobicContact CG-CG 3.48Å; W185-M290 VanDerWaalsContact CG-CG 3.48Å; W185-M290 HydrophobicContact CH2-CB 4.26Å; W185-M290 HydrophobicContact CZ2-CB 4.22Å; W185-M290 HydrophobicContact CZ3-CB 3.93Å; W185-D293 PolarHBondContact NE1-OD2 2.98Å; W185-K294 HydrophobicContact CB-CD 4.27Å; W185-K294 HydrophobicContact CB-CG 4.01Å; W185-K294 HydrophobicContact CG-CG 4.27Å
186Y98.5Very high98Very high74 Ų7451.6 Ų51.629%0.2926%0.264SS..Hα-helixtrans-64.6-42.3-178.6-85.1-86.5000111.6I182 L183 A188 N189 T190 P201 M290I182-Y186 HydrophobicContact CG2-CD2 3.86Å; I182-Y186 HydrophobicContact CG2-CE2 3.82Å; I182-Y186 WeakPolarHBondContact O-CD2 3.3Å; I182-Y186 PolarHBondContact O-N 2.97Å; I182-Y186 VanDerWaalsContact O-N 3.15Å; L183-Y186 PolarHBondContact O-N 2.94Å; Y186-A188 VanDerWaalsContact C-N 3.28Å; Y186-A188 PolarHBondContact O-N 3Å; Y186-N189 PolarHBondContact O-N 3.4Å; Y186-T190 HydrophobicContact CD1-CG2 3.89Å; Y186-T190 WeakPolarHBondContact O-CB 3.38Å; Y186-T190 PolarHBondContact O-N 2.94Å; Y186-T190 PolarHBondContact O-OG1 3.11Å; Y186-P201 HydrophobicContact CD2-CB 3.7Å; Y186-P201 HydrophobicContact CD2-CG 3.51Å; Y186-P201 HydrophobicContact CE2-CB 3.73Å; Y186-P201 HydrophobicContact CE2-CG 4.1Å; Y186-P201 HydrophobicContact CG-CB 4.25Å; Y186-P201 HydrophobicContact CG-CG 3.82Å; Y186-M290 HydrophobicContact CD2-CG 4.35Å; Y186-M290 HydrophobicContact CE2-CB 4.39Å; Y186-M290 HydrophobicContact CE2-CE 4.45Å; Y186-M290 HydrophobicContact CE2-CG 4.06Å
187K98.1Very high97.9Very high68 Ų6854.2 Ų54.230%0.29628%0.281SS..Hα-helixtrans-61.7-35173.3-71.3-167179.4-149.10112.2L183 W185 K193 E194 Y195L183-K187 HydrophobicContact CD1-CD 4.3Å; L183-K187 HydrophobicContact CD1-CG 4.11Å; L183-K187 HydrophobicContact CG-CD 4.2Å; L183-K187 HydrophobicContact CG-CG 4.3Å; L183-K187 WeakPolarHBondContact O-CG 3.46Å; L183-K187 PolarHBondContact O-N 2.84Å; W185-K187 PolarHBondContact O-N 3.29Å; K187-K193 WeakPolarHBondContact CD-O 3.34Å; K187-K193 WeakPolarHBondContact CE-O 3.49Å; K187-K193 WeakPolarHBondContact CG-O 2.83Å; K187-K193 PolarHBondContact NZ-O 3.05Å; K187-K193 WeakPolarHBondContact O-CD 3.3Å; K187-K193 WeakPolarHBondContact O-CE 3.49Å; K187-K193 PolarHBondContact O-NZ 3.18Å; K187-E194 IonicContact NZ-OE1 4Å; K187-E194 IonicContact NZ-OE2 3.53Å; K187-Y195 HydrophobicContact CG-CD2 4.31Å; K187-Y195 HydrophobicContact CG-CE2 3.94Å
188A97.9Very high97.8Very high70 Ų7057 Ų5758%0.57930%0.304SS*.Hα-helixtrans-75.8-37.8178.600000112.9D184 W185 Y186D184-A188 WeakPolarHBondContact O-CB 3.44Å; D184-A188 PolarHBondContact O-N 3.34Å; W185-A188 PolarHBondContact O-N 3.08Å; W185-A188 VanDerWaalsContact O-N 3.14Å; Y186-A188 VanDerWaalsContact C-N 3.28Å; Y186-A188 PolarHBondContact O-N 3Å
189N98Very high97.8Very high95 Ų9561.7 Ų61.751%0.50833%0.326SS..Hα-helixtrans-109.9-1.8-165.3-64.6-74.5000115.3W185 Y186W185-N189 HydrophobicContact CD2-CB 4.15Å; W185-N189 VanDerWaalsContact CE2-ND2 3.35Å; W185-N189 HydrophobicContact CE3-CB 4.09Å; W185-N189 HydrophobicContact CH2-CB 3.97Å; W185-N189 HydrophobicContact CZ2-CB 4.01Å; W185-N189 HydrophobicContact CZ3-CB 4.01Å; W185-N189 PolarHBondContact NE1-ND2 3.41Å; W185-N189 WeakPolarHBondContact O-CB 3.5Å; W185-N189 PolarHBondContact O-N 2.91Å; W185-N189 PolarHBondContact O-ND2 3.22Å; Y186-N189 PolarHBondContact O-N 3.4Å
190T97.2Very high97.7Very high42 Ų4261.9 Ų61.926%0.25833%0.327SS..SBendtrans-128.6164.9178.274.80000111.7Y186 K192 K193 Y195Y186-T190 HydrophobicContact CD1-CG2 3.89Å; Y186-T190 WeakPolarHBondContact O-CB 3.38Å; Y186-T190 PolarHBondContact O-N 2.94Å; Y186-T190 PolarHBondContact O-OG1 3.11Å; T190-K192 VanDerWaalsContact C-N 3.31Å; T190-K192 PolarHBondContact O-N 3.34Å; T190-K192 PolarHBondContact OG1-O 2.9Å; T190-K193 VanDerWaalsContact O-CE 3.27Å; T190-K193 WeakPolarHBondContact O-CE 3.36Å; T190-K193 PolarHBondContact O-NZ 3.48Å; T190-Y195 PolarHBondContact OG1-OH 2.77Å
191D97.2Very high97.7Very high165 Ų16562.9 Ų62.988%0.88233%0.334SS*.SBendtrans-71-25.1178.7-66-31.9000113.2K193D191-K193 PolarHBondContact O-N 3.49Å
192K96.8Very high97.7Very high90 Ų9061 Ų6139%0.39133%0.327SS..  trans-77.6111178-174.6173.9178.7179.40109.7T190 E194 Y195 E199T190-K192 VanDerWaalsContact C-N 3.31Å; T190-K192 PolarHBondContact O-N 3.34Å; T190-K192 PolarHBondContact OG1-O 2.9Å; K192-E194 WeakPolarHBondContact CE-O 3.32Å; K192-E194 WeakPolarHBondContact CG-O 3.34Å; K192-Y195 HydrophobicContact CB-CE1 4.5Å; K192-Y195 HydrophobicContact CB-CE2 4.45Å; K192-Y195 WeakPolarHBondContact CB-OH 3.36Å; K192-Y195 HydrophobicContact CD-CD1 3.96Å; K192-Y195 HydrophobicContact CD-CE1 3.55Å; K192-Y195 HydrophobicContact CG-CD1 4.41Å; K192-Y195 HydrophobicContact CG-CD2 4.49Å; K192-Y195 HydrophobicContact CG-CE1 3.9Å; K192-Y195 HydrophobicContact CG-CE2 3.98Å; K192-Y195 WeakPolarHBondContact O-CE2 3.34Å; K192-Y195 PolarHBondContact O-OH 3.27Å; K192-E199 IonicContact NZ-OE2 2.73Å; K192-E199 PolarHBondContact NZ-OE2 2.59Å
193K95.7Very high97.7Very high98 Ų9861.1 Ų61.143%0.42633%0.327SS..  trans-102.1-20.1-178.4-53.3-52.2-174.2-175.20114K187 T190 D191K187-K193 WeakPolarHBondContact CD-O 3.34Å; K187-K193 WeakPolarHBondContact CE-O 3.49Å; K187-K193 WeakPolarHBondContact CG-O 2.83Å; K187-K193 PolarHBondContact NZ-O 3.05Å; K187-K193 WeakPolarHBondContact O-CD 3.3Å; K187-K193 WeakPolarHBondContact O-CE 3.49Å; K187-K193 PolarHBondContact O-NZ 3.18Å; T190-K193 VanDerWaalsContact O-CE 3.27Å; T190-K193 WeakPolarHBondContact O-CE 3.36Å; T190-K193 PolarHBondContact O-NZ 3.48Å; D191-K193 PolarHBondContact O-N 3.49Å
194E96.1Very high97.8Very high141 Ų14163.4 Ų63.466%0.65934%0.342SS*.  trans-118.9138.8178.2-63.4-54.2148.300110.2K187 K192K187-E194 IonicContact NZ-OE1 4Å; K187-E194 IonicContact NZ-OE2 3.53Å; K192-E194 WeakPolarHBondContact CE-O 3.32Å; K192-E194 WeakPolarHBondContact CG-O 3.34Å
195Y97.8Very high97.8Very high38 Ų3861.6 Ų61.615%0.14933%0.333CS..  trans-132.9130.7-177.6-65-100.3000107.1L183 K187 T190 K192 E199 P201L183-Y195 HydrophobicContact CD1-CD2 3.5Å; L183-Y195 VanDerWaalsContact CD1-CD2 3.5Å; L183-Y195 HydrophobicContact CD1-CE2 4.04Å; L183-Y195 HydrophobicContact CD1-CG 3.93Å; K187-Y195 HydrophobicContact CG-CD2 4.31Å; K187-Y195 HydrophobicContact CG-CE2 3.94Å; T190-Y195 PolarHBondContact OG1-OH 2.77Å; K192-Y195 HydrophobicContact CB-CE1 4.5Å; K192-Y195 HydrophobicContact CB-CE2 4.45Å; K192-Y195 WeakPolarHBondContact CB-OH 3.36Å; K192-Y195 HydrophobicContact CD-CD1 3.96Å; K192-Y195 HydrophobicContact CD-CE1 3.55Å; K192-Y195 HydrophobicContact CG-CD1 4.41Å; K192-Y195 HydrophobicContact CG-CD2 4.49Å; K192-Y195 HydrophobicContact CG-CE1 3.9Å; K192-Y195 HydrophobicContact CG-CE2 3.98Å; K192-Y195 WeakPolarHBondContact O-CE2 3.34Å; K192-Y195 PolarHBondContact O-OH 3.27Å; Y195-E199 WeakPolarHBondContact CD1-O 3.43Å; Y195-P201 HydrophobicContact CE1-CG 4.41Å
196A97.6Very high97.8Very high50 Ų5060 Ų6041%0.41333%0.327SS..  trans-62.6149.3163.500000108.4A198 E199 D200A196-A198 PolarHBondContact O-N 2.96Å; A196-A198 VanDerWaalsContact O-N 3.11Å; A196-E199 HydrophobicContact CB-CB 4.4Å; A196-E199 HydrophobicContact CB-CG 4.13Å; A196-E199 CarbonylContact O-C 3.48Å; A196-E199 WeakPolarHBondContact O-CA 3.3Å; A196-E199 PolarHBondContact O-N 2.91Å; A196-D200 PolarHBondContact O-N 3.48Å; A196-D200 VanDerWaalsContact O-N 3.14Å
197P96.9Very high97.8Very high57 Ų5757.6 Ų57.637%0.3732%0.321SS..G310 helixtrans-50.9-40.1-177.9-31.637.1000114.4E199 D200 E235P197-E199 VanDerWaalsContact C-N 3.29Å; P197-E199 PolarHBondContact O-N 3.37Å; P197-D200 WeakPolarHBondContact O-CB 3.44Å; P197-D200 PolarHBondContact O-N 3.36Å; P197-E235 HydrophobicContact CB-CG 3.6Å
198A96.9Very high97.8Very high59 Ų5960 Ų6049%0.48833%0.334SS..G310 helixtrans-75.1-15.8178.800000114.1A196 E235A196-A198 PolarHBondContact O-N 2.96Å; A196-A198 VanDerWaalsContact O-N 3.11Å; A198-E235 HydrophobicContact CB-CG 4.46Å
199E97.9Very high97.9Very high108 Ų10856.7 Ų56.751%0.50531%0.306SS..G310 helixtrans-99.3-0.4176.4-60-176.416000112.4K192 Y195 A196 P197K192-E199 IonicContact NZ-OE2 2.73Å; K192-E199 PolarHBondContact NZ-OE2 2.59Å; Y195-E199 WeakPolarHBondContact CD1-O 3.43Å; A196-E199 HydrophobicContact CB-CB 4.4Å; A196-E199 HydrophobicContact CB-CG 4.13Å; A196-E199 CarbonylContact O-C 3.48Å; A196-E199 WeakPolarHBondContact O-CA 3.3Å; A196-E199 PolarHBondContact O-N 2.91Å; P197-E199 VanDerWaalsContact C-N 3.29Å; P197-E199 PolarHBondContact O-N 3.37Å
200D98.5Very high97.9Very high4 Ų452.7 Ų52.72%0.02128%0.284CS..  trans-61.9123.4178.8-178.1-61.8000109.6L183 A196 P197 G202 V203 V204L183-D200 WeakPolarHBondContact CD1-OD2 3.44Å; L183-D200 WeakPolarHBondContact CD2-OD2 3.23Å; A196-D200 PolarHBondContact O-N 3.48Å; A196-D200 VanDerWaalsContact O-N 3.14Å; P197-D200 WeakPolarHBondContact O-CB 3.44Å; P197-D200 PolarHBondContact O-N 3.36Å; D200-G202 PolarHBondContact O-N 3.32Å; D200-G202 VanDerWaalsContact OD1-CA 3.29Å; D200-G202 WeakPolarHBondContact OD1-CA 3.47Å; D200-G202 PolarHBondContact OD1-N 2.96Å; D200-V203 HydrophobicContact CB-CB 3.93Å; D200-V203 HydrophobicContact CB-CG2 3.73Å; D200-V203 WeakPolarHBondContact O-CB 3.16Å; D200-V203 PolarHBondContact O-N 3.03Å; D200-V203 PolarHBondContact OD1-N 3.46Å; D200-V203 VanDerWaalsContact OD1-N 3.14Å; D200-V204 WeakPolarHBondContact O-CG2 3.32Å; D200-V204 PolarHBondContact O-N 3.26Å
201P98.4Very high98Very high21 Ų2153.7 Ų53.714%0.13629%0.286CS..Hα-helixtrans-62.8-28.2-175.324.3-33.8000113.1I182 Y186 Y195 S205I182-P201 HydrophobicContact CG2-CB 3.85Å; I182-P201 HydrophobicContact CG2-CG 4.05Å; Y186-P201 HydrophobicContact CD2-CB 3.7Å; Y186-P201 HydrophobicContact CD2-CG 3.51Å; Y186-P201 HydrophobicContact CE2-CB 3.73Å; Y186-P201 HydrophobicContact CE2-CG 4.1Å; Y186-P201 HydrophobicContact CG-CB 4.25Å; Y186-P201 HydrophobicContact CG-CG 3.82Å; Y195-P201 HydrophobicContact CE1-CG 4.41Å; P201-S205 VanDerWaalsContact O-CB 3.31Å; P201-S205 WeakPolarHBondContact O-CB 3.49Å; P201-S205 PolarHBondContact O-N 2.99Å
202G98.7Very high98Very high0 Ų047 Ų470%025%0.248CC..Hα-helixtrans-72.4-39.9173.200000112.5D200 S205 V206D200-G202 PolarHBondContact O-N 3.32Å; D200-G202 VanDerWaalsContact OD1-CA 3.29Å; D200-G202 WeakPolarHBondContact OD1-CA 3.47Å; D200-G202 PolarHBondContact OD1-N 2.96Å; G202-S205 PolarHBondContact O-N 3.24Å; G202-V206 WeakPolarHBondContact O-CG2 3.39Å; G202-V206 PolarHBondContact O-N 3.06Å
203V98.8Very high98.1Very high5 Ų542.7 Ų42.73%0.0323%0.23CC..Hα-helixtrans-63.7-45.5174.5171.20000110.5V179 D200 S205 V206 S207 E232 E235 L236V179-V203 HydrophobicContact CG1-CG2 4.01Å; D200-V203 HydrophobicContact CB-CB 3.93Å; D200-V203 HydrophobicContact CB-CG2 3.73Å; D200-V203 WeakPolarHBondContact O-CB 3.16Å; D200-V203 PolarHBondContact O-N 3.03Å; D200-V203 PolarHBondContact OD1-N 3.46Å; D200-V203 VanDerWaalsContact OD1-N 3.14Å; V203-S205 PolarHBondContact O-N 3.33Å; V203-V206 PolarHBondContact O-N 3.41Å; V203-S207 WeakPolarHBondContact O-CB 3.23Å; V203-S207 PolarHBondContact O-N 3.1Å; V203-S207 PolarHBondContact O-OG 2.81Å; V203-E232 HydrophobicContact CG2-CB 3.95Å; V203-E232 HydrophobicContact CG2-CG 4.04Å; V203-E235 HydrophobicContact CG1-CB 3.64Å; V203-E235 HydrophobicContact CG2-CB 4.48Å; V203-L236 HydrophobicContact CG1-CD2 4.01Å; V203-L236 HydrophobicContact CG1-CG 4.25Å; V203-L236 HydrophobicContact CG2-CG 4.49Å
204V98.7Very high98.3Very high57 Ų5740.4 Ų40.435%0.34522%0.22SC..Hα-helixtrans-57.4-50.1175.2173.50000110.1D200 V206 S207 E208D200-V204 WeakPolarHBondContact O-CG2 3.32Å; D200-V204 PolarHBondContact O-N 3.26Å; V204-V206 PolarHBondContact O-N 2.57Å; V204-S207 WeakPolarHBondContact O-CB 3.44Å; V204-S207 PolarHBondContact O-N 3.48Å; V204-E208 HydrophobicContact CG1-CG 4.36Å; V204-E208 WeakPolarHBondContact O-CG 3.33Å; V204-E208 PolarHBondContact O-N 2.63Å
205S98.8Very high98.4Very high17 Ų1736 Ų3612%0.11920%0.199CC..Hα-helixtrans-55.1-49.6179.1-178.10000112.9P201 G202 V203 S207 E208 I209P201-S205 VanDerWaalsContact O-CB 3.31Å; P201-S205 WeakPolarHBondContact O-CB 3.49Å; P201-S205 PolarHBondContact O-N 2.99Å; G202-S205 PolarHBondContact O-N 3.24Å; V203-S205 PolarHBondContact O-N 3.33Å; S205-S207 VanDerWaalsContact C-N 3.35Å; S205-S207 PolarHBondContact O-N 3.46Å; S205-E208 PolarHBondContact O-N 3.09Å; S205-I209 WeakPolarHBondContact O-CD1 3.37Å; S205-I209 VanDerWaalsContact O-CG1 3.24Å; S205-I209 WeakPolarHBondContact O-CG1 3.41Å; S205-I209 PolarHBondContact O-N 3.25Å
206V98.8Very high98.4Very high0 Ų035.3 Ų35.30%020%0.197CC..Hα-helixtrans-66.9-38.2179.6177.80000111.9P177 V179 G202 V203 V204 I209 Y210 V222 L236P177-V206 HydrophobicContact CB-CG2 3.67Å; P177-V206 HydrophobicContact CG-CB 4.42Å; P177-V206 HydrophobicContact CG-CG1 4.2Å; P177-V206 HydrophobicContact CG-CG2 3.51Å; V179-V206 HydrophobicContact CG2-CB 4.45Å; V179-V206 HydrophobicContact CG2-CG2 3.5Å; G202-V206 WeakPolarHBondContact O-CG2 3.39Å; G202-V206 PolarHBondContact O-N 3.06Å; V203-V206 PolarHBondContact O-N 3.41Å; V204-V206 PolarHBondContact O-N 2.57Å; V206-I209 PolarHBondContact O-N 2.72Å; V206-Y210 WeakPolarHBondContact O-CB 3.48Å; V206-Y210 PolarHBondContact O-N 3.1Å; V206-V222 HydrophobicContact CG1-CG1 3.98Å; V206-L236 HydrophobicContact CB-CD1 4Å; V206-L236 HydrophobicContact CB-CD2 3.9Å; V206-L236 HydrophobicContact CG1-CD1 3.96Å; V206-L236 HydrophobicContact CG1-CD2 3.9Å; V206-L236 HydrophobicContact CG2-CD1 4.37Å
207S98.7Very high98.4Very high25 Ų2533.9 Ų33.918%0.17519%0.187CC..Hα-helixtrans-61.5-47177.4-58.40000110.9V203 V204 S205 I209 Y210 Q211 L236V203-S207 WeakPolarHBondContact O-CB 3.23Å; V203-S207 PolarHBondContact O-N 3.1Å; V203-S207 PolarHBondContact O-OG 2.81Å; V204-S207 WeakPolarHBondContact O-CB 3.44Å; V204-S207 PolarHBondContact O-N 3.48Å; S205-S207 VanDerWaalsContact C-N 3.35Å; S205-S207 PolarHBondContact O-N 3.46Å; S207-I209 PolarHBondContact O-N 2.88Å; S207-Y210 PolarHBondContact O-N 3.31Å; S207-Q211 VanDerWaalsContact O-CG 3.22Å; S207-Q211 WeakPolarHBondContact O-CG 3.33Å; S207-Q211 PolarHBondContact O-N 3.09Å; S207-L236 WeakPolarHBondContact OG-CD2 3.24Å
208E98.7Very high98.5Very high118 Ų11831.6 Ų31.655%0.55117%0.172SC*.Hα-helixtrans-61.9-42.9176.8-70.9177.416000112.3V204 S205 Q211 Y212V204-E208 HydrophobicContact CG1-CG 4.36Å; V204-E208 WeakPolarHBondContact O-CG 3.33Å; V204-E208 PolarHBondContact O-N 2.63Å; S205-E208 PolarHBondContact O-N 3.09Å; E208-Q211 PolarHBondContact O-N 3.47Å; E208-Y212 WeakPolarHBondContact O-CB 3.46Å; E208-Y212 PolarHBondContact O-N 2.84Å
209I98.9Very high98.6Very high1 Ų136.8 Ų36.81%0.00519%0.185CC..Hα-helixtrans-61.1-47.6175.9-69.3163.9000110.9L158 F161 A164 I175 P177 S205 V206 S207 Q211 Y212 Y213 V222L158-I209 HydrophobicContact CD2-CD1 3.91Å; F161-I209 HydrophobicContact CD2-CG1 4.35Å; A164-I209 HydrophobicContact CB-CB 4.32Å; A164-I209 HydrophobicContact CB-CD1 3.74Å; A164-I209 HydrophobicContact CB-CG1 3.62Å; A164-I209 HydrophobicContact CB-CG2 3.76Å; I175-I209 HydrophobicContact CD1-CG2 3.6Å; P177-I209 HydrophobicContact CB-CD1 4.3Å; S205-I209 WeakPolarHBondContact O-CD1 3.37Å; S205-I209 VanDerWaalsContact O-CG1 3.24Å; S205-I209 WeakPolarHBondContact O-CG1 3.41Å; S205-I209 PolarHBondContact O-N 3.25Å; V206-I209 PolarHBondContact O-N 2.72Å; S207-I209 PolarHBondContact O-N 2.88Å; I209-Q211 PolarHBondContact O-N 2.85Å; I209-Y212 PolarHBondContact O-N 3.22Å; I209-Y213 HydrophobicContact CG2-CD1 4.21Å; I209-Y213 HydrophobicContact CG2-CE1 3.99Å; I209-Y213 HydrophobicContact CG2-CE2 4.48Å; I209-Y213 WeakPolarHBondContact O-CB 3.33Å; I209-Y213 WeakPolarHBondContact O-CD1 3.49Å; I209-Y213 PolarHBondContact O-N 3Å; I209-V222 HydrophobicContact CG2-CG1 4.3Å; I209-V222 HydrophobicContact CG2-CG2 4.19Å
210Y98.8Very high98.6Very high10 Ų1031.9 Ų31.94%0.03916%0.163CC..Hα-helixtrans-57.7-50.5177.1175-86.8000111.1V206 S207 Y212 Y213 K214 G238 L263V206-Y210 WeakPolarHBondContact O-CB 3.48Å; V206-Y210 PolarHBondContact O-N 3.1Å; S207-Y210 PolarHBondContact O-N 3.31Å; Y210-Y212 VanDerWaalsContact C-N 3.34Å; Y210-Y212 PolarHBondContact O-N 3.42Å; Y210-Y213 PolarHBondContact O-N 2.95Å; Y210-K214 HydrophobicContact CD1-CG 4.2Å; Y210-K214 HydrophobicContact CE1-CG 3.8Å; Y210-K214 HydrophobicContact CE2-CD 4.41Å; Y210-K214 HydrophobicContact CE2-CG 4.25Å; Y210-K214 WeakPolarHBondContact O-CG 3.39Å; Y210-K214 PolarHBondContact O-N 2.91Å; Y210-G238 PolarHBondContact OH-O 2.71Å; Y210-L263 HydrophobicContact CD1-CB 4.07Å; Y210-L263 HydrophobicContact CD1-CD1 4.24Å; Y210-L263 HydrophobicContact CD2-CD1 4.41Å; Y210-L263 HydrophobicContact CE1-CB 3.96Å; Y210-L263 HydrophobicContact CG-CD1 4Å
211Q98.5Very high98.6Very high64 Ų6432.7 Ų32.730%0.29917%0.168SC..Hα-helixtrans-59.6-45.8179.8-67.1-61.2-24.700111.2S207 E208 I209 Y213 K214 E215 S264S207-Q211 VanDerWaalsContact O-CG 3.22Å; S207-Q211 WeakPolarHBondContact O-CG 3.33Å; S207-Q211 PolarHBondContact O-N 3.09Å; E208-Q211 PolarHBondContact O-N 3.47Å; I209-Q211 PolarHBondContact O-N 2.85Å; Q211-Y213 VanDerWaalsContact C-N 3.34Å; Q211-Y213 PolarHBondContact O-N 3.2Å; Q211-K214 PolarHBondContact O-N 3.42Å; Q211-E215 WeakPolarHBondContact O-CB 3.35Å; Q211-E215 PolarHBondContact O-N 2.75Å; Q211-S264 PolarHBondContact NE2-O 2.64Å; Q211-S264 VanDerWaalsContact NE2-O 3.12Å
212Y98.7Very high98.7Very high24 Ų2431.7 Ų31.79%0.09416%0.162CC..Hα-helixtrans-59.9-42.7176.4174.3-108000112.6F161 R165 E208 I209 Y210 E215 H216 Y218 P273F161-Y212 AromaticContact CE2-CD1 3.68Å; F161-Y212 HydrophobicContact CE2-CD1 3.68Å; F161-Y212 HydrophobicContact CE2-CD2 4.15Å; F161-Y212 HydrophobicContact CE2-CE1 4.39Å; F161-Y212 AromaticContact CE2-CG 3.58Å; F161-Y212 HydrophobicContact CE2-CG 3.58Å; F161-Y212 AromaticContact CZ-CD1 3.53Å; F161-Y212 HydrophobicContact CZ-CD1 3.53Å; F161-Y212 AromaticContact CZ-CD2 3.6Å; F161-Y212 HydrophobicContact CZ-CD2 3.6Å; F161-Y212 AromaticContact CZ-CE1 3.84Å; F161-Y212 HydrophobicContact CZ-CE1 3.84Å; F161-Y212 AromaticContact CZ-CE2 3.85Å; F161-Y212 HydrophobicContact CZ-CE2 3.85Å; F161-Y212 AromaticContact CZ-CG 3.45Å; F161-Y212 HydrophobicContact CZ-CG 3.45Å; F161-Y212 VanDerWaalsContact CZ-CG 3.45Å; F161-Y212 AromaticContact CZ-CZ 3.99Å; R165-Y212 HydrophobicContact CB-CE1 4.23Å; R165-Y212 HydrophobicContact CG-CE1 4.27Å; E208-Y212 WeakPolarHBondContact O-CB 3.46Å; E208-Y212 PolarHBondContact O-N 2.84Å; I209-Y212 PolarHBondContact O-N 3.22Å; Y210-Y212 VanDerWaalsContact C-N 3.34Å; Y210-Y212 PolarHBondContact O-N 3.42Å; Y212-E215 PolarHBondContact O-N 3.31Å; Y212-H216 AromaticContact CD2-CE1 3.36Å; Y212-H216 WeakPolarHBondContact CD2-CE1 3.18Å; Y212-H216 AromaticContact CD2-ND1 3.23Å; Y212-H216 WeakPolarHBondContact CD2-ND1 3.11Å; Y212-H216 AromaticContact CE2-CE1 3.24Å; Y212-H216 WeakPolarHBondContact CE2-CE1 3.15Å; Y212-H216 AromaticContact CE2-CG 3.91Å; Y212-H216 AromaticContact CE2-ND1 3.21Å; Y212-H216 WeakPolarHBondContact CE2-ND1 3.5Å; Y212-H216 AromaticContact CE2-NE2 3.91Å; Y212-H216 AromaticContact CZ-ND1 3.97Å; Y212-H216 PolarHBondContact O-N 2.71Å; Y212-H216 VanDerWaalsContact O-N 3.09Å; Y212-H216 PolarHBondContact O-ND1 3.37Å; Y212-Y218 HydrophobicContact CE1-CD2 4.26Å; Y212-Y218 AromaticContact CE1-CE2 3.73Å; Y212-Y218 HydrophobicContact CE1-CE2 3.73Å; Y212-Y218 AromaticContact CZ-CE2 3.9Å; Y212-P273 VanDerWaalsContact OH-CG 3.3Å; Y212-P273 WeakPolarHBondContact OH-CG 3.38Å
213Y98.7Very high98.7Very high0 Ų031.8 Ų31.80%016%0.162CC..Hα-helixtrans-63.2-47.6179.1-83.524.5000111.5A164 A168 I175 I209 Y210 Q211 H216 G217 Y218 T220 V222A164-Y213 HydrophobicContact CB-CE1 4.29Å; A164-Y213 PolarHBondContact O-OH 2.98Å; A168-Y213 HydrophobicContact CB-CD1 4.09Å; A168-Y213 HydrophobicContact CB-CE1 3.42Å; A168-Y213 VanDerWaalsContact CB-CE1 3.42Å; A168-Y213 HydrophobicContact CB-CE2 4.12Å; A168-Y213 VanDerWaalsContact CB-CZ 3.44Å; A168-Y213 PolarHBondContact N-OH 2.95Å; I175-Y213 HydrophobicContact CD1-CE2 3.71Å; I175-Y213 WeakPolarHBondContact CD1-OH 3.27Å; I175-Y213 HydrophobicContact CG1-CE2 4Å; I209-Y213 HydrophobicContact CG2-CD1 4.21Å; I209-Y213 HydrophobicContact CG2-CE1 3.99Å; I209-Y213 HydrophobicContact CG2-CE2 4.48Å; I209-Y213 WeakPolarHBondContact O-CB 3.33Å; I209-Y213 WeakPolarHBondContact O-CD1 3.49Å; I209-Y213 PolarHBondContact O-N 3Å; Y210-Y213 PolarHBondContact O-N 2.95Å; Q211-Y213 VanDerWaalsContact C-N 3.34Å; Q211-Y213 PolarHBondContact O-N 3.2Å; Y213-H216 PolarHBondContact O-N 3.5Å; Y213-G217 PolarHBondContact O-N 3.44Å; Y213-G217 VanDerWaalsContact O-N 3.1Å; Y213-Y218 HydrophobicContact CD1-CD2 4.33Å; Y213-Y218 PolarHBondContact O-N 3.37Å; Y213-T220 HydrophobicContact CD2-CG2 4.48Å; Y213-T220 VanDerWaalsContact CD2-O 3.31Å; Y213-T220 WeakPolarHBondContact CD2-O 3.38Å; Y213-T220 HydrophobicContact CE2-CG2 3.64Å; Y213-V222 HydrophobicContact CD2-CG2 3.36Å; Y213-V222 HydrophobicContact CE2-CG2 3.77Å; Y213-V222 HydrophobicContact CG-CG2 4.06Å
214K98.5Very high98.7Very high49 Ų4931.6 Ų31.621%0.21316%0.161CC..Hα-helixtrans-67.7-40.2178.5-57-43.1176.6-169.40111.8Y210 Q211 H216 G217 D240 Y265Y210-K214 HydrophobicContact CD1-CG 4.2Å; Y210-K214 HydrophobicContact CE1-CG 3.8Å; Y210-K214 HydrophobicContact CE2-CD 4.41Å; Y210-K214 HydrophobicContact CE2-CG 4.25Å; Y210-K214 WeakPolarHBondContact O-CG 3.39Å; Y210-K214 PolarHBondContact O-N 2.91Å; Q211-K214 PolarHBondContact O-N 3.42Å; K214-H216 VanDerWaalsContact C-N 3.27Å; K214-H216 PolarHBondContact O-N 3.38Å; K214-G217 PolarHBondContact O-N 2.94Å; K214-D240 WeakPolarHBondContact CE-OD1 3.37Å; K214-D240 IonicContact NZ-OD1 3.95Å; K214-D240 PolarHBondContact NZ-OD1 2.9Å; K214-D240 IonicContact NZ-OD2 3.99Å; K214-D240 PolarHBondContact NZ-OD2 2.66Å; K214-Y265 VanDerWaalsContact CB-CB 3.44Å; K214-Y265 HydrophobicContact CB-CD1 3.58Å; K214-Y265 HydrophobicContact CB-CD2 4.37Å; K214-Y265 HydrophobicContact CB-CE1 4.43Å; K214-Y265 HydrophobicContact CB-CG 3.53Å
215E98.5Very high98.7Very high49 Ų4929 Ų2923%0.22915%0.145CC..Hα-helixtrans-59.8-34.6177.1178.4172.7-112.600112.9Q211 Y212 Y265 V269 K270Q211-E215 WeakPolarHBondContact O-CB 3.35Å; Q211-E215 PolarHBondContact O-N 2.75Å; Y212-E215 PolarHBondContact O-N 3.31Å; E215-Y265 VanDerWaalsContact CA-CZ 3.42Å; E215-Y265 WeakPolarHBondContact CA-OH 3.4Å; E215-Y265 HydrophobicContact CB-CE1 4.39Å; E215-Y265 HydrophobicContact CB-CE2 3.9Å; E215-Y265 WeakPolarHBondContact CB-OH 3.3Å; E215-Y265 WeakPolarHBondContact CG-OH 3.42Å; E215-V269 CarbonylContact O-C 3.56Å; E215-V269 WeakPolarHBondContact O-CA 3.44Å; E215-K270 HydrophobicContact CG-CB 4.33Å; E215-K270 HydrophobicContact CG-CD 3.75Å; E215-K270 HydrophobicContact CG-CG 4.03Å; E215-K270 PolarHBondContact O-N 2.96Å; E215-K270 VanDerWaalsContact OE1-CE 3.22Å; E215-K270 WeakPolarHBondContact OE1-CE 3.49Å; E215-K270 IonicContact OE1-NZ 3.64Å; E215-K270 PolarHBondContact OE1-NZ 3.4Å; E215-K270 IonicContact OE2-NZ 3.76Å
216H98.6Very high98.6Very high23 Ų2328.8 Ų28.811%0.10614%0.144CC..THydrogen-bonded Turntrans-104.712-179.2-62.484.7000113.3Y212 Y213 K214 Y218 A271 R272Y212-H216 AromaticContact CD2-CE1 3.36Å; Y212-H216 WeakPolarHBondContact CD2-CE1 3.18Å; Y212-H216 AromaticContact CD2-ND1 3.23Å; Y212-H216 WeakPolarHBondContact CD2-ND1 3.11Å; Y212-H216 AromaticContact CE2-CE1 3.24Å; Y212-H216 WeakPolarHBondContact CE2-CE1 3.15Å; Y212-H216 AromaticContact CE2-CG 3.91Å; Y212-H216 AromaticContact CE2-ND1 3.21Å; Y212-H216 WeakPolarHBondContact CE2-ND1 3.5Å; Y212-H216 AromaticContact CE2-NE2 3.91Å; Y212-H216 AromaticContact CZ-ND1 3.97Å; Y212-H216 PolarHBondContact O-N 2.71Å; Y212-H216 VanDerWaalsContact O-N 3.09Å; Y212-H216 PolarHBondContact O-ND1 3.37Å; Y213-H216 PolarHBondContact O-N 3.5Å; K214-H216 VanDerWaalsContact C-N 3.27Å; K214-H216 PolarHBondContact O-N 3.38Å; H216-Y218 VanDerWaalsContact C-N 3.29Å; H216-Y218 HydrophobicContact CB-CD2 3.68Å; H216-Y218 HydrophobicContact CB-CE2 3.5Å; H216-Y218 PolarHBondContact O-N 3.01Å; H216-A271 PolarHBondContact CD2-O 2.91Å; H216-R272 HydrophobicContact CB-CG 4.16Å; H216-R272 VanDerWaalsContact O-CG 3.23Å; H216-R272 WeakPolarHBondContact O-CG 3.42Å; H216-R272 PolarHBondContact O-NE 2.95Å
217G98.1Very high98.6Very high20 Ų2029.5 Ų29.521%0.20615%0.147CC..THydrogen-bonded Turntrans5838.9178.100000113Y213 K214 R272Y213-G217 PolarHBondContact O-N 3.44Å; Y213-G217 VanDerWaalsContact O-N 3.1Å; K214-G217 PolarHBondContact O-N 2.94Å; G217-R272 PolarHBondContact O-NH2 3.21Å
218Y98.6Very high98.6Very high10 Ų1033.2 Ų33.24%0.03916%0.157CC..  trans-79.1130.5171.6-69.8-69.2000110.1A168 E169 Y212 Y213 H216 T220 R272A168-Y218 HydrophobicContact CB-CD1 3.67Å; A168-Y218 HydrophobicContact CB-CD2 3.92Å; A168-Y218 HydrophobicContact CB-CE1 3.98Å; A168-Y218 HydrophobicContact CB-CE2 4.2Å; A168-Y218 HydrophobicContact CB-CG 3.64Å; E169-Y218 HydrophobicContact CG-CE1 4.35Å; E169-Y218 WeakPolarHBondContact CG-OH 3.3Å; Y212-Y218 HydrophobicContact CE1-CD2 4.26Å; Y212-Y218 AromaticContact CE1-CE2 3.73Å; Y212-Y218 HydrophobicContact CE1-CE2 3.73Å; Y212-Y218 AromaticContact CZ-CE2 3.9Å; Y213-Y218 HydrophobicContact CD1-CD2 4.33Å; Y213-Y218 PolarHBondContact O-N 3.37Å; H216-Y218 VanDerWaalsContact C-N 3.29Å; H216-Y218 HydrophobicContact CB-CD2 3.68Å; H216-Y218 HydrophobicContact CB-CE2 3.5Å; H216-Y218 PolarHBondContact O-N 3.01Å; Y218-T220 VanDerWaalsContact C-N 3.34Å; Y218-R272 HydrophobicContact CE1-CG 4.08Å; Y218-R272 HydrophobicContact CE2-CG 4.4Å
219E98Very high98.6Very high167 Ų16730.2 Ų30.278%0.7815%0.145SC*.  trans-83.5-11.6-179.4-60.8-58.2137.800113.1V221E219-V221 PolarHBondContact O-N 2.95Å
220T98.9Very high98.5Very high5 Ų531 Ų313%0.03115%0.149CC..PPolyproline II helixtrans-55.8125.7176.8-60.60000109.9V172 I175 Y213 Y218 V222V172-T220 HydrophobicContact CG2-CG2 3.76Å; V172-T220 VanDerWaalsContact O-CB 3.31Å; V172-T220 WeakPolarHBondContact O-CB 3.32Å; V172-T220 VanDerWaalsContact O-CG2 3.23Å; V172-T220 WeakPolarHBondContact O-CG2 3.16Å; V172-T220 PolarHBondContact O-OG1 3.43Å; I175-T220 HydrophobicContact CG1-CG2 4.31Å; I175-T220 HydrophobicContact CG2-CG2 3.85Å; Y213-T220 HydrophobicContact CD2-CG2 4.48Å; Y213-T220 VanDerWaalsContact CD2-O 3.31Å; Y213-T220 WeakPolarHBondContact CD2-O 3.38Å; Y213-T220 HydrophobicContact CE2-CG2 3.64Å; Y218-T220 VanDerWaalsContact C-N 3.34Å; T220-V222 PolarHBondContact O-N 3.32Å
221V98.8Very high98.5Very high22 Ų2231.2 Ų31.213%0.13315%0.154CC..EExtended strand (participates in β ladder)trans-71.7127.7179.8173.40000110F173 L174 I175 E219 D240 R241F173-V221 HydrophobicContact CE1-CG2 4.28Å; F173-V221 HydrophobicContact CZ-CG2 4.34Å; F173-V221 WeakPolarHBondContact O-CB 3.42Å; F173-V221 PolarHBondContact O-N 2.95Å; L174-V221 CarbonylContact C-O 3.59Å; L174-V221 WeakPolarHBondContact CA-O 3.31Å; L174-V221 HydrophobicContact CB-CB 4.02Å; L174-V221 HydrophobicContact CD1-CB 4.13Å; L174-V221 HydrophobicContact CD1-CG1 3.74Å; L174-V221 HydrophobicContact CG-CB 4.02Å; L174-V221 HydrophobicContact CG-CG1 4Å; I175-V221 PolarHBondContact N-O 2.81Å; E219-V221 PolarHBondContact O-N 2.95Å; V221-D240 HydrophobicContact CG1-CB 3.74Å; V221-R241 HydrophobicContact CG1-CB 4.32Å; V221-R241 HydrophobicContact CG1-CG 3.54Å
222V98.9Very high98.5Very high0 Ų028.1 Ų28.10%014%0.14CC..EExtended strand (participates in β ladder)trans-88.8116.1170.8-172.40000109.5I175 P177 V206 I209 Y213 T220 C239 D240 R241I175-V222 HydrophobicContact CD1-CG1 4.33Å; I175-V222 HydrophobicContact CD1-CG2 4.28Å; I175-V222 HydrophobicContact CG1-CG2 4.43Å; P177-V222 HydrophobicContact CG-CG1 4.24Å; V206-V222 HydrophobicContact CG1-CG1 3.98Å; I209-V222 HydrophobicContact CG2-CG1 4.3Å; I209-V222 HydrophobicContact CG2-CG2 4.19Å; Y213-V222 HydrophobicContact CD2-CG2 3.36Å; Y213-V222 HydrophobicContact CE2-CG2 3.77Å; Y213-V222 HydrophobicContact CG-CG2 4.06Å; T220-V222 PolarHBondContact O-N 3.32Å; V222-C239 PolarHBondContact O-SG 3.3Å; V222-D240 PolarHBondContact N-OD2 2.79Å; V222-D240 WeakPolarHBondContact O-CB 3.39Å; V222-R241 PolarHBondContact O-N 3.34Å; V222-R241 VanDerWaalsContact O-N 3.11Å
223M98.9Very high98.5Very high2 Ų227 Ų271%0.0114%0.135CC..EExtended strand (participates in β ladder)trans-115.696.8176.3-173.1166.270.100111.9V15 T33 L174 I175 S176 P177 A225 R241 T243V15-M223 HydrophobicContact CB-SD 3.95Å; V15-M223 HydrophobicContact CG1-SD 3.94Å; V15-M223 HydrophobicContact CG2-SD 3.76Å; T33-M223 HydrophobicContact CG2-CE 3.39Å; T33-M223 HydrophobicContact CG2-SD 4.41Å; L174-M223 HydrophobicContact CD1-CB 4.03Å; L174-M223 HydrophobicContact CD1-CE 4.09Å; L174-M223 HydrophobicContact CD1-SD 4Å; L174-M223 HydrophobicContact CD2-CB 3.89Å; L174-M223 HydrophobicContact CD2-CE 3.61Å; L174-M223 HydrophobicContact CD2-SD 4.46Å; L174-M223 HydrophobicContact CG-CB 4.05Å; L174-M223 HydrophobicContact CG-CE 4.48Å; I175-M223 WeakPolarHBondContact O-CA 3.27Å; I175-M223 WeakPolarHBondContact O-CB 3.14Å; I175-M223 PolarHBondContact O-N 3.4Å; S176-M223 VanDerWaalsContact CA-O 3.3Å; S176-M223 WeakPolarHBondContact CA-O 3.36Å; S176-M223 VanDerWaalsContact OG-CE 3.25Å; S176-M223 WeakPolarHBondContact OG-CE 3.23Å; P177-M223 WeakPolarHBondContact CD-O 3.28Å; M223-A225 PolarHBondContact O-N 2.91Å; M223-R241 VanDerWaalsContact CA-O 3.25Å; M223-R241 WeakPolarHBondContact CA-O 3.37Å; M223-R241 HydrophobicContact CB-CB 3.85Å; M223-R241 HydrophobicContact CG-CB 3.6Å; M223-R241 HydrophobicContact SD-CB 3.9Å; M223-T243 HydrophobicContact CE-CG2 4.01Å; M223-T243 HydrophobicContact CG-CG2 4.3Å; M223-T243 HydrophobicContact SD-CG2 4.32Å
224G98.8Very high98.5Very high0 Ų028.6 Ų28.60%014%0.143CC..EExtended strand (participates in β ladder)trans-57.7138.8173.800000111.3F227 R241 L242 T243G224-F227 VanDerWaalsContact O-CE2 3.27Å; G224-F227 WeakPolarHBondContact O-CE2 3.49Å; G224-F227 WeakPolarHBondContact O-CZ 3.47Å; G224-R241 PolarHBondContact N-O 3.37Å; G224-L242 WeakPolarHBondContact O-CA 3.23Å; G224-T243 PolarHBondContact O-N 3.4Å
225A98.7Very high98.5Very high2 Ų228.3 Ų28.32%0.01714%0.143CC..BIsolated β-bridgetrans-142.7171.4-172.800000112.8P177 F178 V179 M223 F227 T243P177-A225 PolarHBondContact O-N 3.03Å; F178-A225 HydrophobicContact CD1-CB 3.88Å; F178-A225 HydrophobicContact CE1-CB 4Å; V179-A225 PolarHBondContact N-O 3.43Å; M223-A225 PolarHBondContact O-N 2.91Å; A225-F227 PolarHBondContact O-N 3.36Å; A225-T243 HydrophobicContact CB-CG2 3.46Å; A225-T243 VanDerWaalsContact CB-CG2 3.46Å
226S98.2Very high98.5Very high14 Ų1426 Ų2610%0.09813%0.132CC..  trans57.744.6173.7177.60000113.5G180 R228G180-S226 WeakPolarHBondContact CA-O 3.45Å; G180-S226 PolarHBondContact N-O 3.5Å; S226-R228 PolarHBondContact O-NH1 3.43Å; S226-R228 PolarHBondContact OG-NH1 2.97Å
227F98.7Very high98.5Very high15 Ų1524.9 Ų24.97%0.06613%0.127CC..  trans-65.6154.4178.6-58.5-70.7000113.5V179 G224 A225 E232 I233 L236 L242 T243 I244 L248V179-F227 HydrophobicContact CB-CD1 4.12Å; V179-F227 HydrophobicContact CB-CE1 4.02Å; V179-F227 HydrophobicContact CG1-CD1 4.24Å; V179-F227 HydrophobicContact CG1-CE1 4.3Å; V179-F227 HydrophobicContact CG2-CD1 4.38Å; V179-F227 HydrophobicContact CG2-CE1 3.78Å; V179-F227 HydrophobicContact CG2-CZ 4.45Å; G224-F227 VanDerWaalsContact O-CE2 3.27Å; G224-F227 WeakPolarHBondContact O-CE2 3.49Å; G224-F227 WeakPolarHBondContact O-CZ 3.47Å; A225-F227 PolarHBondContact O-N 3.36Å; F227-E232 WeakPolarHBondContact CA-OE2 3.48Å; F227-E232 HydrophobicContact CD1-CB 3.76Å; F227-E232 HydrophobicContact CE1-CB 4.39Å; F227-I233 HydrophobicContact CB-CD1 4.16Å; F227-I233 HydrophobicContact CB-CG1 4.05Å; F227-I233 HydrophobicContact CD1-CG1 3.71Å; F227-I233 HydrophobicContact CD2-CD1 4.12Å; F227-I233 HydrophobicContact CD2-CG1 3.78Å; F227-I233 HydrophobicContact CE1-CG1 4.11Å; F227-I233 HydrophobicContact CE2-CG1 4.18Å; F227-I233 HydrophobicContact CG-CD1 4.04Å; F227-I233 HydrophobicContact CG-CG1 3.53Å; F227-I233 HydrophobicContact CZ-CG1 4.34Å; F227-L236 HydrophobicContact CE1-CD1 3.88Å; F227-L236 HydrophobicContact CZ-CD1 4.35Å; F227-L242 HydrophobicContact CE1-CD2 4.49Å; F227-L242 HydrophobicContact CE2-CB 4.12Å; F227-L242 HydrophobicContact CE2-CD2 4.36Å; F227-L242 HydrophobicContact CZ-CB 4.24Å; F227-L242 HydrophobicContact CZ-CD2 3.62Å; F227-L242 HydrophobicContact CZ-CG 4.35Å; F227-T243 WeakPolarHBondContact CD2-O 3.17Å; F227-T243 VanDerWaalsContact CE2-O 3.31Å; F227-T243 WeakPolarHBondContact CE2-O 3.47Å; F227-I244 HydrophobicContact CD2-CG1 4.22Å; F227-I244 HydrophobicContact CE2-CG1 4.17Å; F227-L248 HydrophobicContact CB-CD1 3.49Å; F227-L248 VanDerWaalsContact CB-CD1 3.49Å
228R98Very high98.5Very high102 Ų10224 Ų2439%0.38512%0.118SC..SBendtrans-108.9-25.3171.3-63-70169.5-86.4-2113.3D184 S226 E232D184-R228 IonicContact OD1-CZ 3.58Å; D184-R228 IonicContact OD1-NE 3.56Å; D184-R228 PolarHBondContact OD1-NE 3.44Å; D184-R228 IonicContact OD1-NH2 3.97Å; D184-R228 IonicContact OD2-CZ 3.35Å; D184-R228 IonicContact OD2-NE 3.19Å; D184-R228 PolarHBondContact OD2-NE 3.44Å; D184-R228 IonicContact OD2-NH2 3.24Å; D184-R228 PolarHBondContact OD2-NH2 2.58Å; S226-R228 PolarHBondContact O-NH1 3.43Å; S226-R228 PolarHBondContact OG-NH1 2.97Å; R228-E232 WeakPolarHBondContact CB-OE1 3.46Å; R228-E232 PolarHBondContact N-OE2 2.9Å
229N98Very high98.5Very high56 Ų5623.6 Ų23.630%0.29912%0.116SC..SBendtrans-152.8163.3-176.262.280.7000110.4G231 E232N229-G231 PolarHBondContact O-N 2.81Å; N229-G231 VanDerWaalsContact OD1-CA 3.27Å; N229-G231 WeakPolarHBondContact OD1-CA 3.27Å; N229-G231 PolarHBondContact OD1-N 3.01Å; N229-E232 PolarHBondContact ND2-OE1 3.38Å; N229-E232 PolarHBondContact OD1-N 3.12Å; N229-E232 VanDerWaalsContact OD1-N 3.11Å
230I98.1Very high98.5Very high18 Ų1817.5 Ų17.59%0.0929%0.089CC..Hα-helixtrans-69.9-20.6179.164166.9000113.3E232 I233 L234 L248 E251 L252I230-E232 VanDerWaalsContact C-N 3.34Å; I230-E232 PolarHBondContact O-N 2.95Å; I230-I233 WeakPolarHBondContact O-CB 3.4Å; I230-I233 PolarHBondContact O-N 3.44Å; I230-I233 VanDerWaalsContact O-N 3.14Å; I230-L234 VanDerWaalsContact O-CG 3.23Å; I230-L234 WeakPolarHBondContact O-CG 3.26Å; I230-L234 PolarHBondContact O-N 3.36Å; I230-L248 HydrophobicContact CG2-CB 4.49Å; I230-L248 HydrophobicContact CG2-CD2 4.14Å; I230-E251 HydrophobicContact CD1-CG 4.15Å; I230-E251 WeakPolarHBondContact CD1-OE1 3.44Å; I230-E251 WeakPolarHBondContact CG1-OE1 3.5Å; I230-E251 HydrophobicContact CG2-CB 3.87Å; I230-E251 HydrophobicContact CG2-CG 3.85Å; I230-L252 HydrophobicContact CB-CD2 3.95Å; I230-L252 HydrophobicContact CB-CG 4.33Å; I230-L252 HydrophobicContact CG2-CD2 3.96Å; I230-L252 HydrophobicContact CG2-CG 3.78Å
231G98.2Very high98.5Very high13 Ų1318.8 Ų18.813%0.1349%0.094CC..Hα-helixtrans-59.3-44.717700000112.1N229 I233 L234 E235N229-G231 PolarHBondContact O-N 2.81Å; N229-G231 VanDerWaalsContact OD1-CA 3.27Å; N229-G231 WeakPolarHBondContact OD1-CA 3.27Å; N229-G231 PolarHBondContact OD1-N 3.01Å; G231-I233 VanDerWaalsContact C-N 3.28Å; G231-I233 PolarHBondContact O-N 2.86Å; G231-L234 PolarHBondContact O-N 3.23Å; G231-E235 PolarHBondContact O-N 3.28Å
232E98.7Very high98.5Very high0 Ų017.7 Ų17.70%09%0.087CC..Hα-helixtrans-58.2-40.3173.9-67.1165.3-163.900112.3V179 L183 V203 F227 R228 N229 I230 L236V179-E232 HydrophobicContact CG1-CB 4.02Å; V179-E232 HydrophobicContact CG1-CG 3.94Å; L183-E232 WeakPolarHBondContact CD2-OE1 3.49Å; V203-E232 HydrophobicContact CG2-CB 3.95Å; V203-E232 HydrophobicContact CG2-CG 4.04Å; F227-E232 WeakPolarHBondContact CA-OE2 3.48Å; F227-E232 HydrophobicContact CD1-CB 3.76Å; F227-E232 HydrophobicContact CE1-CB 4.39Å; R228-E232 WeakPolarHBondContact CB-OE1 3.46Å; R228-E232 PolarHBondContact N-OE2 2.9Å; N229-E232 PolarHBondContact ND2-OE1 3.38Å; N229-E232 PolarHBondContact OD1-N 3.12Å; N229-E232 VanDerWaalsContact OD1-N 3.11Å; I230-E232 VanDerWaalsContact C-N 3.34Å; I230-E232 PolarHBondContact O-N 2.95Å; E232-L236 WeakPolarHBondContact O-CG 3.36Å; E232-L236 PolarHBondContact O-N 3.23Å
233I98.8Very high98.5Very high0 Ų017.9 Ų17.90%09%0.088CC..Hα-helixtrans-68.7-43.4180-64.2167.4000110.6L8 F227 I230 G231 L236 A237 L242 I244 L248 L252L8-I233 HydrophobicContact CD2-CG2 3.65Å; F227-I233 HydrophobicContact CB-CD1 4.16Å; F227-I233 HydrophobicContact CB-CG1 4.05Å; F227-I233 HydrophobicContact CD1-CG1 3.71Å; F227-I233 HydrophobicContact CD2-CD1 4.12Å; F227-I233 HydrophobicContact CD2-CG1 3.78Å; F227-I233 HydrophobicContact CE1-CG1 4.11Å; F227-I233 HydrophobicContact CE2-CG1 4.18Å; F227-I233 HydrophobicContact CG-CD1 4.04Å; F227-I233 HydrophobicContact CG-CG1 3.53Å; F227-I233 HydrophobicContact CZ-CG1 4.34Å; I230-I233 WeakPolarHBondContact O-CB 3.4Å; I230-I233 PolarHBondContact O-N 3.44Å; I230-I233 VanDerWaalsContact O-N 3.14Å; G231-I233 VanDerWaalsContact C-N 3.28Å; G231-I233 PolarHBondContact O-N 2.86Å; I233-L236 CarbonylContact O-C 3.54Å; I233-L236 PolarHBondContact O-N 2.8Å; I233-A237 PolarHBondContact O-N 3.29Å; I233-L242 HydrophobicContact CG2-CD1 3.91Å; I233-I244 HydrophobicContact CD1-CD1 4.15Å; I233-I244 HydrophobicContact CD1-CG1 4.1Å; I233-I244 HydrophobicContact CD1-CG2 3.62Å; I233-I244 HydrophobicContact CG2-CD1 3.95Å; I233-L248 HydrophobicContact CD1-CB 3.97Å; I233-L248 HydrophobicContact CD1-CD1 4.02Å; I233-L252 HydrophobicContact CD1-CD1 4.05Å; I233-L252 HydrophobicContact CG2-CD1 3.95Å
234L98.4Very high98.5Very high33 Ų3317.8 Ų17.817%0.1739%0.088CC..Hα-helixtrans-66.5-38.6-179.9-66176.8000111.7K4 I230 G231 L236 A237 L252 I259 K262K4-L234 HydrophobicContact CD-CD1 4.14Å; K4-L234 HydrophobicContact CD-CD2 4.23Å; I230-L234 VanDerWaalsContact O-CG 3.23Å; I230-L234 WeakPolarHBondContact O-CG 3.26Å; I230-L234 PolarHBondContact O-N 3.36Å; G231-L234 PolarHBondContact O-N 3.23Å; L234-L236 PolarHBondContact O-N 3.24Å; L234-A237 VanDerWaalsContact O-CB 3.28Å; L234-A237 WeakPolarHBondContact O-CB 3.21Å; L234-A237 PolarHBondContact O-N 2.92Å; L234-L252 HydrophobicContact CD2-CD2 4.14Å; L234-I259 HydrophobicContact CD2-CB 4.1Å; L234-I259 HydrophobicContact CD2-CD1 4.26Å; L234-I259 HydrophobicContact CD2-CG2 3.46Å; L234-I259 VanDerWaalsContact CD2-CG2 3.46Å; L234-K262 WeakPolarHBondContact O-CG 3.3Å
235E98.7Very high98.5Very high44 Ų4419.5 Ų19.521%0.20610%0.102CC..Hα-helixtrans-69.6-18.9176.1-71.7-59.1133.400113.5P197 A198 V203 G231 K262P197-E235 HydrophobicContact CB-CG 3.6Å; A198-E235 HydrophobicContact CB-CG 4.46Å; V203-E235 HydrophobicContact CG1-CB 3.64Å; V203-E235 HydrophobicContact CG2-CB 4.48Å; G231-E235 PolarHBondContact O-N 3.28Å; E235-K262 WeakPolarHBondContact O-CB 3.48Å; E235-K262 WeakPolarHBondContact OE1-CE 3.33Å; E235-K262 IonicContact OE1-NZ 2.67Å; E235-K262 WeakPolarHBondContact OE2-CE 3.48Å; E235-K262 IonicContact OE2-NZ 3.96Å
236L98.8Very high98.5Very high0 Ų021.2 Ų21.20%011%0.113CC..THydrogen-bonded Turntrans-100.611.6174.5-64.4178000113.7V179 V203 V206 S207 F227 E232 I233 L234 G238 C239 L242 L263V179-L236 HydrophobicContact CG2-CD1 3.78Å; V203-L236 HydrophobicContact CG1-CD2 4.01Å; V203-L236 HydrophobicContact CG1-CG 4.25Å; V203-L236 HydrophobicContact CG2-CG 4.49Å; V206-L236 HydrophobicContact CB-CD1 4Å; V206-L236 HydrophobicContact CB-CD2 3.9Å; V206-L236 HydrophobicContact CG1-CD1 3.96Å; V206-L236 HydrophobicContact CG1-CD2 3.9Å; V206-L236 HydrophobicContact CG2-CD1 4.37Å; S207-L236 WeakPolarHBondContact OG-CD2 3.24Å; F227-L236 HydrophobicContact CE1-CD1 3.88Å; F227-L236 HydrophobicContact CZ-CD1 4.35Å; E232-L236 WeakPolarHBondContact O-CG 3.36Å; E232-L236 PolarHBondContact O-N 3.23Å; I233-L236 CarbonylContact O-C 3.54Å; I233-L236 PolarHBondContact O-N 2.8Å; L234-L236 PolarHBondContact O-N 3.24Å; L236-G238 PolarHBondContact O-N 3.46Å; L236-C239 HydrophobicContact CB-CB 4.49Å; L236-C239 WeakPolarHBondContact O-CB 3.49Å; L236-C239 PolarHBondContact O-N 2.83Å; L236-L242 HydrophobicContact CB-CD1 4.28Å; L236-L242 HydrophobicContact CB-CD2 3.93Å; L236-L242 HydrophobicContact CD1-CD2 4.24Å; L236-L263 HydrophobicContact CD2-CD1 3.91Å
237A98.6Very high98.5Very high0 Ų024 Ų240%014%0.137CC..THydrogen-bonded Turntrans-58.7123.2174.200000111L8 I233 L234 I259 E260 K262 L263L8-A237 HydrophobicContact CD1-CB 3.98Å; I233-A237 PolarHBondContact O-N 3.29Å; L234-A237 VanDerWaalsContact O-CB 3.28Å; L234-A237 WeakPolarHBondContact O-CB 3.21Å; L234-A237 PolarHBondContact O-N 2.92Å; A237-I259 HydrophobicContact CB-CD1 3.51Å; A237-I259 HydrophobicContact CB-CG1 4.39Å; A237-E260 WeakPolarHBondContact CB-O 3.23Å; A237-K262 PolarHBondContact O-N 3.41Å; A237-L263 PolarHBondContact O-N 3.12Å
238G98.4Very high98.5Very high2 Ų224 Ų242%0.02114%0.138CC..THydrogen-bonded Turntrans103.6-9.1-17100000114.6T12 Y210 L236 L263T12-G238 WeakPolarHBondContact OG1-CA 3.46Å; T12-G238 PolarHBondContact OG1-N 2.9Å; Y210-G238 PolarHBondContact OH-O 2.71Å; L236-G238 PolarHBondContact O-N 3.46Å; G238-L263 WeakPolarHBondContact CA-O 3.09Å
239C98.5Very high98.5Very high0 Ų019.2 Ų19.20%012%0.12CC..SBendtrans-58.4153.1163.3-161.80000109.7T12 V222 L236 R241 L242 L263T12-C239 WeakPolarHBondContact CB-O 3.42Å; T12-C239 WeakPolarHBondContact CG2-O 3.46Å; T12-C239 PolarHBondContact OG1-N 3.04Å; T12-C239 PolarHBondContact OG1-O 3.3Å; V222-C239 PolarHBondContact O-SG 3.3Å; L236-C239 HydrophobicContact CB-CB 4.49Å; L236-C239 WeakPolarHBondContact O-CB 3.49Å; L236-C239 PolarHBondContact O-N 2.83Å; C239-R241 VanDerWaalsContact C-N 3.33Å; C239-R241 PolarHBondContact O-N 3.47Å; C239-L242 HydrophobicContact CB-CD2 3.96Å; C239-L242 HydrophobicContact CB-CG 4.43Å; C239-L263 HydrophobicContact CB-CD1 3.95Å
240D98.6Very high98.5Very high40 Ų4021.3 Ų21.321%0.21413%0.126CC..SBendtrans-60.2-46.1-173.7-57.5-45.5000111.1T13 K214 V221 V222T13-D240 PolarHBondContact N-O 3.39Å; K214-D240 WeakPolarHBondContact CE-OD1 3.37Å; K214-D240 IonicContact NZ-OD1 3.95Å; K214-D240 PolarHBondContact NZ-OD1 2.9Å; K214-D240 IonicContact NZ-OD2 3.99Å; K214-D240 PolarHBondContact NZ-OD2 2.66Å; V221-D240 HydrophobicContact CG1-CB 3.74Å; V222-D240 PolarHBondContact N-OD2 2.79Å; V222-D240 WeakPolarHBondContact O-CB 3.39Å
241R98.8Very high98.5Very high31 Ų3124.4 Ų24.412%0.11714%0.14CC..EExtended strand (participates in β ladder)trans-141.1158.6175.2-51.9-169.4177.8-163-17.9110.9T13 V15 D31 V221 V222 M223 G224 C239T13-R241 HydrophobicContact CG2-CG 4.32Å; T13-R241 VanDerWaalsContact O-CA 3.3Å; T13-R241 WeakPolarHBondContact O-CA 3.22Å; V15-R241 HydrophobicContact CG2-CB 4.2Å; D31-R241 IonicContact OD1-NH1 2.78Å; D31-R241 IonicContact OD2-CZ 3.59Å; D31-R241 IonicContact OD2-NE 3.98Å; D31-R241 IonicContact OD2-NH1 2.59Å; D31-R241 PolarHBondContact OD2-NH1 2.83Å; D31-R241 IonicContact OD2-NH2 3.07Å; V221-R241 HydrophobicContact CG1-CB 4.32Å; V221-R241 HydrophobicContact CG1-CG 3.54Å; V222-R241 PolarHBondContact O-N 3.34Å; V222-R241 VanDerWaalsContact O-N 3.11Å; M223-R241 VanDerWaalsContact CA-O 3.25Å; M223-R241 WeakPolarHBondContact CA-O 3.37Å; M223-R241 HydrophobicContact CB-CB 3.85Å; M223-R241 HydrophobicContact CG-CB 3.6Å; M223-R241 HydrophobicContact SD-CB 3.9Å; G224-R241 PolarHBondContact N-O 3.37Å; C239-R241 VanDerWaalsContact C-N 3.33Å; C239-R241 PolarHBondContact O-N 3.47Å
242L98.9Very high98.5Very high0 Ų023.8 Ų23.80%013%0.134CC..EExtended strand (participates in β ladder)trans-136.3127.6165.3-60.8170.4000108.2L8 T12 T13 V15 G224 F227 I233 L236 C239 I244L8-L242 HydrophobicContact CD1-CD1 4.26Å; L8-L242 HydrophobicContact CD2-CD1 4.45Å; T12-L242 HydrophobicContact CG2-CB 4.12Å; T12-L242 HydrophobicContact CG2-CD1 3.81Å; T12-L242 HydrophobicContact CG2-CG 3.62Å; T13-L242 PolarHBondContact O-N 3.17Å; T13-L242 VanDerWaalsContact O-N 3.1Å; V15-L242 PolarHBondContact N-O 3.01Å; G224-L242 WeakPolarHBondContact O-CA 3.23Å; F227-L242 HydrophobicContact CE1-CD2 4.49Å; F227-L242 HydrophobicContact CE2-CB 4.12Å; F227-L242 HydrophobicContact CE2-CD2 4.36Å; F227-L242 HydrophobicContact CZ-CB 4.24Å; F227-L242 HydrophobicContact CZ-CD2 3.62Å; F227-L242 HydrophobicContact CZ-CG 4.35Å; I233-L242 HydrophobicContact CG2-CD1 3.91Å; L236-L242 HydrophobicContact CB-CD1 4.28Å; L236-L242 HydrophobicContact CB-CD2 3.93Å; L236-L242 HydrophobicContact CD1-CD2 4.24Å; C239-L242 HydrophobicContact CB-CD2 3.96Å; C239-L242 HydrophobicContact CB-CG 4.43Å; L242-I244 HydrophobicContact CB-CD1 4.1Å; L242-I244 HydrophobicContact CB-CG1 4.06Å
243T98.8Very high98.4Very high3 Ų325.6 Ų25.62%0.01815%0.149CC..EExtended strand (participates in β ladder)trans-96.8117.9173-167.80000110.7V15 D17 T33 M223 G224 A225 F227V15-T243 WeakPolarHBondContact CG1-OG1 3.48Å; V15-T243 WeakPolarHBondContact O-CA 3.4Å; D17-T243 HydrophobicContact CB-CG2 4.39Å; D17-T243 WeakPolarHBondContact CB-OG1 3.34Å; D17-T243 PolarHBondContact N-OG1 3.43Å; T33-T243 HydrophobicContact CG2-CG2 4.33Å; T33-T243 PolarHBondContact OG1-OG1 3.18Å; M223-T243 HydrophobicContact CE-CG2 4.01Å; M223-T243 HydrophobicContact CG-CG2 4.3Å; M223-T243 HydrophobicContact SD-CG2 4.32Å; G224-T243 PolarHBondContact O-N 3.4Å; A225-T243 HydrophobicContact CB-CG2 3.46Å; A225-T243 VanDerWaalsContact CB-CG2 3.46Å; F227-T243 WeakPolarHBondContact CD2-O 3.17Å; F227-T243 VanDerWaalsContact CE2-O 3.31Å; F227-T243 WeakPolarHBondContact CE2-O 3.47Å
244I98.8Very high98.4Very high0 Ų032 Ų320%018%0.179CC..EExtended strand (participates in β ladder)trans-124.6130.7-161.9-54.7169.5000109.6L8 V14 V15 D17 F227 I233 L242 L248 L249 L252L8-I244 HydrophobicContact CD2-CD1 3.94Å; V14-I244 HydrophobicContact CG1-CD1 4.49Å; V15-I244 PolarHBondContact O-N 2.77Å; D17-I244 PolarHBondContact N-O 2.81Å; F227-I244 HydrophobicContact CD2-CG1 4.22Å; F227-I244 HydrophobicContact CE2-CG1 4.17Å; I233-I244 HydrophobicContact CD1-CD1 4.15Å; I233-I244 HydrophobicContact CD1-CG1 4.1Å; I233-I244 HydrophobicContact CD1-CG2 3.62Å; I233-I244 HydrophobicContact CG2-CD1 3.95Å; L242-I244 HydrophobicContact CB-CD1 4.1Å; L242-I244 HydrophobicContact CB-CG1 4.06Å; I244-L248 HydrophobicContact CG2-CB 3.61Å; I244-L249 HydrophobicContact CB-CD2 3.84Å; I244-L249 HydrophobicContact CB-CG 3.97Å; I244-L249 HydrophobicContact CD1-CD2 4.19Å; I244-L249 HydrophobicContact CG2-CD2 3.9Å; I244-L249 HydrophobicContact CG2-CG 3.78Å; I244-L252 HydrophobicContact CD1-CD1 4.2Å
245A98.2Very high98.3Very high37 Ų3731.8 Ų31.831%0.30618%0.18SC..  trans-67.2149.7177.100000111.5A247 L248 L249A245-A247 VanDerWaalsContact C-N 3.26Å; A245-A247 PolarHBondContact O-N 3.07Å; A245-A247 VanDerWaalsContact O-N 3.1Å; A245-L248 PolarHBondContact O-N 3.19Å; A245-L249 PolarHBondContact O-N 3.23Å
246P97.9Very high98.2Very high37 Ų3735.9 Ų35.924%0.2420%0.199CC..Hα-helixtrans-52.9-36.8-176.3-30.937.1000115.2T18 A23 L248 L249 K250T18-P246 HydrophobicContact CG2-CG 3.75Å; A23-P246 HydrophobicContact CB-CB 4.05Å; A23-P246 HydrophobicContact CB-CG 3.76Å; P246-L248 VanDerWaalsContact C-N 3.34Å; P246-L248 PolarHBondContact O-N 3.49Å; P246-L249 PolarHBondContact O-N 2.88Å; P246-K250 WeakPolarHBondContact O-CB 3.47Å; P246-K250 PolarHBondContact O-N 2.66Å
247A98Very high98Very high74 Ų7437.1 Ų37.161%0.61221%0.212SC*.Hα-helixtrans-62.2-39.9178.300000112.6A245 K250 E251A245-A247 VanDerWaalsContact C-N 3.26Å; A245-A247 PolarHBondContact O-N 3.07Å; A245-A247 VanDerWaalsContact O-N 3.1Å; A247-K250 WeakPolarHBondContact O-CB 3.38Å; A247-K250 PolarHBondContact O-N 2.92Å; A247-E251 PolarHBondContact O-N 3.13Å; A247-E251 VanDerWaalsContact O-N 3.11Å
248L98.6Very high97.8Very high15 Ų1541.5 Ų41.58%0.07925%0.248CC..Hα-helixtrans-79.7-32.2179-62.5176.8000111.7F227 I230 I233 I244 A245 P246 K250 E251 L252F227-L248 HydrophobicContact CB-CD1 3.49Å; F227-L248 VanDerWaalsContact CB-CD1 3.49Å; I230-L248 HydrophobicContact CG2-CB 4.49Å; I230-L248 HydrophobicContact CG2-CD2 4.14Å; I233-L248 HydrophobicContact CD1-CB 3.97Å; I233-L248 HydrophobicContact CD1-CD1 4.02Å; I244-L248 HydrophobicContact CG2-CB 3.61Å; A245-L248 PolarHBondContact O-N 3.19Å; P246-L248 VanDerWaalsContact C-N 3.34Å; P246-L248 PolarHBondContact O-N 3.49Å; L248-K250 VanDerWaalsContact C-N 3.29Å; L248-K250 PolarHBondContact O-N 3.1Å; L248-E251 PolarHBondContact O-N 3.47Å; L248-L252 WeakPolarHBondContact O-CB 3.34Å; L248-L252 VanDerWaalsContact O-CG 3.3Å; L248-L252 WeakPolarHBondContact O-CG 3.47Å; L248-L252 PolarHBondContact O-N 3.04Å
249L98.5Very high97.6Very high0 Ų042 Ų420%025%0.25CS..Hα-helixtrans-59.5-43168.9-72.4173.4000111L5 V14 A16 Y27 I244 A245 P246 L252 A253L5-L249 HydrophobicContact CD1-CD2 3.77Å; L5-L249 HydrophobicContact CD2-CD2 4.38Å; V14-L249 HydrophobicContact CG1-CD2 3.75Å; A16-L249 HydrophobicContact CB-CD1 4.21Å; Y27-L249 HydrophobicContact CD1-CB 3.96Å; Y27-L249 HydrophobicContact CD2-CB 3.77Å; Y27-L249 HydrophobicContact CD2-CD1 3.77Å; Y27-L249 HydrophobicContact CD2-CG 4.41Å; Y27-L249 HydrophobicContact CE1-CB 4.13Å; Y27-L249 HydrophobicContact CE2-CB 3.94Å; Y27-L249 HydrophobicContact CG-CB 3.8Å; Y27-L249 HydrophobicContact CG-CD1 3.99Å; Y27-L249 HydrophobicContact CG-CG 4.43Å; I244-L249 HydrophobicContact CB-CD2 3.84Å; I244-L249 HydrophobicContact CB-CG 3.97Å; I244-L249 HydrophobicContact CD1-CD2 4.19Å; I244-L249 HydrophobicContact CG2-CD2 3.9Å; I244-L249 HydrophobicContact CG2-CG 3.78Å; A245-L249 PolarHBondContact O-N 3.23Å; P246-L249 PolarHBondContact O-N 2.88Å; L249-L252 PolarHBondContact O-N 3.32Å; L249-A253 WeakPolarHBondContact O-CB 3.34Å; L249-A253 PolarHBondContact O-N 3.49Å
250K98.2Very high97.5Very high100 Ų10048 Ų4844%0.43528%0.278SS..Hα-helixtrans-58.1-53.1174-169.9-178.7169.3-175.90111.4Y27 P246 A247 L248 L252 A253 E254Y27-K250 VanDerWaalsContact OH-CA 3.3Å; Y27-K250 WeakPolarHBondContact OH-CA 3.47Å; Y27-K250 WeakPolarHBondContact OH-CB 3.22Å; Y27-K250 WeakPolarHBondContact OH-CG 3.22Å; P246-K250 WeakPolarHBondContact O-CB 3.47Å; P246-K250 PolarHBondContact O-N 2.66Å; A247-K250 WeakPolarHBondContact O-CB 3.38Å; A247-K250 PolarHBondContact O-N 2.92Å; L248-K250 VanDerWaalsContact C-N 3.29Å; L248-K250 PolarHBondContact O-N 3.1Å; K250-L252 VanDerWaalsContact C-N 3.29Å; K250-L252 PolarHBondContact O-N 2.89Å; K250-A253 PolarHBondContact O-N 3.38Å; K250-A253 VanDerWaalsContact O-N 3.08Å; K250-E254 WeakPolarHBondContact CE-OE1 3.22Å; K250-E254 WeakPolarHBondContact CE-OE2 3.42Å; K250-E254 HydrophobicContact CG-CG 4.39Å; K250-E254 IonicContact NZ-OE1 3.07Å; K250-E254 WeakPolarHBondContact O-CB 3.21Å; K250-E254 WeakPolarHBondContact O-CG 3.23Å; K250-E254 PolarHBondContact O-N 3.36Å
251E98.4Very high97.5Very high83 Ų8351.9 Ų51.939%0.38829%0.29SS..Hα-helixtrans-59.9-39.7-177.8-168.9-177.4161.100112.1I230 A247 L248 E254 S255I230-E251 HydrophobicContact CD1-CG 4.15Å; I230-E251 WeakPolarHBondContact CD1-OE1 3.44Å; I230-E251 WeakPolarHBondContact CG1-OE1 3.5Å; I230-E251 HydrophobicContact CG2-CB 3.87Å; I230-E251 HydrophobicContact CG2-CG 3.85Å; A247-E251 PolarHBondContact O-N 3.13Å; A247-E251 VanDerWaalsContact O-N 3.11Å; L248-E251 PolarHBondContact O-N 3.47Å; E251-E254 PolarHBondContact O-N 2.9Å; E251-S255 VanDerWaalsContact O-CB 3.27Å; E251-S255 WeakPolarHBondContact O-CB 3.43Å; E251-S255 PolarHBondContact O-N 3.4Å; E251-S255 PolarHBondContact O-OG 2.94Å
252L98.3Very high97.5Very high0 Ų053.9 Ų53.90%030%0.299CS..Hα-helixtrans-65.7-40173.9-71.7165.8000112.7K4 L5 L8 I230 I233 L234 I244 L248 L249 K250 E254 S255K4-L252 HydrophobicContact CB-CD2 4.08Å; K4-L252 PolarHBondContact N-O 2.85Å; L5-L252 HydrophobicContact CB-CB 3.78Å; L5-L252 HydrophobicContact CD1-CD1 4.4Å; L5-L252 PolarHBondContact N-O 2.92Å; L8-L252 HydrophobicContact CD2-CD1 4.35Å; I230-L252 HydrophobicContact CB-CD2 3.95Å; I230-L252 HydrophobicContact CB-CG 4.33Å; I230-L252 HydrophobicContact CG2-CD2 3.96Å; I230-L252 HydrophobicContact CG2-CG 3.78Å; I233-L252 HydrophobicContact CD1-CD1 4.05Å; I233-L252 HydrophobicContact CG2-CD1 3.95Å; L234-L252 HydrophobicContact CD2-CD2 4.14Å; I244-L252 HydrophobicContact CD1-CD1 4.2Å; L248-L252 WeakPolarHBondContact O-CB 3.34Å; L248-L252 VanDerWaalsContact O-CG 3.3Å; L248-L252 WeakPolarHBondContact O-CG 3.47Å; L248-L252 PolarHBondContact O-N 3.04Å; L249-L252 PolarHBondContact O-N 3.32Å; K250-L252 VanDerWaalsContact C-N 3.29Å; K250-L252 PolarHBondContact O-N 2.89Å; L252-E254 VanDerWaalsContact C-N 3.32Å; L252-S255 PolarHBondContact O-N 3.43Å
253A97.5Very high97.4Very high38 Ų3854.4 Ų54.431%0.31430%0.302SS..Hα-helixtrans-71.4-27.817900000112.8D3 L5 Y27 L249 K250D3-A253 WeakPolarHBondContact CB-O 3.3Å; L5-A253 HydrophobicContact CB-CB 4.31Å; L5-A253 HydrophobicContact CD2-CB 4.05Å; Y27-A253 HydrophobicContact CE1-CB 4.25Å; L249-A253 WeakPolarHBondContact O-CB 3.34Å; L249-A253 PolarHBondContact O-N 3.49Å; K250-A253 PolarHBondContact O-N 3.38Å; K250-A253 VanDerWaalsContact O-N 3.08Å
254E97.4Very high97.4Very high136 Ų13656.9 Ų56.964%0.63632%0.319SS*.Hα-helixtrans-90.2-8177-68.5177.3167.600112.8K250 E251 L252K250-E254 WeakPolarHBondContact CE-OE1 3.22Å; K250-E254 WeakPolarHBondContact CE-OE2 3.42Å; K250-E254 HydrophobicContact CG-CG 4.39Å; K250-E254 IonicContact NZ-OE1 3.07Å; K250-E254 WeakPolarHBondContact O-CB 3.21Å; K250-E254 WeakPolarHBondContact O-CG 3.23Å; K250-E254 PolarHBondContact O-N 3.36Å; E251-E254 PolarHBondContact O-N 2.9Å; L252-E254 VanDerWaalsContact C-N 3.32Å
255S97.2Very high97.3Very high28 Ų2859.5 Ų59.520%0.19633%0.33CS..SBendtrans-94.7120.1177.1-67.20000111.4D3 K4 E251 L252D3-S255 CarbonylContact C-O 3.48Å; D3-S255 WeakPolarHBondContact CA-O 3.4Å; K4-S255 WeakPolarHBondContact CG-O 3.35Å; K4-S255 PolarHBondContact N-O 3.47Å; E251-S255 VanDerWaalsContact O-CB 3.27Å; E251-S255 WeakPolarHBondContact O-CB 3.43Å; E251-S255 PolarHBondContact O-N 3.4Å; E251-S255 PolarHBondContact O-OG 2.94Å; L252-S255 PolarHBondContact O-N 3.43Å
256E96.3Very high97.1Very high130 Ų13064.2 Ų64.261%0.60736%0.355SS*.BIsolated β-bridgetrans-75148.8175-62.4-171.2148.300112.3M1 K4M1-E256 HydrophobicContact SD-CB 3.99Å; M1-E256 HydrophobicContact SD-CG 4.28Å; K4-E256 WeakPolarHBondContact CE-O 3.47Å
257G93.7Very high97Very high26 Ų2664.4 Ų64.427%0.26836%0.364SS..SBendtrans126.6152.1166.400000114.2T2 K4T2-G257 PolarHBondContact O-N 3.05Å; K4-G257 WeakPolarHBondContact CG-O 3.24Å
258A93.9Very high97Very high91 Ų9169 Ų6975%0.75237%0.373SS*.  trans-69.6148.8167.500000110.1
259I95.6Very high96.9Very high14 Ų1473 Ų737%0.07240%0.398CS..  trans-106.8150.517378.9167.4000110.4K4 S7 L8 Y11 L234 A237K4-I259 HydrophobicContact CB-CG2 3.9Å; K4-I259 HydrophobicContact CD-CG2 4.34Å; K4-I259 HydrophobicContact CG-CG2 3.85Å; S7-I259 PolarHBondContact OG-N 2.91Å; L8-I259 HydrophobicContact CB-CD1 3.73Å; L8-I259 HydrophobicContact CD1-CD1 3.53Å; L8-I259 HydrophobicContact CG-CD1 4.25Å; Y11-I259 HydrophobicContact CD2-CD1 4.3Å; Y11-I259 HydrophobicContact CD2-CG1 4.03Å; Y11-I259 HydrophobicContact CE2-CG1 3.93Å; Y11-I259 WeakPolarHBondContact CE2-O 3.25Å; L234-I259 HydrophobicContact CD2-CB 4.1Å; L234-I259 HydrophobicContact CD2-CD1 4.26Å; L234-I259 HydrophobicContact CD2-CG2 3.46Å; L234-I259 VanDerWaalsContact CD2-CG2 3.46Å; A237-I259 HydrophobicContact CB-CD1 3.51Å; A237-I259 HydrophobicContact CB-CG1 4.39Å
260E96.2Very high96.9Very high126 Ų12678.5 Ų78.559%0.58942%0.421SS*.  trans-81.9138.1172.3-174.5-173.9178.700109.8A237 K262A237-E260 WeakPolarHBondContact CB-O 3.23Å; E260-K262 HydrophobicContact CG-CD 4.37Å; E260-K262 PolarHBondContact O-N 3.05Å; E260-K262 WeakPolarHBondContact OE2-CE 3.45Å; E260-K262 IonicContact OE2-NZ 2.66Å; E260-K262 PolarHBondContact OE2-NZ 3.48Å
261R98.1Very high96.9Very high120 Ų12078 Ų7845%0.45344%0.436SS..  trans-75.8113.4167.3-175-177.1-177.7170.66.2109.1Y11 L263Y11-R261 HydrophobicContact CD1-CB 3.85Å; Y11-R261 HydrophobicContact CD1-CG 4.05Å; Y11-R261 HydrophobicContact CD2-CB 4.13Å; Y11-R261 HydrophobicContact CE1-CB 4Å; Y11-R261 HydrophobicContact CE2-CB 4.28Å; Y11-R261 HydrophobicContact CG-CB 3.9Å; Y11-R261 HydrophobicContact CG-CG 4.05Å; R261-L263 PolarHBondContact NE-O 3.39Å
262K98.2Very high96.8Very high74 Ų7480.9 Ų80.932%0.32244%0.443SS..  trans-91.2-42.3-178-63.2-68-164.2-179.30112.9L234 E235 A237 E260L234-K262 WeakPolarHBondContact O-CG 3.3Å; E235-K262 WeakPolarHBondContact O-CB 3.48Å; E235-K262 WeakPolarHBondContact OE1-CE 3.33Å; E235-K262 IonicContact OE1-NZ 2.67Å; E235-K262 WeakPolarHBondContact OE2-CE 3.48Å; E235-K262 IonicContact OE2-NZ 3.96Å; A237-K262 PolarHBondContact O-N 3.41Å; E260-K262 HydrophobicContact CG-CD 4.37Å; E260-K262 PolarHBondContact O-N 3.05Å; E260-K262 WeakPolarHBondContact OE2-CE 3.45Å; E260-K262 IonicContact OE2-NZ 2.66Å; E260-K262 PolarHBondContact OE2-NZ 3.48Å
263L98.3Very high96.7Very high10 Ų1083.2 Ų83.25%0.05246%0.459CS..  trans-96.4117.4179.3-58.4-168.8000111Y210 L236 A237 G238 C239 R261Y210-L263 HydrophobicContact CD1-CB 4.07Å; Y210-L263 HydrophobicContact CD1-CD1 4.24Å; Y210-L263 HydrophobicContact CD2-CD1 4.41Å; Y210-L263 HydrophobicContact CE1-CB 3.96Å; Y210-L263 HydrophobicContact CG-CD1 4Å; L236-L263 HydrophobicContact CD2-CD1 3.91Å; A237-L263 PolarHBondContact O-N 3.12Å; G238-L263 WeakPolarHBondContact CA-O 3.09Å; C239-L263 HydrophobicContact CB-CD1 3.95Å; R261-L263 PolarHBondContact NE-O 3.39Å
264S97.7Very high96.7Very high55 Ų5585.3 Ų85.339%0.38548%0.476SS..  trans-150.9148.6166.763.60000108Q211Q211-S264 PolarHBondContact NE2-O 2.64Å; Q211-S264 VanDerWaalsContact NE2-O 3.12Å
265Y97Very high96.8Very high55 Ų5584.7 Ų84.722%0.21647%0.468CS..  trans-120.5122.9172.5-177-105.3000108.6K214 E215 G267 E268K214-Y265 VanDerWaalsContact CB-CB 3.44Å; K214-Y265 HydrophobicContact CB-CD1 3.58Å; K214-Y265 HydrophobicContact CB-CD2 4.37Å; K214-Y265 HydrophobicContact CB-CE1 4.43Å; K214-Y265 HydrophobicContact CB-CG 3.53Å; E215-Y265 VanDerWaalsContact CA-CZ 3.42Å; E215-Y265 WeakPolarHBondContact CA-OH 3.4Å; E215-Y265 HydrophobicContact CB-CE1 4.39Å; E215-Y265 HydrophobicContact CB-CE2 3.9Å; E215-Y265 WeakPolarHBondContact CB-OH 3.3Å; E215-Y265 WeakPolarHBondContact CG-OH 3.42Å; Y265-G267 VanDerWaalsContact CE1-O 3.27Å; Y265-G267 WeakPolarHBondContact CE1-O 3.14Å; Y265-E268 PolarHBondContact OH-O 2.73Å
266T94.9Very high96.8Very high136 Ų13683.8 Ų83.883%0.83446%0.461SS*.  trans-123.76.3-179.155.40000112.2
267G95.3Very high97Very high42 Ų4281 Ų8143%0.43345%0.453SS..SBendtrans-78.2177.6177.700000113.2Y265Y265-G267 VanDerWaalsContact CE1-O 3.27Å; Y265-G267 WeakPolarHBondContact CE1-O 3.14Å
268E96.8Very high97.2Very high170 Ų17084.1 Ų84.179%0.79446%0.46SS*.PPolyproline II helixtrans-76.6133.7175.4-65.4-177.5171.300111.4Y265 K270Y265-E268 PolarHBondContact OH-O 2.73Å; E268-K270 PolarHBondContact O-N 3.19Å
269V97.9Very high97.4Very high100 Ų10084.1 Ų84.161%0.60646%0.455SS*.PPolyproline II helixtrans-67.6119.8171.8179.80000109.6E215E215-V269 CarbonylContact O-C 3.56Å; E215-V269 WeakPolarHBondContact O-CA 3.44Å
270K97.6Very high97.6Very high114 Ų11487.4 Ų87.450%0.49647%0.47SS..PPolyproline II helixtrans-90158.5178.1-61.9-179.4-176164.70111.3E215 E268 R272E215-K270 HydrophobicContact CG-CB 4.33Å; E215-K270 HydrophobicContact CG-CD 3.75Å; E215-K270 HydrophobicContact CG-CG 4.03Å; E215-K270 PolarHBondContact O-N 2.96Å; E215-K270 VanDerWaalsContact OE1-CE 3.22Å; E215-K270 WeakPolarHBondContact OE1-CE 3.49Å; E215-K270 IonicContact OE1-NZ 3.64Å; E215-K270 PolarHBondContact OE1-NZ 3.4Å; E215-K270 IonicContact OE2-NZ 3.76Å; E268-K270 PolarHBondContact O-N 3.19Å; K270-R272 PolarHBondContact O-N 3.49Å
271A97.7Very high97.7Very high91 Ų9181.7 Ų81.775%0.75244%0.443SS*.PPolyproline II helixtrans-62.8135.3171.400000110.6H216H216-A271 PolarHBondContact CD2-O 2.91Å
272R97.7Very high97.7Very high142 Ų14279.5 Ų79.554%0.53644%0.44SS..PPolyproline II helixtrans-59.3138.5175.6-66.2174.8-176.2172.32.3110.4H216 G217 Y218 K270H216-R272 HydrophobicContact CB-CG 4.16Å; H216-R272 VanDerWaalsContact O-CG 3.23Å; H216-R272 WeakPolarHBondContact O-CG 3.42Å; H216-R272 PolarHBondContact O-NE 2.95Å; G217-R272 PolarHBondContact O-NH2 3.21Å; Y218-R272 HydrophobicContact CE1-CG 4.08Å; Y218-R272 HydrophobicContact CE2-CG 4.4Å; K270-R272 PolarHBondContact O-N 3.49Å
273P96.5Very high97.7Very high49 Ų4984.2 Ų84.232%0.31846%0.456SS..PPolyproline II helixtrans-66170.6173.330.2-35.8000111Y212Y212-P273 VanDerWaalsContact OH-CG 3.3Å; Y212-P273 WeakPolarHBondContact OH-CG 3.38Å
274A97.6Very high97.8Very high82 Ų8287 Ų8768%0.67847%0.469SS*.PPolyproline II helixtrans-56.3147.4168.400000110.4R165R165-A274 PolarHBondContact NH2-O 3.49Å
275R98.2Very high97.8Very high124 Ų12485 Ų8547%0.46845%0.453SS..PPolyproline II helixtrans-62.9140178.8-66.7-17974.4122.3-2.5110.8E144 E169E144-R275 IonicContact OE1-CZ 2.81Å; E144-R275 IonicContact OE1-NH1 3.69Å; E144-R275 IonicContact OE1-NH2 3.66Å; E144-R275 PolarHBondContact OE1-NH2 3.46Å; E144-R275 IonicContact OE2-NH2 2.69Å; E169-R275 VanDerWaalsContact C-NH2 3.35Å; E169-R275 HydrophobicContact CB-CG 4.45Å; E169-R275 HydrophobicContact CG-CG 4.49Å; E169-R275 PolarHBondContact O-NH1 3.2Å; E169-R275 PolarHBondContact O-NH2 3.05Å; E169-R275 VanDerWaalsContact OE2-CA 3.3Å; E169-R275 WeakPolarHBondContact OE2-CA 3.46Å
276I98.4Very high97.9Very high9 Ų986.7 Ų86.75%0.04647%0.466CS..PPolyproline II helixtrans-66.9132.9174.5-160171.1000109.9W137 A166 E169 E280 F281W137-I276 HydrophobicContact CZ3-CG2 4.45Å; A166-I276 HydrophobicContact CB-CG2 3.85Å; E169-I276 PolarHBondContact OE1-N 3.46Å; E169-I276 WeakPolarHBondContact OE2-CG2 3.38Å; E169-I276 PolarHBondContact OE2-N 3.41Å; I276-E280 HydrophobicContact CD1-CB 4.18Å; I276-E280 HydrophobicContact CG1-CB 3.55Å; I276-F281 HydrophobicContact CD1-CB 4.05Å; I276-F281 HydrophobicContact CG1-CB 4.32Å
277T98.6Very high98Very high72 Ų7285.9 Ų85.944%0.44245%0.453SS..PPolyproline II helixtrans-79.4163.9171.962.10000110.9S279 E280 F281T277-S279 VanDerWaalsContact C-N 3.3Å; T277-S279 PolarHBondContact O-N 2.69Å; T277-E280 WeakPolarHBondContact CB-OE2 3.21Å; T277-E280 WeakPolarHBondContact CG2-OE2 3.23Å; T277-E280 PolarHBondContact N-OE2 3.3Å; T277-E280 PolarHBondContact O-N 3.35Å; T277-E280 WeakPolarHBondContact OG1-CB 3.46Å; T277-E280 VanDerWaalsContact OG1-CD 3.28Å; T277-E280 VanDerWaalsContact OG1-CG 3.23Å; T277-E280 WeakPolarHBondContact OG1-CG 3.3Å; T277-E280 PolarHBondContact OG1-N 3.32Å; T277-E280 PolarHBondContact OG1-OE2 3.07Å; T277-F281 WeakPolarHBondContact O-CB 3.27Å; T277-F281 PolarHBondContact O-N 3.34Å
278E98.7Very high98.2Very high90 Ų9085.9 Ų85.942%0.42144%0.443SS..Hα-helixtrans-56.8-45.2174.4-177.5167.1-175.200111.7W137 E280 F281 L282W137-E278 VanDerWaalsContact CD1-OE1 3.31Å; W137-E278 HydrophobicContact CD2-CB 4.13Å; W137-E278 HydrophobicContact CD2-CG 3.95Å; W137-E278 HydrophobicContact CG-CG 4.01Å; W137-E278 HydrophobicContact CH2-CB 4.1Å; W137-E278 HydrophobicContact CZ2-CB 3.52Å; W137-E278 HydrophobicContact CZ2-CG 4.2Å; W137-E278 PolarHBondContact NE1-OE2 2.82Å; E278-E280 PolarHBondContact O-N 3.01Å; E278-F281 PolarHBondContact O-N 3.37Å; E278-L282 HydrophobicContact CG-CD1 3.86Å; E278-L282 HydrophobicContact CG-CG 4.28Å; E278-L282 WeakPolarHBondContact O-CB 3.24Å; E278-L282 VanDerWaalsContact O-CG 3.26Å; E278-L282 WeakPolarHBondContact O-CG 3.26Å; E278-L282 PolarHBondContact O-N 3.14Å
279S98.6Very high98.2Very high92 Ų9281.4 Ų81.464%0.64343%0.429SS*.Hα-helixtrans-63.3-40.9-179.8-56.20000112.3T277 W283T277-S279 VanDerWaalsContact C-N 3.3Å; T277-S279 PolarHBondContact O-N 2.69Å; S279-W283 VanDerWaalsContact O-CB 3.24Å; S279-W283 WeakPolarHBondContact O-CB 3.41Å; S279-W283 PolarHBondContact O-N 2.79Å
280E98.8Very high98.3Very high83 Ų8376.9 Ų76.939%0.38840%0.401SS..Hα-helixtrans-68.3-41.6175.8-71.6165.8139.200111.9I276 T277 E278 W283 Q284I276-E280 HydrophobicContact CD1-CB 4.18Å; I276-E280 HydrophobicContact CG1-CB 3.55Å; T277-E280 WeakPolarHBondContact CB-OE2 3.21Å; T277-E280 WeakPolarHBondContact CG2-OE2 3.23Å; T277-E280 PolarHBondContact N-OE2 3.3Å; T277-E280 PolarHBondContact O-N 3.35Å; T277-E280 WeakPolarHBondContact OG1-CB 3.46Å; T277-E280 VanDerWaalsContact OG1-CD 3.28Å; T277-E280 VanDerWaalsContact OG1-CG 3.23Å; T277-E280 WeakPolarHBondContact OG1-CG 3.3Å; T277-E280 PolarHBondContact OG1-N 3.32Å; T277-E280 PolarHBondContact OG1-OE2 3.07Å; E278-E280 PolarHBondContact O-N 3.01Å; E280-W283 PolarHBondContact O-N 3.46Å; E280-Q284 VanDerWaalsContact O-CB 3.31Å; E280-Q284 WeakPolarHBondContact O-CB 3.25Å; E280-Q284 VanDerWaalsContact O-CG 3.25Å; E280-Q284 WeakPolarHBondContact O-CG 3.32Å; E280-Q284 PolarHBondContact O-N 3.28Å
281F98.8Very high98.3Very high5 Ų571.5 Ų71.52%0.02238%0.377CS..Hα-helixtrans-58-52.1175.1166.5-92.2000110.7W137 I140 A162 Q163 A166 I276 T277 E278 W283 Q284 H285W137-F281 HydrophobicContact CB-CD1 3.93Å; W137-F281 HydrophobicContact CB-CE1 3.71Å; W137-F281 HydrophobicContact CD2-CD1 4.29Å; W137-F281 HydrophobicContact CE3-CB 3.8Å; W137-F281 AromaticContact CE3-CD1 3.67Å; W137-F281 HydrophobicContact CE3-CD1 3.67Å; W137-F281 HydrophobicContact CE3-CD2 4.2Å; W137-F281 HydrophobicContact CE3-CE1 4.35Å; W137-F281 AromaticContact CE3-CG 3.6Å; W137-F281 HydrophobicContact CE3-CG 3.6Å; W137-F281 HydrophobicContact CG-CD1 4.43Å; W137-F281 HydrophobicContact CZ3-CB 3.82Å; W137-F281 HydrophobicContact CZ3-CG 4.07Å; I140-F281 HydrophobicContact CD1-CE2 4.08Å; I140-F281 HydrophobicContact CD1-CZ 4.41Å; A162-F281 HydrophobicContact CB-CD2 4.2Å; Q163-F281 HydrophobicContact CB-CE2 4.37Å; Q163-F281 HydrophobicContact CG-CE2 3.86Å; Q163-F281 HydrophobicContact CG-CZ 4.07Å; A166-F281 HydrophobicContact CB-CD2 3.85Å; A166-F281 HydrophobicContact CB-CE2 4.25Å; I276-F281 HydrophobicContact CD1-CB 4.05Å; I276-F281 HydrophobicContact CG1-CB 4.32Å; T277-F281 WeakPolarHBondContact O-CB 3.27Å; T277-F281 PolarHBondContact O-N 3.34Å; E278-F281 PolarHBondContact O-N 3.37Å; F281-W283 PolarHBondContact O-N 3.11Å; F281-Q284 PolarHBondContact O-N 3.45Å; F281-H285 VanDerWaalsContact O-CB 3.3Å; F281-H285 WeakPolarHBondContact O-CB 3.31Å; F281-H285 PolarHBondContact O-N 2.74Å
282L98.7Very high98.4Very high74 Ų7469.3 Ų69.339%0.38736%0.355SS..Hα-helixtrans-61.7-45.8179.9-69.9173.8000110.4E278 N286E278-L282 HydrophobicContact CG-CD1 3.86Å; E278-L282 HydrophobicContact CG-CG 4.28Å; E278-L282 WeakPolarHBondContact O-CB 3.24Å; E278-L282 VanDerWaalsContact O-CG 3.26Å; E278-L282 WeakPolarHBondContact O-CG 3.26Å; E278-L282 PolarHBondContact O-N 3.14Å; L282-N286 VanDerWaalsContact O-CB 3.27Å; L282-N286 WeakPolarHBondContact O-CB 3.27Å; L282-N286 PolarHBondContact O-N 2.99Å; L282-N286 PolarHBondContact O-ND2 3.3Å
283W98.6Very high98.4Very high174 Ų17466.3 Ų66.366%0.65935%0.349SS*.Hα-helixtrans-60.1-53.7178.1-178.2-108.6000111.8S279 E280 F281 H285 N286 Q287S279-W283 VanDerWaalsContact O-CB 3.24Å; S279-W283 WeakPolarHBondContact O-CB 3.41Å; S279-W283 PolarHBondContact O-N 2.79Å; E280-W283 PolarHBondContact O-N 3.46Å; F281-W283 PolarHBondContact O-N 3.11Å; W283-H285 PolarHBondContact O-N 2.93Å; W283-N286 PolarHBondContact O-N 3.36Å; W283-Q287 VanDerWaalsContact CZ2-NE2 3.26Å; W283-Q287 WeakPolarHBondContact O-CG 3.43Å; W283-Q287 PolarHBondContact O-N 2.79Å; W283-Q287 VanDerWaalsContact O-N 3.08Å
284Q98.7Very high98.5Very high69 Ų6964.9 Ų64.932%0.32234%0.338SS..Hα-helixtrans-64.7-39.6-176.8-69.7173.429.200112.6A162 E280 F281 Q287A162-Q284 HydrophobicContact CB-CB 3.75Å; E280-Q284 VanDerWaalsContact O-CB 3.31Å; E280-Q284 WeakPolarHBondContact O-CB 3.25Å; E280-Q284 VanDerWaalsContact O-CG 3.25Å; E280-Q284 WeakPolarHBondContact O-CG 3.32Å; E280-Q284 PolarHBondContact O-N 3.28Å; F281-Q284 PolarHBondContact O-N 3.45Å; Q284-Q287 PolarHBondContact O-N 3.46Å
285H98.7Very high98.6Very high12 Ų1261.4 Ų61.46%0.05631%0.308CS..Hα-helixtrans-65.4-40.9174.7-179.979.1000111.6S160 A162 F281 W283 Q287 D288S160-H285 PolarHBondContact OG-ND1 3Å; A162-H285 HydrophobicContact CB-CB 4.3Å; F281-H285 VanDerWaalsContact O-CB 3.3Å; F281-H285 WeakPolarHBondContact O-CB 3.31Å; F281-H285 PolarHBondContact O-N 2.74Å; W283-H285 PolarHBondContact O-N 2.93Å; H285-Q287 VanDerWaalsContact C-N 3.27Å; H285-Q287 PolarHBondContact O-N 2.91Å; H285-D288 PolarHBondContact O-N 2.87Å
286N98.4Very high98.6Very high90 Ų9056.9 Ų56.948%0.48130%0.297SS..Hα-helixtrans-74.7-11.8-179.9-78.5-86.9000114.3L282 W283 D288 V292L282-N286 VanDerWaalsContact O-CB 3.27Å; L282-N286 WeakPolarHBondContact O-CB 3.27Å; L282-N286 PolarHBondContact O-N 2.99Å; L282-N286 PolarHBondContact O-ND2 3.3Å; W283-N286 PolarHBondContact O-N 3.36Å; N286-D288 PolarHBondContact O-N 2.86Å; N286-V292 HydrophobicContact CB-CG2 4.44Å
287Q98.3Very high98.6Very high119 Ų11958.5 Ų58.556%0.55630%0.304SS*.THydrogen-bonded Turntrans-73.2-12.7169.8-70.5-62.2-65.600112.9W283 Q284 H285 P289W283-Q287 VanDerWaalsContact CZ2-NE2 3.26Å; W283-Q287 WeakPolarHBondContact O-CG 3.43Å; W283-Q287 PolarHBondContact O-N 2.79Å; W283-Q287 VanDerWaalsContact O-N 3.08Å; Q284-Q287 PolarHBondContact O-N 3.46Å; H285-Q287 VanDerWaalsContact C-N 3.27Å; H285-Q287 PolarHBondContact O-N 2.91Å; Q287-P289 WeakPolarHBondContact O-CD 3.36Å
288D98.1Very high98.6Very high42 Ų4255.1 Ų55.123%0.22528%0.283CS..  trans-110.398.5179.1-176.6-12.5000110.2H285 N286 M290 A291 V292H285-D288 PolarHBondContact O-N 2.87Å; N286-D288 PolarHBondContact O-N 2.86Å; D288-M290 PolarHBondContact O-N 3.48Å; D288-M290 VanDerWaalsContact OD1-CB 3.26Å; D288-M290 WeakPolarHBondContact OD1-CB 3.29Å; D288-M290 PolarHBondContact OD1-N 3.42Å; D288-A291 HydrophobicContact CB-CB 3.88Å; D288-A291 PolarHBondContact O-N 2.99Å; D288-A291 VanDerWaalsContact O-N 3.12Å; D288-A291 PolarHBondContact OD1-N 3.34Å; D288-V292 PolarHBondContact O-N 3.2Å; D288-V292 VanDerWaalsContact O-N 3.13Å
289P98.3Very high98.6Very high77 Ų7751.4 Ų51.450%0.527%0.266SS..Hα-helixtrans-57.3-34178.9-25.634.8000113.3W185 Q287 D293W185-P289 HydrophobicContact CH2-CB 4.33Å; W185-P289 HydrophobicContact CZ2-CB 4.01Å; Q287-P289 WeakPolarHBondContact O-CD 3.36Å; P289-D293 WeakPolarHBondContact O-CB 3.31Å; P289-D293 VanDerWaalsContact O-CG 3.29Å; P289-D293 PolarHBondContact O-N 3.49Å
290M98.5Very high98.6Very high5 Ų554.4 Ų54.43%0.02526%0.264CS..Hα-helixtrans-62.9-47.2177.5177.4-79.8-56.900110.6F159 I182 W185 Y186 D288 V292 D293 K294F159-M290 HydrophobicContact CB-CE 4.45Å; F159-M290 HydrophobicContact CB-SD 4.13Å; F159-M290 HydrophobicContact CD1-SD 4.46Å; F159-M290 VanDerWaalsContact O-CE 3.32Å; F159-M290 WeakPolarHBondContact O-CE 3.48Å; I182-M290 HydrophobicContact CB-CE 4.43Å; I182-M290 HydrophobicContact CB-SD 4.14Å; I182-M290 HydrophobicContact CD1-CE 4.45Å; I182-M290 HydrophobicContact CG1-CE 3.92Å; I182-M290 HydrophobicContact CG1-SD 3.71Å; I182-M290 HydrophobicContact CG2-CE 3.86Å; I182-M290 HydrophobicContact CG2-SD 4.04Å; W185-M290 HydrophobicContact CB-CB 4.44Å; W185-M290 HydrophobicContact CB-CG 3.52Å; W185-M290 HydrophobicContact CD2-CB 3.47Å; W185-M290 VanDerWaalsContact CD2-CB 3.47Å; W185-M290 HydrophobicContact CD2-CG 3.56Å; W185-M290 VanDerWaalsContact CE2-CA 3.49Å; W185-M290 HydrophobicContact CE3-CB 3.52Å; W185-M290 HydrophobicContact CE3-CG 3.71Å; W185-M290 HydrophobicContact CG-CB 3.9Å; W185-M290 HydrophobicContact CG-CG 3.48Å; W185-M290 VanDerWaalsContact CG-CG 3.48Å; W185-M290 HydrophobicContact CH2-CB 4.26Å; W185-M290 HydrophobicContact CZ2-CB 4.22Å; W185-M290 HydrophobicContact CZ3-CB 3.93Å; Y186-M290 HydrophobicContact CD2-CG 4.35Å; Y186-M290 HydrophobicContact CE2-CB 4.39Å; Y186-M290 HydrophobicContact CE2-CE 4.45Å; Y186-M290 HydrophobicContact CE2-CG 4.06Å; D288-M290 PolarHBondContact O-N 3.48Å; D288-M290 VanDerWaalsContact OD1-CB 3.26Å; D288-M290 WeakPolarHBondContact OD1-CB 3.29Å; D288-M290 PolarHBondContact OD1-N 3.42Å; M290-V292 PolarHBondContact O-N 3.36Å; M290-D293 PolarHBondContact O-N 2.92Å; M290-K294 HydrophobicContact CG-CG 4.38Å; M290-K294 VanDerWaalsContact O-CB 3.29Å; M290-K294 WeakPolarHBondContact O-CB 3.15Å; M290-K294 WeakPolarHBondContact O-CG 3.39Å; M290-K294 PolarHBondContact O-N 2.75Å; M290-K294 HydrophobicContact SD-CB 4.47Å; M290-K294 HydrophobicContact SD-CG 4.15Å
291A98.8Very high98.6Very high0 Ų055.3 Ų55.30%027%0.266CS..Hα-helixtrans-64.6-42.3-178.300000112.2F159 D288 L295F159-A291 HydrophobicContact CB-CB 3.83Å; D288-A291 HydrophobicContact CB-CB 3.88Å; D288-A291 PolarHBondContact O-N 2.99Å; D288-A291 VanDerWaalsContact O-N 3.12Å; D288-A291 PolarHBondContact OD1-N 3.34Å; A291-L295 VanDerWaalsContact O-CB 3.23Å; A291-L295 WeakPolarHBondContact O-CB 3.24Å; A291-L295 PolarHBondContact O-N 3Å
292V98.7Very high98.6Very high45 Ų4555.1 Ų55.127%0.27327%0.266SS..Hα-helixtrans-61.4-51.7176.7175.10000110.8N286 D288 M290 K294 A296N286-V292 HydrophobicContact CB-CG2 4.44Å; D288-V292 PolarHBondContact O-N 3.2Å; D288-V292 VanDerWaalsContact O-N 3.13Å; M290-V292 PolarHBondContact O-N 3.36Å; V292-K294 PolarHBondContact O-N 3.19Å; V292-A296 WeakPolarHBondContact O-CB 3.42Å; V292-A296 PolarHBondContact O-N 2.99Å; V292-A296 VanDerWaalsContact O-N 3.1Å
293D98.5Very high98.6Very high79 Ų7952.2 Ų52.242%0.42225%0.252SS..Hα-helixtrans-61.6-47-178.1-77.7-14.1000111.6W185 P289 M290 A296 E297W185-D293 PolarHBondContact NE1-OD2 2.98Å; P289-D293 WeakPolarHBondContact O-CB 3.31Å; P289-D293 VanDerWaalsContact O-CG 3.29Å; P289-D293 PolarHBondContact O-N 3.49Å; M290-D293 PolarHBondContact O-N 2.92Å; D293-A296 PolarHBondContact O-N 2.78Å; D293-E297 WeakPolarHBondContact O-CB 3.35Å; D293-E297 PolarHBondContact O-N 3.13Å
294K98.8Very high98.6Very high19 Ų1947.9 Ų47.98%0.08324%0.241CC..Hα-helixtrans-73.3-32.7-175.6-70.6-61.3-179.7-177.10113.3F159 R181 W185 M290 V292 E297 G298F159-K294 HydrophobicContact CD1-CB 3.71Å; F159-K294 HydrophobicContact CD2-CB 3.98Å; F159-K294 HydrophobicContact CE1-CB 3.71Å; F159-K294 VanDerWaalsContact CE2-C 3.43Å; F159-K294 HydrophobicContact CE2-CB 3.98Å; F159-K294 WeakPolarHBondContact CE2-O 3.08Å; F159-K294 HydrophobicContact CG-CB 3.85Å; F159-K294 HydrophobicContact CZ-CB 3.85Å; R181-K294 HydrophobicContact CB-CD 4.47Å; R181-K294 WeakPolarHBondContact O-CE 3.18Å; W185-K294 HydrophobicContact CB-CD 4.27Å; W185-K294 HydrophobicContact CB-CG 4.01Å; W185-K294 HydrophobicContact CG-CG 4.27Å; M290-K294 HydrophobicContact CG-CG 4.38Å; M290-K294 VanDerWaalsContact O-CB 3.29Å; M290-K294 WeakPolarHBondContact O-CB 3.15Å; M290-K294 WeakPolarHBondContact O-CG 3.39Å; M290-K294 PolarHBondContact O-N 2.75Å; M290-K294 HydrophobicContact SD-CB 4.47Å; M290-K294 HydrophobicContact SD-CG 4.15Å; V292-K294 PolarHBondContact O-N 3.19Å; K294-E297 VanDerWaalsContact CD-OE2 3.24Å; K294-E297 WeakPolarHBondContact CD-OE2 3.36Å; K294-E297 IonicContact NZ-OE2 3.36Å; K294-E297 PolarHBondContact NZ-OE2 2.91Å; K294-G298 PolarHBondContact O-N 3.12Å
295L98.8Very high98.6Very high10 Ų1045.9 Ų45.95%0.05223%0.233CC..Hα-helixtrans-63.8-52.4170.9178.557.8000110.8T136 L157 F159 A291 E297 G298 I299T136-L295 HydrophobicContact CG2-CD1 4.32Å; T136-L295 HydrophobicContact CG2-CD2 4.27Å; L157-L295 HydrophobicContact CB-CD1 3.86Å; F159-L295 HydrophobicContact CD2-CB 4.03Å; F159-L295 HydrophobicContact CE2-CB 4.33Å; A291-L295 VanDerWaalsContact O-CB 3.23Å; A291-L295 WeakPolarHBondContact O-CB 3.24Å; A291-L295 PolarHBondContact O-N 3Å; L295-E297 PolarHBondContact O-N 3.45Å; L295-G298 PolarHBondContact O-N 3.48Å; L295-I299 HydrophobicContact CD1-CD1 3.82Å; L295-I299 HydrophobicContact CD1-CG1 4.32Å; L295-I299 HydrophobicContact CG-CD1 4.15Å; L295-I299 WeakPolarHBondContact O-CG1 3.39Å; L295-I299 PolarHBondContact O-N 2.83Å
296A98.6Very high98.6Very high28 Ų2846.2 Ų46.223%0.23123%0.234CC..Hα-helixtrans-62.4-44179.900000112.1V292 D293 R300V292-A296 WeakPolarHBondContact O-CB 3.42Å; V292-A296 PolarHBondContact O-N 2.99Å; V292-A296 VanDerWaalsContact O-N 3.1Å; D293-A296 PolarHBondContact O-N 2.78Å; A296-R300 WeakPolarHBondContact O-CG 3.29Å; A296-R300 PolarHBondContact O-N 3.05Å; A296-R300 VanDerWaalsContact O-N 3.13Å
297E98.6Very high98.6Very high44 Ų4446.7 Ų46.721%0.20623%0.234CC..Hα-helixtrans-59.8-45.7174.2-177.2-173.8-154.700111.7D293 K294 L295 R300 K301D293-E297 WeakPolarHBondContact O-CB 3.35Å; D293-E297 PolarHBondContact O-N 3.13Å; K294-E297 VanDerWaalsContact CD-OE2 3.24Å; K294-E297 WeakPolarHBondContact CD-OE2 3.36Å; K294-E297 IonicContact NZ-OE2 3.36Å; K294-E297 PolarHBondContact NZ-OE2 2.91Å; L295-E297 PolarHBondContact O-N 3.45Å; E297-R300 PolarHBondContact O-N 2.75Å; E297-K301 HydrophobicContact CG-CD 3.94Å; E297-K301 HydrophobicContact CG-CG 4.37Å; E297-K301 WeakPolarHBondContact O-CB 3.49Å; E297-K301 WeakPolarHBondContact O-CG 3.4Å; E297-K301 PolarHBondContact O-N 3.2Å; E297-K301 VanDerWaalsContact OE1-CE 3.23Å; E297-K301 WeakPolarHBondContact OE1-CE 3.39Å; E297-K301 IonicContact OE1-NZ 3.68Å; E297-K301 PolarHBondContact OE1-NZ 3.32Å
298G98.6Very high98.6Very high0 Ų046.1 Ų46.10%023%0.229CC..Hα-helixtrans-61.1-47.8-178.100000112.8K294 L295 K301 F302K294-G298 PolarHBondContact O-N 3.12Å; L295-G298 PolarHBondContact O-N 3.48Å; G298-K301 PolarHBondContact O-N 3.02Å; G298-F302 WeakPolarHBondContact O-CG 3.34Å; G298-F302 PolarHBondContact O-N 2.92Å
299I98.8Very high98.5Very high12 Ų1244.1 Ų44.16%0.06222%0.219CC..Hα-helixtrans-60.4-47.5176.9-69.7168.4000110.5A99 Y103 A134 T136 L157 L295 K301 F302 A303A99-I299 HydrophobicContact CB-CG2 4.37Å; A99-I299 WeakPolarHBondContact O-CG2 3.44Å; Y103-I299 HydrophobicContact CE1-CD1 4.44Å; Y103-I299 HydrophobicContact CE2-CD1 3.94Å; Y103-I299 HydrophobicContact CE2-CG2 4.45Å; Y103-I299 WeakPolarHBondContact OH-CD1 3.39Å; A134-I299 HydrophobicContact CB-CD1 4.27Å; A134-I299 HydrophobicContact CB-CG1 4.24Å; T136-I299 HydrophobicContact CG2-CD1 3.82Å; L157-I299 HydrophobicContact CD1-CG1 3.69Å; L295-I299 HydrophobicContact CD1-CD1 3.82Å; L295-I299 HydrophobicContact CD1-CG1 4.32Å; L295-I299 HydrophobicContact CG-CD1 4.15Å; L295-I299 WeakPolarHBondContact O-CG1 3.39Å; L295-I299 PolarHBondContact O-N 2.83Å; I299-K301 PolarHBondContact O-N 2.92Å; I299-F302 PolarHBondContact O-N 3.48Å; I299-A303 WeakPolarHBondContact O-CB 3.34Å; I299-A303 PolarHBondContact O-N 3.14Å
300R98.7Very high98.5Very high156 Ų15641.7 Ų41.759%0.58920%0.2SC*.Hα-helixtrans-59.8-45.4178.4-73.8-174.2-56.7-132.6-0.2112.4A296 E297 A303 I304A296-R300 WeakPolarHBondContact O-CG 3.29Å; A296-R300 PolarHBondContact O-N 3.05Å; A296-R300 VanDerWaalsContact O-N 3.13Å; E297-R300 PolarHBondContact O-N 2.75Å; R300-A303 PolarHBondContact O-N 3.22Å; R300-I304 VanDerWaalsContact O-CG1 3.3Å; R300-I304 WeakPolarHBondContact O-CG1 3.47Å; R300-I304 PolarHBondContact O-N 3.44Å
301K98.6Very high98.5Very high102 Ų10248.4 Ų48.444%0.44323%0.23SC..Hα-helixtrans-65.6-41.7-179.2-76.5-178.5170.9174.40111.9E297 G298 I299 I304 D305E297-K301 HydrophobicContact CG-CD 3.94Å; E297-K301 HydrophobicContact CG-CG 4.37Å; E297-K301 WeakPolarHBondContact O-CB 3.49Å; E297-K301 WeakPolarHBondContact O-CG 3.4Å; E297-K301 PolarHBondContact O-N 3.2Å; E297-K301 VanDerWaalsContact OE1-CE 3.23Å; E297-K301 WeakPolarHBondContact OE1-CE 3.39Å; E297-K301 IonicContact OE1-NZ 3.68Å; E297-K301 PolarHBondContact OE1-NZ 3.32Å; G298-K301 PolarHBondContact O-N 3.02Å; I299-K301 PolarHBondContact O-N 2.92Å; K301-I304 PolarHBondContact O-N 2.85Å; K301-D305 PolarHBondContact O-N 3.38Å
302F98.6Very high98.4Very high1 Ų151 Ų510%0.00424%0.242CC..Hα-helixtrans-65.6-37.9174.9-73.9-14.1000112.6N35 P36 E96 A99 L157 F178 G298 I299 D305 Q306N35-F302 HydrophobicContact CB-CE1 4.09Å; N35-F302 HydrophobicContact CB-CE2 4.27Å; N35-F302 HydrophobicContact CB-CZ 3.83Å; P36-F302 HydrophobicContact CB-CB 4.45Å; P36-F302 WeakPolarHBondContact CB-O 3.26Å; P36-F302 HydrophobicContact CG-CB 4.07Å; P36-F302 HydrophobicContact CG-CG 4.4Å; E96-F302 VanDerWaalsContact OE1-CD2 3.26Å; E96-F302 WeakPolarHBondContact OE1-CD2 3.27Å; E96-F302 VanDerWaalsContact OE1-CE2 3.25Å; E96-F302 WeakPolarHBondContact OE1-CE2 3.48Å; A99-F302 HydrophobicContact CB-CB 3.69Å; L157-F302 HydrophobicContact CD1-CD2 4.03Å; L157-F302 HydrophobicContact CD1-CE2 4.14Å; L157-F302 HydrophobicContact CD2-CD2 4.37Å; L157-F302 HydrophobicContact CD2-CE2 3.79Å; L157-F302 HydrophobicContact CD2-CZ 4.36Å; L157-F302 HydrophobicContact CG-CD2 4.45Å; L157-F302 HydrophobicContact CG-CE2 4.06Å; F178-F302 HydrophobicContact CE2-CZ 4.41Å; G298-F302 WeakPolarHBondContact O-CG 3.34Å; G298-F302 PolarHBondContact O-N 2.92Å; I299-F302 PolarHBondContact O-N 3.48Å; F302-D305 PolarHBondContact O-N 3.15Å; F302-Q306 VanDerWaalsContact O-CB 3.29Å; F302-Q306 WeakPolarHBondContact O-CB 3.47Å; F302-Q306 PolarHBondContact O-N 3.06Å
303A98.6Very high98.3Very high13 Ų1348.9 Ų48.911%0.10723%0.229CC..Hα-helixtrans-62.7-43.7172.400000112.2R100 I299 R300 D305 Q306 E307R100-A303 HydrophobicContact CG-CB 3.71Å; I299-A303 WeakPolarHBondContact O-CB 3.34Å; I299-A303 PolarHBondContact O-N 3.14Å; R300-A303 PolarHBondContact O-N 3.22Å; A303-D305 VanDerWaalsContact C-N 3.34Å; A303-D305 PolarHBondContact O-N 3.29Å; A303-Q306 WeakPolarHBondContact O-CB 3.33Å; A303-Q306 PolarHBondContact O-N 3.19Å; A303-E307 WeakPolarHBondContact O-CG 3.34Å; A303-E307 PolarHBondContact O-N 3.46Å
304I98.7Very high98.2Very high83 Ų8345.5 Ų45.543%0.42621%0.213SC..Hα-helixtrans-60.7-43.3176.5-72.2164.2000111.4R300 K301 E307 K308R300-I304 VanDerWaalsContact O-CG1 3.3Å; R300-I304 WeakPolarHBondContact O-CG1 3.47Å; R300-I304 PolarHBondContact O-N 3.44Å; K301-I304 PolarHBondContact O-N 2.85Å; I304-E307 PolarHBondContact O-N 3.44Å; I304-K308 WeakPolarHBondContact O-CG 2.93Å; I304-K308 PolarHBondContact O-N 3Å
305D98.5Very high98.1Very high27 Ų2750.7 Ų50.714%0.14424%0.242CC..Hα-helixtrans-72.1-34179.7-70-23.4000112.1S37 L40 K301 F302 A303 K308 L309S37-D305 WeakPolarHBondContact CB-OD2 3.5Å; S37-D305 PolarHBondContact OG-OD2 3.05Å; L40-D305 HydrophobicContact CD2-CB 3.96Å; K301-D305 PolarHBondContact O-N 3.38Å; F302-D305 PolarHBondContact O-N 3.15Å; A303-D305 VanDerWaalsContact C-N 3.34Å; A303-D305 PolarHBondContact O-N 3.29Å; D305-K308 PolarHBondContact O-N 3.14Å; D305-K308 IonicContact OD1-NZ 2.74Å; D305-K308 PolarHBondContact OD1-NZ 3.08Å; D305-L309 PolarHBondContact O-N 3.11Å
306Q98.3Very high97.8Very high18 Ų1852.7 Ų52.78%0.08425%0.252CS..Hα-helixtrans-59.7-46.6169.2178.664.526.500111.1P36 F302 A303 K308 L309 E310P36-Q306 HydrophobicContact CB-CB 4.22Å; F302-Q306 VanDerWaalsContact O-CB 3.29Å; F302-Q306 WeakPolarHBondContact O-CB 3.47Å; F302-Q306 PolarHBondContact O-N 3.06Å; A303-Q306 WeakPolarHBondContact O-CB 3.33Å; A303-Q306 PolarHBondContact O-N 3.19Å; Q306-K308 VanDerWaalsContact C-N 3.33Å; Q306-K308 PolarHBondContact O-N 3.45Å; Q306-L309 WeakPolarHBondContact O-CB 3.45Å; Q306-L309 PolarHBondContact O-N 3.21Å; Q306-L309 VanDerWaalsContact O-N 3.14Å; Q306-E310 PolarHBondContact NE2-OE1 2.94Å; Q306-E310 WeakPolarHBondContact O-CB 3.22Å; Q306-E310 VanDerWaalsContact O-CG 3.31Å; Q306-E310 WeakPolarHBondContact O-CG 3.43Å; Q306-E310 PolarHBondContact O-N 3.35Å
307E98.3Very high97.4Very high101 Ų10153.1 Ų53.147%0.47225%0.251SS..Hα-helixtrans-63.4-36.3177.6-73.6170176.500112.7A303 I304 E310 K311A303-E307 WeakPolarHBondContact O-CG 3.34Å; A303-E307 PolarHBondContact O-N 3.46Å; I304-E307 PolarHBondContact O-N 3.44Å; E307-E310 PolarHBondContact O-N 2.89Å; E307-K311 WeakPolarHBondContact O-CB 3.19Å; E307-K311 PolarHBondContact O-N 2.92Å
308K98.4Very high97.3Very high106 Ų10653.6 Ų53.646%0.46125%0.253SS..Hα-helixtrans-64.2-41.4173-70.7171.5-165.8157.70111.6L40 I304 D305 Q306 K311 M312L40-K308 HydrophobicContact CD1-CB 4.16Å; L40-K308 HydrophobicContact CD2-CB 3.87Å; L40-K308 HydrophobicContact CD2-CD 3.86Å; I304-K308 WeakPolarHBondContact O-CG 2.93Å; I304-K308 PolarHBondContact O-N 3Å; D305-K308 PolarHBondContact O-N 3.14Å; D305-K308 IonicContact OD1-NZ 2.74Å; D305-K308 PolarHBondContact OD1-NZ 3.08Å; Q306-K308 VanDerWaalsContact C-N 3.33Å; Q306-K308 PolarHBondContact O-N 3.45Å; K308-K311 PolarHBondContact O-N 3.5Å; K308-M312 PolarHBondContact O-N 3.14Å
309L97.7Very high97.3Very high1 Ų156.4 Ų56.41%0.00527%0.266CS..Hα-helixtrans-64.7-45.5176-179.360.5000110.7I39 L40 A43 T74 L77 D305 Q306 K311 M312 I313I39-L309 HydrophobicContact CB-CD2 4.33Å; I39-L309 HydrophobicContact CG2-CD2 3.54Å; L40-L309 HydrophobicContact CD1-CB 4.11Å; L40-L309 HydrophobicContact CD1-CD1 4.42Å; A43-L309 HydrophobicContact CB-CD1 3.92Å; T74-L309 HydrophobicContact CG2-CD2 3.5Å; T74-L309 VanDerWaalsContact CG2-CD2 3.5Å; T74-L309 HydrophobicContact CG2-CG 3.92Å; L77-L309 HydrophobicContact CD2-CD1 3.94Å; D305-L309 PolarHBondContact O-N 3.11Å; Q306-L309 WeakPolarHBondContact O-CB 3.45Å; Q306-L309 PolarHBondContact O-N 3.21Å; Q306-L309 VanDerWaalsContact O-N 3.14Å; L309-K311 VanDerWaalsContact C-N 3.29Å; L309-K311 PolarHBondContact O-N 3.21Å; L309-M312 WeakPolarHBondContact O-CB 3.4Å; L309-M312 PolarHBondContact O-N 3.23Å; L309-M312 VanDerWaalsContact O-N 3.14Å; L309-I313 HydrophobicContact CD1-CG1 4.43Å; L309-I313 WeakPolarHBondContact O-CG1 3.42Å; L309-I313 PolarHBondContact O-N 2.88Å
310E98.2Very high97.2Very high25 Ų2558.9 Ų58.912%0.11728%0.278CS..Hα-helixtrans-58.7-40.1175.6-74.9172.3176.200111.9I70 R100 Q306 E307 I313 G314I70-E310 HydrophobicContact CG2-CB 3.61Å; I70-E310 HydrophobicContact CG2-CG 3.77Å; R100-E310 IonicContact CZ-OE1 2.81Å; R100-E310 IonicContact CZ-OE2 3.19Å; R100-E310 IonicContact NH1-OE1 2.66Å; R100-E310 IonicContact NH1-OE2 3.69Å; R100-E310 PolarHBondContact NH1-OE2 3.34Å; R100-E310 IonicContact NH2-OE1 2.62Å; R100-E310 PolarHBondContact NH2-OE1 3.49Å; R100-E310 IonicContact NH2-OE2 3.88Å; R100-E310 PolarHBondContact NH2-OE2 3.28Å; Q306-E310 PolarHBondContact NE2-OE1 2.94Å; Q306-E310 WeakPolarHBondContact O-CB 3.22Å; Q306-E310 VanDerWaalsContact O-CG 3.31Å; Q306-E310 WeakPolarHBondContact O-CG 3.43Å; Q306-E310 PolarHBondContact O-N 3.35Å; E307-E310 PolarHBondContact O-N 2.89Å; E310-I313 PolarHBondContact O-N 3.35Å; E310-G314 WeakPolarHBondContact O-CA 3.27Å; E310-G314 PolarHBondContact O-N 2.9Å
311K98Very high97.1Very high147 Ų14753.2 Ų53.264%0.63926%0.259SS*.Hα-helixtrans-63.6-47.9173.1-175.6-179.2178.4-177.50111.8E307 K308 L309 I313 G314 D315E307-K311 WeakPolarHBondContact O-CB 3.19Å; E307-K311 PolarHBondContact O-N 2.92Å; K308-K311 PolarHBondContact O-N 3.5Å; L309-K311 VanDerWaalsContact C-N 3.29Å; L309-K311 PolarHBondContact O-N 3.21Å; K311-I313 VanDerWaalsContact C-N 3.29Å; K311-I313 PolarHBondContact O-N 3.05Å; K311-G314 WeakPolarHBondContact O-CA 3.04Å; K311-G314 PolarHBondContact O-N 2.73Å; K311-G314 VanDerWaalsContact O-N 3.12Å; K311-D315 PolarHBondContact O-N 2.69Å
312M96.4Very high97Very high55 Ų5550.1 Ų50.127%0.27125%0.248SC..Hα-helixtrans-57-43.7177.1-179.9-170.9-66.500111.5L40 A43 Q44 K308 L309 D315 L316L40-M312 HydrophobicContact CD1-CE 4.07Å; A43-M312 HydrophobicContact CB-SD 4.02Å; Q44-M312 HydrophobicContact CG-CE 3.9Å; K308-M312 PolarHBondContact O-N 3.14Å; L309-M312 WeakPolarHBondContact O-CB 3.4Å; L309-M312 PolarHBondContact O-N 3.23Å; L309-M312 VanDerWaalsContact O-N 3.14Å; M312-D315 PolarHBondContact O-N 3.41Å; M312-L316 WeakPolarHBondContact O-CG 3.1Å
313I96.5Very high96.9Very high0 Ų053.4 Ų53.40%026%0.264CS..Hα-helixtrans-67.4-42175.3-67.9-63.5000111.3I52 V56 A73 L77 L309 E310 K311 D315 L316 L317I52-I313 HydrophobicContact CG2-CD1 3.66Å; V56-I313 HydrophobicContact CG2-CD1 4.37Å; V56-I313 HydrophobicContact CG2-CG2 4.3Å; A73-I313 HydrophobicContact CB-CG2 3.52Å; L77-I313 HydrophobicContact CD2-CD1 4.08Å; L309-I313 HydrophobicContact CD1-CG1 4.43Å; L309-I313 WeakPolarHBondContact O-CG1 3.42Å; L309-I313 PolarHBondContact O-N 2.88Å; E310-I313 PolarHBondContact O-N 3.35Å; K311-I313 VanDerWaalsContact C-N 3.29Å; K311-I313 PolarHBondContact O-N 3.05Å; I313-D315 PolarHBondContact O-N 3.38Å; I313-L316 WeakPolarHBondContact O-CA 3.33Å; I313-L316 WeakPolarHBondContact O-CB 3.4Å; I313-L316 PolarHBondContact O-N 2.97Å; I313-L317 HydrophobicContact CG2-CD1 4.02Å; I313-L317 HydrophobicContact CG2-CG 4.49Å; I313-L317 PolarHBondContact O-N 3.39Å
314G96.6Very high96.8Very high8 Ų856.3 Ų56.38%0.08228%0.275CS..Hα-helixtrans-58.2-34.3176.700000113R66 E310 K311 L316 L317R66-G314 PolarHBondContact NH2-O 3.06Å; E310-G314 WeakPolarHBondContact O-CA 3.27Å; E310-G314 PolarHBondContact O-N 2.9Å; K311-G314 WeakPolarHBondContact O-CA 3.04Å; K311-G314 PolarHBondContact O-N 2.73Å; K311-G314 VanDerWaalsContact O-N 3.12Å; G314-L316 PolarHBondContact O-N 3.01Å; G314-L317 PolarHBondContact O-N 2.69Å
315D95.9Very high96.6Very high127 Ų12754.2 Ų54.268%0.67926%0.264SS*.THydrogen-bonded Turntrans-72.5-13.8175.8-67.2-23.2000112.9K311 M312 I313K311-D315 PolarHBondContact O-N 2.69Å; M312-D315 PolarHBondContact O-N 3.41Å; I313-D315 PolarHBondContact O-N 3.38Å
316L93.6Very high96.5Very high53 Ų5356.5 Ų56.528%0.27727%0.273SS..THydrogen-bonded Turntrans-102.6-11.5178.9-56.7177.8000113.9R49 I52 V56 M312 I313 G314R49-L316 VanDerWaalsContact NH1-CD2 3.32Å; I52-L316 HydrophobicContact CG2-CD1 3.46Å; I52-L316 VanDerWaalsContact CG2-CD1 3.46Å; V56-L316 HydrophobicContact CG2-CB 4.34Å; M312-L316 WeakPolarHBondContact O-CG 3.1Å; I313-L316 WeakPolarHBondContact O-CA 3.33Å; I313-L316 WeakPolarHBondContact O-CB 3.4Å; I313-L316 PolarHBondContact O-N 2.97Å; G314-L316 PolarHBondContact O-N 3.01Å
317L89.7Confident96.3Very high37 Ų3760 Ų6019%0.19429%0.291CS..  trans-810-179.9-83.4165.1000112.8V56 K60 R66 Q69 I70 I313 G314V56-L317 HydrophobicContact CG1-CD2 3.83Å; V56-L317 HydrophobicContact CG1-CG 4.26Å; K60-L317 HydrophobicContact CD-CD2 4.42Å; K60-L317 WeakPolarHBondContact CE-OXT 3.48Å; K60-L317 HydrophobicContact CG-CD2 3.86Å; K60-L317 PolarHBondContact NZ-OXT 2.67Å; R66-L317 VanDerWaalsContact CZ-O 3.24Å; R66-L317 PolarHBondContact NH1-O 3.46Å; R66-L317 PolarHBondContact NH2-O 3.28Å; Q69-L317 HydrophobicContact CB-CD1 3.97Å; Q69-L317 HydrophobicContact CB-CD2 3.93Å; I70-L317 HydrophobicContact CB-CD1 4.23Å; I70-L317 HydrophobicContact CG1-CD1 3.39Å; I313-L317 HydrophobicContact CG2-CD1 4.02Å; I313-L317 HydrophobicContact CG2-CG 4.49Å; I313-L317 PolarHBondContact O-N 3.39Å; G314-L317 PolarHBondContact O-N 2.69Å

Retrieved 317 of 317 residues in 237.2 ms (Link to these results)

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