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Arylacetamide deacetylase

Displays cellular triglyceride lipase activity in liver, increases the levels of intracellular fatty acids derived from the hydrolysis of newly formed triglyceride stores and plays a role in very low-density lipoprotein assembly (By similarity). Displays serine esterase activity in liver. Deacetylates a variety of arylacetamide substrates, including xenobiotic compounds and procarcinogens, converting them to the primary arylamide compounds and increasing their toxicity.

AlphaFold DB , UniProt , Accession Q99PG0, Species MOUSE (Mus musculus, Mouse), Gene Aadac, Length 398 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
1M64.5Low77.4Confident194 Ų194105.9 Ų105.996%0.95659%0.593SS**  0-52.80-141.9164.4123.500112.7K3 T4 I5M1-K3 PolarHBondContact O-N 3.32Å; M1-T4 PolarHBondContact O-N 3.1Å; M1-I5 HydrophobicContact CE-CD1 4.25Å; M1-I5 HydrophobicContact CG-CD1 4.12Å; M1-I5 WeakPolarHBondContact O-CG1 3.28Å; M1-I5 PolarHBondContact O-N 3.44Å
2G77.6Confident77.8Confident55 Ų55104.3 Ų104.357%0.56759%0.587SS**Hα-helixtrans-57.2-41.7-177.800000116.4T4 I5 S6G2-T4 PolarHBondContact O-N 2.89Å; G2-I5 PolarHBondContact O-N 2.72Å; G2-S6 WeakPolarHBondContact O-CB 3.27Å; G2-S6 PolarHBondContact O-N 3.17Å
3K75.6Confident78.1Confident191 Ų191102.8 Ų102.883%0.8358%0.577SS**Hα-helixtrans-63.2-41.6178.9-67.2-175.6178.6-178.20113.2M1 S6 L7M1-K3 PolarHBondContact O-N 3.32Å; K3-S6 PolarHBondContact O-N 3.21Å; K3-L7 PolarHBondContact O-N 3.21Å
4T79.2Confident78.3Confident101 Ų101101.4 Ų101.462%0.6257%0.571SS**Hα-helixtrans-68.3-40.8179.9-44.70000111.6M1 G2 L7 L8M1-T4 PolarHBondContact O-N 3.1Å; G2-T4 PolarHBondContact O-N 2.89Å; T4-L7 PolarHBondContact O-N 2.83Å; T4-L8 WeakPolarHBondContact O-CB 3.49Å; T4-L8 PolarHBondContact O-N 3.42Å
5I81.2Confident78.5Confident83 Ų8398.3 Ų98.343%0.42656%0.563SS.*Hα-helixtrans-63.9-45.4176-66169.2000110.3M1 G2 L7 L8 I9M1-I5 HydrophobicContact CE-CD1 4.25Å; M1-I5 HydrophobicContact CG-CD1 4.12Å; M1-I5 WeakPolarHBondContact O-CG1 3.28Å; M1-I5 PolarHBondContact O-N 3.44Å; G2-I5 PolarHBondContact O-N 2.72Å; I5-L7 PolarHBondContact O-N 3.06Å; I5-L8 PolarHBondContact O-N 2.79Å; I5-I9 HydrophobicContact CG2-CD1 3.76Å; I5-I9 HydrophobicContact CG2-CG1 4.41Å; I5-I9 VanDerWaalsContact O-CG1 3.32Å; I5-I9 WeakPolarHBondContact O-CG1 3.34Å; I5-I9 PolarHBondContact O-N 3.36Å
6S73.3Confident78.9Confident69 Ų6999.8 Ų99.848%0.48356%0.558SS.*Hα-helixtrans-59.3-47.2177.3-177.20000112.1G2 K3 L8 I9 S10G2-S6 WeakPolarHBondContact O-CB 3.27Å; G2-S6 PolarHBondContact O-N 3.17Å; K3-S6 PolarHBondContact O-N 3.21Å; S6-L8 VanDerWaalsContact C-N 3.33Å; S6-L8 PolarHBondContact O-N 2.78Å; S6-I9 PolarHBondContact O-N 2.7Å; S6-S10 PolarHBondContact O-N 3.3Å; S6-S10 PolarHBondContact O-OG 2.9Å; S6-S10 VanDerWaalsContact O-OG 3.13Å
7L80.6Confident79.2Confident116 Ų11696.5 Ų96.561%0.60754%0.535SS*.Hα-helixtrans-59.1-43.3176.3-176.567.5000112.1K3 T4 I5 S10 V11K3-L7 PolarHBondContact O-N 3.21Å; T4-L7 PolarHBondContact O-N 2.83Å; I5-L7 PolarHBondContact O-N 3.06Å; L7-S10 PolarHBondContact O-N 3.18Å; L7-V11 VanDerWaalsContact O-CG2 3.32Å; L7-V11 WeakPolarHBondContact O-CG2 3.37Å; L7-V11 PolarHBondContact O-N 3.49Å
8L81.1Confident79.4Confident118 Ų11894.6 Ų94.662%0.61852%0.524SS*.Hα-helixtrans-65.1-41.6179.4-168.9126.3000111.7T4 I5 S6 V11 V12T4-L8 WeakPolarHBondContact O-CB 3.49Å; T4-L8 PolarHBondContact O-N 3.42Å; I5-L8 PolarHBondContact O-N 2.79Å; S6-L8 VanDerWaalsContact C-N 3.33Å; S6-L8 PolarHBondContact O-N 2.78Å; L8-V11 PolarHBondContact O-N 3.28Å; L8-V12 HydrophobicContact CD2-CG2 4.47Å; L8-V12 WeakPolarHBondContact O-CB 3.24Å; L8-V12 VanDerWaalsContact O-CG2 3.27Å; L8-V12 WeakPolarHBondContact O-CG2 3.41Å; L8-V12 PolarHBondContact O-N 2.69Å
9I80.4Confident79.8Confident88 Ų8899.4 Ų99.445%0.45153%0.534SS..Hα-helixtrans-60.9-46.4173.8-67.9166.8000110.3I5 S6 V11 V12 L13I5-I9 HydrophobicContact CG2-CD1 3.76Å; I5-I9 HydrophobicContact CG2-CG1 4.41Å; I5-I9 VanDerWaalsContact O-CG1 3.32Å; I5-I9 WeakPolarHBondContact O-CG1 3.34Å; I5-I9 PolarHBondContact O-N 3.36Å; S6-I9 PolarHBondContact O-N 2.7Å; I9-V11 PolarHBondContact O-N 3.43Å; I9-V12 PolarHBondContact O-N 3.37Å; I9-L13 HydrophobicContact CG2-CD1 3.8Å; I9-L13 HydrophobicContact CG2-CG 4.27Å; I9-L13 WeakPolarHBondContact O-CB 3.37Å; I9-L13 VanDerWaalsContact O-CG 3.28Å; I9-L13 WeakPolarHBondContact O-CG 3.44Å; I9-L13 PolarHBondContact O-N 3Å
10S78Confident80Confident60 Ų6095.8 Ų95.842%0.4251%0.514SS..Hα-helixtrans-60.5-43.9177.4-59.30000112.3S6 L7 L13 V14S6-S10 PolarHBondContact O-N 3.3Å; S6-S10 PolarHBondContact O-OG 2.9Å; S6-S10 VanDerWaalsContact O-OG 3.13Å; L7-S10 PolarHBondContact O-N 3.18Å; S10-L13 PolarHBondContact O-N 2.87Å; S10-V14 WeakPolarHBondContact O-CB 3.3Å; S10-V14 VanDerWaalsContact O-CG2 3.23Å; S10-V14 WeakPolarHBondContact O-CG2 3.5Å; S10-V14 PolarHBondContact O-N 3.46Å
11V79.8Confident80.2Confident90 Ų9094.6 Ų94.655%0.54551%0.512SS..Hα-helixtrans-63.2-44177.4170.90000111.2L7 L8 I9 V14 A15L7-V11 VanDerWaalsContact O-CG2 3.32Å; L7-V11 WeakPolarHBondContact O-CG2 3.37Å; L7-V11 PolarHBondContact O-N 3.49Å; L8-V11 PolarHBondContact O-N 3.28Å; I9-V11 PolarHBondContact O-N 3.43Å; V11-V14 PolarHBondContact O-N 3.39Å; V11-A15 VanDerWaalsContact O-CB 3.29Å; V11-A15 WeakPolarHBondContact O-CB 3.24Å; V11-A15 PolarHBondContact O-N 3.31Å
12V82.1Confident81.4Confident87 Ų8786.8 Ų86.853%0.52747%0.474SS..Hα-helixtrans-64.4-41.8177.71710000111.3L8 I9 A15 Y16L8-V12 HydrophobicContact CD2-CG2 4.47Å; L8-V12 WeakPolarHBondContact O-CB 3.24Å; L8-V12 VanDerWaalsContact O-CG2 3.27Å; L8-V12 WeakPolarHBondContact O-CG2 3.41Å; L8-V12 PolarHBondContact O-N 2.69Å; I9-V12 PolarHBondContact O-N 3.37Å; V12-A15 PolarHBondContact O-N 3.29Å; V12-Y16 VanDerWaalsContact O-CB 3.31Å; V12-Y16 WeakPolarHBondContact O-CB 3.07Å; V12-Y16 PolarHBondContact O-N 3.09Å
13L82.5Confident81.9Confident85 Ų8585.6 Ų85.645%0.44546%0.456SS..Hα-helixtrans-63.8-47.9176-72.3172.1000111.3I9 S10 A15 Y16 Y17I9-L13 HydrophobicContact CG2-CD1 3.8Å; I9-L13 HydrophobicContact CG2-CG 4.27Å; I9-L13 WeakPolarHBondContact O-CB 3.37Å; I9-L13 VanDerWaalsContact O-CG 3.28Å; I9-L13 WeakPolarHBondContact O-CG 3.44Å; I9-L13 PolarHBondContact O-N 3Å; S10-L13 PolarHBondContact O-N 2.87Å; L13-A15 VanDerWaalsContact C-N 3.31Å; L13-A15 PolarHBondContact O-N 3.36Å; L13-Y16 WeakPolarHBondContact O-CB 3.24Å; L13-Y16 PolarHBondContact O-N 3.21Å; L13-Y16 VanDerWaalsContact O-N 3.15Å; L13-Y17 WeakPolarHBondContact O-CD2 3.34Å; L13-Y17 PolarHBondContact O-N 3.32Å
14V80.3Confident82.6Confident83 Ų8384.7 Ų84.750%0.50346%0.461SS..Hα-helixtrans-58.6-45.5176.1170.60000110.4S10 V11 Y16 Y17 L18S10-V14 WeakPolarHBondContact O-CB 3.3Å; S10-V14 VanDerWaalsContact O-CG2 3.23Å; S10-V14 WeakPolarHBondContact O-CG2 3.5Å; S10-V14 PolarHBondContact O-N 3.46Å; V11-V14 PolarHBondContact O-N 3.39Å; V14-Y16 PolarHBondContact O-N 3.23Å; V14-Y17 PolarHBondContact O-N 2.92Å; V14-L18 HydrophobicContact CG1-CD1 3.59Å; V14-L18 HydrophobicContact CG1-CG 4.25Å; V14-L18 WeakPolarHBondContact O-CB 3.43Å; V14-L18 VanDerWaalsContact O-CG 3.31Å; V14-L18 WeakPolarHBondContact O-CG 3.16Å; V14-L18 PolarHBondContact O-N 3.38Å
15A81.9Confident83.2Confident54 Ų5482.2 Ų82.245%0.44645%0.45SS..Hα-helixtrans-61.8-41.3175.800000112.2V11 V12 L13 Y17 L18 Y19V11-A15 VanDerWaalsContact O-CB 3.29Å; V11-A15 WeakPolarHBondContact O-CB 3.24Å; V11-A15 PolarHBondContact O-N 3.31Å; V12-A15 PolarHBondContact O-N 3.29Å; L13-A15 VanDerWaalsContact C-N 3.31Å; L13-A15 PolarHBondContact O-N 3.36Å; A15-Y17 PolarHBondContact O-N 2.67Å; A15-L18 PolarHBondContact O-N 2.8Å; A15-Y19 WeakPolarHBondContact O-CB 3.19Å; A15-Y19 PolarHBondContact O-N 3.16Å
16Y84.3Confident83.6Confident123 Ų12378.8 Ų78.848%0.48243%0.433SS..Hα-helixtrans-64.2-35.9177.9170.3-101.3000113.4V12 L13 V14 K40V12-Y16 VanDerWaalsContact O-CB 3.31Å; V12-Y16 WeakPolarHBondContact O-CB 3.07Å; V12-Y16 PolarHBondContact O-N 3.09Å; L13-Y16 WeakPolarHBondContact O-CB 3.24Å; L13-Y16 PolarHBondContact O-N 3.21Å; L13-Y16 VanDerWaalsContact O-N 3.15Å; V14-Y16 PolarHBondContact O-N 3.23Å; Y16-K40 VanDerWaalsContact CE1-NZ 3.27Å; Y16-K40 VanDerWaalsContact CZ-CE 3.43Å; Y16-K40 PolarHBondContact O-NZ 2.78Å; Y16-K40 WeakPolarHBondContact OH-CE 3.27Å
17Y84.3Confident84.5Confident44 Ų4479.6 Ų79.617%0.17343%0.429CS..Hα-helixtrans-83.3-29.9178-74.6-71.6000113L13 V14 A15 I20 A37 K40 I41 D44L13-Y17 WeakPolarHBondContact O-CD2 3.34Å; L13-Y17 PolarHBondContact O-N 3.32Å; V14-Y17 PolarHBondContact O-N 2.92Å; A15-Y17 PolarHBondContact O-N 2.67Å; Y17-I20 WeakPolarHBondContact O-CD1 3.41Å; Y17-A37 WeakPolarHBondContact O-CB 3.43Å; Y17-K40 HydrophobicContact CD1-CB 4.19Å; Y17-K40 HydrophobicContact CD1-CD 3.78Å; Y17-K40 HydrophobicContact CD1-CG 3.85Å; Y17-K40 HydrophobicContact CE1-CB 4.39Å; Y17-K40 HydrophobicContact CE1-CD 4.15Å; Y17-K40 HydrophobicContact CE1-CG 3.84Å; Y17-I41 HydrophobicContact CD1-CD1 4.36Å; Y17-I41 HydrophobicContact CD1-CG1 3.43Å; Y17-I41 VanDerWaalsContact CD1-CG1 3.43Å; Y17-I41 HydrophobicContact CD2-CG1 4.13Å; Y17-I41 HydrophobicContact CE1-CB 4.31Å; Y17-I41 HydrophobicContact CE1-CG1 3.58Å; Y17-I41 HydrophobicContact CE2-CG1 4.29Å; Y17-I41 HydrophobicContact CG-CD1 4.26Å; Y17-I41 HydrophobicContact CG-CG1 3.73Å; Y17-D44 HydrophobicContact CE1-CB 4.42Å; Y17-D44 VanDerWaalsContact CE1-OD2 3.27Å; Y17-D44 WeakPolarHBondContact CE1-OD2 3.24Å; Y17-D44 WeakPolarHBondContact OH-CB 3.38Å; Y17-D44 PolarHBondContact OH-OD2 2.78Å; Y17-D44 VanDerWaalsContact OH-OD2 3.07Å
18L83.6Confident85.1Confident62 Ų6275.7 Ų75.733%0.32541%0.408SS..Hα-helixtrans-92.1-19.9-179.6-63.5-178.2000113.8V14 A15 I20 V33 W34 A37V14-L18 HydrophobicContact CG1-CD1 3.59Å; V14-L18 HydrophobicContact CG1-CG 4.25Å; V14-L18 WeakPolarHBondContact O-CB 3.43Å; V14-L18 VanDerWaalsContact O-CG 3.31Å; V14-L18 WeakPolarHBondContact O-CG 3.16Å; V14-L18 PolarHBondContact O-N 3.38Å; A15-L18 PolarHBondContact O-N 2.8Å; L18-I20 VanDerWaalsContact C-N 3.34Å; L18-I20 PolarHBondContact O-N 2.81Å; L18-V33 HydrophobicContact CD2-CG1 4.39Å; L18-V33 WeakPolarHBondContact O-CG1 3.21Å; L18-W34 HydrophobicContact CD2-CE3 4.14Å; L18-W34 HydrophobicContact CD2-CH2 4.16Å; L18-W34 HydrophobicContact CD2-CZ3 3.9Å; L18-A37 HydrophobicContact CD2-CB 4.17Å
19Y85.5Confident85.7Confident185 Ų18573.3 Ų73.373%0.72540%0.399SS*.  trans-79.985.1173.1-172.8-102000110.2A15A15-Y19 WeakPolarHBondContact O-CB 3.19Å; A15-Y19 PolarHBondContact O-N 3.16Å
20I84Confident86.2Confident27 Ų2776.9 Ų76.914%0.13841%0.407CS..  trans-120.2101.9177.3-62.6165.2000106.8Y17 L18 L22 V33 T36 A37Y17-I20 WeakPolarHBondContact O-CD1 3.41Å; L18-I20 VanDerWaalsContact C-N 3.34Å; L18-I20 PolarHBondContact O-N 2.81Å; I20-L22 HydrophobicContact CG2-CD2 3.8Å; I20-L22 HydrophobicContact CG2-CG 4.39Å; I20-L22 PolarHBondContact O-N 3.27Å; I20-L22 VanDerWaalsContact O-N 3.14Å; I20-V33 HydrophobicContact CB-CG2 4.43Å; I20-V33 HydrophobicContact CD1-CG1 4.36Å; I20-T36 HydrophobicContact CD1-CG2 3.68Å; I20-T36 HydrophobicContact CG2-CG2 4.04Å; I20-A37 HydrophobicContact CD1-CB 4.14Å
21P85.4Confident86.9Confident72 Ų7276.4 Ų76.447%0.46840%0.397SS..PPolyproline II helixtrans-65.8116.3176.327.1-32.3000108.7
22L88.9Confident87.5Confident30 Ų3072.1 Ų72.116%0.15737%0.372CS..PPolyproline II helixtrans-101.5147.1176.5-64.9-177.7000110I20 I26 P29 V32 V33 P238I20-L22 HydrophobicContact CG2-CD2 3.8Å; I20-L22 HydrophobicContact CG2-CG 4.39Å; I20-L22 PolarHBondContact O-N 3.27Å; I20-L22 VanDerWaalsContact O-N 3.14Å; L22-I26 HydrophobicContact CB-CD1 4.31Å; L22-I26 HydrophobicContact CD1-CG2 4.36Å; L22-I26 HydrophobicContact CD2-CD1 4.28Å; L22-P29 HydrophobicContact CD1-CB 4Å; L22-P29 WeakPolarHBondContact CD1-O 3.44Å; L22-V32 HydrophobicContact CD1-CB 3.76Å; L22-V32 HydrophobicContact CD1-CG1 3.8Å; L22-V32 HydrophobicContact CD2-CG1 4.16Å; L22-V33 HydrophobicContact CD1-CG2 3.68Å; L22-V33 HydrophobicContact CG-CG2 4.15Å; L22-P238 HydrophobicContact CD2-CB 3.8Å; L22-P238 HydrophobicContact CD2-CG 4.17Å
23P88.3Confident88Confident30 Ų3069.3 Ų69.320%0.19535%0.354CS..PPolyproline II helixtrans-56141.5168.6-23.331.3000112.6A25 I26 Y341P23-A25 PolarHBondContact O-N 3.44Å; P23-I26 HydrophobicContact CB-CG1 4.35Å; P23-I26 HydrophobicContact CG-CD1 4.25Å; P23-I26 WeakPolarHBondContact O-CB 3.33Å; P23-I26 PolarHBondContact O-N 2.72Å; P23-Y341 HydrophobicContact CB-CD1 3.9Å; P23-Y341 HydrophobicContact CB-CD2 4.37Å; P23-Y341 HydrophobicContact CB-CE1 3.34Å; P23-Y341 HydrophobicContact CB-CE2 3.89Å; P23-Y341 HydrophobicContact CB-CG 4.37Å; P23-Y341 HydrophobicContact CG-CD1 3.42Å; P23-Y341 VanDerWaalsContact CG-CD1 3.42Å; P23-Y341 HydrophobicContact CG-CD2 4.29Å; P23-Y341 HydrophobicContact CG-CE1 3.41Å; P23-Y341 VanDerWaalsContact CG-CE1 3.41Å; P23-Y341 HydrophobicContact CG-CE2 4.28Å; P23-Y341 HydrophobicContact CG-CG 3.87Å
24D89.5Confident88.4Confident172 Ų17272.5 Ų72.592%0.9236%0.361SS*.THydrogen-bonded Turntrans-59-24.1-176.4-65.6-26.2000114.2I26D24-I26 VanDerWaalsContact C-N 3.3Å; D24-I26 PolarHBondContact O-N 2.81Å
25A91.6Very high88.9Confident49 Ų4971 Ų7141%0.40535%0.348SS..THydrogen-bonded Turntrans-77.7-11.9179.800000113.7P23 E27 Y341 D369P23-A25 PolarHBondContact O-N 3.44Å; A25-E27 PolarHBondContact O-N 2.79Å; A25-Y341 HydrophobicContact CB-CE2 4.05Å; A25-Y341 WeakPolarHBondContact CB-OH 3.45Å; A25-D369 VanDerWaalsContact O-CB 3.27Å; A25-D369 WeakPolarHBondContact O-CB 3.46Å
26I91.1Very high89.3Confident10 Ų1069.1 Ų69.15%0.05133%0.331CS..  trans-71.6116.5-179.2-66.2-168.8000110.3L22 P23 D24 V32 P238 Y341 F371L22-I26 HydrophobicContact CB-CD1 4.31Å; L22-I26 HydrophobicContact CD1-CG2 4.36Å; L22-I26 HydrophobicContact CD2-CD1 4.28Å; P23-I26 HydrophobicContact CB-CG1 4.35Å; P23-I26 HydrophobicContact CG-CD1 4.25Å; P23-I26 WeakPolarHBondContact O-CB 3.33Å; P23-I26 PolarHBondContact O-N 2.72Å; D24-I26 VanDerWaalsContact C-N 3.3Å; D24-I26 PolarHBondContact O-N 2.81Å; I26-V32 HydrophobicContact CG2-CB 4.1Å; I26-V32 HydrophobicContact CG2-CG1 4.22Å; I26-V32 HydrophobicContact CG2-CG2 3.66Å; I26-P238 HydrophobicContact CD1-CG 3.83Å; I26-Y341 HydrophobicContact CD1-CD2 4.29Å; I26-Y341 HydrophobicContact CG1-CD2 4Å; I26-Y341 HydrophobicContact CG1-CE2 4.16Å; I26-F371 HydrophobicContact CD1-CD1 4.34Å
27E91.9Very high89.7Confident86 Ų8663.3 Ų63.340%0.40231%0.309SS..SBendtrans-69.3150.8171.8-68-172.4177.800112.2A25 R385A25-E27 PolarHBondContact O-N 2.79Å; E27-R385 IonicContact OE1-CZ 3.62Å; E27-R385 IonicContact OE1-NH1 4Å; E27-R385 IonicContact OE1-NH2 2.85Å; E27-R385 PolarHBondContact OE1-NH2 2.77Å; E27-R385 IonicContact OE2-CZ 3.31Å; E27-R385 IonicContact OE2-NH1 3.75Å; E27-R385 PolarHBondContact OE2-NH1 3.24Å; E27-R385 IonicContact OE2-NH2 2.65Å; E27-R385 PolarHBondContact OE2-NH2 2.94Å
28E93.2Very high90Very high35 Ų3566.8 Ų66.816%0.16433%0.325CS..SBendtrans50.850.3179.7-54.9-175.5104.600113.2W30 K31 V32 K381E28-W30 PolarHBondContact O-N 2.91Å; E28-K31 HydrophobicContact CB-CB 4.43Å; E28-K31 HydrophobicContact CB-CD 4.17Å; E28-K31 HydrophobicContact CB-CG 4.36Å; E28-K31 WeakPolarHBondContact O-CB 3.48Å; E28-K31 PolarHBondContact O-N 3.26Å; E28-K31 WeakPolarHBondContact OE1-CE 3.5Å; E28-K31 IonicContact OE1-NZ 2.8Å; E28-K31 PolarHBondContact OE1-NZ 3.28Å; E28-K31 IonicContact OE2-NZ 2.92Å; E28-V32 PolarHBondContact O-N 3.49Å; E28-K381 WeakPolarHBondContact OE2-CB 3Å; E28-K381 WeakPolarHBondContact OE2-CG 3.05Å; E28-K381 PolarHBondContact OE2-N 3.01Å
29P92.4Very high90.3Very high68 Ų6865.6 Ų65.644%0.44232%0.32SS..Hα-helixtrans-57.6-34.2-166.622.5-34.8000113L22 K31 V32 V33L22-P29 HydrophobicContact CD1-CB 4Å; L22-P29 WeakPolarHBondContact CD1-O 3.44Å; P29-K31 VanDerWaalsContact C-N 3.32Å; P29-K31 PolarHBondContact O-N 3.3Å; P29-V32 PolarHBondContact O-N 3.46Å; P29-V32 VanDerWaalsContact O-N 3.17Å; P29-V33 WeakPolarHBondContact O-CG2 3.35Å; P29-V33 PolarHBondContact O-N 2.81Å
30W91.7Very high90.6Very high162 Ų16259 Ų5961%0.61430%0.296SS*.Hα-helixtrans-62.1-36.2177.868.3-92.3000112.9E28 W34E28-W30 PolarHBondContact O-N 2.91Å; W30-W34 AromaticContact CE3-CD1 3.76Å; W30-W34 PolarHBondContact O-N 2.73Å; W30-W34 VanDerWaalsContact O-N 3.12Å
31K93Very high90.9Very high50 Ų5061.1 Ų61.122%0.21731%0.306CS..Hα-helixtrans-68.2-41.8174.9-66.5-175.1179.2169.80110.3E28 P29 W34 E35 G379 L380E28-K31 HydrophobicContact CB-CB 4.43Å; E28-K31 HydrophobicContact CB-CD 4.17Å; E28-K31 HydrophobicContact CB-CG 4.36Å; E28-K31 WeakPolarHBondContact O-CB 3.48Å; E28-K31 PolarHBondContact O-N 3.26Å; E28-K31 WeakPolarHBondContact OE1-CE 3.5Å; E28-K31 IonicContact OE1-NZ 2.8Å; E28-K31 PolarHBondContact OE1-NZ 3.28Å; E28-K31 IonicContact OE2-NZ 2.92Å; P29-K31 VanDerWaalsContact C-N 3.32Å; P29-K31 PolarHBondContact O-N 3.3Å; K31-W34 WeakPolarHBondContact O-CB 3.24Å; K31-W34 PolarHBondContact O-N 2.85Å; K31-E35 WeakPolarHBondContact O-CG 3.35Å; K31-E35 PolarHBondContact O-N 2.86Å; K31-G379 PolarHBondContact NZ-O 2.82Å; K31-L380 HydrophobicContact CB-CD2 3.47Å; K31-L380 VanDerWaalsContact CB-CD2 3.47Å; K31-L380 HydrophobicContact CD-CD2 3.67Å; K31-L380 HydrophobicContact CG-CD2 4.22Å
32V92.9Very high91.2Very high1 Ų158.1 Ų58.11%0.00629%0.288CS..Hα-helixtrans-67.1-37.1179.1-177.50000111.7L22 I26 E28 P29 E35 T36 P238 F371 L380L22-V32 HydrophobicContact CD1-CB 3.76Å; L22-V32 HydrophobicContact CD1-CG1 3.8Å; L22-V32 HydrophobicContact CD2-CG1 4.16Å; I26-V32 HydrophobicContact CG2-CB 4.1Å; I26-V32 HydrophobicContact CG2-CG1 4.22Å; I26-V32 HydrophobicContact CG2-CG2 3.66Å; E28-V32 PolarHBondContact O-N 3.49Å; P29-V32 PolarHBondContact O-N 3.46Å; P29-V32 VanDerWaalsContact O-N 3.17Å; V32-E35 PolarHBondContact O-N 2.87Å; V32-T36 VanDerWaalsContact O-CB 3.29Å; V32-T36 WeakPolarHBondContact O-CB 3.41Å; V32-T36 PolarHBondContact O-N 2.73Å; V32-T36 PolarHBondContact O-OG1 3.4Å; V32-P238 HydrophobicContact CG1-CB 3.78Å; V32-P238 HydrophobicContact CG1-CG 4.01Å; V32-F371 HydrophobicContact CB-CE1 4.39Å; V32-F371 HydrophobicContact CB-CZ 4.33Å; V32-F371 HydrophobicContact CG1-CD1 4.34Å; V32-F371 HydrophobicContact CG1-CE1 3.82Å; V32-F371 HydrophobicContact CG1-CE2 4.21Å; V32-F371 HydrophobicContact CG1-CZ 3.75Å; V32-F371 HydrophobicContact CG2-CE1 3.62Å; V32-F371 HydrophobicContact CG2-CZ 3.74Å; V32-L380 HydrophobicContact CG2-CD2 4.48Å
33V92.3Very high91.4Very high27 Ų2758 Ų5816%0.16429%0.289CS..Hα-helixtrans-60.1-45.6170.8169.10000110.3L18 I20 L22 P29 T36 A37L18-V33 HydrophobicContact CD2-CG1 4.39Å; L18-V33 WeakPolarHBondContact O-CG1 3.21Å; I20-V33 HydrophobicContact CB-CG2 4.43Å; I20-V33 HydrophobicContact CD1-CG1 4.36Å; L22-V33 HydrophobicContact CD1-CG2 3.68Å; L22-V33 HydrophobicContact CG-CG2 4.15Å; P29-V33 WeakPolarHBondContact O-CG2 3.35Å; P29-V33 PolarHBondContact O-N 2.81Å; V33-T36 PolarHBondContact O-N 2.82Å; V33-A37 WeakPolarHBondContact O-CB 3.31Å; V33-A37 PolarHBondContact O-N 3.16Å
34W90.4Very high91.6Very high152 Ų15259 Ų5958%0.57629%0.293SS*.Hα-helixtrans-60.9-47.6177.3-81118.2000112.9L18 W30 K31 T36 A37 F38L18-W34 HydrophobicContact CD2-CE3 4.14Å; L18-W34 HydrophobicContact CD2-CH2 4.16Å; L18-W34 HydrophobicContact CD2-CZ3 3.9Å; W30-W34 AromaticContact CE3-CD1 3.76Å; W30-W34 PolarHBondContact O-N 2.73Å; W30-W34 VanDerWaalsContact O-N 3.12Å; K31-W34 WeakPolarHBondContact O-CB 3.24Å; K31-W34 PolarHBondContact O-N 2.85Å; W34-T36 VanDerWaalsContact C-N 3.35Å; W34-T36 PolarHBondContact O-N 3.33Å; W34-A37 PolarHBondContact O-N 3.02Å; W34-F38 WeakPolarHBondContact O-CB 3.25Å; W34-F38 PolarHBondContact O-N 3.36Å
35E90.3Very high91.7Very high51 Ų5155.5 Ų55.524%0.23827%0.273CS..Hα-helixtrans-62.2-43.9177.8-67.1-62.8169.900111.4K31 V32 A37 F38 V39 F377K31-E35 WeakPolarHBondContact O-CG 3.35Å; K31-E35 PolarHBondContact O-N 2.86Å; V32-E35 PolarHBondContact O-N 2.87Å; E35-A37 PolarHBondContact O-N 2.93Å; E35-F38 PolarHBondContact O-N 3.37Å; E35-V39 WeakPolarHBondContact O-CG2 3.13Å; E35-V39 PolarHBondContact O-N 3.4Å; E35-F377 HydrophobicContact CB-CD1 4.28Å; E35-F377 HydrophobicContact CB-CE1 4.04Å; E35-F377 HydrophobicContact CB-CZ 4.29Å; E35-F377 VanDerWaalsContact CD-CD1 3.5Å; E35-F377 HydrophobicContact CG-CD1 3.86Å; E35-F377 HydrophobicContact CG-CE1 4.11Å; E35-F377 HydrophobicContact CG-CG 4.24Å; E35-F377 WeakPolarHBondContact OE2-CD1 3.4Å; E35-F377 WeakPolarHBondContact OE2-CE1 3.34Å
36T91.3Very high91.9Very high15 Ų1553.1 Ų53.19%0.09225%0.254CS..Hα-helixtrans-67.3-38.6178.8-550000111.6I20 V32 V33 W34 V39 K40 P238I20-T36 HydrophobicContact CD1-CG2 3.68Å; I20-T36 HydrophobicContact CG2-CG2 4.04Å; V32-T36 VanDerWaalsContact O-CB 3.29Å; V32-T36 WeakPolarHBondContact O-CB 3.41Å; V32-T36 PolarHBondContact O-N 2.73Å; V32-T36 PolarHBondContact O-OG1 3.4Å; V33-T36 PolarHBondContact O-N 2.82Å; W34-T36 VanDerWaalsContact C-N 3.35Å; W34-T36 PolarHBondContact O-N 3.33Å; T36-V39 PolarHBondContact O-N 3.49Å; T36-K40 VanDerWaalsContact O-CB 3.27Å; T36-K40 WeakPolarHBondContact O-CB 3.43Å; T36-K40 PolarHBondContact O-N 3.11Å; T36-P238 HydrophobicContact CG2-CB 4.35Å; T36-P238 WeakPolarHBondContact OG1-CB 3.37Å
37A91.4Very high92Very high2 Ų255.3 Ų55.32%0.01727%0.27CS..Hα-helixtrans-63.8-42.5174.900000111.1Y17 L18 I20 V33 W34 E35 K40 I41Y17-A37 WeakPolarHBondContact O-CB 3.43Å; L18-A37 HydrophobicContact CD2-CB 4.17Å; I20-A37 HydrophobicContact CD1-CB 4.14Å; V33-A37 WeakPolarHBondContact O-CB 3.31Å; V33-A37 PolarHBondContact O-N 3.16Å; W34-A37 PolarHBondContact O-N 3.02Å; E35-A37 PolarHBondContact O-N 2.93Å; A37-K40 PolarHBondContact O-N 3.49Å; A37-I41 WeakPolarHBondContact O-CB 3.42Å; A37-I41 WeakPolarHBondContact O-CD1 3.35Å; A37-I41 WeakPolarHBondContact O-CG1 3.49Å; A37-I41 PolarHBondContact O-N 2.8Å
38F90.5Very high92Very high117 Ų11757.1 Ų57.151%0.51328%0.277SS..Hα-helixtrans-59.9-47.5176.2-178.2-97.1000111.7W34 E35 I41 G42W34-F38 WeakPolarHBondContact O-CB 3.25Å; W34-F38 PolarHBondContact O-N 3.36Å; E35-F38 PolarHBondContact O-N 3.37Å; F38-I41 PolarHBondContact O-N 2.8Å; F38-G42 PolarHBondContact O-N 3.49Å
39V91Very high92Very high37 Ų3755.9 Ų55.922%0.22427%0.273CS..Hα-helixtrans-60-48.2175.6173.10000110.7E35 T36 I41 G42 T43 V239 L244E35-V39 WeakPolarHBondContact O-CG2 3.13Å; E35-V39 PolarHBondContact O-N 3.4Å; T36-V39 PolarHBondContact O-N 3.49Å; V39-I41 PolarHBondContact O-N 2.83Å; V39-G42 PolarHBondContact O-N 3.01Å; V39-T43 HydrophobicContact CG1-CG2 4.37Å; V39-T43 WeakPolarHBondContact O-CG2 3.29Å; V39-T43 PolarHBondContact O-N 3.29Å; V39-T43 PolarHBondContact O-OG1 2.95Å; V39-V239 HydrophobicContact CG2-CG1 4.32Å; V39-L244 HydrophobicContact CG1-CD2 4.48Å
40K91.7Very high92.1Very high47 Ų4755 Ų5520%0.20426%0.263CS..Hα-helixtrans-61-43.5-179.7-171.8-178.2168.9-175.30112.4Y16 Y17 T36 A37 T43 D44Y16-K40 VanDerWaalsContact CE1-NZ 3.27Å; Y16-K40 VanDerWaalsContact CZ-CE 3.43Å; Y16-K40 PolarHBondContact O-NZ 2.78Å; Y16-K40 WeakPolarHBondContact OH-CE 3.27Å; Y17-K40 HydrophobicContact CD1-CB 4.19Å; Y17-K40 HydrophobicContact CD1-CD 3.78Å; Y17-K40 HydrophobicContact CD1-CG 3.85Å; Y17-K40 HydrophobicContact CE1-CB 4.39Å; Y17-K40 HydrophobicContact CE1-CD 4.15Å; Y17-K40 HydrophobicContact CE1-CG 3.84Å; T36-K40 VanDerWaalsContact O-CB 3.27Å; T36-K40 WeakPolarHBondContact O-CB 3.43Å; T36-K40 PolarHBondContact O-N 3.11Å; A37-K40 PolarHBondContact O-N 3.49Å; K40-T43 WeakPolarHBondContact CA-OG1 3.45Å; K40-T43 PolarHBondContact O-N 3.26Å; K40-T43 PolarHBondContact O-OG1 2.82Å; K40-D44 WeakPolarHBondContact O-CB 3.05Å; K40-D44 VanDerWaalsContact O-CG 3.26Å; K40-D44 PolarHBondContact O-N 2.86Å
41I90.8Very high92.2Very high70 Ų7054.1 Ų54.136%0.35927%0.27SS..Hα-helixtrans-61.7-46.5175.2-69.4164.1000110Y17 A37 F38 V39 T43 D44 L45Y17-I41 HydrophobicContact CD1-CD1 4.36Å; Y17-I41 HydrophobicContact CD1-CG1 3.43Å; Y17-I41 VanDerWaalsContact CD1-CG1 3.43Å; Y17-I41 HydrophobicContact CD2-CG1 4.13Å; Y17-I41 HydrophobicContact CE1-CB 4.31Å; Y17-I41 HydrophobicContact CE1-CG1 3.58Å; Y17-I41 HydrophobicContact CE2-CG1 4.29Å; Y17-I41 HydrophobicContact CG-CD1 4.26Å; Y17-I41 HydrophobicContact CG-CG1 3.73Å; A37-I41 WeakPolarHBondContact O-CB 3.42Å; A37-I41 WeakPolarHBondContact O-CD1 3.35Å; A37-I41 WeakPolarHBondContact O-CG1 3.49Å; A37-I41 PolarHBondContact O-N 2.8Å; F38-I41 PolarHBondContact O-N 2.8Å; V39-I41 PolarHBondContact O-N 2.83Å; I41-T43 PolarHBondContact O-N 3.11Å; I41-D44 PolarHBondContact O-N 2.7Å; I41-L45 HydrophobicContact CG2-CD1 3.81Å; I41-L45 HydrophobicContact CG2-CG 4.33Å; I41-L45 WeakPolarHBondContact O-CB 3.31Å; I41-L45 VanDerWaalsContact O-CG 3.25Å; I41-L45 WeakPolarHBondContact O-CG 3.4Å; I41-L45 PolarHBondContact O-N 2.97Å
42G92.1Very high92.3Very high9 Ų956.4 Ų56.49%0.09328%0.284CS..Hα-helixtrans-58.3-47.9177.300000112.2F38 V39 L45 A46 I61F38-G42 PolarHBondContact O-N 3.49Å; V39-G42 PolarHBondContact O-N 3.01Å; G42-L45 PolarHBondContact O-N 3.34Å; G42-A46 WeakPolarHBondContact O-CB 3.26Å; G42-A46 PolarHBondContact O-N 3.34Å; G42-I61 VanDerWaalsContact C-CD1 3.41Å; G42-I61 WeakPolarHBondContact O-CD1 3.37Å
43T92.9Very high92.4Very high27 Ų2759.6 Ų59.617%0.16632%0.317CS..Hα-helixtrans-65.3-41.8178.756.10000112.4V39 K40 I41 A46 S47 F57 L244V39-T43 HydrophobicContact CG1-CG2 4.37Å; V39-T43 WeakPolarHBondContact O-CG2 3.29Å; V39-T43 PolarHBondContact O-N 3.29Å; V39-T43 PolarHBondContact O-OG1 2.95Å; K40-T43 WeakPolarHBondContact CA-OG1 3.45Å; K40-T43 PolarHBondContact O-N 3.26Å; K40-T43 PolarHBondContact O-OG1 2.82Å; I41-T43 PolarHBondContact O-N 3.11Å; T43-A46 PolarHBondContact O-N 3.39Å; T43-S47 WeakPolarHBondContact O-CB 3.33Å; T43-S47 PolarHBondContact O-N 3.35Å; T43-S47 PolarHBondContact O-OG 2.84Å; T43-F57 HydrophobicContact CG2-CZ 3.94Å; T43-F57 WeakPolarHBondContact O-CE2 3.32Å; T43-L244 HydrophobicContact CG2-CD1 4.23Å; T43-L244 HydrophobicContact CG2-CD2 4.24Å
44D91.8Very high92.4Very high53 Ų5364.4 Ų64.428%0.28334%0.34SS..Hα-helixtrans-67.3-39.3179.7-72.7-6.5000110.9Y17 K40 I41 S47 F48Y17-D44 HydrophobicContact CE1-CB 4.42Å; Y17-D44 VanDerWaalsContact CE1-OD2 3.27Å; Y17-D44 WeakPolarHBondContact CE1-OD2 3.24Å; Y17-D44 WeakPolarHBondContact OH-CB 3.38Å; Y17-D44 PolarHBondContact OH-OD2 2.78Å; Y17-D44 VanDerWaalsContact OH-OD2 3.07Å; K40-D44 WeakPolarHBondContact O-CB 3.05Å; K40-D44 VanDerWaalsContact O-CG 3.26Å; K40-D44 PolarHBondContact O-N 2.86Å; I41-D44 PolarHBondContact O-N 2.7Å; D44-S47 PolarHBondContact O-N 3.08Å; D44-F48 VanDerWaalsContact O-CB 3.31Å; D44-F48 WeakPolarHBondContact O-CB 3.29Å; D44-F48 PolarHBondContact O-N 3.01Å
45L91.5Very high92.6Very high97 Ų9759 Ų5951%0.50833%0.326SS..Hα-helixtrans-63.1-44.3172.7-74.3172.5000112.1I41 G42 F48 G49I41-L45 HydrophobicContact CG2-CD1 3.81Å; I41-L45 HydrophobicContact CG2-CG 4.33Å; I41-L45 WeakPolarHBondContact O-CB 3.31Å; I41-L45 VanDerWaalsContact O-CG 3.25Å; I41-L45 WeakPolarHBondContact O-CG 3.4Å; I41-L45 PolarHBondContact O-N 2.97Å; G42-L45 PolarHBondContact O-N 3.34Å; L45-F48 PolarHBondContact O-N 3.25Å; L45-G49 PolarHBondContact O-N 2.74Å
46A94.9Very high92.9Very high0 Ų058.4 Ų58.40%032%0.323CS..Hα-helixtrans-64.6-43.5177.400000112G42 T43 F48 G49 E50 F57 T60 I61G42-A46 WeakPolarHBondContact O-CB 3.26Å; G42-A46 PolarHBondContact O-N 3.34Å; T43-A46 PolarHBondContact O-N 3.39Å; A46-F48 VanDerWaalsContact C-N 3.33Å; A46-F48 PolarHBondContact O-N 2.94Å; A46-G49 PolarHBondContact O-N 3.43Å; A46-E50 WeakPolarHBondContact O-CB 3.46Å; A46-E50 PolarHBondContact O-N 2.72Å; A46-F57 HydrophobicContact CB-CD2 3.52Å; A46-F57 HydrophobicContact CB-CE2 3.78Å; A46-F57 HydrophobicContact CB-CG 4Å; A46-F57 HydrophobicContact CB-CZ 4.46Å; A46-T60 HydrophobicContact CB-CG2 3.95Å; A46-I61 HydrophobicContact CB-CD1 3.57Å; A46-I61 HydrophobicContact CB-CG1 3.85Å
47S93.8Very high93.1Very high56 Ų5658.2 Ų58.239%0.39232%0.321SS..Hα-helixtrans-63-40174.6-70.30000112T43 D44 L51 F57T43-S47 WeakPolarHBondContact O-CB 3.33Å; T43-S47 PolarHBondContact O-N 3.35Å; T43-S47 PolarHBondContact O-OG 2.84Å; D44-S47 PolarHBondContact O-N 3.08Å; S47-L51 VanDerWaalsContact O-CB 3.29Å; S47-L51 WeakPolarHBondContact O-CB 3.41Å; S47-L51 PolarHBondContact O-N 3.32Å; S47-F57 WeakPolarHBondContact OG-CE2 3.33Å
48F92.5Very high93.3Very high124 Ų12458.1 Ų58.154%0.54432%0.32SS..Hα-helixtrans-66.7-43.3176.2-175.6-107000112.1D44 L45 A46 L51 L52D44-F48 VanDerWaalsContact O-CB 3.31Å; D44-F48 WeakPolarHBondContact O-CB 3.29Å; D44-F48 PolarHBondContact O-N 3.01Å; L45-F48 PolarHBondContact O-N 3.25Å; A46-F48 VanDerWaalsContact C-N 3.33Å; A46-F48 PolarHBondContact O-N 2.94Å; F48-L51 PolarHBondContact O-N 2.99Å; F48-L52 HydrophobicContact CD1-CD1 4Å; F48-L52 HydrophobicContact CE1-CD1 3.4Å; F48-L52 HydrophobicContact CE1-CG 4.34Å; F48-L52 HydrophobicContact CE2-CD1 4.21Å; F48-L52 HydrophobicContact CE2-CG 4.45Å; F48-L52 HydrophobicContact CZ-CD1 3.53Å; F48-L52 HydrophobicContact CZ-CG 4.24Å; F48-L52 WeakPolarHBondContact O-CG 3.31Å; F48-L52 PolarHBondContact O-N 2.75Å; F48-L52 VanDerWaalsContact O-N 3.08Å
49G93.5Very high93.6Very high8 Ų857.1 Ų57.18%0.08232%0.317CS..Hα-helixtrans-61.3-43.617500000112.8L45 A46 L52 G53 I54L45-G49 PolarHBondContact O-N 2.74Å; A46-G49 PolarHBondContact O-N 3.43Å; G49-L52 PolarHBondContact O-N 3.42Å; G49-G53 PolarHBondContact O-N 2.89Å; G49-I54 PolarHBondContact O-N 2.9Å
50E95Very high93.7Very high50 Ų5056.6 Ų56.623%0.23431%0.314CS..Hα-helixtrans-63.1-44.3175.3-176173.8-100.200111.5A46 L52 G53 S55 H56 F57 R247 R257A46-E50 WeakPolarHBondContact O-CB 3.46Å; A46-E50 PolarHBondContact O-N 2.72Å; E50-L52 VanDerWaalsContact C-N 3.26Å; E50-L52 PolarHBondContact O-N 2.92Å; E50-G53 PolarHBondContact O-N 3.02Å; E50-S55 VanDerWaalsContact CA-O 3.24Å; E50-S55 WeakPolarHBondContact CA-O 3.4Å; E50-S55 PolarHBondContact N-O 2.92Å; E50-H56 IonicContact OE1-CD2 3.68Å; E50-H56 IonicContact OE1-NE2 3.58Å; E50-F57 HydrophobicContact CB-CB 4.39Å; E50-F57 WeakPolarHBondContact OE1-CB 3.48Å; E50-F57 PolarHBondContact OE1-N 2.98Å; E50-R247 IonicContact OE1-NH2 3Å; E50-R247 PolarHBondContact OE1-NH2 2.73Å; E50-R247 IonicContact OE2-NH2 3.45Å; E50-R257 IonicContact OE2-NH1 3.71Å; E50-R257 PolarHBondContact OE2-NH1 3.09Å; E50-R257 VanDerWaalsContact OE2-NH1 3.13Å
51L93.8Very high93.9Very high143 Ų14355.2 Ų55.275%0.74931%0.308SS*.Hα-helixtrans-60.2-35.5177.4-179.665.1000112.5S47 F48 G53S47-L51 VanDerWaalsContact O-CB 3.29Å; S47-L51 WeakPolarHBondContact O-CB 3.41Å; S47-L51 PolarHBondContact O-N 3.32Å; F48-L51 PolarHBondContact O-N 2.99Å; L51-G53 VanDerWaalsContact C-N 3.3Å
52L95Very high94.1Very high99 Ų9954.5 Ų54.552%0.51830%0.304SS..THydrogen-bonded Turntrans-83.3-3.2176.3-65.6-176.9000113.7F48 G49 E50 I54F48-L52 HydrophobicContact CD1-CD1 4Å; F48-L52 HydrophobicContact CE1-CD1 3.4Å; F48-L52 HydrophobicContact CE1-CG 4.34Å; F48-L52 HydrophobicContact CE2-CD1 4.21Å; F48-L52 HydrophobicContact CE2-CG 4.45Å; F48-L52 HydrophobicContact CZ-CD1 3.53Å; F48-L52 HydrophobicContact CZ-CG 4.24Å; F48-L52 WeakPolarHBondContact O-CG 3.31Å; F48-L52 PolarHBondContact O-N 2.75Å; F48-L52 VanDerWaalsContact O-N 3.08Å; G49-L52 PolarHBondContact O-N 3.42Å; E50-L52 VanDerWaalsContact C-N 3.26Å; E50-L52 PolarHBondContact O-N 2.92Å; L52-I54 VanDerWaalsContact C-N 3.29Å; L52-I54 HydrophobicContact CB-CD1 3.89Å; L52-I54 HydrophobicContact CB-CG1 3.91Å; L52-I54 HydrophobicContact CD1-CD1 3.93Å; L52-I54 PolarHBondContact O-N 3.28Å
53G93.7Very high94.2Very high68 Ų6859.2 Ų59.270%0.70133%0.326SS*.THydrogen-bonded Turntrans70.821.2-177.200000114.2G49 E50 L51G49-G53 PolarHBondContact O-N 2.89Å; E50-G53 PolarHBondContact O-N 3.02Å; L51-G53 VanDerWaalsContact C-N 3.3Å
54I93.5Very high94.2Very high127 Ų12761 Ų6165%0.65133%0.334SS*.SBendtrans-77.3-46-178.1-63.7171.9000111G49 L52G49-I54 PolarHBondContact O-N 2.9Å; L52-I54 VanDerWaalsContact C-N 3.29Å; L52-I54 HydrophobicContact CB-CD1 3.89Å; L52-I54 HydrophobicContact CB-CG1 3.91Å; L52-I54 HydrophobicContact CD1-CD1 3.93Å; L52-I54 PolarHBondContact O-N 3.28Å
55S93.8Very high94.2Very high40 Ų4060.7 Ų60.728%0.2833%0.332SS..SBendtrans-158.7155.8-178.253.50000110.3E50 T60E50-S55 VanDerWaalsContact CA-O 3.24Å; E50-S55 WeakPolarHBondContact CA-O 3.4Å; E50-S55 PolarHBondContact N-O 2.92Å; S55-T60 PolarHBondContact OG-OG1 2.98Å
56H95.8Very high94.3Very high38 Ų3858.2 Ų58.218%0.17632%0.323CS..  trans-68.6144174.1-174.1-96.1000110.9E50 M58 E59 T60 R247 E251E50-H56 IonicContact OE1-CD2 3.68Å; E50-H56 IonicContact OE1-NE2 3.58Å; H56-M58 VanDerWaalsContact C-N 3.29Å; H56-M58 PolarHBondContact ND1-N 3.38Å; H56-M58 PolarHBondContact O-N 3.05Å; H56-E59 HydrophobicContact CB-CB 4.4Å; H56-E59 HydrophobicContact CB-CG 4.06Å; H56-E59 WeakPolarHBondContact CB-OE2 2.76Å; H56-E59 PolarHBondContact O-N 3.04Å; H56-T60 PolarHBondContact O-N 3.25Å; H56-T60 VanDerWaalsContact O-N 3.12Å; H56-T60 PolarHBondContact O-OG1 2.72Å; H56-R247 PolarHBondContact NE2-NH2 3.23Å; H56-E251 VanDerWaalsContact CE1-CD 3.45Å; H56-E251 IonicContact CE1-OE1 2.81Å; H56-E251 PolarHBondContact CE1-OE1 2.9Å; H56-E251 IonicContact CE1-OE2 3.26Å; H56-E251 PolarHBondContact CE1-OE2 3.26Å; H56-E251 VanDerWaalsContact CE1-OE2 3.3Å; H56-E251 IonicContact NE2-OE1 3.38Å; H56-E251 PolarHBondContact NE2-OE1 2.93Å; H56-E251 IonicContact NE2-OE2 3.3Å
57F96.2Very high94.2Very high10 Ų1066 Ų664%0.04436%0.357CS..Hα-helixtrans-49-49.3-176.7175.6-84.8000112.5T43 A46 S47 E50 E59 T60 I61 L244 R247T43-F57 HydrophobicContact CG2-CZ 3.94Å; T43-F57 WeakPolarHBondContact O-CE2 3.32Å; A46-F57 HydrophobicContact CB-CD2 3.52Å; A46-F57 HydrophobicContact CB-CE2 3.78Å; A46-F57 HydrophobicContact CB-CG 4Å; A46-F57 HydrophobicContact CB-CZ 4.46Å; S47-F57 WeakPolarHBondContact OG-CE2 3.33Å; E50-F57 HydrophobicContact CB-CB 4.39Å; E50-F57 WeakPolarHBondContact OE1-CB 3.48Å; E50-F57 PolarHBondContact OE1-N 2.98Å; F57-E59 PolarHBondContact O-N 3.35Å; F57-T60 PolarHBondContact O-N 2.9Å; F57-I61 HydrophobicContact CD1-CG1 4.41Å; F57-I61 HydrophobicContact CE1-CG1 4.09Å; F57-I61 HydrophobicContact CZ-CG1 4.38Å; F57-I61 WeakPolarHBondContact O-CG1 3.32Å; F57-I61 PolarHBondContact O-N 2.88Å; F57-L244 HydrophobicContact CE1-CD1 4.19Å; F57-L244 HydrophobicContact CZ-CD1 4.09Å; F57-R247 HydrophobicContact CD1-CG 4.41Å; F57-R247 HydrophobicContact CE1-CG 4.3Å
58M96.3Very high94.2Very high0 Ų067.3 Ų67.30%036%0.357CS..Hα-helixtrans-67.7-36.2-177.4-67.5-56169.200113H56 T60 I61 Q62 C115 L116 R247 F248 E251H56-M58 VanDerWaalsContact C-N 3.29Å; H56-M58 PolarHBondContact ND1-N 3.38Å; H56-M58 PolarHBondContact O-N 3.05Å; M58-T60 VanDerWaalsContact C-N 3.32Å; M58-T60 PolarHBondContact O-N 2.91Å; M58-I61 PolarHBondContact O-N 3.17Å; M58-Q62 WeakPolarHBondContact O-CB 3.17Å; M58-Q62 WeakPolarHBondContact O-CG 3.11Å; M58-Q62 PolarHBondContact O-N 3.27Å; M58-C115 HydrophobicContact CB-CB 4.42Å; M58-C115 HydrophobicContact CE-CB 4.41Å; M58-C115 HydrophobicContact CG-CB 3.99Å; M58-C115 HydrophobicContact SD-CB 3.56Å; M58-C115 VanDerWaalsContact SD-CB 3.56Å; M58-L116 HydrophobicContact SD-CD2 4.49Å; M58-R247 HydrophobicContact CE-CG 3.59Å; M58-F248 HydrophobicContact CE-CD1 3.61Å; M58-F248 HydrophobicContact CE-CE1 3.82Å; M58-F248 HydrophobicContact SD-CD1 4.12Å; M58-F248 HydrophobicContact SD-CE1 3.87Å; M58-E251 HydrophobicContact CE-CB 4.08Å; M58-E251 HydrophobicContact CE-CG 3.66Å; M58-E251 HydrophobicContact CG-CB 4.4Å; M58-E251 HydrophobicContact CG-CG 4Å
59E95.6Very high94.4Very high97 Ų9766 Ų6645%0.45335%0.352SS..Hα-helixtrans-67-36.8178.3-64.8176154.200111H56 F57 Q62 L63 P148H56-E59 HydrophobicContact CB-CB 4.4Å; H56-E59 HydrophobicContact CB-CG 4.06Å; H56-E59 WeakPolarHBondContact CB-OE2 2.76Å; H56-E59 PolarHBondContact O-N 3.04Å; F57-E59 PolarHBondContact O-N 3.35Å; E59-Q62 PolarHBondContact O-N 3.31Å; E59-L63 WeakPolarHBondContact O-CB 3.31Å; E59-L63 PolarHBondContact O-N 2.87Å; E59-P148 HydrophobicContact CG-CG 4.18Å
60T94.8Very high94.6Very high25 Ų2567.4 Ų67.415%0.15336%0.359CS..Hα-helixtrans-61.8-47173.2-51.20000111.6A46 S55 H56 F57 M58 L63 L64A46-T60 HydrophobicContact CB-CG2 3.95Å; S55-T60 PolarHBondContact OG-OG1 2.98Å; H56-T60 PolarHBondContact O-N 3.25Å; H56-T60 VanDerWaalsContact O-N 3.12Å; H56-T60 PolarHBondContact O-OG1 2.72Å; F57-T60 PolarHBondContact O-N 2.9Å; M58-T60 VanDerWaalsContact C-N 3.32Å; M58-T60 PolarHBondContact O-N 2.91Å; T60-L63 PolarHBondContact O-N 3.35Å; T60-L64 WeakPolarHBondContact O-CG 3.42Å; T60-L64 PolarHBondContact O-N 3.24Å; T60-L64 VanDerWaalsContact O-N 3.08Å
61I94.7Very high94.8Very high18 Ų1869 Ų699%0.09237%0.374CS..Hα-helixtrans-67.5-39.8179.2-55.6-61.9000111G42 A46 F57 M58 L63 L64 M65 L116G42-I61 VanDerWaalsContact C-CD1 3.41Å; G42-I61 WeakPolarHBondContact O-CD1 3.37Å; A46-I61 HydrophobicContact CB-CD1 3.57Å; A46-I61 HydrophobicContact CB-CG1 3.85Å; F57-I61 HydrophobicContact CD1-CG1 4.41Å; F57-I61 HydrophobicContact CE1-CG1 4.09Å; F57-I61 HydrophobicContact CZ-CG1 4.38Å; F57-I61 WeakPolarHBondContact O-CG1 3.32Å; F57-I61 PolarHBondContact O-N 2.88Å; M58-I61 PolarHBondContact O-N 3.17Å; I61-L63 VanDerWaalsContact C-N 3.3Å; I61-L63 PolarHBondContact O-N 2.85Å; I61-L64 HydrophobicContact CD1-CD1 4.36Å; I61-L64 PolarHBondContact O-N 2.97Å; I61-L64 VanDerWaalsContact O-N 3.15Å; I61-M65 HydrophobicContact CG2-CG 4.27Å; I61-M65 HydrophobicContact CG2-SD 4.16Å; I61-M65 WeakPolarHBondContact O-CG 3.33Å; I61-M65 PolarHBondContact O-N 2.86Å; I61-L116 HydrophobicContact CB-CD1 4.49Å; I61-L116 HydrophobicContact CB-CD2 3.76Å; I61-L116 HydrophobicContact CG2-CD1 3.57Å; I61-L116 HydrophobicContact CG2-CD2 3.58Å; I61-L116 HydrophobicContact CG2-CG 4.24Å
62Q95.3Very high94.9Very high56 Ų5664.5 Ų64.526%0.26235%0.353SS..Hα-helixtrans-56.4-45.1173.8-75.1170.51400111.4M58 E59 L64 M65 S66 C115 L116 A147M58-Q62 WeakPolarHBondContact O-CB 3.17Å; M58-Q62 WeakPolarHBondContact O-CG 3.11Å; M58-Q62 PolarHBondContact O-N 3.27Å; E59-Q62 PolarHBondContact O-N 3.31Å; Q62-L64 VanDerWaalsContact C-N 3.35Å; Q62-L64 PolarHBondContact O-N 3.3Å; Q62-M65 PolarHBondContact O-N 3.45Å; Q62-S66 PolarHBondContact O-N 3.46Å; Q62-C115 VanDerWaalsContact CG-O 3.28Å; Q62-C115 WeakPolarHBondContact CG-O 3.39Å; Q62-C115 PolarHBondContact NE2-O 3.37Å; Q62-L116 HydrophobicContact CG-CD2 3.82Å; Q62-A147 PolarHBondContact NE2-O 3.3Å
63L94Very high95Very high108 Ų10863.9 Ų63.957%0.56535%0.354SS*.Hα-helixtrans-62.3-40.4176.317862.4000112.3E59 T60 I61 M65 S66 F67E59-L63 WeakPolarHBondContact O-CB 3.31Å; E59-L63 PolarHBondContact O-N 2.87Å; T60-L63 PolarHBondContact O-N 3.35Å; I61-L63 VanDerWaalsContact C-N 3.3Å; I61-L63 PolarHBondContact O-N 2.85Å; L63-M65 VanDerWaalsContact C-N 3.3Å; L63-M65 PolarHBondContact O-N 3.02Å; L63-S66 PolarHBondContact O-OG 2.86Å; L63-F67 VanDerWaalsContact O-CD2 3.22Å; L63-F67 WeakPolarHBondContact O-CD2 3.33Å; L63-F67 WeakPolarHBondContact O-CE2 3.45Å
64L92.3Very high95.2Very high63 Ų6363 Ų6333%0.3334%0.337SS..Hα-helixtrans-65.2-36.7176.4-69.5173.7000111.8T60 I61 Q62T60-L64 WeakPolarHBondContact O-CG 3.42Å; T60-L64 PolarHBondContact O-N 3.24Å; T60-L64 VanDerWaalsContact O-N 3.08Å; I61-L64 HydrophobicContact CD1-CD1 4.36Å; I61-L64 PolarHBondContact O-N 2.97Å; I61-L64 VanDerWaalsContact O-N 3.15Å; Q62-L64 VanDerWaalsContact C-N 3.35Å; Q62-L64 PolarHBondContact O-N 3.3Å
65M92.4Very high95.4Very high47 Ų4759.1 Ų59.123%0.23232%0.318CS..Hα-helixtrans-77.7-26.4-179.3-67.6-170.783.200113.4I61 Q62 L63 F67 Q68 L116I61-M65 HydrophobicContact CG2-CG 4.27Å; I61-M65 HydrophobicContact CG2-SD 4.16Å; I61-M65 WeakPolarHBondContact O-CG 3.33Å; I61-M65 PolarHBondContact O-N 2.86Å; Q62-M65 PolarHBondContact O-N 3.45Å; L63-M65 VanDerWaalsContact C-N 3.3Å; L63-M65 PolarHBondContact O-N 3.02Å; M65-F67 PolarHBondContact O-N 2.91Å; M65-F67 VanDerWaalsContact O-N 3.16Å; M65-Q68 VanDerWaalsContact O-CB 3.27Å; M65-Q68 WeakPolarHBondContact O-CB 3.37Å; M65-Q68 PolarHBondContact O-N 2.88Å; M65-L116 HydrophobicContact SD-CB 3.66Å; M65-L116 HydrophobicContact SD-CD1 3.79Å; M65-L116 HydrophobicContact SD-CD2 4.37Å; M65-L116 HydrophobicContact SD-CG 4.14Å
66S93.8Very high95.5Very high45 Ų4564.2 Ų64.232%0.31534%0.337SS..Hα-helixtrans-62.8-22.8178.472.50000113.2Q62 L63 Q68 E69Q62-S66 PolarHBondContact O-N 3.46Å; L63-S66 PolarHBondContact O-OG 2.86Å; S66-Q68 PolarHBondContact O-N 2.82Å; S66-Q68 VanDerWaalsContact O-N 3.14Å; S66-E69 VanDerWaalsContact O-CB 3.31Å; S66-E69 WeakPolarHBondContact O-CB 3.2Å; S66-E69 PolarHBondContact O-N 2.88Å
67F93.6Very high95.5Very high164 Ų16466.4 Ų66.472%0.71935%0.347SS*.THydrogen-bonded Turntrans-64.2-12.9170.7-70.1-80.3000113.8L63 M65L63-F67 VanDerWaalsContact O-CD2 3.22Å; L63-F67 WeakPolarHBondContact O-CD2 3.33Å; L63-F67 WeakPolarHBondContact O-CE2 3.45Å; M65-F67 PolarHBondContact O-N 2.91Å; M65-F67 VanDerWaalsContact O-N 3.16Å
68Q93.1Very high95.6Very high84 Ų8466 Ų6639%0.39335%0.345SS..THydrogen-bonded Turntrans-92.2-2.3174.7-55.1-175.8-37.600112.6M65 S66 F122M65-Q68 VanDerWaalsContact O-CB 3.27Å; M65-Q68 WeakPolarHBondContact O-CB 3.37Å; M65-Q68 PolarHBondContact O-N 2.88Å; S66-Q68 PolarHBondContact O-N 2.82Å; S66-Q68 VanDerWaalsContact O-N 3.14Å; Q68-F122 WeakPolarHBondContact O-CB 3.22Å; Q68-F122 PolarHBondContact O-N 2.87Å
69E97.2Very high95.7Very high95 Ų9568.1 Ų68.144%0.44436%0.358SS..BIsolated β-bridgetrans-72.6138.3178.7-69.9-175.4164.400112.2S66 S118 A120S66-E69 VanDerWaalsContact O-CB 3.31Å; S66-E69 WeakPolarHBondContact O-CB 3.2Å; S66-E69 PolarHBondContact O-N 2.88Å; E69-S118 WeakPolarHBondContact OE1-CB 3.31Å; E69-S118 PolarHBondContact OE1-OG 3.28Å; E69-A120 CarbonylContact C-O 3.59Å; E69-A120 WeakPolarHBondContact CA-O 3.19Å; E69-A120 HydrophobicContact CB-CB 4.02Å; E69-A120 HydrophobicContact CG-CB 3.88Å
70V97.7Very high95.9Very high38 Ų3863.8 Ų63.823%0.2334%0.339CS..  trans-116.1145.2174.6-61.90000110.6R91 A120 F122 D125V70-R91 PolarHBondContact O-NH1 3.41Å; V70-R91 PolarHBondContact O-NH2 3Å; V70-A120 WeakPolarHBondContact CG2-O 3.34Å; V70-A120 PolarHBondContact N-O 3.06Å; V70-F122 HydrophobicContact CG1-CB 4.15Å; V70-F122 HydrophobicContact CG1-CD2 4.02Å; V70-D125 HydrophobicContact CG2-CB 3.69Å
71P97.5Very high96Very high85 Ų8565.9 Ų65.955%0.55235%0.348SS*.  trans-63.8158.4175.627.9-35.3000111.3T73P71-T73 PolarHBondContact O-N 2.92Å
72P97.1Very high96.2Very high48 Ų4869.9 Ų69.931%0.31237%0.366SS..  trans-74.857.917833.5-37.9000111.9V80 E82P72-V80 HydrophobicContact CB-CG1 3.87Å; P72-E82 HydrophobicContact CB-CG 3.91Å; P72-E82 HydrophobicContact CG-CG 4.06Å
73T97.4Very high96.3Very high85 Ų8570.2 Ų70.252%0.52137%0.372SS..  trans-80.7122.4-177.3-560000110.6P71 R129P71-T73 PolarHBondContact O-N 2.92Å; T73-R129 VanDerWaalsContact O-CZ 3.24Å; T73-R129 PolarHBondContact O-NH1 3.12Å; T73-R129 PolarHBondContact O-NH2 2.81Å
74S98Very high96.5Very high51 Ų5167.3 Ų67.336%0.35736%0.363SS..  trans-73.4145.7172.9-64.20000111.4V78 T79 V80S74-V78 WeakPolarHBondContact CA-O 3.38Å; S74-T79 WeakPolarHBondContact OG-CA 3.45Å; S74-V80 PolarHBondContact OG-N 3.4Å; S74-V80 PolarHBondContact OG-O 3.27Å
75D96.9Very high96.8Very high45 Ų4564.5 Ų64.524%0.24135%0.348CS..  trans-119.4-174.3176.362.247000111.1H77 V78 K96 R129D75-H77 PolarHBondContact O-N 3.28Å; D75-H77 WeakPolarHBondContact OD1-CA 3.26Å; D75-H77 WeakPolarHBondContact OD1-CB 3.33Å; D75-H77 PolarHBondContact OD1-N 2.98Å; D75-V78 PolarHBondContact N-O 2.9Å; D75-V78 PolarHBondContact OD1-N 2.95Å; D75-K96 WeakPolarHBondContact O-CD 3.44Å; D75-K96 VanDerWaalsContact O-CE 3.24Å; D75-K96 WeakPolarHBondContact O-CE 3.3Å; D75-K96 PolarHBondContact O-NZ 2.82Å; D75-R129 IonicContact OD2-CZ 3.86Å; D75-R129 IonicContact OD2-NH1 3.54Å; D75-R129 PolarHBondContact OD2-NH1 3Å
76E96.1Very high97.1Very high146 Ų14664.8 Ų64.868%0.68235%0.351SS*.SBendtrans-63.4-21.6179.562.7-87.5-16000114.4
77H96.5Very high97.2Very high85 Ų8567.4 Ų67.439%0.39437%0.369SS..SBendtrans-102.6-34.4-175.1-61.8-50.1000113.2D75 K96 H133D75-H77 PolarHBondContact O-N 3.28Å; D75-H77 WeakPolarHBondContact OD1-CA 3.26Å; D75-H77 WeakPolarHBondContact OD1-CB 3.33Å; D75-H77 PolarHBondContact OD1-N 2.98Å; H77-K96 PolarHBondContact O-N 3.16Å; H77-H133 AromaticContact CD2-CE1 3.92Å; H77-H133 AromaticContact CE1-CE1 3.91Å; H77-H133 AromaticContact CG-CE1 3.69Å; H77-H133 AromaticContact CG-ND1 3.87Å; H77-H133 AromaticContact ND1-CE1 3.69Å; H77-H133 AromaticContact ND1-NE2 3.95Å
78V97.9Very high97.5Very high1 Ų159.7 Ų59.71%0.00634%0.335CS..EExtended strand (participates in β ladder)trans-136.7130.9-169-177.20000110.8S74 D75 V80 Y93 I94 A132 H133S74-V78 WeakPolarHBondContact CA-O 3.38Å; D75-V78 PolarHBondContact N-O 2.9Å; D75-V78 PolarHBondContact OD1-N 2.95Å; V78-V80 HydrophobicContact CG1-CG2 4.03Å; V78-Y93 HydrophobicContact CG1-CD1 4.2Å; V78-I94 CarbonylContact C-O 3.52Å; V78-I94 WeakPolarHBondContact CA-O 3.49Å; V78-A132 HydrophobicContact CG1-CB 4.29Å; V78-A132 HydrophobicContact CG2-CB 4.23Å; V78-H133 HydrophobicContact CG2-CB 4.26Å
79T98.3Very high97.7Very high44 Ų4459 Ų5927%0.2734%0.338SS..EExtended strand (participates in β ladder)trans-83.3125.8163.9-60.30000108.5S74 M81 Y93 I94 K96S74-T79 WeakPolarHBondContact OG-CA 3.45Å; T79-M81 HydrophobicContact CG2-CE 3.86Å; T79-Y93 WeakPolarHBondContact O-CA 3.39Å; T79-I94 PolarHBondContact N-O 3.16Å; T79-I94 PolarHBondContact O-N 2.86Å; T79-K96 WeakPolarHBondContact OG1-CE 3.39Å
80V98.6Very high97.8Very high7 Ų754.5 Ų54.54%0.04232%0.317CS..EExtended strand (participates in β ladder)trans-113.9131.5176.2-172.90000108.7P72 S74 V78 R91 I92 Y93P72-V80 HydrophobicContact CB-CG1 3.87Å; S74-V80 PolarHBondContact OG-N 3.4Å; S74-V80 PolarHBondContact OG-O 3.27Å; V78-V80 HydrophobicContact CG1-CG2 4.03Å; V80-R91 HydrophobicContact CG1-CG 3.75Å; V80-I92 WeakPolarHBondContact CA-O 3.26Å; V80-Y93 HydrophobicContact CB-CD1 4.47Å; V80-Y93 HydrophobicContact CG1-CD1 4.16Å; V80-Y93 HydrophobicContact CG1-CE1 3.86Å; V80-Y93 HydrophobicContact CG2-CD1 3.62Å; V80-Y93 HydrophobicContact CG2-CE1 3.87Å
81M98.2Very high97.9Very high69 Ų6952.9 Ų52.934%0.3431%0.307SS..EExtended strand (participates in β ladder)trans-144.3156.3177.966.2-176.872.100110.8T79 R91 I92 I94T79-M81 HydrophobicContact CG2-CE 3.86Å; M81-R91 CarbonylContact O-C 3.4Å; M81-R91 WeakPolarHBondContact O-CA 3.4Å; M81-I92 HydrophobicContact CG-CB 3.95Å; M81-I92 PolarHBondContact N-O 3.47Å; M81-I92 PolarHBondContact O-N 2.93Å; M81-I94 HydrophobicContact CE-CD1 3.71Å
82E98.3Very high97.9Very high102 Ų10248.9 Ų48.948%0.47728%0.281SS..EExtended strand (participates in β ladder)trans-112.4141.2173.1-70.4173.8165.500110P72 V90 R91P72-E82 HydrophobicContact CB-CG 3.91Å; P72-E82 HydrophobicContact CG-CG 4.06Å; E82-V90 WeakPolarHBondContact CA-O 3.49Å; E82-R91 HydrophobicContact CG-CB 4.34Å; E82-R91 HydrophobicContact CG-CG 4.17Å; E82-R91 IonicContact OE1-CZ 3.81Å; E82-R91 IonicContact OE1-NE 3.21Å; E82-R91 PolarHBondContact OE1-NE 3.45Å; E82-R91 IonicContact OE1-NH2 2.73Å; E82-R91 PolarHBondContact OE1-NH2 2.87Å
83T97.8Very high98Very high63 Ų6346.6 Ų46.639%0.38727%0.266SS..EExtended strand (participates in β ladder)trans-155.4-167.3175.5-166.80000109F85 P89 V90 I92T83-F85 HydrophobicContact CG2-CD1 4.17Å; T83-F85 HydrophobicContact CG2-CE1 3.9Å; T83-P89 WeakPolarHBondContact O-CA 3.49Å; T83-V90 HydrophobicContact CG2-CG2 3.65Å; T83-V90 PolarHBondContact N-O 2.95Å; T83-V90 PolarHBondContact O-N 3.24Å; T83-I92 HydrophobicContact CG2-CD1 3.56Å; T83-I92 HydrophobicContact CG2-CG1 4.3Å
84A98.5Very high98Very high47 Ų4743.9 Ų43.939%0.38825%0.248SC..EExtended strand (participates in β ladder)trans-128.6136.4171.800000110.9V88A84-V88 CarbonylContact C-O 3.59Å; A84-V88 WeakPolarHBondContact CA-O 3.26Å
85F98.5Very high98Very high4 Ų441.6 Ų41.62%0.01823%0.232CC..EExtended strand (participates in β ladder)trans-107.2112.6171.4-77.41.9000108.1T83 S87 V88 V90 I92 V140 W165 F166 V171 Y175T83-F85 HydrophobicContact CG2-CD1 4.17Å; T83-F85 HydrophobicContact CG2-CE1 3.9Å; F85-S87 VanDerWaalsContact C-N 3.32Å; F85-S87 PolarHBondContact O-N 2.74Å; F85-V88 PolarHBondContact N-O 2.77Å; F85-V88 WeakPolarHBondContact O-CB 3.17Å; F85-V88 PolarHBondContact O-N 3.11Å; F85-V90 HydrophobicContact CB-CG1 4.13Å; F85-V90 HydrophobicContact CB-CG2 4.4Å; F85-V90 HydrophobicContact CD1-CG2 3.9Å; F85-V90 HydrophobicContact CD2-CG1 4.27Å; F85-V90 HydrophobicContact CD2-CG2 4.13Å; F85-V90 HydrophobicContact CE1-CG2 4.17Å; F85-V90 HydrophobicContact CE2-CG2 4.39Å; F85-V90 HydrophobicContact CG-CG1 4.24Å; F85-V90 HydrophobicContact CG-CG2 3.87Å; F85-V90 HydrophobicContact CZ-CG2 4.4Å; F85-I92 HydrophobicContact CE1-CD1 3.8Å; F85-I92 HydrophobicContact CE2-CD1 4.45Å; F85-I92 HydrophobicContact CZ-CD1 3.54Å; F85-I92 HydrophobicContact CZ-CG1 4.49Å; F85-V140 HydrophobicContact CD2-CG1 4.01Å; F85-V140 HydrophobicContact CE2-CB 4.48Å; F85-V140 HydrophobicContact CE2-CG1 3.71Å; F85-V140 HydrophobicContact CE2-CG2 3.96Å; F85-V140 HydrophobicContact CZ-CG2 4.47Å; F85-W165 HydrophobicContact CB-CB 3.99Å; F85-W165 VanDerWaalsContact CB-CD1 3.46Å; F85-W165 HydrophobicContact CB-CG 3.76Å; F85-W165 AromaticContact CD1-CD1 3.46Å; F85-W165 VanDerWaalsContact CD1-CD1 3.46Å; F85-W165 AromaticContact CD1-NE1 3.57Å; F85-W165 AromaticContact CD2-CD1 3.76Å; F85-W165 AromaticContact CG-CD1 3.27Å; F85-W165 HydrophobicContact CG-CG 4.07Å; F85-W165 AromaticContact CG-NE1 3.89Å; F85-F166 HydrophobicContact CD2-CB 4Å; F85-F166 HydrophobicContact CE2-CB 3.85Å; F85-F166 AromaticContact CE2-CD2 3.84Å; F85-F166 HydrophobicContact CE2-CD2 3.84Å; F85-F166 HydrophobicContact CE2-CG 4.18Å; F85-F166 HydrophobicContact CZ-CD2 4.49Å; F85-V171 HydrophobicContact CE2-CG1 4.49Å; F85-V171 HydrophobicContact CZ-CG1 4.19Å; F85-Y175 HydrophobicContact CE1-CE2 4.14Å; F85-Y175 AromaticContact CZ-CE2 3.66Å; F85-Y175 HydrophobicContact CZ-CE2 3.66Å
86D97.7Very high97.9Very high52 Ų5244.2 Ų44.228%0.27824%0.241SC..THydrogen-bonded Turntrans50.649.9-172.9-163.516.7000112.9V88 R161 W165D86-V88 PolarHBondContact O-N 3.04Å; D86-V88 VanDerWaalsContact O-N 3.1Å; D86-R161 HydrophobicContact CB-CB 4.26Å; D86-R161 PolarHBondContact O-NH2 2.79Å; D86-R161 IonicContact OD1-CZ 2.79Å; D86-R161 IonicContact OD1-NE 3.43Å; D86-R161 IonicContact OD1-NH2 3.13Å; D86-R161 PolarHBondContact OD1-NH2 2.72Å; D86-R161 WeakPolarHBondContact OD2-CB 3.36Å; D86-R161 IonicContact OD2-CZ 3.24Å; D86-R161 IonicContact OD2-NE 3.55Å; D86-R161 PolarHBondContact OD2-NE 3.13Å; D86-R161 IonicContact OD2-NH2 3.39Å; D86-R161 PolarHBondContact OD2-NH2 3.41Å; D86-W165 HydrophobicContact CB-CB 4.26Å; D86-W165 HydrophobicContact CB-CD2 4.25Å; D86-W165 HydrophobicContact CB-CE3 3.75Å; D86-W165 HydrophobicContact CB-CG 4.48Å; D86-W165 HydrophobicContact CB-CZ3 4.49Å
87S97.6Very high97.6Very high100 Ų10046.5 Ų46.570%0.69924%0.244SC*.THydrogen-bonded Turntrans64.14.8-176.8-49.80000116.6F85F85-S87 VanDerWaalsContact C-N 3.32Å; F85-S87 PolarHBondContact O-N 2.74Å
88V98.6Very high97.1Very high2 Ų252 Ų521%0.01227%0.266CS..EExtended strand (participates in β ladder)trans-94.5122.9173.4-177.80000108.6A84 F85 D86 V90 D158A84-V88 CarbonylContact C-O 3.59Å; A84-V88 WeakPolarHBondContact CA-O 3.26Å; F85-V88 PolarHBondContact N-O 2.77Å; F85-V88 WeakPolarHBondContact O-CB 3.17Å; F85-V88 PolarHBondContact O-N 3.11Å; D86-V88 PolarHBondContact O-N 3.04Å; D86-V88 VanDerWaalsContact O-N 3.1Å; V88-V90 PolarHBondContact O-N 3.03Å; V88-D158 HydrophobicContact CG1-CB 3.99Å; V88-D158 HydrophobicContact CG2-CB 3.88Å
89P98.6Very high96.2Very high69 Ų6954 Ų5445%0.44828%0.281SS..EExtended strand (participates in β ladder)trans-60.3138.2178-1829.8000111.2T83 D143T83-P89 WeakPolarHBondContact O-CA 3.49Å; P89-D143 HydrophobicContact CB-CB 4.14Å; P89-D143 PolarHBondContact O-N 3.48Å
90V98.8Very high95.2Very high2 Ų261.5 Ų61.51%0.01232%0.315CS..EExtended strand (participates in β ladder)trans-139.2146.7176.7-60.20000109.9E82 T83 F85 V88 I92 V140 S141E82-V90 WeakPolarHBondContact CA-O 3.49Å; T83-V90 HydrophobicContact CG2-CG2 3.65Å; T83-V90 PolarHBondContact N-O 2.95Å; T83-V90 PolarHBondContact O-N 3.24Å; F85-V90 HydrophobicContact CB-CG1 4.13Å; F85-V90 HydrophobicContact CB-CG2 4.4Å; F85-V90 HydrophobicContact CD1-CG2 3.9Å; F85-V90 HydrophobicContact CD2-CG1 4.27Å; F85-V90 HydrophobicContact CD2-CG2 4.13Å; F85-V90 HydrophobicContact CE1-CG2 4.17Å; F85-V90 HydrophobicContact CE2-CG2 4.39Å; F85-V90 HydrophobicContact CG-CG1 4.24Å; F85-V90 HydrophobicContact CG-CG2 3.87Å; F85-V90 HydrophobicContact CZ-CG2 4.4Å; V88-V90 PolarHBondContact O-N 3.03Å; V90-I92 HydrophobicContact CG2-CD1 4.24Å; V90-I92 HydrophobicContact CG2-CG1 4.06Å; V90-V140 HydrophobicContact CB-CG1 3.91Å; V90-V140 HydrophobicContact CG1-CG1 4.02Å; V90-V140 HydrophobicContact CG2-CG1 4.26Å; V90-S141 CarbonylContact C-O 3.53Å; V90-S141 VanDerWaalsContact CA-O 3.3Å; V90-S141 WeakPolarHBondContact CA-O 3.23Å
91R98.7Very high94.8Very high4 Ų464.4 Ų64.42%0.01534%0.34CS..EExtended strand (participates in β ladder)trans-106.3126.8167.9-169.7174.9-83.2-167.54.1109.7V70 V80 M81 E82 Y93 A119 A120 D125 S141V70-R91 PolarHBondContact O-NH1 3.41Å; V70-R91 PolarHBondContact O-NH2 3Å; V80-R91 HydrophobicContact CG1-CG 3.75Å; M81-R91 CarbonylContact O-C 3.4Å; M81-R91 WeakPolarHBondContact O-CA 3.4Å; E82-R91 HydrophobicContact CG-CB 4.34Å; E82-R91 HydrophobicContact CG-CG 4.17Å; E82-R91 IonicContact OE1-CZ 3.81Å; E82-R91 IonicContact OE1-NE 3.21Å; E82-R91 PolarHBondContact OE1-NE 3.45Å; E82-R91 IonicContact OE1-NH2 2.73Å; E82-R91 PolarHBondContact OE1-NH2 2.87Å; R91-Y93 HydrophobicContact CB-CE2 4.16Å; R91-Y93 WeakPolarHBondContact CD-OH 3.34Å; R91-Y93 HydrophobicContact CG-CE2 3.83Å; R91-A119 HydrophobicContact CB-CB 3.97Å; R91-A120 VanDerWaalsContact NH2-CB 3.28Å; R91-D125 IonicContact NH1-OD1 3.36Å; R91-D125 PolarHBondContact NH1-OD1 2.92Å; R91-D125 VanDerWaalsContact NH1-OD1 3.13Å; R91-S141 PolarHBondContact N-O 2.78Å; R91-S141 PolarHBondContact O-N 3.44Å
92I98.7Very high94.6Very high0 Ų065.4 Ų65.40%035%0.346CS..EExtended strand (participates in β ladder)trans-112.6131.5-174.1-50.3179.9000109.6V80 M81 T83 F85 V90 I94 V138 V139 V140 Y175V80-I92 WeakPolarHBondContact CA-O 3.26Å; M81-I92 HydrophobicContact CG-CB 3.95Å; M81-I92 PolarHBondContact N-O 3.47Å; M81-I92 PolarHBondContact O-N 2.93Å; T83-I92 HydrophobicContact CG2-CD1 3.56Å; T83-I92 HydrophobicContact CG2-CG1 4.3Å; F85-I92 HydrophobicContact CE1-CD1 3.8Å; F85-I92 HydrophobicContact CE2-CD1 4.45Å; F85-I92 HydrophobicContact CZ-CD1 3.54Å; F85-I92 HydrophobicContact CZ-CG1 4.49Å; V90-I92 HydrophobicContact CG2-CD1 4.24Å; V90-I92 HydrophobicContact CG2-CG1 4.06Å; I92-I94 HydrophobicContact CG2-CD1 4.31Å; I92-I94 HydrophobicContact CG2-CG1 3.91Å; I92-V138 HydrophobicContact CG2-CG1 3.92Å; I92-V139 CarbonylContact C-O 3.59Å; I92-V139 WeakPolarHBondContact CA-O 3.42Å; I92-V140 HydrophobicContact CG1-CG2 4.38Å; I92-V140 HydrophobicContact CG2-CG2 4.39Å; I92-Y175 HydrophobicContact CD1-CE1 4.04Å; I92-Y175 HydrophobicContact CD1-CE2 4.18Å; I92-Y175 VanDerWaalsContact CD1-OH 3.23Å; I92-Y175 WeakPolarHBondContact CD1-OH 2.99Å; I92-Y175 HydrophobicContact CG2-CE1 4.35Å
93Y98.7Very high94.5Very high0 Ų062.7 Ų62.70%033%0.332CS..EExtended strand (participates in β ladder)trans-115.6116.4179.6-56-99.8000109V78 T79 V80 R91 A119 D125 S128 R129 V138 V139V78-Y93 HydrophobicContact CG1-CD1 4.2Å; T79-Y93 WeakPolarHBondContact O-CA 3.39Å; V80-Y93 HydrophobicContact CB-CD1 4.47Å; V80-Y93 HydrophobicContact CG1-CD1 4.16Å; V80-Y93 HydrophobicContact CG1-CE1 3.86Å; V80-Y93 HydrophobicContact CG2-CD1 3.62Å; V80-Y93 HydrophobicContact CG2-CE1 3.87Å; R91-Y93 HydrophobicContact CB-CE2 4.16Å; R91-Y93 WeakPolarHBondContact CD-OH 3.34Å; R91-Y93 HydrophobicContact CG-CE2 3.83Å; Y93-A119 PolarHBondContact OH-O 2.86Å; Y93-D125 VanDerWaalsContact CE1-OD1 3.26Å; Y93-D125 WeakPolarHBondContact CE1-OD1 3.45Å; Y93-D125 WeakPolarHBondContact OH-CA 3.39Å; Y93-D125 PolarHBondContact OH-OD1 3.12Å; Y93-S128 VanDerWaalsContact CD2-CB 3.46Å; Y93-S128 VanDerWaalsContact CZ-CB 3.48Å; Y93-R129 HydrophobicContact CD1-CG 3.81Å; Y93-R129 HydrophobicContact CE1-CG 3.9Å; Y93-V138 WeakPolarHBondContact O-CA 3.44Å; Y93-V139 HydrophobicContact CD2-CB 4.2Å; Y93-V139 HydrophobicContact CD2-CG1 4.41Å; Y93-V139 PolarHBondContact N-O 3.33Å; Y93-V139 PolarHBondContact O-N 2.92Å
94I98Very high94.5Very high29 Ų2961.9 Ų61.915%0.14932%0.321CS..EExtended strand (participates in β ladder)trans-118.6120.8-176.9-52.3177.6000109V78 T79 M81 I92 K96 V138 Y175V78-I94 CarbonylContact C-O 3.52Å; V78-I94 WeakPolarHBondContact CA-O 3.49Å; T79-I94 PolarHBondContact N-O 3.16Å; T79-I94 PolarHBondContact O-N 2.86Å; M81-I94 HydrophobicContact CE-CD1 3.71Å; I92-I94 HydrophobicContact CG2-CD1 4.31Å; I92-I94 HydrophobicContact CG2-CG1 3.91Å; I94-K96 PolarHBondContact O-N 2.98Å; I94-V138 HydrophobicContact CG1-CG1 4.45Å; I94-Y175 HydrophobicContact CD1-CD1 3.76Å; I94-Y175 HydrophobicContact CD1-CE1 4.1Å
95P97Very high94.5Very high3 Ų359.6 Ų59.62%0.01930%0.303CS..EExtended strand (participates in β ladder)trans-66.5132177.626.8-33000110.3R97 R103 D136 A137P95-R97 VanDerWaalsContact C-N 3.31Å; P95-R97 PolarHBondContact O-N 3.48Å; P95-R103 PolarHBondContact O-NH2 2.99Å; P95-D136 VanDerWaalsContact CG-OD1 3.27Å; P95-D136 WeakPolarHBondContact CG-OD1 3.08Å; P95-A137 VanDerWaalsContact CD-O 3.24Å; P95-A137 WeakPolarHBondContact CD-O 3.27Å
96K95.6Very high94.5Very high100 Ų10059.4 Ų59.444%0.43530%0.302SS..  trans-77.2-16.5-178.7-71.1-176.2172.3179.10113.5D75 H77 T79 I94 K98D75-K96 WeakPolarHBondContact O-CD 3.44Å; D75-K96 VanDerWaalsContact O-CE 3.24Å; D75-K96 WeakPolarHBondContact O-CE 3.3Å; D75-K96 PolarHBondContact O-NZ 2.82Å; H77-K96 PolarHBondContact O-N 3.16Å; T79-K96 WeakPolarHBondContact OG1-CE 3.39Å; I94-K96 PolarHBondContact O-N 2.98Å; K96-K98 PolarHBondContact O-N 3.03Å
97R90Very high94.6Very high194 Ų19457 Ų5773%0.73229%0.289SS*.SBendtrans-56.7130.7176.1-176.2179.3176.3177.90.1109.4P95 S99 R103P95-R97 VanDerWaalsContact C-N 3.31Å; P95-R97 PolarHBondContact O-N 3.48Å; R97-S99 PolarHBondContact O-N 3.06Å; R97-R103 PolarHBondContact O-NH2 2.81Å
98K84.6Confident94.7Very high199 Ų19952.2 Ų52.287%0.86526%0.256SS*.  trans-60.9121.4170.7-70.4-172.6178.9-177.30108.6K96K96-K98 PolarHBondContact O-N 3.03Å
99S80Confident94.7Very high45 Ų4552.1 Ų52.132%0.31526%0.255SS..  trans-107.8134.7172.4-155.70000108.6R97 A101 D136R97-S99 PolarHBondContact O-N 3.06Å; S99-A101 VanDerWaalsContact C-N 3.28Å; S99-A101 WeakPolarHBondContact CB-O 3.3Å; S99-A101 PolarHBondContact OG-O 3.05Å; S99-D136 VanDerWaalsContact CB-OD2 3.28Å; S99-D136 WeakPolarHBondContact CB-OD2 3.32Å; S99-D136 PolarHBondContact OG-OD2 2.78Å
100M76.9Confident94.7Very high201 Ų20148.9 Ų48.999%0.9923%0.234SC*.SBendtrans-86-6.8173.2-62.8-167.5-59.800111.9
101A89.7Confident94.7Very high68 Ų6848.8 Ų48.856%0.56223%0.233SC*.SBendtrans-122.8162179.800000110.1S99S99-A101 VanDerWaalsContact C-N 3.28Å; S99-A101 WeakPolarHBondContact CB-O 3.3Å; S99-A101 PolarHBondContact OG-O 3.05Å
102L94.7Very high94.6Very high90 Ų9049.4 Ų49.447%0.47124%0.241SC..PPolyproline II helixtrans-62.1140.7167.6-66.2176.6000110.2G176 D178L102-G176 WeakPolarHBondContact CA-O 3.36Å; L102-D178 HydrophobicContact CB-CB 3.75Å; L102-D178 HydrophobicContact CD1-CB 4.43Å
103R96.4Very high94.5Very high45 Ų4549.5 Ų49.517%0.1724%0.242CC..EExtended strand (participates in β ladder)trans-81.2165.4-174.2-66.3-171.5179108.6-5.6112P95 R97 D136 G176 V177 D178P95-R103 PolarHBondContact O-NH2 2.99Å; R97-R103 PolarHBondContact O-NH2 2.81Å; R103-D136 WeakPolarHBondContact CB-O 3.45Å; R103-D136 IonicContact NE-OD1 3.51Å; R103-D136 PolarHBondContact NE-OD1 3.48Å; R103-D136 VanDerWaalsContact NE-OD1 3.17Å; R103-G176 PolarHBondContact N-O 2.94Å; R103-V177 WeakPolarHBondContact O-CA 3.38Å; R103-D178 PolarHBondContact O-N 3.33Å
104R97.9Very high94.5Very high45 Ų4549.5 Ų49.517%0.1724%0.242CC..EExtended strand (participates in β ladder)trans-70.8153.8163.9-63.3166.2177.688.6-2.5109.6L135 D136 A137 V138 R181 I395 L398R104-L135 WeakPolarHBondContact CD-O 3.33Å; R104-L135 PolarHBondContact NH1-O 2.92Å; R104-D136 PolarHBondContact N-O 2.95Å; R104-A137 HydrophobicContact CB-CB 3.83Å; R104-A137 CarbonylContact O-C 3.5Å; R104-A137 VanDerWaalsContact O-CA 3.25Å; R104-A137 WeakPolarHBondContact O-CA 3.28Å; R104-V138 PolarHBondContact O-N 2.96Å; R104-R181 HydrophobicContact CG-CB 4.46Å; R104-I395 PolarHBondContact NH2-O 3.05Å; R104-L398 HydrophobicContact CB-CD2 4.01Å; R104-L398 HydrophobicContact CB-CG 4Å; R104-L398 HydrophobicContact CG-CD2 4.4Å; R104-L398 HydrophobicContact CG-CG 3.97Å; R104-L398 PolarHBondContact NE-OXT 3.29Å; R104-L398 PolarHBondContact NH2-OXT 3.46Å
105G98.6Very high94.6Very high0 Ų048.1 Ų48.10%024%0.235CC..EExtended strand (participates in β ladder)trans-116135168.400000110.2V138 R181 V182 G183G105-V138 WeakPolarHBondContact CA-O 3.42Å; G105-R181 PolarHBondContact N-O 3.07Å; G105-V182 CarbonylContact O-C 3.6Å; G105-V182 VanDerWaalsContact O-CA 3.31Å; G105-V182 WeakPolarHBondContact O-CA 3.22Å; G105-G183 PolarHBondContact O-N 2.8Å
106L98.9Very high94.6Very high0 Ų048.7 Ų48.70%024%0.237CC..EExtended strand (participates in β ladder)trans-132.1122.5172.7-173.574.8000110.2T131 V138 V139 V140 G183 Y390 L394 L398L106-T131 HydrophobicContact CD2-CG2 3.56Å; L106-V138 PolarHBondContact N-O 2.91Å; L106-V139 HydrophobicContact CB-CG2 4.4Å; L106-V139 CarbonylContact O-C 3.59Å; L106-V139 VanDerWaalsContact O-CA 3.26Å; L106-V139 WeakPolarHBondContact O-CA 3.34Å; L106-V140 PolarHBondContact O-N 3.12Å; L106-G183 WeakPolarHBondContact CA-O 3.4Å; L106-Y390 WeakPolarHBondContact CD2-OH 3.4Å; L106-L394 HydrophobicContact CD1-CD2 4.49Å; L106-L394 HydrophobicContact CD2-CD1 4.16Å; L106-L398 HydrophobicContact CD1-CD2 4.38Å
107F98.9Very high94.6Very high0 Ų044.3 Ų44.30%022%0.221CC..EExtended strand (participates in β ladder)trans-95.3114.5171.4-163.9-86.2000109.2I109 V140 T142 V159 S162 L163 F166 G183 V184 S185F107-I109 HydrophobicContact CD1-CD1 4.35Å; F107-I109 HydrophobicContact CD1-CG1 3.91Å; F107-I109 HydrophobicContact CE1-CD1 4.42Å; F107-I109 HydrophobicContact CE1-CG1 3.86Å; F107-V140 CarbonylContact C-O 3.55Å; F107-V140 WeakPolarHBondContact CA-O 3.42Å; F107-V140 HydrophobicContact CD2-CB 3.91Å; F107-V140 HydrophobicContact CD2-CG1 3.84Å; F107-V140 HydrophobicContact CE2-CB 4.31Å; F107-V140 HydrophobicContact CE2-CG1 3.71Å; F107-T142 HydrophobicContact CE1-CG2 3.57Å; F107-T142 HydrophobicContact CZ-CG2 3.8Å; F107-V159 HydrophobicContact CE1-CG1 4.17Å; F107-S162 WeakPolarHBondContact CZ-OG 3.22Å; F107-L163 HydrophobicContact CB-CD1 3.7Å; F107-L163 HydrophobicContact CD1-CB 4.27Å; F107-L163 HydrophobicContact CD1-CD1 4.13Å; F107-L163 HydrophobicContact CD2-CB 4.35Å; F107-L163 HydrophobicContact CD2-CD1 3.87Å; F107-L163 HydrophobicContact CE1-CB 4.11Å; F107-L163 HydrophobicContact CE2-CB 4.2Å; F107-L163 HydrophobicContact CG-CB 4.39Å; F107-L163 HydrophobicContact CG-CD1 3.64Å; F107-L163 HydrophobicContact CG-CG 4.49Å; F107-L163 HydrophobicContact CZ-CB 4.07Å; F107-F166 HydrophobicContact CB-CD1 4.24Å; F107-F166 HydrophobicContact CB-CE1 4.48Å; F107-F166 HydrophobicContact CD2-CB 4.14Å; F107-F166 AromaticContact CD2-CD1 3.88Å; F107-F166 HydrophobicContact CD2-CD1 3.88Å; F107-F166 HydrophobicContact CD2-CG 4.26Å; F107-F166 HydrophobicContact CE2-CB 4.39Å; F107-G183 PolarHBondContact N-O 2.65Å; F107-V184 HydrophobicContact CB-CG2 4.46Å; F107-V184 HydrophobicContact CD1-CG2 4.34Å; F107-V184 CarbonylContact O-C 3.32Å; F107-V184 WeakPolarHBondContact O-CA 3.23Å; F107-S185 PolarHBondContact O-N 2.96Å
108Y98.8Very high94.9Very high1 Ų135.6 Ų35.60%0.00419%0.19CC..EExtended strand (participates in β ladder)trans-105.7135.4-177.3-163.1-86.9000111Y124 L127 V140 S141 T142 S185 D187 I217Y108-Y124 AromaticContact CE1-CD1 3.8Å; Y108-Y124 HydrophobicContact CE1-CD1 3.8Å; Y108-Y124 HydrophobicContact CE1-CE1 4.15Å; Y108-L127 HydrophobicContact CD2-CD2 4.28Å; Y108-L127 HydrophobicContact CE1-CD2 4.01Å; Y108-L127 HydrophobicContact CE2-CD2 3.53Å; Y108-L127 WeakPolarHBondContact OH-CD2 3.26Å; Y108-V140 PolarHBondContact N-O 2.77Å; Y108-S141 WeakPolarHBondContact O-CA 3.34Å; Y108-T142 PolarHBondContact O-N 3.47Å; Y108-S185 CarbonylContact C-O 3.56Å; Y108-S185 WeakPolarHBondContact CA-O 3.39Å; Y108-D187 PolarHBondContact OH-OD1 3.12Å; Y108-I217 HydrophobicContact CE2-CD1 4.47Å
109I98.9Very high95.6Very high0 Ų026.1 Ų26.10%015%0.148CC..EExtended strand (participates in β ladder)trans-121.4118.4-179.5-51.8156.6000107.4F107 T142 Y144 V159 V184 S185 G186 D187 G190 L193 A194F107-I109 HydrophobicContact CD1-CD1 4.35Å; F107-I109 HydrophobicContact CD1-CG1 3.91Å; F107-I109 HydrophobicContact CE1-CD1 4.42Å; F107-I109 HydrophobicContact CE1-CG1 3.86Å; I109-T142 HydrophobicContact CB-CG2 4.46Å; I109-T142 HydrophobicContact CG1-CG2 4.05Å; I109-T142 HydrophobicContact CG2-CG2 4.27Å; I109-Y144 HydrophobicContact CG2-CD1 3.99Å; I109-Y144 HydrophobicContact CG2-CE1 3.61Å; I109-V159 HydrophobicContact CD1-CG1 3.4Å; I109-V159 HydrophobicContact CG1-CG1 3.87Å; I109-V159 HydrophobicContact CG2-CG2 4.02Å; I109-V184 HydrophobicContact CD1-CG2 3.84Å; I109-S185 PolarHBondContact N-O 3.3Å; I109-G186 WeakPolarHBondContact O-CA 3.4Å; I109-D187 PolarHBondContact O-N 3.25Å; I109-G190 WeakPolarHBondContact O-CA 3.49Å; I109-L193 HydrophobicContact CD1-CB 4.28Å; I109-L193 HydrophobicContact CG2-CB 4.03Å; I109-L193 HydrophobicContact CG2-CD1 3.95Å; I109-A194 HydrophobicContact CD1-CB 3.87Å
110H98.7Very high96.4Very high1 Ų124.3 Ų24.31%0.00514%0.137CC..  trans-70151-177.668.178.1000112.2L116 G117 Y124 T142 Y144 G190H110-L116 PolarHBondContact CE1-O 3.35Å; H110-G117 PolarHBondContact CE1-O 3.11Å; H110-G117 VanDerWaalsContact CE1-O 3.29Å; H110-Y124 HydrophobicContact CB-CD1 4.16Å; H110-Y124 HydrophobicContact CB-CD2 3.63Å; H110-Y124 HydrophobicContact CB-CE1 4Å; H110-Y124 HydrophobicContact CB-CE2 3.46Å; H110-Y124 VanDerWaalsContact CB-CE2 3.46Å; H110-Y124 HydrophobicContact CB-CG 4Å; H110-T142 PolarHBondContact CD2-O 2.64Å; H110-T142 VanDerWaalsContact CD2-O 3.3Å; H110-Y144 AromaticContact CD2-CE1 3.94Å; H110-Y144 AromaticContact CE1-CE1 3.59Å; H110-Y144 AromaticContact CE1-CZ 3.46Å; H110-Y144 VanDerWaalsContact CE1-CZ 3.46Å; H110-Y144 PolarHBondContact CE1-OH 2.83Å; H110-Y144 AromaticContact ND1-CE1 3.97Å; H110-Y144 AromaticContact ND1-CZ 3.91Å; H110-Y144 PolarHBondContact ND1-OH 3.01Å; H110-Y144 AromaticContact NE2-CE1 3.56Å; H110-Y144 AromaticContact NE2-CZ 3.87Å; H110-Y144 PolarHBondContact O-OH 2.83Å; H110-Y144 VanDerWaalsContact O-OH 3.06Å; H110-G190 VanDerWaalsContact O-CA 3.23Å; H110-G190 WeakPolarHBondContact O-CA 3.19Å; H110-G190 PolarHBondContact O-N 3.23Å
111G98.3Very high97.4Very high0 Ų015 Ų150%09%0.091CC..  trans-77.4-173.8166.500000113.5Y124 D187G111-Y124 WeakPolarHBondContact CA-OH 3.5Å; G111-Y124 PolarHBondContact N-OH 2.84Å; G111-Y124 PolarHBondContact O-OH 3.34Å; G111-D187 WeakPolarHBondContact CA-O 3.34Å; G111-D187 PolarHBondContact N-O 3.21Å; G111-D187 PolarHBondContact N-OD1 2.98Å; G111-D187 VanDerWaalsContact N-OD1 3.15Å
112G97Very high97.7Very high17 Ų1716.9 Ų16.918%0.1759%0.086CC..SBendtrans125.928.2-179.200000114.4W114 C115 L116G112-W114 PolarHBondContact O-N 2.88Å; G112-W114 VanDerWaalsContact O-N 3.14Å; G112-C115 PolarHBondContact O-N 2.81Å; G112-C115 VanDerWaalsContact O-N 3.09Å; G112-L116 WeakPolarHBondContact CA-O 3.32Å; G112-L116 WeakPolarHBondContact O-CA 3.19Å; G112-L116 WeakPolarHBondContact O-CB 3.14Å; G112-L116 PolarHBondContact O-N 2.78Å
113G97.9Very high97.7Very high2 Ų213.5 Ų13.52%0.0217%0.07CC..THydrogen-bonded Turntrans57.732.9173.700000114.5C115 F248G113-C115 PolarHBondContact O-N 3.17Å; G113-C115 PolarHBondContact O-SG 3.48Å; G113-F248 WeakPolarHBondContact O-CD1 3.34Å
114W98.7Very high97.8Very high0 Ų012 Ų120%07%0.065CC..THydrogen-bonded Turntrans59.73-176.8-47-82.4000115.6G112 L146 A147 Q155 A189 N192 A220 M245 F248 W249 Y252G112-W114 PolarHBondContact O-N 2.88Å; G112-W114 VanDerWaalsContact O-N 3.14Å; W114-L146 WeakPolarHBondContact O-CA 3.26Å; W114-A147 PolarHBondContact O-N 2.89Å; W114-Q155 HydrophobicContact CB-CG 4.04Å; W114-Q155 PolarHBondContact O-NE2 3.46Å; W114-A189 HydrophobicContact CD2-CB 3.8Å; W114-A189 HydrophobicContact CE3-CB 4.46Å; W114-A189 HydrophobicContact CG-CB 3.95Å; W114-A189 HydrophobicContact CZ2-CB 4.11Å; W114-N192 HydrophobicContact CZ2-CB 3.92Å; W114-N192 PolarHBondContact NE1-OD1 3.25Å; W114-A220 HydrophobicContact CH2-CB 3.76Å; W114-A220 HydrophobicContact CZ2-CB 3.97Å; W114-M245 HydrophobicContact CH2-CE 3.7Å; W114-M245 HydrophobicContact CZ3-CE 3.5Å; W114-M245 VanDerWaalsContact CZ3-CE 3.5Å; W114-F248 HydrophobicContact CE3-CB 4.38Å; W114-F248 HydrophobicContact CZ3-CB 4.28Å; W114-W249 HydrophobicContact CE3-CE3 4.46Å; W114-W249 AromaticContact CH2-CD2 3.6Å; W114-W249 HydrophobicContact CH2-CD2 3.6Å; W114-W249 AromaticContact CH2-CE2 3.61Å; W114-W249 AromaticContact CH2-CE3 3.47Å; W114-W249 HydrophobicContact CH2-CE3 3.47Å; W114-W249 VanDerWaalsContact CH2-CE3 3.47Å; W114-W249 HydrophobicContact CH2-CG 4.49Å; W114-W249 AromaticContact CH2-CH2 3.41Å; W114-W249 HydrophobicContact CH2-CH2 3.41Å; W114-W249 VanDerWaalsContact CH2-CH2 3.41Å; W114-W249 AromaticContact CH2-CZ2 3.53Å; W114-W249 HydrophobicContact CH2-CZ2 3.53Å; W114-W249 AromaticContact CH2-CZ3 3.37Å; W114-W249 HydrophobicContact CH2-CZ3 3.37Å; W114-W249 HydrophobicContact CZ2-CE3 4.19Å; W114-W249 AromaticContact CZ2-CH2 3.64Å; W114-W249 HydrophobicContact CZ2-CH2 3.64Å; W114-W249 HydrophobicContact CZ2-CZ2 4.15Å; W114-W249 AromaticContact CZ2-CZ3 3.66Å; W114-W249 HydrophobicContact CZ2-CZ3 3.66Å; W114-W249 AromaticContact CZ3-CD2 3.7Å; W114-W249 HydrophobicContact CZ3-CD2 3.7Å; W114-W249 AromaticContact CZ3-CE3 3.62Å; W114-W249 HydrophobicContact CZ3-CE3 3.62Å; W114-W249 HydrophobicContact CZ3-CG 4.24Å; W114-W249 HydrophobicContact CZ3-CH2 4.38Å; W114-W249 HydrophobicContact CZ3-CZ2 4.46Å; W114-W249 AromaticContact CZ3-CZ3 3.97Å; W114-W249 HydrophobicContact CZ3-CZ3 3.97Å; W114-Y252 HydrophobicContact CB-CD2 3.53Å; W114-Y252 HydrophobicContact CB-CE2 3.97Å; W114-Y252 HydrophobicContact CB-CG 3.85Å; W114-Y252 AromaticContact CD1-CE1 3.84Å; W114-Y252 AromaticContact CD1-CE2 3.75Å; W114-Y252 AromaticContact CD1-CZ 3.58Å; W114-Y252 AromaticContact CD2-CD1 3.6Å; W114-Y252 HydrophobicContact CD2-CD1 3.6Å; W114-Y252 HydrophobicContact CD2-CD2 4.21Å; W114-Y252 AromaticContact CD2-CE1 3.95Å; W114-Y252 HydrophobicContact CD2-CE1 3.95Å; W114-Y252 AromaticContact CD2-CG 3.73Å; W114-Y252 HydrophobicContact CD2-CG 3.73Å; W114-Y252 AromaticContact CE2-CD1 3.84Å; W114-Y252 AromaticContact CE2-CE1 3.79Å; W114-Y252 AromaticContact CE3-CD1 3.88Å; W114-Y252 HydrophobicContact CE3-CD1 3.88Å; W114-Y252 AromaticContact CE3-CG 3.91Å; W114-Y252 HydrophobicContact CE3-CG 3.91Å; W114-Y252 AromaticContact CG-CD1 3.89Å; W114-Y252 HydrophobicContact CG-CD1 3.89Å; W114-Y252 AromaticContact CG-CD2 3.66Å; W114-Y252 HydrophobicContact CG-CD2 3.66Å; W114-Y252 HydrophobicContact CG-CE1 4.02Å; W114-Y252 AromaticContact CG-CE2 3.82Å; W114-Y252 HydrophobicContact CG-CE2 3.82Å; W114-Y252 AromaticContact CG-CG 3.69Å; W114-Y252 HydrophobicContact CG-CG 3.69Å; W114-Y252 AromaticContact CG-CZ 3.96Å; W114-Y252 HydrophobicContact CZ2-CD1 4.36Å; W114-Y252 HydrophobicContact CZ2-CE1 4.39Å; W114-Y252 HydrophobicContact CZ3-CD1 4.38Å; W114-Y252 AromaticContact NE1-CE1 3.66Å; W114-Y252 AromaticContact NE1-CZ 3.79Å
115C98.4Very high97.8Very high0 Ų010.2 Ų10.20%06%0.058CC..THydrogen-bonded Turntrans-119-21.4-173.1-59.60000111.9M58 Q62 G112 G113 A147 F248M58-C115 HydrophobicContact CB-CB 4.42Å; M58-C115 HydrophobicContact CE-CB 4.41Å; M58-C115 HydrophobicContact CG-CB 3.99Å; M58-C115 HydrophobicContact SD-CB 3.56Å; M58-C115 VanDerWaalsContact SD-CB 3.56Å; Q62-C115 VanDerWaalsContact CG-O 3.28Å; Q62-C115 WeakPolarHBondContact CG-O 3.39Å; Q62-C115 PolarHBondContact NE2-O 3.37Å; G112-C115 PolarHBondContact O-N 2.81Å; G112-C115 VanDerWaalsContact O-N 3.09Å; G113-C115 PolarHBondContact O-N 3.17Å; G113-C115 PolarHBondContact O-SG 3.48Å; C115-A147 WeakPolarHBondContact CA-O 3.41Å; C115-F248 HydrophobicContact CB-CD1 4.09Å; C115-F248 HydrophobicContact CB-CE1 4.21Å
116L97.2Very high97.7Very high14 Ų1412.8 Ų12.87%0.0737%0.074CC..SBendtrans-134.3169.8-170.3-46173.7000110.2M58 I61 Q62 M65 H110 G112 F248M58-L116 HydrophobicContact SD-CD2 4.49Å; I61-L116 HydrophobicContact CB-CD1 4.49Å; I61-L116 HydrophobicContact CB-CD2 3.76Å; I61-L116 HydrophobicContact CG2-CD1 3.57Å; I61-L116 HydrophobicContact CG2-CD2 3.58Å; I61-L116 HydrophobicContact CG2-CG 4.24Å; Q62-L116 HydrophobicContact CG-CD2 3.82Å; M65-L116 HydrophobicContact SD-CB 3.66Å; M65-L116 HydrophobicContact SD-CD1 3.79Å; M65-L116 HydrophobicContact SD-CD2 4.37Å; M65-L116 HydrophobicContact SD-CG 4.14Å; H110-L116 PolarHBondContact CE1-O 3.35Å; G112-L116 WeakPolarHBondContact CA-O 3.32Å; G112-L116 WeakPolarHBondContact O-CA 3.19Å; G112-L116 WeakPolarHBondContact O-CB 3.14Å; G112-L116 PolarHBondContact O-N 2.78Å; L116-F248 HydrophobicContact CD1-CE1 3.67Å; L116-F248 HydrophobicContact CD1-CZ 3.62Å; L116-F248 HydrophobicContact CG-CE1 4.03Å; L116-F248 HydrophobicContact CG-CZ 4.44Å
117G96.1Very high97.6Very high9 Ų913 Ų139%0.0938%0.075CC..  trans99154.6177.300000112.9H110 H121H110-G117 PolarHBondContact CE1-O 3.11Å; H110-G117 VanDerWaalsContact CE1-O 3.29Å; G117-H121 WeakPolarHBondContact CA-CE1 3.44Å
118S97.6Very high97.5Very high10 Ų1013 Ų137%0.078%0.076CC..  trans-153.3157.2162.668.80000109.1E69 A120 H121 Y124 D143E69-S118 WeakPolarHBondContact OE1-CB 3.31Å; E69-S118 PolarHBondContact OE1-OG 3.28Å; S118-A120 PolarHBondContact O-N 3.3Å; S118-A120 VanDerWaalsContact O-N 3.12Å; S118-A120 PolarHBondContact OG-N 2.85Å; S118-H121 PolarHBondContact O-N 3.24Å; S118-H121 VanDerWaalsContact O-N 3.07Å; S118-H121 PolarHBondContact OG-CD2 2.8Å; S118-H121 PolarHBondContact OG-N 2.89Å; S118-Y124 VanDerWaalsContact O-CD2 3.32Å; S118-Y124 WeakPolarHBondContact O-CD2 3.29Å; S118-D143 VanDerWaalsContact CA-OD1 3.28Å; S118-D143 WeakPolarHBondContact CA-OD1 3.3Å; S118-D143 WeakPolarHBondContact CB-OD1 3.48Å
119A98Very high97.5Very high0 Ų014.8 Ų14.80%08%0.082CC..THydrogen-bonded Turntrans-55.9-23168.600000112.1R91 Y93 S141 D143R91-A119 HydrophobicContact CB-CB 3.97Å; Y93-A119 PolarHBondContact OH-O 2.86Å; A119-S141 VanDerWaalsContact CB-OG 3.28Å; A119-S141 WeakPolarHBondContact CB-OG 3.31Å; A119-D143 WeakPolarHBondContact CB-OD1 3.4Å; A119-D143 PolarHBondContact N-OD1 3.42Å
120A97.9Very high97.3Very high8 Ų818 Ų187%0.06610%0.095CC..THydrogen-bonded Turntrans-80.1-15.8178.100000114.4E69 V70 R91 S118 F122E69-A120 CarbonylContact C-O 3.59Å; E69-A120 WeakPolarHBondContact CA-O 3.19Å; E69-A120 HydrophobicContact CB-CB 4.02Å; E69-A120 HydrophobicContact CG-CB 3.88Å; V70-A120 WeakPolarHBondContact CG2-O 3.34Å; V70-A120 PolarHBondContact N-O 3.06Å; R91-A120 VanDerWaalsContact NH2-CB 3.28Å; S118-A120 PolarHBondContact O-N 3.3Å; S118-A120 VanDerWaalsContact O-N 3.12Å; S118-A120 PolarHBondContact OG-N 2.85Å; A120-F122 PolarHBondContact O-N 3.42Å
121H97.2Very high97.3Very high6 Ų618 Ų183%0.02810%0.095CC..BIsolated β-bridgetrans-58.3135.1176.7-70.3-173.4000111.1G117 S118 S123 Y124 D125G117-H121 WeakPolarHBondContact CA-CE1 3.44Å; S118-H121 PolarHBondContact O-N 3.24Å; S118-H121 VanDerWaalsContact O-N 3.07Å; S118-H121 PolarHBondContact OG-CD2 2.8Å; S118-H121 PolarHBondContact OG-N 2.89Å; H121-S123 PolarHBondContact O-N 3.37Å; H121-Y124 HydrophobicContact CB-CD2 3.85Å; H121-Y124 HydrophobicContact CB-CE2 4.47Å; H121-Y124 PolarHBondContact O-N 2.94Å; H121-D125 PolarHBondContact O-N 3.49Å
122F96.2Very high97.3Very high106 Ų10618 Ų1847%0.46510%0.095SC..Hα-helixtrans-48.3-38.8-176.9176.4-102.9000114Q68 V70 A120 T126 P378Q68-F122 WeakPolarHBondContact O-CB 3.22Å; Q68-F122 PolarHBondContact O-N 2.87Å; V70-F122 HydrophobicContact CG1-CB 4.15Å; V70-F122 HydrophobicContact CG1-CD2 4.02Å; A120-F122 PolarHBondContact O-N 3.42Å; F122-T126 WeakPolarHBondContact O-CB 3.33Å; F122-T126 PolarHBondContact O-N 3.19Å; F122-T126 PolarHBondContact O-OG1 2.83Å; F122-P378 HydrophobicContact CE1-CB 4.31Å
123S95.1Very high97.2Very high20 Ų2021.6 Ų21.614%0.1411%0.106CC..Hα-helixtrans-66.9-44.5179.1540000113H121 L127 S376H121-S123 PolarHBondContact O-N 3.37Å; S123-L127 WeakPolarHBondContact O-CB 3.38Å; S123-L127 PolarHBondContact O-N 3.02Å; S123-S376 WeakPolarHBondContact CB-O 3.22Å
124Y97.5Very high97Very high14 Ų1426 Ų266%0.05513%0.125CC..Hα-helixtrans-74.3-35.9177.6-62.1-52.5000111.9Y108 H110 G111 S118 H121 L127 S128 D187Y108-Y124 AromaticContact CE1-CD1 3.8Å; Y108-Y124 HydrophobicContact CE1-CD1 3.8Å; Y108-Y124 HydrophobicContact CE1-CE1 4.15Å; H110-Y124 HydrophobicContact CB-CD1 4.16Å; H110-Y124 HydrophobicContact CB-CD2 3.63Å; H110-Y124 HydrophobicContact CB-CE1 4Å; H110-Y124 HydrophobicContact CB-CE2 3.46Å; H110-Y124 VanDerWaalsContact CB-CE2 3.46Å; H110-Y124 HydrophobicContact CB-CG 4Å; G111-Y124 WeakPolarHBondContact CA-OH 3.5Å; G111-Y124 PolarHBondContact N-OH 2.84Å; G111-Y124 PolarHBondContact O-OH 3.34Å; S118-Y124 VanDerWaalsContact O-CD2 3.32Å; S118-Y124 WeakPolarHBondContact O-CD2 3.29Å; H121-Y124 HydrophobicContact CB-CD2 3.85Å; H121-Y124 HydrophobicContact CB-CE2 4.47Å; H121-Y124 PolarHBondContact O-N 2.94Å; Y124-L127 PolarHBondContact O-N 3.37Å; Y124-S128 VanDerWaalsContact O-CB 3.26Å; Y124-S128 WeakPolarHBondContact O-CB 3.34Å; Y124-S128 PolarHBondContact O-N 3.35Å; Y124-S128 PolarHBondContact O-OG 3.14Å; Y124-D187 WeakPolarHBondContact CE1-OD1 3.47Å; Y124-D187 PolarHBondContact OH-OD2 3Å
125D97.7Very high96.9Very high6 Ų626.1 Ų26.13%0.03213%0.126CC..Hα-helixtrans-63.3-48.6174.3-171.776.9000111.1V70 R91 Y93 H121 L127 S128 R129V70-D125 HydrophobicContact CG2-CB 3.69Å; R91-D125 IonicContact NH1-OD1 3.36Å; R91-D125 PolarHBondContact NH1-OD1 2.92Å; R91-D125 VanDerWaalsContact NH1-OD1 3.13Å; Y93-D125 VanDerWaalsContact CE1-OD1 3.26Å; Y93-D125 WeakPolarHBondContact CE1-OD1 3.45Å; Y93-D125 WeakPolarHBondContact OH-CA 3.39Å; Y93-D125 PolarHBondContact OH-OD1 3.12Å; H121-D125 PolarHBondContact O-N 3.49Å; D125-L127 PolarHBondContact O-N 2.82Å; D125-S128 PolarHBondContact O-N 3.07Å; D125-R129 WeakPolarHBondContact O-CG 3.22Å; D125-R129 PolarHBondContact O-N 2.84Å; D125-R129 IonicContact OD1-NE 3.76Å; D125-R129 IonicContact OD1-NH2 2.72Å; D125-R129 IonicContact OD2-CZ 3.44Å; D125-R129 IonicContact OD2-NE 2.79Å; D125-R129 PolarHBondContact OD2-NE 3.35Å; D125-R129 IonicContact OD2-NH2 3.65Å; D125-R129 PolarHBondContact OD2-NH2 2.99Å; D125-R129 VanDerWaalsContact OD2-NH2 3.11Å
126T96.3Very high96.8Very high55 Ų5527.5 Ų27.534%0.33713%0.133SC..Hα-helixtrans-61-45.2176.4-61.60000111.7F122 S128 W130F122-T126 WeakPolarHBondContact O-CB 3.33Å; F122-T126 PolarHBondContact O-N 3.19Å; F122-T126 PolarHBondContact O-OG1 2.83Å; T126-S128 PolarHBondContact O-N 2.99Å; T126-W130 VanDerWaalsContact O-CB 3.31Å; T126-W130 WeakPolarHBondContact O-CB 3.19Å; T126-W130 PolarHBondContact O-N 2.98Å
127L96.8Very high96.8Very high3 Ų326.9 Ų26.92%0.01613%0.13CC..Hα-helixtrans-60.7-45.1177175.269.3000111.6Y108 S123 Y124 D125 W130 T131 F375 K387 Y390Y108-L127 HydrophobicContact CD2-CD2 4.28Å; Y108-L127 HydrophobicContact CE1-CD2 4.01Å; Y108-L127 HydrophobicContact CE2-CD2 3.53Å; Y108-L127 WeakPolarHBondContact OH-CD2 3.26Å; S123-L127 WeakPolarHBondContact O-CB 3.38Å; S123-L127 PolarHBondContact O-N 3.02Å; Y124-L127 PolarHBondContact O-N 3.37Å; D125-L127 PolarHBondContact O-N 2.82Å; L127-W130 PolarHBondContact O-N 3.35Å; L127-T131 WeakPolarHBondContact O-CB 3.41Å; L127-T131 PolarHBondContact O-N 2.88Å; L127-T131 PolarHBondContact O-OG1 3.28Å; L127-F375 HydrophobicContact CD1-CE1 3.86Å; L127-F375 HydrophobicContact CD1-CZ 3.92Å; L127-F375 HydrophobicContact CD2-CD1 4.38Å; L127-F375 HydrophobicContact CD2-CE1 3.53Å; L127-F375 HydrophobicContact CD2-CZ 4.33Å; L127-F375 HydrophobicContact CG-CE1 4.34Å; L127-K387 HydrophobicContact CD1-CD 4.41Å; L127-K387 HydrophobicContact CD1-CG 4.23Å; L127-Y390 HydrophobicContact CD1-CE1 4.39Å
128S98.3Very high96.9Very high1 Ų126.4 Ų26.41%0.00713%0.125CC..Hα-helixtrans-67.2-42.6-177.8-62.60000111.7Y93 Y124 D125 T126 W130 T131 A132Y93-S128 VanDerWaalsContact CD2-CB 3.46Å; Y93-S128 VanDerWaalsContact CZ-CB 3.48Å; Y124-S128 VanDerWaalsContact O-CB 3.26Å; Y124-S128 WeakPolarHBondContact O-CB 3.34Å; Y124-S128 PolarHBondContact O-N 3.35Å; Y124-S128 PolarHBondContact O-OG 3.14Å; D125-S128 PolarHBondContact O-N 3.07Å; T126-S128 PolarHBondContact O-N 2.99Å; S128-W130 PolarHBondContact O-N 3.14Å; S128-T131 PolarHBondContact O-N 3.01Å; S128-A132 WeakPolarHBondContact O-CB 3.37Å; S128-A132 PolarHBondContact O-N 3.09Å
129R97.6Very high97Very high39 Ų3926 Ų2615%0.14712%0.122CC..Hα-helixtrans-58.2-47.8170.6-71175.8-167.5-88.8-7.4111.9T73 D75 Y93 D125 T131 A132 H133T73-R129 VanDerWaalsContact O-CZ 3.24Å; T73-R129 PolarHBondContact O-NH1 3.12Å; T73-R129 PolarHBondContact O-NH2 2.81Å; D75-R129 IonicContact OD2-CZ 3.86Å; D75-R129 IonicContact OD2-NH1 3.54Å; D75-R129 PolarHBondContact OD2-NH1 3Å; Y93-R129 HydrophobicContact CD1-CG 3.81Å; Y93-R129 HydrophobicContact CE1-CG 3.9Å; D125-R129 WeakPolarHBondContact O-CG 3.22Å; D125-R129 PolarHBondContact O-N 2.84Å; D125-R129 IonicContact OD1-NE 3.76Å; D125-R129 IonicContact OD1-NH2 2.72Å; D125-R129 IonicContact OD2-CZ 3.44Å; D125-R129 IonicContact OD2-NE 2.79Å; D125-R129 PolarHBondContact OD2-NE 3.35Å; D125-R129 IonicContact OD2-NH2 3.65Å; D125-R129 PolarHBondContact OD2-NH2 2.99Å; D125-R129 VanDerWaalsContact OD2-NH2 3.11Å; R129-T131 VanDerWaalsContact C-N 3.29Å; R129-T131 PolarHBondContact O-N 2.83Å; R129-A132 PolarHBondContact O-N 2.85Å; R129-H133 WeakPolarHBondContact O-CB 3.37Å; R129-H133 PolarHBondContact O-N 3.42Å
130W95.7Very high97Very high68 Ų6826 Ų2626%0.25812%0.122SC..Hα-helixtrans-63.2-40.5-178.1-166.825.8000111.7T126 L127 S128 K134 K387 N388 L391T126-W130 VanDerWaalsContact O-CB 3.31Å; T126-W130 WeakPolarHBondContact O-CB 3.19Å; T126-W130 PolarHBondContact O-N 2.98Å; L127-W130 PolarHBondContact O-N 3.35Å; S128-W130 PolarHBondContact O-N 3.14Å; W130-K134 HydrophobicContact CG-CD 4.49Å; W130-K134 HydrophobicContact CZ2-CD 4.34Å; W130-K134 WeakPolarHBondContact O-CB 3.49Å; W130-K134 PolarHBondContact O-N 3.11Å; W130-K387 HydrophobicContact CE3-CB 4.08Å; W130-K387 HydrophobicContact CE3-CD 4.17Å; W130-K387 HydrophobicContact CH2-CB 4.1Å; W130-K387 HydrophobicContact CZ3-CB 3.32Å; W130-K387 HydrophobicContact CZ3-CD 3.74Å; W130-K387 HydrophobicContact CZ3-CG 4.12Å; W130-N388 WeakPolarHBondContact CH2-OD1 3.02Å; W130-N388 WeakPolarHBondContact CZ2-OD1 3.41Å; W130-L391 HydrophobicContact CD2-CD1 3.44Å; W130-L391 VanDerWaalsContact CD2-CD1 3.44Å; W130-L391 HydrophobicContact CE3-CD1 3.6Å; W130-L391 HydrophobicContact CG-CD1 3.97Å; W130-L391 HydrophobicContact CH2-CD1 4.22Å; W130-L391 HydrophobicContact CZ2-CD1 4.12Å; W130-L391 HydrophobicContact CZ3-CD1 4.01Å
131T97.6Very high97Very high1 Ų125.6 Ų25.61%0.00612%0.119CC..Hα-helixtrans-65.1-49.2176.4-55.60000110.9L106 L127 S128 R129 H133 L135 V139 L391L106-T131 HydrophobicContact CD2-CG2 3.56Å; L127-T131 WeakPolarHBondContact O-CB 3.41Å; L127-T131 PolarHBondContact O-N 2.88Å; L127-T131 PolarHBondContact O-OG1 3.28Å; S128-T131 PolarHBondContact O-N 3.01Å; R129-T131 VanDerWaalsContact C-N 3.29Å; R129-T131 PolarHBondContact O-N 2.83Å; T131-H133 VanDerWaalsContact C-N 3.31Å; T131-H133 PolarHBondContact O-N 2.64Å; T131-L135 HydrophobicContact CG2-CD1 4.41Å; T131-L135 HydrophobicContact CG2-CD2 3.89Å; T131-L135 WeakPolarHBondContact O-CB 3.47Å; T131-L135 PolarHBondContact O-N 2.91Å; T131-V139 HydrophobicContact CG2-CG2 3.93Å; T131-L391 HydrophobicContact CG2-CD2 4.02Å; T131-L391 WeakPolarHBondContact OG1-CD2 3.16Å
132A97.9Very high97.1Very high0 Ų025.3 Ų25.30%012%0.118CC..Hα-helixtrans-56.8-46.1177.900000111.6V78 S128 R129 D136 A137 V139V78-A132 HydrophobicContact CG1-CB 4.29Å; V78-A132 HydrophobicContact CG2-CB 4.23Å; S128-A132 WeakPolarHBondContact O-CB 3.37Å; S128-A132 PolarHBondContact O-N 3.09Å; R129-A132 PolarHBondContact O-N 2.85Å; A132-D136 WeakPolarHBondContact O-CA 3.38Å; A132-D136 PolarHBondContact O-N 3.49Å; A132-D136 VanDerWaalsContact O-N 3.16Å; A132-A137 WeakPolarHBondContact CA-O 3.34Å; A132-A137 WeakPolarHBondContact CB-O 3.42Å; A132-A137 PolarHBondContact O-N 2.9Å; A132-A137 VanDerWaalsContact O-N 3.11Å; A132-V139 HydrophobicContact CB-CG2 3.98Å
133H95.5Very high97.2Very high91 Ų9122 Ų2242%0.42111%0.105SC..Hα-helixtrans-68.6-53.3-179.8-176.7-168000112.6H77 V78 R129 T131 L135H77-H133 AromaticContact CD2-CE1 3.92Å; H77-H133 AromaticContact CE1-CE1 3.91Å; H77-H133 AromaticContact CG-CE1 3.69Å; H77-H133 AromaticContact CG-ND1 3.87Å; H77-H133 AromaticContact ND1-CE1 3.69Å; H77-H133 AromaticContact ND1-NE2 3.95Å; V78-H133 HydrophobicContact CG2-CB 4.26Å; R129-H133 WeakPolarHBondContact O-CB 3.37Å; R129-H133 PolarHBondContact O-N 3.42Å; T131-H133 VanDerWaalsContact C-N 3.31Å; T131-H133 PolarHBondContact O-N 2.64Å; H133-L135 PolarHBondContact O-N 3Å
134K94.7Very high97.4Very high95 Ų9521.4 Ų21.441%0.41310%0.099SC..Hα-helixtrans-69.6-31.4-174.4-83.7-168.4164.6175.70113.7W130 N388 L391W130-K134 HydrophobicContact CG-CD 4.49Å; W130-K134 HydrophobicContact CZ2-CD 4.34Å; W130-K134 WeakPolarHBondContact O-CB 3.49Å; W130-K134 PolarHBondContact O-N 3.11Å; K134-N388 PolarHBondContact NZ-OD1 2.71Å; K134-N388 VanDerWaalsContact NZ-OD1 3.1Å; K134-L391 HydrophobicContact CD-CD1 3.91Å
135L95.2Very high97.4Very high3 Ų321.2 Ų21.22%0.01610%0.102CC..Hα-helixtrans-96.4-7.8-177.2-78.359.9000113R104 T131 H133 A137 L391 L394 I395R104-L135 WeakPolarHBondContact CD-O 3.33Å; R104-L135 PolarHBondContact NH1-O 2.92Å; T131-L135 HydrophobicContact CG2-CD1 4.41Å; T131-L135 HydrophobicContact CG2-CD2 3.89Å; T131-L135 WeakPolarHBondContact O-CB 3.47Å; T131-L135 PolarHBondContact O-N 2.91Å; H133-L135 PolarHBondContact O-N 3Å; L135-A137 VanDerWaalsContact C-N 3.27Å; L135-A137 HydrophobicContact CB-CB 3.73Å; L135-L391 HydrophobicContact CD1-CB 4.34Å; L135-L391 HydrophobicContact CD1-CD2 3.69Å; L135-L394 HydrophobicContact CD2-CB 3.59Å; L135-L394 HydrophobicContact CD2-CD1 3.88Å; L135-L394 HydrophobicContact CD2-CG 4.39Å; L135-L394 HydrophobicContact CG-CB 4.48Å; L135-I395 HydrophobicContact CD1-CD1 4.22Å; L135-I395 HydrophobicContact CD1-CG1 3.76Å; L135-I395 HydrophobicContact CG-CG1 3.89Å
136D95.9Very high97.4Very high29 Ų2922.6 Ų22.616%0.15511%0.109CC..THydrogen-bonded Turntrans47.956.3-162.6-170.832.1000109.8P95 S99 R103 R104 A132P95-D136 VanDerWaalsContact CG-OD1 3.27Å; P95-D136 WeakPolarHBondContact CG-OD1 3.08Å; S99-D136 VanDerWaalsContact CB-OD2 3.28Å; S99-D136 WeakPolarHBondContact CB-OD2 3.32Å; S99-D136 PolarHBondContact OG-OD2 2.78Å; R103-D136 WeakPolarHBondContact CB-O 3.45Å; R103-D136 IonicContact NE-OD1 3.51Å; R103-D136 PolarHBondContact NE-OD1 3.48Å; R103-D136 VanDerWaalsContact NE-OD1 3.17Å; R104-D136 PolarHBondContact N-O 2.95Å; A132-D136 WeakPolarHBondContact O-CA 3.38Å; A132-D136 PolarHBondContact O-N 3.49Å; A132-D136 VanDerWaalsContact O-N 3.16Å
137A97.7Very high97.5Very high0 Ų020 Ų200%09%0.093CC..EExtended strand (participates in β ladder)trans-119.8139.8-172.900000111.1P95 R104 A132 L135 V139P95-A137 VanDerWaalsContact CD-O 3.24Å; P95-A137 WeakPolarHBondContact CD-O 3.27Å; R104-A137 HydrophobicContact CB-CB 3.83Å; R104-A137 CarbonylContact O-C 3.5Å; R104-A137 VanDerWaalsContact O-CA 3.25Å; R104-A137 WeakPolarHBondContact O-CA 3.28Å; A132-A137 WeakPolarHBondContact CA-O 3.34Å; A132-A137 WeakPolarHBondContact CB-O 3.42Å; A132-A137 PolarHBondContact O-N 2.9Å; A132-A137 VanDerWaalsContact O-N 3.11Å; L135-A137 VanDerWaalsContact C-N 3.27Å; L135-A137 HydrophobicContact CB-CB 3.73Å; A137-V139 PolarHBondContact O-N 2.96Å
138V98.5Very high97.6Very high0 Ų020.7 Ų20.70%010%0.098CC..EExtended strand (participates in β ladder)trans-77.9118.8162.5178.20000107.4I92 Y93 I94 R104 G105 L106 V140 Y175 V177I92-V138 HydrophobicContact CG2-CG1 3.92Å; Y93-V138 WeakPolarHBondContact O-CA 3.44Å; I94-V138 HydrophobicContact CG1-CG1 4.45Å; R104-V138 PolarHBondContact O-N 2.96Å; G105-V138 WeakPolarHBondContact CA-O 3.42Å; L106-V138 PolarHBondContact N-O 2.91Å; V138-V140 HydrophobicContact CG1-CG2 4.48Å; V138-Y175 HydrophobicContact CG1-CG 4.44Å; V138-V177 HydrophobicContact CB-CG2 3.69Å; V138-V177 HydrophobicContact CG1-CG2 4.37Å; V138-V177 HydrophobicContact CG2-CG2 3.69Å
139V98.8Very high97.5Very high0 Ų028.5 Ų28.50%013%0.132CC..EExtended strand (participates in β ladder)trans-103.6127.6175.9-173.80000108.9I92 Y93 L106 T131 A132 A137I92-V139 CarbonylContact C-O 3.59Å; I92-V139 WeakPolarHBondContact CA-O 3.42Å; Y93-V139 HydrophobicContact CD2-CB 4.2Å; Y93-V139 HydrophobicContact CD2-CG1 4.41Å; Y93-V139 PolarHBondContact N-O 3.33Å; Y93-V139 PolarHBondContact O-N 2.92Å; L106-V139 HydrophobicContact CB-CG2 4.4Å; L106-V139 CarbonylContact O-C 3.59Å; L106-V139 VanDerWaalsContact O-CA 3.26Å; L106-V139 WeakPolarHBondContact O-CA 3.34Å; T131-V139 HydrophobicContact CG2-CG2 3.93Å; A132-V139 HydrophobicContact CB-CG2 3.98Å; A137-V139 PolarHBondContact O-N 2.96Å
140V98.9Very high97.5Very high0 Ų029.3 Ų29.30%014%0.137CC..EExtended strand (participates in β ladder)trans-111.4113.8172.4179.80000107F85 V90 I92 L106 F107 Y108 V138 F166F85-V140 HydrophobicContact CD2-CG1 4.01Å; F85-V140 HydrophobicContact CE2-CB 4.48Å; F85-V140 HydrophobicContact CE2-CG1 3.71Å; F85-V140 HydrophobicContact CE2-CG2 3.96Å; F85-V140 HydrophobicContact CZ-CG2 4.47Å; V90-V140 HydrophobicContact CB-CG1 3.91Å; V90-V140 HydrophobicContact CG1-CG1 4.02Å; V90-V140 HydrophobicContact CG2-CG1 4.26Å; I92-V140 HydrophobicContact CG1-CG2 4.38Å; I92-V140 HydrophobicContact CG2-CG2 4.39Å; L106-V140 PolarHBondContact O-N 3.12Å; F107-V140 CarbonylContact C-O 3.55Å; F107-V140 WeakPolarHBondContact CA-O 3.42Å; F107-V140 HydrophobicContact CD2-CB 3.91Å; F107-V140 HydrophobicContact CD2-CG1 3.84Å; F107-V140 HydrophobicContact CE2-CB 4.31Å; F107-V140 HydrophobicContact CE2-CG1 3.71Å; Y108-V140 PolarHBondContact N-O 2.77Å; V138-V140 HydrophobicContact CG1-CG2 4.48Å; V140-F166 HydrophobicContact CG2-CD1 4.46Å; V140-F166 HydrophobicContact CG2-CD2 3.78Å; V140-F166 HydrophobicContact CG2-CE1 4.33Å; V140-F166 HydrophobicContact CG2-CE2 3.64Å; V140-F166 HydrophobicContact CG2-CG 4.2Å; V140-F166 HydrophobicContact CG2-CZ 3.93Å
141S98.7Very high97.6Very high0 Ų028.7 Ų28.70%014%0.137CC..EExtended strand (participates in β ladder)trans-103.4124.6175.3-169.40000109V90 R91 Y108 A119V90-S141 CarbonylContact C-O 3.53Å; V90-S141 VanDerWaalsContact CA-O 3.3Å; V90-S141 WeakPolarHBondContact CA-O 3.23Å; R91-S141 PolarHBondContact N-O 2.78Å; R91-S141 PolarHBondContact O-N 3.44Å; Y108-S141 WeakPolarHBondContact O-CA 3.34Å; A119-S141 VanDerWaalsContact CB-OG 3.28Å; A119-S141 WeakPolarHBondContact CB-OG 3.31Å
142T98.7Very high97.7Very high0 Ų030.2 Ų30.20%014%0.143CC..EExtended strand (participates in β ladder)trans-95.9143.6-174-171.40000112.4F107 Y108 I109 H110 Y144 V159 S162F107-T142 HydrophobicContact CE1-CG2 3.57Å; F107-T142 HydrophobicContact CZ-CG2 3.8Å; Y108-T142 PolarHBondContact O-N 3.47Å; I109-T142 HydrophobicContact CB-CG2 4.46Å; I109-T142 HydrophobicContact CG1-CG2 4.05Å; I109-T142 HydrophobicContact CG2-CG2 4.27Å; H110-T142 PolarHBondContact CD2-O 2.64Å; H110-T142 VanDerWaalsContact CD2-O 3.3Å; T142-Y144 HydrophobicContact CG2-CD1 4.26Å; T142-V159 HydrophobicContact CG2-CG2 4.07Å; T142-S162 PolarHBondContact OG1-OG 3.14Å
143D98.3Very high97.7Very high37 Ų3732.6 Ų32.620%0.19816%0.159CC..  trans-110.385.6173-74.9-48.3000109.1P89 S118 A119P89-D143 HydrophobicContact CB-CB 4.14Å; P89-D143 PolarHBondContact O-N 3.48Å; S118-D143 VanDerWaalsContact CA-OD1 3.28Å; S118-D143 WeakPolarHBondContact CA-OD1 3.3Å; S118-D143 WeakPolarHBondContact CB-OD1 3.48Å; A119-D143 WeakPolarHBondContact CB-OD1 3.4Å; A119-D143 PolarHBondContact N-OD1 3.42Å
144Y98.6Very high97.8Very high7 Ų732.3 Ų32.33%0.02715%0.154CC..PPolyproline II helixtrans-79.9156.3-17957.9-98.3000111.8I109 H110 T142 L146 Q155 V159 L193I109-Y144 HydrophobicContact CG2-CD1 3.99Å; I109-Y144 HydrophobicContact CG2-CE1 3.61Å; H110-Y144 AromaticContact CD2-CE1 3.94Å; H110-Y144 AromaticContact CE1-CE1 3.59Å; H110-Y144 AromaticContact CE1-CZ 3.46Å; H110-Y144 VanDerWaalsContact CE1-CZ 3.46Å; H110-Y144 PolarHBondContact CE1-OH 2.83Å; H110-Y144 AromaticContact ND1-CE1 3.97Å; H110-Y144 AromaticContact ND1-CZ 3.91Å; H110-Y144 PolarHBondContact ND1-OH 3.01Å; H110-Y144 AromaticContact NE2-CE1 3.56Å; H110-Y144 AromaticContact NE2-CZ 3.87Å; H110-Y144 PolarHBondContact O-OH 2.83Å; H110-Y144 VanDerWaalsContact O-OH 3.06Å; T142-Y144 HydrophobicContact CG2-CD1 4.26Å; Y144-L146 HydrophobicContact CD2-CD2 3.88Å; Y144-L146 HydrophobicContact CE2-CD2 3.42Å; Y144-L146 VanDerWaalsContact CE2-CD2 3.42Å; Y144-L146 PolarHBondContact O-N 2.82Å; Y144-Q155 HydrophobicContact CD2-CB 3.89Å; Y144-Q155 HydrophobicContact CD2-CG 3.66Å; Y144-Q155 HydrophobicContact CE2-CB 4.29Å; Y144-Q155 HydrophobicContact CE2-CG 3.84Å; Y144-V159 HydrophobicContact CD1-CG2 3.74Å; Y144-V159 HydrophobicContact CG-CG2 4.03Å; Y144-L193 HydrophobicContact CD1-CD1 4.14Å; Y144-L193 HydrophobicContact CD2-CD1 4.4Å; Y144-L193 HydrophobicContact CE1-CD1 3.76Å; Y144-L193 HydrophobicContact CE2-CD1 4.04Å; Y144-L193 HydrophobicContact CG-CD1 4.45Å
145G98.1Very high98Very high11 Ų1127.8 Ų27.811%0.11313%0.134CC..PPolyproline II helixtrans-61.2131.3178.500000113.1Q155 D158G145-Q155 VanDerWaalsContact O-CD 3.24Å; G145-Q155 WeakPolarHBondContact O-CG 3.33Å; G145-Q155 PolarHBondContact O-NE2 3.33Å; G145-D158 PolarHBondContact N-OD2 2.92Å
146L98.6Very high98.2Very high35 Ų3528 Ų2818%0.18314%0.135CC..PPolyproline II helixtrans-100.4147.6-175.5-58.2177000113.3W114 Y144 K149 H150W114-L146 WeakPolarHBondContact O-CA 3.26Å; Y144-L146 HydrophobicContact CD2-CD2 3.88Å; Y144-L146 HydrophobicContact CE2-CD2 3.42Å; Y144-L146 VanDerWaalsContact CE2-CD2 3.42Å; Y144-L146 PolarHBondContact O-N 2.82Å; L146-K149 PolarHBondContact O-N 2.94Å; L146-H150 CarbonylContact C-O 3.54Å; L146-H150 PolarHBondContact O-N 3Å
147A98.3Very high98.3Very high0 Ų030.9 Ų30.90%015%0.148CC..THydrogen-bonded Turntrans-71.1146.3165.900000110.1Q62 W114 C115 H150 E251Q62-A147 PolarHBondContact NE2-O 3.3Å; W114-A147 PolarHBondContact O-N 2.89Å; C115-A147 WeakPolarHBondContact CA-O 3.41Å; A147-H150 VanDerWaalsContact CA-O 3.31Å; A147-H150 WeakPolarHBondContact CA-O 3.46Å; A147-H150 PolarHBondContact N-O 2.83Å; A147-E251 WeakPolarHBondContact CB-O 3.27Å
148P97.1Very high98.4Very high17 Ų1731 Ų3111%0.1115%0.149CC..THydrogen-bonded Turncis-89.3-1013.138-37.2000113.2E59 H150 H151 T255E59-P148 HydrophobicContact CG-CG 4.18Å; P148-H150 PolarHBondContact O-N 3.09Å; P148-H151 PolarHBondContact O-CE1 3.33Å; P148-H151 PolarHBondContact O-NE2 3.02Å; P148-T255 HydrophobicContact CB-CG2 3.65Å
149K97.3Very high98.4Very high166 Ų16631 Ų3172%0.72215%0.149SC*.THydrogen-bonded Turntrans-61.9-35.2-178.3-174.4177.8178.1179.10112L146L146-K149 PolarHBondContact O-N 2.94Å
150H97.9Very high98.4Very high56 Ų5633.2 Ų33.226%0.25916%0.157SC..SBendtrans-133.3107.7178.5-63.9-47.2000109.9L146 A147 P148 R154 Q155L146-H150 CarbonylContact C-O 3.54Å; L146-H150 PolarHBondContact O-N 3Å; A147-H150 VanDerWaalsContact CA-O 3.31Å; A147-H150 WeakPolarHBondContact CA-O 3.46Å; A147-H150 PolarHBondContact N-O 2.83Å; P148-H150 PolarHBondContact O-N 3.09Å; H150-R154 HydrophobicContact CB-CB 3.89Å; H150-R154 HydrophobicContact CB-CG 3.73Å; H150-R154 PolarHBondContact CE1-NH1 3.15Å; H150-Q155 PolarHBondContact O-NE2 2.76Å; H150-Q155 PolarHBondContact O-OE1 3.21Å
151H98.3Very high98.4Very high54 Ų5437.3 Ų37.325%0.2517%0.173CC..  trans-82.6168.3171.5-59.1-60.7000111.1P148 R154 Q155 E251 Y252 T255P148-H151 PolarHBondContact O-CE1 3.33Å; P148-H151 PolarHBondContact O-NE2 3.02Å; H151-R154 WeakPolarHBondContact O-CB 3.28Å; H151-R154 PolarHBondContact O-N 3.06Å; H151-R154 VanDerWaalsContact O-N 3.09Å; H151-Q155 PolarHBondContact O-OE1 3.5Å; H151-E251 PolarHBondContact CE1-O 2.93Å; H151-E251 PolarHBondContact ND1-O 3.39Å; H151-Y252 CarbonylContact C-O 3.52Å; H151-Y252 WeakPolarHBondContact CA-O 3.49Å; H151-T255 PolarHBondContact CE1-N 3.36Å
152F98.6Very high98.4Very high33 Ų3337.3 Ų37.315%0.14517%0.173CC..THydrogen-bonded Turntrans-47.2135.6169.7177.5-91.7000110.4Y252 F253 D315 K317 A318F152-Y252 HydrophobicContact CB-CD2 3.97Å; F152-Y252 HydrophobicContact CB-CE2 3.78Å; F152-Y252 HydrophobicContact CB-CG 4.44Å; F152-Y252 WeakPolarHBondContact CB-O 3.05Å; F152-Y252 HydrophobicContact CD2-CE1 4.03Å; F152-Y252 HydrophobicContact CD2-CE2 4.02Å; F152-Y252 AromaticContact CD2-CZ 3.58Å; F152-Y252 WeakPolarHBondContact CD2-OH 3.25Å; F152-Y252 HydrophobicContact CG-CE2 4.42Å; F152-Y252 PolarHBondContact N-O 3.1Å; F152-F253 HydrophobicContact CB-CD1 3.85Å; F152-F253 HydrophobicContact CB-CE1 4.26Å; F152-F253 HydrophobicContact CD1-CD1 4.41Å; F152-F253 HydrophobicContact CG-CD1 4.16Å; F152-F253 HydrophobicContact CG-CE1 4.22Å; F152-D315 HydrophobicContact CE1-CB 4.21Å; F152-D315 HydrophobicContact CZ-CB 3.99Å; F152-K317 HydrophobicContact CE2-CB 4Å; F152-K317 HydrophobicContact CZ-CB 3.97Å; F152-A318 HydrophobicContact CD2-CB 3.9Å; F152-A318 HydrophobicContact CE2-CB 3.67Å; F152-A318 HydrophobicContact CZ-CB 4.2Å
153P98.3Very high98.4Very high50 Ų5037.3 Ų37.333%0.32517%0.173SC..THydrogen-bonded Turncis-93.711.612.336.8-37.3000116.3Q155 F156 E157P153-Q155 PolarHBondContact O-N 3.41Å; P153-F156 WeakPolarHBondContact O-CB 3.28Å; P153-F156 PolarHBondContact O-N 3.02Å; P153-E157 HydrophobicContact CB-CG 4.28Å; P153-E157 HydrophobicContact CG-CG 4.38Å; P153-E157 WeakPolarHBondContact CG-OE1 3.46Å; P153-E157 PolarHBondContact O-N 2.85Å
154R98.5Very high98.4Very high85 Ų8539.4 Ų39.432%0.32118%0.178SC..Hα-helixtrans-56.9-43-166.1-177.360.8-172.8-68.6-15.5114.6H150 H151 F156 E157 D158H150-R154 HydrophobicContact CB-CB 3.89Å; H150-R154 HydrophobicContact CB-CG 3.73Å; H150-R154 PolarHBondContact CE1-NH1 3.15Å; H151-R154 WeakPolarHBondContact O-CB 3.28Å; H151-R154 PolarHBondContact O-N 3.06Å; H151-R154 VanDerWaalsContact O-N 3.09Å; R154-F156 VanDerWaalsContact C-N 3.33Å; R154-F156 PolarHBondContact O-N 3.32Å; R154-E157 PolarHBondContact O-N 3.27Å; R154-D158 IonicContact CZ-OD1 3.92Å; R154-D158 IonicContact CZ-OD2 2.88Å; R154-D158 IonicContact NE-OD1 3.51Å; R154-D158 PolarHBondContact NE-OD1 3.12Å; R154-D158 IonicContact NE-OD2 3.13Å; R154-D158 PolarHBondContact NE-OD2 3.19Å; R154-D158 IonicContact NH2-OD1 2.93Å; R154-D158 PolarHBondContact NH2-OD1 3.37Å; R154-D158 IonicContact NH2-OD2 2.86Å; R154-D158 PolarHBondContact NH2-OD2 3.25Å; R154-D158 VanDerWaalsContact NH2-OD2 3.13Å; R154-D158 WeakPolarHBondContact O-CB 3.34Å; R154-D158 PolarHBondContact O-N 3.02Å
155Q98.7Very high98.4Very high0 Ų043.4 Ų43.40%019%0.193CC..Hα-helixtrans-56.6-48.3177.2-68.371.6-4.700110.9W114 Y144 G145 H150 H151 P153 V159 L193 Y252W114-Q155 HydrophobicContact CB-CG 4.04Å; W114-Q155 PolarHBondContact O-NE2 3.46Å; Y144-Q155 HydrophobicContact CD2-CB 3.89Å; Y144-Q155 HydrophobicContact CD2-CG 3.66Å; Y144-Q155 HydrophobicContact CE2-CB 4.29Å; Y144-Q155 HydrophobicContact CE2-CG 3.84Å; G145-Q155 VanDerWaalsContact O-CD 3.24Å; G145-Q155 WeakPolarHBondContact O-CG 3.33Å; G145-Q155 PolarHBondContact O-NE2 3.33Å; H150-Q155 PolarHBondContact O-NE2 2.76Å; H150-Q155 PolarHBondContact O-OE1 3.21Å; H151-Q155 PolarHBondContact O-OE1 3.5Å; P153-Q155 PolarHBondContact O-N 3.41Å; Q155-V159 VanDerWaalsContact O-CG2 3.32Å; Q155-V159 WeakPolarHBondContact O-CG2 3.31Å; Q155-V159 PolarHBondContact O-N 3.38Å; Q155-V159 VanDerWaalsContact O-N 3.11Å; Q155-L193 HydrophobicContact CB-CD1 4.33Å; Q155-L193 HydrophobicContact CB-CD2 4.05Å; Q155-Y252 HydrophobicContact CB-CE2 3.86Å; Q155-Y252 VanDerWaalsContact CD-CE2 3.46Å; Q155-Y252 HydrophobicContact CG-CD2 4.3Å; Q155-Y252 HydrophobicContact CG-CE2 3.74Å
156F98.8Very high98.4Very high7 Ų742.9 Ų42.93%0.03119%0.188CC..Hα-helixtrans-64.4-44.8179.4168.6-86.6000110.7P153 R154 V159 Y160 L193 A196 V197 Q200 K317P153-F156 WeakPolarHBondContact O-CB 3.28Å; P153-F156 PolarHBondContact O-N 3.02Å; R154-F156 VanDerWaalsContact C-N 3.33Å; R154-F156 PolarHBondContact O-N 3.32Å; F156-V159 PolarHBondContact O-N 3.06Å; F156-Y160 VanDerWaalsContact O-CB 3.25Å; F156-Y160 WeakPolarHBondContact O-CB 3.28Å; F156-Y160 PolarHBondContact O-N 2.9Å; F156-L193 HydrophobicContact CB-CD2 4.17Å; F156-A196 HydrophobicContact CD2-CB 3.83Å; F156-A196 HydrophobicContact CE2-CB 3.85Å; F156-V197 HydrophobicContact CD2-CG1 4.03Å; F156-V197 HydrophobicContact CE2-CG1 4.01Å; F156-Q200 HydrophobicContact CE2-CB 4.31Å; F156-Q200 HydrophobicContact CZ-CB 3.77Å; F156-Q200 HydrophobicContact CZ-CG 3.85Å; F156-K317 HydrophobicContact CD1-CB 4.32Å; F156-K317 HydrophobicContact CD1-CD 4.07Å; F156-K317 HydrophobicContact CD1-CG 4.41Å; F156-K317 HydrophobicContact CD2-CB 3.9Å; F156-K317 HydrophobicContact CD2-CG 4.38Å; F156-K317 HydrophobicContact CE1-CB 4.33Å; F156-K317 HydrophobicContact CE1-CD 3.65Å; F156-K317 HydrophobicContact CE1-CG 3.96Å; F156-K317 HydrophobicContact CE2-CB 3.88Å; F156-K317 HydrophobicContact CE2-CD 4.5Å; F156-K317 HydrophobicContact CE2-CG 3.9Å; F156-K317 HydrophobicContact CG-CB 4.12Å; F156-K317 HydrophobicContact CZ-CB 4.1Å; F156-K317 HydrophobicContact CZ-CD 3.88Å; F156-K317 HydrophobicContact CZ-CG 3.66Å
157E98.7Very high98.4Very high90 Ų9041.6 Ų41.642%0.42118%0.181SC..Hα-helixtrans-62.5-45.8179.1-69.7175.2162.900112P153 R154 Y160 R161P153-E157 HydrophobicContact CB-CG 4.28Å; P153-E157 HydrophobicContact CG-CG 4.38Å; P153-E157 WeakPolarHBondContact CG-OE1 3.46Å; P153-E157 PolarHBondContact O-N 2.85Å; R154-E157 PolarHBondContact O-N 3.27Å; E157-Y160 PolarHBondContact O-N 3.46Å; E157-R161 VanDerWaalsContact O-CB 3.3Å; E157-R161 WeakPolarHBondContact O-CB 3.28Å; E157-R161 WeakPolarHBondContact O-CG 3.33Å; E157-R161 PolarHBondContact O-N 2.81Å
158D98.8Very high98.4Very high3 Ų344.5 Ų44.52%0.01620%0.195CC..Hα-helixtrans-62-46.1178.5-78.3-9.5000111.2V88 G145 R154 S162V88-D158 HydrophobicContact CG1-CB 3.99Å; V88-D158 HydrophobicContact CG2-CB 3.88Å; G145-D158 PolarHBondContact N-OD2 2.92Å; R154-D158 IonicContact CZ-OD1 3.92Å; R154-D158 IonicContact CZ-OD2 2.88Å; R154-D158 IonicContact NE-OD1 3.51Å; R154-D158 PolarHBondContact NE-OD1 3.12Å; R154-D158 IonicContact NE-OD2 3.13Å; R154-D158 PolarHBondContact NE-OD2 3.19Å; R154-D158 IonicContact NH2-OD1 2.93Å; R154-D158 PolarHBondContact NH2-OD1 3.37Å; R154-D158 IonicContact NH2-OD2 2.86Å; R154-D158 PolarHBondContact NH2-OD2 3.25Å; R154-D158 VanDerWaalsContact NH2-OD2 3.13Å; R154-D158 WeakPolarHBondContact O-CB 3.34Å; R154-D158 PolarHBondContact O-N 3.02Å; D158-S162 WeakPolarHBondContact O-CB 3.29Å; D158-S162 PolarHBondContact O-N 3.45Å; D158-S162 PolarHBondContact O-OG 2.92Å
159V98.9Very high98.5Very high0 Ų050.2 Ų50.20%022%0.22CC..Hα-helixtrans-64.3-44.6176.8175.70000111.2F107 I109 T142 Y144 Q155 F156 S162 L163 L193 V197F107-V159 HydrophobicContact CE1-CG1 4.17Å; I109-V159 HydrophobicContact CD1-CG1 3.4Å; I109-V159 HydrophobicContact CG1-CG1 3.87Å; I109-V159 HydrophobicContact CG2-CG2 4.02Å; T142-V159 HydrophobicContact CG2-CG2 4.07Å; Y144-V159 HydrophobicContact CD1-CG2 3.74Å; Y144-V159 HydrophobicContact CG-CG2 4.03Å; Q155-V159 VanDerWaalsContact O-CG2 3.32Å; Q155-V159 WeakPolarHBondContact O-CG2 3.31Å; Q155-V159 PolarHBondContact O-N 3.38Å; Q155-V159 VanDerWaalsContact O-N 3.11Å; F156-V159 PolarHBondContact O-N 3.06Å; V159-S162 PolarHBondContact O-OG 3Å; V159-L163 WeakPolarHBondContact O-CB 3.34Å; V159-L163 PolarHBondContact O-N 2.79Å; V159-L193 HydrophobicContact CG1-CB 4.47Å; V159-L193 HydrophobicContact CG2-CB 4.32Å; V159-L193 HydrophobicContact CG2-CD1 4.06Å; V159-V197 HydrophobicContact CB-CG1 4.07Å; V159-V197 HydrophobicContact CG1-CB 4.41Å; V159-V197 HydrophobicContact CG1-CG1 3.67Å; V159-V197 HydrophobicContact CG1-CG2 4.03Å
160Y98.8Very high98.5Very high47 Ų4747 Ų4718%0.18421%0.211CC..Hα-helixtrans-63.1-44.6179.4170.9-110.2000111.7F156 E157 R164 Q200 L201 D204F156-Y160 VanDerWaalsContact O-CB 3.25Å; F156-Y160 WeakPolarHBondContact O-CB 3.28Å; F156-Y160 PolarHBondContact O-N 2.9Å; E157-Y160 PolarHBondContact O-N 3.46Å; Y160-R164 WeakPolarHBondContact O-CB 3.47Å; Y160-R164 PolarHBondContact O-N 3.44Å; Y160-Q200 HydrophobicContact CD2-CB 4.28Å; Y160-Q200 HydrophobicContact CD2-CG 3.75Å; Y160-Q200 HydrophobicContact CE2-CB 4.33Å; Y160-Q200 HydrophobicContact CE2-CG 3.52Å; Y160-Q200 HydrophobicContact CG-CG 4.4Å; Y160-L201 HydrophobicContact CD2-CD2 4.05Å; Y160-L201 HydrophobicContact CD2-CG 4.43Å; Y160-L201 HydrophobicContact CE2-CD2 3.75Å; Y160-L201 HydrophobicContact CE2-CG 4.36Å; Y160-D204 VanDerWaalsContact OH-CG 3.28Å; Y160-D204 PolarHBondContact OH-OD2 3.23Å
161R98.5Very high98.5Very high85 Ų8544.8 Ų44.832%0.32120%0.201SC..Hα-helixtrans-62.3-50.1177.3-74.9176.970.6-152.31.2112.3D86 E157 R164 W165D86-R161 HydrophobicContact CB-CB 4.26Å; D86-R161 PolarHBondContact O-NH2 2.79Å; D86-R161 IonicContact OD1-CZ 2.79Å; D86-R161 IonicContact OD1-NE 3.43Å; D86-R161 IonicContact OD1-NH2 3.13Å; D86-R161 PolarHBondContact OD1-NH2 2.72Å; D86-R161 WeakPolarHBondContact OD2-CB 3.36Å; D86-R161 IonicContact OD2-CZ 3.24Å; D86-R161 IonicContact OD2-NE 3.55Å; D86-R161 PolarHBondContact OD2-NE 3.13Å; D86-R161 IonicContact OD2-NH2 3.39Å; D86-R161 PolarHBondContact OD2-NH2 3.41Å; E157-R161 VanDerWaalsContact O-CB 3.3Å; E157-R161 WeakPolarHBondContact O-CB 3.28Å; E157-R161 WeakPolarHBondContact O-CG 3.33Å; E157-R161 PolarHBondContact O-N 2.81Å; R161-R164 PolarHBondContact O-N 3.02Å; R161-W165 WeakPolarHBondContact O-CB 3.36Å; R161-W165 PolarHBondContact O-N 3.31Å
162S98.8Very high98.5Very high0 Ų042.3 Ų42.30%019%0.189CC..Hα-helixtrans-66.6-37.1-179.849.90000113.1F107 T142 D158 V159 F166F107-S162 WeakPolarHBondContact CZ-OG 3.22Å; T142-S162 PolarHBondContact OG1-OG 3.14Å; D158-S162 WeakPolarHBondContact O-CB 3.29Å; D158-S162 PolarHBondContact O-N 3.45Å; D158-S162 PolarHBondContact O-OG 2.92Å; V159-S162 PolarHBondContact O-OG 3Å; S162-F166 PolarHBondContact O-N 3.4Å
163L98.8Very high98.4Very high0 Ų048.1 Ų48.10%022%0.217CC..Hα-helixtrans-69.7-44.7173.917855.3000111.9F107 V159 W165 F166 L167 V184 V197 L201 L211F107-L163 HydrophobicContact CB-CD1 3.7Å; F107-L163 HydrophobicContact CD1-CB 4.27Å; F107-L163 HydrophobicContact CD1-CD1 4.13Å; F107-L163 HydrophobicContact CD2-CB 4.35Å; F107-L163 HydrophobicContact CD2-CD1 3.87Å; F107-L163 HydrophobicContact CE1-CB 4.11Å; F107-L163 HydrophobicContact CE2-CB 4.2Å; F107-L163 HydrophobicContact CG-CB 4.39Å; F107-L163 HydrophobicContact CG-CD1 3.64Å; F107-L163 HydrophobicContact CG-CG 4.49Å; F107-L163 HydrophobicContact CZ-CB 4.07Å; V159-L163 WeakPolarHBondContact O-CB 3.34Å; V159-L163 PolarHBondContact O-N 2.79Å; L163-W165 VanDerWaalsContact C-N 3.27Å; L163-W165 PolarHBondContact O-N 3.49Å; L163-F166 HydrophobicContact CD1-CD1 4.45Å; L163-F166 PolarHBondContact O-N 3.39Å; L163-F166 VanDerWaalsContact O-N 3.12Å; L163-L167 HydrophobicContact CD1-CD1 4.11Å; L163-L167 HydrophobicContact CD1-CG 4.15Å; L163-L167 HydrophobicContact CG-CD1 4.12Å; L163-L167 VanDerWaalsContact O-CG 3.3Å; L163-L167 WeakPolarHBondContact O-CG 3.28Å; L163-L167 PolarHBondContact O-N 2.89Å; L163-V184 HydrophobicContact CD2-CG2 4.2Å; L163-V197 HydrophobicContact CD2-CB 4.41Å; L163-V197 HydrophobicContact CD2-CG2 3.57Å; L163-L201 HydrophobicContact CD2-CD1 3.52Å; L163-L201 HydrophobicContact CG-CD1 3.92Å; L163-L211 HydrophobicContact CD1-CD2 4.44Å; L163-L211 HydrophobicContact CD2-CD1 4.42Å
164R98.5Very high98.3Very high81 Ų8153 Ų5331%0.30623%0.233SC..Hα-helixtrans-59.1-39.9175.3-179.4172.6-178.9-83.25.2111.4Y160 R161 L167 D204 D206 V207Y160-R164 WeakPolarHBondContact O-CB 3.47Å; Y160-R164 PolarHBondContact O-N 3.44Å; R161-R164 PolarHBondContact O-N 3.02Å; R164-L167 PolarHBondContact O-N 3.3Å; R164-D204 IonicContact NE-OD2 3.05Å; R164-D204 PolarHBondContact NE-OD2 2.85Å; R164-D206 IonicContact NH2-OD2 3.61Å; R164-D206 PolarHBondContact NH2-OD2 3.08Å; R164-V207 HydrophobicContact CG-CG2 3.93Å
165W98.6Very high98.2Very high91 Ų9149.8 Ų49.835%0.34522%0.221SC..Hα-helixtrans-62.4-46.4172.7-176-79.9000112F85 D86 R161 L163 L167 Q168 V171F85-W165 HydrophobicContact CB-CB 3.99Å; F85-W165 VanDerWaalsContact CB-CD1 3.46Å; F85-W165 HydrophobicContact CB-CG 3.76Å; F85-W165 AromaticContact CD1-CD1 3.46Å; F85-W165 VanDerWaalsContact CD1-CD1 3.46Å; F85-W165 AromaticContact CD1-NE1 3.57Å; F85-W165 AromaticContact CD2-CD1 3.76Å; F85-W165 AromaticContact CG-CD1 3.27Å; F85-W165 HydrophobicContact CG-CG 4.07Å; F85-W165 AromaticContact CG-NE1 3.89Å; D86-W165 HydrophobicContact CB-CB 4.26Å; D86-W165 HydrophobicContact CB-CD2 4.25Å; D86-W165 HydrophobicContact CB-CE3 3.75Å; D86-W165 HydrophobicContact CB-CG 4.48Å; D86-W165 HydrophobicContact CB-CZ3 4.49Å; R161-W165 WeakPolarHBondContact O-CB 3.36Å; R161-W165 PolarHBondContact O-N 3.31Å; L163-W165 VanDerWaalsContact C-N 3.27Å; L163-W165 PolarHBondContact O-N 3.49Å; W165-L167 PolarHBondContact O-N 3.21Å; W165-Q168 WeakPolarHBondContact O-CB 3.33Å; W165-Q168 WeakPolarHBondContact O-CG 3.36Å; W165-Q168 PolarHBondContact O-N 2.81Å; W165-V171 WeakPolarHBondContact O-CG2 3.5Å
166F98.6Very high98.1Very high0 Ų050.7 Ų50.70%023%0.23CC..Hα-helixtrans-60.5-31.1177.7179.9-130.3000113.2F85 F107 V140 S162 L163 Q168 V171 L172 V177 V182F85-F166 HydrophobicContact CD2-CB 4Å; F85-F166 HydrophobicContact CE2-CB 3.85Å; F85-F166 AromaticContact CE2-CD2 3.84Å; F85-F166 HydrophobicContact CE2-CD2 3.84Å; F85-F166 HydrophobicContact CE2-CG 4.18Å; F85-F166 HydrophobicContact CZ-CD2 4.49Å; F107-F166 HydrophobicContact CB-CD1 4.24Å; F107-F166 HydrophobicContact CB-CE1 4.48Å; F107-F166 HydrophobicContact CD2-CB 4.14Å; F107-F166 AromaticContact CD2-CD1 3.88Å; F107-F166 HydrophobicContact CD2-CD1 3.88Å; F107-F166 HydrophobicContact CD2-CG 4.26Å; F107-F166 HydrophobicContact CE2-CB 4.39Å; V140-F166 HydrophobicContact CG2-CD1 4.46Å; V140-F166 HydrophobicContact CG2-CD2 3.78Å; V140-F166 HydrophobicContact CG2-CE1 4.33Å; V140-F166 HydrophobicContact CG2-CE2 3.64Å; V140-F166 HydrophobicContact CG2-CG 4.2Å; V140-F166 HydrophobicContact CG2-CZ 3.93Å; S162-F166 PolarHBondContact O-N 3.4Å; L163-F166 HydrophobicContact CD1-CD1 4.45Å; L163-F166 PolarHBondContact O-N 3.39Å; L163-F166 VanDerWaalsContact O-N 3.12Å; F166-Q168 VanDerWaalsContact C-N 3.29Å; F166-Q168 PolarHBondContact O-N 3.43Å; F166-V171 HydrophobicContact CD2-CG1 4.24Å; F166-L172 HydrophobicContact CD2-CD2 4.35Å; F166-L172 HydrophobicContact CE2-CD2 4.03Å; F166-L172 HydrophobicContact CZ-CD2 4.17Å; F166-L172 WeakPolarHBondContact O-CD2 3.06Å; F166-L172 WeakPolarHBondContact O-CG 3.4Å; F166-V177 HydrophobicContact CZ-CG2 4.47Å; F166-V182 HydrophobicContact CD1-CG1 4.21Å; F166-V182 HydrophobicContact CE1-CG1 3.72Å
167L98.7Very high98.1Very high8 Ų850.5 Ų50.54%0.04223%0.23CC..THydrogen-bonded Turntrans-80.2-0.3-179.4-68.4171.8000114.6L163 R164 W165 V182 L201 V207 I209 L211L163-L167 HydrophobicContact CD1-CD1 4.11Å; L163-L167 HydrophobicContact CD1-CG 4.15Å; L163-L167 HydrophobicContact CG-CD1 4.12Å; L163-L167 VanDerWaalsContact O-CG 3.3Å; L163-L167 WeakPolarHBondContact O-CG 3.28Å; L163-L167 PolarHBondContact O-N 2.89Å; R164-L167 PolarHBondContact O-N 3.3Å; W165-L167 PolarHBondContact O-N 3.21Å; L167-V182 HydrophobicContact CD2-CB 4.12Å; L167-V182 HydrophobicContact CD2-CG1 3.72Å; L167-V182 HydrophobicContact CD2-CG2 4.42Å; L167-L201 HydrophobicContact CD1-CD1 3.84Å; L167-L201 HydrophobicContact CD1-CD2 4.22Å; L167-V207 HydrophobicContact CD1-CG1 4.04Å; L167-I209 HydrophobicContact CB-CB 4.38Å; L167-I209 HydrophobicContact CD2-CB 4.27Å; L167-I209 HydrophobicContact CD2-CG2 3.93Å; L167-I209 VanDerWaalsContact O-CG1 3.22Å; L167-I209 WeakPolarHBondContact O-CG1 3.28Å; L167-L211 HydrophobicContact CD1-CD2 4.45Å; L167-L211 HydrophobicContact CD2-CD2 4.08Å
168Q98.3Very high98Very high62 Ų6246.9 Ų46.929%0.2921%0.213SC..SBendtrans-70.2140.6174.5-63.1178.2-4.600111W165 F166 D170 V171 L172W165-Q168 WeakPolarHBondContact O-CB 3.33Å; W165-Q168 WeakPolarHBondContact O-CG 3.36Å; W165-Q168 PolarHBondContact O-N 2.81Å; F166-Q168 VanDerWaalsContact C-N 3.29Å; F166-Q168 PolarHBondContact O-N 3.43Å; Q168-D170 VanDerWaalsContact C-N 3.33Å; Q168-D170 VanDerWaalsContact CB-OD1 3.24Å; Q168-D170 WeakPolarHBondContact CB-OD1 3.38Å; Q168-D170 PolarHBondContact O-N 3.41Å; Q168-V171 HydrophobicContact CB-CB 4.26Å; Q168-V171 HydrophobicContact CB-CG2 3.98Å; Q168-V171 PolarHBondContact O-N 2.85Å; Q168-V171 VanDerWaalsContact O-N 3.14Å; Q168-L172 WeakPolarHBondContact O-CG 3.29Å; Q168-L172 PolarHBondContact O-N 3.41Å
169E97.4Very high98Very high136 Ų13649 Ų4964%0.63623%0.227SC*.Hα-helixtrans-60.3-41.1-173.5-67.6-175.3169.600112.8L172 E173 I209E169-L172 PolarHBondContact O-N 3.43Å; E169-E173 WeakPolarHBondContact O-CB 3.36Å; E169-E173 PolarHBondContact O-N 2.85Å; E169-I209 HydrophobicContact CG-CD1 4.31Å
170D97.6Very high97.9Very high100 Ų10057.7 Ų57.754%0.53526%0.26SS..Hα-helixtrans-67.3-35.4177.365.6-40.9000112.3Q168 K174Q168-D170 VanDerWaalsContact C-N 3.33Å; Q168-D170 VanDerWaalsContact CB-OD1 3.24Å; Q168-D170 WeakPolarHBondContact CB-OD1 3.38Å; Q168-D170 PolarHBondContact O-N 3.41Å; D170-K174 VanDerWaalsContact O-CB 3.26Å; D170-K174 WeakPolarHBondContact O-CB 3.3Å; D170-K174 PolarHBondContact O-N 2.98Å
171V98.1Very high97.9Very high8 Ų858.1 Ų58.15%0.04826%0.261CS..Hα-helixtrans-68.2-44.3174.2179.30000110.7F85 W165 F166 Q168 K174 Y175F85-V171 HydrophobicContact CE2-CG1 4.49Å; F85-V171 HydrophobicContact CZ-CG1 4.19Å; W165-V171 WeakPolarHBondContact O-CG2 3.5Å; F166-V171 HydrophobicContact CD2-CG1 4.24Å; Q168-V171 HydrophobicContact CB-CB 4.26Å; Q168-V171 HydrophobicContact CB-CG2 3.98Å; Q168-V171 PolarHBondContact O-N 2.85Å; Q168-V171 VanDerWaalsContact O-N 3.14Å; V171-K174 WeakPolarHBondContact O-CB 3.2Å; V171-K174 PolarHBondContact O-N 3.44Å; V171-Y175 HydrophobicContact CG1-CD2 4.04Å; V171-Y175 HydrophobicContact CG1-CE2 3.93Å; V171-Y175 WeakPolarHBondContact O-CD2 3.48Å; V171-Y175 PolarHBondContact O-N 3.07Å
172L98.2Very high97.9Very high2 Ų254 Ų541%0.0125%0.246CC..Hα-helixtrans-63.8-42.8175.9-64.4174.4000111.4F166 Q168 E169 Y175 G176 V177 P179 V182 I209F166-L172 HydrophobicContact CD2-CD2 4.35Å; F166-L172 HydrophobicContact CE2-CD2 4.03Å; F166-L172 HydrophobicContact CZ-CD2 4.17Å; F166-L172 WeakPolarHBondContact O-CD2 3.06Å; F166-L172 WeakPolarHBondContact O-CG 3.4Å; Q168-L172 WeakPolarHBondContact O-CG 3.29Å; Q168-L172 PolarHBondContact O-N 3.41Å; E169-L172 PolarHBondContact O-N 3.43Å; L172-Y175 CarbonylContact O-C 3.53Å; L172-Y175 PolarHBondContact O-N 3.34Å; L172-G176 PolarHBondContact O-N 3.46Å; L172-V177 HydrophobicContact CB-CB 4.27Å; L172-V177 HydrophobicContact CD2-CB 3.87Å; L172-V177 HydrophobicContact CD2-CG1 3.7Å; L172-V177 PolarHBondContact O-N 3.48Å; L172-P179 HydrophobicContact CD1-CB 3.85Å; L172-V182 HydrophobicContact CD1-CG2 4.39Å; L172-V182 HydrophobicContact CD2-CG2 3.96Å; L172-I209 HydrophobicContact CD1-CG1 4.05Å; L172-I209 HydrophobicContact CD1-CG2 4.17Å
173E96.9Very high97.9Very high156 Ų15654 Ų5473%0.72925%0.246SC*.Hα-helixtrans-59.9-47.5175-176.6177-168.100111.4E169 Y175 G176E169-E173 WeakPolarHBondContact O-CB 3.36Å; E169-E173 PolarHBondContact O-N 2.85Å; E173-Y175 PolarHBondContact O-N 2.67Å; E173-Y175 VanDerWaalsContact O-N 3.16Å; E173-G176 PolarHBondContact O-N 2.69Å
174K96.6Very high97.9Very high152 Ų15254 Ų5466%0.66125%0.246SC*.Hα-helixtrans-53.1-37.8177.5177.3-176.3177.2-175.60112.7D170 V171D170-K174 VanDerWaalsContact O-CB 3.26Å; D170-K174 WeakPolarHBondContact O-CB 3.3Å; D170-K174 PolarHBondContact O-N 2.98Å; V171-K174 WeakPolarHBondContact O-CB 3.2Å; V171-K174 PolarHBondContact O-N 3.44Å
175Y96.1Very high97.9Very high18 Ų1850.2 Ų50.27%0.07123%0.231CC..Hα-helixtrans-970.6179.6-63.9-65.3000113.9F85 I92 I94 V138 V171 L172 E173F85-Y175 HydrophobicContact CE1-CE2 4.14Å; F85-Y175 AromaticContact CZ-CE2 3.66Å; F85-Y175 HydrophobicContact CZ-CE2 3.66Å; I92-Y175 HydrophobicContact CD1-CE1 4.04Å; I92-Y175 HydrophobicContact CD1-CE2 4.18Å; I92-Y175 VanDerWaalsContact CD1-OH 3.23Å; I92-Y175 WeakPolarHBondContact CD1-OH 2.99Å; I92-Y175 HydrophobicContact CG2-CE1 4.35Å; I94-Y175 HydrophobicContact CD1-CD1 3.76Å; I94-Y175 HydrophobicContact CD1-CE1 4.1Å; V138-Y175 HydrophobicContact CG1-CG 4.44Å; V171-Y175 HydrophobicContact CG1-CD2 4.04Å; V171-Y175 HydrophobicContact CG1-CE2 3.93Å; V171-Y175 WeakPolarHBondContact O-CD2 3.48Å; V171-Y175 PolarHBondContact O-N 3.07Å; L172-Y175 CarbonylContact O-C 3.53Å; L172-Y175 PolarHBondContact O-N 3.34Å; E173-Y175 PolarHBondContact O-N 2.67Å; E173-Y175 VanDerWaalsContact O-N 3.16Å
176G96.3Very high97.9Very high19 Ų1945.9 Ų45.920%0.19622%0.215CC..THydrogen-bonded Turntrans65.137.8-178.900000113.3L102 R103 L172 E173L102-G176 WeakPolarHBondContact CA-O 3.36Å; R103-G176 PolarHBondContact N-O 2.94Å; L172-G176 PolarHBondContact O-N 3.46Å; E173-G176 PolarHBondContact O-N 2.69Å
177V98.1Very high98Very high2 Ų246 Ų461%0.01222%0.216CC..EExtended strand (participates in β ladder)trans-94.1135.9179.8176.70000110.6R103 V138 F166 L172 P179 V182R103-V177 WeakPolarHBondContact O-CA 3.38Å; V138-V177 HydrophobicContact CB-CG2 3.69Å; V138-V177 HydrophobicContact CG1-CG2 4.37Å; V138-V177 HydrophobicContact CG2-CG2 3.69Å; F166-V177 HydrophobicContact CZ-CG2 4.47Å; L172-V177 HydrophobicContact CB-CB 4.27Å; L172-V177 HydrophobicContact CD2-CB 3.87Å; L172-V177 HydrophobicContact CD2-CG1 3.7Å; L172-V177 PolarHBondContact O-N 3.48Å; V177-P179 WeakPolarHBondContact O-CD 3.02Å; V177-V182 HydrophobicContact CG1-CG2 3.91Å
178D98Very high97.9Very high14 Ų1446 Ų468%0.07522%0.217CC..EExtended strand (participates in β ladder)trans-74.8118172.1-173.8-24.3000109.1L102 R103 R180 R181L102-D178 HydrophobicContact CB-CB 3.75Å; L102-D178 HydrophobicContact CD1-CB 4.43Å; R103-D178 PolarHBondContact O-N 3.33Å; D178-R180 PolarHBondContact O-N 2.94Å; D178-R180 WeakPolarHBondContact OD1-CB 3.32Å; D178-R180 IonicContact OD1-CZ 3.17Å; D178-R180 PolarHBondContact OD1-N 3.48Å; D178-R180 IonicContact OD1-NE 3.14Å; D178-R180 PolarHBondContact OD1-NE 2.88Å; D178-R180 IonicContact OD1-NH2 3.36Å; D178-R180 IonicContact OD2-CZ 2.82Å; D178-R180 IonicContact OD2-NE 3.89Å; D178-R180 PolarHBondContact OD2-NE 2.88Å; D178-R180 IonicContact OD2-NH2 3.88Å; D178-R180 PolarHBondContact OD2-NH2 3.16Å; D178-R181 HydrophobicContact CB-CB 4.12Å; D178-R181 HydrophobicContact CB-CG 3.98Å; D178-R181 PolarHBondContact O-N 3.22Å
179P97.9Very high98Very high47 Ų4743.1 Ų43.131%0.30520%0.203SC..EExtended strand (participates in β ladder)trans-58.5-21.1179.920.9-31.7000113.6L172 V177 R181 I209L172-P179 HydrophobicContact CD1-CB 3.85Å; V177-P179 WeakPolarHBondContact O-CD 3.02Å; P179-R181 VanDerWaalsContact C-N 3.26Å; P179-R181 PolarHBondContact O-N 2.94Å; P179-I209 HydrophobicContact CB-CD1 3.64Å; P179-I209 HydrophobicContact CB-CG1 4.19Å; P179-I209 HydrophobicContact CB-CG2 4.09Å; P179-I209 WeakPolarHBondContact O-CG2 3.18Å
180R98Very high98Very high184 Ų18436.6 Ų36.669%0.69417%0.172SC*.EExtended strand (participates in β ladder)trans-84.3-0.3178-54.5166.9-61.41766112.8D178 K212D178-R180 PolarHBondContact O-N 2.94Å; D178-R180 WeakPolarHBondContact OD1-CB 3.32Å; D178-R180 IonicContact OD1-CZ 3.17Å; D178-R180 PolarHBondContact OD1-N 3.48Å; D178-R180 IonicContact OD1-NE 3.14Å; D178-R180 PolarHBondContact OD1-NE 2.88Å; D178-R180 IonicContact OD1-NH2 3.36Å; D178-R180 IonicContact OD2-CZ 2.82Å; D178-R180 IonicContact OD2-NE 3.89Å; D178-R180 PolarHBondContact OD2-NE 2.88Å; D178-R180 IonicContact OD2-NH2 3.88Å; D178-R180 PolarHBondContact OD2-NH2 3.16Å; R180-K212 WeakPolarHBondContact O-CD 3.18Å
181R98Very high98.1Very high55 Ų5531.9 Ų31.921%0.20815%0.147CC..EExtended strand (participates in β ladder)trans-134.741.5-171.7-52.3-177.169.4-175.510112.1R104 G105 D178 P179 L398R104-R181 HydrophobicContact CG-CB 4.46Å; G105-R181 PolarHBondContact N-O 3.07Å; D178-R181 HydrophobicContact CB-CB 4.12Å; D178-R181 HydrophobicContact CB-CG 3.98Å; D178-R181 PolarHBondContact O-N 3.22Å; P179-R181 VanDerWaalsContact C-N 3.26Å; P179-R181 PolarHBondContact O-N 2.94Å; R181-L398 VanDerWaalsContact C-CD1 3.49Å; R181-L398 PolarHBondContact NE-O 3.17Å; R181-L398 PolarHBondContact NH2-O 3.05Å; R181-L398 PolarHBondContact NH2-OXT 2.94Å; R181-L398 VanDerWaalsContact O-CD1 3.26Å; R181-L398 WeakPolarHBondContact O-CD1 3.27Å
182V98.8Very high98.1Very high0 Ų031.5 Ų31.50%015%0.145CC..EExtended strand (participates in β ladder)trans-101.5132173.5-169.20000110G105 F166 L167 L172 V177 I209 L211 K212G105-V182 CarbonylContact O-C 3.6Å; G105-V182 VanDerWaalsContact O-CA 3.31Å; G105-V182 WeakPolarHBondContact O-CA 3.22Å; F166-V182 HydrophobicContact CD1-CG1 4.21Å; F166-V182 HydrophobicContact CE1-CG1 3.72Å; L167-V182 HydrophobicContact CD2-CB 4.12Å; L167-V182 HydrophobicContact CD2-CG1 3.72Å; L167-V182 HydrophobicContact CD2-CG2 4.42Å; L172-V182 HydrophobicContact CD1-CG2 4.39Å; L172-V182 HydrophobicContact CD2-CG2 3.96Å; V177-V182 HydrophobicContact CG1-CG2 3.91Å; V182-I209 HydrophobicContact CG2-CG2 4.49Å; V182-L211 HydrophobicContact CB-CD2 4.46Å; V182-L211 HydrophobicContact CG1-CD2 4.02Å; V182-L211 CarbonylContact O-C 3.21Å; V182-L211 WeakPolarHBondContact O-CA 3.46Å; V182-K212 PolarHBondContact O-N 3.48Å
183G98.8Very high98.2Very high0 Ų031.4 Ų31.40%014%0.144CC..EExtended strand (participates in β ladder)trans-126.1162.5174.700000111.9G105 L106 F107 V213G105-G183 PolarHBondContact O-N 2.8Å; L106-G183 WeakPolarHBondContact CA-O 3.4Å; F107-G183 PolarHBondContact N-O 2.65Å; G183-V213 WeakPolarHBondContact CA-O 3.42Å
184V98.9Very high98.3Very high0 Ų024 Ų240%011%0.109CC..EExtended strand (participates in β ladder)trans-118.1144.8169.567.50000109.7F107 I109 L163 A194 T198 L211 V213 Q214 A215F107-V184 HydrophobicContact CB-CG2 4.46Å; F107-V184 HydrophobicContact CD1-CG2 4.34Å; F107-V184 CarbonylContact O-C 3.32Å; F107-V184 WeakPolarHBondContact O-CA 3.23Å; I109-V184 HydrophobicContact CD1-CG2 3.84Å; L163-V184 HydrophobicContact CD2-CG2 4.2Å; V184-A194 HydrophobicContact CG2-CB 4.01Å; V184-T198 WeakPolarHBondContact CG1-OG1 3.35Å; V184-L211 HydrophobicContact CB-CD1 4.13Å; V184-L211 HydrophobicContact CG1-CD1 3.76Å; V184-V213 PolarHBondContact N-O 3.29Å; V184-V213 VanDerWaalsContact N-O 3.12Å; V184-Q214 HydrophobicContact CG1-CB 3.78Å; V184-Q214 CarbonylContact O-C 3.24Å; V184-Q214 VanDerWaalsContact O-CA 3.29Å; V184-Q214 WeakPolarHBondContact O-CA 3.23Å; V184-A215 PolarHBondContact O-N 3.34Å
185S98.9Very high98.4Very high0 Ų016.7 Ų16.70%08%0.078CC..EExtended strand (participates in β ladder)trans-145.8156175.4-173.50000111.1F107 Y108 I109 A215 Y390F107-S185 PolarHBondContact O-N 2.96Å; Y108-S185 CarbonylContact C-O 3.56Å; Y108-S185 WeakPolarHBondContact CA-O 3.39Å; I109-S185 PolarHBondContact N-O 3.3Å; S185-A215 WeakPolarHBondContact CA-O 3.44Å; S185-A215 PolarHBondContact OG-O 3.37Å; S185-A215 VanDerWaalsContact OG-O 3.11Å; S185-Y390 VanDerWaalsContact CB-OH 3.31Å; S185-Y390 WeakPolarHBondContact CB-OH 3.45Å; S185-Y390 WeakPolarHBondContact OG-CE2 3.19Å; S185-Y390 PolarHBondContact OG-OH 3.38Å
186G98.8Very high98.5Very high0 Ų016 Ų160%08%0.076CC..EExtended strand (participates in β ladder)trans-171.6165.6168.500000112.1I109 G191 A215 I217I109-G186 WeakPolarHBondContact O-CA 3.4Å; G186-G191 VanDerWaalsContact C-N 3.28Å; G186-G191 WeakPolarHBondContact O-CA 3.47Å; G186-A215 PolarHBondContact N-O 3.44Å; G186-A215 VanDerWaalsContact N-O 3.09Å; G186-I217 PolarHBondContact O-N 2.85Å
187D98.7Very high98.6Very high4 Ų415.1 Ų15.12%0.0217%0.066CC..EExtended strand (participates in β ladder)trans-119.1144-178.873.3-69.8000112.1Y108 I109 G111 Y124 A189 G190 G191 I217 Y218 S376Y108-D187 PolarHBondContact OH-OD1 3.12Å; I109-D187 PolarHBondContact O-N 3.25Å; G111-D187 WeakPolarHBondContact CA-O 3.34Å; G111-D187 PolarHBondContact N-O 3.21Å; G111-D187 PolarHBondContact N-OD1 2.98Å; G111-D187 VanDerWaalsContact N-OD1 3.15Å; Y124-D187 WeakPolarHBondContact CE1-OD1 3.47Å; Y124-D187 PolarHBondContact OH-OD2 3Å; D187-A189 PolarHBondContact O-N 3Å; D187-G190 WeakPolarHBondContact O-CA 3.17Å; D187-G190 PolarHBondContact O-N 3.3Å; D187-G191 PolarHBondContact O-N 3.49Å; D187-I217 CarbonylContact C-O 3.58Å; D187-I217 VanDerWaalsContact CA-O 3.28Å; D187-I217 WeakPolarHBondContact CA-O 3.39Å; D187-I217 HydrophobicContact CB-CB 3.73Å; D187-I217 HydrophobicContact CB-CD1 4.17Å; D187-I217 HydrophobicContact CB-CG2 4Å; D187-Y218 HydrophobicContact CB-CD2 4.42Å; D187-Y218 HydrophobicContact CB-CE2 3.56Å; D187-Y218 PolarHBondContact OD2-OH 3.31Å; D187-Y218 VanDerWaalsContact OD2-OH 3.06Å; D187-S376 PolarHBondContact OD2-OG 3.33Å
188S98.6Very high98.7Very high8 Ų815.1 Ų15.16%0.0567%0.066CC..THydrogen-bonded Turntrans55.2-121.6-179.9-175.30000111.6G190 G191 N192 I217 Y218 A220 H372S188-G190 PolarHBondContact O-N 3.4Å; S188-G191 WeakPolarHBondContact O-CA 3.24Å; S188-G191 PolarHBondContact O-N 3.06Å; S188-N192 PolarHBondContact O-N 3.49Å; S188-I217 PolarHBondContact N-O 3.46Å; S188-Y218 VanDerWaalsContact N-CD2 3.34Å; S188-A220 PolarHBondContact O-N 3.24Å; S188-H372 VanDerWaalsContact CB-NE2 3.26Å; S188-H372 WeakPolarHBondContact CB-NE2 3.28Å; S188-H372 PolarHBondContact OG-CE1 3.03Å; S188-H372 VanDerWaalsContact OG-CE1 3.25Å; S188-H372 PolarHBondContact OG-NE2 3.2Å
189A98.8Very high98.7Very high0 Ų014.7 Ų14.70%06%0.064CC..Hα-helixtrans-58.3-28.6170.500000113.8W114 D187 N192 L193W114-A189 HydrophobicContact CD2-CB 3.8Å; W114-A189 HydrophobicContact CE3-CB 4.46Å; W114-A189 HydrophobicContact CG-CB 3.95Å; W114-A189 HydrophobicContact CZ2-CB 4.11Å; D187-A189 PolarHBondContact O-N 3Å; A189-N192 VanDerWaalsContact O-CB 3.25Å; A189-N192 WeakPolarHBondContact O-CB 3.33Å; A189-N192 PolarHBondContact O-N 2.96Å; A189-L193 WeakPolarHBondContact O-CG 3.43Å; A189-L193 PolarHBondContact O-N 3.34Å
190G98.9Very high98.7Very high0 Ų014.6 Ų14.60%06%0.06CC..Hα-helixtrans-71.5-33.4170.800000112.4I109 H110 D187 S188 L193 A194I109-G190 WeakPolarHBondContact O-CA 3.49Å; H110-G190 VanDerWaalsContact O-CA 3.23Å; H110-G190 WeakPolarHBondContact O-CA 3.19Å; H110-G190 PolarHBondContact O-N 3.23Å; D187-G190 WeakPolarHBondContact O-CA 3.17Å; D187-G190 PolarHBondContact O-N 3.3Å; S188-G190 PolarHBondContact O-N 3.4Å; G190-L193 PolarHBondContact O-N 2.99Å; G190-A194 VanDerWaalsContact O-CB 3.29Å; G190-A194 WeakPolarHBondContact O-CB 3.15Å; G190-A194 PolarHBondContact O-N 3.43Å
191G98.9Very high98.7Very high0 Ų06.5 Ų6.50%03%0.03CC..Hα-helixtrans-68.2-35.4171.400000112.4G186 D187 S188 A195G186-G191 VanDerWaalsContact C-N 3.28Å; G186-G191 WeakPolarHBondContact O-CA 3.47Å; D187-G191 PolarHBondContact O-N 3.49Å; S188-G191 WeakPolarHBondContact O-CA 3.24Å; S188-G191 PolarHBondContact O-N 3.06Å; G191-A195 PolarHBondContact O-N 2.9Å; G191-A195 VanDerWaalsContact O-N 3.12Å
192N98.9Very high98.7Very high0 Ų06.9 Ų6.90%04%0.036CC..Hα-helixtrans-56.2-56.9167.9176-94.2000111.1W114 S188 A189 A194 A195 A196 A220 A318 P320W114-N192 HydrophobicContact CZ2-CB 3.92Å; W114-N192 PolarHBondContact NE1-OD1 3.25Å; S188-N192 PolarHBondContact O-N 3.49Å; A189-N192 VanDerWaalsContact O-CB 3.25Å; A189-N192 WeakPolarHBondContact O-CB 3.33Å; A189-N192 PolarHBondContact O-N 2.96Å; N192-A194 VanDerWaalsContact C-N 3.33Å; N192-A194 PolarHBondContact O-N 3.43Å; N192-A195 PolarHBondContact O-N 2.98Å; N192-A196 PolarHBondContact O-N 3.22Å; N192-A220 WeakPolarHBondContact CA-O 3.07Å; N192-A220 WeakPolarHBondContact CB-O 3.38Å; N192-A220 PolarHBondContact ND2-O 3.17Å; N192-A318 PolarHBondContact ND2-O 3.44Å; N192-P320 VanDerWaalsContact ND2-CD 3.33Å; N192-P320 WeakPolarHBondContact ND2-CD 3.18Å
193L98.9Very high98.6Very high0 Ų011.9 Ų11.90%06%0.059CC..Hα-helixtrans-62.6-41.6-177-68.9163.4000110.9I109 Y144 Q155 F156 V159 A189 G190 A195 A196 V197I109-L193 HydrophobicContact CD1-CB 4.28Å; I109-L193 HydrophobicContact CG2-CB 4.03Å; I109-L193 HydrophobicContact CG2-CD1 3.95Å; Y144-L193 HydrophobicContact CD1-CD1 4.14Å; Y144-L193 HydrophobicContact CD2-CD1 4.4Å; Y144-L193 HydrophobicContact CE1-CD1 3.76Å; Y144-L193 HydrophobicContact CE2-CD1 4.04Å; Y144-L193 HydrophobicContact CG-CD1 4.45Å; Q155-L193 HydrophobicContact CB-CD1 4.33Å; Q155-L193 HydrophobicContact CB-CD2 4.05Å; F156-L193 HydrophobicContact CB-CD2 4.17Å; V159-L193 HydrophobicContact CG1-CB 4.47Å; V159-L193 HydrophobicContact CG2-CB 4.32Å; V159-L193 HydrophobicContact CG2-CD1 4.06Å; A189-L193 WeakPolarHBondContact O-CG 3.43Å; A189-L193 PolarHBondContact O-N 3.34Å; G190-L193 PolarHBondContact O-N 2.99Å; L193-A195 VanDerWaalsContact C-N 3.33Å; L193-A195 PolarHBondContact O-N 3.32Å; L193-A196 PolarHBondContact O-N 3.1Å; L193-V197 WeakPolarHBondContact O-CG1 3.38Å; L193-V197 VanDerWaalsContact O-CG2 3.27Å; L193-V197 WeakPolarHBondContact O-CG2 3.27Å; L193-V197 PolarHBondContact O-N 3.07Å
194A98.9Very high98.5Very high0 Ų012.6 Ų12.60%06%0.063CC..Hα-helixtrans-55.7-46.2174.800000112I109 V184 G190 N192 T198 L216I109-A194 HydrophobicContact CD1-CB 3.87Å; V184-A194 HydrophobicContact CG2-CB 4.01Å; G190-A194 VanDerWaalsContact O-CB 3.29Å; G190-A194 WeakPolarHBondContact O-CB 3.15Å; G190-A194 PolarHBondContact O-N 3.43Å; N192-A194 VanDerWaalsContact C-N 3.33Å; N192-A194 PolarHBondContact O-N 3.43Å; A194-T198 WeakPolarHBondContact O-CB 3.3Å; A194-T198 PolarHBondContact O-N 3.11Å; A194-T198 VanDerWaalsContact O-N 3.17Å; A194-T198 PolarHBondContact O-OG1 3.48Å; A194-L216 HydrophobicContact CB-CD2 3.68Å
195A98.9Very high98.4Very high0 Ų017.3 Ų17.30%09%0.094CC..Hα-helixtrans-65.3-48.517700000111.5G191 N192 L193 T198 Q199 L216 L221 P320 Y351G191-A195 PolarHBondContact O-N 2.9Å; G191-A195 VanDerWaalsContact O-N 3.12Å; N192-A195 PolarHBondContact O-N 2.98Å; L193-A195 VanDerWaalsContact C-N 3.33Å; L193-A195 PolarHBondContact O-N 3.32Å; A195-T198 PolarHBondContact O-N 3.05Å; A195-Q199 WeakPolarHBondContact O-CG 3.19Å; A195-Q199 PolarHBondContact O-N 2.68Å; A195-Q199 VanDerWaalsContact O-N 3.08Å; A195-L216 HydrophobicContact CB-CD1 3.95Å; A195-L216 HydrophobicContact CB-CD2 4.22Å; A195-L221 HydrophobicContact CB-CD2 4Å; A195-P320 HydrophobicContact CB-CB 3.92Å; A195-P320 HydrophobicContact CB-CG 3.93Å; A195-Y351 HydrophobicContact CB-CE1 4.45Å
196A98.9Very high98.3Very high3 Ų322.2 Ų22.23%0.02512%0.12CC..Hα-helixtrans-62.3-47.7-177.300000112.5F156 N192 L193 T198 Q199 Q200 K317 P320F156-A196 HydrophobicContact CD2-CB 3.83Å; F156-A196 HydrophobicContact CE2-CB 3.85Å; N192-A196 PolarHBondContact O-N 3.22Å; L193-A196 PolarHBondContact O-N 3.1Å; A196-T198 VanDerWaalsContact C-N 3.32Å; A196-T198 PolarHBondContact O-N 2.92Å; A196-Q199 WeakPolarHBondContact O-CB 3.29Å; A196-Q199 PolarHBondContact O-N 3.46Å; A196-Q200 PolarHBondContact O-N 2.86Å; A196-K317 VanDerWaalsContact CB-O 3.26Å; A196-K317 WeakPolarHBondContact CB-O 3.42Å; A196-P320 HydrophobicContact CB-CB 4.31Å; A196-P320 HydrophobicContact CB-CG 4.45Å
197V98.8Very high98.2Very high0 Ų023.6 Ų23.60%013%0.128CC..Hα-helixtrans-69.3-32.1179.3-57.20000111.9F156 V159 L163 L193 Q199 Q200 L201F156-V197 HydrophobicContact CD2-CG1 4.03Å; F156-V197 HydrophobicContact CE2-CG1 4.01Å; V159-V197 HydrophobicContact CB-CG1 4.07Å; V159-V197 HydrophobicContact CG1-CB 4.41Å; V159-V197 HydrophobicContact CG1-CG1 3.67Å; V159-V197 HydrophobicContact CG1-CG2 4.03Å; L163-V197 HydrophobicContact CD2-CB 4.41Å; L163-V197 HydrophobicContact CD2-CG2 3.57Å; L193-V197 WeakPolarHBondContact O-CG1 3.38Å; L193-V197 VanDerWaalsContact O-CG2 3.27Å; L193-V197 WeakPolarHBondContact O-CG2 3.27Å; L193-V197 PolarHBondContact O-N 3.07Å; V197-Q199 VanDerWaalsContact C-N 3.34Å; V197-Q199 PolarHBondContact O-N 3.26Å; V197-Q200 PolarHBondContact O-N 3.47Å; V197-L201 WeakPolarHBondContact O-CB 3.31Å; V197-L201 VanDerWaalsContact O-CG 3.24Å; V197-L201 WeakPolarHBondContact O-CG 3.47Å; V197-L201 PolarHBondContact O-N 3.44Å
198T98.8Very high98.1Very high2 Ų230.7 Ų30.71%0.01216%0.159CC..Hα-helixtrans-61.9-43.8173.7-580000111.1V184 A194 A195 A196 Q200 L201 I202 L211 L331 P332V184-T198 WeakPolarHBondContact CG1-OG1 3.35Å; A194-T198 WeakPolarHBondContact O-CB 3.3Å; A194-T198 PolarHBondContact O-N 3.11Å; A194-T198 VanDerWaalsContact O-N 3.17Å; A194-T198 PolarHBondContact O-OG1 3.48Å; A195-T198 PolarHBondContact O-N 3.05Å; A196-T198 VanDerWaalsContact C-N 3.32Å; A196-T198 PolarHBondContact O-N 2.92Å; T198-Q200 VanDerWaalsContact C-N 3.31Å; T198-Q200 PolarHBondContact O-N 2.8Å; T198-L201 PolarHBondContact O-N 3.36Å; T198-I202 HydrophobicContact CG2-CD1 4.41Å; T198-I202 WeakPolarHBondContact O-CD1 3.43Å; T198-I202 WeakPolarHBondContact O-CG1 3.2Å; T198-I202 PolarHBondContact O-N 3.37Å; T198-L211 HydrophobicContact CG2-CD1 4.2Å; T198-L331 HydrophobicContact CG2-CD2 3.62Å; T198-P332 VanDerWaalsContact CG2-CD 3.41Å; T198-P332 HydrophobicContact CG2-CG 3.72Å
199Q98.6Very high98.1Very high5 Ų531.2 Ų31.22%0.02316%0.161CC..Hα-helixtrans-62.8-37.1175-68.21738.800112.2A195 A196 V197 Q203 P320 A323 I327 L331 Y351A195-Q199 WeakPolarHBondContact O-CG 3.19Å; A195-Q199 PolarHBondContact O-N 2.68Å; A195-Q199 VanDerWaalsContact O-N 3.08Å; A196-Q199 WeakPolarHBondContact O-CB 3.29Å; A196-Q199 PolarHBondContact O-N 3.46Å; V197-Q199 VanDerWaalsContact C-N 3.34Å; V197-Q199 PolarHBondContact O-N 3.26Å; Q199-Q203 PolarHBondContact O-NE2 3.02Å; Q199-P320 PolarHBondContact NE2-O 3.32Å; Q199-A323 VanDerWaalsContact OE1-CB 3.3Å; Q199-I327 HydrophobicContact CB-CG2 3.89Å; Q199-I327 HydrophobicContact CG-CG2 4.06Å; Q199-L331 HydrophobicContact CG-CD2 3.9Å; Q199-Y351 PolarHBondContact NE2-OH 2.84Å
200Q98.4Very high98Very high45 Ų4539.9 Ų39.921%0.2120%0.198CC..Hα-helixtrans-69.8-44.1176.5-177.662.266.800112.5F156 Y160 A196 V197 T198 I202 Q203 D204F156-Q200 HydrophobicContact CE2-CB 4.31Å; F156-Q200 HydrophobicContact CZ-CB 3.77Å; F156-Q200 HydrophobicContact CZ-CG 3.85Å; Y160-Q200 HydrophobicContact CD2-CB 4.28Å; Y160-Q200 HydrophobicContact CD2-CG 3.75Å; Y160-Q200 HydrophobicContact CE2-CB 4.33Å; Y160-Q200 HydrophobicContact CE2-CG 3.52Å; Y160-Q200 HydrophobicContact CG-CG 4.4Å; A196-Q200 PolarHBondContact O-N 2.86Å; V197-Q200 PolarHBondContact O-N 3.47Å; T198-Q200 VanDerWaalsContact C-N 3.31Å; T198-Q200 PolarHBondContact O-N 2.8Å; Q200-I202 VanDerWaalsContact C-N 3.28Å; Q200-I202 PolarHBondContact O-N 3.03Å; Q200-Q203 PolarHBondContact O-N 3.31Å; Q200-D204 PolarHBondContact O-N 3.1Å; Q200-D204 VanDerWaalsContact O-N 3.17Å
201L98.3Very high98Very high14 Ų1440.9 Ų40.97%0.07320%0.203CC..Hα-helixtrans-61.6-35.1-179.4-72172.1000112.5Y160 L163 L167 V197 T198 Q203 D204 V207 L211Y160-L201 HydrophobicContact CD2-CD2 4.05Å; Y160-L201 HydrophobicContact CD2-CG 4.43Å; Y160-L201 HydrophobicContact CE2-CD2 3.75Å; Y160-L201 HydrophobicContact CE2-CG 4.36Å; L163-L201 HydrophobicContact CD2-CD1 3.52Å; L163-L201 HydrophobicContact CG-CD1 3.92Å; L167-L201 HydrophobicContact CD1-CD1 3.84Å; L167-L201 HydrophobicContact CD1-CD2 4.22Å; V197-L201 WeakPolarHBondContact O-CB 3.31Å; V197-L201 VanDerWaalsContact O-CG 3.24Å; V197-L201 WeakPolarHBondContact O-CG 3.47Å; V197-L201 PolarHBondContact O-N 3.44Å; T198-L201 PolarHBondContact O-N 3.36Å; L201-Q203 PolarHBondContact O-N 3.5Å; L201-D204 PolarHBondContact O-N 2.92Å; L201-D204 VanDerWaalsContact O-N 3.17Å; L201-V207 HydrophobicContact CD2-CB 4.36Å; L201-V207 HydrophobicContact CD2-CG1 4.11Å; L201-V207 HydrophobicContact CD2-CG2 3.67Å; L201-L211 HydrophobicContact CD1-CD1 3.74Å; L201-L211 HydrophobicContact CD1-CG 4.35Å
202I96.8Very high98Very high64 Ų6445 Ų4533%0.32822%0.221SC..Hα-helixtrans-62.5-30.3176.5-73.7162.6000112T198 Q200 H330 L331T198-I202 HydrophobicContact CG2-CD1 4.41Å; T198-I202 WeakPolarHBondContact O-CD1 3.43Å; T198-I202 WeakPolarHBondContact O-CG1 3.2Å; T198-I202 PolarHBondContact O-N 3.37Å; Q200-I202 VanDerWaalsContact C-N 3.28Å; Q200-I202 PolarHBondContact O-N 3.03Å; I202-H330 HydrophobicContact CD1-CB 4.25Å; I202-H330 VanDerWaalsContact CD1-O 3.31Å; I202-H330 WeakPolarHBondContact CD1-O 3.35Å; I202-H330 HydrophobicContact CG2-CB 3.6Å; I202-L331 HydrophobicContact CD1-CD2 3.58Å; I202-L331 HydrophobicContact CD1-CG 4.19Å
203Q96.7Very high98Very high104 Ų10445 Ų4549%0.48622%0.221SC..Hα-helixtrans-91.6-8-179.7-63.9174.289.900112.4Q199 Q200 L201 P205 I327Q199-Q203 PolarHBondContact O-NE2 3.02Å; Q200-Q203 PolarHBondContact O-N 3.31Å; L201-Q203 PolarHBondContact O-N 3.5Å; Q203-P205 VanDerWaalsContact O-CD 3.29Å; Q203-P205 WeakPolarHBondContact O-CD 3.35Å; Q203-I327 HydrophobicContact CG-CG1 4.44Å
204D97.6Very high98Very high15 Ų1545 Ų458%0.0822%0.221CC..  trans-89.2107.6-178.4-177-5.6000110.6Y160 R164 Q200 L201 D206 V207Y160-D204 VanDerWaalsContact OH-CG 3.28Å; Y160-D204 PolarHBondContact OH-OD2 3.23Å; R164-D204 IonicContact NE-OD2 3.05Å; R164-D204 PolarHBondContact NE-OD2 2.85Å; Q200-D204 PolarHBondContact O-N 3.1Å; Q200-D204 VanDerWaalsContact O-N 3.17Å; L201-D204 PolarHBondContact O-N 2.92Å; L201-D204 VanDerWaalsContact O-N 3.17Å; D204-D206 PolarHBondContact O-N 3.12Å; D204-D206 WeakPolarHBondContact OD1-CB 3.28Å; D204-D206 PolarHBondContact OD1-N 3.27Å; D204-V207 HydrophobicContact CB-CB 4.45Å; D204-V207 HydrophobicContact CB-CG2 4.11Å; D204-V207 PolarHBondContact O-N 3.03Å; D204-V207 VanDerWaalsContact OD2-CG2 3.25Å; D204-V207 WeakPolarHBondContact OD2-CG2 3.36Å
205P96.6Very high98Very high100 Ų10045 Ų4565%0.64922%0.221SC*.THydrogen-bonded Turntrans-68.3-16.4-179.430.5-36.4000113.5Q203 K208Q203-P205 VanDerWaalsContact O-CD 3.29Å; Q203-P205 WeakPolarHBondContact O-CD 3.35Å; P205-K208 PolarHBondContact O-NZ 3.41Å
206D96.7Very high97.9Very high103 Ų10345 Ų4555%0.55122%0.221SC*.THydrogen-bonded Turntrans-79.6-21.2179.7-65.7-21.6000112.2R164 D204 K208R164-D206 IonicContact NH2-OD2 3.61Å; R164-D206 PolarHBondContact NH2-OD2 3.08Å; D204-D206 PolarHBondContact O-N 3.12Å; D204-D206 WeakPolarHBondContact OD1-CB 3.28Å; D204-D206 PolarHBondContact OD1-N 3.27Å; D206-K208 PolarHBondContact O-N 3.28Å
207V97.3Very high97.9Very high28 Ų2844.8 Ų44.817%0.1722%0.22CC..  trans-85105.4-179.7175.70000109.9R164 L167 L201 D204 I209R164-V207 HydrophobicContact CG-CG2 3.93Å; L167-V207 HydrophobicContact CD1-CG1 4.04Å; L201-V207 HydrophobicContact CD2-CB 4.36Å; L201-V207 HydrophobicContact CD2-CG1 4.11Å; L201-V207 HydrophobicContact CD2-CG2 3.67Å; D204-V207 HydrophobicContact CB-CB 4.45Å; D204-V207 HydrophobicContact CB-CG2 4.11Å; D204-V207 PolarHBondContact O-N 3.03Å; D204-V207 VanDerWaalsContact OD2-CG2 3.25Å; D204-V207 WeakPolarHBondContact OD2-CG2 3.36Å; V207-I209 WeakPolarHBondContact CG1-O 3.42Å
208K96.6Very high97.9Very high153 Ų15344.9 Ų44.967%0.66522%0.22SC*.  trans-84.1-32.3-179-53.2-51.1179.5-168.20113.1P205 D206P205-K208 PolarHBondContact O-NZ 3.41Å; D206-K208 PolarHBondContact O-N 3.28Å
209I97.3Very high97.9Very high19 Ų1944.8 Ų44.810%0.09722%0.22CC..SBendtrans-85.4119.1-179-56-47.9000110.1L167 E169 L172 P179 V182 V207L167-I209 HydrophobicContact CB-CB 4.38Å; L167-I209 HydrophobicContact CD2-CB 4.27Å; L167-I209 HydrophobicContact CD2-CG2 3.93Å; L167-I209 VanDerWaalsContact O-CG1 3.22Å; L167-I209 WeakPolarHBondContact O-CG1 3.28Å; E169-I209 HydrophobicContact CG-CD1 4.31Å; L172-I209 HydrophobicContact CD1-CG1 4.05Å; L172-I209 HydrophobicContact CD1-CG2 4.17Å; P179-I209 HydrophobicContact CB-CD1 3.64Å; P179-I209 HydrophobicContact CB-CG1 4.19Å; P179-I209 HydrophobicContact CB-CG2 4.09Å; P179-I209 WeakPolarHBondContact O-CG2 3.18Å; V182-I209 HydrophobicContact CG2-CG2 4.49Å; V207-I209 WeakPolarHBondContact CG1-O 3.42Å
210K97Very high97.9Very high182 Ų18244.5 Ų44.579%0.79122%0.219SC*.PPolyproline II helixtrans-87.2136.9177.6-63.3-175.3179.2-175.90110.7K212K210-K212 PolarHBondContact O-N 3.33Å
211L98.7Very high98Very high21 Ų2142.4 Ų42.411%0.1121%0.209CC..PPolyproline II helixtrans-63.1133.7168.4-64.3171.3000109.8L163 L167 V182 V184 T198 L201 P332L163-L211 HydrophobicContact CD1-CD2 4.44Å; L163-L211 HydrophobicContact CD2-CD1 4.42Å; L167-L211 HydrophobicContact CD1-CD2 4.45Å; L167-L211 HydrophobicContact CD2-CD2 4.08Å; V182-L211 HydrophobicContact CB-CD2 4.46Å; V182-L211 HydrophobicContact CG1-CD2 4.02Å; V182-L211 CarbonylContact O-C 3.21Å; V182-L211 WeakPolarHBondContact O-CA 3.46Å; V184-L211 HydrophobicContact CB-CD1 4.13Å; V184-L211 HydrophobicContact CG1-CD1 3.76Å; T198-L211 HydrophobicContact CG2-CD1 4.2Å; L201-L211 HydrophobicContact CD1-CD1 3.74Å; L201-L211 HydrophobicContact CD1-CG 4.35Å; L211-P332 HydrophobicContact CB-CG 4.41Å; L211-P332 WeakPolarHBondContact O-CB 3.43Å
212K98.6Very high97.9Very high86 Ų8641.9 Ų41.937%0.37421%0.206SC..SBendtrans-79.7-37176.9-169.7-177.8-171.9174.70111.9R180 V182 K210 N397 L398R180-K212 WeakPolarHBondContact O-CD 3.18Å; V182-K212 PolarHBondContact O-N 3.48Å; K210-K212 PolarHBondContact O-N 3.33Å; K212-N397 WeakPolarHBondContact CD-O 3.29Å; K212-N397 WeakPolarHBondContact CE-O 3.32Å; K212-L398 HydrophobicContact CB-CD1 4.3Å; K212-L398 HydrophobicContact CD-CD1 4.3Å; K212-L398 PolarHBondContact NZ-O 2.94Å
213V98.8Very high98Very high0 Ų038.9 Ų38.90%019%0.191CC..EExtended strand (participates in β ladder)trans-141.9153.3-178.1-56.30000111.5G183 V184 K333 W393 L394 N397 L398G183-V213 WeakPolarHBondContact CA-O 3.42Å; V184-V213 PolarHBondContact N-O 3.29Å; V184-V213 VanDerWaalsContact N-O 3.12Å; V213-K333 CarbonylContact C-O 3.58Å; V213-K333 WeakPolarHBondContact CA-O 3.22Å; V213-K333 HydrophobicContact CG1-CB 4.33Å; V213-W393 HydrophobicContact CB-CH2 3.79Å; V213-W393 HydrophobicContact CB-CZ3 3.82Å; V213-W393 HydrophobicContact CG1-CH2 3.75Å; V213-W393 HydrophobicContact CG1-CZ3 3.92Å; V213-W393 HydrophobicContact CG2-CZ3 4.17Å; V213-L394 HydrophobicContact CG2-CD2 4.08Å; V213-N397 HydrophobicContact CG1-CB 4Å; V213-L398 HydrophobicContact CG2-CD1 4.02Å
214Q98.8Very high98Very high0 Ų034 Ų340%017%0.168CC..EExtended strand (participates in β ladder)trans-123.2136.2159.671.6-175.9-65.200109.4V184 L216 P332 K333 T334 Y335V184-Q214 HydrophobicContact CG1-CB 3.78Å; V184-Q214 CarbonylContact O-C 3.24Å; V184-Q214 VanDerWaalsContact O-CA 3.29Å; V184-Q214 WeakPolarHBondContact O-CA 3.23Å; Q214-L216 HydrophobicContact CB-CD2 4.44Å; Q214-L216 HydrophobicContact CG-CD2 4.45Å; Q214-L216 HydrophobicContact CG-CG 4.48Å; Q214-P332 HydrophobicContact CB-CG 4.09Å; Q214-P332 HydrophobicContact CG-CG 4.15Å; Q214-K333 PolarHBondContact N-O 3.41Å; Q214-T334 HydrophobicContact CG-CG2 3.83Å; Q214-T334 VanDerWaalsContact CG-OG1 3.28Å; Q214-T334 WeakPolarHBondContact CG-OG1 3.31Å; Q214-T334 PolarHBondContact NE2-OG1 3.36Å; Q214-T334 CarbonylContact O-C 3.5Å; Q214-T334 WeakPolarHBondContact O-CA 3.28Å; Q214-Y335 PolarHBondContact O-N 2.73Å
215A98.8Very high98Very high0 Ų033.4 Ų33.40%017%0.165CC..EExtended strand (participates in β ladder)trans-122.2117.2176.100000110.8V184 S185 G186 Y335 Y390V184-A215 PolarHBondContact O-N 3.34Å; S185-A215 WeakPolarHBondContact CA-O 3.44Å; S185-A215 PolarHBondContact OG-O 3.37Å; S185-A215 VanDerWaalsContact OG-O 3.11Å; G186-A215 PolarHBondContact N-O 3.44Å; G186-A215 VanDerWaalsContact N-O 3.09Å; A215-Y335 CarbonylContact C-O 3.57Å; A215-Y335 WeakPolarHBondContact CA-O 3.5Å; A215-Y335 HydrophobicContact CB-CD1 4.23Å; A215-Y390 HydrophobicContact CB-CD2 4.31Å; A215-Y390 HydrophobicContact CB-CE2 3.7Å
216L98.9Very high97.9Very high0 Ų028.9 Ų28.90%014%0.135CC..EExtended strand (participates in β ladder)trans-116.4112.5-171.3-43.8178.9000108.9A194 A195 Q214 P219 T334 Y335 I336 I337 Y351A194-L216 HydrophobicContact CB-CD2 3.68Å; A195-L216 HydrophobicContact CB-CD1 3.95Å; A195-L216 HydrophobicContact CB-CD2 4.22Å; Q214-L216 HydrophobicContact CB-CD2 4.44Å; Q214-L216 HydrophobicContact CG-CD2 4.45Å; Q214-L216 HydrophobicContact CG-CG 4.48Å; L216-P219 HydrophobicContact CB-CB 4.16Å; L216-P219 HydrophobicContact CB-CG 3.9Å; L216-T334 HydrophobicContact CD1-CG2 4.44Å; L216-Y335 PolarHBondContact N-O 3.29Å; L216-I336 HydrophobicContact CB-CG1 4.21Å; L216-I336 HydrophobicContact CD1-CG1 4.19Å; L216-I336 HydrophobicContact CG-CG1 4.45Å; L216-I336 WeakPolarHBondContact O-CA 3.49Å; L216-I337 PolarHBondContact O-N 3.05Å; L216-Y351 HydrophobicContact CD1-CD1 4.04Å; L216-Y351 HydrophobicContact CD1-CE1 3.63Å
217I98.8Very high97.8Very high0 Ų026.8 Ų26.80%012%0.124CC..EExtended strand (participates in β ladder)trans-102.1115.7-174.9-56.9151.5000107.8Y108 G186 D187 S188 P219 I337 F375 Y390Y108-I217 HydrophobicContact CE2-CD1 4.47Å; G186-I217 PolarHBondContact O-N 2.85Å; D187-I217 CarbonylContact C-O 3.58Å; D187-I217 VanDerWaalsContact CA-O 3.28Å; D187-I217 WeakPolarHBondContact CA-O 3.39Å; D187-I217 HydrophobicContact CB-CB 3.73Å; D187-I217 HydrophobicContact CB-CD1 4.17Å; D187-I217 HydrophobicContact CB-CG2 4Å; S188-I217 PolarHBondContact N-O 3.46Å; I217-P219 VanDerWaalsContact C-N 3.3Å; I217-P219 VanDerWaalsContact O-N 3.15Å; I217-I337 HydrophobicContact CG1-CD1 4.25Å; I217-I337 HydrophobicContact CG2-CB 4.42Å; I217-I337 HydrophobicContact CG2-CD1 4.45Å; I217-F375 HydrophobicContact CD1-CD1 3.9Å; I217-F375 HydrophobicContact CD1-CD2 4.49Å; I217-F375 HydrophobicContact CD1-CE1 3.47Å; I217-F375 VanDerWaalsContact CD1-CE1 3.47Å; I217-F375 HydrophobicContact CD1-CE2 4.13Å; I217-F375 HydrophobicContact CD1-CG 4.39Å; I217-F375 HydrophobicContact CD1-CZ 3.61Å; I217-F375 HydrophobicContact CG2-CB 3.89Å; I217-F375 HydrophobicContact CG2-CD1 4.29Å; I217-F375 HydrophobicContact CG2-CD2 4.15Å; I217-F375 HydrophobicContact CG2-CG 3.9Å; I217-Y390 HydrophobicContact CD1-CD2 4.34Å; I217-Y390 HydrophobicContact CD1-CE2 4.23Å
218Y98.6Very high97.7Very high1 Ų125.4 Ų25.40%0.00412%0.116CC..SBendtrans37.751.5-175.944.1-119.1000114.5D187 S188 I337 D342 H372 G373 F375 M386D187-Y218 HydrophobicContact CB-CD2 4.42Å; D187-Y218 HydrophobicContact CB-CE2 3.56Å; D187-Y218 PolarHBondContact OD2-OH 3.31Å; D187-Y218 VanDerWaalsContact OD2-OH 3.06Å; S188-Y218 VanDerWaalsContact N-CD2 3.34Å; Y218-I337 VanDerWaalsContact CA-O 3.28Å; Y218-I337 WeakPolarHBondContact CA-O 3.3Å; Y218-I337 PolarHBondContact N-O 2.93Å; Y218-D342 WeakPolarHBondContact CB-OD2 3.03Å; Y218-H372 AromaticContact CD2-CE1 3.5Å; Y218-H372 VanDerWaalsContact CD2-CE1 3.5Å; Y218-H372 WeakPolarHBondContact CD2-CE1 2.86Å; Y218-H372 AromaticContact CD2-ND1 3.92Å; Y218-G373 WeakPolarHBondContact OH-CA 3.27Å; Y218-F375 HydrophobicContact CE1-CB 3.56Å; Y218-F375 VanDerWaalsContact OH-CB 3.3Å; Y218-F375 WeakPolarHBondContact OH-CB 3.35Å; Y218-M386 HydrophobicContact CD1-CE 4.39Å; Y218-M386 HydrophobicContact CE1-CE 4.3Å
219P98.8Very high97.6Very high0 Ų018.1 Ų18.10%08%0.084CC..  trans-70.9142.7-166.132.5-38.8000112.7L216 I217 L221L216-P219 HydrophobicContact CB-CB 4.16Å; L216-P219 HydrophobicContact CB-CG 3.9Å; I217-P219 VanDerWaalsContact C-N 3.3Å; I217-P219 VanDerWaalsContact O-N 3.15Å; P219-L221 HydrophobicContact CB-CD1 4.26Å; P219-L221 HydrophobicContact CB-CD2 3.78Å; P219-L221 HydrophobicContact CB-CG 3.86Å; P219-L221 HydrophobicContact CG-CD1 3.71Å; P219-L221 HydrophobicContact CG-CD2 4.11Å; P219-L221 HydrophobicContact CG-CG 3.87Å
220A98.7Very high97.5Very high0 Ų017.2 Ų17.20%08%0.079CC..  trans-79.5123.8164.100000108.5W114 S188 N192 M245 W249 L344W114-A220 HydrophobicContact CH2-CB 3.76Å; W114-A220 HydrophobicContact CZ2-CB 3.97Å; S188-A220 PolarHBondContact O-N 3.24Å; N192-A220 WeakPolarHBondContact CA-O 3.07Å; N192-A220 WeakPolarHBondContact CB-O 3.38Å; N192-A220 PolarHBondContact ND2-O 3.17Å; A220-M245 HydrophobicContact CB-CE 4.4Å; A220-W249 HydrophobicContact CB-CZ2 3.93Å; A220-L344 HydrophobicContact CB-CD1 3.67Å; A220-L344 HydrophobicContact CB-CD2 4.01Å; A220-L344 HydrophobicContact CB-CG 4.49Å
221L98.8Very high97.4Very high0 Ų09 Ų90%04%0.044CC..  trans-129.1-12.3-170.2-60.3172.3000114A195 P219 C319 P320 L321 D347 Y351A195-L221 HydrophobicContact CB-CD2 4Å; P219-L221 HydrophobicContact CB-CD1 4.26Å; P219-L221 HydrophobicContact CB-CD2 3.78Å; P219-L221 HydrophobicContact CB-CG 3.86Å; P219-L221 HydrophobicContact CG-CD1 3.71Å; P219-L221 HydrophobicContact CG-CD2 4.11Å; P219-L221 HydrophobicContact CG-CG 3.87Å; L221-C319 CarbonylContact O-C 3.53Å; L221-C319 VanDerWaalsContact O-C 3.24Å; L221-C319 VanDerWaalsContact O-CA 3.27Å; L221-C319 WeakPolarHBondContact O-CA 3.34Å; L221-P320 HydrophobicContact CB-CG 4.43Å; L221-P320 HydrophobicContact CD2-CG 3.56Å; L221-P320 WeakPolarHBondContact O-CD 3.26Å; L221-L321 HydrophobicContact CB-CB 3.87Å; L221-L321 VanDerWaalsContact O-CB 3.23Å; L221-L321 WeakPolarHBondContact O-CB 3.21Å; L221-L321 PolarHBondContact O-N 3.3Å; L221-D347 HydrophobicContact CB-CB 4.2Å; L221-D347 PolarHBondContact N-OD2 2.78Å; L221-Y351 HydrophobicContact CD1-CD1 3.67Å; L221-Y351 HydrophobicContact CD1-CD2 4.2Å; L221-Y351 HydrophobicContact CD1-CE1 4.5Å; L221-Y351 HydrophobicContact CD1-CG 3.5Å; L221-Y351 VanDerWaalsContact CD1-CG 3.5Å
222Q98.2Very high97.1Very high4 Ų412.5 Ų12.52%0.0196%0.059CC..  trans-148.6147175.365.886.432.400112.7D225 W249 V280 L321 D347Q222-D225 PolarHBondContact NE2-O 3.14Å; Q222-W249 VanDerWaalsContact O-CZ2 3.25Å; Q222-W249 WeakPolarHBondContact O-CZ2 3.37Å; Q222-V280 HydrophobicContact CB-CG1 3.77Å; Q222-V280 HydrophobicContact CG-CG1 3.72Å; Q222-L321 HydrophobicContact CB-CB 4.14Å; Q222-L321 HydrophobicContact CB-CD2 4.02Å; Q222-L321 HydrophobicContact CG-CD2 3.82Å; Q222-D347 PolarHBondContact N-OD2 2.85Å; Q222-D347 VanDerWaalsContact N-OD2 3.1Å; Q222-D347 PolarHBondContact NE2-OD1 3.5Å
223A97.7Very high96.6Very high1 Ų110.9 Ų10.91%0.0085%0.053CC..SBendtrans-114.95.6173.900000112.7W249 F253 H268 F313 C319A223-W249 HydrophobicContact CB-CD2 3.64Å; A223-W249 HydrophobicContact CB-CE3 3.72Å; A223-W249 HydrophobicContact CB-CG 4.16Å; A223-W249 HydrophobicContact CB-CH2 4.17Å; A223-W249 HydrophobicContact CB-CZ2 4.09Å; A223-W249 HydrophobicContact CB-CZ3 3.99Å; A223-F253 HydrophobicContact CB-CE2 4.31Å; A223-H268 PolarHBondContact O-NE2 3.32Å; A223-F313 HydrophobicContact CB-CB 4.02Å; A223-C319 PolarHBondContact N-SG 2.73Å; A223-C319 VanDerWaalsContact N-SG 3.38Å
224L97.1Very high95.7Very high0 Ų010.9 Ų10.90%05%0.053CC..SBendtrans-75.9-47.7-173.3-63.3-172000112.9H268 V269 L276 L277 V280 F313 I314 L322L224-H268 PolarHBondContact O-CE1 3.13Å; L224-H268 VanDerWaalsContact O-CE1 3.26Å; L224-H268 PolarHBondContact O-NE2 3.03Å; L224-V269 HydrophobicContact CB-CG2 4.11Å; L224-V269 HydrophobicContact CD2-CG2 3.8Å; L224-V269 WeakPolarHBondContact O-CG2 3.27Å; L224-L276 HydrophobicContact CD1-CB 3.62Å; L224-L277 HydrophobicContact CB-CD2 4.18Å; L224-V280 HydrophobicContact CB-CG1 4.49Å; L224-V280 HydrophobicContact CB-CG2 4.25Å; L224-V280 HydrophobicContact CD1-CG1 4.44Å; L224-V280 HydrophobicContact CD1-CG2 4.48Å; L224-F313 VanDerWaalsContact CD2-O 3.22Å; L224-F313 WeakPolarHBondContact CD2-O 3.41Å; L224-I314 HydrophobicContact CD2-CG2 3.82Å; L224-L322 HydrophobicContact CD1-CD1 3.89Å; L224-L322 HydrophobicContact CD1-CD2 3.43Å; L224-L322 VanDerWaalsContact CD1-CD2 3.43Å; L224-L322 HydrophobicContact CD1-CG 4.3Å; L224-L322 HydrophobicContact CD2-CD1 4.36Å; L224-L322 HydrophobicContact CG-CD1 4.14Å; L224-L322 HydrophobicContact CG-CD2 4.14Å
225D96.5Very high94.4Very high3 Ų315 Ų152%0.0168%0.082CC..  trans-11399.2177.5-174.45.7000109.4Q222 N227 V228 N266 V280 Y296 P299Q222-D225 PolarHBondContact NE2-O 3.14Å; D225-N227 PolarHBondContact O-N 3.17Å; D225-N227 WeakPolarHBondContact OD1-CA 3.3Å; D225-N227 WeakPolarHBondContact OD1-CB 3.43Å; D225-N227 PolarHBondContact OD1-N 3.12Å; D225-V228 HydrophobicContact CB-CG1 3.96Å; D225-N266 PolarHBondContact OD1-ND2 3.25Å; D225-N266 PolarHBondContact OD1-OD1 3.42Å; D225-V280 HydrophobicContact CB-CG2 4.24Å; D225-Y296 WeakPolarHBondContact OD2-CE2 3.27Å; D225-P299 HydrophobicContact CB-CG 4.27Å
226T95Very high93.2Very high6 Ų620.7 Ų20.74%0.03711%0.109CC..THydrogen-bonded Turntrans-8513.9176.564.10000111.9R242 V246 M263 N266T226-R242 PolarHBondContact O-NE 3.43Å; T226-R242 PolarHBondContact O-NH2 3.33Å; T226-R242 PolarHBondContact OG1-NH2 3.31Å; T226-V246 HydrophobicContact CG2-CG2 4.22Å; T226-M263 HydrophobicContact CG2-CB 4.3Å; T226-M263 PolarHBondContact OG1-O 3.04Å; T226-N266 PolarHBondContact N-OD1 2.96Å; T226-N266 PolarHBondContact OG1-OD1 3.35Å
227N94.3Very high92.7Very high58 Ų5821.7 Ų21.731%0.3111%0.113SC..THydrogen-bonded Turntrans-132.826.6-176.7-157.344.4000112.4D225 Q232 N266D225-N227 PolarHBondContact O-N 3.17Å; D225-N227 WeakPolarHBondContact OD1-CA 3.3Å; D225-N227 WeakPolarHBondContact OD1-CB 3.43Å; D225-N227 PolarHBondContact OD1-N 3.12Å; N227-Q232 PolarHBondContact O-NE2 3.45Å; N227-Q232 VanDerWaalsContact OD1-CG 3.26Å; N227-Q232 WeakPolarHBondContact OD1-CG 2.98Å; N227-N266 HydrophobicContact CB-CB 4.1Å; N227-N266 VanDerWaalsContact CB-ND2 3.28Å; N227-N266 WeakPolarHBondContact CB-ND2 3.32Å
228V95.1Very high92.4Very high0 Ų021.8 Ų21.80%011%0.114CC..SBendtrans-57.7160.6169.1-60.70000111.4D225 S230 Q231 Q232 D346 M350D225-V228 HydrophobicContact CB-CG1 3.96Å; V228-S230 VanDerWaalsContact C-N 3.32Å; V228-S230 PolarHBondContact O-N 3.41Å; V228-Q231 HydrophobicContact CG2-CB 4.16Å; V228-Q231 HydrophobicContact CG2-CG 3.55Å; V228-Q231 WeakPolarHBondContact O-CB 3.27Å; V228-Q231 PolarHBondContact O-N 2.94Å; V228-Q232 PolarHBondContact O-N 3.17Å; V228-Q232 VanDerWaalsContact O-N 3.14Å; V228-D346 HydrophobicContact CB-CB 4.36Å; V228-D346 HydrophobicContact CG2-CB 4.05Å; V228-M350 HydrophobicContact CG1-CE 4.29Å
229P95.4Very high92.1Very high0 Ų022.8 Ų22.80%012%0.12CC..Hα-helixtrans-48-44.8-176.7-32.637.6000115.7Q231 Q232 E233 W282 L286 Y290 K292 D346P229-Q231 VanDerWaalsContact C-N 3.32Å; P229-Q231 PolarHBondContact O-N 3.39Å; P229-Q232 PolarHBondContact O-N 3.41Å; P229-E233 VanDerWaalsContact O-CG 3.3Å; P229-E233 WeakPolarHBondContact O-CG 3.36Å; P229-E233 PolarHBondContact O-N 2.85Å; P229-W282 HydrophobicContact CG-CD2 3.85Å; P229-W282 HydrophobicContact CG-CE3 3.97Å; P229-W282 HydrophobicContact CG-CG 4.22Å; P229-W282 HydrophobicContact CG-CZ3 4.48Å; P229-L286 HydrophobicContact CG-CD1 4.04Å; P229-Y290 WeakPolarHBondContact CB-O 3.49Å; P229-K292 HydrophobicContact CB-CG 3.71Å; P229-K292 HydrophobicContact CG-CB 4.45Å; P229-K292 HydrophobicContact CG-CG 3.86Å; P229-D346 VanDerWaalsContact CB-OD2 3.27Å; P229-D346 WeakPolarHBondContact CB-OD2 3.43Å; P229-D346 VanDerWaalsContact CD-OD2 3.29Å; P229-D346 WeakPolarHBondContact CD-OD2 3.28Å
230S95.9Very high91.8Very high0 Ų023.1 Ų23.10%012%0.121CC..Hα-helixtrans-64-33.7177.658.20000113.5V228 G234 F237 V343 D346V228-S230 VanDerWaalsContact C-N 3.32Å; V228-S230 PolarHBondContact O-N 3.41Å; S230-G234 PolarHBondContact O-N 2.9Å; S230-G234 VanDerWaalsContact O-N 3.08Å; S230-F237 WeakPolarHBondContact O-CE2 3.22Å; S230-V343 PolarHBondContact OG-O 3.18Å; S230-D346 PolarHBondContact N-OD2 3.05Å; S230-D346 WeakPolarHBondContact OG-CB 3.32Å; S230-D346 VanDerWaalsContact OG-CG 3.25Å; S230-D346 PolarHBondContact OG-N 2.91Å; S230-D346 PolarHBondContact OG-OD2 2.85Å
231Q93.7Very high91.6Very high9 Ų925.5 Ų25.54%0.04214%0.136CC..Hα-helixtrans-69.7-36.6175.6-65.6-76.3-11.900111.3V228 P229 G234 V343V228-Q231 HydrophobicContact CG2-CB 4.16Å; V228-Q231 HydrophobicContact CG2-CG 3.55Å; V228-Q231 WeakPolarHBondContact O-CB 3.27Å; V228-Q231 PolarHBondContact O-N 2.94Å; P229-Q231 VanDerWaalsContact C-N 3.32Å; P229-Q231 PolarHBondContact O-N 3.39Å; Q231-G234 PolarHBondContact O-N 2.81Å; Q231-V343 PolarHBondContact NE2-O 2.81Å; Q231-V343 VanDerWaalsContact NE2-O 3.1Å
232Q91.6Very high91.4Very high94 Ų9428 Ų2844%0.43915%0.146SC..Hα-helixtrans-71.1-35176.7-66.8179.945.600112.5N227 V228 P229 G234N227-Q232 PolarHBondContact O-NE2 3.45Å; N227-Q232 VanDerWaalsContact OD1-CG 3.26Å; N227-Q232 WeakPolarHBondContact OD1-CG 2.98Å; V228-Q232 PolarHBondContact O-N 3.17Å; V228-Q232 VanDerWaalsContact O-N 3.14Å; P229-Q232 PolarHBondContact O-N 3.41Å; Q232-G234 VanDerWaalsContact C-N 3.27Å
233E90Very high91.2Very high52 Ų5231.1 Ų31.124%0.24317%0.168CC..Hα-helixtrans-73.3-21.5174.5-69.7167.2-179.500112.7P229 S235 F237 K292 R345P229-E233 VanDerWaalsContact O-CG 3.3Å; P229-E233 WeakPolarHBondContact O-CG 3.36Å; P229-E233 PolarHBondContact O-N 2.85Å; E233-S235 VanDerWaalsContact C-N 3.26Å; E233-S235 PolarHBondContact O-N 2.87Å; E233-S235 VanDerWaalsContact O-N 3.12Å; E233-F237 HydrophobicContact CB-CE1 4.33Å; E233-F237 HydrophobicContact CB-CE2 4.36Å; E233-F237 HydrophobicContact CB-CZ 3.7Å; E233-K292 WeakPolarHBondContact OE1-CE 3.36Å; E233-K292 IonicContact OE1-NZ 3.92Å; E233-K292 PolarHBondContact OE1-NZ 3.26Å; E233-R345 IonicContact OE2-CZ 2.7Å; E233-R345 VanDerWaalsContact OE2-CZ 3.31Å; E233-R345 IonicContact OE2-NH1 2.74Å; E233-R345 PolarHBondContact OE2-NH1 3.32Å; E233-R345 IonicContact OE2-NH2 3.91Å; E233-R345 PolarHBondContact OE2-NH2 3.25Å
234G79.2Confident91Very high0 Ų032.1 Ų32.10%017%0.173CC..G310 helixtrans-73.4-1-164.100000117.3S230 Q231 Q232 H236 F237S230-G234 PolarHBondContact O-N 2.9Å; S230-G234 VanDerWaalsContact O-N 3.08Å; Q231-G234 PolarHBondContact O-N 2.81Å; Q232-G234 VanDerWaalsContact C-N 3.27Å; G234-H236 PolarHBondContact O-N 2.85Å; G234-F237 VanDerWaalsContact CA-CD2 3.47Å; G234-F237 PolarHBondContact O-N 3.4Å; G234-F237 VanDerWaalsContact O-N 3.13Å
235S72.1Confident91Very high87 Ų8732.3 Ų32.361%0.60817%0.173SC*.G310 helixtrans-59.2-18.5177.555.10000113.3E233E233-S235 VanDerWaalsContact C-N 3.26Å; E233-S235 PolarHBondContact O-N 2.87Å; E233-S235 VanDerWaalsContact O-N 3.12Å
236H72.5Confident91Very high120 Ų12032.2 Ų32.256%0.55617%0.173SC*.G310 helixtrans-1178.2-178.9-54.6-59.2000113.5G234G234-H236 PolarHBondContact O-N 2.85Å
237F89.8Confident91.1Very high21 Ų2132.4 Ų32.49%0.09217%0.173CC..  trans-79.6138.1178.3-64.9-9.7000110.3S230 E233 G234 Y341 V343S230-F237 WeakPolarHBondContact O-CE2 3.22Å; E233-F237 HydrophobicContact CB-CE1 4.33Å; E233-F237 HydrophobicContact CB-CE2 4.36Å; E233-F237 HydrophobicContact CB-CZ 3.7Å; G234-F237 VanDerWaalsContact CA-CD2 3.47Å; G234-F237 PolarHBondContact O-N 3.4Å; G234-F237 VanDerWaalsContact O-N 3.13Å; F237-Y341 HydrophobicContact CD1-CD1 4.12Å; F237-Y341 AromaticContact CE1-CD1 3.83Å; F237-Y341 HydrophobicContact CE1-CD1 3.83Å; F237-V343 HydrophobicContact CD2-CG1 3.96Å
238P90.7Very high91.2Very high2 Ų230.5 Ų30.51%0.01316%0.162CC..SBendtrans-69.2156.2177.929.1-33.7000111L22 I26 V32 T36 L240 F371L22-P238 HydrophobicContact CD2-CB 3.8Å; L22-P238 HydrophobicContact CD2-CG 4.17Å; I26-P238 HydrophobicContact CD1-CG 3.83Å; V32-P238 HydrophobicContact CG1-CB 3.78Å; V32-P238 HydrophobicContact CG1-CG 4.01Å; T36-P238 HydrophobicContact CG2-CB 4.35Å; T36-P238 WeakPolarHBondContact OG1-CB 3.37Å; P238-L240 VanDerWaalsContact C-N 3.3Å; P238-L240 PolarHBondContact O-N 2.86Å; P238-F371 HydrophobicContact CB-CD2 4.43Å; P238-F371 HydrophobicContact CG-CB 3.55Å; P238-F371 HydrophobicContact CG-CD1 4.12Å; P238-F371 HydrophobicContact CG-CD2 3.89Å; P238-F371 HydrophobicContact CG-CG 3.59Å
239V92.2Very high91.4Very high21 Ų2130.8 Ų30.813%0.12716%0.163CC..SBendtrans66.9-68.3172.4178.80000114.9V39 F371 F377V39-V239 HydrophobicContact CG2-CG1 4.32Å; V239-F371 HydrophobicContact CB-CD2 4.5Å; V239-F371 HydrophobicContact CG2-CD2 4.11Å; V239-F371 HydrophobicContact CG2-CE2 3.96Å; V239-F377 HydrophobicContact CB-CE2 4.46Å; V239-F377 HydrophobicContact CB-CZ 4.46Å; V239-F377 HydrophobicContact CG1-CE2 4.13Å; V239-F377 HydrophobicContact CG1-CZ 3.88Å; V239-F377 HydrophobicContact CG2-CE2 3.74Å; V239-F377 HydrophobicContact CG2-CZ 3.74Å
240L94.3Very high91.5Very high7 Ų730.8 Ų30.84%0.03716%0.163CC..  trans-102.2105.4-176.6-174.464.7000110.9P238 L244 M245 F248 V343 L344 H372P238-L240 VanDerWaalsContact C-N 3.3Å; P238-L240 PolarHBondContact O-N 2.86Å; L240-L244 HydrophobicContact CD1-CB 4.29Å; L240-L244 HydrophobicContact CD1-CD2 4.18Å; L240-L244 HydrophobicContact CD1-CG 4.11Å; L240-M245 HydrophobicContact CD1-CB 4.13Å; L240-M245 HydrophobicContact CD1-SD 4.29Å; L240-M245 HydrophobicContact CD2-CB 4.43Å; L240-M245 HydrophobicContact CD2-CG 4.48Å; L240-M245 HydrophobicContact CD2-SD 3.79Å; L240-M245 HydrophobicContact CG-CB 4.33Å; L240-F248 HydrophobicContact CD1-CD2 4.21Å; L240-F248 HydrophobicContact CD1-CE2 4.08Å; L240-V343 HydrophobicContact CB-CG2 4.47Å; L240-V343 HydrophobicContact CD2-CG2 3.52Å; L240-V343 HydrophobicContact CG-CG2 3.71Å; L240-L344 HydrophobicContact CD2-CD1 4.19Å; L240-L344 HydrophobicContact CD2-CG 4.32Å; L240-H372 HydrophobicContact CB-CB 3.57Å; L240-H372 HydrophobicContact CD2-CB 4.03Å; L240-H372 VanDerWaalsContact CD2-CD2 3.43Å; L240-H372 WeakPolarHBondContact CD2-CD2 3.02Å; L240-H372 VanDerWaalsContact CD2-CG 3.4Å; L240-H372 HydrophobicContact CG-CB 4.45Å
241T93.4Very high91.6Very high50 Ų5030.8 Ų30.831%0.30716%0.163SC..  trans-85.8160.4172.666.50000111.3S243 L244 M245T241-S243 VanDerWaalsContact C-N 3.28Å; T241-S243 PolarHBondContact O-N 3.37Å; T241-S243 PolarHBondContact OG1-OG 2.87Å; T241-S243 VanDerWaalsContact OG1-OG 3.04Å; T241-L244 PolarHBondContact O-N 3.14Å; T241-L244 WeakPolarHBondContact OG1-CB 3.26Å; T241-L244 PolarHBondContact OG1-N 3.21Å; T241-L244 VanDerWaalsContact OG1-N 3.16Å; T241-M245 PolarHBondContact O-N 3.39Å
242R94Very high91.8Very high54 Ų5430.3 Ų30.320%0.20416%0.161CC..Hα-helixtrans-54.6-43.3171.6175.6176.1-176.8-91.4-5.3112.2T226 M245 V246 L264T226-R242 PolarHBondContact O-NE 3.43Å; T226-R242 PolarHBondContact O-NH2 3.33Å; T226-R242 PolarHBondContact OG1-NH2 3.31Å; R242-M245 PolarHBondContact O-N 3.29Å; R242-V246 WeakPolarHBondContact O-CG2 3.19Å; R242-V246 PolarHBondContact O-N 3.11Å; R242-L264 PolarHBondContact NH1-O 2.9Å; R242-L264 PolarHBondContact NH2-O 3.09Å
243S93.7Very high92.2Very high69 Ų6926.5 Ų26.548%0.48314%0.143SC..Hα-helixtrans-65.3-42.2-179.453.30000111.8T241 V246 R247T241-S243 VanDerWaalsContact C-N 3.28Å; T241-S243 PolarHBondContact O-N 3.37Å; T241-S243 PolarHBondContact OG1-OG 2.87Å; T241-S243 VanDerWaalsContact OG1-OG 3.04Å; S243-V246 PolarHBondContact O-N 2.66Å; S243-R247 WeakPolarHBondContact O-CB 3.49Å; S243-R247 PolarHBondContact O-N 2.99Å
244L94.7Very high92.5Very high22 Ų2224.5 Ų24.512%0.11513%0.134CC..Hα-helixtrans-66.5-39.6176.9-176.758.6000111.6V39 T43 F57 L240 T241 R247 F248V39-L244 HydrophobicContact CG1-CD2 4.48Å; T43-L244 HydrophobicContact CG2-CD1 4.23Å; T43-L244 HydrophobicContact CG2-CD2 4.24Å; F57-L244 HydrophobicContact CE1-CD1 4.19Å; F57-L244 HydrophobicContact CZ-CD1 4.09Å; L240-L244 HydrophobicContact CD1-CB 4.29Å; L240-L244 HydrophobicContact CD1-CD2 4.18Å; L240-L244 HydrophobicContact CD1-CG 4.11Å; T241-L244 PolarHBondContact O-N 3.14Å; T241-L244 WeakPolarHBondContact OG1-CB 3.26Å; T241-L244 PolarHBondContact OG1-N 3.21Å; T241-L244 VanDerWaalsContact OG1-N 3.16Å; L244-R247 WeakPolarHBondContact O-CB 3.42Å; L244-R247 PolarHBondContact O-N 2.8Å; L244-F248 HydrophobicContact CD1-CD2 4.43Å; L244-F248 HydrophobicContact CD1-CE2 3.89Å; L244-F248 HydrophobicContact CD1-CZ 3.94Å; L244-F248 HydrophobicContact CD2-CE2 4.07Å; L244-F248 HydrophobicContact CD2-CZ 4.47Å; L244-F248 HydrophobicContact CG-CD2 4.12Å; L244-F248 HydrophobicContact CG-CE2 3.59Å; L244-F248 HydrophobicContact CG-CZ 4.12Å; L244-F248 VanDerWaalsContact O-CD2 3.28Å; L244-F248 WeakPolarHBondContact O-CD2 3.45Å; L244-F248 PolarHBondContact O-N 3.34Å
245M96.5Very high93.3Very high3 Ų327.6 Ų27.62%0.01515%0.154CC..Hα-helixtrans-64.1-42.7174.8-168.863.1-119.700112.1W114 A220 L240 T241 R242 R247 F248 W249 V343 L344W114-M245 HydrophobicContact CH2-CE 3.7Å; W114-M245 HydrophobicContact CZ3-CE 3.5Å; W114-M245 VanDerWaalsContact CZ3-CE 3.5Å; A220-M245 HydrophobicContact CB-CE 4.4Å; L240-M245 HydrophobicContact CD1-CB 4.13Å; L240-M245 HydrophobicContact CD1-SD 4.29Å; L240-M245 HydrophobicContact CD2-CB 4.43Å; L240-M245 HydrophobicContact CD2-CG 4.48Å; L240-M245 HydrophobicContact CD2-SD 3.79Å; L240-M245 HydrophobicContact CG-CB 4.33Å; T241-M245 PolarHBondContact O-N 3.39Å; R242-M245 PolarHBondContact O-N 3.29Å; M245-R247 VanDerWaalsContact C-N 3.31Å; M245-R247 PolarHBondContact O-N 3.06Å; M245-F248 HydrophobicContact CE-CB 3.98Å; M245-F248 PolarHBondContact O-N 2.83Å; M245-W249 HydrophobicContact CE-CD2 4.27Å; M245-W249 HydrophobicContact CE-CG 4.02Å; M245-W249 PolarHBondContact O-N 2.99Å; M245-V343 HydrophobicContact CB-CG2 4.17Å; M245-V343 HydrophobicContact CG-CG2 4.37Å; M245-L344 HydrophobicContact CG-CD2 4.08Å; M245-L344 HydrophobicContact SD-CD1 4.02Å; M245-L344 HydrophobicContact SD-CD2 3.99Å; M245-L344 HydrophobicContact SD-CG 4.24Å
246V96.6Very high94.5Very high2 Ų225.9 Ų25.91%0.01214%0.137CC..Hα-helixtrans-63.9-38174.3170.70000111.4T226 R242 S243 W249 S250 E260 M263 L264T226-V246 HydrophobicContact CG2-CG2 4.22Å; R242-V246 WeakPolarHBondContact O-CG2 3.19Å; R242-V246 PolarHBondContact O-N 3.11Å; S243-V246 PolarHBondContact O-N 2.66Å; V246-W249 PolarHBondContact O-N 3.45Å; V246-S250 WeakPolarHBondContact O-CB 3.5Å; V246-S250 PolarHBondContact O-N 3.42Å; V246-E260 HydrophobicContact CG1-CG 3.88Å; V246-M263 HydrophobicContact CG1-CB 3.49Å; V246-M263 VanDerWaalsContact CG1-CB 3.49Å; V246-L264 HydrophobicContact CB-CD2 3.93Å; V246-L264 HydrophobicContact CB-CG 4.29Å; V246-L264 HydrophobicContact CG1-CD2 3.92Å; V246-L264 HydrophobicContact CG1-CG 3.7Å; V246-L264 HydrophobicContact CG2-CD2 4.17Å
247R96.5Very high95.5Very high10 Ų1025.5 Ų25.54%0.03813%0.131CC..Hα-helixtrans-59.2-46.1172.9-174.767.8175.4138.47.7111E50 H56 F57 M58 S243 L244 M245 S250 E251 R257 E260E50-R247 IonicContact OE1-NH2 3Å; E50-R247 PolarHBondContact OE1-NH2 2.73Å; E50-R247 IonicContact OE2-NH2 3.45Å; H56-R247 PolarHBondContact NE2-NH2 3.23Å; F57-R247 HydrophobicContact CD1-CG 4.41Å; F57-R247 HydrophobicContact CE1-CG 4.3Å; M58-R247 HydrophobicContact CE-CG 3.59Å; S243-R247 WeakPolarHBondContact O-CB 3.49Å; S243-R247 PolarHBondContact O-N 2.99Å; L244-R247 WeakPolarHBondContact O-CB 3.42Å; L244-R247 PolarHBondContact O-N 2.8Å; M245-R247 VanDerWaalsContact C-N 3.31Å; M245-R247 PolarHBondContact O-N 3.06Å; R247-S250 PolarHBondContact O-N 2.87Å; R247-E251 IonicContact CZ-OE1 3.92Å; R247-E251 IonicContact NE-OE1 3.24Å; R247-E251 IonicContact NH1-OE1 2.64Å; R247-E251 PolarHBondContact NH1-OE1 3.38Å; R247-E251 IonicContact NH2-OE1 3.22Å; R247-E251 PolarHBondContact NH2-OE1 2.76Å; R247-E251 WeakPolarHBondContact O-CB 3.43Å; R247-E251 VanDerWaalsContact O-CG 3.29Å; R247-E251 WeakPolarHBondContact O-CG 3.43Å; R247-E251 PolarHBondContact O-N 3.18Å; R247-R257 VanDerWaalsContact NH1-CZ 3.33Å; R247-E260 WeakPolarHBondContact CD-OE2 3.46Å; R247-E260 IonicContact CZ-OE2 3.47Å; R247-E260 IonicContact NE-OE2 3.13Å; R247-E260 IonicContact NH1-OE2 3.54Å; R247-E260 PolarHBondContact NH1-OE2 3.4Å
248F98Very high95.8Very high18 Ų1826.1 Ų26.18%0.07914%0.143CC..Hα-helixtrans-62.6-45.2175.4-72.2-48.6000113.2M58 G113 W114 C115 L116 L240 L244 M245 E251 Y252M58-F248 HydrophobicContact CE-CD1 3.61Å; M58-F248 HydrophobicContact CE-CE1 3.82Å; M58-F248 HydrophobicContact SD-CD1 4.12Å; M58-F248 HydrophobicContact SD-CE1 3.87Å; G113-F248 WeakPolarHBondContact O-CD1 3.34Å; W114-F248 HydrophobicContact CE3-CB 4.38Å; W114-F248 HydrophobicContact CZ3-CB 4.28Å; C115-F248 HydrophobicContact CB-CD1 4.09Å; C115-F248 HydrophobicContact CB-CE1 4.21Å; L116-F248 HydrophobicContact CD1-CE1 3.67Å; L116-F248 HydrophobicContact CD1-CZ 3.62Å; L116-F248 HydrophobicContact CG-CE1 4.03Å; L116-F248 HydrophobicContact CG-CZ 4.44Å; L240-F248 HydrophobicContact CD1-CD2 4.21Å; L240-F248 HydrophobicContact CD1-CE2 4.08Å; L244-F248 HydrophobicContact CD1-CD2 4.43Å; L244-F248 HydrophobicContact CD1-CE2 3.89Å; L244-F248 HydrophobicContact CD1-CZ 3.94Å; L244-F248 HydrophobicContact CD2-CE2 4.07Å; L244-F248 HydrophobicContact CD2-CZ 4.47Å; L244-F248 HydrophobicContact CG-CD2 4.12Å; L244-F248 HydrophobicContact CG-CE2 3.59Å; L244-F248 HydrophobicContact CG-CZ 4.12Å; L244-F248 VanDerWaalsContact O-CD2 3.28Å; L244-F248 WeakPolarHBondContact O-CD2 3.45Å; L244-F248 PolarHBondContact O-N 3.34Å; M245-F248 HydrophobicContact CE-CB 3.98Å; M245-F248 PolarHBondContact O-N 2.83Å; F248-E251 PolarHBondContact O-N 3.15Å; F248-Y252 WeakPolarHBondContact O-CB 3.33Å; F248-Y252 PolarHBondContact O-N 2.89Å
249W98.2Very high96.2Very high5 Ų526 Ų262%0.01914%0.142CC..Hα-helixtrans-60.4-46176-85.5126.7000111.9W114 A220 Q222 A223 M245 V246 Y252 F253 M263 A318W114-W249 HydrophobicContact CE3-CE3 4.46Å; W114-W249 AromaticContact CH2-CD2 3.6Å; W114-W249 HydrophobicContact CH2-CD2 3.6Å; W114-W249 AromaticContact CH2-CE2 3.61Å; W114-W249 AromaticContact CH2-CE3 3.47Å; W114-W249 HydrophobicContact CH2-CE3 3.47Å; W114-W249 VanDerWaalsContact CH2-CE3 3.47Å; W114-W249 HydrophobicContact CH2-CG 4.49Å; W114-W249 AromaticContact CH2-CH2 3.41Å; W114-W249 HydrophobicContact CH2-CH2 3.41Å; W114-W249 VanDerWaalsContact CH2-CH2 3.41Å; W114-W249 AromaticContact CH2-CZ2 3.53Å; W114-W249 HydrophobicContact CH2-CZ2 3.53Å; W114-W249 AromaticContact CH2-CZ3 3.37Å; W114-W249 HydrophobicContact CH2-CZ3 3.37Å; W114-W249 HydrophobicContact CZ2-CE3 4.19Å; W114-W249 AromaticContact CZ2-CH2 3.64Å; W114-W249 HydrophobicContact CZ2-CH2 3.64Å; W114-W249 HydrophobicContact CZ2-CZ2 4.15Å; W114-W249 AromaticContact CZ2-CZ3 3.66Å; W114-W249 HydrophobicContact CZ2-CZ3 3.66Å; W114-W249 AromaticContact CZ3-CD2 3.7Å; W114-W249 HydrophobicContact CZ3-CD2 3.7Å; W114-W249 AromaticContact CZ3-CE3 3.62Å; W114-W249 HydrophobicContact CZ3-CE3 3.62Å; W114-W249 HydrophobicContact CZ3-CG 4.24Å; W114-W249 HydrophobicContact CZ3-CH2 4.38Å; W114-W249 HydrophobicContact CZ3-CZ2 4.46Å; W114-W249 AromaticContact CZ3-CZ3 3.97Å; W114-W249 HydrophobicContact CZ3-CZ3 3.97Å; A220-W249 HydrophobicContact CB-CZ2 3.93Å; Q222-W249 VanDerWaalsContact O-CZ2 3.25Å; Q222-W249 WeakPolarHBondContact O-CZ2 3.37Å; A223-W249 HydrophobicContact CB-CD2 3.64Å; A223-W249 HydrophobicContact CB-CE3 3.72Å; A223-W249 HydrophobicContact CB-CG 4.16Å; A223-W249 HydrophobicContact CB-CH2 4.17Å; A223-W249 HydrophobicContact CB-CZ2 4.09Å; A223-W249 HydrophobicContact CB-CZ3 3.99Å; M245-W249 HydrophobicContact CE-CD2 4.27Å; M245-W249 HydrophobicContact CE-CG 4.02Å; M245-W249 PolarHBondContact O-N 2.99Å; V246-W249 PolarHBondContact O-N 3.45Å; W249-Y252 HydrophobicContact CE3-CD1 4.07Å; W249-Y252 AromaticContact CZ3-CD1 3.95Å; W249-Y252 HydrophobicContact CZ3-CD1 3.95Å; W249-Y252 HydrophobicContact CZ3-CE1 4.3Å; W249-Y252 WeakPolarHBondContact O-CB 3.24Å; W249-Y252 PolarHBondContact O-N 3.49Å; W249-F253 AromaticContact CE3-CE2 3.78Å; W249-F253 HydrophobicContact CE3-CE2 3.78Å; W249-F253 AromaticContact CE3-CZ 3.71Å; W249-F253 HydrophobicContact CE3-CZ 3.71Å; W249-F253 HydrophobicContact CZ3-CE2 4.42Å; W249-F253 AromaticContact CZ3-CZ 3.91Å; W249-F253 HydrophobicContact CZ3-CZ 3.91Å; W249-F253 WeakPolarHBondContact O-CD2 3.41Å; W249-F253 VanDerWaalsContact O-CE2 3.25Å; W249-F253 WeakPolarHBondContact O-CE2 3.34Å; W249-F253 PolarHBondContact O-N 2.84Å; W249-M263 HydrophobicContact CB-CE 4.48Å; W249-M263 HydrophobicContact CB-SD 4.02Å; W249-A318 WeakPolarHBondContact CH2-O 3.02Å
250S98Very high96.4Very high0 Ų025.5 Ų25.50%014%0.139CC..Hα-helixtrans-61-52.1178-172.80000110.8V246 R247 Y252 F253 T254 E260V246-S250 WeakPolarHBondContact O-CB 3.5Å; V246-S250 PolarHBondContact O-N 3.42Å; R247-S250 PolarHBondContact O-N 2.87Å; S250-Y252 PolarHBondContact O-N 3.41Å; S250-F253 CarbonylContact O-C 3.59Å; S250-F253 PolarHBondContact O-N 2.94Å; S250-T254 CarbonylContact C-O 3.58Å; S250-T254 VanDerWaalsContact C-O 3.32Å; S250-T254 PolarHBondContact O-N 2.94Å; S250-E260 WeakPolarHBondContact OG-CB 3.33Å; S250-E260 PolarHBondContact OG-N 3.33Å
251E98.1Very high96.5Very high0 Ų032 Ų320%017%0.167CC..Hα-helixtrans-62-30.7-179.1-74.1-63.2155.700113.1H56 M58 A147 H151 R247 F248 F253 T254H56-E251 VanDerWaalsContact CE1-CD 3.45Å; H56-E251 IonicContact CE1-OE1 2.81Å; H56-E251 PolarHBondContact CE1-OE1 2.9Å; H56-E251 IonicContact CE1-OE2 3.26Å; H56-E251 PolarHBondContact CE1-OE2 3.26Å; H56-E251 VanDerWaalsContact CE1-OE2 3.3Å; H56-E251 IonicContact NE2-OE1 3.38Å; H56-E251 PolarHBondContact NE2-OE1 2.93Å; H56-E251 IonicContact NE2-OE2 3.3Å; M58-E251 HydrophobicContact CE-CB 4.08Å; M58-E251 HydrophobicContact CE-CG 3.66Å; M58-E251 HydrophobicContact CG-CB 4.4Å; M58-E251 HydrophobicContact CG-CG 4Å; A147-E251 WeakPolarHBondContact CB-O 3.27Å; H151-E251 PolarHBondContact CE1-O 2.93Å; H151-E251 PolarHBondContact ND1-O 3.39Å; R247-E251 IonicContact CZ-OE1 3.92Å; R247-E251 IonicContact NE-OE1 3.24Å; R247-E251 IonicContact NH1-OE1 2.64Å; R247-E251 PolarHBondContact NH1-OE1 3.38Å; R247-E251 IonicContact NH2-OE1 3.22Å; R247-E251 PolarHBondContact NH2-OE1 2.76Å; R247-E251 WeakPolarHBondContact O-CB 3.43Å; R247-E251 VanDerWaalsContact O-CG 3.29Å; R247-E251 WeakPolarHBondContact O-CG 3.43Å; R247-E251 PolarHBondContact O-N 3.18Å; F248-E251 PolarHBondContact O-N 3.15Å; E251-F253 PolarHBondContact O-N 3.27Å; E251-T254 WeakPolarHBondContact CA-O 3.25Å
252Y98.6Very high96.7Very high0 Ų030.3 Ų30.30%016%0.157CC..Hα-helixtrans-58.7-36.1172.2-173.9-153.5000111.4W114 H151 F152 Q155 F248 W249 S250 A318W114-Y252 HydrophobicContact CB-CD2 3.53Å; W114-Y252 HydrophobicContact CB-CE2 3.97Å; W114-Y252 HydrophobicContact CB-CG 3.85Å; W114-Y252 AromaticContact CD1-CE1 3.84Å; W114-Y252 AromaticContact CD1-CE2 3.75Å; W114-Y252 AromaticContact CD1-CZ 3.58Å; W114-Y252 AromaticContact CD2-CD1 3.6Å; W114-Y252 HydrophobicContact CD2-CD1 3.6Å; W114-Y252 HydrophobicContact CD2-CD2 4.21Å; W114-Y252 AromaticContact CD2-CE1 3.95Å; W114-Y252 HydrophobicContact CD2-CE1 3.95Å; W114-Y252 AromaticContact CD2-CG 3.73Å; W114-Y252 HydrophobicContact CD2-CG 3.73Å; W114-Y252 AromaticContact CE2-CD1 3.84Å; W114-Y252 AromaticContact CE2-CE1 3.79Å; W114-Y252 AromaticContact CE3-CD1 3.88Å; W114-Y252 HydrophobicContact CE3-CD1 3.88Å; W114-Y252 AromaticContact CE3-CG 3.91Å; W114-Y252 HydrophobicContact CE3-CG 3.91Å; W114-Y252 AromaticContact CG-CD1 3.89Å; W114-Y252 HydrophobicContact CG-CD1 3.89Å; W114-Y252 AromaticContact CG-CD2 3.66Å; W114-Y252 HydrophobicContact CG-CD2 3.66Å; W114-Y252 HydrophobicContact CG-CE1 4.02Å; W114-Y252 AromaticContact CG-CE2 3.82Å; W114-Y252 HydrophobicContact CG-CE2 3.82Å; W114-Y252 AromaticContact CG-CG 3.69Å; W114-Y252 HydrophobicContact CG-CG 3.69Å; W114-Y252 AromaticContact CG-CZ 3.96Å; W114-Y252 HydrophobicContact CZ2-CD1 4.36Å; W114-Y252 HydrophobicContact CZ2-CE1 4.39Å; W114-Y252 HydrophobicContact CZ3-CD1 4.38Å; W114-Y252 AromaticContact NE1-CE1 3.66Å; W114-Y252 AromaticContact NE1-CZ 3.79Å; H151-Y252 CarbonylContact C-O 3.52Å; H151-Y252 WeakPolarHBondContact CA-O 3.49Å; F152-Y252 HydrophobicContact CB-CD2 3.97Å; F152-Y252 HydrophobicContact CB-CE2 3.78Å; F152-Y252 HydrophobicContact CB-CG 4.44Å; F152-Y252 WeakPolarHBondContact CB-O 3.05Å; F152-Y252 HydrophobicContact CD2-CE1 4.03Å; F152-Y252 HydrophobicContact CD2-CE2 4.02Å; F152-Y252 AromaticContact CD2-CZ 3.58Å; F152-Y252 WeakPolarHBondContact CD2-OH 3.25Å; F152-Y252 HydrophobicContact CG-CE2 4.42Å; F152-Y252 PolarHBondContact N-O 3.1Å; Q155-Y252 HydrophobicContact CB-CE2 3.86Å; Q155-Y252 VanDerWaalsContact CD-CE2 3.46Å; Q155-Y252 HydrophobicContact CG-CD2 4.3Å; Q155-Y252 HydrophobicContact CG-CE2 3.74Å; F248-Y252 WeakPolarHBondContact O-CB 3.33Å; F248-Y252 PolarHBondContact O-N 2.89Å; W249-Y252 HydrophobicContact CE3-CD1 4.07Å; W249-Y252 AromaticContact CZ3-CD1 3.95Å; W249-Y252 HydrophobicContact CZ3-CD1 3.95Å; W249-Y252 HydrophobicContact CZ3-CE1 4.3Å; W249-Y252 WeakPolarHBondContact O-CB 3.24Å; W249-Y252 PolarHBondContact O-N 3.49Å; S250-Y252 PolarHBondContact O-N 3.41Å; Y252-A318 HydrophobicContact CE1-CB 3.87Å
253F98.4Very high96.9Very high13 Ų1327.7 Ų27.76%0.05715%0.148CC..Hα-helixtrans-95-34.1179.8-52.5-55000113.7F152 A223 W249 S250 E251 L259 M263 G312 F313 A318F152-F253 HydrophobicContact CB-CD1 3.85Å; F152-F253 HydrophobicContact CB-CE1 4.26Å; F152-F253 HydrophobicContact CD1-CD1 4.41Å; F152-F253 HydrophobicContact CG-CD1 4.16Å; F152-F253 HydrophobicContact CG-CE1 4.22Å; A223-F253 HydrophobicContact CB-CE2 4.31Å; W249-F253 AromaticContact CE3-CE2 3.78Å; W249-F253 HydrophobicContact CE3-CE2 3.78Å; W249-F253 AromaticContact CE3-CZ 3.71Å; W249-F253 HydrophobicContact CE3-CZ 3.71Å; W249-F253 HydrophobicContact CZ3-CE2 4.42Å; W249-F253 AromaticContact CZ3-CZ 3.91Å; W249-F253 HydrophobicContact CZ3-CZ 3.91Å; W249-F253 WeakPolarHBondContact O-CD2 3.41Å; W249-F253 VanDerWaalsContact O-CE2 3.25Å; W249-F253 WeakPolarHBondContact O-CE2 3.34Å; W249-F253 PolarHBondContact O-N 2.84Å; S250-F253 CarbonylContact O-C 3.59Å; S250-F253 PolarHBondContact O-N 2.94Å; E251-F253 PolarHBondContact O-N 3.27Å; F253-L259 HydrophobicContact CB-CD2 3.91Å; F253-L259 HydrophobicContact CD2-CD2 4.07Å; F253-L259 HydrophobicContact CG-CD2 4.45Å; F253-M263 HydrophobicContact CD2-CE 3.89Å; F253-M263 HydrophobicContact CE2-CE 3.88Å; F253-G312 VanDerWaalsContact CE1-CA 3.5Å; F253-F313 HydrophobicContact CD2-CB 4.04Å; F253-F313 HydrophobicContact CE2-CB 3.51Å; F253-F313 HydrophobicContact CZ-CB 3.85Å; F253-A318 HydrophobicContact CE1-CB 3.72Å; F253-A318 HydrophobicContact CZ-CB 4.01Å
254T97.8Very high97Very high10 Ų1027.2 Ų27.26%0.06114%0.139CC..  trans-174156.9-173.9-171.40000113.4S250 E251 D256 L259 Y310S250-T254 CarbonylContact C-O 3.58Å; S250-T254 VanDerWaalsContact C-O 3.32Å; S250-T254 PolarHBondContact O-N 2.94Å; E251-T254 WeakPolarHBondContact CA-O 3.25Å; T254-D256 VanDerWaalsContact C-N 3.27Å; T254-D256 HydrophobicContact CG2-CB 3.81Å; T254-D256 PolarHBondContact OG1-N 2.92Å; T254-D256 VanDerWaalsContact OG1-N 3.14Å; T254-L259 HydrophobicContact CG2-CB 4.08Å; T254-L259 HydrophobicContact CG2-CD2 3.78Å; T254-Y310 HydrophobicContact CG2-CD1 3.81Å; T254-Y310 HydrophobicContact CG2-CD2 3.88Å; T254-Y310 HydrophobicContact CG2-CE1 3.67Å; T254-Y310 HydrophobicContact CG2-CE2 3.73Å; T254-Y310 HydrophobicContact CG2-CG 3.9Å; T254-Y310 WeakPolarHBondContact OG1-CE1 3.26Å; T254-Y310 VanDerWaalsContact OG1-CZ 3.28Å; T254-Y310 PolarHBondContact OG1-OH 3.11Å; T254-Y310 VanDerWaalsContact OG1-OH 3.14Å
255T96.3Very high97.1Very high66 Ų6630.7 Ų30.741%0.40516%0.158SC..SBendtrans-79-2.6165.852.80000114.2P148 H151 R257P148-T255 HydrophobicContact CB-CG2 3.65Å; H151-T255 PolarHBondContact CE1-N 3.36Å; T255-R257 PolarHBondContact O-N 2.88Å; T255-R257 VanDerWaalsContact O-N 3.14Å
256D95.8Very high97Very high50 Ų5031.2 Ų31.227%0.26716%0.161SC..  trans-69.7107.8178.1-174.1-14.1000111.8T254 G258 L259 K309 Y310T254-D256 VanDerWaalsContact C-N 3.27Å; T254-D256 HydrophobicContact CG2-CB 3.81Å; T254-D256 PolarHBondContact OG1-N 2.92Å; T254-D256 VanDerWaalsContact OG1-N 3.14Å; D256-G258 PolarHBondContact O-N 3.32Å; D256-G258 VanDerWaalsContact O-N 3.09Å; D256-G258 WeakPolarHBondContact OD1-CA 3.26Å; D256-G258 PolarHBondContact OD1-N 3.46Å; D256-L259 PolarHBondContact O-N 2.93Å; D256-L259 VanDerWaalsContact O-N 3.08Å; D256-K309 IonicContact OD2-NZ 2.77Å; D256-K309 PolarHBondContact OD2-NZ 3.31Å; D256-Y310 HydrophobicContact CB-CE2 3.92Å; D256-Y310 WeakPolarHBondContact CB-OH 3.43Å; D256-Y310 PolarHBondContact OD2-OH 3.38Å; D256-Y310 VanDerWaalsContact OD2-OH 3.05Å
257R94.8Very high97Very high113 Ų11335 Ų3543%0.42618%0.178SC..Hα-helixtrans-62.1-15.3178.8-59.6-57.6-60.6-128.36.1113.9E50 R247 T255 L259 E260 K261E50-R257 IonicContact OE2-NH1 3.71Å; E50-R257 PolarHBondContact OE2-NH1 3.09Å; E50-R257 VanDerWaalsContact OE2-NH1 3.13Å; R247-R257 VanDerWaalsContact NH1-CZ 3.33Å; T255-R257 PolarHBondContact O-N 2.88Å; T255-R257 VanDerWaalsContact O-N 3.14Å; R257-L259 VanDerWaalsContact C-N 3.33Å; R257-E260 VanDerWaalsContact CZ-CD 3.46Å; R257-E260 IonicContact CZ-OE1 2.66Å; R257-E260 IonicContact CZ-OE2 2.92Å; R257-E260 IonicContact NE-OE1 2.68Å; R257-E260 IonicContact NE-OE2 2.84Å; R257-E260 PolarHBondContact NE-OE2 2.98Å; R257-E260 IonicContact NH1-OE2 3.59Å; R257-E260 IonicContact NH2-OE1 3.91Å; R257-E260 PolarHBondContact NH2-OE1 2.95Å; R257-E260 IonicContact NH2-OE2 2.81Å; R257-E260 PolarHBondContact NH2-OE2 3.45Å; R257-E260 PolarHBondContact O-N 3.46Å; R257-K261 WeakPolarHBondContact O-CB 3.32Å; R257-K261 PolarHBondContact O-N 3.25Å
258G96.3Very high97.1Very high33 Ų3334.6 Ų34.634%0.3418%0.177SC..Hα-helixtrans-60.8-41171.100000112.2D256 A262D256-G258 PolarHBondContact O-N 3.32Å; D256-G258 VanDerWaalsContact O-N 3.09Å; D256-G258 WeakPolarHBondContact OD1-CA 3.26Å; D256-G258 PolarHBondContact OD1-N 3.46Å; G258-A262 WeakPolarHBondContact O-CB 3.16Å; G258-A262 PolarHBondContact O-N 3.38Å; G258-A262 VanDerWaalsContact O-N 3.08Å
259L97.3Very high97Very high0 Ų034 Ų340%018%0.175CC..Hα-helixtrans-66.4-46.7175.7-177.661.5000110.9F253 T254 D256 R257 K261 A262 M263 H268 L306 Y310 F313F253-L259 HydrophobicContact CB-CD2 3.91Å; F253-L259 HydrophobicContact CD2-CD2 4.07Å; F253-L259 HydrophobicContact CG-CD2 4.45Å; T254-L259 HydrophobicContact CG2-CB 4.08Å; T254-L259 HydrophobicContact CG2-CD2 3.78Å; D256-L259 PolarHBondContact O-N 2.93Å; D256-L259 VanDerWaalsContact O-N 3.08Å; R257-L259 VanDerWaalsContact C-N 3.33Å; L259-K261 VanDerWaalsContact C-N 3.32Å; L259-K261 PolarHBondContact O-N 3.05Å; L259-A262 PolarHBondContact O-N 3.08Å; L259-A262 VanDerWaalsContact O-N 3.16Å; L259-M263 HydrophobicContact CD1-CE 3.95Å; L259-M263 HydrophobicContact CD1-CG 4.36Å; L259-M263 HydrophobicContact CD1-SD 4.47Å; L259-M263 HydrophobicContact CD2-CE 4Å; L259-M263 HydrophobicContact CG-CE 3.93Å; L259-M263 HydrophobicContact CG-CG 4.43Å; L259-M263 HydrophobicContact CG-SD 4.08Å; L259-M263 WeakPolarHBondContact O-CB 3.42Å; L259-M263 WeakPolarHBondContact O-CG 3.42Å; L259-M263 PolarHBondContact O-N 3.49Å; L259-H268 HydrophobicContact CD1-CB 4.3Å; L259-L306 HydrophobicContact CB-CD2 4.41Å; L259-L306 HydrophobicContact CD1-CB 4.46Å; L259-L306 HydrophobicContact CD1-CD1 4.47Å; L259-Y310 HydrophobicContact CB-CD2 4.37Å; L259-Y310 HydrophobicContact CD2-CD2 4.23Å; L259-Y310 HydrophobicContact CD2-CG 4.33Å; L259-F313 HydrophobicContact CD1-CD1 4.02Å; L259-F313 HydrophobicContact CD1-CE1 3.8Å; L259-F313 HydrophobicContact CD2-CD1 4.43Å
260E97.1Very high96.9Very high11 Ų1133.9 Ų33.95%0.05117%0.174CC..Hα-helixtrans-57.9-45.3177.8-166.6-173.9136.200112V246 R247 S250 R257 A262 M263 L264V246-E260 HydrophobicContact CG1-CG 3.88Å; R247-E260 WeakPolarHBondContact CD-OE2 3.46Å; R247-E260 IonicContact CZ-OE2 3.47Å; R247-E260 IonicContact NE-OE2 3.13Å; R247-E260 IonicContact NH1-OE2 3.54Å; R247-E260 PolarHBondContact NH1-OE2 3.4Å; S250-E260 WeakPolarHBondContact OG-CB 3.33Å; S250-E260 PolarHBondContact OG-N 3.33Å; R257-E260 VanDerWaalsContact CZ-CD 3.46Å; R257-E260 IonicContact CZ-OE1 2.66Å; R257-E260 IonicContact CZ-OE2 2.92Å; R257-E260 IonicContact NE-OE1 2.68Å; R257-E260 IonicContact NE-OE2 2.84Å; R257-E260 PolarHBondContact NE-OE2 2.98Å; R257-E260 IonicContact NH1-OE2 3.59Å; R257-E260 IonicContact NH2-OE1 3.91Å; R257-E260 PolarHBondContact NH2-OE1 2.95Å; R257-E260 IonicContact NH2-OE2 2.81Å; R257-E260 PolarHBondContact NH2-OE2 3.45Å; R257-E260 PolarHBondContact O-N 3.46Å; E260-A262 VanDerWaalsContact C-N 3.33Å; E260-A262 PolarHBondContact O-N 3.15Å; E260-M263 PolarHBondContact O-N 3.48Å; E260-L264 HydrophobicContact CG-CD1 4.35Å; E260-L264 WeakPolarHBondContact O-CB 3.32Å; E260-L264 WeakPolarHBondContact O-CG 3.48Å; E260-L264 PolarHBondContact O-N 3.47Å
261K97.3Very high96.8Very high144 Ų14439.6 Ų39.663%0.62620%0.202SC*.Hα-helixtrans-60.4-43.9177.5-176179177.5-177.60111.2R257 L259 L264 L265R257-K261 WeakPolarHBondContact O-CB 3.32Å; R257-K261 PolarHBondContact O-N 3.25Å; L259-K261 VanDerWaalsContact C-N 3.32Å; L259-K261 PolarHBondContact O-N 3.05Å; K261-L264 PolarHBondContact O-N 3.02Å; K261-L265 HydrophobicContact CG-CD1 4.39Å; K261-L265 WeakPolarHBondContact O-CG 3.4Å; K261-L265 PolarHBondContact O-N 3.45Å; K261-L265 VanDerWaalsContact O-N 3.16Å
262A97.5Very high96.7Very high13 Ų1344.5 Ų44.511%0.10723%0.225CC..Hα-helixtrans-64.4-42.3177.200000111.7G258 L259 E260 L265 N266 Q267 H268 L306G258-A262 WeakPolarHBondContact O-CB 3.16Å; G258-A262 PolarHBondContact O-N 3.38Å; G258-A262 VanDerWaalsContact O-N 3.08Å; L259-A262 PolarHBondContact O-N 3.08Å; L259-A262 VanDerWaalsContact O-N 3.16Å; E260-A262 VanDerWaalsContact C-N 3.33Å; E260-A262 PolarHBondContact O-N 3.15Å; A262-L265 CarbonylContact O-C 3.56Å; A262-L265 PolarHBondContact O-N 3.23Å; A262-N266 PolarHBondContact O-N 3.32Å; A262-Q267 PolarHBondContact O-N 2.76Å; A262-H268 HydrophobicContact CB-CB 3.82Å; A262-L306 HydrophobicContact CB-CD1 3.52Å
263M97.2Very high96.6Very high0 Ų045 Ų450%023%0.229CC..Hα-helixtrans-64.4-40.2174.8-75.4178.9168.600112.5T226 V246 W249 F253 L259 E260 L265 N266 H268 F313T226-M263 HydrophobicContact CG2-CB 4.3Å; T226-M263 PolarHBondContact OG1-O 3.04Å; V246-M263 HydrophobicContact CG1-CB 3.49Å; V246-M263 VanDerWaalsContact CG1-CB 3.49Å; W249-M263 HydrophobicContact CB-CE 4.48Å; W249-M263 HydrophobicContact CB-SD 4.02Å; F253-M263 HydrophobicContact CD2-CE 3.89Å; F253-M263 HydrophobicContact CE2-CE 3.88Å; L259-M263 HydrophobicContact CD1-CE 3.95Å; L259-M263 HydrophobicContact CD1-CG 4.36Å; L259-M263 HydrophobicContact CD1-SD 4.47Å; L259-M263 HydrophobicContact CD2-CE 4Å; L259-M263 HydrophobicContact CG-CE 3.93Å; L259-M263 HydrophobicContact CG-CG 4.43Å; L259-M263 HydrophobicContact CG-SD 4.08Å; L259-M263 WeakPolarHBondContact O-CB 3.42Å; L259-M263 WeakPolarHBondContact O-CG 3.42Å; L259-M263 PolarHBondContact O-N 3.49Å; E260-M263 PolarHBondContact O-N 3.48Å; M263-L265 PolarHBondContact O-N 3.13Å; M263-N266 PolarHBondContact O-N 3.48Å; M263-H268 HydrophobicContact CG-CB 4.17Å; M263-F313 HydrophobicContact CE-CB 3.8Å; M263-F313 HydrophobicContact CE-CD1 4.2Å; M263-F313 HydrophobicContact CE-CG 4.13Å
264L95.7Very high96.4Very high58 Ų5846.5 Ų46.530%0.30424%0.241SC..Hα-helixtrans-62.4-33.4175.7-79171000112R242 V246 E260 K261 N266R242-L264 PolarHBondContact NH1-O 2.9Å; R242-L264 PolarHBondContact NH2-O 3.09Å; V246-L264 HydrophobicContact CB-CD2 3.93Å; V246-L264 HydrophobicContact CB-CG 4.29Å; V246-L264 HydrophobicContact CG1-CD2 3.92Å; V246-L264 HydrophobicContact CG1-CG 3.7Å; V246-L264 HydrophobicContact CG2-CD2 4.17Å; E260-L264 HydrophobicContact CG-CD1 4.35Å; E260-L264 WeakPolarHBondContact O-CB 3.32Å; E260-L264 WeakPolarHBondContact O-CG 3.48Å; E260-L264 PolarHBondContact O-N 3.47Å; K261-L264 PolarHBondContact O-N 3.02Å; L264-N266 VanDerWaalsContact C-N 3.33Å
265L96.4Very high96.3Very high96 Ų9651.4 Ų51.450%0.50326%0.263SS..THydrogen-bonded Turntrans-84.9-5.2175.7-65.7173.2000113.6K261 A262 M263 Q267K261-L265 HydrophobicContact CG-CD1 4.39Å; K261-L265 WeakPolarHBondContact O-CG 3.4Å; K261-L265 PolarHBondContact O-N 3.45Å; K261-L265 VanDerWaalsContact O-N 3.16Å; A262-L265 CarbonylContact O-C 3.56Å; A262-L265 PolarHBondContact O-N 3.23Å; M263-L265 PolarHBondContact O-N 3.13Å; L265-Q267 VanDerWaalsContact C-N 3.33Å; L265-Q267 HydrophobicContact CB-CB 4.2Å; L265-Q267 HydrophobicContact CB-CG 4.18Å; L265-Q267 WeakPolarHBondContact O-CG 3.47Å
266N96Very high96.4Very high14 Ų1449.4 Ų49.48%0.07525%0.25CC..THydrogen-bonded Turntrans54.547.2-172-154.932.2000112.1D225 T226 N227 A262 M263 L264 P299D225-N266 PolarHBondContact OD1-ND2 3.25Å; D225-N266 PolarHBondContact OD1-OD1 3.42Å; T226-N266 PolarHBondContact N-OD1 2.96Å; T226-N266 PolarHBondContact OG1-OD1 3.35Å; N227-N266 HydrophobicContact CB-CB 4.1Å; N227-N266 VanDerWaalsContact CB-ND2 3.28Å; N227-N266 WeakPolarHBondContact CB-ND2 3.32Å; A262-N266 PolarHBondContact O-N 3.32Å; M263-N266 PolarHBondContact O-N 3.48Å; L264-N266 VanDerWaalsContact C-N 3.33Å; N266-P299 WeakPolarHBondContact O-CB 3.23Å
267Q96.7Very high96.4Very high82 Ų8247.4 Ų47.438%0.38324%0.239SC..  trans-135.739.1-171.8-73.8174.228.300112A262 L265 T300 G302A262-Q267 PolarHBondContact O-N 2.76Å; L265-Q267 VanDerWaalsContact C-N 3.33Å; L265-Q267 HydrophobicContact CB-CB 4.2Å; L265-Q267 HydrophobicContact CB-CG 4.18Å; L265-Q267 WeakPolarHBondContact O-CG 3.47Å; Q267-T300 WeakPolarHBondContact CA-O 3.39Å; Q267-T300 HydrophobicContact CG-CG2 4.45Å; Q267-G302 WeakPolarHBondContact O-CA 3.27Å
268H96.6Very high96.4Very high1 Ų148 Ų481%0.00525%0.246CC..  trans-114.8-20.4-176.458.3-66.7000113.8A223 L224 L259 A262 M263 P270 F313A223-H268 PolarHBondContact O-NE2 3.32Å; L224-H268 PolarHBondContact O-CE1 3.13Å; L224-H268 VanDerWaalsContact O-CE1 3.26Å; L224-H268 PolarHBondContact O-NE2 3.03Å; L259-H268 HydrophobicContact CD1-CB 4.3Å; A262-H268 HydrophobicContact CB-CB 3.82Å; M263-H268 HydrophobicContact CG-CB 4.17Å; H268-P270 WeakPolarHBondContact O-CD 3.31Å; H268-F313 AromaticContact CD2-CD2 3.78Å; H268-F313 AromaticContact CD2-CE2 4Å; H268-F313 WeakPolarHBondContact O-CE2 3.3Å; H268-F313 WeakPolarHBondContact O-CZ 3.44Å
269V97.2Very high96.5Very high6 Ų647.7 Ų47.74%0.03624%0.236CC..SBendtrans-81.1118.6176.6-1780000109.7L224 P301 G302L224-V269 HydrophobicContact CB-CG2 4.11Å; L224-V269 HydrophobicContact CD2-CG2 3.8Å; L224-V269 WeakPolarHBondContact O-CG2 3.27Å; V269-P301 CarbonylContact O-C 3.56Å; V269-P301 WeakPolarHBondContact O-CA 3.42Å; V269-G302 PolarHBondContact O-N 3.16Å
270P96.5Very high96.4Very high1 Ų147.7 Ų47.71%0.00624%0.236CC..  trans-78.9165.8-177.537.6-41.4000111.9H268 E272 S273 S274 A307H268-P270 WeakPolarHBondContact O-CD 3.31Å; P270-E272 VanDerWaalsContact C-N 3.32Å; P270-E272 HydrophobicContact CB-CG 4.34Å; P270-E272 WeakPolarHBondContact CB-OE1 3.48Å; P270-E272 HydrophobicContact CG-CG 4.06Å; P270-E272 PolarHBondContact O-N 3.43Å; P270-S273 PolarHBondContact O-N 3.48Å; P270-S273 VanDerWaalsContact O-N 3.08Å; P270-S274 PolarHBondContact O-N 3.12Å; P270-A307 HydrophobicContact CG-CB 3.62Å
271M95.7Very high96.4Very high120 Ų12049.1 Ų49.159%0.59124%0.244SC*.G310 helixtrans-60.5-40-174.1-176.16481.700112.6S273 S274 P301M271-S273 PolarHBondContact O-N 2.97Å; M271-S274 WeakPolarHBondContact O-CB 3.49Å; M271-S274 PolarHBondContact O-N 2.76Å; M271-S274 PolarHBondContact O-OG 2.75Å; M271-P301 HydrophobicContact CB-CB 4.34Å; M271-P301 HydrophobicContact CE-CB 4.34Å; M271-P301 HydrophobicContact CE-CG 3.56Å; M271-P301 HydrophobicContact SD-CG 4.16Å
272E95.9Very high96.3Very high104 Ų10443 Ų4349%0.48622%0.217SC..G310 helixtrans-60.2-26.1177.457.9-89.6-152.500113.3P270 H275 S304P270-E272 VanDerWaalsContact C-N 3.32Å; P270-E272 HydrophobicContact CB-CG 4.34Å; P270-E272 WeakPolarHBondContact CB-OE1 3.48Å; P270-E272 HydrophobicContact CG-CG 4.06Å; P270-E272 PolarHBondContact O-N 3.43Å; E272-H275 PolarHBondContact O-CE1 3.1Å; E272-H275 PolarHBondContact O-ND1 3.39Å; E272-S304 WeakPolarHBondContact OE1-CB 3.15Å; E272-S304 PolarHBondContact OE1-OG 2.94Å; E272-S304 PolarHBondContact OE2-OG 3.26Å
273S96.3Very high96.2Very high10 Ų1043.3 Ų43.37%0.0722%0.218CC..G310 helixtrans-96.13177.3-59.20000113.4P270 M271 H275 L276P270-S273 PolarHBondContact O-N 3.48Å; P270-S273 VanDerWaalsContact O-N 3.08Å; M271-S273 PolarHBondContact O-N 2.97Å; S273-H275 PolarHBondContact O-N 3.17Å; S273-H275 VanDerWaalsContact O-N 3.1Å; S273-L276 WeakPolarHBondContact O-CB 3.27Å; S273-L276 PolarHBondContact O-N 2.97Å
274S94.8Very high96.1Very high45 Ų4546.7 Ų46.732%0.31524%0.242SC..G310 helixtrans-58.7-25.9-178.4610000113.8P270 M271 L276 L277P270-S274 PolarHBondContact O-N 3.12Å; M271-S274 WeakPolarHBondContact O-CB 3.49Å; M271-S274 PolarHBondContact O-N 2.76Å; M271-S274 PolarHBondContact O-OG 2.75Å; S274-L276 PolarHBondContact O-N 3.17Å; S274-L277 VanDerWaalsContact O-CB 3.29Å; S274-L277 WeakPolarHBondContact O-CB 3.36Å; S274-L277 PolarHBondContact O-N 2.8Å
275H95.7Very high96.1Very high112 Ų11244.6 Ų44.652%0.51923%0.231SC..G310 helixtrans-60.6-23.1174.468.1-85.4000113.1E272 S273 L277 Q278E272-H275 PolarHBondContact O-CE1 3.1Å; E272-H275 PolarHBondContact O-ND1 3.39Å; S273-H275 PolarHBondContact O-N 3.17Å; S273-H275 VanDerWaalsContact O-N 3.1Å; H275-L277 VanDerWaalsContact C-N 3.32Å; H275-Q278 VanDerWaalsContact O-CG 3.27Å; H275-Q278 WeakPolarHBondContact O-CG 3.35Å; H275-Q278 PolarHBondContact O-NE2 3.35Å
276L97Very high96.2Very high25 Ų2540.3 Ų40.313%0.13121%0.208CC..G310 helixtrans-74.9-21.3175.8-59.5175.5000112.6L224 S273 S274 Q278 F279 I314 L322L224-L276 HydrophobicContact CD1-CB 3.62Å; S273-L276 WeakPolarHBondContact O-CB 3.27Å; S273-L276 PolarHBondContact O-N 2.97Å; S274-L276 PolarHBondContact O-N 3.17Å; L276-Q278 PolarHBondContact O-N 3.22Å; L276-Q278 VanDerWaalsContact O-N 3.11Å; L276-F279 HydrophobicContact CB-CD2 4.49Å; L276-F279 HydrophobicContact CD2-CD2 4.29Å; L276-F279 HydrophobicContact CD2-CE2 4.03Å; L276-F279 WeakPolarHBondContact O-CB 3.47Å; L276-F279 WeakPolarHBondContact O-CD2 3.28Å; L276-F279 PolarHBondContact O-N 3.37Å; L276-I314 HydrophobicContact CD1-CB 3.83Å; L276-I314 HydrophobicContact CD1-CG2 4.07Å; L276-L322 HydrophobicContact CD1-CD1 4.43Å
277L96.6Very high96.2Very high8 Ų842.5 Ų42.54%0.04222%0.223CC..G310 helixtrans-64.6-18.3-178.3-64.7171000113L224 S274 H275 F279 V280 N281 Y296 N298 P299L224-L277 HydrophobicContact CB-CD2 4.18Å; S274-L277 VanDerWaalsContact O-CB 3.29Å; S274-L277 WeakPolarHBondContact O-CB 3.36Å; S274-L277 PolarHBondContact O-N 2.8Å; H275-L277 VanDerWaalsContact C-N 3.32Å; L277-F279 PolarHBondContact O-N 3.22Å; L277-V280 HydrophobicContact CD2-CG2 4.1Å; L277-V280 WeakPolarHBondContact O-CG2 3.25Å; L277-V280 PolarHBondContact O-N 3.01Å; L277-N281 PolarHBondContact O-N 2.59Å; L277-Y296 HydrophobicContact CB-CE1 4.38Å; L277-N298 HydrophobicContact CD1-CB 3.9Å; L277-P299 HydrophobicContact CD2-CG 4.08Å
278Q95.5Very high96.1Very high124 Ų12445.4 Ų45.458%0.57924%0.237SC*.G310 helixtrans-59.5-30.1172.774.7-174.3-52.700112.5H275 L276 V280H275-Q278 VanDerWaalsContact O-CG 3.27Å; H275-Q278 WeakPolarHBondContact O-CG 3.35Å; H275-Q278 PolarHBondContact O-NE2 3.35Å; L276-Q278 PolarHBondContact O-N 3.22Å; L276-Q278 VanDerWaalsContact O-N 3.11Å; Q278-V280 VanDerWaalsContact C-N 3.3Å; Q278-V280 PolarHBondContact O-N 3.41Å
279F96.8Very high96Very high27 Ų2752.8 Ų52.812%0.11827%0.265CS..G310 helixtrans-78.4-15.4-178.1-60.6-54.4000113.6L276 L277 L285 L322 R354L276-F279 HydrophobicContact CB-CD2 4.49Å; L276-F279 HydrophobicContact CD2-CD2 4.29Å; L276-F279 HydrophobicContact CD2-CE2 4.03Å; L276-F279 WeakPolarHBondContact O-CB 3.47Å; L276-F279 WeakPolarHBondContact O-CD2 3.28Å; L276-F279 PolarHBondContact O-N 3.37Å; L277-F279 PolarHBondContact O-N 3.22Å; F279-L285 VanDerWaalsContact O-CD1 3.29Å; F279-L285 WeakPolarHBondContact O-CD1 3.32Å; F279-L322 HydrophobicContact CB-CD2 3.81Å; F279-L322 HydrophobicContact CD2-CB 4.36Å; F279-L322 HydrophobicContact CD2-CD2 4.18Å; F279-L322 HydrophobicContact CG-CD2 4.44Å; F279-R354 VanDerWaalsContact CD1-CZ 3.41Å
280V96.1Very high95.9Very high0 Ų053.1 Ų53.10%027%0.265CS..G310 helixtrans-117.216.7178.4-57.70000111.9Q222 L224 D225 L277 Q278 W282 L321 L322Q222-V280 HydrophobicContact CB-CG1 3.77Å; Q222-V280 HydrophobicContact CG-CG1 3.72Å; L224-V280 HydrophobicContact CB-CG1 4.49Å; L224-V280 HydrophobicContact CB-CG2 4.25Å; L224-V280 HydrophobicContact CD1-CG1 4.44Å; L224-V280 HydrophobicContact CD1-CG2 4.48Å; D225-V280 HydrophobicContact CB-CG2 4.24Å; L277-V280 HydrophobicContact CD2-CG2 4.1Å; L277-V280 WeakPolarHBondContact O-CG2 3.25Å; L277-V280 PolarHBondContact O-N 3.01Å; Q278-V280 VanDerWaalsContact C-N 3.3Å; Q278-V280 PolarHBondContact O-N 3.41Å; V280-W282 VanDerWaalsContact C-N 3.31Å; V280-W282 PolarHBondContact O-N 3.37Å; V280-L321 HydrophobicContact CG1-CD2 4.02Å; V280-L322 HydrophobicContact CG1-CD2 4.18Å
281N96.4Very high95.8Very high42 Ų4255.4 Ų55.423%0.22528%0.275CS..  trans-68.289.9177.7-176.6-29.6000109.8L277 S283 S284 L285 Y296L277-N281 PolarHBondContact O-N 2.59Å; N281-S283 PolarHBondContact O-N 3.14Å; N281-S283 PolarHBondContact OD1-N 2.95Å; N281-S283 PolarHBondContact OD1-OG 2.74Å; N281-S284 PolarHBondContact O-N 3.1Å; N281-S284 VanDerWaalsContact O-N 3.16Å; N281-S284 PolarHBondContact O-OG 3.21Å; N281-S284 VanDerWaalsContact O-OG 3.05Å; N281-S284 PolarHBondContact OD1-N 3.1Å; N281-L285 WeakPolarHBondContact O-CB 3.45Å; N281-L285 WeakPolarHBondContact O-CG 3.22Å; N281-L285 PolarHBondContact O-N 3.03Å; N281-L285 VanDerWaalsContact O-N 3.12Å; N281-Y296 HydrophobicContact CB-CD1 4.09Å; N281-Y296 HydrophobicContact CB-CE1 4.49Å; N281-Y296 HydrophobicContact CB-CG 4.27Å; N281-Y296 WeakPolarHBondContact OD1-CB 3.3Å
282W95.5Very high95.4Very high15 Ų1555 Ų556%0.05727%0.27CS..Hα-helixtrans-66.2-20.5-17557-108.5000112.8P229 V280 S284 L286 K291 K292 S293 Y296 M350P229-W282 HydrophobicContact CG-CD2 3.85Å; P229-W282 HydrophobicContact CG-CE3 3.97Å; P229-W282 HydrophobicContact CG-CG 4.22Å; P229-W282 HydrophobicContact CG-CZ3 4.48Å; V280-W282 VanDerWaalsContact C-N 3.31Å; V280-W282 PolarHBondContact O-N 3.37Å; W282-S284 VanDerWaalsContact C-N 3.29Å; W282-S284 PolarHBondContact O-N 2.81Å; W282-L286 HydrophobicContact CB-CD1 3.65Å; W282-L286 HydrophobicContact CB-CG 3.79Å; W282-L286 HydrophobicContact CG-CD1 4.44Å; W282-L286 VanDerWaalsContact O-CB 3.26Å; W282-L286 WeakPolarHBondContact O-CB 3.47Å; W282-L286 WeakPolarHBondContact O-CG 3.35Å; W282-L286 PolarHBondContact O-N 3.08Å; W282-K291 HydrophobicContact CZ3-CB 4.31Å; W282-K292 HydrophobicContact CH2-CB 4.42Å; W282-S293 VanDerWaalsContact CZ3-O 3.3Å; W282-S293 WeakPolarHBondContact CZ3-O 3.45Å; W282-Y296 AromaticContact CD1-CD2 3.33Å; W282-Y296 AromaticContact CD1-CE2 3.33Å; W282-Y296 AromaticContact CD2-CD2 3.98Å; W282-Y296 HydrophobicContact CD2-CD2 3.98Å; W282-Y296 AromaticContact CE2-CD2 3.56Å; W282-Y296 AromaticContact CG-CD2 3.82Å; W282-Y296 HydrophobicContact CG-CD2 3.82Å; W282-Y296 HydrophobicContact CG-CE2 4.19Å; W282-Y296 HydrophobicContact CZ2-CD2 4.19Å; W282-Y296 AromaticContact NE1-CD2 3.2Å; W282-Y296 AromaticContact NE1-CE2 3.34Å; W282-Y296 VanDerWaalsContact NE1-CE2 3.34Å; W282-M350 HydrophobicContact CB-SD 3.98Å
283S95Very high94.9Very high19 Ų1952.4 Ų52.413%0.13326%0.264CS..Hα-helixtrans-72.8-22.6177.678.70000112.7N281 K291 Y296N281-S283 PolarHBondContact O-N 3.14Å; N281-S283 PolarHBondContact OD1-N 2.95Å; N281-S283 PolarHBondContact OD1-OG 2.74Å; S283-K291 WeakPolarHBondContact O-CE 3.29Å; S283-K291 PolarHBondContact O-NZ 2.79Å; S283-Y296 WeakPolarHBondContact OG-CB 3.43Å; S283-Y296 PolarHBondContact OG-N 3.24Å; S283-Y296 VanDerWaalsContact OG-N 3.09Å
284S94.8Very high94.3Very high71 Ų7157.5 Ų57.550%0.49730%0.296SS..Hα-helixtrans-97.7-25.9172.867.30000113.4N281 W282N281-S284 PolarHBondContact O-N 3.1Å; N281-S284 VanDerWaalsContact O-N 3.16Å; N281-S284 PolarHBondContact O-OG 3.21Å; N281-S284 VanDerWaalsContact O-OG 3.05Å; N281-S284 PolarHBondContact OD1-N 3.1Å; W282-S284 VanDerWaalsContact C-N 3.29Å; W282-S284 PolarHBondContact O-N 2.81Å
285L96.8Very high94Very high15 Ų1560.1 Ų60.18%0.07931%0.311CS..Hα-helixtrans-99.4-26.5-171.5-65.9175.6000114.6F279 N281 M350 K353 R354F279-L285 VanDerWaalsContact O-CD1 3.29Å; F279-L285 WeakPolarHBondContact O-CD1 3.32Å; N281-L285 WeakPolarHBondContact O-CB 3.45Å; N281-L285 WeakPolarHBondContact O-CG 3.22Å; N281-L285 PolarHBondContact O-N 3.03Å; N281-L285 VanDerWaalsContact O-N 3.12Å; L285-M350 HydrophobicContact CB-CB 4Å; L285-M350 HydrophobicContact CB-CG 3.61Å; L285-M350 HydrophobicContact CB-SD 4.26Å; L285-M350 HydrophobicContact CD1-CB 4.05Å; L285-M350 HydrophobicContact CD1-CG 4.13Å; L285-M350 HydrophobicContact CD1-SD 4.09Å; L285-K353 HydrophobicContact CD2-CB 4.4Å; L285-K353 HydrophobicContact CD2-CG 4.01Å; L285-K353 WeakPolarHBondContact O-CB 3.42Å; L285-R354 HydrophobicContact CD1-CG 4.21Å; L285-R354 HydrophobicContact CD2-CG 3.77Å
286L97.6Very high93.9Very high6 Ų655.5 Ų55.53%0.03129%0.288CS..SBendtrans-84150178.9-63.7-176.2000112.7P229 W282 K291 D346 L349 M350P229-L286 HydrophobicContact CG-CD1 4.04Å; W282-L286 HydrophobicContact CB-CD1 3.65Å; W282-L286 HydrophobicContact CB-CG 3.79Å; W282-L286 HydrophobicContact CG-CD1 4.44Å; W282-L286 VanDerWaalsContact O-CB 3.26Å; W282-L286 WeakPolarHBondContact O-CB 3.47Å; W282-L286 WeakPolarHBondContact O-CG 3.35Å; W282-L286 PolarHBondContact O-N 3.08Å; L286-K291 HydrophobicContact CB-CG 4.3Å; L286-K291 WeakPolarHBondContact O-CE 3.1Å; L286-D346 HydrophobicContact CD1-CB 4.08Å; L286-D346 WeakPolarHBondContact CD1-OD2 3.45Å; L286-D346 HydrophobicContact CD2-CB 3.89Å; L286-L349 HydrophobicContact CD2-CB 3.71Å; L286-L349 HydrophobicContact CD2-CD1 4.27Å; L286-M350 HydrophobicContact CD2-CG 3.7Å; L286-M350 HydrophobicContact CG-CG 4.27Å
287P95.9Very high93.7Very high60 Ų6062.7 Ų62.739%0.3932%0.319SS..  trans-56.9147.4163-2232000112R289 Y290P287-R289 PolarHBondContact O-N 3.17Å; P287-R289 VanDerWaalsContact O-N 3.07Å; P287-Y290 HydrophobicContact CB-CD2 4.15Å; P287-Y290 HydrophobicContact CG-CD2 4.1Å; P287-Y290 HydrophobicContact CG-CE2 4.47Å; P287-Y290 PolarHBondContact O-N 2.76Å
288E95Very high93.5Very high143 Ų14366.4 Ų66.467%0.66834%0.339SS*.G310 helixtrans-49.8-39.7-177.5-69-55.6136.800113.7Y290 K291E288-Y290 PolarHBondContact O-N 3.05Å; E288-K291 PolarHBondContact O-N 2.87Å; E288-K291 VanDerWaalsContact O-N 3.17Å; E288-K291 WeakPolarHBondContact OE1-CE 3.43Å; E288-K291 IonicContact OE1-NZ 2.76Å; E288-K291 PolarHBondContact OE1-NZ 2.96Å; E288-K291 IonicContact OE2-NZ 3.75Å
289R95Very high93.3Very high156 Ų15661.2 Ų61.259%0.58932%0.316SS*.G310 helixtrans-61.1-17.4-178.674.5179.4-175176.45.3115P287 H366 E368P287-R289 PolarHBondContact O-N 3.17Å; P287-R289 VanDerWaalsContact O-N 3.07Å; R289-H366 PolarHBondContact NH2-CD2 3.21Å; R289-E368 IonicContact CZ-OE1 3.8Å; R289-E368 IonicContact NH1-OE1 2.77Å; R289-E368 PolarHBondContact NH1-OE1 3.06Å; R289-E368 IonicContact NH2-OE1 3.36Å; R289-E368 PolarHBondContact NH2-OE1 3.04Å; R289-E368 IonicContact NH2-OE2 2.78Å
290Y95.3Very high93.2Very high12 Ų1264.1 Ų64.15%0.04734%0.336CS..G310 helixtrans-108.9-5.3-178.6-61.4-58.3000113.7P229 P287 E288 Q340 L349 H366P229-Y290 WeakPolarHBondContact CB-O 3.49Å; P287-Y290 HydrophobicContact CB-CD2 4.15Å; P287-Y290 HydrophobicContact CG-CD2 4.1Å; P287-Y290 HydrophobicContact CG-CE2 4.47Å; P287-Y290 PolarHBondContact O-N 2.76Å; E288-Y290 PolarHBondContact O-N 3.05Å; Y290-Q340 PolarHBondContact OH-OE1 3.24Å; Y290-L349 HydrophobicContact CD2-CD1 3.47Å; Y290-L349 VanDerWaalsContact CD2-CD1 3.47Å; Y290-L349 HydrophobicContact CE2-CD1 3.5Å; Y290-L349 VanDerWaalsContact CE2-CD1 3.5Å; Y290-L349 HydrophobicContact CG-CD1 4.27Å; Y290-H366 PolarHBondContact OH-CD2 3.47Å; Y290-H366 PolarHBondContact OH-NE2 3.36Å
291K93.5Very high93.2Very high49 Ų4967.1 Ų67.121%0.21336%0.355CS..  trans-75.2131.1179.1-61.9-177.4-171.4-179.10109.9W282 S283 L286 E288W282-K291 HydrophobicContact CZ3-CB 4.31Å; S283-K291 WeakPolarHBondContact O-CE 3.29Å; S283-K291 PolarHBondContact O-NZ 2.79Å; L286-K291 HydrophobicContact CB-CG 4.3Å; L286-K291 WeakPolarHBondContact O-CE 3.1Å; E288-K291 PolarHBondContact O-N 2.87Å; E288-K291 VanDerWaalsContact O-N 3.17Å; E288-K291 WeakPolarHBondContact OE1-CE 3.43Å; E288-K291 IonicContact OE1-NZ 2.76Å; E288-K291 PolarHBondContact OE1-NZ 2.96Å; E288-K291 IonicContact OE2-NZ 3.75Å
292K87.1Confident93Very high111 Ų11166 Ų6648%0.48335%0.354SS..SBendtrans-83.8-23.2173.6-69.3-72.6179.2-166.90113.4P229 E233 W282P229-K292 HydrophobicContact CB-CG 3.71Å; P229-K292 HydrophobicContact CG-CB 4.45Å; P229-K292 HydrophobicContact CG-CG 3.86Å; E233-K292 WeakPolarHBondContact OE1-CE 3.36Å; E233-K292 IonicContact OE1-NZ 3.92Å; E233-K292 PolarHBondContact OE1-NZ 3.26Å; W282-K292 HydrophobicContact CH2-CB 4.42Å
293S86.7Confident92.8Very high51 Ų5167.9 Ų67.936%0.35737%0.369SS..SBendtrans-153.7153.4-179.2150.80000108.8W282 V295W282-S293 VanDerWaalsContact CZ3-O 3.3Å; W282-S293 WeakPolarHBondContact CZ3-O 3.45Å; S293-V295 PolarHBondContact O-N 3.33Å; S293-V295 PolarHBondContact OG-N 2.53Å; S293-V295 VanDerWaalsContact OG-N 3.07Å; S293-V295 PolarHBondContact OG-O 3.37Å
294P84.2Confident92.8Very high116 Ų11669 Ų6975%0.75338%0.377SS*.SBendtrans-63.9-20.4174.126.7-35.3000113.1
295V88.6Confident92.8Very high101 Ų10172.6 Ų72.661%0.61239%0.386SS*.SBendtrans-120.2128.7-176.4-177.30000110.2S293S293-V295 PolarHBondContact O-N 3.33Å; S293-V295 PolarHBondContact OG-N 2.53Å; S293-V295 VanDerWaalsContact OG-N 3.07Å; S293-V295 PolarHBondContact OG-O 3.37Å
296Y92Very high92.7Very high14 Ų1473.1 Ų73.16%0.05539%0.389CS..  trans-69.2125.9168.3176.2-110.9000110.6D225 L277 N281 W282 S283 N298D225-Y296 WeakPolarHBondContact OD2-CE2 3.27Å; L277-Y296 HydrophobicContact CB-CE1 4.38Å; N281-Y296 HydrophobicContact CB-CD1 4.09Å; N281-Y296 HydrophobicContact CB-CE1 4.49Å; N281-Y296 HydrophobicContact CB-CG 4.27Å; N281-Y296 WeakPolarHBondContact OD1-CB 3.3Å; W282-Y296 AromaticContact CD1-CD2 3.33Å; W282-Y296 AromaticContact CD1-CE2 3.33Å; W282-Y296 AromaticContact CD2-CD2 3.98Å; W282-Y296 HydrophobicContact CD2-CD2 3.98Å; W282-Y296 AromaticContact CE2-CD2 3.56Å; W282-Y296 AromaticContact CG-CD2 3.82Å; W282-Y296 HydrophobicContact CG-CD2 3.82Å; W282-Y296 HydrophobicContact CG-CE2 4.19Å; W282-Y296 HydrophobicContact CZ2-CD2 4.19Å; W282-Y296 AromaticContact NE1-CD2 3.2Å; W282-Y296 AromaticContact NE1-CE2 3.34Å; W282-Y296 VanDerWaalsContact NE1-CE2 3.34Å; S283-Y296 WeakPolarHBondContact OG-CB 3.43Å; S283-Y296 PolarHBondContact OG-N 3.24Å; S283-Y296 VanDerWaalsContact OG-N 3.09Å; Y296-N298 VanDerWaalsContact CD1-OD1 3.28Å; Y296-N298 WeakPolarHBondContact CD1-OD1 3.29Å; Y296-N298 WeakPolarHBondContact CE1-OD1 3.41Å
297K92.6Very high92.5Very high176 Ų17673.2 Ų73.277%0.76539%0.391SS*.  trans-100.9115.6173.8-175-179.4178.5-177.20108.7
298N92.3Very high92.5Very high87 Ų8777.5 Ų77.547%0.46541%0.405SS..PPolyproline II helixtrans-55.3143.4175.8-70.82.3000111.1L277 Y296L277-N298 HydrophobicContact CD1-CB 3.9Å; Y296-N298 VanDerWaalsContact CD1-OD1 3.28Å; Y296-N298 WeakPolarHBondContact CD1-OD1 3.29Å; Y296-N298 WeakPolarHBondContact CE1-OD1 3.41Å
299P93.3Very high92.6Very high15 Ų1576.7 Ų76.710%0.09740%0.399CS..PPolyproline II helixtrans-52.8149.7166.7-24.333.3000111.4D225 N266 L277D225-P299 HydrophobicContact CB-CG 4.27Å; N266-P299 WeakPolarHBondContact O-CB 3.23Å; L277-P299 HydrophobicContact CD2-CG 4.08Å
300T94Very high92.6Very high87 Ų8770.6 Ų70.653%0.53438%0.377SS..PPolyproline II helixtrans-66.5129.5171.9-62.50000108.3Q267 G302Q267-T300 WeakPolarHBondContact CA-O 3.39Å; Q267-T300 HydrophobicContact CG-CG2 4.45Å; T300-G302 PolarHBondContact O-N 3.04Å
301P95.2Very high92.6Very high63 Ų6373.4 Ų73.441%0.40940%0.396SS..PPolyproline II helixtrans-55.8135.9-178.5-26.633.8000113V269 M271V269-P301 CarbonylContact O-C 3.56Å; V269-P301 WeakPolarHBondContact O-CA 3.42Å; M271-P301 HydrophobicContact CB-CB 4.34Å; M271-P301 HydrophobicContact CE-CB 4.34Å; M271-P301 HydrophobicContact CE-CG 3.56Å; M271-P301 HydrophobicContact SD-CG 4.16Å
302G93.5Very high92.8Very high19 Ų1971.1 Ų71.120%0.19639%0.387CS..  trans-88.3-177.5174.100000113.9Q267 V269 T300Q267-G302 WeakPolarHBondContact O-CA 3.27Å; V269-G302 PolarHBondContact O-N 3.16Å; T300-G302 PolarHBondContact O-N 3.04Å
303S90.9Very high93.2Very high55 Ų5565.9 Ų65.939%0.38536%0.364SS..  trans-72.5133.6173.8178.40000111.5E305 L306S303-E305 PolarHBondContact O-N 3.35Å; S303-E305 WeakPolarHBondContact OG-CB 3.5Å; S303-E305 WeakPolarHBondContact OG-CG 3.25Å; S303-E305 PolarHBondContact OG-N 2.94Å; S303-E305 VanDerWaalsContact OG-N 3.15Å; S303-L306 PolarHBondContact O-N 3.16Å
304S94.8Very high93.7Very high42 Ų4265.5 Ų65.529%0.29436%0.358SS..Hα-helixtrans-56.9-27.8169.7-57.10000112.7E272 L306 A307 Q308E272-S304 WeakPolarHBondContact OE1-CB 3.15Å; E272-S304 PolarHBondContact OE1-OG 2.94Å; E272-S304 PolarHBondContact OE2-OG 3.26Å; S304-L306 VanDerWaalsContact C-N 3.31Å; S304-L306 PolarHBondContact O-N 3.39Å; S304-A307 PolarHBondContact O-N 3.02Å; S304-Q308 WeakPolarHBondContact O-CB 3.33Å; S304-Q308 VanDerWaalsContact O-CG 3.29Å; S304-Q308 WeakPolarHBondContact O-CG 3.36Å; S304-Q308 PolarHBondContact O-N 3.26Å
305E95.7Very high94.4Very high146 Ų14662.4 Ų62.468%0.68234%0.335SS*.Hα-helixtrans-60.8-39.3-179.5-62.7173.6167.700112.1S303 Q308 K309S303-E305 PolarHBondContact O-N 3.35Å; S303-E305 WeakPolarHBondContact OG-CB 3.5Å; S303-E305 WeakPolarHBondContact OG-CG 3.25Å; S303-E305 PolarHBondContact OG-N 2.94Å; S303-E305 VanDerWaalsContact OG-N 3.15Å; E305-Q308 PolarHBondContact O-N 3.45Å; E305-K309 VanDerWaalsContact O-CB 3.27Å; E305-K309 WeakPolarHBondContact O-CB 3.29Å; E305-K309 PolarHBondContact O-N 2.98Å
306L94.3Very high94.8Very high27 Ų2760.1 Ų60.114%0.14132%0.321CS..Hα-helixtrans-68.1-42.1178.9-73.4175000111.4L259 A262 S303 S304 K309 Y310L259-L306 HydrophobicContact CB-CD2 4.41Å; L259-L306 HydrophobicContact CD1-CB 4.46Å; L259-L306 HydrophobicContact CD1-CD1 4.47Å; A262-L306 HydrophobicContact CB-CD1 3.52Å; S303-L306 PolarHBondContact O-N 3.16Å; S304-L306 VanDerWaalsContact C-N 3.31Å; S304-L306 PolarHBondContact O-N 3.39Å; L306-K309 PolarHBondContact O-N 3.29Å; L306-Y310 HydrophobicContact CD2-CD2 4.32Å; L306-Y310 HydrophobicContact CD2-CE2 4.42Å; L306-Y310 WeakPolarHBondContact O-CA 3.49Å; L306-Y310 WeakPolarHBondContact O-CB 3.48Å; L306-Y310 PolarHBondContact O-N 3.46Å
307A93.7Very high95.1Very high8 Ų863 Ų637%0.06633%0.334CS..Hα-helixtrans-68.1-34.9177.200000112.5P270 S304 Y310 P311 F313 I314P270-A307 HydrophobicContact CG-CB 3.62Å; S304-A307 PolarHBondContact O-N 3.02Å; A307-Y310 CarbonylContact O-C 3.58Å; A307-P311 WeakPolarHBondContact O-CA 3.36Å; A307-P311 WeakPolarHBondContact O-CB 3.4Å; A307-F313 HydrophobicContact CB-CE2 4.33Å; A307-F313 HydrophobicContact CB-CZ 3.73Å; A307-I314 HydrophobicContact CB-CD1 4.45Å
308Q95.6Very high95.4Very high149 Ų14954.6 Ų54.670%0.69630%0.297SS*.Hα-helixtrans-68.9-42174.7-72.7173.19.600111.9S304 E305S304-Q308 WeakPolarHBondContact O-CB 3.33Å; S304-Q308 VanDerWaalsContact O-CG 3.29Å; S304-Q308 WeakPolarHBondContact O-CG 3.36Å; S304-Q308 PolarHBondContact O-N 3.26Å; E305-Q308 PolarHBondContact O-N 3.45Å
309K95.6Very high95.7Very high126 Ų12650.5 Ų50.555%0.54828%0.275SS..Hα-helixtrans-73.9-36-179.8-163178177.1-158.70112D256 E305 L306D256-K309 IonicContact OD2-NZ 2.77Å; D256-K309 PolarHBondContact OD2-NZ 3.31Å; E305-K309 VanDerWaalsContact O-CB 3.27Å; E305-K309 WeakPolarHBondContact O-CB 3.29Å; E305-K309 PolarHBondContact O-N 2.98Å; L306-K309 PolarHBondContact O-N 3.29Å
310Y95.5Very high96Very high29 Ų2949.8 Ų49.811%0.11427%0.27CS..  trans-135.165.8-172.2-50.9-57.6000112T254 D256 L259 L306 A307 G312 F313T254-Y310 HydrophobicContact CG2-CD1 3.81Å; T254-Y310 HydrophobicContact CG2-CD2 3.88Å; T254-Y310 HydrophobicContact CG2-CE1 3.67Å; T254-Y310 HydrophobicContact CG2-CE2 3.73Å; T254-Y310 HydrophobicContact CG2-CG 3.9Å; T254-Y310 WeakPolarHBondContact OG1-CE1 3.26Å; T254-Y310 VanDerWaalsContact OG1-CZ 3.28Å; T254-Y310 PolarHBondContact OG1-OH 3.11Å; T254-Y310 VanDerWaalsContact OG1-OH 3.14Å; D256-Y310 HydrophobicContact CB-CE2 3.92Å; D256-Y310 WeakPolarHBondContact CB-OH 3.43Å; D256-Y310 PolarHBondContact OD2-OH 3.38Å; D256-Y310 VanDerWaalsContact OD2-OH 3.05Å; L259-Y310 HydrophobicContact CB-CD2 4.37Å; L259-Y310 HydrophobicContact CD2-CD2 4.23Å; L259-Y310 HydrophobicContact CD2-CG 4.33Å; L306-Y310 HydrophobicContact CD2-CD2 4.32Å; L306-Y310 HydrophobicContact CD2-CE2 4.42Å; L306-Y310 WeakPolarHBondContact O-CA 3.49Å; L306-Y310 WeakPolarHBondContact O-CB 3.48Å; L306-Y310 PolarHBondContact O-N 3.46Å; A307-Y310 CarbonylContact O-C 3.58Å; Y310-G312 PolarHBondContact O-N 2.89Å; Y310-F313 WeakPolarHBondContact O-CD1 3.28Å; Y310-F313 WeakPolarHBondContact O-CE1 3.44Å
311P96.2Very high96.2Very high70 Ų7045.6 Ų45.646%0.45525%0.245SC..G310 helixtrans-67.8-7.9-172.328.1-36.5000114.5A307 F313 I314 D315A307-P311 WeakPolarHBondContact O-CA 3.36Å; A307-P311 WeakPolarHBondContact O-CB 3.4Å; P311-F313 VanDerWaalsContact C-N 3.27Å; P311-F313 PolarHBondContact O-N 3.01Å; P311-I314 WeakPolarHBondContact O-CG1 3.25Å; P311-I314 PolarHBondContact O-N 3.07Å; P311-D315 PolarHBondContact O-N 3.44Å
312G97.2Very high96.3Very high2 Ų243.1 Ų43.12%0.02123%0.228CC..G310 helixtrans-56.9-35.4-175.200000113.9F253 Y310 I314 D315 A318F253-G312 VanDerWaalsContact CE1-CA 3.5Å; Y310-G312 PolarHBondContact O-N 2.89Å; G312-I314 PolarHBondContact O-N 3.49Å; G312-I314 VanDerWaalsContact O-N 3.15Å; G312-D315 PolarHBondContact O-N 3.38Å; G312-A318 VanDerWaalsContact O-CB 3.26Å; G312-A318 WeakPolarHBondContact O-CB 3.41Å
313F96.1Very high96.6Very high0 Ų042.2 Ų42.20%022%0.219CC..G310 helixtrans-70.4-10.5-179.464.1-98.9000114.3A223 L224 F253 L259 M263 H268 A307 Y310 P311 C319A223-F313 HydrophobicContact CB-CB 4.02Å; L224-F313 VanDerWaalsContact CD2-O 3.22Å; L224-F313 WeakPolarHBondContact CD2-O 3.41Å; F253-F313 HydrophobicContact CD2-CB 4.04Å; F253-F313 HydrophobicContact CE2-CB 3.51Å; F253-F313 HydrophobicContact CZ-CB 3.85Å; L259-F313 HydrophobicContact CD1-CD1 4.02Å; L259-F313 HydrophobicContact CD1-CE1 3.8Å; L259-F313 HydrophobicContact CD2-CD1 4.43Å; M263-F313 HydrophobicContact CE-CB 3.8Å; M263-F313 HydrophobicContact CE-CD1 4.2Å; M263-F313 HydrophobicContact CE-CG 4.13Å; H268-F313 AromaticContact CD2-CD2 3.78Å; H268-F313 AromaticContact CD2-CE2 4Å; H268-F313 WeakPolarHBondContact O-CE2 3.3Å; H268-F313 WeakPolarHBondContact O-CZ 3.44Å; A307-F313 HydrophobicContact CB-CE2 4.33Å; A307-F313 HydrophobicContact CB-CZ 3.73Å; Y310-F313 WeakPolarHBondContact O-CD1 3.28Å; Y310-F313 WeakPolarHBondContact O-CE1 3.44Å; P311-F313 VanDerWaalsContact C-N 3.27Å; P311-F313 PolarHBondContact O-N 3.01Å; F313-C319 PolarHBondContact O-SG 2.85Å; F313-C319 VanDerWaalsContact O-SG 3.4Å
314I96.8Very high96.9Very high43 Ų4343.8 Ų43.822%0.22122%0.223CC..G310 helixtrans-110.50.6170.858.1171.3000112.6L224 L276 A307 P311 G312L224-I314 HydrophobicContact CD2-CG2 3.82Å; L276-I314 HydrophobicContact CD1-CB 3.83Å; L276-I314 HydrophobicContact CD1-CG2 4.07Å; A307-I314 HydrophobicContact CB-CD1 4.45Å; P311-I314 WeakPolarHBondContact O-CG1 3.25Å; P311-I314 PolarHBondContact O-N 3.07Å; G312-I314 PolarHBondContact O-N 3.49Å; G312-I314 VanDerWaalsContact O-N 3.15Å
315D97.9Very high97Very high52 Ų5245.8 Ų45.828%0.27823%0.231SC..  trans-85.7130.9177.9-167.2-37.1000110.4F152 P311 G312 K317 A318 C319F152-D315 HydrophobicContact CE1-CB 4.21Å; F152-D315 HydrophobicContact CZ-CB 3.99Å; P311-D315 PolarHBondContact O-N 3.44Å; G312-D315 PolarHBondContact O-N 3.38Å; D315-K317 PolarHBondContact O-N 2.81Å; D315-K317 WeakPolarHBondContact OD1-CB 3.45Å; D315-K317 WeakPolarHBondContact OD1-CG 3.49Å; D315-K317 PolarHBondContact OD1-N 2.87Å; D315-A318 PolarHBondContact O-N 3.07Å; D315-C319 PolarHBondContact O-N 3.21Å
316V98Very high97Very high52 Ų5244 Ų4432%0.31523%0.226SC..THydrogen-bonded Turntrans-58.5-27.117767.80000113A318 C319 P320 A323V316-A318 VanDerWaalsContact C-N 3.28Å; V316-A318 PolarHBondContact O-N 3.39Å; V316-C319 CarbonylContact O-C 3.53Å; V316-C319 PolarHBondContact O-N 2.79Å; V316-P320 WeakPolarHBondContact O-CA 3.49Å; V316-P320 VanDerWaalsContact O-N 3.17Å; V316-A323 HydrophobicContact CG2-CB 3.75Å
317K98.4Very high97.2Very high75 Ų7543.8 Ų43.833%0.32622%0.224SC..THydrogen-bonded Turntrans-69.7-24.4177.4-65.1171.7-176.9165.20113.1F152 F156 A196 D315F152-K317 HydrophobicContact CE2-CB 4Å; F152-K317 HydrophobicContact CZ-CB 3.97Å; F156-K317 HydrophobicContact CD1-CB 4.32Å; F156-K317 HydrophobicContact CD1-CD 4.07Å; F156-K317 HydrophobicContact CD1-CG 4.41Å; F156-K317 HydrophobicContact CD2-CB 3.9Å; F156-K317 HydrophobicContact CD2-CG 4.38Å; F156-K317 HydrophobicContact CE1-CB 4.33Å; F156-K317 HydrophobicContact CE1-CD 3.65Å; F156-K317 HydrophobicContact CE1-CG 3.96Å; F156-K317 HydrophobicContact CE2-CB 3.88Å; F156-K317 HydrophobicContact CE2-CD 4.5Å; F156-K317 HydrophobicContact CE2-CG 3.9Å; F156-K317 HydrophobicContact CG-CB 4.12Å; F156-K317 HydrophobicContact CZ-CB 4.1Å; F156-K317 HydrophobicContact CZ-CD 3.88Å; F156-K317 HydrophobicContact CZ-CG 3.66Å; A196-K317 VanDerWaalsContact CB-O 3.26Å; A196-K317 WeakPolarHBondContact CB-O 3.42Å; D315-K317 PolarHBondContact O-N 2.81Å; D315-K317 WeakPolarHBondContact OD1-CB 3.45Å; D315-K317 WeakPolarHBondContact OD1-CG 3.49Å; D315-K317 PolarHBondContact OD1-N 2.87Å
318A98.6Very high97.4Very high0 Ų043.4 Ų43.40%022%0.221CC..THydrogen-bonded Turntrans-97.6-31170.700000111.9F152 N192 W249 Y252 F253 G312 D315 V316 P320F152-A318 HydrophobicContact CD2-CB 3.9Å; F152-A318 HydrophobicContact CE2-CB 3.67Å; F152-A318 HydrophobicContact CZ-CB 4.2Å; N192-A318 PolarHBondContact ND2-O 3.44Å; W249-A318 WeakPolarHBondContact CH2-O 3.02Å; Y252-A318 HydrophobicContact CE1-CB 3.87Å; F253-A318 HydrophobicContact CE1-CB 3.72Å; F253-A318 HydrophobicContact CZ-CB 4.01Å; G312-A318 VanDerWaalsContact O-CB 3.26Å; G312-A318 WeakPolarHBondContact O-CB 3.41Å; D315-A318 PolarHBondContact O-N 3.07Å; V316-A318 VanDerWaalsContact C-N 3.28Å; V316-A318 PolarHBondContact O-N 3.39Å; A318-P320 VanDerWaalsContact C-CD 3.43Å; A318-P320 VanDerWaalsContact O-CD 3.25Å; A318-P320 WeakPolarHBondContact O-CD 3.44Å
319C98.6Very high97.5Very high0 Ų041.8 Ų41.80%021%0.213CC..  trans-118.573.4-177.7-60.90000110.5L221 A223 F313 D315 V316 L321 L322L221-C319 CarbonylContact O-C 3.53Å; L221-C319 VanDerWaalsContact O-C 3.24Å; L221-C319 VanDerWaalsContact O-CA 3.27Å; L221-C319 WeakPolarHBondContact O-CA 3.34Å; A223-C319 PolarHBondContact N-SG 2.73Å; A223-C319 VanDerWaalsContact N-SG 3.38Å; F313-C319 PolarHBondContact O-SG 2.85Å; F313-C319 VanDerWaalsContact O-SG 3.4Å; D315-C319 PolarHBondContact O-N 3.21Å; V316-C319 CarbonylContact O-C 3.53Å; V316-C319 PolarHBondContact O-N 2.79Å; C319-L321 PolarHBondContact O-N 2.94Å; C319-L322 HydrophobicContact CB-CD1 3.57Å; C319-L322 HydrophobicContact CB-CG 3.68Å; C319-L322 VanDerWaalsContact O-CB 3.3Å; C319-L322 WeakPolarHBondContact O-CB 3.38Å; C319-L322 WeakPolarHBondContact O-CG 3.44Å; C319-L322 PolarHBondContact O-N 3.45Å
320P98.7Very high97.6Very high0 Ų041.7 Ų41.70%022%0.215CC..G310 helixtrans-61.9-16.3-176.524.2-35.6000113.9N192 A195 A196 Q199 L221 V316 A318 L322 A323N192-P320 VanDerWaalsContact ND2-CD 3.33Å; N192-P320 WeakPolarHBondContact ND2-CD 3.18Å; A195-P320 HydrophobicContact CB-CB 3.92Å; A195-P320 HydrophobicContact CB-CG 3.93Å; A196-P320 HydrophobicContact CB-CB 4.31Å; A196-P320 HydrophobicContact CB-CG 4.45Å; Q199-P320 PolarHBondContact NE2-O 3.32Å; L221-P320 HydrophobicContact CB-CG 4.43Å; L221-P320 HydrophobicContact CD2-CG 3.56Å; L221-P320 WeakPolarHBondContact O-CD 3.26Å; V316-P320 WeakPolarHBondContact O-CA 3.49Å; V316-P320 VanDerWaalsContact O-N 3.17Å; A318-P320 VanDerWaalsContact C-CD 3.43Å; A318-P320 VanDerWaalsContact O-CD 3.25Å; A318-P320 WeakPolarHBondContact O-CD 3.44Å; P320-L322 PolarHBondContact O-N 3.2Å; P320-A323 PolarHBondContact O-N 3.36Å
321L98.5Very high97.7Very high0 Ų040.9 Ų40.90%021%0.212CC..G310 helixtrans-64.5-16.3169.4-173.657.3000112.3L221 Q222 V280 C319 M350 Y351 R354L221-L321 HydrophobicContact CB-CB 3.87Å; L221-L321 VanDerWaalsContact O-CB 3.23Å; L221-L321 WeakPolarHBondContact O-CB 3.21Å; L221-L321 PolarHBondContact O-N 3.3Å; Q222-L321 HydrophobicContact CB-CB 4.14Å; Q222-L321 HydrophobicContact CB-CD2 4.02Å; Q222-L321 HydrophobicContact CG-CD2 3.82Å; V280-L321 HydrophobicContact CG1-CD2 4.02Å; C319-L321 PolarHBondContact O-N 2.94Å; L321-M350 HydrophobicContact CD1-CB 4.23Å; L321-M350 HydrophobicContact CD2-CB 3.99Å; L321-M350 HydrophobicContact CD2-CE 3.88Å; L321-M350 HydrophobicContact CD2-SD 4.43Å; L321-Y351 HydrophobicContact CD1-CD2 3.7Å; L321-Y351 HydrophobicContact CD1-CG 4.32Å; L321-R354 HydrophobicContact CD1-CG 4.41Å; L321-R354 PolarHBondContact O-NH1 2.89Å
322L98.4Very high97.9Very high10 Ų1038.5 Ų38.55%0.05220%0.197CC..G310 helixtrans-86.6-3.2179.6-52.3-175.6000113.7L224 L276 F279 V280 C319 P320L224-L322 HydrophobicContact CD1-CD1 3.89Å; L224-L322 HydrophobicContact CD1-CD2 3.43Å; L224-L322 VanDerWaalsContact CD1-CD2 3.43Å; L224-L322 HydrophobicContact CD1-CG 4.3Å; L224-L322 HydrophobicContact CD2-CD1 4.36Å; L224-L322 HydrophobicContact CG-CD1 4.14Å; L224-L322 HydrophobicContact CG-CD2 4.14Å; L276-L322 HydrophobicContact CD1-CD1 4.43Å; F279-L322 HydrophobicContact CB-CD2 3.81Å; F279-L322 HydrophobicContact CD2-CB 4.36Å; F279-L322 HydrophobicContact CD2-CD2 4.18Å; F279-L322 HydrophobicContact CG-CD2 4.44Å; V280-L322 HydrophobicContact CG1-CD2 4.18Å; C319-L322 HydrophobicContact CB-CD1 3.57Å; C319-L322 HydrophobicContact CB-CG 3.68Å; C319-L322 VanDerWaalsContact O-CB 3.3Å; C319-L322 WeakPolarHBondContact O-CB 3.38Å; C319-L322 WeakPolarHBondContact O-CG 3.44Å; C319-L322 PolarHBondContact O-N 3.45Å; P320-L322 PolarHBondContact O-N 3.2Å
323A98.1Very high97.9Very high1 Ų141.9 Ų41.91%0.00821%0.211CC..  trans-60.5143-178.600000112Q199 V316 P320 L328 R354Q199-A323 VanDerWaalsContact OE1-CB 3.3Å; V316-A323 HydrophobicContact CG2-CB 3.75Å; P320-A323 PolarHBondContact O-N 3.36Å; A323-L328 HydrophobicContact CB-CD2 3.78Å; A323-L328 HydrophobicContact CB-CG 4.1Å; A323-R354 PolarHBondContact O-NH1 3.24Å; A323-R354 PolarHBondContact O-NH2 3.49Å
324N97.3Very high98.1Very high87 Ų8741.9 Ų41.947%0.46521%0.211SC..  trans-68.2151.6175.6-71.2-43.7000110.8N326 I327 L328N324-N326 WeakPolarHBondContact CB-OD1 3.4Å; N324-N326 PolarHBondContact O-N 2.93Å; N324-N326 VanDerWaalsContact O-N 3.17Å; N324-I327 PolarHBondContact O-N 3.48Å; N324-L328 PolarHBondContact O-N 3.47Å; N324-L328 VanDerWaalsContact O-N 3.1Å
325D97.4Very high98.2Very high85 Ų8540 Ų4046%0.45520%0.201SC..Hα-helixtrans-61-28-177.4-72-2.3000113I327 L328 H329 R354 V358D325-I327 VanDerWaalsContact C-N 3.27Å; D325-I327 PolarHBondContact O-N 2.86Å; D325-L328 PolarHBondContact O-N 3.3Å; D325-H329 WeakPolarHBondContact O-CB 3.45Å; D325-H329 PolarHBondContact O-N 3.34Å; D325-R354 IonicContact OD1-CZ 2.98Å; D325-R354 IonicContact OD1-NE 3.66Å; D325-R354 IonicContact OD1-NH2 3.11Å; D325-R354 PolarHBondContact OD1-NH2 2.93Å; D325-V358 HydrophobicContact CB-CG1 3.57Å; D325-V358 VanDerWaalsContact CG-CG1 3.48Å
326N96.6Very high98.2Very high109 Ų10937.5 Ų37.558%0.58319%0.188SC*.Hα-helixtrans-65.7-26.5174.667.8-21.5000113.4N324 H330N324-N326 WeakPolarHBondContact CB-OD1 3.4Å; N324-N326 PolarHBondContact O-N 2.93Å; N324-N326 VanDerWaalsContact O-N 3.17Å; N326-H330 PolarHBondContact O-CD2 2.88Å
327I97.6Very high98.2Very high21 Ų2135 Ų3511%0.10817%0.173CC..Hα-helixtrans-84.5-46.5172.5-63.3164.4000109.1Q199 Q203 N324 D325 H329 H330Q199-I327 HydrophobicContact CB-CG2 3.89Å; Q199-I327 HydrophobicContact CG-CG2 4.06Å; Q203-I327 HydrophobicContact CG-CG1 4.44Å; N324-I327 PolarHBondContact O-N 3.48Å; D325-I327 VanDerWaalsContact C-N 3.27Å; D325-I327 PolarHBondContact O-N 2.86Å; I327-H329 VanDerWaalsContact C-N 3.32Å; I327-H329 PolarHBondContact O-N 3.13Å; I327-H330 PolarHBondContact O-N 3.05Å; I327-H330 VanDerWaalsContact O-N 3.11Å
328L98.3Very high98.2Very high0 Ų031.4 Ų31.40%016%0.157CC..Hα-helixtrans-59.3-40-176-65.9-176.5000112.6A323 N324 D325 H330 L331 Y351 R354 L355 V358 V360A323-L328 HydrophobicContact CB-CD2 3.78Å; A323-L328 HydrophobicContact CB-CG 4.1Å; N324-L328 PolarHBondContact O-N 3.47Å; N324-L328 VanDerWaalsContact O-N 3.1Å; D325-L328 PolarHBondContact O-N 3.3Å; L328-H330 PolarHBondContact O-N 2.72Å; L328-H330 VanDerWaalsContact O-N 3.1Å; L328-L331 HydrophobicContact CB-CD1 4.33Å; L328-L331 HydrophobicContact CD2-CD1 3.56Å; L328-L331 VanDerWaalsContact O-CB 3.27Å; L328-L331 WeakPolarHBondContact O-CB 3.36Å; L328-L331 VanDerWaalsContact O-CG 3.32Å; L328-L331 WeakPolarHBondContact O-CG 3.21Å; L328-L331 PolarHBondContact O-N 2.91Å; L328-Y351 HydrophobicContact CD2-CE2 3.87Å; L328-R354 HydrophobicContact CD1-CB 4.2Å; L328-L355 HydrophobicContact CB-CD2 4.28Å; L328-L355 HydrophobicContact CD2-CD2 4.05Å; L328-V358 HydrophobicContact CB-CG2 3.8Å; L328-V360 WeakPolarHBondContact O-CG2 2.93Å
329H97.6Very high98.2Very high115 Ų11531.4 Ų31.453%0.53216%0.157SC..THydrogen-bonded Turntrans-59.5-23.4179.7-176.6-161.2000113.3D325 I327 V358D325-H329 WeakPolarHBondContact O-CB 3.45Å; D325-H329 PolarHBondContact O-N 3.34Å; I327-H329 VanDerWaalsContact C-N 3.32Å; I327-H329 PolarHBondContact O-N 3.13Å; H329-V358 HydrophobicContact CB-CB 4.2Å; H329-V358 HydrophobicContact CB-CG2 4.43Å; H329-V358 PolarHBondContact CD2-O 2.88Å
330H97.7Very high98.1Very high124 Ų12432.8 Ų32.857%0.57416%0.164SC*.THydrogen-bonded Turntrans-91.71-179.9-66.9-47.6000114.1I202 N326 I327 L328I202-H330 HydrophobicContact CD1-CB 4.25Å; I202-H330 VanDerWaalsContact CD1-O 3.31Å; I202-H330 WeakPolarHBondContact CD1-O 3.35Å; I202-H330 HydrophobicContact CG2-CB 3.6Å; N326-H330 PolarHBondContact O-CD2 2.88Å; I327-H330 PolarHBondContact O-N 3.05Å; I327-H330 VanDerWaalsContact O-N 3.11Å; L328-H330 PolarHBondContact O-N 2.72Å; L328-H330 VanDerWaalsContact O-N 3.1Å
331L98.5Very high98Very high13 Ų1334.8 Ų34.87%0.06817%0.171CC..  trans-64.4147.2-179.6-71.8173000112.3T198 Q199 I202 L328 Y351 L355 V360T198-L331 HydrophobicContact CG2-CD2 3.62Å; Q199-L331 HydrophobicContact CG-CD2 3.9Å; I202-L331 HydrophobicContact CD1-CD2 3.58Å; I202-L331 HydrophobicContact CD1-CG 4.19Å; L328-L331 HydrophobicContact CB-CD1 4.33Å; L328-L331 HydrophobicContact CD2-CD1 3.56Å; L328-L331 VanDerWaalsContact O-CB 3.27Å; L328-L331 WeakPolarHBondContact O-CB 3.36Å; L328-L331 VanDerWaalsContact O-CG 3.32Å; L328-L331 WeakPolarHBondContact O-CG 3.21Å; L328-L331 PolarHBondContact O-N 2.91Å; L331-Y351 WeakPolarHBondContact CD1-OH 3.26Å; L331-L355 HydrophobicContact CD1-CD2 3.37Å; L331-V360 HydrophobicContact CB-CG1 4.46Å; L331-V360 HydrophobicContact CB-CG2 4.16Å
332P98.5Very high98Very high20 Ų2034.8 Ų34.813%0.1317%0.172CC..  trans-65.7175.8176.531.2-38000111.2T198 L211 Q214 T334T198-P332 VanDerWaalsContact CG2-CD 3.41Å; T198-P332 HydrophobicContact CG2-CG 3.72Å; L211-P332 HydrophobicContact CB-CG 4.41Å; L211-P332 WeakPolarHBondContact O-CB 3.43Å; Q214-P332 HydrophobicContact CB-CG 4.09Å; Q214-P332 HydrophobicContact CG-CG 4.15Å; P332-T334 PolarHBondContact O-N 2.86Å; P332-T334 VanDerWaalsContact O-N 3.16Å; P332-T334 PolarHBondContact O-OG1 2.92Å
333K98.7Very high97.9Very high73 Ų7334.3 Ų34.332%0.31717%0.169SC..EExtended strand (participates in β ladder)trans-55.5125.2172.7-174180-66.2-166.80109.8V213 Q214 H361 W393 N397V213-K333 CarbonylContact C-O 3.58Å; V213-K333 WeakPolarHBondContact CA-O 3.22Å; V213-K333 HydrophobicContact CG1-CB 4.33Å; Q214-K333 PolarHBondContact N-O 3.41Å; K333-H361 HydrophobicContact CG-CB 4.25Å; K333-H361 VanDerWaalsContact CG-CD2 3.49Å; K333-H361 WeakPolarHBondContact CG-CD2 3.39Å; K333-W393 HydrophobicContact CD-CH2 4.31Å; K333-W393 HydrophobicContact CD-CZ2 3.83Å; K333-W393 HydrophobicContact CG-CH2 4.16Å; K333-W393 HydrophobicContact CG-CZ2 3.84Å; K333-N397 HydrophobicContact CD-CB 4.15Å; K333-N397 WeakPolarHBondContact CD-OD1 3.49Å; K333-N397 PolarHBondContact NZ-OD1 3.37Å
334T98.9Very high97.9Very high0 Ų034.3 Ų34.30%017%0.169CC..EExtended strand (participates in β ladder)trans-112.1129.7-168.8-63.30000111.2Q214 L216 P332 I336 L355 H361 V362 T363Q214-T334 HydrophobicContact CG-CG2 3.83Å; Q214-T334 VanDerWaalsContact CG-OG1 3.28Å; Q214-T334 WeakPolarHBondContact CG-OG1 3.31Å; Q214-T334 PolarHBondContact NE2-OG1 3.36Å; Q214-T334 CarbonylContact O-C 3.5Å; Q214-T334 WeakPolarHBondContact O-CA 3.28Å; L216-T334 HydrophobicContact CD1-CG2 4.44Å; P332-T334 PolarHBondContact O-N 2.86Å; P332-T334 VanDerWaalsContact O-N 3.16Å; P332-T334 PolarHBondContact O-OG1 2.92Å; T334-I336 HydrophobicContact CG2-CD1 3.76Å; T334-I336 HydrophobicContact CG2-CG1 3.69Å; T334-L355 HydrophobicContact CG2-CD1 3.67Å; T334-H361 PolarHBondContact N-O 3.13Å; T334-V362 CarbonylContact O-C 3.53Å; T334-V362 WeakPolarHBondContact O-CA 3.42Å; T334-T363 PolarHBondContact O-N 3.3Å
335Y98.9Very high97.9Very high2 Ų230.2 Ų30.21%0.00815%0.147CC..EExtended strand (participates in β ladder)trans-107128.3166.6-175.3-132.3000109.3Q214 A215 L216 I337 T363 H365 Y390 W393Q214-Y335 PolarHBondContact O-N 2.73Å; A215-Y335 CarbonylContact C-O 3.57Å; A215-Y335 WeakPolarHBondContact CA-O 3.5Å; A215-Y335 HydrophobicContact CB-CD1 4.23Å; L216-Y335 PolarHBondContact N-O 3.29Å; Y335-I337 HydrophobicContact CD1-CG1 4.33Å; Y335-I337 HydrophobicContact CE1-CD1 3.67Å; Y335-I337 HydrophobicContact CE1-CG1 3.58Å; Y335-I337 HydrophobicContact CE2-CG1 4.43Å; Y335-T363 WeakPolarHBondContact CA-O 2.95Å; Y335-T363 HydrophobicContact CD2-CG2 3.83Å; Y335-T363 VanDerWaalsContact CD2-O 3.3Å; Y335-T363 WeakPolarHBondContact CD2-O 3.29Å; Y335-T363 HydrophobicContact CE2-CG2 3.97Å; Y335-H365 HydrophobicContact CE2-CB 4.11Å; Y335-Y390 HydrophobicContact CD1-CD2 4.14Å; Y335-Y390 HydrophobicContact CE1-CD2 4.09Å; Y335-W393 HydrophobicContact CD1-CB 4.47Å; Y335-W393 HydrophobicContact CD1-CD2 4.24Å; Y335-W393 HydrophobicContact CD1-CE3 4.26Å; Y335-W393 HydrophobicContact CD1-CG 4.33Å; Y335-W393 AromaticContact CD2-CD1 3.84Å; Y335-W393 HydrophobicContact CD2-CD2 4.08Å; Y335-W393 AromaticContact CD2-CG 3.93Å; Y335-W393 HydrophobicContact CD2-CG 3.93Å; Y335-W393 AromaticContact CD2-NE1 3.94Å; Y335-W393 HydrophobicContact CE1-CB 4.4Å; Y335-W393 HydrophobicContact CE2-CG 4.27Å; Y335-W393 AromaticContact CG-CD2 3.76Å; Y335-W393 HydrophobicContact CG-CD2 3.76Å; Y335-W393 HydrophobicContact CG-CE3 4.04Å; Y335-W393 AromaticContact CG-CG 3.98Å; Y335-W393 HydrophobicContact CG-CG 3.98Å
336I98.9Very high98Very high0 Ų026.2 Ų26.20%013%0.125CC..EExtended strand (participates in β ladder)trans-125129.2176.2-66.2164.3000108.8L216 T334 T338 Y351 V352 L355 V362 T363 H364 H365L216-I336 HydrophobicContact CB-CG1 4.21Å; L216-I336 HydrophobicContact CD1-CG1 4.19Å; L216-I336 HydrophobicContact CG-CG1 4.45Å; L216-I336 WeakPolarHBondContact O-CA 3.49Å; T334-I336 HydrophobicContact CG2-CD1 3.76Å; T334-I336 HydrophobicContact CG2-CG1 3.69Å; I336-T338 HydrophobicContact CG2-CG2 3.95Å; I336-Y351 HydrophobicContact CD1-CD1 3.8Å; I336-V352 HydrophobicContact CB-CG2 3.93Å; I336-V352 HydrophobicContact CD1-CG2 3.55Å; I336-V352 HydrophobicContact CG1-CG2 4.32Å; I336-V352 HydrophobicContact CG2-CG2 3.91Å; I336-L355 HydrophobicContact CD1-CD1 3.9Å; I336-V362 HydrophobicContact CD1-CG1 4.32Å; I336-T363 PolarHBondContact N-O 3.26Å; I336-H364 WeakPolarHBondContact O-CA 3.34Å; I336-H364 PolarHBondContact O-CD2 3.12Å; I336-H365 PolarHBondContact O-N 3.28Å
337I98.7Very high98Very high0 Ų021 Ų210%010%0.098CC..EExtended strand (participates in β ladder)trans-105132166.7-55.2-177.4000108L216 I217 Y218 Y335 H365 V367 M386L216-I337 PolarHBondContact O-N 3.05Å; I217-I337 HydrophobicContact CG1-CD1 4.25Å; I217-I337 HydrophobicContact CG2-CB 4.42Å; I217-I337 HydrophobicContact CG2-CD1 4.45Å; Y218-I337 VanDerWaalsContact CA-O 3.28Å; Y218-I337 WeakPolarHBondContact CA-O 3.3Å; Y218-I337 PolarHBondContact N-O 2.93Å; Y335-I337 HydrophobicContact CD1-CG1 4.33Å; Y335-I337 HydrophobicContact CE1-CD1 3.67Å; Y335-I337 HydrophobicContact CE1-CG1 3.58Å; Y335-I337 HydrophobicContact CE2-CG1 4.43Å; I337-H365 VanDerWaalsContact CA-O 3.3Å; I337-H365 WeakPolarHBondContact CA-O 3.44Å; I337-V367 HydrophobicContact CG2-CG2 3.71Å; I337-M386 HydrophobicContact CG2-CE 3.87Å
338T98.6Very high98.1Very high0 Ų020 Ų200%09%0.093CC..EExtended strand (participates in β ladder)trans-125.1154.9166.759.20000110.3I336 H364 H365 H366 V367I336-T338 HydrophobicContact CG2-CG2 3.95Å; T338-H364 PolarHBondContact OG1-NE2 3.38Å; T338-H365 PolarHBondContact N-O 3.18Å; T338-H366 CarbonylContact O-C 3.54Å; T338-H366 WeakPolarHBondContact O-CA 3.19Å; T338-H366 PolarHBondContact O-ND1 3.3Å; T338-H366 PolarHBondContact OG1-ND1 3.37Å; T338-V367 PolarHBondContact O-N 3.48Å
339C98Very high98.1Very high0 Ų020.5 Ų20.50%010%0.095CC..EExtended strand (participates in β ladder)trans-112.6143.6-179-75.20000110D342 R345 G370 F371C339-D342 HydrophobicContact CB-CB 3.73Å; C339-R345 WeakPolarHBondContact O-CB 3.37Å; C339-R345 WeakPolarHBondContact O-CG 3.3Å; C339-G370 VanDerWaalsContact CB-C 3.47Å; C339-G370 WeakPolarHBondContact CB-O 3.29Å; C339-F371 PolarHBondContact SG-O 3.07Å
340Q96.9Very high98.2Very high29 Ų2915 Ų1514%0.1367%0.07CC..EExtended strand (participates in β ladder)trans-67.6-40.8-178.5175.452.545.100112.6Y290 D342 R345 H366 V367 E368 G370Y290-Q340 PolarHBondContact OH-OE1 3.24Å; Q340-D342 PolarHBondContact O-N 2.91Å; Q340-R345 PolarHBondContact O-NH1 2.86Å; Q340-H366 PolarHBondContact N-CE1 3.08Å; Q340-H366 PolarHBondContact OE1-NE2 3.09Å; Q340-H366 VanDerWaalsContact OE1-NE2 3.11Å; Q340-V367 PolarHBondContact N-O 2.93Å; Q340-E368 VanDerWaalsContact CB-O 3.22Å; Q340-E368 WeakPolarHBondContact CB-O 3.39Å; Q340-G370 PolarHBondContact N-O 3.47Å
341Y96.1Very high98.2Very high41 Ų419.1 Ų9.116%0.1614%0.042CC..EExtended strand (participates in β ladder)trans-101.655.3-178.7-53.2-67.3000111P23 A25 I26 F237 E368 G370 F371P23-Y341 HydrophobicContact CB-CD1 3.9Å; P23-Y341 HydrophobicContact CB-CD2 4.37Å; P23-Y341 HydrophobicContact CB-CE1 3.34Å; P23-Y341 HydrophobicContact CB-CE2 3.89Å; P23-Y341 HydrophobicContact CB-CG 4.37Å; P23-Y341 HydrophobicContact CG-CD1 3.42Å; P23-Y341 VanDerWaalsContact CG-CD1 3.42Å; P23-Y341 HydrophobicContact CG-CD2 4.29Å; P23-Y341 HydrophobicContact CG-CE1 3.41Å; P23-Y341 VanDerWaalsContact CG-CE1 3.41Å; P23-Y341 HydrophobicContact CG-CE2 4.28Å; P23-Y341 HydrophobicContact CG-CG 3.87Å; A25-Y341 HydrophobicContact CB-CE2 4.05Å; A25-Y341 WeakPolarHBondContact CB-OH 3.45Å; I26-Y341 HydrophobicContact CD1-CD2 4.29Å; I26-Y341 HydrophobicContact CG1-CD2 4Å; I26-Y341 HydrophobicContact CG1-CE2 4.16Å; F237-Y341 HydrophobicContact CD1-CD1 4.12Å; F237-Y341 AromaticContact CE1-CD1 3.83Å; F237-Y341 HydrophobicContact CE1-CD1 3.83Å; Y341-E368 WeakPolarHBondContact CE2-O 3.31Å; Y341-G370 PolarHBondContact N-O 3.11Å; Y341-F371 WeakPolarHBondContact O-CA 3.1Å; Y341-F371 WeakPolarHBondContact O-CB 3.35Å
342D97.4Very high98.2Very high1 Ų18.9 Ų8.91%0.0054%0.042CC..  trans-134.4131.9-179-173.6-12000110.2Y218 C339 Q340 L344 R345 H372Y218-D342 WeakPolarHBondContact CB-OD2 3.03Å; C339-D342 HydrophobicContact CB-CB 3.73Å; Q340-D342 PolarHBondContact O-N 2.91Å; D342-L344 PolarHBondContact O-N 3.23Å; D342-L344 PolarHBondContact OD1-N 3.27Å; D342-R345 WeakPolarHBondContact O-CB 3.42Å; D342-R345 PolarHBondContact O-N 3.04Å; D342-H372 HydrophobicContact CB-CB 4.4Å; D342-H372 VanDerWaalsContact CG-ND1 3.29Å; D342-H372 IonicContact OD1-CG 3.99Å; D342-H372 IonicContact OD1-ND1 3.37Å; D342-H372 PolarHBondContact OD1-ND1 3.05Å; D342-H372 VanDerWaalsContact OD1-ND1 3.14Å; D342-H372 IonicContact OD2-CE1 3.82Å; D342-H372 IonicContact OD2-CG 3.66Å; D342-H372 IonicContact OD2-ND1 2.76Å; D342-H372 PolarHBondContact OD2-ND1 3.2Å
343V97Very high98.2Very high0 Ų011.7 Ų11.70%05%0.051CC..THydrogen-bonded Turntrans-63.8-22.5176.9-62.60000112.5S230 Q231 F237 L240 M245S230-V343 PolarHBondContact OG-O 3.18Å; Q231-V343 PolarHBondContact NE2-O 2.81Å; Q231-V343 VanDerWaalsContact NE2-O 3.1Å; F237-V343 HydrophobicContact CD2-CG1 3.96Å; L240-V343 HydrophobicContact CB-CG2 4.47Å; L240-V343 HydrophobicContact CD2-CG2 3.52Å; L240-V343 HydrophobicContact CG-CG2 3.71Å; M245-V343 HydrophobicContact CB-CG2 4.17Å; M245-V343 HydrophobicContact CG-CG2 4.37Å
344L97.9Very high98.2Very high1 Ų18.9 Ų8.91%0.0054%0.039CC..THydrogen-bonded Turntrans-93.16.3175.1-60.1177.5000113.7A220 L240 M245 D342 D346 D347 G348A220-L344 HydrophobicContact CB-CD1 3.67Å; A220-L344 HydrophobicContact CB-CD2 4.01Å; A220-L344 HydrophobicContact CB-CG 4.49Å; L240-L344 HydrophobicContact CD2-CD1 4.19Å; L240-L344 HydrophobicContact CD2-CG 4.32Å; M245-L344 HydrophobicContact CG-CD2 4.08Å; M245-L344 HydrophobicContact SD-CD1 4.02Å; M245-L344 HydrophobicContact SD-CD2 3.99Å; M245-L344 HydrophobicContact SD-CG 4.24Å; D342-L344 PolarHBondContact O-N 3.23Å; D342-L344 PolarHBondContact OD1-N 3.27Å; L344-D346 VanDerWaalsContact C-N 3.25Å; L344-D346 PolarHBondContact O-N 3.31Å; L344-D347 WeakPolarHBondContact O-CB 3.43Å; L344-D347 PolarHBondContact O-N 2.97Å; L344-G348 PolarHBondContact O-N 3.38Å
345R98.1Very high98.2Very high1 Ų18.9 Ų8.90%0.0044%0.039CC..Hα-helixtrans-49.8-50.1177.4179.1-170.370.3-151.2-1.2111.4E233 C339 Q340 D342 D347 G348 L349E233-R345 IonicContact OE2-CZ 2.7Å; E233-R345 VanDerWaalsContact OE2-CZ 3.31Å; E233-R345 IonicContact OE2-NH1 2.74Å; E233-R345 PolarHBondContact OE2-NH1 3.32Å; E233-R345 IonicContact OE2-NH2 3.91Å; E233-R345 PolarHBondContact OE2-NH2 3.25Å; C339-R345 WeakPolarHBondContact O-CB 3.37Å; C339-R345 WeakPolarHBondContact O-CG 3.3Å; Q340-R345 PolarHBondContact O-NH1 2.86Å; D342-R345 WeakPolarHBondContact O-CB 3.42Å; D342-R345 PolarHBondContact O-N 3.04Å; R345-D347 PolarHBondContact O-N 3.49Å; R345-G348 PolarHBondContact O-N 2.75Å; R345-L349 HydrophobicContact CG-CD1 3.86Å; R345-L349 HydrophobicContact CG-CG 4.35Å; R345-L349 WeakPolarHBondContact O-CG 3.38Å; R345-L349 PolarHBondContact O-N 3.41Å; R345-L349 VanDerWaalsContact O-N 3.1Å
346D98.1Very high98.2Very high0 Ų013.5 Ų13.50%06%0.061CC..Hα-helixtrans-71.1-32.6-171.9-67.8-2000111.8V228 P229 S230 L286 L344 G348 L349 M350V228-D346 HydrophobicContact CB-CB 4.36Å; V228-D346 HydrophobicContact CG2-CB 4.05Å; P229-D346 VanDerWaalsContact CB-OD2 3.27Å; P229-D346 WeakPolarHBondContact CB-OD2 3.43Å; P229-D346 VanDerWaalsContact CD-OD2 3.29Å; P229-D346 WeakPolarHBondContact CD-OD2 3.28Å; S230-D346 PolarHBondContact N-OD2 3.05Å; S230-D346 WeakPolarHBondContact OG-CB 3.32Å; S230-D346 VanDerWaalsContact OG-CG 3.25Å; S230-D346 PolarHBondContact OG-N 2.91Å; S230-D346 PolarHBondContact OG-OD2 2.85Å; L286-D346 HydrophobicContact CD1-CB 4.08Å; L286-D346 WeakPolarHBondContact CD1-OD2 3.45Å; L286-D346 HydrophobicContact CD2-CB 3.89Å; L344-D346 VanDerWaalsContact C-N 3.25Å; L344-D346 PolarHBondContact O-N 3.31Å; D346-G348 PolarHBondContact O-N 3.21Å; D346-L349 PolarHBondContact O-N 3.43Å; D346-M350 WeakPolarHBondContact O-CB 3.26Å; D346-M350 VanDerWaalsContact O-CG 3.22Å; D346-M350 WeakPolarHBondContact O-CG 3.5Å; D346-M350 PolarHBondContact O-N 3.4Å
347D98.4Very high98.1Very high1 Ų118.2 Ų18.21%0.0059%0.086CC..Hα-helixtrans-54.2-52.6172.3-7929000110.8L221 Q222 L344 R345 M350 Y351L221-D347 HydrophobicContact CB-CB 4.2Å; L221-D347 PolarHBondContact N-OD2 2.78Å; Q222-D347 PolarHBondContact N-OD2 2.85Å; Q222-D347 VanDerWaalsContact N-OD2 3.1Å; Q222-D347 PolarHBondContact NE2-OD1 3.5Å; L344-D347 WeakPolarHBondContact O-CB 3.43Å; L344-D347 PolarHBondContact O-N 2.97Å; R345-D347 PolarHBondContact O-N 3.49Å; D347-M350 PolarHBondContact O-N 2.86Å; D347-Y351 WeakPolarHBondContact O-CB 3.33Å; D347-Y351 PolarHBondContact O-N 3.06Å
348G98.6Very high98.1Very high0 Ų019.2 Ų19.20%09%0.092CC..Hα-helixtrans-65.4-40.5179.700000112.9L344 R345 D346 Y351 V352L344-G348 PolarHBondContact O-N 3.38Å; R345-G348 PolarHBondContact O-N 2.75Å; D346-G348 PolarHBondContact O-N 3.21Å; G348-Y351 PolarHBondContact O-N 3.18Å; G348-V352 VanDerWaalsContact O-CG2 3.28Å; G348-V352 WeakPolarHBondContact O-CG2 3.47Å; G348-V352 PolarHBondContact O-N 2.89Å
349L98.6Very high98.1Very high10 Ų1022.1 Ų22.15%0.05212%0.122CC..Hα-helixtrans-65.4-42.9177.8-68.3178.5000112.2L286 Y290 R345 D346 Y351 V352 K353 H364L286-L349 HydrophobicContact CD2-CB 3.71Å; L286-L349 HydrophobicContact CD2-CD1 4.27Å; Y290-L349 HydrophobicContact CD2-CD1 3.47Å; Y290-L349 VanDerWaalsContact CD2-CD1 3.47Å; Y290-L349 HydrophobicContact CE2-CD1 3.5Å; Y290-L349 VanDerWaalsContact CE2-CD1 3.5Å; Y290-L349 HydrophobicContact CG-CD1 4.27Å; R345-L349 HydrophobicContact CG-CD1 3.86Å; R345-L349 HydrophobicContact CG-CG 4.35Å; R345-L349 WeakPolarHBondContact O-CG 3.38Å; R345-L349 PolarHBondContact O-N 3.41Å; R345-L349 VanDerWaalsContact O-N 3.1Å; D346-L349 PolarHBondContact O-N 3.43Å; L349-Y351 VanDerWaalsContact C-N 3.33Å; L349-Y351 PolarHBondContact O-N 2.79Å; L349-V352 PolarHBondContact O-N 3.4Å; L349-K353 PolarHBondContact O-N 3.01Å; L349-H364 WeakPolarHBondContact CD2-CE1 3.37Å
350M98.6Very high98.1Very high0 Ų022.8 Ų22.80%013%0.126CC..Hα-helixtrans-61.6-43.4175.2-71.2-168.7-74.700111V228 W282 L285 L286 L321 D346 D347 K353 R354V228-M350 HydrophobicContact CG1-CE 4.29Å; W282-M350 HydrophobicContact CB-SD 3.98Å; L285-M350 HydrophobicContact CB-CB 4Å; L285-M350 HydrophobicContact CB-CG 3.61Å; L285-M350 HydrophobicContact CB-SD 4.26Å; L285-M350 HydrophobicContact CD1-CB 4.05Å; L285-M350 HydrophobicContact CD1-CG 4.13Å; L285-M350 HydrophobicContact CD1-SD 4.09Å; L286-M350 HydrophobicContact CD2-CG 3.7Å; L286-M350 HydrophobicContact CG-CG 4.27Å; L321-M350 HydrophobicContact CD1-CB 4.23Å; L321-M350 HydrophobicContact CD2-CB 3.99Å; L321-M350 HydrophobicContact CD2-CE 3.88Å; L321-M350 HydrophobicContact CD2-SD 4.43Å; D346-M350 WeakPolarHBondContact O-CB 3.26Å; D346-M350 VanDerWaalsContact O-CG 3.22Å; D346-M350 WeakPolarHBondContact O-CG 3.5Å; D346-M350 PolarHBondContact O-N 3.4Å; D347-M350 PolarHBondContact O-N 2.86Å; M350-K353 PolarHBondContact O-N 2.94Å; M350-R354 WeakPolarHBondContact O-CG 3.25Å; M350-R354 PolarHBondContact O-N 3.36Å
351Y98.8Very high98.2Very high0 Ų026.8 Ų26.80%014%0.144CC..Hα-helixtrans-65-43.3177.9-161.5-125000112.4A195 Q199 L216 L221 L321 L328 L331 I336 D347 G348 L349 K353 R354 L355A195-Y351 HydrophobicContact CB-CE1 4.45Å; Q199-Y351 PolarHBondContact NE2-OH 2.84Å; L216-Y351 HydrophobicContact CD1-CD1 4.04Å; L216-Y351 HydrophobicContact CD1-CE1 3.63Å; L221-Y351 HydrophobicContact CD1-CD1 3.67Å; L221-Y351 HydrophobicContact CD1-CD2 4.2Å; L221-Y351 HydrophobicContact CD1-CE1 4.5Å; L221-Y351 HydrophobicContact CD1-CG 3.5Å; L221-Y351 VanDerWaalsContact CD1-CG 3.5Å; L321-Y351 HydrophobicContact CD1-CD2 3.7Å; L321-Y351 HydrophobicContact CD1-CG 4.32Å; L328-Y351 HydrophobicContact CD2-CE2 3.87Å; L331-Y351 WeakPolarHBondContact CD1-OH 3.26Å; I336-Y351 HydrophobicContact CD1-CD1 3.8Å; D347-Y351 WeakPolarHBondContact O-CB 3.33Å; D347-Y351 PolarHBondContact O-N 3.06Å; G348-Y351 PolarHBondContact O-N 3.18Å; L349-Y351 VanDerWaalsContact C-N 3.33Å; L349-Y351 PolarHBondContact O-N 2.79Å; Y351-K353 VanDerWaalsContact C-N 3.28Å; Y351-K353 PolarHBondContact O-N 2.88Å; Y351-R354 PolarHBondContact O-N 2.93Å; Y351-L355 HydrophobicContact CD1-CD1 3.79Å; Y351-L355 HydrophobicContact CD1-CG 4.22Å; Y351-L355 HydrophobicContact CE1-CD1 3.67Å; Y351-L355 HydrophobicContact CE1-CD2 4.33Å; Y351-L355 HydrophobicContact CE1-CG 4.16Å; Y351-L355 HydrophobicContact CE2-CD2 4.32Å; Y351-L355 HydrophobicContact CG-CD1 4.44Å; Y351-L355 HydrophobicContact CG-CG 4.42Å; Y351-L355 WeakPolarHBondContact O-CB 3.39Å; Y351-L355 VanDerWaalsContact O-CG 3.26Å; Y351-L355 WeakPolarHBondContact O-CG 3.4Å; Y351-L355 PolarHBondContact O-N 3.3Å
352V98.7Very high98.3Very high8 Ų825.9 Ų25.95%0.04814%0.143CC..Hα-helixtrans-52.2-49.3171.9167.60000110.4I336 G348 L349 R354 L355 Q356 V362 H364I336-V352 HydrophobicContact CB-CG2 3.93Å; I336-V352 HydrophobicContact CD1-CG2 3.55Å; I336-V352 HydrophobicContact CG1-CG2 4.32Å; I336-V352 HydrophobicContact CG2-CG2 3.91Å; G348-V352 VanDerWaalsContact O-CG2 3.28Å; G348-V352 WeakPolarHBondContact O-CG2 3.47Å; G348-V352 PolarHBondContact O-N 2.89Å; L349-V352 PolarHBondContact O-N 3.4Å; V352-R354 PolarHBondContact O-N 3.46Å; V352-L355 PolarHBondContact O-N 3.47Å; V352-Q356 HydrophobicContact CG1-CG 4.46Å; V352-Q356 WeakPolarHBondContact O-CB 3.37Å; V352-Q356 VanDerWaalsContact O-CG 3.28Å; V352-Q356 WeakPolarHBondContact O-CG 3.45Å; V352-Q356 PolarHBondContact O-N 3.38Å; V352-V362 HydrophobicContact CG1-CG1 4.2Å; V352-V362 HydrophobicContact CG2-CG1 4.21Å; V352-H364 HydrophobicContact CG1-CB 3.98Å; V352-H364 HydrophobicContact CG2-CB 3.87Å
353K98.4Very high98.3Very high78 Ų7828 Ų2834%0.33916%0.157SC..Hα-helixtrans-62.6-44.5-179.1-177.554.5173.8158.30112L285 L349 M350 Y351 Q356 N357L285-K353 HydrophobicContact CD2-CB 4.4Å; L285-K353 HydrophobicContact CD2-CG 4.01Å; L285-K353 WeakPolarHBondContact O-CB 3.42Å; L349-K353 PolarHBondContact O-N 3.01Å; M350-K353 PolarHBondContact O-N 2.94Å; Y351-K353 VanDerWaalsContact C-N 3.28Å; Y351-K353 PolarHBondContact O-N 2.88Å; K353-Q356 PolarHBondContact O-N 3.43Å; K353-N357 WeakPolarHBondContact CE-OD1 3.25Å; K353-N357 PolarHBondContact NZ-OD1 3.09Å; K353-N357 PolarHBondContact O-N 2.74Å; K353-N357 PolarHBondContact O-ND2 2.77Å; K353-N357 PolarHBondContact O-OD1 3.4Å
354R98.3Very high98.4Very high14 Ų1431 Ų315%0.05317%0.171CC..Hα-helixtrans-61.9-48177.6-71.2-160.566-174-4112.2F279 L285 L321 A323 D325 L328 M350 Y351 V352 Q356 N357 V358F279-R354 VanDerWaalsContact CD1-CZ 3.41Å; L285-R354 HydrophobicContact CD1-CG 4.21Å; L285-R354 HydrophobicContact CD2-CG 3.77Å; L321-R354 HydrophobicContact CD1-CG 4.41Å; L321-R354 PolarHBondContact O-NH1 2.89Å; A323-R354 PolarHBondContact O-NH1 3.24Å; A323-R354 PolarHBondContact O-NH2 3.49Å; D325-R354 IonicContact OD1-CZ 2.98Å; D325-R354 IonicContact OD1-NE 3.66Å; D325-R354 IonicContact OD1-NH2 3.11Å; D325-R354 PolarHBondContact OD1-NH2 2.93Å; L328-R354 HydrophobicContact CD1-CB 4.2Å; M350-R354 WeakPolarHBondContact O-CG 3.25Å; M350-R354 PolarHBondContact O-N 3.36Å; Y351-R354 PolarHBondContact O-N 2.93Å; V352-R354 PolarHBondContact O-N 3.46Å; R354-Q356 VanDerWaalsContact C-N 3.34Å; R354-Q356 PolarHBondContact O-N 3.39Å; R354-N357 PolarHBondContact O-N 3.29Å; R354-V358 PolarHBondContact O-N 3.18Å
355L98.7Very high98.4Very high0 Ų033.3 Ų33.30%018%0.181CC..Hα-helixtrans-60.1-42.6178-69.3-175.9000112.3L328 L331 T334 I336 Y351 V352 V358 G359 V360 V362L328-L355 HydrophobicContact CB-CD2 4.28Å; L328-L355 HydrophobicContact CD2-CD2 4.05Å; L331-L355 HydrophobicContact CD1-CD2 3.37Å; T334-L355 HydrophobicContact CG2-CD1 3.67Å; I336-L355 HydrophobicContact CD1-CD1 3.9Å; Y351-L355 HydrophobicContact CD1-CD1 3.79Å; Y351-L355 HydrophobicContact CD1-CG 4.22Å; Y351-L355 HydrophobicContact CE1-CD1 3.67Å; Y351-L355 HydrophobicContact CE1-CD2 4.33Å; Y351-L355 HydrophobicContact CE1-CG 4.16Å; Y351-L355 HydrophobicContact CE2-CD2 4.32Å; Y351-L355 HydrophobicContact CG-CD1 4.44Å; Y351-L355 HydrophobicContact CG-CG 4.42Å; Y351-L355 WeakPolarHBondContact O-CB 3.39Å; Y351-L355 VanDerWaalsContact O-CG 3.26Å; Y351-L355 WeakPolarHBondContact O-CG 3.4Å; Y351-L355 PolarHBondContact O-N 3.3Å; V352-L355 PolarHBondContact O-N 3.47Å; L355-V358 VanDerWaalsContact O-CG2 3.3Å; L355-V358 WeakPolarHBondContact O-CG2 3.43Å; L355-V358 PolarHBondContact O-N 3.5Å; L355-G359 PolarHBondContact O-N 2.86Å; L355-V360 HydrophobicContact CB-CB 4.12Å; L355-V360 HydrophobicContact CB-CG1 4.45Å; L355-V360 HydrophobicContact CD2-CB 4.49Å; L355-V360 HydrophobicContact CD2-CG2 4.27Å; L355-V360 WeakPolarHBondContact O-CB 3.47Å; L355-V360 PolarHBondContact O-N 3.45Å; L355-V362 HydrophobicContact CB-CG2 3.44Å; L355-V362 VanDerWaalsContact CB-CG2 3.44Å; L355-V362 HydrophobicContact CD1-CG2 3.88Å; L355-V362 HydrophobicContact CG-CG2 4.34Å
356Q98.3Very high98.4Very high99 Ų9934.4 Ų34.446%0.46319%0.186SC..Hα-helixtrans-63.7-41.4175.7-74.1173.5-15.600112.3V352 K353 R354 V358 G359 V362V352-Q356 HydrophobicContact CG1-CG 4.46Å; V352-Q356 WeakPolarHBondContact O-CB 3.37Å; V352-Q356 VanDerWaalsContact O-CG 3.28Å; V352-Q356 WeakPolarHBondContact O-CG 3.45Å; V352-Q356 PolarHBondContact O-N 3.38Å; K353-Q356 PolarHBondContact O-N 3.43Å; R354-Q356 VanDerWaalsContact C-N 3.34Å; R354-Q356 PolarHBondContact O-N 3.39Å; Q356-V358 PolarHBondContact O-N 3.2Å; Q356-G359 PolarHBondContact O-N 2.95Å; Q356-G359 VanDerWaalsContact O-N 3.09Å; Q356-V362 HydrophobicContact CG-CB 4.3Å; Q356-V362 HydrophobicContact CG-CG2 4.33Å
357N97.9Very high98.4Very high99 Ų9934.7 Ų34.753%0.52919%0.188SC..Hα-helixtrans-62.2-29.7179.6-70.8-10.7000112.6K353 R354K353-N357 WeakPolarHBondContact CE-OD1 3.25Å; K353-N357 PolarHBondContact NZ-OD1 3.09Å; K353-N357 PolarHBondContact O-N 2.74Å; K353-N357 PolarHBondContact O-ND2 2.77Å; K353-N357 PolarHBondContact O-OD1 3.4Å; R354-N357 PolarHBondContact O-N 3.29Å
358V98.1Very high98.3Very high21 Ų2139.1 Ų39.113%0.12721%0.209CC..THydrogen-bonded Turntrans-96.911.1177.3-55.50000113.4D325 L328 H329 R354 L355 Q356 V360D325-V358 HydrophobicContact CB-CG1 3.57Å; D325-V358 VanDerWaalsContact CG-CG1 3.48Å; L328-V358 HydrophobicContact CB-CG2 3.8Å; H329-V358 HydrophobicContact CB-CB 4.2Å; H329-V358 HydrophobicContact CB-CG2 4.43Å; H329-V358 PolarHBondContact CD2-O 2.88Å; R354-V358 PolarHBondContact O-N 3.18Å; L355-V358 VanDerWaalsContact O-CG2 3.3Å; L355-V358 WeakPolarHBondContact O-CG2 3.43Å; L355-V358 PolarHBondContact O-N 3.5Å; Q356-V358 PolarHBondContact O-N 3.2Å; V358-V360 HydrophobicContact CG2-CG2 4.04Å
359G98.2Very high98.1Very high62 Ų6240.4 Ų40.464%0.63922%0.215SC*.THydrogen-bonded Turntrans82.110.717200000116.4L355 Q356L355-G359 PolarHBondContact O-N 2.86Å; Q356-G359 PolarHBondContact O-N 2.95Å; Q356-G359 VanDerWaalsContact O-N 3.09Å
360V98.5Very high98Very high13 Ų1340 Ų408%0.07921%0.213CC..  trans-68.5137.6174.7173.60000109.9L328 L331 L355 V358 V362L328-V360 WeakPolarHBondContact O-CG2 2.93Å; L331-V360 HydrophobicContact CB-CG1 4.46Å; L331-V360 HydrophobicContact CB-CG2 4.16Å; L355-V360 HydrophobicContact CB-CB 4.12Å; L355-V360 HydrophobicContact CB-CG1 4.45Å; L355-V360 HydrophobicContact CD2-CB 4.49Å; L355-V360 HydrophobicContact CD2-CG2 4.27Å; L355-V360 WeakPolarHBondContact O-CB 3.47Å; L355-V360 PolarHBondContact O-N 3.45Å; V358-V360 HydrophobicContact CG2-CG2 4.04Å; V360-V362 HydrophobicContact CB-CG2 4.37Å; V360-V362 HydrophobicContact CG1-CG2 4.08Å; V360-V362 PolarHBondContact O-N 3.02Å
361H98.4Very high97.8Very high113 Ų11340 Ų4052%0.52321%0.213SC..  trans-72.2101.7172.8-17291.4000110.3K333 T334K333-H361 HydrophobicContact CG-CB 4.25Å; K333-H361 VanDerWaalsContact CG-CD2 3.49Å; K333-H361 WeakPolarHBondContact CG-CD2 3.39Å; T334-H361 PolarHBondContact N-O 3.13Å
362V98.7Very high97.8Very high22 Ų2240.7 Ų40.713%0.13322%0.216CC..EExtended strand (participates in β ladder)trans-106125.7179-1760000110.4T334 I336 V352 L355 Q356 V360 H364T334-V362 CarbonylContact O-C 3.53Å; T334-V362 WeakPolarHBondContact O-CA 3.42Å; I336-V362 HydrophobicContact CD1-CG1 4.32Å; V352-V362 HydrophobicContact CG1-CG1 4.2Å; V352-V362 HydrophobicContact CG2-CG1 4.21Å; L355-V362 HydrophobicContact CB-CG2 3.44Å; L355-V362 VanDerWaalsContact CB-CG2 3.44Å; L355-V362 HydrophobicContact CD1-CG2 3.88Å; L355-V362 HydrophobicContact CG-CG2 4.34Å; Q356-V362 HydrophobicContact CG-CB 4.3Å; Q356-V362 HydrophobicContact CG-CG2 4.33Å; V360-V362 HydrophobicContact CB-CG2 4.37Å; V360-V362 HydrophobicContact CG1-CG2 4.08Å; V360-V362 PolarHBondContact O-N 3.02Å; V362-H364 HydrophobicContact CG1-CB 4.38Å
363T98.7Very high97.6Very high47 Ų4740.8 Ų40.829%0.28822%0.219SC..EExtended strand (participates in β ladder)trans-98.8116.8157.9-56.40000107.8T334 Y335 I336 W393T334-T363 PolarHBondContact O-N 3.3Å; Y335-T363 WeakPolarHBondContact CA-O 2.95Å; Y335-T363 HydrophobicContact CD2-CG2 3.83Å; Y335-T363 VanDerWaalsContact CD2-O 3.3Å; Y335-T363 WeakPolarHBondContact CD2-O 3.29Å; Y335-T363 HydrophobicContact CE2-CG2 3.97Å; I336-T363 PolarHBondContact N-O 3.26Å; T363-W393 PolarHBondContact OG1-NE1 2.82Å
364H98.6Very high97.4Very high63 Ų6337.1 Ų37.129%0.29220%0.203SC..EExtended strand (participates in β ladder)trans-108.8129.9176.4171.3-135.7000109.7I336 T338 L349 V352 V362I336-H364 WeakPolarHBondContact O-CA 3.34Å; I336-H364 PolarHBondContact O-CD2 3.12Å; T338-H364 PolarHBondContact OG1-NE2 3.38Å; L349-H364 WeakPolarHBondContact CD2-CE1 3.37Å; V352-H364 HydrophobicContact CG1-CB 3.98Å; V352-H364 HydrophobicContact CG2-CB 3.87Å; V362-H364 HydrophobicContact CG1-CB 4.38Å
365H97.9Very high97.2Very high48 Ų4836.5 Ų36.522%0.22220%0.201CC..EExtended strand (participates in β ladder)trans-118.5114.1170.1-177.9-139.7000110Y335 I336 I337 T338 Q389Y335-H365 HydrophobicContact CE2-CB 4.11Å; I336-H365 PolarHBondContact O-N 3.28Å; I337-H365 VanDerWaalsContact CA-O 3.3Å; I337-H365 WeakPolarHBondContact CA-O 3.44Å; T338-H365 PolarHBondContact N-O 3.18Å; H365-Q389 PolarHBondContact CD2-NE2 3.31Å; H365-Q389 VanDerWaalsContact CD2-NE2 3.29Å; H365-Q389 PolarHBondContact CE1-NE2 3.1Å; H365-Q389 VanDerWaalsContact CE1-NE2 3.26Å; H365-Q389 PolarHBondContact CE1-OE1 3.42Å; H365-Q389 PolarHBondContact ND1-NE2 2.98Å; H365-Q389 VanDerWaalsContact ND1-NE2 3.11Å; H365-Q389 PolarHBondContact ND1-OE1 3.04Å; H365-Q389 VanDerWaalsContact ND1-OE1 3.08Å; H365-Q389 PolarHBondContact NE2-NE2 2.7Å; H365-Q389 PolarHBondContact NE2-OE1 3.39Å
366H98.1Very high96.8Very high25 Ų2537.3 Ų37.312%0.11621%0.207CC..EExtended strand (participates in β ladder)trans-95.7123172.8-168.460.2000110.2R289 Y290 T338 Q340 E368R289-H366 PolarHBondContact NH2-CD2 3.21Å; Y290-H366 PolarHBondContact OH-CD2 3.47Å; Y290-H366 PolarHBondContact OH-NE2 3.36Å; T338-H366 CarbonylContact O-C 3.54Å; T338-H366 WeakPolarHBondContact O-CA 3.19Å; T338-H366 PolarHBondContact O-ND1 3.3Å; T338-H366 PolarHBondContact OG1-ND1 3.37Å; Q340-H366 PolarHBondContact N-CE1 3.08Å; Q340-H366 PolarHBondContact OE1-NE2 3.09Å; Q340-H366 VanDerWaalsContact OE1-NE2 3.11Å; H366-E368 IonicContact CD2-OE1 3.23Å; H366-E368 PolarHBondContact CD2-OE1 2.9Å; H366-E368 IonicContact CD2-OE2 2.73Å
367V97.5Very high96.3Very high5 Ų534 Ų343%0.0319%0.191CC..EExtended strand (participates in β ladder)trans-96.1100.5-177.2-172.70000108.6I337 T338 Q340 D369 G370 L382 M386I337-V367 HydrophobicContact CG2-CG2 3.71Å; T338-V367 PolarHBondContact O-N 3.48Å; Q340-V367 PolarHBondContact N-O 2.93Å; V367-D369 VanDerWaalsContact C-N 3.28Å; V367-D369 VanDerWaalsContact CG1-OD1 3.31Å; V367-D369 WeakPolarHBondContact CG1-OD1 3.14Å; V367-D369 PolarHBondContact O-N 3.43Å; V367-G370 PolarHBondContact O-N 2.92Å; V367-L382 HydrophobicContact CG1-CD1 3.67Å; V367-L382 HydrophobicContact CG1-CD2 4.39Å; V367-L382 HydrophobicContact CG1-CG 4.48Å; V367-M386 HydrophobicContact CG1-CG 4.38Å; V367-M386 HydrophobicContact CG1-SD 4.31Å; V367-M386 HydrophobicContact CG2-CE 4.16Å; V367-M386 HydrophobicContact CG2-CG 4.2Å; V367-M386 HydrophobicContact CG2-SD 4.44Å
368E95.8Very high95.6Very high95 Ų9532.4 Ų32.444%0.44419%0.186SC..EExtended strand (participates in β ladder)trans-65.3-27-171.8-63.4-73.6171.800113.2R289 Q340 Y341 H366R289-E368 IonicContact CZ-OE1 3.8Å; R289-E368 IonicContact NH1-OE1 2.77Å; R289-E368 PolarHBondContact NH1-OE1 3.06Å; R289-E368 IonicContact NH2-OE1 3.36Å; R289-E368 PolarHBondContact NH2-OE1 3.04Å; R289-E368 IonicContact NH2-OE2 2.78Å; Q340-E368 VanDerWaalsContact CB-O 3.22Å; Q340-E368 WeakPolarHBondContact CB-O 3.39Å; Y341-E368 WeakPolarHBondContact CE2-O 3.31Å; H366-E368 IonicContact CD2-OE1 3.23Å; H366-E368 PolarHBondContact CD2-OE1 2.9Å; H366-E368 IonicContact CD2-OE2 2.73Å
369D94.6Very high95.1Very high27 Ų2733.7 Ų33.714%0.14420%0.203CC..EExtended strand (participates in β ladder)trans-100.83.6174.461-22.5000113.3A25 V367 L382 R385A25-D369 VanDerWaalsContact O-CB 3.27Å; A25-D369 WeakPolarHBondContact O-CB 3.46Å; V367-D369 VanDerWaalsContact C-N 3.28Å; V367-D369 VanDerWaalsContact CG1-OD1 3.31Å; V367-D369 WeakPolarHBondContact CG1-OD1 3.14Å; V367-D369 PolarHBondContact O-N 3.43Å; D369-L382 HydrophobicContact CB-CD2 4.33Å; D369-L382 WeakPolarHBondContact O-CD2 3.48Å; D369-L382 WeakPolarHBondContact OD1-CD1 3.4Å; D369-R385 IonicContact OD2-CZ 3.63Å; D369-R385 IonicContact OD2-NH2 2.68Å; D369-R385 PolarHBondContact OD2-NH2 3.19Å
370G96.3Very high94.9Very high0 Ų031 Ų310%017%0.174CC..EExtended strand (participates in β ladder)trans-83.6152.9-173.400000113.9C339 Q340 Y341 V367C339-G370 VanDerWaalsContact CB-C 3.47Å; C339-G370 WeakPolarHBondContact CB-O 3.29Å; Q340-G370 PolarHBondContact N-O 3.47Å; Y341-G370 PolarHBondContact N-O 3.11Å; V367-G370 PolarHBondContact O-N 2.92Å
371F96.1Very high94.7Very high2 Ų236.1 Ų36.11%0.00920%0.195CC..EExtended strand (participates in β ladder)trans-133.6176.7172.655.8-86.9000111I26 V32 P238 V239 C339 Y341 G373 T374 F377 L380I26-F371 HydrophobicContact CD1-CD1 4.34Å; V32-F371 HydrophobicContact CB-CE1 4.39Å; V32-F371 HydrophobicContact CB-CZ 4.33Å; V32-F371 HydrophobicContact CG1-CD1 4.34Å; V32-F371 HydrophobicContact CG1-CE1 3.82Å; V32-F371 HydrophobicContact CG1-CE2 4.21Å; V32-F371 HydrophobicContact CG1-CZ 3.75Å; V32-F371 HydrophobicContact CG2-CE1 3.62Å; V32-F371 HydrophobicContact CG2-CZ 3.74Å; P238-F371 HydrophobicContact CB-CD2 4.43Å; P238-F371 HydrophobicContact CG-CB 3.55Å; P238-F371 HydrophobicContact CG-CD1 4.12Å; P238-F371 HydrophobicContact CG-CD2 3.89Å; P238-F371 HydrophobicContact CG-CG 3.59Å; V239-F371 HydrophobicContact CB-CD2 4.5Å; V239-F371 HydrophobicContact CG2-CD2 4.11Å; V239-F371 HydrophobicContact CG2-CE2 3.96Å; C339-F371 PolarHBondContact SG-O 3.07Å; Y341-F371 WeakPolarHBondContact O-CA 3.1Å; Y341-F371 WeakPolarHBondContact O-CB 3.35Å; F371-G373 PolarHBondContact O-N 3.21Å; F371-T374 WeakPolarHBondContact CD1-OG1 3.24Å; F371-T374 VanDerWaalsContact CD2-OG1 3.26Å; F371-T374 WeakPolarHBondContact CD2-OG1 3.42Å; F371-T374 HydrophobicContact CE1-CG2 4.15Å; F371-T374 VanDerWaalsContact CE1-OG1 3.32Å; F371-T374 WeakPolarHBondContact CE1-OG1 3.5Å; F371-T374 WeakPolarHBondContact CE2-OG1 3.29Å; F371-T374 WeakPolarHBondContact CG-OG1 3.42Å; F371-T374 HydrophobicContact CZ-CG2 4.25Å; F371-T374 WeakPolarHBondContact CZ-OG1 3.36Å; F371-T374 PolarHBondContact N-OG1 3.04Å; F371-T374 VanDerWaalsContact N-OG1 3.12Å; F371-T374 PolarHBondContact O-N 2.86Å; F371-T374 PolarHBondContact O-OG1 3.03Å; F371-F377 AromaticContact CE2-CD2 3.78Å; F371-F377 HydrophobicContact CE2-CD2 3.78Å; F371-F377 AromaticContact CE2-CE2 3.7Å; F371-F377 HydrophobicContact CE2-CE2 3.7Å; F371-F377 HydrophobicContact CZ-CD2 4.25Å; F371-L380 HydrophobicContact CE1-CD1 4.46Å; F371-L380 HydrophobicContact CZ-CD1 3.8Å
372H97.1Very high94.6Very high13 Ų1331.2 Ų31.26%0.0617%0.173CC..THydrogen-bonded Turntrans-66.6136.3-179.2-160.176.2000111.7S188 Y218 L240 D342 T374S188-H372 VanDerWaalsContact CB-NE2 3.26Å; S188-H372 WeakPolarHBondContact CB-NE2 3.28Å; S188-H372 PolarHBondContact OG-CE1 3.03Å; S188-H372 VanDerWaalsContact OG-CE1 3.25Å; S188-H372 PolarHBondContact OG-NE2 3.2Å; Y218-H372 AromaticContact CD2-CE1 3.5Å; Y218-H372 VanDerWaalsContact CD2-CE1 3.5Å; Y218-H372 WeakPolarHBondContact CD2-CE1 2.86Å; Y218-H372 AromaticContact CD2-ND1 3.92Å; L240-H372 HydrophobicContact CB-CB 3.57Å; L240-H372 HydrophobicContact CD2-CB 4.03Å; L240-H372 VanDerWaalsContact CD2-CD2 3.43Å; L240-H372 WeakPolarHBondContact CD2-CD2 3.02Å; L240-H372 VanDerWaalsContact CD2-CG 3.4Å; L240-H372 HydrophobicContact CG-CB 4.45Å; D342-H372 HydrophobicContact CB-CB 4.4Å; D342-H372 VanDerWaalsContact CG-ND1 3.29Å; D342-H372 IonicContact OD1-CG 3.99Å; D342-H372 IonicContact OD1-ND1 3.37Å; D342-H372 PolarHBondContact OD1-ND1 3.05Å; D342-H372 VanDerWaalsContact OD1-ND1 3.14Å; D342-H372 IonicContact OD2-CE1 3.82Å; D342-H372 IonicContact OD2-CG 3.66Å; D342-H372 IonicContact OD2-ND1 2.76Å; D342-H372 PolarHBondContact OD2-ND1 3.2Å; H372-T374 PolarHBondContact O-N 3.45Å
373G94.6Very high94.4Very high11 Ų1130.2 Ų30.211%0.11317%0.167CC..THydrogen-bonded Turntrans77.9-2.8178.900000115Y218 F371 F375 S376 F377Y218-G373 WeakPolarHBondContact OH-CA 3.27Å; F371-G373 PolarHBondContact O-N 3.21Å; G373-F375 PolarHBondContact O-N 2.96Å; G373-S376 PolarHBondContact O-N 3.2Å; G373-F377 WeakPolarHBondContact O-CD2 3.5Å; G373-F377 PolarHBondContact O-N 3.25Å
374T94.2Very high94.2Very high0 Ų032.9 Ų32.90%018%0.176CC..THydrogen-bonded Turntrans-52.3-33.8178.5-53.20000113.2F371 H372 S376 F377 L380 L382 S383 M386F371-T374 WeakPolarHBondContact CD1-OG1 3.24Å; F371-T374 VanDerWaalsContact CD2-OG1 3.26Å; F371-T374 WeakPolarHBondContact CD2-OG1 3.42Å; F371-T374 HydrophobicContact CE1-CG2 4.15Å; F371-T374 VanDerWaalsContact CE1-OG1 3.32Å; F371-T374 WeakPolarHBondContact CE1-OG1 3.5Å; F371-T374 WeakPolarHBondContact CE2-OG1 3.29Å; F371-T374 WeakPolarHBondContact CG-OG1 3.42Å; F371-T374 HydrophobicContact CZ-CG2 4.25Å; F371-T374 WeakPolarHBondContact CZ-OG1 3.36Å; F371-T374 PolarHBondContact N-OG1 3.04Å; F371-T374 VanDerWaalsContact N-OG1 3.12Å; F371-T374 PolarHBondContact O-N 2.86Å; F371-T374 PolarHBondContact O-OG1 3.03Å; H372-T374 PolarHBondContact O-N 3.45Å; T374-S376 PolarHBondContact O-N 3.26Å; T374-F377 PolarHBondContact O-N 3.16Å; T374-L380 HydrophobicContact CG2-CD1 4.4Å; T374-L382 HydrophobicContact CG2-CB 4.09Å; T374-L382 HydrophobicContact CG2-CD2 3.72Å; T374-L382 HydrophobicContact CG2-CG 3.61Å; T374-S383 WeakPolarHBondContact O-CB 3.47Å; T374-S383 PolarHBondContact O-OG 3.27Å; T374-M386 HydrophobicContact CG2-SD 3.72Å
375F93.9Very high94.1Very high1 Ų134.6 Ų34.60%0.00418%0.18CC..THydrogen-bonded Turntrans-66.7-22.2178.3-169.4-95.6000112.9L127 I217 Y218 G373 S383 M386 K387 Y390L127-F375 HydrophobicContact CD1-CE1 3.86Å; L127-F375 HydrophobicContact CD1-CZ 3.92Å; L127-F375 HydrophobicContact CD2-CD1 4.38Å; L127-F375 HydrophobicContact CD2-CE1 3.53Å; L127-F375 HydrophobicContact CD2-CZ 4.33Å; L127-F375 HydrophobicContact CG-CE1 4.34Å; I217-F375 HydrophobicContact CD1-CD1 3.9Å; I217-F375 HydrophobicContact CD1-CD2 4.49Å; I217-F375 HydrophobicContact CD1-CE1 3.47Å; I217-F375 VanDerWaalsContact CD1-CE1 3.47Å; I217-F375 HydrophobicContact CD1-CE2 4.13Å; I217-F375 HydrophobicContact CD1-CG 4.39Å; I217-F375 HydrophobicContact CD1-CZ 3.61Å; I217-F375 HydrophobicContact CG2-CB 3.89Å; I217-F375 HydrophobicContact CG2-CD1 4.29Å; I217-F375 HydrophobicContact CG2-CD2 4.15Å; I217-F375 HydrophobicContact CG2-CG 3.9Å; Y218-F375 HydrophobicContact CE1-CB 3.56Å; Y218-F375 VanDerWaalsContact OH-CB 3.3Å; Y218-F375 WeakPolarHBondContact OH-CB 3.35Å; G373-F375 PolarHBondContact O-N 2.96Å; F375-S383 PolarHBondContact O-OG 3.15Å; F375-M386 HydrophobicContact CB-CE 4.12Å; F375-M386 HydrophobicContact CD2-CB 3.89Å; F375-M386 HydrophobicContact CD2-CE 4.42Å; F375-M386 HydrophobicContact CE2-CB 4.49Å; F375-K387 HydrophobicContact CD2-CG 4.02Å; F375-K387 HydrophobicContact CE1-CG 4.37Å; F375-K387 HydrophobicContact CE2-CB 4.25Å; F375-K387 HydrophobicContact CE2-CG 3.73Å; F375-K387 HydrophobicContact CG-CG 4.47Å; F375-K387 HydrophobicContact CZ-CG 3.91Å; F375-K387 WeakPolarHBondContact O-CE 3.49Å; F375-K387 PolarHBondContact O-NZ 2.81Å; F375-Y390 HydrophobicContact CE2-CD1 4.21Å; F375-Y390 HydrophobicContact CE2-CG 4.04Å; F375-Y390 AromaticContact CZ-CD1 3.64Å; F375-Y390 HydrophobicContact CZ-CD1 3.64Å; F375-Y390 HydrophobicContact CZ-CD2 4.47Å; F375-Y390 HydrophobicContact CZ-CE1 4.1Å; F375-Y390 AromaticContact CZ-CG 3.83Å; F375-Y390 HydrophobicContact CZ-CG 3.83Å
376S90.5Very high94.1Very high18 Ų1832.4 Ų32.413%0.12617%0.17CC..THydrogen-bonded Turntrans-101.1-13.5-177.6-62.30000113.5S123 D187 G373 T374 P378S123-S376 WeakPolarHBondContact CB-O 3.22Å; D187-S376 PolarHBondContact OD2-OG 3.33Å; G373-S376 PolarHBondContact O-N 3.2Å; T374-S376 PolarHBondContact O-N 3.26Å; S376-P378 WeakPolarHBondContact O-CD 3.45Å
377F88.9Confident94Very high29 Ų2932.1 Ų32.113%0.12717%0.168CC..  trans-76.1117179-71.2-58.4000112.9E35 V239 F371 G373 T374 L380 S383E35-F377 HydrophobicContact CB-CD1 4.28Å; E35-F377 HydrophobicContact CB-CE1 4.04Å; E35-F377 HydrophobicContact CB-CZ 4.29Å; E35-F377 VanDerWaalsContact CD-CD1 3.5Å; E35-F377 HydrophobicContact CG-CD1 3.86Å; E35-F377 HydrophobicContact CG-CE1 4.11Å; E35-F377 HydrophobicContact CG-CG 4.24Å; E35-F377 WeakPolarHBondContact OE2-CD1 3.4Å; E35-F377 WeakPolarHBondContact OE2-CE1 3.34Å; V239-F377 HydrophobicContact CB-CE2 4.46Å; V239-F377 HydrophobicContact CB-CZ 4.46Å; V239-F377 HydrophobicContact CG1-CE2 4.13Å; V239-F377 HydrophobicContact CG1-CZ 3.88Å; V239-F377 HydrophobicContact CG2-CE2 3.74Å; V239-F377 HydrophobicContact CG2-CZ 3.74Å; F371-F377 AromaticContact CE2-CD2 3.78Å; F371-F377 HydrophobicContact CE2-CD2 3.78Å; F371-F377 AromaticContact CE2-CE2 3.7Å; F371-F377 HydrophobicContact CE2-CE2 3.7Å; F371-F377 HydrophobicContact CZ-CD2 4.25Å; G373-F377 WeakPolarHBondContact O-CD2 3.5Å; G373-F377 PolarHBondContact O-N 3.25Å; T374-F377 PolarHBondContact O-N 3.16Å; F377-L380 HydrophobicContact CB-CD1 3.67Å; F377-L380 HydrophobicContact CB-CG 4.15Å; F377-L380 HydrophobicContact CD2-CD1 4.34Å; F377-L380 HydrophobicContact CG-CD1 4.33Å; F377-S383 WeakPolarHBondContact O-CB 3.17Å; F377-S383 PolarHBondContact O-OG 3.4Å; F377-S383 VanDerWaalsContact O-OG 3.04Å
378P83.7Confident93.9Very high66 Ų6634.8 Ų34.843%0.42918%0.182SC..THydrogen-bonded Turntrans-69.3148.2177.429.9-33.7000111.5F122 S376 L380F122-P378 HydrophobicContact CE1-CB 4.31Å; S376-P378 WeakPolarHBondContact O-CD 3.45Å; P378-L380 VanDerWaalsContact C-N 3.29Å; P378-L380 PolarHBondContact O-N 2.62Å
379G87.2Confident94Very high47 Ų4733.9 Ų33.949%0.48518%0.178SC..THydrogen-bonded Turntrans77.7-0.2171.800000116.7K31K31-G379 PolarHBondContact NZ-O 2.82Å
380L93.1Very high94.1Very high5 Ų532.6 Ų32.63%0.02617%0.171CC..  trans-83.3130.4166.7-64.3-177.3000110.4K31 V32 F371 T374 F377 P378 L382 S383 E384K31-L380 HydrophobicContact CB-CD2 3.47Å; K31-L380 VanDerWaalsContact CB-CD2 3.47Å; K31-L380 HydrophobicContact CD-CD2 3.67Å; K31-L380 HydrophobicContact CG-CD2 4.22Å; V32-L380 HydrophobicContact CG2-CD2 4.48Å; F371-L380 HydrophobicContact CE1-CD1 4.46Å; F371-L380 HydrophobicContact CZ-CD1 3.8Å; T374-L380 HydrophobicContact CG2-CD1 4.4Å; F377-L380 HydrophobicContact CB-CD1 3.67Å; F377-L380 HydrophobicContact CB-CG 4.15Å; F377-L380 HydrophobicContact CD2-CD1 4.34Å; F377-L380 HydrophobicContact CG-CD1 4.33Å; P378-L380 VanDerWaalsContact C-N 3.29Å; P378-L380 PolarHBondContact O-N 2.62Å; L380-L382 PolarHBondContact O-N 2.85Å; L380-S383 WeakPolarHBondContact O-CB 3.49Å; L380-S383 PolarHBondContact O-N 3.02Å; L380-S383 VanDerWaalsContact O-N 3.09Å; L380-E384 PolarHBondContact O-N 3.06Å
381K95Very high94.2Very high121 Ų12132.7 Ų32.753%0.52617%0.172SC..Hα-helixtrans-57.9-38.5174.2-70.1178.4-177.4178.30111.4E28 E384 R385E28-K381 WeakPolarHBondContact OE2-CB 3Å; E28-K381 WeakPolarHBondContact OE2-CG 3.05Å; E28-K381 PolarHBondContact OE2-N 3.01Å; K381-E384 PolarHBondContact O-N 3.27Å; K381-R385 WeakPolarHBondContact O-CG 3.47Å; K381-R385 PolarHBondContact O-N 3.01Å
382L95.4Very high94.3Very high10 Ų1036.1 Ų36.15%0.05220%0.196CC..Hα-helixtrans-62.8-41.6177.1179.952.9000112.2V367 D369 T374 L380 E384 R385 M386V367-L382 HydrophobicContact CG1-CD1 3.67Å; V367-L382 HydrophobicContact CG1-CD2 4.39Å; V367-L382 HydrophobicContact CG1-CG 4.48Å; D369-L382 HydrophobicContact CB-CD2 4.33Å; D369-L382 WeakPolarHBondContact O-CD2 3.48Å; D369-L382 WeakPolarHBondContact OD1-CD1 3.4Å; T374-L382 HydrophobicContact CG2-CB 4.09Å; T374-L382 HydrophobicContact CG2-CD2 3.72Å; T374-L382 HydrophobicContact CG2-CG 3.61Å; L380-L382 PolarHBondContact O-N 2.85Å; L382-E384 VanDerWaalsContact C-N 3.33Å; L382-E384 PolarHBondContact O-N 2.71Å; L382-R385 VanDerWaalsContact CD1-NH2 3.35Å; L382-R385 PolarHBondContact O-N 2.95Å; L382-M386 HydrophobicContact CD1-CG 4.04Å; L382-M386 HydrophobicContact CD1-SD 4.23Å; L382-M386 HydrophobicContact CG-CG 4.46Å; L382-M386 HydrophobicContact CG-SD 4.12Å; L382-M386 VanDerWaalsContact O-CG 3.29Å; L382-M386 WeakPolarHBondContact O-CG 3.41Å; L382-M386 PolarHBondContact O-N 3.19Å
383S95.5Very high94.3Very high1 Ų136.5 Ų36.51%0.00720%0.197CC..Hα-helixtrans-57.8-46.5174-170.60000111.3T374 F375 F377 L380 R385 M386 K387T374-S383 WeakPolarHBondContact O-CB 3.47Å; T374-S383 PolarHBondContact O-OG 3.27Å; F375-S383 PolarHBondContact O-OG 3.15Å; F377-S383 WeakPolarHBondContact O-CB 3.17Å; F377-S383 PolarHBondContact O-OG 3.4Å; F377-S383 VanDerWaalsContact O-OG 3.04Å; L380-S383 WeakPolarHBondContact O-CB 3.49Å; L380-S383 PolarHBondContact O-N 3.02Å; L380-S383 VanDerWaalsContact O-N 3.09Å; S383-R385 PolarHBondContact O-N 3.37Å; S383-M386 PolarHBondContact O-N 3.44Å; S383-K387 WeakPolarHBondContact O-CB 3.49Å; S383-K387 VanDerWaalsContact O-CG 3.29Å; S383-K387 WeakPolarHBondContact O-CG 3.33Å; S383-K387 PolarHBondContact O-N 3.16Å; S383-K387 VanDerWaalsContact OG-CE 3.31Å; S383-K387 WeakPolarHBondContact OG-CE 3.4Å; S383-K387 PolarHBondContact OG-NZ 2.84Å
384E94.7Very high94.5Very high104 Ų10436 Ų3649%0.48619%0.192SC..Hα-helixtrans-62.9-42.2177.8-66.3-179.8177.600112.5L380 K381 L382 N388L380-E384 PolarHBondContact O-N 3.06Å; K381-E384 PolarHBondContact O-N 3.27Å; L382-E384 VanDerWaalsContact C-N 3.33Å; L382-E384 PolarHBondContact O-N 2.71Å; E384-N388 WeakPolarHBondContact O-CB 3.44Å; E384-N388 PolarHBondContact O-N 2.66Å; E384-N388 PolarHBondContact O-ND2 3.14Å
385R95.9Very high94.6Very high98 Ų9839.6 Ų39.637%0.3721%0.21SC..Hα-helixtrans-59.6-50.3174.3-71.8-164.3-58.7-926.4111.3E27 D369 K381 L382 S383 K387 N388 Q389E27-R385 IonicContact OE1-CZ 3.62Å; E27-R385 IonicContact OE1-NH1 4Å; E27-R385 IonicContact OE1-NH2 2.85Å; E27-R385 PolarHBondContact OE1-NH2 2.77Å; E27-R385 IonicContact OE2-CZ 3.31Å; E27-R385 IonicContact OE2-NH1 3.75Å; E27-R385 PolarHBondContact OE2-NH1 3.24Å; E27-R385 IonicContact OE2-NH2 2.65Å; E27-R385 PolarHBondContact OE2-NH2 2.94Å; D369-R385 IonicContact OD2-CZ 3.63Å; D369-R385 IonicContact OD2-NH2 2.68Å; D369-R385 PolarHBondContact OD2-NH2 3.19Å; K381-R385 WeakPolarHBondContact O-CG 3.47Å; K381-R385 PolarHBondContact O-N 3.01Å; L382-R385 VanDerWaalsContact CD1-NH2 3.35Å; L382-R385 PolarHBondContact O-N 2.95Å; S383-R385 PolarHBondContact O-N 3.37Å; R385-K387 PolarHBondContact O-N 3.44Å; R385-N388 PolarHBondContact O-N 2.68Å; R385-Q389 PolarHBondContact O-N 3.45Å
386M97.3Very high94.8Very high2 Ų248.1 Ų48.11%0.0125%0.247CC..Hα-helixtrans-60.2-45.7-179.9-68.3172.672.400111.5Y218 I337 V367 T374 F375 L382 S383 Q389 Y390Y218-M386 HydrophobicContact CD1-CE 4.39Å; Y218-M386 HydrophobicContact CE1-CE 4.3Å; I337-M386 HydrophobicContact CG2-CE 3.87Å; V367-M386 HydrophobicContact CG1-CG 4.38Å; V367-M386 HydrophobicContact CG1-SD 4.31Å; V367-M386 HydrophobicContact CG2-CE 4.16Å; V367-M386 HydrophobicContact CG2-CG 4.2Å; V367-M386 HydrophobicContact CG2-SD 4.44Å; T374-M386 HydrophobicContact CG2-SD 3.72Å; F375-M386 HydrophobicContact CB-CE 4.12Å; F375-M386 HydrophobicContact CD2-CB 3.89Å; F375-M386 HydrophobicContact CD2-CE 4.42Å; F375-M386 HydrophobicContact CE2-CB 4.49Å; L382-M386 HydrophobicContact CD1-CG 4.04Å; L382-M386 HydrophobicContact CD1-SD 4.23Å; L382-M386 HydrophobicContact CG-CG 4.46Å; L382-M386 HydrophobicContact CG-SD 4.12Å; L382-M386 VanDerWaalsContact O-CG 3.29Å; L382-M386 WeakPolarHBondContact O-CG 3.41Å; L382-M386 PolarHBondContact O-N 3.19Å; S383-M386 PolarHBondContact O-N 3.44Å; M386-Q389 PolarHBondContact O-N 2.79Å; M386-Y390 WeakPolarHBondContact O-CB 3.37Å; M386-Y390 PolarHBondContact O-N 3.22Å
387K96.6Very high95.2Very high19 Ų1948 Ų488%0.08325%0.245CC..Hα-helixtrans-63.2-44.5176.6-70.8172-173.5166.90112.3L127 W130 F375 S383 R385 Q389 Y390 L391L127-K387 HydrophobicContact CD1-CD 4.41Å; L127-K387 HydrophobicContact CD1-CG 4.23Å; W130-K387 HydrophobicContact CE3-CB 4.08Å; W130-K387 HydrophobicContact CE3-CD 4.17Å; W130-K387 HydrophobicContact CH2-CB 4.1Å; W130-K387 HydrophobicContact CZ3-CB 3.32Å; W130-K387 HydrophobicContact CZ3-CD 3.74Å; W130-K387 HydrophobicContact CZ3-CG 4.12Å; F375-K387 HydrophobicContact CD2-CG 4.02Å; F375-K387 HydrophobicContact CE1-CG 4.37Å; F375-K387 HydrophobicContact CE2-CB 4.25Å; F375-K387 HydrophobicContact CE2-CG 3.73Å; F375-K387 HydrophobicContact CG-CG 4.47Å; F375-K387 HydrophobicContact CZ-CG 3.91Å; F375-K387 WeakPolarHBondContact O-CE 3.49Å; F375-K387 PolarHBondContact O-NZ 2.81Å; S383-K387 WeakPolarHBondContact O-CB 3.49Å; S383-K387 VanDerWaalsContact O-CG 3.29Å; S383-K387 WeakPolarHBondContact O-CG 3.33Å; S383-K387 PolarHBondContact O-N 3.16Å; S383-K387 VanDerWaalsContact OG-CE 3.31Å; S383-K387 WeakPolarHBondContact OG-CE 3.4Å; S383-K387 PolarHBondContact OG-NZ 2.84Å; R385-K387 PolarHBondContact O-N 3.44Å; K387-Q389 VanDerWaalsContact C-N 3.3Å; K387-Q389 PolarHBondContact O-N 3.34Å; K387-Y390 PolarHBondContact O-N 3.08Å; K387-L391 WeakPolarHBondContact O-CB 3.47Å; K387-L391 VanDerWaalsContact O-CG 3.24Å; K387-L391 WeakPolarHBondContact O-CG 3.04Å; K387-L391 PolarHBondContact O-N 2.92Å
388N96Very high95.5Very high61 Ų6146.9 Ų46.933%0.32624%0.24SC..Hα-helixtrans-60.7-40.4177.5-81.7-45.6000112W130 K134 E384 R385 S392W130-N388 WeakPolarHBondContact CH2-OD1 3.02Å; W130-N388 WeakPolarHBondContact CZ2-OD1 3.41Å; K134-N388 PolarHBondContact NZ-OD1 2.71Å; K134-N388 VanDerWaalsContact NZ-OD1 3.1Å; E384-N388 WeakPolarHBondContact O-CB 3.44Å; E384-N388 PolarHBondContact O-N 2.66Å; E384-N388 PolarHBondContact O-ND2 3.14Å; R385-N388 PolarHBondContact O-N 2.68Å; N388-S392 VanDerWaalsContact O-CB 3.3Å; N388-S392 WeakPolarHBondContact O-CB 3.01Å; N388-S392 PolarHBondContact O-N 3.42Å; N388-S392 PolarHBondContact O-OG 3.08Å
389Q96.5Very high96.1Very high77 Ų7745.9 Ų45.936%0.3623%0.231SC..Hα-helixtrans-69.1-42.9177.1-173170.6-5.500112.5H365 R385 M386 K387 S392 W393H365-Q389 PolarHBondContact CD2-NE2 3.31Å; H365-Q389 VanDerWaalsContact CD2-NE2 3.29Å; H365-Q389 PolarHBondContact CE1-NE2 3.1Å; H365-Q389 VanDerWaalsContact CE1-NE2 3.26Å; H365-Q389 PolarHBondContact CE1-OE1 3.42Å; H365-Q389 PolarHBondContact ND1-NE2 2.98Å; H365-Q389 VanDerWaalsContact ND1-NE2 3.11Å; H365-Q389 PolarHBondContact ND1-OE1 3.04Å; H365-Q389 VanDerWaalsContact ND1-OE1 3.08Å; H365-Q389 PolarHBondContact NE2-NE2 2.7Å; H365-Q389 PolarHBondContact NE2-OE1 3.39Å; R385-Q389 PolarHBondContact O-N 3.45Å; M386-Q389 PolarHBondContact O-N 2.79Å; K387-Q389 VanDerWaalsContact C-N 3.3Å; K387-Q389 PolarHBondContact O-N 3.34Å; Q389-S392 PolarHBondContact O-N 2.87Å; Q389-W393 PolarHBondContact O-N 3.08Å
390Y98.1Very high96.5Very high0 Ų045.8 Ų45.80%022%0.218CC..Hα-helixtrans-55.7-50.6171.8163.2-103.2000111.9L106 L127 S185 A215 I217 Y335 F375 M386 K387 S392 W393 L394L106-Y390 WeakPolarHBondContact CD2-OH 3.4Å; L127-Y390 HydrophobicContact CD1-CE1 4.39Å; S185-Y390 VanDerWaalsContact CB-OH 3.31Å; S185-Y390 WeakPolarHBondContact CB-OH 3.45Å; S185-Y390 WeakPolarHBondContact OG-CE2 3.19Å; S185-Y390 PolarHBondContact OG-OH 3.38Å; A215-Y390 HydrophobicContact CB-CD2 4.31Å; A215-Y390 HydrophobicContact CB-CE2 3.7Å; I217-Y390 HydrophobicContact CD1-CD2 4.34Å; I217-Y390 HydrophobicContact CD1-CE2 4.23Å; Y335-Y390 HydrophobicContact CD1-CD2 4.14Å; Y335-Y390 HydrophobicContact CE1-CD2 4.09Å; F375-Y390 HydrophobicContact CE2-CD1 4.21Å; F375-Y390 HydrophobicContact CE2-CG 4.04Å; F375-Y390 AromaticContact CZ-CD1 3.64Å; F375-Y390 HydrophobicContact CZ-CD1 3.64Å; F375-Y390 HydrophobicContact CZ-CD2 4.47Å; F375-Y390 HydrophobicContact CZ-CE1 4.1Å; F375-Y390 AromaticContact CZ-CG 3.83Å; F375-Y390 HydrophobicContact CZ-CG 3.83Å; M386-Y390 WeakPolarHBondContact O-CB 3.37Å; M386-Y390 PolarHBondContact O-N 3.22Å; K387-Y390 PolarHBondContact O-N 3.08Å; Y390-S392 VanDerWaalsContact C-N 3.34Å; Y390-S392 PolarHBondContact O-N 2.83Å; Y390-W393 PolarHBondContact O-N 3.44Å; Y390-L394 HydrophobicContact CD1-CD1 4.27Å; Y390-L394 HydrophobicContact CD2-CD1 4.33Å; Y390-L394 HydrophobicContact CE1-CD1 3.62Å; Y390-L394 HydrophobicContact CE2-CD1 3.68Å; Y390-L394 HydrophobicContact CE2-CG 4.14Å; Y390-L394 PolarHBondContact O-N 3.09Å; Y390-L394 WeakPolarHBondContact OH-CD1 3.11Å
391L97.6Very high96.7Very high2 Ų248.1 Ų48.11%0.0123%0.228CC..Hα-helixtrans-63.6-39.7178-67.2172.9000111.8W130 T131 K134 L135 K387 W393 L394 I395W130-L391 HydrophobicContact CD2-CD1 3.44Å; W130-L391 VanDerWaalsContact CD2-CD1 3.44Å; W130-L391 HydrophobicContact CE3-CD1 3.6Å; W130-L391 HydrophobicContact CG-CD1 3.97Å; W130-L391 HydrophobicContact CH2-CD1 4.22Å; W130-L391 HydrophobicContact CZ2-CD1 4.12Å; W130-L391 HydrophobicContact CZ3-CD1 4.01Å; T131-L391 HydrophobicContact CG2-CD2 4.02Å; T131-L391 WeakPolarHBondContact OG1-CD2 3.16Å; K134-L391 HydrophobicContact CD-CD1 3.91Å; L135-L391 HydrophobicContact CD1-CB 4.34Å; L135-L391 HydrophobicContact CD1-CD2 3.69Å; K387-L391 WeakPolarHBondContact O-CB 3.47Å; K387-L391 VanDerWaalsContact O-CG 3.24Å; K387-L391 WeakPolarHBondContact O-CG 3.04Å; K387-L391 PolarHBondContact O-N 2.92Å; L391-W393 VanDerWaalsContact C-N 3.33Å; L391-W393 PolarHBondContact O-N 2.83Å; L391-L394 PolarHBondContact O-N 2.99Å; L391-I395 WeakPolarHBondContact O-CB 3.47Å; L391-I395 VanDerWaalsContact O-CG1 3.24Å; L391-I395 WeakPolarHBondContact O-CG1 3.45Å; L391-I395 PolarHBondContact O-N 2.77Å
392S97.8Very high96.8Very high74 Ų7443.8 Ų43.852%0.51721%0.211SC..Hα-helixtrans-62.4-40.7176.3-61.10000111.8N388 Q389 Y390 K396N388-S392 VanDerWaalsContact O-CB 3.3Å; N388-S392 WeakPolarHBondContact O-CB 3.01Å; N388-S392 PolarHBondContact O-N 3.42Å; N388-S392 PolarHBondContact O-OG 3.08Å; Q389-S392 PolarHBondContact O-N 2.87Å; Y390-S392 VanDerWaalsContact C-N 3.34Å; Y390-S392 PolarHBondContact O-N 2.83Å; S392-K396 PolarHBondContact O-N 3.28Å
393W98.5Very high96.9Very high21 Ų2145.9 Ų45.98%0.0822%0.221CC..Hα-helixtrans-64.5-44.6175.3-172.693.1000111.6V213 K333 Y335 T363 Q389 Y390 L391 K396 N397V213-W393 HydrophobicContact CB-CH2 3.79Å; V213-W393 HydrophobicContact CB-CZ3 3.82Å; V213-W393 HydrophobicContact CG1-CH2 3.75Å; V213-W393 HydrophobicContact CG1-CZ3 3.92Å; V213-W393 HydrophobicContact CG2-CZ3 4.17Å; K333-W393 HydrophobicContact CD-CH2 4.31Å; K333-W393 HydrophobicContact CD-CZ2 3.83Å; K333-W393 HydrophobicContact CG-CH2 4.16Å; K333-W393 HydrophobicContact CG-CZ2 3.84Å; Y335-W393 HydrophobicContact CD1-CB 4.47Å; Y335-W393 HydrophobicContact CD1-CD2 4.24Å; Y335-W393 HydrophobicContact CD1-CE3 4.26Å; Y335-W393 HydrophobicContact CD1-CG 4.33Å; Y335-W393 AromaticContact CD2-CD1 3.84Å; Y335-W393 HydrophobicContact CD2-CD2 4.08Å; Y335-W393 AromaticContact CD2-CG 3.93Å; Y335-W393 HydrophobicContact CD2-CG 3.93Å; Y335-W393 AromaticContact CD2-NE1 3.94Å; Y335-W393 HydrophobicContact CE1-CB 4.4Å; Y335-W393 HydrophobicContact CE2-CG 4.27Å; Y335-W393 AromaticContact CG-CD2 3.76Å; Y335-W393 HydrophobicContact CG-CD2 3.76Å; Y335-W393 HydrophobicContact CG-CE3 4.04Å; Y335-W393 AromaticContact CG-CG 3.98Å; Y335-W393 HydrophobicContact CG-CG 3.98Å; T363-W393 PolarHBondContact OG1-NE1 2.82Å; Q389-W393 PolarHBondContact O-N 3.08Å; Y390-W393 PolarHBondContact O-N 3.44Å; L391-W393 VanDerWaalsContact C-N 3.33Å; L391-W393 PolarHBondContact O-N 2.83Å; W393-K396 PolarHBondContact O-N 3.14Å; W393-N397 HydrophobicContact CD2-CB 4.37Å; W393-N397 VanDerWaalsContact CE2-ND2 3.29Å; W393-N397 HydrophobicContact CE3-CB 4.3Å; W393-N397 HydrophobicContact CH2-CB 4.1Å; W393-N397 HydrophobicContact CZ2-CB 4.16Å; W393-N397 HydrophobicContact CZ3-CB 4.17Å; W393-N397 PolarHBondContact NE1-ND2 3.21Å; W393-N397 WeakPolarHBondContact O-CB 3.37Å; W393-N397 PolarHBondContact O-N 3.31Å; W393-N397 VanDerWaalsContact O-N 3.09Å; W393-N397 PolarHBondContact O-ND2 3.15Å
394L98.4Very high97Very high0 Ų048.9 Ų48.90%024%0.235CC..Hα-helixtrans-63.9-42.5176.9-72.1177.4000112.4L106 L135 V213 Y390 L391 K396 N397 L398L106-L394 HydrophobicContact CD1-CD2 4.49Å; L106-L394 HydrophobicContact CD2-CD1 4.16Å; L135-L394 HydrophobicContact CD2-CB 3.59Å; L135-L394 HydrophobicContact CD2-CD1 3.88Å; L135-L394 HydrophobicContact CD2-CG 4.39Å; L135-L394 HydrophobicContact CG-CB 4.48Å; V213-L394 HydrophobicContact CG2-CD2 4.08Å; Y390-L394 HydrophobicContact CD1-CD1 4.27Å; Y390-L394 HydrophobicContact CD2-CD1 4.33Å; Y390-L394 HydrophobicContact CE1-CD1 3.62Å; Y390-L394 HydrophobicContact CE2-CD1 3.68Å; Y390-L394 HydrophobicContact CE2-CG 4.14Å; Y390-L394 PolarHBondContact O-N 3.09Å; Y390-L394 WeakPolarHBondContact OH-CD1 3.11Å; L391-L394 PolarHBondContact O-N 2.99Å; L394-K396 PolarHBondContact O-N 3.33Å; L394-N397 PolarHBondContact O-N 2.61Å; L394-N397 VanDerWaalsContact O-N 3.16Å; L394-L398 VanDerWaalsContact O-CB 3.24Å; L394-L398 WeakPolarHBondContact O-CB 3.48Å; L394-L398 PolarHBondContact O-N 3.14Å
395I97.1Very high97.2Very high76 Ų7645 Ų4539%0.3922%0.217SC..Hα-helixtrans-55-39.9177.4-74.5164.4000111.3R104 L135 L391R104-I395 PolarHBondContact NH2-O 3.05Å; L135-I395 HydrophobicContact CD1-CD1 4.22Å; L135-I395 HydrophobicContact CD1-CG1 3.76Å; L135-I395 HydrophobicContact CG-CG1 3.89Å; L391-I395 WeakPolarHBondContact O-CB 3.47Å; L391-I395 VanDerWaalsContact O-CG1 3.24Å; L391-I395 WeakPolarHBondContact O-CG1 3.45Å; L391-I395 PolarHBondContact O-N 2.77Å
396K97.4Very high97.3Very high179 Ų17940.9 Ų40.978%0.77821%0.205SC*.Hα-helixtrans-76.7-32.4-179-175.1176.4179.4179.90113.3S392 W393 L394S392-K396 PolarHBondContact O-N 3.28Å; W393-K396 PolarHBondContact O-N 3.14Å; L394-K396 PolarHBondContact O-N 3.33Å
397N98Very high97.3Very high17 Ų1744.2 Ų44.29%0.09122%0.221CC..Hα-helixtrans-110.1-22.1-167.6-68.5-76.1000114.6K212 V213 K333 W393 L394K212-N397 WeakPolarHBondContact CD-O 3.29Å; K212-N397 WeakPolarHBondContact CE-O 3.32Å; V213-N397 HydrophobicContact CG1-CB 4Å; K333-N397 HydrophobicContact CD-CB 4.15Å; K333-N397 WeakPolarHBondContact CD-OD1 3.49Å; K333-N397 PolarHBondContact NZ-OD1 3.37Å; W393-N397 HydrophobicContact CD2-CB 4.37Å; W393-N397 VanDerWaalsContact CE2-ND2 3.29Å; W393-N397 HydrophobicContact CE3-CB 4.3Å; W393-N397 HydrophobicContact CH2-CB 4.1Å; W393-N397 HydrophobicContact CZ2-CB 4.16Å; W393-N397 HydrophobicContact CZ3-CB 4.17Å; W393-N397 PolarHBondContact NE1-ND2 3.21Å; W393-N397 WeakPolarHBondContact O-CB 3.37Å; W393-N397 PolarHBondContact O-N 3.31Å; W393-N397 VanDerWaalsContact O-N 3.09Å; W393-N397 PolarHBondContact O-ND2 3.15Å; L394-N397 PolarHBondContact O-N 2.61Å; L394-N397 VanDerWaalsContact O-N 3.16Å
398L95.6Very high97.4Very high4 Ų446.5 Ų46.52%0.02123%0.234CC..  trans-95.60177-167.157.9000110.3R104 L106 R181 K212 V213 L394R104-L398 HydrophobicContact CB-CD2 4.01Å; R104-L398 HydrophobicContact CB-CG 4Å; R104-L398 HydrophobicContact CG-CD2 4.4Å; R104-L398 HydrophobicContact CG-CG 3.97Å; R104-L398 PolarHBondContact NE-OXT 3.29Å; R104-L398 PolarHBondContact NH2-OXT 3.46Å; L106-L398 HydrophobicContact CD1-CD2 4.38Å; R181-L398 VanDerWaalsContact C-CD1 3.49Å; R181-L398 PolarHBondContact NE-O 3.17Å; R181-L398 PolarHBondContact NH2-O 3.05Å; R181-L398 PolarHBondContact NH2-OXT 2.94Å; R181-L398 VanDerWaalsContact O-CD1 3.26Å; R181-L398 WeakPolarHBondContact O-CD1 3.27Å; K212-L398 HydrophobicContact CB-CD1 4.3Å; K212-L398 HydrophobicContact CD-CD1 4.3Å; K212-L398 PolarHBondContact NZ-O 2.94Å; V213-L398 HydrophobicContact CG2-CD1 4.02Å; L394-L398 VanDerWaalsContact O-CB 3.24Å; L394-L398 WeakPolarHBondContact O-CB 3.48Å; L394-L398 PolarHBondContact O-N 3.14Å

Retrieved 398 of 398 residues in 313 ms (Link to these results)

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