A0A060XYG5_ONCMY Loading...

3-ketoacyl-[acyl-carrier-protein] reductase beta subunit

AlphaFold DB , UniProt , Accession A0A060XYG5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 238 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M56.7Low92.4Very high243 Ų24343.8 Ų43.8100%1.19723%0.227SC*.  0133.40-71.7177.9-178.200107.6
2S79.6Confident92.8Very high69 Ų6950.8 Ų50.848%0.48325%0.248SC..PPolyproline II helixtrans-63.7145.5176520000110.4L4 D26S2-L4 PolarHBondContact O-N 3.33Å; S2-D26 WeakPolarHBondContact CB-O 3.5Å
3R93.5Very high93.1Very high130 Ų13048.7 Ų48.749%0.49125%0.247SC..PPolyproline II helixtrans-69.9126.1177.4-70.7179.5-176.3147.34.4109.1R28 Y80R3-R28 PolarHBondContact O-N 3.33Å; R3-Y80 PolarHBondContact NH1-OH 3.02Å
4L97.8Very high93.5Very high5 Ų546.5 Ų46.53%0.02624%0.236CC..EExtended strand (participates in β ladder)trans-78.6124.4172.1177.864.3000110S2 R28 A30 I71 C75 G76 N77 V78 S79 Y80S2-L4 PolarHBondContact O-N 3.33Å; L4-R28 WeakPolarHBondContact CA-O 3.46Å; L4-R28 HydrophobicContact CD1-CB 4.22Å; L4-R28 HydrophobicContact CD1-CG 4.01Å; L4-A30 HydrophobicContact CD1-CB 4.42Å; L4-I71 HydrophobicContact CD2-CG2 3.95Å; L4-C75 HydrophobicContact CD1-CB 3.68Å; L4-C75 HydrophobicContact CD2-CB 3.53Å; L4-C75 HydrophobicContact CG-CB 4.26Å; L4-G76 WeakPolarHBondContact CD2-O 3.41Å; L4-N77 WeakPolarHBondContact CB-O 3.44Å; L4-V78 HydrophobicContact CD2-CG2 4.28Å; L4-S79 WeakPolarHBondContact O-CA 3.45Å; L4-S79 WeakPolarHBondContact O-CB 3.38Å; L4-S79 PolarHBondContact O-N 2.98Å; L4-Y80 PolarHBondContact O-N 3.5Å; L4-Y80 VanDerWaalsContact O-N 3.13Å
5C98.6Very high93.8Very high1 Ų143.5 Ų43.51%0.00722%0.222CC..EExtended strand (participates in β ladder)trans-119.2125.1-179.8-540000110.1L22 C27 R28 V29 A30 Y80C5-L22 HydrophobicContact CB-CD1 3.76Å; C5-L22 HydrophobicContact CB-CD2 4.33Å; C5-C27 VanDerWaalsContact SG-CB 3.54Å; C5-R28 PolarHBondContact N-O 2.75Å; C5-V29 CarbonylContact O-C 3.49Å; C5-V29 WeakPolarHBondContact O-CA 3.18Å; C5-A30 PolarHBondContact O-N 3.02Å; C5-Y80 CarbonylContact C-O 3.6Å; C5-Y80 WeakPolarHBondContact CA-O 3.33Å; C5-Y80 VanDerWaalsContact SG-CD2 3.53Å
6V98.8Very high94.1Very high0 Ų048.4 Ų48.40%024%0.237CC..EExtended strand (participates in β ladder)trans-100.6126.5175.3-178.30000108.9A30 V32 F68 I71 V78 Y80 L81 V82V6-A30 WeakPolarHBondContact CA-O 3.24Å; V6-A30 HydrophobicContact CG2-CB 4.12Å; V6-V32 HydrophobicContact CG1-CG2 3.77Å; V6-F68 HydrophobicContact CG1-CE1 4.26Å; V6-F68 HydrophobicContact CG1-CZ 3.89Å; V6-F68 HydrophobicContact CG2-CE1 4.37Å; V6-I71 HydrophobicContact CG1-CD1 4.31Å; V6-I71 HydrophobicContact CG2-CD1 4.44Å; V6-I71 HydrophobicContact CG2-CG2 4.06Å; V6-V78 HydrophobicContact CB-CG1 4.41Å; V6-V78 HydrophobicContact CG2-CB 4.42Å; V6-V78 HydrophobicContact CG2-CG1 3.81Å; V6-V78 HydrophobicContact CG2-CG2 3.74Å; V6-Y80 PolarHBondContact N-O 3.4Å; V6-L81 HydrophobicContact CB-CD1 4.01Å; V6-L81 HydrophobicContact CG1-CD1 4.05Å; V6-L81 CarbonylContact O-C 3.34Å; V6-L81 WeakPolarHBondContact O-CA 3.29Å; V6-V82 PolarHBondContact O-N 3.32Å
7V98.9Very high94.4Very high0 Ų045.9 Ų45.90%023%0.225CC..EExtended strand (participates in β ladder)trans-117.899.7177.1-172.20000109.4G10 V18 L22 V29 A30 V32 V82V7-G10 PolarHBondContact O-N 3.04Å; V7-V18 HydrophobicContact CG1-CG1 4.48Å; V7-V18 HydrophobicContact CG2-CG1 4.22Å; V7-L22 HydrophobicContact CG2-CD1 3.68Å; V7-V29 HydrophobicContact CG2-CG1 4.16Å; V7-A30 PolarHBondContact N-O 3.1Å; V7-V32 PolarHBondContact O-N 3.09Å; V7-V82 HydrophobicContact CG1-CB 4.33Å; V7-V82 HydrophobicContact CG2-CB 4.44Å
8C98.8Very high94.6Very high0 Ų043.3 Ų43.30%021%0.213CC..EExtended strand (participates in β ladder)trans-75.7128173-65.30000109.9G10 V58 V82 A84 A85C8-G10 VanDerWaalsContact C-N 3.34Å; C8-V58 HydrophobicContact CB-CG1 4.22Å; C8-V82 PolarHBondContact N-O 3.48Å; C8-A84 CarbonylContact O-C 3.56Å; C8-A84 VanDerWaalsContact O-CA 3.31Å; C8-A84 WeakPolarHBondContact O-CA 3.38Å; C8-A84 WeakPolarHBondContact O-CB 3.42Å; C8-A84 PolarHBondContact O-N 3.44Å; C8-A85 HydrophobicContact CB-CB 4.42Å; C8-A85 PolarHBondContact O-N 3.18Å
9G98.2Very high94.8Very high16 Ų1641.1 Ų41.117%0.16520%0.202CC..THydrogen-bonded Turntrans77.122.2-168.600000112.9S11 V32G9-S11 PolarHBondContact O-N 2.74Å; G9-V32 WeakPolarHBondContact CA-O 3.49Å; G9-V32 PolarHBondContact N-O 2.96Å
10G98.1Very high95Very high0 Ų043.8 Ų43.80%021%0.21CC..THydrogen-bonded Turntrans-74.8-0.8-172.600000115.7V7 C8 R16 V32 T42V7-G10 PolarHBondContact O-N 3.04Å; C8-G10 VanDerWaalsContact C-N 3.34Å; G10-R16 VanDerWaalsContact O-CA 3.24Å; G10-R16 WeakPolarHBondContact O-CA 3.44Å; G10-R16 PolarHBondContact O-N 2.97Å; G10-V32 PolarHBondContact N-O 2.72Å; G10-T42 WeakPolarHBondContact O-CG2 3.38Å
11S97.7Very high95.2Very high18 Ų1843 Ų4313%0.12621%0.206CC..THydrogen-bonded Turntrans-82.7-14.8-173.655.20000115G9 S33 T42G9-S11 PolarHBondContact O-N 2.74Å; S11-S33 WeakPolarHBondContact CB-OG 3.37Å; S11-S33 WeakPolarHBondContact OG-CB 3.48Å; S11-S33 PolarHBondContact OG-OG 2.94Å; S11-T42 WeakPolarHBondContact CA-OG1 3.44Å; S11-T42 PolarHBondContact O-OG1 2.91Å
12R96.7Very high97.2Very high128 Ų12831.6 Ų31.648%0.48315%0.15SC..SBendtrans-156.5171.2-178.162.3177.1-177.7-180-0.2113.1G15 R16 D185R12-G15 PolarHBondContact O-N 3.41Å; R12-R16 PolarHBondContact O-N 2.91Å; R12-D185 WeakPolarHBondContact CD-OD2 3.29Å; R12-D185 IonicContact NH1-OD2 3.36Å; R12-D185 PolarHBondContact NH1-OD2 2.89Å
13G96.8Very high98Very high23 Ų2328.6 Ų28.624%0.23713%0.129CC..Hα-helixtrans50.7-135.6173.800000113.5G15 R16 A17G13-G15 VanDerWaalsContact C-N 3.31Å; G13-G15 PolarHBondContact O-N 3.28Å; G13-R16 PolarHBondContact O-N 2.9Å; G13-A17 PolarHBondContact O-N 2.99Å; G13-A17 VanDerWaalsContact O-N 3.12Å
14I98.4Very high98.2Very high18 Ų1827 Ų279%0.09213%0.127CC..Hα-helixtrans-55.8-44.9179.5-64.7162.8000111.4R16 A17 V18 I134 P179 I182 V210I14-R16 VanDerWaalsContact C-N 3.34Å; I14-R16 PolarHBondContact O-N 3.04Å; I14-A17 PolarHBondContact O-N 3.19Å; I14-V18 HydrophobicContact CG2-CG2 4.23Å; I14-V18 VanDerWaalsContact O-CG2 3.29Å; I14-V18 WeakPolarHBondContact O-CG2 3.37Å; I14-V18 PolarHBondContact O-N 3.08Å; I14-I134 HydrophobicContact CD1-CG2 4.41Å; I14-I134 HydrophobicContact CG2-CD1 4.42Å; I14-P179 HydrophobicContact CD1-CG 4.13Å; I14-I182 HydrophobicContact CD1-CG1 4.4Å; I14-I182 HydrophobicContact CD1-CG2 4.5Å; I14-I182 HydrophobicContact CG1-CG2 4.25Å; I14-V210 HydrophobicContact CD1-CG1 4.09Å; I14-V210 HydrophobicContact CD1-CG2 4.46Å; I14-V210 HydrophobicContact CG1-CB 4.26Å; I14-V210 HydrophobicContact CG1-CG1 4.14Å; I14-V210 HydrophobicContact CG1-CG2 4.39Å; I14-V210 HydrophobicContact CG2-CB 4.21Å; I14-V210 HydrophobicContact CG2-CG1 3.64Å
15G98.6Very high98Very high2 Ų232.2 Ų32.22%0.02115%0.147CC..Hα-helixtrans-61.3-40.9-17900000112.6R12 G13 V18 S19R12-G15 PolarHBondContact O-N 3.41Å; G13-G15 VanDerWaalsContact C-N 3.31Å; G13-G15 PolarHBondContact O-N 3.28Å; G15-V18 PolarHBondContact O-N 3.17Å; G15-S19 PolarHBondContact O-N 3.29Å; G15-S19 PolarHBondContact O-OG 3.43Å
16R98.6Very high97.8Very high122 Ų12238.9 Ų38.946%0.4618%0.183SC..Hα-helixtrans-65.1-43.3175.3-179.4173.3-179.1-164.31.2112.3G10 R12 G13 I14 V18 S19 R20 T42G10-R16 VanDerWaalsContact O-CA 3.24Å; G10-R16 WeakPolarHBondContact O-CA 3.44Å; G10-R16 PolarHBondContact O-N 2.97Å; R12-R16 PolarHBondContact O-N 2.91Å; G13-R16 PolarHBondContact O-N 2.9Å; I14-R16 VanDerWaalsContact C-N 3.34Å; I14-R16 PolarHBondContact O-N 3.04Å; R16-V18 VanDerWaalsContact C-N 3.31Å; R16-V18 PolarHBondContact O-N 3.01Å; R16-S19 PolarHBondContact O-N 3.23Å; R16-R20 PolarHBondContact O-N 3.3Å; R16-T42 HydrophobicContact CG-CG2 3.93Å
17A98.7Very high97.7Very high5 Ų539.5 Ų39.54%0.04119%0.187CC..Hα-helixtrans-62.4-39.2176.800000111.8G13 I14 R20 L21 P207 A211G13-A17 PolarHBondContact O-N 2.99Å; G13-A17 VanDerWaalsContact O-N 3.12Å; I14-A17 PolarHBondContact O-N 3.19Å; A17-R20 PolarHBondContact O-N 3.09Å; A17-L21 PolarHBondContact O-N 3.3Å; A17-P207 HydrophobicContact CB-CB 3.73Å; A17-A211 HydrophobicContact CB-CB 3.9Å
18V98.8Very high97.7Very high0 Ų041.9 Ų41.90%020%0.196CC..Hα-helixtrans-64.1-47.4173.41720000111.4V7 I14 G15 R16 R20 L21 L22 V82 A211 V214V7-V18 HydrophobicContact CG1-CG1 4.48Å; V7-V18 HydrophobicContact CG2-CG1 4.22Å; I14-V18 HydrophobicContact CG2-CG2 4.23Å; I14-V18 VanDerWaalsContact O-CG2 3.29Å; I14-V18 WeakPolarHBondContact O-CG2 3.37Å; I14-V18 PolarHBondContact O-N 3.08Å; G15-V18 PolarHBondContact O-N 3.17Å; R16-V18 VanDerWaalsContact C-N 3.31Å; R16-V18 PolarHBondContact O-N 3.01Å; V18-R20 VanDerWaalsContact C-N 3.28Å; V18-R20 PolarHBondContact O-N 3.18Å; V18-L21 PolarHBondContact O-N 3.25Å; V18-L22 HydrophobicContact CG1-CD1 3.71Å; V18-L22 HydrophobicContact CG1-CG 4.23Å; V18-L22 WeakPolarHBondContact O-CB 3.35Å; V18-L22 WeakPolarHBondContact O-CG 3.48Å; V18-L22 PolarHBondContact O-N 3.24Å; V18-V82 HydrophobicContact CG1-CB 4.32Å; V18-V82 HydrophobicContact CG1-CG1 4.18Å; V18-V82 HydrophobicContact CG1-CG2 3.98Å; V18-A211 HydrophobicContact CB-CB 4.5Å; V18-A211 HydrophobicContact CG2-CB 3.8Å; V18-V214 HydrophobicContact CG1-CG1 4.02Å; V18-V214 HydrophobicContact CG2-CB 3.97Å; V18-V214 HydrophobicContact CG2-CG1 4.11Å; V18-V214 HydrophobicContact CG2-CG2 3.81Å
19S98.8Very high97.7Very high0 Ų042 Ų420%020%0.196CC..Hα-helixtrans-55.9-44.1177.3-61.20000111.7G15 R16 A23G15-S19 PolarHBondContact O-N 3.29Å; G15-S19 PolarHBondContact O-OG 3.43Å; R16-S19 PolarHBondContact O-N 3.23Å; S19-A23 WeakPolarHBondContact O-CB 3.46Å; S19-A23 PolarHBondContact O-N 3.35Å; S19-A23 VanDerWaalsContact O-N 3.08Å
20R98.6Very high97.7Very high96 Ų9641.2 Ų41.236%0.36219%0.188SC..Hα-helixtrans-60.3-51.2176-177171.767.397.6-13.3112R16 A17 V18 L22 A23 E24 L46 E208R16-R20 PolarHBondContact O-N 3.3Å; A17-R20 PolarHBondContact O-N 3.09Å; V18-R20 VanDerWaalsContact C-N 3.28Å; V18-R20 PolarHBondContact O-N 3.18Å; R20-L22 VanDerWaalsContact C-N 3.32Å; R20-L22 PolarHBondContact O-N 3.4Å; R20-A23 WeakPolarHBondContact O-CB 3.24Å; R20-A23 PolarHBondContact O-N 3.15Å; R20-E24 WeakPolarHBondContact CG-OE1 3.44Å; R20-E24 IonicContact CZ-OE1 3.89Å; R20-E24 IonicContact NH1-OE1 3.99Å; R20-E24 PolarHBondContact NH1-OE1 3.31Å; R20-E24 WeakPolarHBondContact O-CG 3.38Å; R20-E24 PolarHBondContact O-N 2.77Å; R20-L46 HydrophobicContact CB-CD2 4.2Å; R20-E208 IonicContact NH2-OE1 2.74Å; R20-E208 PolarHBondContact NH2-OE1 2.97Å
21L98.3Very high97.7Very high27 Ų2741.2 Ų41.214%0.14119%0.188CC..Hα-helixtrans-68.9-30.7-176.8-168.459.1000112.8A17 V18 E24 R25 A211 K212 I215A17-L21 PolarHBondContact O-N 3.3Å; V18-L21 PolarHBondContact O-N 3.25Å; L21-E24 WeakPolarHBondContact CD1-OE2 3.46Å; L21-R25 VanDerWaalsContact O-CG 3.24Å; L21-R25 WeakPolarHBondContact O-CG 3.27Å; L21-R25 PolarHBondContact O-N 3.18Å; L21-A211 HydrophobicContact CD2-CB 4.25Å; L21-K212 HydrophobicContact CD2-CB 4.48Å; L21-K212 HydrophobicContact CD2-CG 3.91Å; L21-I215 HydrophobicContact CB-CG1 4.32Å; L21-I215 HydrophobicContact CD2-CB 4.39Å; L21-I215 HydrophobicContact CD2-CG1 3.5Å; L21-I215 VanDerWaalsContact CD2-CG1 3.5Å; L21-I215 HydrophobicContact CG-CD1 4.43Å; L21-I215 HydrophobicContact CG-CG1 3.78Å
22L98.3Very high97.8Very high3 Ų340.4 Ų40.42%0.01618%0.183CC..Hα-helixtrans-66.1-42.9171.4-75167.7000111.7C5 V7 V18 R20 E24 R25 C27 V29 Y80 I215 L218C5-L22 HydrophobicContact CB-CD1 3.76Å; C5-L22 HydrophobicContact CB-CD2 4.33Å; V7-L22 HydrophobicContact CG2-CD1 3.68Å; V18-L22 HydrophobicContact CG1-CD1 3.71Å; V18-L22 HydrophobicContact CG1-CG 4.23Å; V18-L22 WeakPolarHBondContact O-CB 3.35Å; V18-L22 WeakPolarHBondContact O-CG 3.48Å; V18-L22 PolarHBondContact O-N 3.24Å; R20-L22 VanDerWaalsContact C-N 3.32Å; R20-L22 PolarHBondContact O-N 3.4Å; L22-E24 VanDerWaalsContact C-N 3.35Å; L22-R25 CarbonylContact O-C 3.57Å; L22-R25 WeakPolarHBondContact O-CA 3.48Å; L22-R25 WeakPolarHBondContact O-CB 3.24Å; L22-R25 PolarHBondContact O-N 3.08Å; L22-C27 HydrophobicContact CB-CB 4.27Å; L22-C27 VanDerWaalsContact O-CB 3.23Å; L22-C27 WeakPolarHBondContact O-CB 3.47Å; L22-C27 PolarHBondContact O-N 3.23Å; L22-V29 HydrophobicContact CB-CG2 3.85Å; L22-Y80 HydrophobicContact CD2-CD2 4.49Å; L22-I215 HydrophobicContact CD2-CD1 3.39Å; L22-I215 HydrophobicContact CG-CD1 3.66Å; L22-L218 HydrophobicContact CD2-CD1 4.05Å
23A97.9Very high97.8Very high6 Ų634.9 Ų34.95%0.0516%0.164CC..Hα-helixtrans-63.2-41.117700000111.7S19 R20 R25 D26 V29 L46 A47S19-A23 WeakPolarHBondContact O-CB 3.46Å; S19-A23 PolarHBondContact O-N 3.35Å; S19-A23 VanDerWaalsContact O-N 3.08Å; R20-A23 WeakPolarHBondContact O-CB 3.24Å; R20-A23 PolarHBondContact O-N 3.15Å; A23-R25 PolarHBondContact O-N 3.49Å; A23-R25 VanDerWaalsContact O-N 3.1Å; A23-D26 PolarHBondContact O-N 2.89Å; A23-D26 VanDerWaalsContact O-N 3.09Å; A23-V29 HydrophobicContact CB-CG2 4.24Å; A23-L46 HydrophobicContact CB-CB 3.91Å; A23-L46 HydrophobicContact CB-CD1 4.35Å; A23-L46 HydrophobicContact CB-CD2 4.26Å; A23-L46 HydrophobicContact CB-CG 4.38Å; A23-A47 WeakPolarHBondContact CB-O 3.23Å
24E96.6Very high97.9Very high96 Ų9640.6 Ų40.645%0.44918%0.178SC..THydrogen-bonded Turntrans-62.1-13.5171.6-68.7170.1-166.700113.5R20 L21 L22R20-E24 WeakPolarHBondContact CG-OE1 3.44Å; R20-E24 IonicContact CZ-OE1 3.89Å; R20-E24 IonicContact NH1-OE1 3.99Å; R20-E24 PolarHBondContact NH1-OE1 3.31Å; R20-E24 WeakPolarHBondContact O-CG 3.38Å; R20-E24 PolarHBondContact O-N 2.77Å; L21-E24 WeakPolarHBondContact CD1-OE2 3.46Å; L22-E24 VanDerWaalsContact C-N 3.35Å
25R94.9Very high97.8Very high115 Ų11543.9 Ų43.943%0.43420%0.196SC..THydrogen-bonded Turntrans-104.326.1175.8-65.8-72.1-171.191.41112.5L21 L22 A23 C27 I215 E219L21-R25 VanDerWaalsContact O-CG 3.24Å; L21-R25 WeakPolarHBondContact O-CG 3.27Å; L21-R25 PolarHBondContact O-N 3.18Å; L22-R25 CarbonylContact O-C 3.57Å; L22-R25 WeakPolarHBondContact O-CA 3.48Å; L22-R25 WeakPolarHBondContact O-CB 3.24Å; L22-R25 PolarHBondContact O-N 3.08Å; A23-R25 PolarHBondContact O-N 3.49Å; A23-R25 VanDerWaalsContact O-N 3.1Å; R25-C27 PolarHBondContact O-N 3.25Å; R25-I215 VanDerWaalsContact NH1-CG2 3.33Å; R25-E219 IonicContact CZ-OE1 3.16Å; R25-E219 IonicContact CZ-OE2 3.15Å; R25-E219 IonicContact NH1-OE1 2.64Å; R25-E219 PolarHBondContact NH1-OE1 2.81Å; R25-E219 IonicContact NH1-OE2 3.32Å; R25-E219 PolarHBondContact NH1-OE2 3.33Å
26D94.2Very high97.7Very high142 Ų14247.2 Ų47.276%0.75921%0.211SC*.THydrogen-bonded Turntrans55.225179.9-58-52.1000113.9S2 A23S2-D26 WeakPolarHBondContact CB-O 3.5Å; A23-D26 PolarHBondContact O-N 2.89Å; A23-D26 VanDerWaalsContact O-N 3.09Å
27C96.6Very high97.7Very high13 Ų1347.5 Ų47.59%0.08822%0.222CC..  trans-86140.6174.4-63.90000110.3C5 L22 R25 H51C5-C27 VanDerWaalsContact SG-CB 3.54Å; L22-C27 HydrophobicContact CB-CB 4.27Å; L22-C27 VanDerWaalsContact O-CB 3.23Å; L22-C27 WeakPolarHBondContact O-CB 3.47Å; L22-C27 PolarHBondContact O-N 3.23Å; R25-C27 PolarHBondContact O-N 3.25Å; C27-H51 PolarHBondContact O-CE1 2.82Å; C27-H51 VanDerWaalsContact O-CE1 3.29Å
28R97.7Very high97.7Very high50 Ų5048.7 Ų48.719%0.18923%0.232CC..EExtended strand (participates in β ladder)trans-74.7133.5165.9-172.2175.6178.6-178.9-0.9108R3 L4 C5 D50 T74 C75R3-R28 PolarHBondContact O-N 3.33Å; L4-R28 WeakPolarHBondContact CA-O 3.46Å; L4-R28 HydrophobicContact CD1-CB 4.22Å; L4-R28 HydrophobicContact CD1-CG 4.01Å; C5-R28 PolarHBondContact N-O 2.75Å; R28-D50 HydrophobicContact CG-CB 4.23Å; R28-D50 VanDerWaalsContact CG-O 3.27Å; R28-D50 WeakPolarHBondContact CG-O 3.42Å; R28-D50 PolarHBondContact NE-O 2.91Å; R28-T74 PolarHBondContact NH2-O 2.66Å; R28-C75 PolarHBondContact NH1-O 3.45Å
29V98.6Very high97.7Very high1 Ų148.7 Ų48.71%0.00623%0.232CC..EExtended strand (participates in β ladder)trans-121.8123-171.2-173.40000110.6C5 V7 L22 A23 V31 L46 H51 M52C5-V29 CarbonylContact O-C 3.49Å; C5-V29 WeakPolarHBondContact O-CA 3.18Å; V7-V29 HydrophobicContact CG2-CG1 4.16Å; L22-V29 HydrophobicContact CB-CG2 3.85Å; A23-V29 HydrophobicContact CB-CG2 4.24Å; V29-V31 HydrophobicContact CG1-CG2 3.93Å; V29-L46 HydrophobicContact CB-CD1 4.04Å; V29-L46 HydrophobicContact CG1-CD1 4.24Å; V29-L46 HydrophobicContact CG2-CD1 4.49Å; V29-H51 PolarHBondContact N-ND1 2.85Å; V29-H51 VanDerWaalsContact N-ND1 3.18Å; V29-H51 CarbonylContact O-C 3.53Å; V29-H51 VanDerWaalsContact O-CA 3.24Å; V29-H51 WeakPolarHBondContact O-CA 3.5Å; V29-H51 WeakPolarHBondContact O-CB 3.48Å; V29-M52 PolarHBondContact O-N 3.42Å
30A98.7Very high97.7Very high0 Ų052.7 Ų52.70%025%0.25CS..EExtended strand (participates in β ladder)trans-98.7106.1167.900000108.8L4 C5 V6 V7 M52 F54 I71L4-A30 HydrophobicContact CD1-CB 4.42Å; C5-A30 PolarHBondContact O-N 3.02Å; V6-A30 WeakPolarHBondContact CA-O 3.24Å; V6-A30 HydrophobicContact CG2-CB 4.12Å; V7-A30 PolarHBondContact N-O 3.1Å; A30-M52 CarbonylContact C-O 3.58Å; A30-M52 WeakPolarHBondContact CA-O 3.5Å; A30-F54 HydrophobicContact CB-CD2 4.02Å; A30-F54 HydrophobicContact CB-CE2 3.81Å; A30-I71 HydrophobicContact CB-CD1 4.4Å; A30-I71 HydrophobicContact CB-CG1 4.46Å; A30-I71 HydrophobicContact CB-CG2 4.36Å
31V98.8Very high97.7Very high0 Ų051 Ų510%026%0.257CS..EExtended strand (participates in β ladder)trans-87.2117.2179.1179.50000108.8V29 A39 T42 V43 L46 M52 A53 F54V29-V31 HydrophobicContact CG1-CG2 3.93Å; V31-A39 HydrophobicContact CG1-CB 4.08Å; V31-T42 HydrophobicContact CG1-CG2 4.3Å; V31-T42 HydrophobicContact CG2-CG2 4.15Å; V31-V43 HydrophobicContact CB-CG2 3.88Å; V31-V43 HydrophobicContact CG2-CG2 3.66Å; V31-L46 HydrophobicContact CG2-CD1 4.21Å; V31-M52 PolarHBondContact N-O 3.31Å; V31-A53 WeakPolarHBondContact O-CA 3.17Å; V31-F54 PolarHBondContact O-N 3.38Å
32V98.8Very high97.7Very high1 Ų149.8 Ų49.81%0.00625%0.251CS..EExtended strand (participates in β ladder)trans-112.7129.1-178.1-173.50000110.1V6 V7 G9 G10 F54 C56 I71V6-V32 HydrophobicContact CG1-CG2 3.77Å; V7-V32 PolarHBondContact O-N 3.09Å; G9-V32 WeakPolarHBondContact CA-O 3.49Å; G9-V32 PolarHBondContact N-O 2.96Å; G10-V32 PolarHBondContact N-O 2.72Å; V32-F54 WeakPolarHBondContact CA-O 3.25Å; V32-F54 HydrophobicContact CG2-CB 4.21Å; V32-C56 HydrophobicContact CG1-CB 3.63Å; V32-I71 HydrophobicContact CG2-CD1 4.04Å
33S98.1Very high97.7Very high13 Ų1350.3 Ų50.39%0.09125%0.254CS..EExtended strand (participates in β ladder)trans-157.5157.9179.2153.10000110.2S11 N35 F54 S55 C56S11-S33 WeakPolarHBondContact CB-OG 3.37Å; S11-S33 WeakPolarHBondContact OG-CB 3.48Å; S11-S33 PolarHBondContact OG-OG 2.94Å; S33-N35 VanDerWaalsContact C-N 3.28Å; S33-N35 PolarHBondContact O-N 2.81Å; S33-N35 PolarHBondContact OG-N 2.76Å; S33-N35 VanDerWaalsContact OG-N 3.16Å; S33-N35 PolarHBondContact OG-O 3.47Å; S33-N35 VanDerWaalsContact OG-O 3.11Å; S33-F54 PolarHBondContact N-O 3.31Å; S33-F54 VanDerWaalsContact N-O 3.07Å; S33-S55 VanDerWaalsContact O-CA 3.22Å; S33-S55 WeakPolarHBondContact O-CA 3.39Å; S33-C56 CarbonylContact C-O 3.6Å; S33-C56 PolarHBondContact O-N 2.69Å; S33-C56 VanDerWaalsContact O-N 3.07Å
34R97.2Very high97.7Very high142 Ų14255.4 Ų55.454%0.53628%0.284SS..SBendtrans-66.8-30.2174.1-68.2-178.4-59.1174.32.7113.3S55 C56 D57R34-S55 PolarHBondContact O-OG 2.98Å; R34-C56 WeakPolarHBondContact CG-O 3.47Å; R34-C56 PolarHBondContact N-O 3.48Å; R34-D57 VanDerWaalsContact CD-OD2 3.3Å; R34-D57 WeakPolarHBondContact CD-OD2 3.25Å; R34-D57 HydrophobicContact CG-CB 3.92Å; R34-D57 IonicContact NH1-OD2 3.04Å
35N97.3Very high97.7Very high88 Ų8853.6 Ų53.647%0.47128%0.282SS..  trans-95.3110.9176.1-177.6-37.6000108.4S33 D37 A38 A39S33-N35 VanDerWaalsContact C-N 3.28Å; S33-N35 PolarHBondContact O-N 2.81Å; S33-N35 PolarHBondContact OG-N 2.76Å; S33-N35 VanDerWaalsContact OG-N 3.16Å; S33-N35 PolarHBondContact OG-O 3.47Å; S33-N35 VanDerWaalsContact OG-O 3.11Å; N35-D37 PolarHBondContact OD1-N 3.45Å; N35-A38 HydrophobicContact CB-CB 3.99Å; N35-A38 PolarHBondContact OD1-N 3.12Å; N35-A39 PolarHBondContact O-N 3.44Å; N35-A39 VanDerWaalsContact O-N 3.11Å
36Q97.5Very high97.9Very high71 Ų7148.8 Ų48.833%0.33227%0.265SS..Hα-helixtrans-63.2-44.4-179.8-1796225.600111.6A38 A39 Q40 A53 F54Q36-A38 VanDerWaalsContact C-N 3.32Å; Q36-A38 PolarHBondContact O-N 2.99Å; Q36-A39 WeakPolarHBondContact O-CB 3.46Å; Q36-A39 PolarHBondContact O-N 3.35Å; Q36-A39 VanDerWaalsContact O-N 3.16Å; Q36-Q40 WeakPolarHBondContact O-CB 3.34Å; Q36-Q40 PolarHBondContact O-N 3.09Å; Q36-A53 PolarHBondContact NE2-O 2.81Å; Q36-F54 VanDerWaalsContact OE1-C 3.24Å
37D98.2Very high97.9Very high128 Ų12844.9 Ų44.968%0.68425%0.253SS*.Hα-helixtrans-64.1-39.8-178-60.4-26.4000111.2N35 Q40 A41N35-D37 PolarHBondContact OD1-N 3.45Å; D37-Q40 PolarHBondContact O-N 3.01Å; D37-A41 VanDerWaalsContact O-CB 3.31Å; D37-A41 WeakPolarHBondContact O-CB 3.39Å; D37-A41 PolarHBondContact O-N 3.38Å
38A98.1Very high97.6Very high31 Ų3147.7 Ų47.726%0.25628%0.283SS..Hα-helixtrans-68.1-35.8175.500000112.4N35 Q36 T42N35-A38 HydrophobicContact CB-CB 3.99Å; N35-A38 PolarHBondContact OD1-N 3.12Å; Q36-A38 VanDerWaalsContact C-N 3.32Å; Q36-A38 PolarHBondContact O-N 2.99Å; A38-T42 PolarHBondContact O-N 3.37Å; A38-T42 VanDerWaalsContact O-N 3.15Å; A38-T42 PolarHBondContact O-OG1 3.43Å
39A98.4Very high97.1Very high0 Ų048.7 Ų48.70%030%0.302CS..Hα-helixtrans-64.4-45.5172.500000110.8V31 N35 Q36 T42 V43 A53V31-A39 HydrophobicContact CG1-CB 4.08Å; N35-A39 PolarHBondContact O-N 3.44Å; N35-A39 VanDerWaalsContact O-N 3.11Å; Q36-A39 WeakPolarHBondContact O-CB 3.46Å; Q36-A39 PolarHBondContact O-N 3.35Å; Q36-A39 VanDerWaalsContact O-N 3.16Å; A39-T42 WeakPolarHBondContact O-CB 3.41Å; A39-T42 PolarHBondContact O-N 3.08Å; A39-V43 PolarHBondContact O-N 2.93Å; A39-A53 HydrophobicContact CB-CB 3.77Å
40Q98.4Very high96.8Very high83 Ų8354 Ų5439%0.38833%0.331SS..Hα-helixtrans-64.4-43.8178.9-171.860.842.800111.7Q36 D37 T42 V43 V44 A53Q36-Q40 WeakPolarHBondContact O-CB 3.34Å; Q36-Q40 PolarHBondContact O-N 3.09Å; D37-Q40 PolarHBondContact O-N 3.01Å; Q40-T42 PolarHBondContact O-N 2.98Å; Q40-V43 WeakPolarHBondContact O-CB 3.16Å; Q40-V43 PolarHBondContact O-N 3.49Å; Q40-V43 VanDerWaalsContact O-N 3.14Å; Q40-V44 WeakPolarHBondContact O-CG2 3.44Å; Q40-V44 PolarHBondContact O-N 2.99Å; Q40-A53 HydrophobicContact CB-CB 4.2Å
41A98.3Very high96.8Very high60 Ų6055.1 Ų55.150%0.49634%0.336SS..Hα-helixtrans-59.6-37.4175.400000111.8D37 S45D37-A41 VanDerWaalsContact O-CB 3.31Å; D37-A41 WeakPolarHBondContact O-CB 3.39Å; D37-A41 PolarHBondContact O-N 3.38Å; A41-S45 PolarHBondContact O-N 3.33Å
42T98.5Very high96.7Very high2 Ų258.3 Ų58.31%0.01235%0.352CS..Hα-helixtrans-64.5-50.4173-63.20000110.9G10 S11 R16 V31 A38 A39 Q40 V44 S45 L46G10-T42 WeakPolarHBondContact O-CG2 3.38Å; S11-T42 WeakPolarHBondContact CA-OG1 3.44Å; S11-T42 PolarHBondContact O-OG1 2.91Å; R16-T42 HydrophobicContact CG-CG2 3.93Å; V31-T42 HydrophobicContact CG1-CG2 4.3Å; V31-T42 HydrophobicContact CG2-CG2 4.15Å; A38-T42 PolarHBondContact O-N 3.37Å; A38-T42 VanDerWaalsContact O-N 3.15Å; A38-T42 PolarHBondContact O-OG1 3.43Å; A39-T42 WeakPolarHBondContact O-CB 3.41Å; A39-T42 PolarHBondContact O-N 3.08Å; Q40-T42 PolarHBondContact O-N 2.98Å; T42-V44 VanDerWaalsContact C-N 3.33Å; T42-V44 PolarHBondContact O-N 3.11Å; T42-S45 WeakPolarHBondContact O-CA 3.47Å; T42-S45 WeakPolarHBondContact O-CB 3.37Å; T42-S45 PolarHBondContact O-N 3.33Å; T42-S45 PolarHBondContact O-OG 3.44Å; T42-L46 HydrophobicContact CG2-CD2 4.31Å; T42-L46 WeakPolarHBondContact O-CG 3.36Å; T42-L46 PolarHBondContact O-N 2.98Å
43V98.4Very high96.7Very high14 Ų1458.8 Ų58.89%0.08536%0.356CS..Hα-helixtrans-54.9-45.4178.8161.40000112.4V31 A39 Q40 S45 L46 H51 A53V31-V43 HydrophobicContact CB-CG2 3.88Å; V31-V43 HydrophobicContact CG2-CG2 3.66Å; A39-V43 PolarHBondContact O-N 2.93Å; Q40-V43 WeakPolarHBondContact O-CB 3.16Å; Q40-V43 PolarHBondContact O-N 3.49Å; Q40-V43 VanDerWaalsContact O-N 3.14Å; V43-S45 PolarHBondContact O-N 2.9Å; V43-L46 WeakPolarHBondContact O-CB 3.49Å; V43-L46 PolarHBondContact O-N 3.39Å; V43-L46 VanDerWaalsContact O-N 3.09Å; V43-H51 HydrophobicContact CG1-CB 3.92Å; V43-H51 HydrophobicContact CG2-CB 4.33Å; V43-A53 HydrophobicContact CB-CB 4.42Å; V43-A53 HydrophobicContact CG2-CB 3.86Å
44V97.9Very high96.8Very high113 Ų11358.9 Ų58.969%0.68536%0.355SS*.Hα-helixtrans-62-28.2177.4171.10000112.2Q40 T42Q40-V44 WeakPolarHBondContact O-CG2 3.44Å; Q40-V44 PolarHBondContact O-N 2.99Å; T42-V44 VanDerWaalsContact C-N 3.33Å; T42-V44 PolarHBondContact O-N 3.11Å
45S97.4Very high96.8Very high58 Ų5855 Ų5541%0.40635%0.349SS..THydrogen-bonded Turntrans-85.2-6.2177.673.30000114.7A41 T42 V43A41-S45 PolarHBondContact O-N 3.33Å; T42-S45 WeakPolarHBondContact O-CA 3.47Å; T42-S45 WeakPolarHBondContact O-CB 3.37Å; T42-S45 PolarHBondContact O-N 3.33Å; T42-S45 PolarHBondContact O-OG 3.44Å; V43-S45 PolarHBondContact O-N 2.9Å
46L97.9Very high96.9Very high14 Ų1451 Ų517%0.07333%0.328CS..SBendtrans-79.4143.2179.2-58.3-177.5000110.8R20 A23 V29 V31 T42 V43 H51R20-L46 HydrophobicContact CB-CD2 4.2Å; A23-L46 HydrophobicContact CB-CB 3.91Å; A23-L46 HydrophobicContact CB-CD1 4.35Å; A23-L46 HydrophobicContact CB-CD2 4.26Å; A23-L46 HydrophobicContact CB-CG 4.38Å; V29-L46 HydrophobicContact CB-CD1 4.04Å; V29-L46 HydrophobicContact CG1-CD1 4.24Å; V29-L46 HydrophobicContact CG2-CD1 4.49Å; V31-L46 HydrophobicContact CG2-CD1 4.21Å; T42-L46 HydrophobicContact CG2-CD2 4.31Å; T42-L46 WeakPolarHBondContact O-CG 3.36Å; T42-L46 PolarHBondContact O-N 2.98Å; V43-L46 WeakPolarHBondContact O-CB 3.49Å; V43-L46 PolarHBondContact O-N 3.39Å; V43-L46 VanDerWaalsContact O-N 3.09Å; L46-H51 HydrophobicContact CD1-CB 3.99Å
47A94.2Very high96.9Very high61 Ų6149 Ų4950%0.50432%0.319SS..SBendtrans-78.7142.3170.700000110.3A23 H51A23-A47 WeakPolarHBondContact CB-O 3.23Å; A47-H51 PolarHBondContact O-NE2 3.13Å
48G91.2Very high96.9Very high71 Ų7143.3 Ų43.373%0.73229%0.289SS*.SBendtrans100.9-170-177.100000112.6
49A86.4Confident96.9Very high71 Ų7142.9 Ų42.959%0.58729%0.285SS*.SBendtrans-125.3171.1-17600000111.3H51A49-H51 PolarHBondContact O-N 3.13Å; A49-H51 VanDerWaalsContact O-N 3.15Å
50D93.1Very high96.9Very high114 Ų11448.2 Ų48.261%0.6131%0.308SS*.  trans65.311.2174-51.5-38.2000116.5R28R28-D50 HydrophobicContact CG-CB 4.23Å; R28-D50 VanDerWaalsContact CG-O 3.27Å; R28-D50 WeakPolarHBondContact CG-O 3.42Å; R28-D50 PolarHBondContact NE-O 2.91Å
51H98Very high96.9Very high23 Ų2345.9 Ų45.911%0.10631%0.307CS..  trans-67.3144.1167.6-49.8-62.5000110.5C27 V29 V43 L46 A47 A49C27-H51 PolarHBondContact O-CE1 2.82Å; C27-H51 VanDerWaalsContact O-CE1 3.29Å; V29-H51 PolarHBondContact N-ND1 2.85Å; V29-H51 VanDerWaalsContact N-ND1 3.18Å; V29-H51 CarbonylContact O-C 3.53Å; V29-H51 VanDerWaalsContact O-CA 3.24Å; V29-H51 WeakPolarHBondContact O-CA 3.5Å; V29-H51 WeakPolarHBondContact O-CB 3.48Å; V43-H51 HydrophobicContact CG1-CB 3.92Å; V43-H51 HydrophobicContact CG2-CB 4.33Å; L46-H51 HydrophobicContact CD1-CB 3.99Å; A47-H51 PolarHBondContact O-NE2 3.13Å; A49-H51 PolarHBondContact O-N 3.13Å; A49-H51 VanDerWaalsContact O-N 3.15Å
52M98.4Very high96.9Very high66 Ų6650.6 Ų50.633%0.32532%0.318SS..EExtended strand (participates in β ladder)trans-134.6144.2-177.2-67.6-169.473.800111.6V29 A30 V31 F54 C75V29-M52 PolarHBondContact O-N 3.42Å; A30-M52 CarbonylContact C-O 3.58Å; A30-M52 WeakPolarHBondContact CA-O 3.5Å; V31-M52 PolarHBondContact N-O 3.31Å; M52-F54 HydrophobicContact CB-CD2 4.35Å; M52-F54 HydrophobicContact CB-CE2 3.49Å; M52-F54 VanDerWaalsContact CB-CE2 3.49Å; M52-F54 HydrophobicContact CB-CZ 3.79Å; M52-F54 HydrophobicContact CE-CZ 4.14Å; M52-F54 HydrophobicContact SD-CZ 4.23Å; M52-C75 PolarHBondContact SD-SG 3.14Å
53A98.6Very high96.9Very high12 Ų1254.5 Ų54.510%0.09934%0.336CS..EExtended strand (participates in β ladder)trans-106.6136.7179.200000110.5V31 Q36 A39 Q40 V43V31-A53 WeakPolarHBondContact O-CA 3.17Å; Q36-A53 PolarHBondContact NE2-O 2.81Å; A39-A53 HydrophobicContact CB-CB 3.77Å; Q40-A53 HydrophobicContact CB-CB 4.2Å; V43-A53 HydrophobicContact CB-CB 4.42Å; V43-A53 HydrophobicContact CG2-CB 3.86Å
54F98.6Very high96.9Very high15 Ų1554 Ų547%0.06633%0.333CS..EExtended strand (participates in β ladder)trans-134.3137.5-176.3-65.7-78.8000111.5A30 V31 V32 S33 Q36 M52 I67 T70 I71A30-F54 HydrophobicContact CB-CD2 4.02Å; A30-F54 HydrophobicContact CB-CE2 3.81Å; V31-F54 PolarHBondContact O-N 3.38Å; V32-F54 WeakPolarHBondContact CA-O 3.25Å; V32-F54 HydrophobicContact CG2-CB 4.21Å; S33-F54 PolarHBondContact N-O 3.31Å; S33-F54 VanDerWaalsContact N-O 3.07Å; Q36-F54 VanDerWaalsContact OE1-C 3.24Å; M52-F54 HydrophobicContact CB-CD2 4.35Å; M52-F54 HydrophobicContact CB-CE2 3.49Å; M52-F54 VanDerWaalsContact CB-CE2 3.49Å; M52-F54 HydrophobicContact CB-CZ 3.79Å; M52-F54 HydrophobicContact CE-CZ 4.14Å; M52-F54 HydrophobicContact SD-CZ 4.23Å; F54-I67 HydrophobicContact CB-CD1 3.77Å; F54-I67 HydrophobicContact CB-CG1 3.72Å; F54-I67 HydrophobicContact CD1-CD1 3.53Å; F54-I67 HydrophobicContact CD1-CG1 4.11Å; F54-I67 HydrophobicContact CG-CD1 3.99Å; F54-I67 HydrophobicContact CG-CG1 4.13Å; F54-T70 HydrophobicContact CE1-CG2 4.13Å; F54-I71 HydrophobicContact CD1-CG1 4.2Å; F54-I71 HydrophobicContact CD2-CD1 4.05Å; F54-I71 HydrophobicContact CD2-CG1 3.74Å; F54-I71 HydrophobicContact CE1-CG1 4.02Å; F54-I71 HydrophobicContact CE2-CD1 4.31Å; F54-I71 HydrophobicContact CE2-CG1 3.54Å; F54-I71 HydrophobicContact CG-CD1 4.33Å; F54-I71 HydrophobicContact CG-CG1 4.06Å; F54-I71 HydrophobicContact CZ-CG1 3.68Å
55S98.4Very high96.9Very high59 Ų5952.5 Ų52.541%0.41332%0.319SS..EExtended strand (participates in β ladder)trans-90.4124.4174.5-1680000110.3S33 R34S33-S55 VanDerWaalsContact O-CA 3.22Å; S33-S55 WeakPolarHBondContact O-CA 3.39Å; R34-S55 PolarHBondContact O-OG 2.98Å
56C98.4Very high96.9Very high4 Ų454.2 Ų54.23%0.02732%0.323CS..  trans-161.2134174.8174.40000111.5V32 S33 R34 I67V32-C56 HydrophobicContact CG1-CB 3.63Å; S33-C56 CarbonylContact C-O 3.6Å; S33-C56 PolarHBondContact O-N 2.69Å; S33-C56 VanDerWaalsContact O-N 3.07Å; R34-C56 WeakPolarHBondContact CG-O 3.47Å; R34-C56 PolarHBondContact N-O 3.48Å; C56-I67 HydrophobicContact CB-CB 4.25Å; C56-I67 HydrophobicContact CB-CG1 4.27Å; C56-I67 HydrophobicContact CB-CG2 3.9Å
57D98.5Very high97Very high29 Ų2954.6 Ų54.616%0.15533%0.325CS..  trans-85.4109.5160.3-165.6-32000110.6R34 S59 K60 E63R34-D57 VanDerWaalsContact CD-OD2 3.3Å; R34-D57 WeakPolarHBondContact CD-OD2 3.25Å; R34-D57 HydrophobicContact CG-CB 3.92Å; R34-D57 IonicContact NH1-OD2 3.04Å; D57-S59 PolarHBondContact O-N 3.35Å; D57-S59 VanDerWaalsContact OD1-CB 3.29Å; D57-S59 WeakPolarHBondContact OD1-CB 3.38Å; D57-S59 PolarHBondContact OD1-N 3.39Å; D57-S59 PolarHBondContact OD1-OG 2.91Å; D57-S59 PolarHBondContact OD2-OG 3.24Å; D57-K60 HydrophobicContact CB-CB 4.49Å; D57-K60 HydrophobicContact CB-CG 3.9Å; D57-K60 WeakPolarHBondContact O-CB 3.5Å; D57-K60 PolarHBondContact O-N 3.45Å; D57-E63 PolarHBondContact N-OE2 2.99Å
58V98.6Very high97.2Very high9 Ų952.2 Ų52.26%0.05530%0.303CS..THydrogen-bonded Turntrans-60.6-19.5-179.6-60.60000113.4C8 K60 A85 T107 G111 T115C8-V58 HydrophobicContact CB-CG1 4.22Å; V58-K60 PolarHBondContact O-N 3.12Å; V58-A85 HydrophobicContact CG1-CB 4.13Å; V58-A85 HydrophobicContact CG2-CB 3.86Å; V58-T107 HydrophobicContact CG2-CG2 4.21Å; V58-G111 WeakPolarHBondContact O-CA 3.35Å; V58-T115 HydrophobicContact CB-CG2 4.28Å; V58-T115 HydrophobicContact CG1-CG2 3.96Å
59S98.2Very high97.5Very high22 Ų2251.6 Ų51.615%0.15428%0.282CS..THydrogen-bonded Turntrans-75.4-8175.6700000114D57D57-S59 PolarHBondContact O-N 3.35Å; D57-S59 VanDerWaalsContact OD1-CB 3.29Å; D57-S59 WeakPolarHBondContact OD1-CB 3.38Å; D57-S59 PolarHBondContact OD1-N 3.39Å; D57-S59 PolarHBondContact OD1-OG 2.91Å; D57-S59 PolarHBondContact OD2-OG 3.24Å
60K98.4Very high98Very high112 Ų11251.1 Ų51.149%0.48727%0.271SS..  trans-109.5107.5-175.5-58.2-67.3-173.5172.20110D57 V58 E62 E63 V64D57-K60 HydrophobicContact CB-CB 4.49Å; D57-K60 HydrophobicContact CB-CG 3.9Å; D57-K60 WeakPolarHBondContact O-CB 3.5Å; D57-K60 PolarHBondContact O-N 3.45Å; V58-K60 PolarHBondContact O-N 3.12Å; K60-E62 VanDerWaalsContact C-N 3.35Å; K60-E62 PolarHBondContact O-N 3.28Å; K60-E63 HydrophobicContact CB-CB 3.98Å; K60-E63 HydrophobicContact CB-CG 3.85Å; K60-E63 WeakPolarHBondContact CG-OE1 3.19Å; K60-E63 PolarHBondContact O-N 2.92Å; K60-V64 WeakPolarHBondContact O-CG2 3.35Å; K60-V64 PolarHBondContact O-N 2.82Å
61G97.9Very high98.3Very high35 Ų3545.7 Ų45.736%0.36124%0.242SC..Hα-helixtrans-56.7-42.4-174.600000114.6V64 Q65G61-V64 PolarHBondContact O-N 3.41Å; G61-Q65 PolarHBondContact O-N 2.68Å
62E97.8Very high98.2Very high159 Ų15948 Ų4874%0.74325%0.253SS*.Hα-helixtrans-66.4-41.8178.3-66.8-177.6173.200112.2K60 V64 Q65 N66K60-E62 VanDerWaalsContact C-N 3.35Å; K60-E62 PolarHBondContact O-N 3.28Å; E62-V64 PolarHBondContact O-N 3.35Å; E62-Q65 PolarHBondContact O-N 2.84Å; E62-N66 WeakPolarHBondContact O-CB 3.48Å; E62-N66 PolarHBondContact O-N 3.46Å; E62-N66 PolarHBondContact O-ND2 3Å
63E98.3Very high98Very high83 Ų8353.1 Ų53.139%0.38827%0.274SS..Hα-helixtrans-62.2-44.5175.9-67-174.5-14300111.4D57 K60 Q65 N66 I67D57-E63 PolarHBondContact N-OE2 2.99Å; K60-E63 HydrophobicContact CB-CB 3.98Å; K60-E63 HydrophobicContact CB-CG 3.85Å; K60-E63 WeakPolarHBondContact CG-OE1 3.19Å; K60-E63 PolarHBondContact O-N 2.92Å; E63-Q65 VanDerWaalsContact C-N 3.34Å; E63-Q65 PolarHBondContact O-N 2.97Å; E63-N66 PolarHBondContact O-N 2.8Å; E63-I67 WeakPolarHBondContact O-CB 3.47Å; E63-I67 WeakPolarHBondContact O-CG2 3.33Å; E63-I67 PolarHBondContact O-N 3.06Å
64V98.8Very high97.9Very high3 Ų355.6 Ų55.62%0.01829%0.287CS..Hα-helixtrans-60.8-44176.9173.50000110.9K60 G61 E62 I67 F68 L114 T115 A118K60-V64 WeakPolarHBondContact O-CG2 3.35Å; K60-V64 PolarHBondContact O-N 2.82Å; G61-V64 PolarHBondContact O-N 3.41Å; E62-V64 PolarHBondContact O-N 3.35Å; V64-I67 WeakPolarHBondContact O-CG2 3.17Å; V64-F68 HydrophobicContact CG1-CD2 4Å; V64-F68 HydrophobicContact CG1-CE2 4.18Å; V64-F68 WeakPolarHBondContact O-CB 3.3Å; V64-F68 VanDerWaalsContact O-CD2 3.3Å; V64-F68 WeakPolarHBondContact O-CD2 3.33Å; V64-F68 PolarHBondContact O-N 2.74Å; V64-F68 VanDerWaalsContact O-N 3.13Å; V64-L114 HydrophobicContact CB-CB 4.43Å; V64-L114 HydrophobicContact CG1-CB 4.16Å; V64-L114 HydrophobicContact CG2-CB 4.34Å; V64-T115 HydrophobicContact CG1-CG2 3.95Å; V64-T115 HydrophobicContact CG2-CG2 4.23Å; V64-A118 HydrophobicContact CG1-CB 3.97Å
65Q98Very high97.8Very high82 Ų8255.5 Ų55.538%0.38329%0.289SS..Hα-helixtrans-61.7-51.9177.5178.2170.5-400111.4G61 E62 E63 I67 F68 E69G61-Q65 PolarHBondContact O-N 2.68Å; E62-Q65 PolarHBondContact O-N 2.84Å; E63-Q65 VanDerWaalsContact C-N 3.34Å; E63-Q65 PolarHBondContact O-N 2.97Å; Q65-I67 VanDerWaalsContact C-N 3.32Å; Q65-I67 PolarHBondContact O-N 3.49Å; Q65-F68 PolarHBondContact O-N 3.43Å; Q65-E69 VanDerWaalsContact CG-OE1 3.25Å; Q65-E69 WeakPolarHBondContact CG-OE1 3.36Å; Q65-E69 PolarHBondContact NE2-OE1 3.43Å; Q65-E69 WeakPolarHBondContact O-CG 3.36Å; Q65-E69 PolarHBondContact O-N 3.36Å
66N98.1Very high97.6Very high94 Ų9454 Ų5450%0.50328%0.283SS..Hα-helixtrans-61.9-40.6-176.7-68.6-19.6000112E62 E63 T70E62-N66 WeakPolarHBondContact O-CB 3.48Å; E62-N66 PolarHBondContact O-N 3.46Å; E62-N66 PolarHBondContact O-ND2 3Å; E63-N66 PolarHBondContact O-N 2.8Å; N66-T70 WeakPolarHBondContact O-CB 3.41Å; N66-T70 PolarHBondContact O-N 3.37Å; N66-T70 PolarHBondContact O-OG1 3.23Å
67I98.3Very high97.6Very high22 Ų2256.7 Ų56.711%0.11330%0.297CS..Hα-helixtrans-71.5-38.7-178.4-155.258.8000111.9F54 C56 E63 V64 Q65 T70 I71F54-I67 HydrophobicContact CB-CD1 3.77Å; F54-I67 HydrophobicContact CB-CG1 3.72Å; F54-I67 HydrophobicContact CD1-CD1 3.53Å; F54-I67 HydrophobicContact CD1-CG1 4.11Å; F54-I67 HydrophobicContact CG-CD1 3.99Å; F54-I67 HydrophobicContact CG-CG1 4.13Å; C56-I67 HydrophobicContact CB-CB 4.25Å; C56-I67 HydrophobicContact CB-CG1 4.27Å; C56-I67 HydrophobicContact CB-CG2 3.9Å; E63-I67 WeakPolarHBondContact O-CB 3.47Å; E63-I67 WeakPolarHBondContact O-CG2 3.33Å; E63-I67 PolarHBondContact O-N 3.06Å; V64-I67 WeakPolarHBondContact O-CG2 3.17Å; Q65-I67 VanDerWaalsContact C-N 3.32Å; Q65-I67 PolarHBondContact O-N 3.49Å; I67-T70 WeakPolarHBondContact O-CB 3.45Å; I67-T70 PolarHBondContact O-N 3.15Å; I67-I71 HydrophobicContact CG1-CD1 4.34Å; I67-I71 WeakPolarHBondContact O-CB 3.15Å; I67-I71 VanDerWaalsContact O-CG1 3.24Å; I67-I71 WeakPolarHBondContact O-CG1 3.24Å; I67-I71 PolarHBondContact O-N 3.33Å
68F98.4Very high97.6Very high11 Ų1155.4 Ų55.45%0.04829%0.29CS..Hα-helixtrans-69-35.4176.5-90.3-99.9000112.2V6 V64 Q65 T70 I71 Q72 V78 L81 T115 A118 A119V6-F68 HydrophobicContact CG1-CE1 4.26Å; V6-F68 HydrophobicContact CG1-CZ 3.89Å; V6-F68 HydrophobicContact CG2-CE1 4.37Å; V64-F68 HydrophobicContact CG1-CD2 4Å; V64-F68 HydrophobicContact CG1-CE2 4.18Å; V64-F68 WeakPolarHBondContact O-CB 3.3Å; V64-F68 VanDerWaalsContact O-CD2 3.3Å; V64-F68 WeakPolarHBondContact O-CD2 3.33Å; V64-F68 PolarHBondContact O-N 2.74Å; V64-F68 VanDerWaalsContact O-N 3.13Å; Q65-F68 PolarHBondContact O-N 3.43Å; F68-T70 VanDerWaalsContact C-N 3.32Å; F68-I71 PolarHBondContact O-N 2.81Å; F68-Q72 WeakPolarHBondContact O-CB 3.41Å; F68-Q72 PolarHBondContact O-N 2.7Å; F68-V78 HydrophobicContact CD1-CG2 4.44Å; F68-V78 HydrophobicContact CE1-CG2 4.48Å; F68-L81 HydrophobicContact CE1-CD1 4.43Å; F68-L81 HydrophobicContact CZ-CD1 3.94Å; F68-T115 HydrophobicContact CE2-CG2 4.07Å; F68-A118 HydrophobicContact CB-CB 3.73Å; F68-A118 HydrophobicContact CD1-CB 3.86Å; F68-A118 HydrophobicContact CD2-CB 3.77Å; F68-A118 HydrophobicContact CE1-CB 4.42Å; F68-A118 HydrophobicContact CE2-CB 4.33Å; F68-A118 HydrophobicContact CG-CB 3.49Å; F68-A118 VanDerWaalsContact CG-CB 3.49Å; F68-A119 HydrophobicContact CD1-CB 4.37Å; F68-A119 HydrophobicContact CE1-CB 3.74Å
69E97.7Very high97.5Very high59 Ų5956.6 Ų56.628%0.27630%0.299SS..Hα-helixtrans-63.8-39.7171.6-72.4176.2-165.800111.4Q65 Q72 K73 R121Q65-E69 VanDerWaalsContact CG-OE1 3.25Å; Q65-E69 WeakPolarHBondContact CG-OE1 3.36Å; Q65-E69 PolarHBondContact NE2-OE1 3.43Å; Q65-E69 WeakPolarHBondContact O-CG 3.36Å; Q65-E69 PolarHBondContact O-N 3.36Å; E69-Q72 PolarHBondContact O-N 2.95Å; E69-K73 VanDerWaalsContact O-CG 3.28Å; E69-K73 WeakPolarHBondContact O-CG 3.49Å; E69-K73 PolarHBondContact O-N 3.49Å; E69-R121 IonicContact OE1-NH1 2.76Å; E69-R121 PolarHBondContact OE1-NH1 3.43Å; E69-R121 VanDerWaalsContact OE1-NH1 3.15Å
70T98.2Very high97.6Very high60 Ų6056.5 Ų56.537%0.36830%0.295SS..Hα-helixtrans-66.3-45.8175.2-57.90000111.7F54 N66 I67 F68 Q72 K73 T74F54-T70 HydrophobicContact CE1-CG2 4.13Å; N66-T70 WeakPolarHBondContact O-CB 3.41Å; N66-T70 PolarHBondContact O-N 3.37Å; N66-T70 PolarHBondContact O-OG1 3.23Å; I67-T70 WeakPolarHBondContact O-CB 3.45Å; I67-T70 PolarHBondContact O-N 3.15Å; F68-T70 VanDerWaalsContact C-N 3.32Å; T70-Q72 VanDerWaalsContact C-N 3.3Å; T70-Q72 PolarHBondContact O-N 3.34Å; T70-K73 PolarHBondContact O-N 3.25Å; T70-T74 HydrophobicContact CG2-CG2 4.27Å; T70-T74 WeakPolarHBondContact O-CB 3.47Å; T70-T74 WeakPolarHBondContact O-CG2 3.5Å; T70-T74 PolarHBondContact O-N 3.03Å; T70-T74 PolarHBondContact O-OG1 2.96Å
71I98Very high97.6Very high0 Ų051.1 Ų51.10%027%0.272CS..Hα-helixtrans-57.1-46.1174.4-72.2163.3000109.6L4 V6 A30 V32 F54 I67 F68 K73 T74 C75 G76 V78L4-I71 HydrophobicContact CD2-CG2 3.95Å; V6-I71 HydrophobicContact CG1-CD1 4.31Å; V6-I71 HydrophobicContact CG2-CD1 4.44Å; V6-I71 HydrophobicContact CG2-CG2 4.06Å; A30-I71 HydrophobicContact CB-CD1 4.4Å; A30-I71 HydrophobicContact CB-CG1 4.46Å; A30-I71 HydrophobicContact CB-CG2 4.36Å; V32-I71 HydrophobicContact CG2-CD1 4.04Å; F54-I71 HydrophobicContact CD1-CG1 4.2Å; F54-I71 HydrophobicContact CD2-CD1 4.05Å; F54-I71 HydrophobicContact CD2-CG1 3.74Å; F54-I71 HydrophobicContact CE1-CG1 4.02Å; F54-I71 HydrophobicContact CE2-CD1 4.31Å; F54-I71 HydrophobicContact CE2-CG1 3.54Å; F54-I71 HydrophobicContact CG-CD1 4.33Å; F54-I71 HydrophobicContact CG-CG1 4.06Å; F54-I71 HydrophobicContact CZ-CG1 3.68Å; I67-I71 HydrophobicContact CG1-CD1 4.34Å; I67-I71 WeakPolarHBondContact O-CB 3.15Å; I67-I71 VanDerWaalsContact O-CG1 3.24Å; I67-I71 WeakPolarHBondContact O-CG1 3.24Å; I67-I71 PolarHBondContact O-N 3.33Å; F68-I71 PolarHBondContact O-N 2.81Å; I71-K73 PolarHBondContact O-N 2.9Å; I71-T74 PolarHBondContact O-N 3.14Å; I71-T74 PolarHBondContact O-OG1 3.01Å; I71-C75 HydrophobicContact CG2-CB 4.25Å; I71-C75 WeakPolarHBondContact O-CA 3.44Å; I71-C75 WeakPolarHBondContact O-CB 3.48Å; I71-C75 PolarHBondContact O-N 2.81Å; I71-G76 PolarHBondContact O-N 3.2Å; I71-V78 HydrophobicContact CG2-CG2 4.34Å
72Q95.8Very high97.6Very high71 Ų7149.5 Ų49.533%0.33226%0.255SS..Hα-helixtrans-63.2-42.3-179.4-170.3177-7.900112.3F68 E69 T70 G76 N77F68-Q72 WeakPolarHBondContact O-CB 3.41Å; F68-Q72 PolarHBondContact O-N 2.7Å; E69-Q72 PolarHBondContact O-N 2.95Å; T70-Q72 VanDerWaalsContact C-N 3.3Å; T70-Q72 PolarHBondContact O-N 3.34Å; Q72-G76 WeakPolarHBondContact CA-O 3.05Å; Q72-G76 VanDerWaalsContact O-CA 3.3Å; Q72-G76 WeakPolarHBondContact O-CA 3.38Å; Q72-G76 PolarHBondContact O-N 3.2Å; Q72-N77 PolarHBondContact NE2-OD1 2.9Å
73K96.1Very high97.7Very high174 Ų17442.1 Ų42.176%0.75722%0.22SC*.Hα-helixtrans-66.9-37.3178.2-72.8170.3-177.1172.30113.3E69 T70 I71E69-K73 VanDerWaalsContact O-CG 3.28Å; E69-K73 WeakPolarHBondContact O-CG 3.49Å; E69-K73 PolarHBondContact O-N 3.49Å; T70-K73 PolarHBondContact O-N 3.25Å; I71-K73 PolarHBondContact O-N 2.9Å
74T95.8Very high97.7Very high64 Ų6439.2 Ų39.239%0.39321%0.211SC..Hα-helixtrans-94.7-32.9-172.854.90000113.3R28 T70 I71R28-T74 PolarHBondContact NH2-O 2.66Å; T70-T74 HydrophobicContact CG2-CG2 4.27Å; T70-T74 WeakPolarHBondContact O-CB 3.47Å; T70-T74 WeakPolarHBondContact O-CG2 3.5Å; T70-T74 PolarHBondContact O-N 3.03Å; T70-T74 PolarHBondContact O-OG1 2.96Å; I71-T74 PolarHBondContact O-N 3.14Å; I71-T74 PolarHBondContact O-OG1 3.01Å
75C95.9Very high97.6Very high13 Ų1340 Ų409%0.08822%0.217CC..Hα-helixtrans-113.1-20.2-171.2-55.60000114L4 R28 M52 I71L4-C75 HydrophobicContact CD1-CB 3.68Å; L4-C75 HydrophobicContact CD2-CB 3.53Å; L4-C75 HydrophobicContact CG-CB 4.26Å; R28-C75 PolarHBondContact NH1-O 3.45Å; M52-C75 PolarHBondContact SD-SG 3.14Å; I71-C75 HydrophobicContact CG2-CB 4.25Å; I71-C75 WeakPolarHBondContact O-CA 3.44Å; I71-C75 WeakPolarHBondContact O-CB 3.48Å; I71-C75 PolarHBondContact O-N 2.81Å
76G95.4Very high97.5Very high29 Ų2937.1 Ų37.130%0.29921%0.21SC..  trans96.4-163.9-175.600000113.5L4 I71 Q72L4-G76 WeakPolarHBondContact CD2-O 3.41Å; I71-G76 PolarHBondContact O-N 3.2Å; Q72-G76 WeakPolarHBondContact CA-O 3.05Å; Q72-G76 VanDerWaalsContact O-CA 3.3Å; Q72-G76 WeakPolarHBondContact O-CA 3.38Å; Q72-G76 PolarHBondContact O-N 3.2Å
77N97.1Very high97.4Very high60 Ų6034 Ų3432%0.32119%0.193SC..SBendtrans-75.6131.9-173.2-64.9-46.5000112.3L4 Q72 S79 T126L4-N77 WeakPolarHBondContact CB-O 3.44Å; Q72-N77 PolarHBondContact NE2-OD1 2.9Å; N77-S79 PolarHBondContact O-N 3.2Å; N77-T126 HydrophobicContact CB-CG2 3.66Å; N77-T126 WeakPolarHBondContact ND2-CG2 3.41Å
78V98.2Very high97.1Very high1 Ų135.3 Ų35.31%0.00620%0.201CC..EExtended strand (participates in β ladder)trans-67.4120.3177.7-177.10000110.6L4 V6 F68 I71 Y80 A119 S122 M123L4-V78 HydrophobicContact CD2-CG2 4.28Å; V6-V78 HydrophobicContact CB-CG1 4.41Å; V6-V78 HydrophobicContact CG2-CB 4.42Å; V6-V78 HydrophobicContact CG2-CG1 3.81Å; V6-V78 HydrophobicContact CG2-CG2 3.74Å; F68-V78 HydrophobicContact CD1-CG2 4.44Å; F68-V78 HydrophobicContact CE1-CG2 4.48Å; I71-V78 HydrophobicContact CG2-CG2 4.34Å; V78-Y80 WeakPolarHBondContact CG1-O 3.29Å; V78-A119 HydrophobicContact CG1-CB 4.37Å; V78-S122 PolarHBondContact N-OG 3.08Å; V78-M123 HydrophobicContact CG1-CE 4.1Å; V78-M123 WeakPolarHBondContact O-CG 3.45Å
79S98.2Very high96.8Very high34 Ų3440.7 Ų40.724%0.23822%0.221CC..EExtended strand (participates in β ladder)trans-95.5-42.9175.7-56.10000111.8L4 N77 G129 A130L4-S79 WeakPolarHBondContact O-CA 3.45Å; L4-S79 WeakPolarHBondContact O-CB 3.38Å; L4-S79 PolarHBondContact O-N 2.98Å; N77-S79 PolarHBondContact O-N 3.2Å; S79-G129 WeakPolarHBondContact O-CA 3.27Å; S79-A130 PolarHBondContact O-N 2.86Å
80Y98.7Very high96.4Very high20 Ų2042.8 Ų42.88%0.07823%0.233CC..EExtended strand (participates in β ladder)trans-125.2141.1177.7-63-30.9000112R3 L4 C5 V6 L22 V78 A130 L218R3-Y80 PolarHBondContact NH1-OH 3.02Å; L4-Y80 PolarHBondContact O-N 3.5Å; L4-Y80 VanDerWaalsContact O-N 3.13Å; C5-Y80 CarbonylContact C-O 3.6Å; C5-Y80 WeakPolarHBondContact CA-O 3.33Å; C5-Y80 VanDerWaalsContact SG-CD2 3.53Å; V6-Y80 PolarHBondContact N-O 3.4Å; L22-Y80 HydrophobicContact CD2-CD2 4.49Å; V78-Y80 WeakPolarHBondContact CG1-O 3.29Å; Y80-A130 VanDerWaalsContact CA-O 3.29Å; Y80-A130 WeakPolarHBondContact CA-O 3.42Å; Y80-A130 HydrophobicContact CD1-CB 3.59Å; Y80-A130 HydrophobicContact CE1-CB 3.66Å; Y80-L218 HydrophobicContact CD1-CD2 4.04Å; Y80-L218 HydrophobicContact CD2-CB 4.29Å; Y80-L218 HydrophobicContact CD2-CD1 4.18Å; Y80-L218 WeakPolarHBondContact CE1-O 3.49Å; Y80-L218 HydrophobicContact CE2-CB 4.29Å; Y80-L218 HydrophobicContact CG-CB 4.43Å; Y80-L218 HydrophobicContact CG-CD1 4.29Å; Y80-L218 HydrophobicContact CG-CD2 3.96Å; Y80-L218 HydrophobicContact CG-CG 4.47Å; Y80-L218 PolarHBondContact OH-O 2.9Å
81L98.9Very high96Very high0 Ų041.3 Ų41.30%023%0.23CC..EExtended strand (participates in β ladder)trans-123.3132.8170.9175.166.2000109.7V6 F68 A119 M123 A130 I131 V132V6-L81 HydrophobicContact CB-CD1 4.01Å; V6-L81 HydrophobicContact CG1-CD1 4.05Å; V6-L81 CarbonylContact O-C 3.34Å; V6-L81 WeakPolarHBondContact O-CA 3.29Å; F68-L81 HydrophobicContact CE1-CD1 4.43Å; F68-L81 HydrophobicContact CZ-CD1 3.94Å; L81-A119 HydrophobicContact CB-CB 4.29Å; L81-A119 HydrophobicContact CD2-CB 3.77Å; L81-A119 HydrophobicContact CG-CB 4.49Å; L81-M123 HydrophobicContact CB-CE 4.09Å; L81-A130 PolarHBondContact N-O 2.9Å; L81-I131 HydrophobicContact CB-CG1 4.2Å; L81-I131 HydrophobicContact CB-CG2 4.35Å; L81-I131 HydrophobicContact CD2-CG2 4.13Å; L81-I131 HydrophobicContact CG-CG2 4.37Å; L81-I131 CarbonylContact O-C 3.55Å; L81-I131 WeakPolarHBondContact O-CA 3.34Å; L81-V132 PolarHBondContact O-N 3.24Å
82V98.9Very high95.8Very high0 Ų046.4 Ų46.40%026%0.257CS..EExtended strand (participates in β ladder)trans-122.8119.4169.9-176.20000109.8V6 V7 C8 V18 A84 V132 I134 V214 L218V6-V82 PolarHBondContact O-N 3.32Å; V7-V82 HydrophobicContact CG1-CB 4.33Å; V7-V82 HydrophobicContact CG2-CB 4.44Å; C8-V82 PolarHBondContact N-O 3.48Å; V18-V82 HydrophobicContact CG1-CB 4.32Å; V18-V82 HydrophobicContact CG1-CG1 4.18Å; V18-V82 HydrophobicContact CG1-CG2 3.98Å; V82-A84 HydrophobicContact CG1-CB 4.5Å; V82-A84 PolarHBondContact O-N 2.83Å; V82-V132 WeakPolarHBondContact CA-O 3.24Å; V82-I134 HydrophobicContact CG1-CD1 4.4Å; V82-I134 HydrophobicContact CG1-CG1 4.38Å; V82-V214 HydrophobicContact CG1-CG1 4.06Å; V82-V214 HydrophobicContact CG2-CG1 3.74Å; V82-L218 HydrophobicContact CG2-CD1 3.84Å; V82-L218 HydrophobicContact CG2-CD2 4.49Å
83N98.9Very high95.9Very high4 Ų447.3 Ų47.32%0.02126%0.264CS..EExtended strand (participates in β ladder)trans-97.387.3177.1-75.9-37.3000110.6S112 T115 C116 V132 N133 I134N83-S112 PolarHBondContact ND2-O 2.92Å; N83-T115 PolarHBondContact ND2-OG1 2.79Å; N83-T115 PolarHBondContact OD1-OG1 3.07Å; N83-C116 PolarHBondContact ND2-SG 2.97Å; N83-C116 VanDerWaalsContact ND2-SG 3.43Å; N83-V132 PolarHBondContact N-O 3.46Å; N83-N133 PolarHBondContact ND2-OD1 3.43Å; N83-I134 VanDerWaalsContact O-CB 3.32Å; N83-I134 WeakPolarHBondContact O-CB 3.34Å; N83-I134 WeakPolarHBondContact O-CG1 3.39Å; N83-I134 PolarHBondContact O-N 3.16Å
84A98.6Very high96Very high23 Ų2347.1 Ų47.119%0.1927%0.27CS..  trans-104.1-4.6176.700000113.5C8 V82 G86 I134C8-A84 CarbonylContact O-C 3.56Å; C8-A84 VanDerWaalsContact O-CA 3.31Å; C8-A84 WeakPolarHBondContact O-CA 3.38Å; C8-A84 WeakPolarHBondContact O-CB 3.42Å; C8-A84 PolarHBondContact O-N 3.44Å; V82-A84 HydrophobicContact CG1-CB 4.5Å; V82-A84 PolarHBondContact O-N 2.83Å; A84-G86 PolarHBondContact O-N 3.5Å; A84-I134 HydrophobicContact CB-CG1 3.86Å
85A97.1Very high95.9Very high18 Ų1853.9 Ų53.915%0.14929%0.288CS..  trans-63.6128.9174.900000110.2C8 V58C8-A85 HydrophobicContact CB-CB 4.42Å; C8-A85 PolarHBondContact O-N 3.18Å; V58-A85 HydrophobicContact CG1-CB 4.13Å; V58-A85 HydrophobicContact CG2-CB 3.86Å
86G95.7Very high95.9Very high23 Ų2354.5 Ų54.524%0.23729%0.292CS..  trans-170.2158.6178.100000112.7A84 N108A84-G86 PolarHBondContact O-N 3.5Å; G86-N108 WeakPolarHBondContact CA-OD1 3.27Å
87I95.8Very high96Very high29 Ų2959.7 Ų59.715%0.14930%0.302CS..  trans-128.3156.8171.262.2177000109.4A103 L104 T107 N108 Y149I87-A103 HydrophobicContact CD1-CB 4.23Å; I87-L104 HydrophobicContact CG1-CD2 3.95Å; I87-L104 VanDerWaalsContact O-CD2 3.24Å; I87-L104 WeakPolarHBondContact O-CD2 3.24Å; I87-T107 HydrophobicContact CG1-CG2 4.31Å; I87-T107 HydrophobicContact CG2-CG2 4.29Å; I87-N108 PolarHBondContact N-OD1 2.77Å; I87-N108 PolarHBondContact O-ND2 2.83Å; I87-N108 PolarHBondContact O-OD1 3.33Å; I87-Y149 WeakPolarHBondContact O-CD2 3.42Å
88N92.4Very high96Very high49 Ų4960.9 Ų60.926%0.26231%0.313SS..  trans-132.3145.9171.9-175.530.9000109.3D90 Q146 Y149N88-D90 PolarHBondContact ND2-OD1 2.89Å; N88-D90 PolarHBondContact OD1-OD1 2.86Å; N88-Q146 PolarHBondContact ND2-NE2 2.92Å; N88-Q146 PolarHBondContact OD1-NE2 2.8Å; N88-Y149 HydrophobicContact CB-CD2 3.97Å; N88-Y149 HydrophobicContact CB-CE2 4.02Å; N88-Y149 WeakPolarHBondContact OD1-CD2 3.29Å
89R90.8Very high96Very high124 Ų12466.6 Ų66.647%0.46834%0.34SS..  trans-142.798.4174.5-64.5-174.3-176-122.1-6.2107.9D100 L104R89-D100 WeakPolarHBondContact CD-OD1 3.39Å; R89-D100 IonicContact CZ-OD1 2.77Å; R89-D100 IonicContact NE-OD1 3.94Å; R89-D100 IonicContact NH1-OD1 3.91Å; R89-D100 PolarHBondContact NH1-OD1 3.21Å; R89-L104 HydrophobicContact CB-CD1 4.26Å
90D89.8Confident95.9Very high102 Ų10266 Ų6655%0.54533%0.334SS..  trans-73.9138.5-180-64.1-18000110.4N88 G145 Q146N88-D90 PolarHBondContact ND2-OD1 2.89Å; N88-D90 PolarHBondContact OD1-OD1 2.86Å; D90-G145 WeakPolarHBondContact CA-O 3.31Å; D90-Q146 WeakPolarHBondContact OD1-CG 3.44Å; D90-Q146 PolarHBondContact OD1-NE2 2.85Å
91G90.3Very high95.9Very high29 Ų2967.6 Ų67.630%0.29934%0.343SS..  trans172.4149.1179.500000112L93 G145G91-L93 PolarHBondContact O-N 3.18Å; G91-G145 CarbonylContact C-O 3.57Å; G91-G145 PolarHBondContact N-O 2.87Å; G91-G145 CarbonylContact O-C 3.28Å; G91-G145 VanDerWaalsContact O-C 3.28Å; G91-G145 WeakPolarHBondContact O-CA 3.32Å
92L94.5Very high95.9Very high107 Ų10771 Ų7156%0.5636%0.364SS*.  trans-61.1138.4169.8-61.9178.7000109.6L94 R95 T96L92-L94 PolarHBondContact O-N 3.26Å; L92-L94 VanDerWaalsContact O-N 3.11Å; L92-R95 WeakPolarHBondContact O-CA 3.44Å; L92-R95 PolarHBondContact O-N 3.36Å; L92-T96 PolarHBondContact O-N 3.07Å; L92-T96 PolarHBondContact O-OG1 3.34Å
93L97.2Very high95.8Very high91 Ų9172.5 Ų72.548%0.47638%0.376SS..G310 helixtrans-52.4-39.3-177.2-179.263.2000112.8G91 R95 T96 M101 C147 V148G91-L93 PolarHBondContact O-N 3.18Å; L93-R95 PolarHBondContact O-N 3.29Å; L93-R95 VanDerWaalsContact O-N 3.11Å; L93-T96 PolarHBondContact O-N 3.16Å; L93-T96 VanDerWaalsContact O-N 3.08Å; L93-M101 HydrophobicContact CD1-CE 3.81Å; L93-C147 HydrophobicContact CB-CB 4.43Å; L93-C147 HydrophobicContact CD1-CB 4.38Å; L93-V148 HydrophobicContact CD1-CG2 4.23Å
94L97.1Very high95.8Very high170 Ų17072.4 Ų72.489%0.8938%0.375SS*.G310 helixtrans-56.6-26.8177.4-177.564.1000113.5L92L92-L94 PolarHBondContact O-N 3.26Å; L92-L94 VanDerWaalsContact O-N 3.11Å
95R95.2Very high95.8Very high205 Ų20574.3 Ų74.377%0.77438%0.382SS*.G310 helixtrans-107-2.2-178.2-62.3-177.4178.1172.7-0.6112.8L92 L93 R97L92-R95 WeakPolarHBondContact O-CA 3.44Å; L92-R95 PolarHBondContact O-N 3.36Å; L93-R95 PolarHBondContact O-N 3.29Å; L93-R95 VanDerWaalsContact O-N 3.11Å; R95-R97 PolarHBondContact O-N 3.23Å
96T95.7Very high95.8Very high27 Ų2777.4 Ų77.417%0.16639%0.393CS..  trans-75.8121.9177.9-51.90000108.9L92 L93 D100 M101 V148L92-T96 PolarHBondContact O-N 3.07Å; L92-T96 PolarHBondContact O-OG1 3.34Å; L93-T96 PolarHBondContact O-N 3.16Å; L93-T96 VanDerWaalsContact O-N 3.08Å; T96-D100 HydrophobicContact CG2-CB 4.32Å; T96-M101 HydrophobicContact CG2-CE 4Å; T96-M101 HydrophobicContact CG2-CG 3.66Å; T96-M101 WeakPolarHBondContact O-CE 3.24Å; T96-V148 HydrophobicContact CG2-CG2 4.21Å
97R97.3Very high96Very high138 Ų13876.9 Ų76.952%0.52139%0.385SS..  trans-74.7145.5178.1-57.2177.2-63168.37.3110.5R95 E99 D100 M101R95-R97 PolarHBondContact O-N 3.23Å; R97-E99 WeakPolarHBondContact CB-OE2 3.36Å; R97-E99 PolarHBondContact O-N 3.39Å; R97-E99 VanDerWaalsContact O-N 3.15Å; R97-D100 IonicContact CZ-OD1 3.21Å; R97-D100 IonicContact CZ-OD2 2.81Å; R97-D100 IonicContact NE-OD2 2.97Å; R97-D100 PolarHBondContact NE-OD2 3.26Å; R97-D100 IonicContact NH2-OD1 3.76Å; R97-D100 PolarHBondContact NH2-OD1 3.36Å; R97-D100 IonicContact NH2-OD2 3.92Å; R97-D100 PolarHBondContact NH2-OD2 3.26Å; R97-D100 WeakPolarHBondContact O-CB 3.39Å; R97-D100 PolarHBondContact O-N 3.07Å; R97-M101 WeakPolarHBondContact O-CG 3.27Å; R97-M101 PolarHBondContact O-N 2.95Å; R97-M101 VanDerWaalsContact O-N 3.13Å
98P97.6Very high96.1Very high84 Ų8475.5 Ų75.555%0.54538%0.378SS..Hα-helixtrans-52.1-38178.6-28.436.6000113.9D100 M101 V102P98-D100 VanDerWaalsContact C-N 3.33Å; P98-D100 PolarHBondContact O-N 3.38Å; P98-M101 WeakPolarHBondContact O-CB 3.35Å; P98-M101 PolarHBondContact O-N 2.92Å; P98-M101 VanDerWaalsContact O-N 3.12Å; P98-V102 WeakPolarHBondContact O-CG2 3.4Å; P98-V102 PolarHBondContact O-N 3.18Å
99E97.5Very high96.4Very high121 Ų12174.8 Ų74.857%0.56537%0.374SS*.Hα-helixtrans-67.9-35.4-178.8-52.171-142.500111.7R97 M101 A103R97-E99 WeakPolarHBondContact CB-OE2 3.36Å; R97-E99 PolarHBondContact O-N 3.39Å; R97-E99 VanDerWaalsContact O-N 3.15Å; E99-M101 VanDerWaalsContact C-N 3.31Å; E99-A103 VanDerWaalsContact O-CB 3.29Å; E99-A103 WeakPolarHBondContact O-CB 3.49Å; E99-A103 PolarHBondContact O-N 3.23Å
100D96.6Very high96.8Very high21 Ų2171.8 Ų71.811%0.11237%0.367CS..Hα-helixtrans-67.6-36.1173.9-65.7-40000110.6R89 T96 R97 P98 L104R89-D100 WeakPolarHBondContact CD-OD1 3.39Å; R89-D100 IonicContact CZ-OD1 2.77Å; R89-D100 IonicContact NE-OD1 3.94Å; R89-D100 IonicContact NH1-OD1 3.91Å; R89-D100 PolarHBondContact NH1-OD1 3.21Å; T96-D100 HydrophobicContact CG2-CB 4.32Å; R97-D100 IonicContact CZ-OD1 3.21Å; R97-D100 IonicContact CZ-OD2 2.81Å; R97-D100 IonicContact NE-OD2 2.97Å; R97-D100 PolarHBondContact NE-OD2 3.26Å; R97-D100 IonicContact NH2-OD1 3.76Å; R97-D100 PolarHBondContact NH2-OD1 3.36Å; R97-D100 IonicContact NH2-OD2 3.92Å; R97-D100 PolarHBondContact NH2-OD2 3.26Å; R97-D100 WeakPolarHBondContact O-CB 3.39Å; R97-D100 PolarHBondContact O-N 3.07Å; P98-D100 VanDerWaalsContact C-N 3.33Å; P98-D100 PolarHBondContact O-N 3.38Å; D100-L104 WeakPolarHBondContact O-CG 3.43Å; D100-L104 PolarHBondContact O-N 3.05Å; D100-L104 VanDerWaalsContact O-N 3.08Å
101M98.1Very high97.2Very high55 Ų5567 Ų6727%0.27134%0.342SS..Hα-helixtrans-63.9-50.9175.8-50.2-169.1178.700111.3L93 T96 R97 P98 E99 A103 L104 L105 V148L93-M101 HydrophobicContact CD1-CE 3.81Å; T96-M101 HydrophobicContact CG2-CE 4Å; T96-M101 HydrophobicContact CG2-CG 3.66Å; T96-M101 WeakPolarHBondContact O-CE 3.24Å; R97-M101 WeakPolarHBondContact O-CG 3.27Å; R97-M101 PolarHBondContact O-N 2.95Å; R97-M101 VanDerWaalsContact O-N 3.13Å; P98-M101 WeakPolarHBondContact O-CB 3.35Å; P98-M101 PolarHBondContact O-N 2.92Å; P98-M101 VanDerWaalsContact O-N 3.12Å; E99-M101 VanDerWaalsContact C-N 3.31Å; M101-A103 VanDerWaalsContact C-N 3.33Å; M101-A103 PolarHBondContact O-N 2.87Å; M101-L104 PolarHBondContact O-N 3.28Å; M101-L105 WeakPolarHBondContact O-CG 3.47Å; M101-L105 PolarHBondContact O-N 3.42Å; M101-V148 HydrophobicContact CB-CG1 4.1Å; M101-V148 HydrophobicContact CB-CG2 4.3Å; M101-V148 HydrophobicContact CG-CG2 3.94Å; M101-V148 HydrophobicContact SD-CG2 4.32Å
102V98.3Very high97.6Very high72 Ų7265.8 Ų65.844%0.43633%0.329SS..Hα-helixtrans-60.9-43.8179.2173.80000110.4P98 L104 L105 H106P98-V102 WeakPolarHBondContact O-CG2 3.4Å; P98-V102 PolarHBondContact O-N 3.18Å; V102-L104 PolarHBondContact O-N 3.43Å; V102-L105 PolarHBondContact O-N 3.44Å; V102-H106 VanDerWaalsContact O-CB 3.22Å; V102-H106 WeakPolarHBondContact O-CB 3.5Å; V102-H106 PolarHBondContact O-CD2 3.15Å; V102-H106 PolarHBondContact O-N 3.01Å
103A98Very high97.8Very high31 Ų3164.4 Ų64.426%0.25632%0.32SS..Hα-helixtrans-59.2-45.2177.600000112.4I87 E99 M101 H106 T107I87-A103 HydrophobicContact CD1-CB 4.23Å; E99-A103 VanDerWaalsContact O-CB 3.29Å; E99-A103 WeakPolarHBondContact O-CB 3.49Å; E99-A103 PolarHBondContact O-N 3.23Å; M101-A103 VanDerWaalsContact C-N 3.33Å; M101-A103 PolarHBondContact O-N 2.87Å; A103-H106 PolarHBondContact O-N 3.24Å; A103-T107 WeakPolarHBondContact O-CB 3.39Å; A103-T107 PolarHBondContact O-N 2.92Å; A103-T107 PolarHBondContact O-OG1 3.41Å
104L97.5Very high97.9Very high2 Ų261.8 Ų61.81%0.0131%0.307CS..Hα-helixtrans-60.4-49.2176.6-82.6164.1000111.9I87 R89 D100 M101 V102 N108 V148 Y149I87-L104 HydrophobicContact CG1-CD2 3.95Å; I87-L104 VanDerWaalsContact O-CD2 3.24Å; I87-L104 WeakPolarHBondContact O-CD2 3.24Å; R89-L104 HydrophobicContact CB-CD1 4.26Å; D100-L104 WeakPolarHBondContact O-CG 3.43Å; D100-L104 PolarHBondContact O-N 3.05Å; D100-L104 VanDerWaalsContact O-N 3.08Å; M101-L104 PolarHBondContact O-N 3.28Å; V102-L104 PolarHBondContact O-N 3.43Å; L104-N108 WeakPolarHBondContact O-CB 3.28Å; L104-N108 PolarHBondContact O-N 2.88Å; L104-V148 HydrophobicContact CB-CG1 3.97Å; L104-V148 HydrophobicContact CD1-CB 3.91Å; L104-V148 HydrophobicContact CD1-CG1 3.97Å; L104-Y149 HydrophobicContact CD2-CD2 4.19Å
105L98.7Very high98Very high63 Ų6353.8 Ų53.833%0.3327%0.265SS..Hα-helixtrans-64.6-42.4179.8-67.3172000111.6M101 V102 L109 L110 V148M101-L105 WeakPolarHBondContact O-CG 3.47Å; M101-L105 PolarHBondContact O-N 3.42Å; V102-L105 PolarHBondContact O-N 3.44Å; L105-L109 WeakPolarHBondContact O-CA 3.31Å; L105-L109 WeakPolarHBondContact O-CB 3.41Å; L105-L109 PolarHBondContact O-N 3.11Å; L105-L110 PolarHBondContact O-N 2.8Å; L105-V148 HydrophobicContact CD2-CG1 4.49Å; L105-V148 HydrophobicContact CG-CG1 4.22Å
106H98.6Very high98.2Very high82 Ų8244 Ų4438%0.3823%0.228SC..Iπ-helixtrans-67.2-44.7-178.7-81.7-147.1000112.2V102 A103 G111V102-H106 VanDerWaalsContact O-CB 3.22Å; V102-H106 WeakPolarHBondContact O-CB 3.5Å; V102-H106 PolarHBondContact O-CD2 3.15Å; V102-H106 PolarHBondContact O-N 3.01Å; A103-H106 PolarHBondContact O-N 3.24Å; H106-G111 PolarHBondContact O-N 3.22Å
107T98.6Very high98.3Very high12 Ų1249.6 Ų49.67%0.07425%0.25CC..Iπ-helixtrans-74-49.4179.2-58.60000112V58 I87 A103V58-T107 HydrophobicContact CG2-CG2 4.21Å; I87-T107 HydrophobicContact CG1-CG2 4.31Å; I87-T107 HydrophobicContact CG2-CG2 4.29Å; A103-T107 WeakPolarHBondContact O-CB 3.39Å; A103-T107 PolarHBondContact O-N 2.92Å; A103-T107 PolarHBondContact O-OG1 3.41Å
108N98.6Very high98.4Very high0 Ų043.6 Ų43.60%023%0.23CC..Iπ-helixtrans-81.2-39.6-168.2-62.6-10.4000112.8G86 I87 L104 S112 S152G86-N108 WeakPolarHBondContact CA-OD1 3.27Å; I87-N108 PolarHBondContact N-OD1 2.77Å; I87-N108 PolarHBondContact O-ND2 2.83Å; I87-N108 PolarHBondContact O-OD1 3.33Å; L104-N108 WeakPolarHBondContact O-CB 3.28Å; L104-N108 PolarHBondContact O-N 2.88Å; N108-S112 PolarHBondContact O-OG 3.23Å; N108-S112 VanDerWaalsContact O-OG 3.05Å; N108-S152 WeakPolarHBondContact CB-OG 3.48Å; N108-S152 PolarHBondContact ND2-OG 2.91Å; N108-S152 VanDerWaalsContact ND2-OG 3.11Å
109L98.8Very high98.4Very high35 Ų3539.6 Ų39.618%0.18320%0.204CC..Iπ-helixtrans-100-65.7-175178.357.8000110.9L105 G111 S112 M113 L156L105-L109 WeakPolarHBondContact O-CA 3.31Å; L105-L109 WeakPolarHBondContact O-CB 3.41Å; L105-L109 PolarHBondContact O-N 3.11Å; L109-G111 VanDerWaalsContact C-N 3.29Å; L109-G111 PolarHBondContact O-N 3.16Å; L109-S112 PolarHBondContact O-N 3.17Å; L109-S112 VanDerWaalsContact O-N 3.15Å; L109-M113 HydrophobicContact CD1-SD 4.21Å; L109-M113 HydrophobicContact CG-SD 4.18Å; L109-M113 WeakPolarHBondContact O-CG 3.42Å; L109-M113 PolarHBondContact O-N 3.3Å; L109-M113 VanDerWaalsContact O-N 3.09Å; L109-L156 HydrophobicContact CD1-CD2 3.79Å; L109-L156 HydrophobicContact CD1-CG 4.03Å
110L98.9Very high98.4Very high61 Ų6134.6 Ų34.632%0.31918%0.181SC..Iπ-helixtrans-59.8-40.1-176.8178.161.1000111.7L105 S112 M113 L114L105-L110 PolarHBondContact O-N 2.8Å; L110-S112 VanDerWaalsContact C-N 3.33Å; L110-S112 PolarHBondContact O-N 2.89Å; L110-M113 CarbonylContact O-C 3.54Å; L110-M113 WeakPolarHBondContact O-CA 3.3Å; L110-M113 WeakPolarHBondContact O-CB 3.47Å; L110-M113 PolarHBondContact O-N 3.01Å; L110-L114 HydrophobicContact CD1-CD1 4.27Å; L110-L114 HydrophobicContact CD1-CD2 4.48Å; L110-L114 HydrophobicContact CD1-CG 4.06Å; L110-L114 HydrophobicContact CD2-CD1 4.46Å; L110-L114 HydrophobicContact CG-CD1 3.88Å; L110-L114 HydrophobicContact CG-CG 4.17Å; L110-L114 WeakPolarHBondContact O-CG 3.41Å; L110-L114 PolarHBondContact O-N 2.76Å
111G98.8Very high98.3Very high1 Ų139.4 Ų39.41%0.0120%0.198CC..Hα-helixtrans-61.7-38.6178.600000113.6V58 H106 L109 M113 L114 T115V58-G111 WeakPolarHBondContact O-CA 3.35Å; H106-G111 PolarHBondContact O-N 3.22Å; L109-G111 VanDerWaalsContact C-N 3.29Å; L109-G111 PolarHBondContact O-N 3.16Å; G111-M113 VanDerWaalsContact C-N 3.34Å; G111-L114 PolarHBondContact O-N 3.19Å; G111-T115 WeakPolarHBondContact O-CB 3.45Å; G111-T115 VanDerWaalsContact O-CG2 3.27Å; G111-T115 WeakPolarHBondContact O-CG2 3.19Å; G111-T115 PolarHBondContact O-N 2.86Å; G111-T115 PolarHBondContact O-OG1 3.27Å
112S98.8Very high98.1Very high4 Ų436.9 Ų36.93%0.02819%0.186CC..Hα-helixtrans-66.1-37.6171.8-58.20000111.6N83 N108 L109 L110 T115 C116N83-S112 PolarHBondContact ND2-O 2.92Å; N108-S112 PolarHBondContact O-OG 3.23Å; N108-S112 VanDerWaalsContact O-OG 3.05Å; L109-S112 PolarHBondContact O-N 3.17Å; L109-S112 VanDerWaalsContact O-N 3.15Å; L110-S112 VanDerWaalsContact C-N 3.33Å; L110-S112 PolarHBondContact O-N 2.89Å; S112-T115 WeakPolarHBondContact CA-OG1 3.33Å; S112-T115 PolarHBondContact O-OG1 3.14Å; S112-C116 VanDerWaalsContact O-CB 3.29Å; S112-C116 WeakPolarHBondContact O-CB 3.43Å; S112-C116 PolarHBondContact O-N 3.31Å; S112-C116 PolarHBondContact O-SG 3.13Å
113M98.9Very high98.1Very high77 Ų7733.5 Ų33.538%0.37917%0.165SC..Hα-helixtrans-65.1-43.6176.2-61.6171.469.500112L109 L110 G111 K117 F159L109-M113 HydrophobicContact CD1-SD 4.21Å; L109-M113 HydrophobicContact CG-SD 4.18Å; L109-M113 WeakPolarHBondContact O-CG 3.42Å; L109-M113 PolarHBondContact O-N 3.3Å; L109-M113 VanDerWaalsContact O-N 3.09Å; L110-M113 CarbonylContact O-C 3.54Å; L110-M113 WeakPolarHBondContact O-CA 3.3Å; L110-M113 WeakPolarHBondContact O-CB 3.47Å; L110-M113 PolarHBondContact O-N 3.01Å; G111-M113 VanDerWaalsContact C-N 3.34Å; M113-K117 WeakPolarHBondContact O-CB 3.39Å; M113-K117 PolarHBondContact O-N 2.89Å; M113-F159 HydrophobicContact CB-CE2 4.16Å; M113-F159 HydrophobicContact CB-CZ 4.09Å; M113-F159 HydrophobicContact CE-CD2 4.23Å; M113-F159 HydrophobicContact CE-CE2 4.44Å; M113-F159 HydrophobicContact CG-CD1 4.11Å; M113-F159 HydrophobicContact CG-CD2 3.8Å; M113-F159 HydrophobicContact CG-CE1 4.06Å; M113-F159 HydrophobicContact CG-CE2 3.76Å; M113-F159 HydrophobicContact CG-CG 3.98Å; M113-F159 HydrophobicContact CG-CZ 3.89Å
114L98.9Very high98Very high37 Ų3735.5 Ų35.519%0.19417%0.171CC..Hα-helixtrans-65.1-46179.5-70.4169.4000111.9V64 L110 G111 K117 A118V64-L114 HydrophobicContact CB-CB 4.43Å; V64-L114 HydrophobicContact CG1-CB 4.16Å; V64-L114 HydrophobicContact CG2-CB 4.34Å; L110-L114 HydrophobicContact CD1-CD1 4.27Å; L110-L114 HydrophobicContact CD1-CD2 4.48Å; L110-L114 HydrophobicContact CD1-CG 4.06Å; L110-L114 HydrophobicContact CD2-CD1 4.46Å; L110-L114 HydrophobicContact CG-CD1 3.88Å; L110-L114 HydrophobicContact CG-CG 4.17Å; L110-L114 WeakPolarHBondContact O-CG 3.41Å; L110-L114 PolarHBondContact O-N 2.76Å; G111-L114 PolarHBondContact O-N 3.19Å; L114-K117 WeakPolarHBondContact O-CB 3.49Å; L114-K117 PolarHBondContact O-N 3.02Å; L114-A118 PolarHBondContact O-N 2.78Å
115T98.9Very high97.8Very high1 Ų142.1 Ų42.11%0.00620%0.202CC..Hα-helixtrans-67.1-40.3178.849.50000111.8V58 V64 F68 N83 G111 S112 A118 A119V58-T115 HydrophobicContact CB-CG2 4.28Å; V58-T115 HydrophobicContact CG1-CG2 3.96Å; V64-T115 HydrophobicContact CG1-CG2 3.95Å; V64-T115 HydrophobicContact CG2-CG2 4.23Å; F68-T115 HydrophobicContact CE2-CG2 4.07Å; N83-T115 PolarHBondContact ND2-OG1 2.79Å; N83-T115 PolarHBondContact OD1-OG1 3.07Å; G111-T115 WeakPolarHBondContact O-CB 3.45Å; G111-T115 VanDerWaalsContact O-CG2 3.27Å; G111-T115 WeakPolarHBondContact O-CG2 3.19Å; G111-T115 PolarHBondContact O-N 2.86Å; G111-T115 PolarHBondContact O-OG1 3.27Å; S112-T115 WeakPolarHBondContact CA-OG1 3.33Å; S112-T115 PolarHBondContact O-OG1 3.14Å; T115-A118 PolarHBondContact O-N 3.3Å; T115-A119 WeakPolarHBondContact O-CB 3.4Å; T115-A119 PolarHBondContact O-N 3.2Å
116C98.9Very high97.7Very high1 Ų142.2 Ų42.21%0.00721%0.205CC..Hα-helixtrans-57.2-51.6169.6-75.80000111.1N83 S112 A118 A119 L120 I131 F159 L163N83-C116 PolarHBondContact ND2-SG 2.97Å; N83-C116 VanDerWaalsContact ND2-SG 3.43Å; S112-C116 VanDerWaalsContact O-CB 3.29Å; S112-C116 WeakPolarHBondContact O-CB 3.43Å; S112-C116 PolarHBondContact O-N 3.31Å; S112-C116 PolarHBondContact O-SG 3.13Å; C116-A118 VanDerWaalsContact C-N 3.25Å; C116-A118 PolarHBondContact O-N 3.23Å; C116-A119 PolarHBondContact O-N 3.32Å; C116-L120 VanDerWaalsContact O-CG 3.24Å; C116-L120 WeakPolarHBondContact O-CG 3.22Å; C116-L120 PolarHBondContact O-N 3.11Å; C116-I131 HydrophobicContact CB-CD1 4.45Å; C116-F159 HydrophobicContact CB-CE1 4.24Å; C116-F159 HydrophobicContact CB-CZ 3.82Å; C116-L163 HydrophobicContact CB-CD2 3.94Å
117K98.6Very high97.4Very high143 Ų14344.2 Ų44.262%0.62222%0.215SC*.Hα-helixtrans-54.5-42.2178.2178.1-177.7177.1-178.50112M113 L114M113-K117 WeakPolarHBondContact O-CB 3.39Å; M113-K117 PolarHBondContact O-N 2.89Å; L114-K117 WeakPolarHBondContact O-CB 3.49Å; L114-K117 PolarHBondContact O-N 3.02Å
118A98.5Very high97.2Very high12 Ų1244.8 Ų44.810%0.09922%0.222CC..Hα-helixtrans-68.7-45.417900000112.4V64 F68 L114 T115 C116 L120 R121V64-A118 HydrophobicContact CG1-CB 3.97Å; F68-A118 HydrophobicContact CB-CB 3.73Å; F68-A118 HydrophobicContact CD1-CB 3.86Å; F68-A118 HydrophobicContact CD2-CB 3.77Å; F68-A118 HydrophobicContact CE1-CB 4.42Å; F68-A118 HydrophobicContact CE2-CB 4.33Å; F68-A118 HydrophobicContact CG-CB 3.49Å; F68-A118 VanDerWaalsContact CG-CB 3.49Å; L114-A118 PolarHBondContact O-N 2.78Å; T115-A118 PolarHBondContact O-N 3.3Å; C116-A118 VanDerWaalsContact C-N 3.25Å; C116-A118 PolarHBondContact O-N 3.23Å; A118-L120 VanDerWaalsContact C-N 3.33Å; A118-L120 PolarHBondContact O-N 2.86Å; A118-R121 PolarHBondContact O-N 2.92Å
119A98.4Very high97.2Very high0 Ų045.3 Ų45.30%023%0.228CC..Hα-helixtrans-64.6-34.4178.900000113.3F68 V78 L81 T115 C116 R121 S122 M123F68-A119 HydrophobicContact CD1-CB 4.37Å; F68-A119 HydrophobicContact CE1-CB 3.74Å; V78-A119 HydrophobicContact CG1-CB 4.37Å; L81-A119 HydrophobicContact CB-CB 4.29Å; L81-A119 HydrophobicContact CD2-CB 3.77Å; L81-A119 HydrophobicContact CG-CB 4.49Å; T115-A119 WeakPolarHBondContact O-CB 3.4Å; T115-A119 PolarHBondContact O-N 3.2Å; C116-A119 PolarHBondContact O-N 3.32Å; A119-R121 PolarHBondContact O-N 2.88Å; A119-R121 VanDerWaalsContact O-N 3.16Å; A119-S122 PolarHBondContact O-N 2.91Å; A119-M123 HydrophobicContact CB-CE 4.3Å; A119-M123 PolarHBondContact O-N 3.12Å
120L97.9Very high97.2Very high17 Ų1743.7 Ų43.79%0.08922%0.22CC..Hα-helixtrans-57.8-30.4-179.6-76.2171.9000112.9C116 A118 S122 M123 L124 I131 L163 V167 V172C116-L120 VanDerWaalsContact O-CG 3.24Å; C116-L120 WeakPolarHBondContact O-CG 3.22Å; C116-L120 PolarHBondContact O-N 3.11Å; A118-L120 VanDerWaalsContact C-N 3.33Å; A118-L120 PolarHBondContact O-N 2.86Å; L120-S122 VanDerWaalsContact C-N 3.29Å; L120-S122 PolarHBondContact O-N 3.04Å; L120-M123 PolarHBondContact O-N 3.46Å; L120-L124 HydrophobicContact CB-CD1 4.35Å; L120-L124 VanDerWaalsContact O-CB 3.24Å; L120-L124 WeakPolarHBondContact O-CB 3.43Å; L120-L124 WeakPolarHBondContact O-CG 3.31Å; L120-L124 PolarHBondContact O-N 3.42Å; L120-I131 HydrophobicContact CD2-CD1 4.37Å; L120-L163 HydrophobicContact CD1-CD1 3.72Å; L120-L163 HydrophobicContact CD1-CD2 4.46Å; L120-V167 HydrophobicContact CD1-CG1 4.29Å; L120-V167 HydrophobicContact CD2-CB 4.33Å; L120-V167 HydrophobicContact CD2-CG1 3.79Å; L120-V167 HydrophobicContact CD2-CG2 4.34Å; L120-V172 HydrophobicContact CD2-CG1 4.2Å
121R93.9Very high97.2Very high121 Ų12140.8 Ų40.846%0.45721%0.205SC..Hα-helixtrans-55.6-46175.7-64.6-179.2179.5174.40.1111.5E69 A118 A119 H125E69-R121 IonicContact OE1-NH1 2.76Å; E69-R121 PolarHBondContact OE1-NH1 3.43Å; E69-R121 VanDerWaalsContact OE1-NH1 3.15Å; A118-R121 PolarHBondContact O-N 2.92Å; A119-R121 PolarHBondContact O-N 2.88Å; A119-R121 VanDerWaalsContact O-N 3.16Å; R121-H125 WeakPolarHBondContact O-CB 3.39Å; R121-H125 PolarHBondContact O-N 2.94Å
122S94.7Very high97.2Very high3 Ų340.8 Ų40.82%0.02120%0.204CC..Hα-helixtrans-70-45176.3-74.20000112.4V78 A119 L120 L124 H125 T126V78-S122 PolarHBondContact N-OG 3.08Å; A119-S122 PolarHBondContact O-N 2.91Å; L120-S122 VanDerWaalsContact C-N 3.29Å; L120-S122 PolarHBondContact O-N 3.04Å; S122-L124 PolarHBondContact O-N 2.9Å; S122-H125 PolarHBondContact O-N 3.05Å; S122-T126 PolarHBondContact O-N 2.93Å; S122-T126 PolarHBondContact O-OG1 2.94Å
123M97.9Very high97.2Very high0 Ų040.6 Ų40.60%020%0.203CC..Hα-helixtrans-68.2-36.7-175.2-65.5178176.300112.5V78 L81 A119 L120 T126 Q127 G128 I131 V172V78-M123 HydrophobicContact CG1-CE 4.1Å; V78-M123 WeakPolarHBondContact O-CG 3.45Å; L81-M123 HydrophobicContact CB-CE 4.09Å; A119-M123 HydrophobicContact CB-CE 4.3Å; A119-M123 PolarHBondContact O-N 3.12Å; L120-M123 PolarHBondContact O-N 3.46Å; M123-T126 PolarHBondContact O-OG1 2.72Å; M123-Q127 WeakPolarHBondContact O-CA 3.48Å; M123-Q127 PolarHBondContact O-N 3.09Å; M123-G128 WeakPolarHBondContact CA-O 3.42Å; M123-G128 PolarHBondContact O-N 2.9Å; M123-I131 HydrophobicContact CE-CD1 4.47Å; M123-I131 HydrophobicContact CE-CG1 3.85Å; M123-I131 HydrophobicContact SD-CD1 4.02Å; M123-I131 HydrophobicContact SD-CG1 3.86Å; M123-V172 HydrophobicContact CB-CG1 4.47Å; M123-V172 HydrophobicContact CB-CG2 3.79Å; M123-V172 HydrophobicContact SD-CG1 3.78Å
124L95.1Very high97.2Very high74 Ų7437.4 Ų37.439%0.38719%0.188SC..Hα-helixtrans-71.8-38.3175.9-66.1176.1000111.7L120 S122 T126 Q127 R170L120-L124 HydrophobicContact CB-CD1 4.35Å; L120-L124 VanDerWaalsContact O-CB 3.24Å; L120-L124 WeakPolarHBondContact O-CB 3.43Å; L120-L124 WeakPolarHBondContact O-CG 3.31Å; L120-L124 PolarHBondContact O-N 3.42Å; S122-L124 PolarHBondContact O-N 2.9Å; L124-T126 VanDerWaalsContact C-N 3.33Å; L124-Q127 PolarHBondContact O-N 3.4Å; L124-R170 HydrophobicContact CD2-CB 3.71Å; L124-R170 HydrophobicContact CD2-CG 3.72Å
125H94.2Very high97.2Very high141 Ų14135.8 Ų35.865%0.65318%0.18SC*.Hα-helixtrans-62-40.8174174.3-89.2000111.9R121 S122R121-H125 WeakPolarHBondContact O-CB 3.39Å; R121-H125 PolarHBondContact O-N 2.94Å; S122-H125 PolarHBondContact O-N 3.05Å
126T94.9Very high97.1Very high64 Ų6436.4 Ų36.439%0.39318%0.184SC..THydrogen-bonded Turntrans-89.2-2179.454.10000113.9N77 S122 M123 L124 G128N77-T126 HydrophobicContact CB-CG2 3.66Å; N77-T126 WeakPolarHBondContact ND2-CG2 3.41Å; S122-T126 PolarHBondContact O-N 2.93Å; S122-T126 PolarHBondContact O-OG1 2.94Å; M123-T126 PolarHBondContact O-OG1 2.72Å; L124-T126 VanDerWaalsContact C-N 3.33Å; T126-G128 VanDerWaalsContact C-N 3.27Å; T126-G128 PolarHBondContact O-N 2.95Å; T126-G128 PolarHBondContact OG1-O 3.49Å
127Q92.4Very high97Very high125 Ų12536.9 Ų36.958%0.58419%0.187SC*.THydrogen-bonded Turntrans50.643-176.8-58.3-171-30.600113.8M123 L124 R170 N171M123-Q127 WeakPolarHBondContact O-CA 3.48Å; M123-Q127 PolarHBondContact O-N 3.09Å; L124-Q127 PolarHBondContact O-N 3.4Å; Q127-R170 CarbonylContact C-O 3.57Å; Q127-N171 WeakPolarHBondContact O-CB 3.49Å; Q127-N171 PolarHBondContact O-ND2 2.94Å
128G95.7Very high96.8Very high23 Ų2330.8 Ų30.824%0.23716%0.161CC..  trans-177.5149.8177.300000113.4M123 T126 R170M123-G128 WeakPolarHBondContact CA-O 3.42Å; M123-G128 PolarHBondContact O-N 2.9Å; T126-G128 VanDerWaalsContact C-N 3.27Å; T126-G128 PolarHBondContact O-N 2.95Å; T126-G128 PolarHBondContact OG1-O 3.49Å; G128-R170 PolarHBondContact N-O 3.18Å
129G98Very high96.7Very high12 Ų1230.7 Ų30.712%0.12416%0.162CC..EExtended strand (participates in β ladder)trans168.9173.4172.600000113.1S79 N171 V172 R173S79-G129 WeakPolarHBondContact O-CA 3.27Å; G129-N171 PolarHBondContact N-O 3.06Å; G129-V172 WeakPolarHBondContact O-CA 3.48Å; G129-R173 PolarHBondContact O-N 2.98Å
130A98.8Very high96.6Very high1 Ų133.4 Ų33.41%0.00818%0.176CC..EExtended strand (participates in β ladder)trans-140.3140.6171.800000111.6S79 Y80 L81 R173 L218S79-A130 PolarHBondContact O-N 2.86Å; Y80-A130 VanDerWaalsContact CA-O 3.29Å; Y80-A130 WeakPolarHBondContact CA-O 3.42Å; Y80-A130 HydrophobicContact CD1-CB 3.59Å; Y80-A130 HydrophobicContact CE1-CB 3.66Å; L81-A130 PolarHBondContact N-O 2.9Å; A130-R173 CarbonylContact C-O 3.54Å; A130-R173 VanDerWaalsContact CA-O 3.29Å; A130-R173 WeakPolarHBondContact CA-O 3.38Å; A130-L218 HydrophobicContact CB-CD2 3.82Å
131I98.9Very high96.4Very high0 Ų038.7 Ų38.70%020%0.199CC..EExtended strand (participates in β ladder)trans-123.1131.8179.4-55.1179.9000108.5L81 C116 L120 M123 L163 R173 V174 N175L81-I131 HydrophobicContact CB-CG1 4.2Å; L81-I131 HydrophobicContact CB-CG2 4.35Å; L81-I131 HydrophobicContact CD2-CG2 4.13Å; L81-I131 HydrophobicContact CG-CG2 4.37Å; L81-I131 CarbonylContact O-C 3.55Å; L81-I131 WeakPolarHBondContact O-CA 3.34Å; C116-I131 HydrophobicContact CB-CD1 4.45Å; L120-I131 HydrophobicContact CD2-CD1 4.37Å; M123-I131 HydrophobicContact CE-CD1 4.47Å; M123-I131 HydrophobicContact CE-CG1 3.85Å; M123-I131 HydrophobicContact SD-CD1 4.02Å; M123-I131 HydrophobicContact SD-CG1 3.86Å; I131-L163 HydrophobicContact CD1-CD2 4.34Å; I131-R173 PolarHBondContact N-O 2.85Å; I131-V174 HydrophobicContact CB-CB 4.38Å; I131-V174 HydrophobicContact CB-CG1 4.02Å; I131-V174 HydrophobicContact CB-CG2 4.17Å; I131-V174 HydrophobicContact CD1-CG2 4.08Å; I131-V174 HydrophobicContact CG1-CG2 4.34Å; I131-V174 HydrophobicContact CG2-CG1 4.15Å; I131-V174 WeakPolarHBondContact O-CA 3.15Å; I131-N175 PolarHBondContact O-N 3.09Å
132V98.9Very high96.4Very high1 Ų134.7 Ų34.71%0.00620%0.195CC..EExtended strand (participates in β ladder)trans-120.7118.3168.5177.20000109.6L81 V82 N83 I134 N175 L177 V214 L217 L218L81-V132 PolarHBondContact O-N 3.24Å; V82-V132 WeakPolarHBondContact CA-O 3.24Å; N83-V132 PolarHBondContact N-O 3.46Å; V132-I134 HydrophobicContact CG1-CD1 4.16Å; V132-N175 WeakPolarHBondContact CA-O 3.11Å; V132-L177 HydrophobicContact CG1-CB 4.03Å; V132-V214 HydrophobicContact CB-CG1 4.13Å; V132-V214 HydrophobicContact CG1-CG1 4.12Å; V132-V214 HydrophobicContact CG1-CG2 4.19Å; V132-V214 HydrophobicContact CG2-CG1 4.32Å; V132-L217 HydrophobicContact CG1-CD1 4.29Å; V132-L217 HydrophobicContact CG2-CB 3.69Å; V132-L217 HydrophobicContact CG2-CD1 4.34Å; V132-L218 HydrophobicContact CB-CD2 4.45Å; V132-L218 HydrophobicContact CG2-CD2 3.74Å; V132-L218 HydrophobicContact CG2-CG 3.87Å
133N98.9Very high96.3Very high0 Ų038.1 Ų38.10%021%0.213CC..EExtended strand (participates in β ladder)trans-91.2133.7171.5-64-43.7000109.5N83 G135 T160 N175 L176 L177N83-N133 PolarHBondContact ND2-OD1 3.43Å; N133-G135 PolarHBondContact O-N 2.95Å; N133-T160 PolarHBondContact ND2-OG1 2.95Å; N133-N175 PolarHBondContact N-O 3.38Å; N133-L176 HydrophobicContact CB-CD1 3.78Å; N133-L176 WeakPolarHBondContact O-CA 3.44Å; N133-L176 WeakPolarHBondContact O-CD1 3.19Å; N133-L177 PolarHBondContact O-N 3.15Å
134I98.8Very high96Very high10 Ų1042.5 Ų42.55%0.05125%0.249CC..EExtended strand (participates in β ladder)trans-89.6103.3174.9-53.3-58000109.5I14 V82 N83 A84 V132 K153 L177 P179 V214I14-I134 HydrophobicContact CD1-CG2 4.41Å; I14-I134 HydrophobicContact CG2-CD1 4.42Å; V82-I134 HydrophobicContact CG1-CD1 4.4Å; V82-I134 HydrophobicContact CG1-CG1 4.38Å; N83-I134 VanDerWaalsContact O-CB 3.32Å; N83-I134 WeakPolarHBondContact O-CB 3.34Å; N83-I134 WeakPolarHBondContact O-CG1 3.39Å; N83-I134 PolarHBondContact O-N 3.16Å; A84-I134 HydrophobicContact CB-CG1 3.86Å; V132-I134 HydrophobicContact CG1-CD1 4.16Å; I134-K153 PolarHBondContact O-NZ 3.07Å; I134-L177 HydrophobicContact CD1-CB 4.12Å; I134-L177 HydrophobicContact CD1-CD2 4.04Å; I134-P179 HydrophobicContact CG2-CG 4.05Å; I134-V214 HydrophobicContact CD1-CG2 3.71Å
135G97.9Very high95.9Very high3 Ų339.6 Ų39.63%0.03124%0.237CC..  trans-81.8-146.7172.800000113N133 L177N133-G135 PolarHBondContact O-N 2.95Å; G135-L177 WeakPolarHBondContact CA-O 3.36Å; G135-L177 PolarHBondContact N-O 2.95Å
136S97.5Very high96Very high13 Ų1333.7 Ų33.79%0.09121%0.21CC..  trans-165.9149.3170.8175.80000108.6V138 G139S136-V138 PolarHBondContact O-N 3.4Å; S136-V138 WeakPolarHBondContact OG-CB 3.48Å; S136-V138 PolarHBondContact OG-N 3.42Å; S136-V138 VanDerWaalsContact OG-N 3.14Å; S136-G139 PolarHBondContact O-N 3.2Å
137V96.6Very high96.1Very high12 Ų1233.8 Ų33.87%0.07321%0.212CC..Hα-helixtrans-58.3-26.9168.7-63.70000112.7G139 L140 K141 P179 V229 D231 L234V137-G139 PolarHBondContact O-N 3Å; V137-L140 WeakPolarHBondContact O-CB 3.24Å; V137-L140 PolarHBondContact O-N 2.94Å; V137-K141 PolarHBondContact O-N 3.32Å; V137-P179 PolarHBondContact N-O 3.26Å; V137-V229 HydrophobicContact CG1-CG1 3.6Å; V137-D231 HydrophobicContact CG1-CB 3.76Å; V137-L234 HydrophobicContact CG2-CD2 4.22Å
138V95.3Very high96.3Very high14 Ų1428.5 Ų28.59%0.08519%0.189CC..Hα-helixtrans-63.5-30.3174.2175.40000111.6S136 L140 G142 N143 Q146 Y149 S150S136-V138 PolarHBondContact O-N 3.4Å; S136-V138 WeakPolarHBondContact OG-CB 3.48Å; S136-V138 PolarHBondContact OG-N 3.42Å; S136-V138 VanDerWaalsContact OG-N 3.14Å; V138-L140 VanDerWaalsContact C-N 3.27Å; V138-L140 PolarHBondContact O-N 2.96Å; V138-G142 WeakPolarHBondContact O-CA 3.33Å; V138-G142 PolarHBondContact O-N 3.13Å; V138-N143 HydrophobicContact CB-CB 4.47Å; V138-N143 HydrophobicContact CG1-CB 3.8Å; V138-N143 HydrophobicContact CG2-CB 4.01Å; V138-Q146 HydrophobicContact CG1-CB 4.03Å; V138-Y149 HydrophobicContact CB-CD1 4.3Å; V138-Y149 HydrophobicContact CB-CE1 4.22Å; V138-Y149 HydrophobicContact CG1-CD1 3.91Å; V138-Y149 HydrophobicContact CG1-CE1 4.33Å; V138-S150 WeakPolarHBondContact CG1-OG 3.15Å; V138-S150 WeakPolarHBondContact O-CB 3.16Å; V138-S150 PolarHBondContact O-OG 3Å
139G96Very high96.4Very high11 Ų1128.7 Ų28.711%0.11318%0.182CC..Hα-helixtrans-69.6-24.5172.100000113.6S136 V137 A154S136-G139 PolarHBondContact O-N 3.2Å; V137-G139 PolarHBondContact O-N 3Å; G139-A154 VanDerWaalsContact O-CB 3.25Å; G139-A154 WeakPolarHBondContact O-CB 3.34Å
140L96Very high96.4Very high57 Ų5728.8 Ų28.830%0.29818%0.181SC..Hα-helixtrans-91.1-37.3-178.1-53.3179.7000112V137 V138 E157 A178 V227 V229V137-L140 WeakPolarHBondContact O-CB 3.24Å; V137-L140 PolarHBondContact O-N 2.94Å; V138-L140 VanDerWaalsContact C-N 3.27Å; V138-L140 PolarHBondContact O-N 2.96Å; L140-E157 WeakPolarHBondContact CD2-OE2 3.48Å; L140-A178 HydrophobicContact CD1-CB 4Å; L140-V227 HydrophobicContact CD1-CG1 4.07Å; L140-V227 HydrophobicContact CD2-CG1 4.44Å; L140-V229 HydrophobicContact CD1-CG2 3.97Å
141K94Very high96.4Very high128 Ų12831.3 Ų31.356%0.55720%0.202SC*.Hα-helixtrans-115.7-15-170.2-58.3-157.7162.3-158.40114.5V137 Q235V137-K141 PolarHBondContact O-N 3.32Å; K141-Q235 HydrophobicContact CD-CB 3.89Å; K141-Q235 PolarHBondContact NZ-O 2.81Å
142G93Very high96.3Very high37 Ų3731.3 Ų31.338%0.38120%0.202SC..  trans75.9166.9-16700000112.5V138V138-G142 WeakPolarHBondContact O-CA 3.33Å; V138-G142 PolarHBondContact O-N 3.13Å
143N92.4Very high96.3Very high75 Ų7531.8 Ų31.840%0.40120%0.204SC..  trans-154.7139.4167.3-176.236.2000108V138 G145 Q146V138-N143 HydrophobicContact CB-CB 4.47Å; V138-N143 HydrophobicContact CG1-CB 3.8Å; V138-N143 HydrophobicContact CG2-CB 4.01Å; N143-G145 PolarHBondContact O-N 3.39Å; N143-Q146 HydrophobicContact CB-CB 4.33Å; N143-Q146 HydrophobicContact CB-CG 4.39Å; N143-Q146 PolarHBondContact ND2-OE1 3.15Å; N143-Q146 PolarHBondContact O-N 2.96Å; N143-Q146 VanDerWaalsContact O-N 3.13Å
144A92.8Very high96.3Very high91 Ų9133.8 Ų33.875%0.75222%0.22SC*.THydrogen-bonded Turntrans-61.4135.2179.600000110.2Q146A144-Q146 VanDerWaalsContact C-N 3.33Å
145G93.1Very high96.3Very high14 Ų1434.6 Ų34.614%0.14423%0.231CC..THydrogen-bonded Turntrans808.4-176.100000115.1D90 G91 N143D90-G145 WeakPolarHBondContact CA-O 3.31Å; G91-G145 CarbonylContact C-O 3.57Å; G91-G145 PolarHBondContact N-O 2.87Å; G91-G145 CarbonylContact O-C 3.28Å; G91-G145 VanDerWaalsContact O-C 3.28Å; G91-G145 WeakPolarHBondContact O-CA 3.32Å; N143-G145 PolarHBondContact O-N 3.39Å
146Q95.1Very high96.3Very high17 Ų1734.4 Ų34.48%0.07923%0.23CC..  trans-127.821.1-179.3-60.6-162.8-75.900114N88 D90 V138 N143 A144 V148 Y149 S150N88-Q146 PolarHBondContact ND2-NE2 2.92Å; N88-Q146 PolarHBondContact OD1-NE2 2.8Å; D90-Q146 WeakPolarHBondContact OD1-CG 3.44Å; D90-Q146 PolarHBondContact OD1-NE2 2.85Å; V138-Q146 HydrophobicContact CG1-CB 4.03Å; N143-Q146 HydrophobicContact CB-CB 4.33Å; N143-Q146 HydrophobicContact CB-CG 4.39Å; N143-Q146 PolarHBondContact ND2-OE1 3.15Å; N143-Q146 PolarHBondContact O-N 2.96Å; N143-Q146 VanDerWaalsContact O-N 3.13Å; A144-Q146 VanDerWaalsContact C-N 3.33Å; Q146-V148 VanDerWaalsContact C-N 3.3Å; Q146-V148 PolarHBondContact O-N 3.46Å; Q146-Y149 PolarHBondContact O-N 3.4Å; Q146-S150 PolarHBondContact O-N 3.21Å; Q146-S150 PolarHBondContact O-OG 3.36Å
147C97.1Very high96.3Very high65 Ų6535.9 Ų35.944%0.43924%0.235SC..Hα-helixtrans-47.1-46.5-170.7-61.60000114.4L93 A151L93-C147 HydrophobicContact CB-CB 4.43Å; L93-C147 HydrophobicContact CD1-CB 4.38Å; C147-A151 WeakPolarHBondContact O-CB 3.46Å; C147-A151 PolarHBondContact O-N 2.91Å
148V97.6Very high96.4Very high15 Ų1537.2 Ų37.29%0.09125%0.251CS..Hα-helixtrans-76-36.7-178.5-171.40000112.4L93 T96 M101 L104 L105 Q146 A151 S152L93-V148 HydrophobicContact CD1-CG2 4.23Å; T96-V148 HydrophobicContact CG2-CG2 4.21Å; M101-V148 HydrophobicContact CB-CG1 4.1Å; M101-V148 HydrophobicContact CB-CG2 4.3Å; M101-V148 HydrophobicContact CG-CG2 3.94Å; M101-V148 HydrophobicContact SD-CG2 4.32Å; L104-V148 HydrophobicContact CB-CG1 3.97Å; L104-V148 HydrophobicContact CD1-CB 3.91Å; L104-V148 HydrophobicContact CD1-CG1 3.97Å; L105-V148 HydrophobicContact CD2-CG1 4.49Å; L105-V148 HydrophobicContact CG-CG1 4.22Å; Q146-V148 VanDerWaalsContact C-N 3.3Å; Q146-V148 PolarHBondContact O-N 3.46Å; V148-A151 PolarHBondContact O-N 3.38Å; V148-S152 WeakPolarHBondContact O-CB 3.3Å; V148-S152 PolarHBondContact O-N 3.03Å
149Y97.6Very high96.6Very high26 Ų2638.4 Ų38.410%0.10226%0.255CS..Hα-helixtrans-62.1-46.7172.7179.6-94.8000110.5I87 N88 L104 V138 Q146 A151 S152 K153I87-Y149 WeakPolarHBondContact O-CD2 3.42Å; N88-Y149 HydrophobicContact CB-CD2 3.97Å; N88-Y149 HydrophobicContact CB-CE2 4.02Å; N88-Y149 WeakPolarHBondContact OD1-CD2 3.29Å; L104-Y149 HydrophobicContact CD2-CD2 4.19Å; V138-Y149 HydrophobicContact CB-CD1 4.3Å; V138-Y149 HydrophobicContact CB-CE1 4.22Å; V138-Y149 HydrophobicContact CG1-CD1 3.91Å; V138-Y149 HydrophobicContact CG1-CE1 4.33Å; Q146-Y149 PolarHBondContact O-N 3.4Å; Y149-A151 PolarHBondContact O-N 3.32Å; Y149-S152 WeakPolarHBondContact O-CB 3.47Å; Y149-S152 PolarHBondContact O-N 2.92Å; Y149-S152 VanDerWaalsContact O-N 3.12Å; Y149-S152 PolarHBondContact O-OG 3.07Å; Y149-K153 HydrophobicContact CD1-CG 4.27Å; Y149-K153 HydrophobicContact CE1-CG 3.82Å; Y149-K153 HydrophobicContact CE2-CG 4.23Å; Y149-K153 PolarHBondContact O-N 3.11Å; Y149-K153 WeakPolarHBondContact OH-CE 3.5Å
150S97.8Very high96.8Very high15 Ų1537.9 Ų37.911%0.10525%0.25CC..Hα-helixtrans-54-50.1173-50.70000111.1V138 Q146 S152 K153 A154V138-S150 WeakPolarHBondContact CG1-OG 3.15Å; V138-S150 WeakPolarHBondContact O-CB 3.16Å; V138-S150 PolarHBondContact O-OG 3Å; Q146-S150 PolarHBondContact O-N 3.21Å; Q146-S150 PolarHBondContact O-OG 3.36Å; S150-S152 VanDerWaalsContact C-N 3.32Å; S150-S152 PolarHBondContact O-N 3.13Å; S150-K153 PolarHBondContact O-N 3.16Å; S150-A154 VanDerWaalsContact O-CB 3.28Å; S150-A154 WeakPolarHBondContact O-CB 3.22Å; S150-A154 PolarHBondContact O-N 3.28Å
151A98.4Very high96.9Very high53 Ų5341.1 Ų41.144%0.43826%0.258SS..Hα-helixtrans-58.6-42.8177.200000112.2C147 V148 Y149 K153 A154 G155C147-A151 WeakPolarHBondContact O-CB 3.46Å; C147-A151 PolarHBondContact O-N 2.91Å; V148-A151 PolarHBondContact O-N 3.38Å; Y149-A151 PolarHBondContact O-N 3.32Å; A151-K153 VanDerWaalsContact C-N 3.32Å; A151-K153 PolarHBondContact O-N 3.44Å; A151-A154 PolarHBondContact O-N 2.85Å; A151-G155 PolarHBondContact O-N 3.36Å
152S98.3Very high97.1Very high0 Ų038.7 Ų38.70%026%0.257CS..Hα-helixtrans-63-37.1178.280.80000112.8N108 V148 Y149 S150N108-S152 WeakPolarHBondContact CB-OG 3.48Å; N108-S152 PolarHBondContact ND2-OG 2.91Å; N108-S152 VanDerWaalsContact ND2-OG 3.11Å; V148-S152 WeakPolarHBondContact O-CB 3.3Å; V148-S152 PolarHBondContact O-N 3.03Å; Y149-S152 WeakPolarHBondContact O-CB 3.47Å; Y149-S152 PolarHBondContact O-N 2.92Å; Y149-S152 VanDerWaalsContact O-N 3.12Å; Y149-S152 PolarHBondContact O-OG 3.07Å; S150-S152 VanDerWaalsContact C-N 3.32Å; S150-S152 PolarHBondContact O-N 3.13Å
153K98Very high97.4Very high12 Ų1237.4 Ų37.45%0.05224%0.241CC..Hα-helixtrans-83.7-32.5-180-64.1-53.7-167.8174.60112.8I134 Y149 S150 A151 L156I134-K153 PolarHBondContact O-NZ 3.07Å; Y149-K153 HydrophobicContact CD1-CG 4.27Å; Y149-K153 HydrophobicContact CE1-CG 3.82Å; Y149-K153 HydrophobicContact CE2-CG 4.23Å; Y149-K153 PolarHBondContact O-N 3.11Å; Y149-K153 WeakPolarHBondContact OH-CE 3.5Å; S150-K153 PolarHBondContact O-N 3.16Å; A151-K153 VanDerWaalsContact C-N 3.32Å; A151-K153 PolarHBondContact O-N 3.44Å; K153-L156 HydrophobicContact CD-CD1 3.88Å; K153-L156 WeakPolarHBondContact O-CB 3.46Å; K153-L156 PolarHBondContact O-N 3.14Å
154A98.3Very high97.7Very high41 Ų4134 Ų3434%0.33922%0.223SC..Hα-helixtrans-63-42.7170.700000111.3G139 S150 A151 L156 E157G139-A154 VanDerWaalsContact O-CB 3.25Å; G139-A154 WeakPolarHBondContact O-CB 3.34Å; S150-A154 VanDerWaalsContact O-CB 3.28Å; S150-A154 WeakPolarHBondContact O-CB 3.22Å; S150-A154 PolarHBondContact O-N 3.28Å; A151-A154 PolarHBondContact O-N 2.85Å; A154-L156 PolarHBondContact O-N 3.01Å; A154-E157 WeakPolarHBondContact O-CB 3.42Å; A154-E157 PolarHBondContact O-N 3.18Å
155G98.7Very high98Very high27 Ų2738 Ų3828%0.27822%0.224SC..Hα-helixtrans-58.9-33.2176.600000113.3A151 E157 G158 F159A151-G155 PolarHBondContact O-N 3.36Å; G155-E157 VanDerWaalsContact C-N 3.28Å; G155-E157 PolarHBondContact O-N 2.57Å; G155-G158 PolarHBondContact O-N 2.64Å; G155-F159 WeakPolarHBondContact O-CB 3.4Å; G155-F159 PolarHBondContact O-N 3.48Å
156L98.6Very high98.3Very high0 Ų044.1 Ų44.10%025%0.249CC..Hα-helixtrans-65.5-29.8176.4-72174.7000112.8L109 K153 A154 F159 T160 L176L109-L156 HydrophobicContact CD1-CD2 3.79Å; L109-L156 HydrophobicContact CD1-CG 4.03Å; K153-L156 HydrophobicContact CD-CD1 3.88Å; K153-L156 WeakPolarHBondContact O-CB 3.46Å; K153-L156 PolarHBondContact O-N 3.14Å; A154-L156 PolarHBondContact O-N 3.01Å; L156-F159 HydrophobicContact CD2-CD1 4.38Å; L156-T160 WeakPolarHBondContact O-CB 3.37Å; L156-T160 PolarHBondContact O-N 2.86Å; L156-T160 PolarHBondContact O-OG1 3.34Å; L156-L176 HydrophobicContact CB-CD1 3.89Å
157E98.5Very high98.4Very high44 Ų4443.6 Ų43.621%0.20625%0.246CC..Hα-helixtrans-66.2-52.9177.3-179.7176.7-175.300111.1L140 A154 G155 F159 T160 R161 L176 V227L140-E157 WeakPolarHBondContact CD2-OE2 3.48Å; A154-E157 WeakPolarHBondContact O-CB 3.42Å; A154-E157 PolarHBondContact O-N 3.18Å; G155-E157 VanDerWaalsContact C-N 3.28Å; G155-E157 PolarHBondContact O-N 2.57Å; E157-F159 VanDerWaalsContact C-N 3.32Å; E157-F159 PolarHBondContact O-N 2.78Å; E157-T160 PolarHBondContact O-N 3.14Å; E157-R161 WeakPolarHBondContact O-CG 3.25Å; E157-R161 PolarHBondContact O-N 2.98Å; E157-R161 IonicContact OE1-CZ 3.47Å; E157-R161 IonicContact OE1-NE 3.71Å; E157-R161 PolarHBondContact OE1-NE 3.04Å; E157-R161 IonicContact OE1-NH2 3.18Å; E157-R161 PolarHBondContact OE1-NH2 3.39Å; E157-L176 HydrophobicContact CB-CD2 3.91Å; E157-L176 HydrophobicContact CG-CD2 4.42Å; E157-V227 HydrophobicContact CG-CG2 3.8Å
158G98.8Very high98.5Very high39 Ų3942.6 Ų42.640%0.40224%0.243SC..Hα-helixtrans-58.5-45.9176.300000111.6G155 T160 R161 S162G155-G158 PolarHBondContact O-N 2.64Å; G158-T160 PolarHBondContact O-N 3.22Å; G158-R161 PolarHBondContact O-N 3.03Å; G158-S162 WeakPolarHBondContact O-CB 3.39Å; G158-S162 PolarHBondContact O-N 3.34Å; G158-S162 PolarHBondContact O-OG 3.11Å; G158-S162 VanDerWaalsContact O-OG 3.13Å
159F98.9Very high98.4Very high39 Ų3946 Ų4617%0.17127%0.267CS..Hα-helixtrans-58.3-48.3175.9170-111.9000112.5M113 C116 G155 L156 E157 R161 S162 L163M113-F159 HydrophobicContact CB-CE2 4.16Å; M113-F159 HydrophobicContact CB-CZ 4.09Å; M113-F159 HydrophobicContact CE-CD2 4.23Å; M113-F159 HydrophobicContact CE-CE2 4.44Å; M113-F159 HydrophobicContact CG-CD1 4.11Å; M113-F159 HydrophobicContact CG-CD2 3.8Å; M113-F159 HydrophobicContact CG-CE1 4.06Å; M113-F159 HydrophobicContact CG-CE2 3.76Å; M113-F159 HydrophobicContact CG-CG 3.98Å; M113-F159 HydrophobicContact CG-CZ 3.89Å; C116-F159 HydrophobicContact CB-CE1 4.24Å; C116-F159 HydrophobicContact CB-CZ 3.82Å; G155-F159 WeakPolarHBondContact O-CB 3.4Å; G155-F159 PolarHBondContact O-N 3.48Å; L156-F159 HydrophobicContact CD2-CD1 4.38Å; E157-F159 VanDerWaalsContact C-N 3.32Å; E157-F159 PolarHBondContact O-N 2.78Å; F159-R161 PolarHBondContact O-N 2.98Å; F159-S162 PolarHBondContact O-N 3.45Å; F159-L163 HydrophobicContact CE1-CD2 4.35Å; F159-L163 HydrophobicContact CE2-CB 4.4Å; F159-L163 HydrophobicContact CE2-CD2 4.37Å; F159-L163 HydrophobicContact CZ-CD2 3.81Å; F159-L163 WeakPolarHBondContact O-CB 3.22Å; F159-L163 PolarHBondContact O-N 3.01Å
160T98.9Very high98.4Very high1 Ų150.5 Ų50.51%0.00628%0.284CS..Hα-helixtrans-61.3-46-178.9-64.30000111.5N133 L156 E157 G158 A164 V174 N175 L176N133-T160 PolarHBondContact ND2-OG1 2.95Å; L156-T160 WeakPolarHBondContact O-CB 3.37Å; L156-T160 PolarHBondContact O-N 2.86Å; L156-T160 PolarHBondContact O-OG1 3.34Å; E157-T160 PolarHBondContact O-N 3.14Å; G158-T160 PolarHBondContact O-N 3.22Å; T160-A164 VanDerWaalsContact O-CB 3.27Å; T160-A164 WeakPolarHBondContact O-CB 3.11Å; T160-A164 PolarHBondContact O-N 2.94Å; T160-V174 HydrophobicContact CG2-CG1 3.88Å; T160-N175 VanDerWaalsContact CG2-C 3.46Å; T160-L176 HydrophobicContact CG2-CB 4.09Å
161R98.9Very high98.4Very high125 Ų12555.3 Ų55.347%0.47231%0.309SS..Hα-helixtrans-63.8-43.2178.6-70.7175179.9-149.92.8112E157 G158 F159 K165 G225E157-R161 WeakPolarHBondContact O-CG 3.25Å; E157-R161 PolarHBondContact O-N 2.98Å; E157-R161 IonicContact OE1-CZ 3.47Å; E157-R161 IonicContact OE1-NE 3.71Å; E157-R161 PolarHBondContact OE1-NE 3.04Å; E157-R161 IonicContact OE1-NH2 3.18Å; E157-R161 PolarHBondContact OE1-NH2 3.39Å; G158-R161 PolarHBondContact O-N 3.03Å; F159-R161 PolarHBondContact O-N 2.98Å; R161-K165 WeakPolarHBondContact O-CG 3.08Å; R161-K165 PolarHBondContact O-N 2.84Å; R161-G225 WeakPolarHBondContact CG-O 3.49Å
162S98.9Very high98.4Very high77 Ų7752.9 Ų52.954%0.53829%0.288SS..Hα-helixtrans-65.8-47.5178.2-66.90000111.4G158 F159 A164 K165 E166G158-S162 WeakPolarHBondContact O-CB 3.39Å; G158-S162 PolarHBondContact O-N 3.34Å; G158-S162 PolarHBondContact O-OG 3.11Å; G158-S162 VanDerWaalsContact O-OG 3.13Å; F159-S162 PolarHBondContact O-N 3.45Å; S162-A164 VanDerWaalsContact C-N 3.34Å; S162-A164 PolarHBondContact O-N 3.49Å; S162-K165 PolarHBondContact O-N 3.13Å; S162-E166 PolarHBondContact O-N 3.43Å; S162-E166 VanDerWaalsContact O-N 3.12Å
163L98.9Very high98.5Very high9 Ų954.4 Ų54.45%0.04729%0.294CS..Hα-helixtrans-62.9-42.3178.9-17861.2000111.3C116 L120 I131 F159 K165 E166 V167 V174C116-L163 HydrophobicContact CB-CD2 3.94Å; L120-L163 HydrophobicContact CD1-CD1 3.72Å; L120-L163 HydrophobicContact CD1-CD2 4.46Å; I131-L163 HydrophobicContact CD1-CD2 4.34Å; F159-L163 HydrophobicContact CE1-CD2 4.35Å; F159-L163 HydrophobicContact CE2-CB 4.4Å; F159-L163 HydrophobicContact CE2-CD2 4.37Å; F159-L163 HydrophobicContact CZ-CD2 3.81Å; F159-L163 WeakPolarHBondContact O-CB 3.22Å; F159-L163 PolarHBondContact O-N 3.01Å; L163-K165 VanDerWaalsContact C-N 3.27Å; L163-K165 PolarHBondContact O-N 3.01Å; L163-E166 WeakPolarHBondContact O-CB 3.29Å; L163-E166 PolarHBondContact O-N 3.47Å; L163-V167 HydrophobicContact CD1-CG1 3.8Å; L163-V167 HydrophobicContact CD1-CG2 4.45Å; L163-V167 HydrophobicContact CG-CG2 4.4Å; L163-V167 WeakPolarHBondContact O-CG2 3.41Å; L163-V167 PolarHBondContact O-N 2.66Å; L163-V174 HydrophobicContact CD2-CG1 4.1Å; L163-V174 HydrophobicContact CD2-CG2 4.07Å; L163-V174 HydrophobicContact CG-CG1 4.48Å; L163-V174 HydrophobicContact CG-CG2 4.01Å
164A98.8Very high98.5Very high3 Ų353.8 Ų53.83%0.02529%0.291CS..Hα-helixtrans-53.5-43.2175.800000112.5T160 S162 A168 V174 T224T160-A164 VanDerWaalsContact O-CB 3.27Å; T160-A164 WeakPolarHBondContact O-CB 3.11Å; T160-A164 PolarHBondContact O-N 2.94Å; S162-A164 VanDerWaalsContact C-N 3.34Å; S162-A164 PolarHBondContact O-N 3.49Å; A164-A168 VanDerWaalsContact O-CB 3.24Å; A164-A168 WeakPolarHBondContact O-CB 3.39Å; A164-A168 PolarHBondContact O-N 3.27Å; A164-A168 VanDerWaalsContact O-N 3.14Å; A164-V174 HydrophobicContact CB-CB 4.13Å; A164-T224 WeakPolarHBondContact CB-OG1 3.29Å
165K98.8Very high98.5Very high177 Ų17751.9 Ų51.977%0.7728%0.276SS*.Hα-helixtrans-66-40.6176.5-69.6176.2179.7-1780112.1R161 S162 L163R161-K165 WeakPolarHBondContact O-CG 3.08Å; R161-K165 PolarHBondContact O-N 2.84Å; S162-K165 PolarHBondContact O-N 3.13Å; L163-K165 VanDerWaalsContact C-N 3.27Å; L163-K165 PolarHBondContact O-N 3.01Å
166E98.5Very high98.5Very high142 Ų14250.7 Ų50.766%0.66426%0.263SS*.Hα-helixtrans-63.9-42.7-178-171.8-179.513400112.2S162 L163S162-E166 PolarHBondContact O-N 3.43Å; S162-E166 VanDerWaalsContact O-N 3.12Å; L163-E166 WeakPolarHBondContact O-CB 3.29Å; L163-E166 PolarHBondContact O-N 3.47Å
167V98.5Very high98.5Very high5 Ų550.7 Ų50.73%0.0326%0.263CS..Hα-helixtrans-105.1-2.9-170-55.70000115L120 L163 S169 R170 V172 V174L120-V167 HydrophobicContact CD1-CG1 4.29Å; L120-V167 HydrophobicContact CD2-CB 4.33Å; L120-V167 HydrophobicContact CD2-CG1 3.79Å; L120-V167 HydrophobicContact CD2-CG2 4.34Å; L163-V167 HydrophobicContact CD1-CG1 3.8Å; L163-V167 HydrophobicContact CD1-CG2 4.45Å; L163-V167 HydrophobicContact CG-CG2 4.4Å; L163-V167 WeakPolarHBondContact O-CG2 3.41Å; L163-V167 PolarHBondContact O-N 2.66Å; V167-S169 VanDerWaalsContact C-N 3.27Å; V167-S169 PolarHBondContact O-N 3.35Å; V167-R170 PolarHBondContact O-N 2.87Å; V167-V172 HydrophobicContact CB-CB 3.94Å; V167-V172 HydrophobicContact CB-CG1 4.42Å; V167-V172 HydrophobicContact CG2-CB 3.59Å; V167-V172 HydrophobicContact CG2-CG1 3.69Å; V167-V172 PolarHBondContact O-N 2.81Å; V167-V174 HydrophobicContact CG2-CG2 3.91Å
168A98.1Very high98.5Very high45 Ų4548.6 Ų48.637%0.37225%0.253SS..G310 helixtrans-57.1-37.3179.900000113.3A164 R170 N171A164-A168 VanDerWaalsContact O-CB 3.24Å; A164-A168 WeakPolarHBondContact O-CB 3.39Å; A164-A168 PolarHBondContact O-N 3.27Å; A164-A168 VanDerWaalsContact O-N 3.14Å; A168-R170 PolarHBondContact O-N 3.35Å; A168-N171 PolarHBondContact O-N 2.88Å
169S97.1Very high98.5Very high85 Ų8547.1 Ų47.159%0.59424%0.236SC*.G310 helixtrans-65-2.117869.80000114.5V167V167-S169 VanDerWaalsContact C-N 3.27Å; V167-S169 PolarHBondContact O-N 3.35Å
170R97.4Very high98.3Very high122 Ų12246 Ų4646%0.4624%0.235SC..G310 helixtrans-121.520.5178.4-58.5-67.9-178.1-94.3-0.5111.8L124 Q127 G128 V167 A168 V172L124-R170 HydrophobicContact CD2-CB 3.71Å; L124-R170 HydrophobicContact CD2-CG 3.72Å; Q127-R170 CarbonylContact C-O 3.57Å; G128-R170 PolarHBondContact N-O 3.18Å; V167-R170 PolarHBondContact O-N 2.87Å; A168-R170 PolarHBondContact O-N 3.35Å; R170-V172 HydrophobicContact CB-CG2 4.48Å; R170-V172 PolarHBondContact O-N 3.05Å
171N97.8Very high98.1Very high116 Ų11648 Ų4862%0.6224%0.244SC*.THydrogen-bonded Turntrans56.728-178.8-50.4-50.4000114.2Q127 G129 A168Q127-N171 WeakPolarHBondContact O-CB 3.49Å; Q127-N171 PolarHBondContact O-ND2 2.94Å; G129-N171 PolarHBondContact N-O 3.06Å; A168-N171 PolarHBondContact O-N 2.88Å
172V98.6Very high97.9Very high1 Ų142.5 Ų42.51%0.00622%0.224CC..EExtended strand (participates in β ladder)trans-97.8125.7173.1-174.90000108.9L120 M123 G129 V167 R170 V174L120-V172 HydrophobicContact CD2-CG1 4.2Å; M123-V172 HydrophobicContact CB-CG1 4.47Å; M123-V172 HydrophobicContact CB-CG2 3.79Å; M123-V172 HydrophobicContact SD-CG1 3.78Å; G129-V172 WeakPolarHBondContact O-CA 3.48Å; V167-V172 HydrophobicContact CB-CB 3.94Å; V167-V172 HydrophobicContact CB-CG1 4.42Å; V167-V172 HydrophobicContact CG2-CB 3.59Å; V167-V172 HydrophobicContact CG2-CG1 3.69Å; V167-V172 PolarHBondContact O-N 2.81Å; R170-V172 HydrophobicContact CB-CG2 4.48Å; R170-V172 PolarHBondContact O-N 3.05Å; V172-V174 HydrophobicContact CG1-CG2 4.43Å
173R98.8Very high97.6Very high32 Ų3243.5 Ų43.512%0.12122%0.216CC..EExtended strand (participates in β ladder)trans-104.9140.6177.9-62179.8-63.596.31.9110.5G129 A130 I131 L217 L218 S220 P221 I223 T224G129-R173 PolarHBondContact O-N 2.98Å; A130-R173 CarbonylContact C-O 3.54Å; A130-R173 VanDerWaalsContact CA-O 3.29Å; A130-R173 WeakPolarHBondContact CA-O 3.38Å; I131-R173 PolarHBondContact N-O 2.85Å; R173-L217 PolarHBondContact NH1-O 3.06Å; R173-L218 PolarHBondContact NH2-O 3.03Å; R173-S220 PolarHBondContact NE-O 3.05Å; R173-S220 PolarHBondContact NH1-O 3.08Å; R173-P221 WeakPolarHBondContact CD-O 3.4Å; R173-I223 PolarHBondContact NH1-O 2.79Å; R173-T224 WeakPolarHBondContact CA-OG1 3.5Å
174V98.9Very high97.1Very high0 Ų043.8 Ų43.80%022%0.218CC..EExtended strand (participates in β ladder)trans-135.2120.3-179.1-170.50000108.6I131 T160 L163 A164 V167 V172 T224 G225I131-V174 HydrophobicContact CB-CB 4.38Å; I131-V174 HydrophobicContact CB-CG1 4.02Å; I131-V174 HydrophobicContact CB-CG2 4.17Å; I131-V174 HydrophobicContact CD1-CG2 4.08Å; I131-V174 HydrophobicContact CG1-CG2 4.34Å; I131-V174 HydrophobicContact CG2-CG1 4.15Å; I131-V174 WeakPolarHBondContact O-CA 3.15Å; T160-V174 HydrophobicContact CG2-CG1 3.88Å; L163-V174 HydrophobicContact CD2-CG1 4.1Å; L163-V174 HydrophobicContact CD2-CG2 4.07Å; L163-V174 HydrophobicContact CG-CG1 4.48Å; L163-V174 HydrophobicContact CG-CG2 4.01Å; A164-V174 HydrophobicContact CB-CB 4.13Å; V167-V174 HydrophobicContact CG2-CG2 3.91Å; V172-V174 HydrophobicContact CG1-CG2 4.43Å; V174-T224 PolarHBondContact N-OG1 3.45Å; V174-T224 VanDerWaalsContact N-OG1 3.08Å; V174-G225 WeakPolarHBondContact O-CA 3.38Å; V174-G225 PolarHBondContact O-N 2.94Å
175N98.9Very high96.2Very high1 Ų148.5 Ų48.51%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-131.6157.8-178.6-65.3-67.3000111.4I131 V132 N133 T160 L217 I223 T224 G225 Q226I131-N175 PolarHBondContact O-N 3.09Å; V132-N175 WeakPolarHBondContact CA-O 3.11Å; N133-N175 PolarHBondContact N-O 3.38Å; T160-N175 VanDerWaalsContact CG2-C 3.46Å; N175-L217 HydrophobicContact CB-CB 4.45Å; N175-L217 HydrophobicContact CB-CD1 3.99Å; N175-L217 HydrophobicContact CB-CD2 4.18Å; N175-L217 HydrophobicContact CB-CG 4.45Å; N175-I223 PolarHBondContact ND2-O 3.47Å; N175-T224 VanDerWaalsContact OD1-C 3.25Å; N175-T224 WeakPolarHBondContact OD1-CA 3.46Å; N175-T224 PolarHBondContact OD1-N 2.81Å; N175-G225 PolarHBondContact OD1-N 3.35Å; N175-Q226 PolarHBondContact OD1-N 2.65Å
176L98.9Very high95.1Very high2 Ų244.9 Ų44.91%0.0123%0.23CC..EExtended strand (participates in β ladder)trans-108.3131.4174.9-172.876000108.4N133 L156 E157 T160 Q226 V227 L228N133-L176 HydrophobicContact CB-CD1 3.78Å; N133-L176 WeakPolarHBondContact O-CA 3.44Å; N133-L176 WeakPolarHBondContact O-CD1 3.19Å; L156-L176 HydrophobicContact CB-CD1 3.89Å; E157-L176 HydrophobicContact CB-CD2 3.91Å; E157-L176 HydrophobicContact CG-CD2 4.42Å; T160-L176 HydrophobicContact CG2-CB 4.09Å; L176-Q226 PolarHBondContact N-O 3.11Å; L176-V227 HydrophobicContact CB-CG2 4.16Å; L176-V227 HydrophobicContact CD2-CG1 3.97Å; L176-V227 HydrophobicContact CD2-CG2 3.92Å; L176-V227 HydrophobicContact CG-CG1 4.48Å; L176-V227 CarbonylContact O-C 3.6Å; L176-V227 WeakPolarHBondContact O-CA 3.48Å; L176-L228 PolarHBondContact O-N 3.22Å
177L98.8Very high94Very high0 Ų039 Ų390%020%0.204CC..EExtended strand (participates in β ladder)trans-103.8127.6165.9-171.176.7000108.1V132 N133 I134 G135 P179 V210 A213 V214 L217 L228 V230V132-L177 HydrophobicContact CG1-CB 4.03Å; N133-L177 PolarHBondContact O-N 3.15Å; I134-L177 HydrophobicContact CD1-CB 4.12Å; I134-L177 HydrophobicContact CD1-CD2 4.04Å; G135-L177 WeakPolarHBondContact CA-O 3.36Å; G135-L177 PolarHBondContact N-O 2.95Å; L177-P179 WeakPolarHBondContact O-CD 3.45Å; L177-V210 HydrophobicContact CD2-CG1 3.33Å; L177-V210 HydrophobicContact CG-CG1 4.49Å; L177-A213 HydrophobicContact CD1-CB 3.63Å; L177-A213 HydrophobicContact CD2-CB 4.22Å; L177-V214 HydrophobicContact CD2-CG2 3.46Å; L177-V214 VanDerWaalsContact CD2-CG2 3.46Å; L177-L217 HydrophobicContact CB-CD1 4.24Å; L177-L217 HydrophobicContact CD1-CD1 4.08Å; L177-L228 CarbonylContact C-O 3.55Å; L177-L228 WeakPolarHBondContact CA-O 3.4Å; L177-L228 HydrophobicContact CD1-CB 3.9Å; L177-L228 HydrophobicContact CD1-CD2 3.78Å; L177-L228 HydrophobicContact CD1-CG 3.82Å; L177-V230 HydrophobicContact CD1-CG2 3.79Å
178A98.4Very high92.5Very high0 Ų044.6 Ų44.60%024%0.238CC..EExtended strand (participates in β ladder)trans-113.794.9-179.500000110.4L140 V227 L228 V229 V230L140-A178 HydrophobicContact CD1-CB 4Å; A178-V227 HydrophobicContact CB-CG1 3.98Å; A178-L228 PolarHBondContact N-O 3.22Å; A178-V229 HydrophobicContact CB-CG2 4.22Å; A178-V229 WeakPolarHBondContact O-CA 3.5Å; A178-V230 PolarHBondContact O-N 3.49Å
179P97.9Very high90.9Very high7 Ų746.2 Ų46.25%0.04526%0.259CS..EExtended strand (participates in β ladder)trans-73.7152.4176.4-16.231.5000112.6I14 I134 V137 L177 I182 V210 V230I14-P179 HydrophobicContact CD1-CG 4.13Å; I134-P179 HydrophobicContact CG2-CG 4.05Å; V137-P179 PolarHBondContact N-O 3.26Å; L177-P179 WeakPolarHBondContact O-CD 3.45Å; P179-I182 HydrophobicContact CB-CD1 4.16Å; P179-I182 HydrophobicContact CB-CG1 3.73Å; P179-V210 HydrophobicContact CB-CG1 4.49Å; P179-V210 HydrophobicContact CB-CG2 4.31Å; P179-V210 HydrophobicContact CG-CG1 3.88Å; P179-V230 CarbonylContact C-O 3.5Å; P179-V230 VanDerWaalsContact CA-O 3.31Å; P179-V230 WeakPolarHBondContact CA-O 3.48Å
180G95.4Very high89.5Confident15 Ų1545.3 Ų45.316%0.15525%0.247CC..  trans-80.6-143.2162.600000112.4I182 V230G180-I182 PolarHBondContact O-N 3.3Å; G180-V230 PolarHBondContact N-O 3.43Å
181F93.8Very high88.1Confident44 Ų4450.4 Ų50.419%0.19327%0.266CS..SBendtrans-75.7119.9171.9-67.5-72.7000110.8L190 V195 I199 F204 G205 L234F181-L190 HydrophobicContact CD1-CD1 3.88Å; F181-L190 HydrophobicContact CE1-CD1 3.85Å; F181-V195 HydrophobicContact CD2-CG1 3.5Å; F181-V195 HydrophobicContact CE1-CG1 4.44Å; F181-V195 HydrophobicContact CE2-CG1 3.19Å; F181-V195 HydrophobicContact CG-CG1 4.28Å; F181-V195 HydrophobicContact CZ-CG1 3.72Å; F181-I199 HydrophobicContact CD2-CD1 4.22Å; F181-F204 HydrophobicContact CB-CB 4.47Å; F181-F204 HydrophobicContact CB-CD1 3.47Å; F181-F204 VanDerWaalsContact CB-CD1 3.47Å; F181-F204 HydrophobicContact CB-CD2 3.98Å; F181-F204 HydrophobicContact CB-CE1 3.52Å; F181-F204 HydrophobicContact CB-CE2 4.01Å; F181-F204 HydrophobicContact CB-CG 3.72Å; F181-F204 HydrophobicContact CB-CZ 3.8Å; F181-F204 HydrophobicContact CD1-CZ 4.18Å; F181-F204 HydrophobicContact CD2-CE1 4.11Å; F181-F204 HydrophobicContact CG-CD1 4.26Å; F181-F204 AromaticContact CG-CE1 3.81Å; F181-F204 HydrophobicContact CG-CE1 3.81Å; F181-F204 HydrophobicContact CG-CE2 4.46Å; F181-F204 AromaticContact CG-CZ 3.92Å; F181-F204 HydrophobicContact CG-CZ 3.92Å; F181-G205 PolarHBondContact O-N 2.99Å; F181-L234 HydrophobicContact CD2-CD2 3.57Å; F181-L234 HydrophobicContact CE2-CD2 3.6Å
182I95.1Very high86.7Confident9 Ų948.1 Ų48.15%0.04625%0.252CS..BIsolated β-bridgetrans-123.7131.3-177.8-51.6-61.3000109.5I14 P179 G180 T184 T187 G205 P207 V210I14-I182 HydrophobicContact CD1-CG1 4.4Å; I14-I182 HydrophobicContact CD1-CG2 4.5Å; I14-I182 HydrophobicContact CG1-CG2 4.25Å; P179-I182 HydrophobicContact CB-CD1 4.16Å; P179-I182 HydrophobicContact CB-CG1 3.73Å; G180-I182 PolarHBondContact O-N 3.3Å; I182-T184 HydrophobicContact CB-CG2 4.5Å; I182-T184 HydrophobicContact CG2-CG2 4.02Å; I182-T184 PolarHBondContact O-N 2.85Å; I182-T184 PolarHBondContact O-OG1 3.45Å; I182-T187 WeakPolarHBondContact O-CG2 3.47Å; I182-T187 PolarHBondContact O-OG1 3.01Å; I182-T187 VanDerWaalsContact O-OG1 3.09Å; I182-G205 CarbonylContact C-O 3.12Å; I182-G205 VanDerWaalsContact CA-O 3.27Å; I182-G205 WeakPolarHBondContact CA-O 3.46Å; I182-P207 HydrophobicContact CG2-CG 4.06Å; I182-V210 HydrophobicContact CD1-CG2 3.39Å; I182-V210 HydrophobicContact CG1-CG2 3.73Å; I182-V210 HydrophobicContact CG2-CG2 4.15Å
183R92.3Very high85.3Confident98 Ų9850.6 Ų50.637%0.3728%0.278SS..SBendtrans-64.897.7179.5-67.3-167.5177.8138.1-6.3111.3E192 F204 G205 E206 P207R183-E192 IonicContact CZ-OE2 3.53Å; R183-E192 IonicContact NE-OE1 3.53Å; R183-E192 PolarHBondContact NE-OE1 2.99Å; R183-E192 IonicContact NE-OE2 2.69Å; R183-E192 IonicContact NH2-OE2 3.6Å; R183-E192 PolarHBondContact NH2-OE2 3.38Å; R183-F204 HydrophobicContact CG-CB 3.82Å; R183-F204 HydrophobicContact CG-CD2 4.28Å; R183-G205 PolarHBondContact N-O 3.41Å; R183-E206 WeakPolarHBondContact CD-OE1 3.41Å; R183-E206 IonicContact CZ-OE1 3.22Å; R183-E206 IonicContact NE-OE1 3.51Å; R183-E206 IonicContact NH1-OE1 2.65Å; R183-E206 PolarHBondContact NH1-OE1 3.37Å; R183-P207 WeakPolarHBondContact O-CD 3.16Å; R183-P207 VanDerWaalsContact O-CG 3.27Å; R183-P207 WeakPolarHBondContact O-CG 3.4Å
184T88.1Confident84Confident16 Ų1656.7 Ų56.710%0.09831%0.308CS..SBendtrans-144.9173178.4610000109.3I182 M186 T187 V188 P207I182-T184 HydrophobicContact CB-CG2 4.5Å; I182-T184 HydrophobicContact CG2-CG2 4.02Å; I182-T184 PolarHBondContact O-N 2.85Å; I182-T184 PolarHBondContact O-OG1 3.45Å; T184-M186 PolarHBondContact O-N 2.85Å; T184-M186 PolarHBondContact OG1-N 3.05Å; T184-T187 PolarHBondContact N-OG1 3.46Å; T184-T187 VanDerWaalsContact N-OG1 3.13Å; T184-T187 PolarHBondContact O-N 3.03Å; T184-T187 PolarHBondContact O-OG1 2.99Å; T184-V188 WeakPolarHBondContact O-CG2 3.35Å; T184-V188 PolarHBondContact O-N 2.95Å; T184-P207 HydrophobicContact CG2-CG 3.9Å
185D80.6Confident83.1Confident102 Ų10258.6 Ų58.655%0.54532%0.319SS..G310 helixtrans-47.4-31.1171.4-59-1.7000113.5R12 T187R12-D185 WeakPolarHBondContact CD-OD2 3.29Å; R12-D185 IonicContact NH1-OD2 3.36Å; R12-D185 PolarHBondContact NH1-OD2 2.89Å; D185-T187 VanDerWaalsContact C-N 3.27Å; D185-T187 PolarHBondContact O-N 3.46Å
186M76.3Confident82.5Confident100 Ų10059.8 Ų59.849%0.49333%0.326SS..G310 helixtrans-70.5-19179.7-66.5-173.3-67.300113.7T184T184-M186 PolarHBondContact O-N 2.85Å; T184-M186 PolarHBondContact OG1-N 3.05Å
187T73.9Confident81.9Confident18 Ų1870 Ų7011%0.1137%0.365CS..G310 helixtrans-110.1-1.6-177.160.30000113.7I182 T184 D185 G189 L190I182-T187 WeakPolarHBondContact O-CG2 3.47Å; I182-T187 PolarHBondContact O-OG1 3.01Å; I182-T187 VanDerWaalsContact O-OG1 3.09Å; T184-T187 PolarHBondContact N-OG1 3.46Å; T184-T187 VanDerWaalsContact N-OG1 3.13Å; T184-T187 PolarHBondContact O-N 3.03Å; T184-T187 PolarHBondContact O-OG1 2.99Å; D185-T187 VanDerWaalsContact C-N 3.27Å; D185-T187 PolarHBondContact O-N 3.46Å; T187-G189 PolarHBondContact O-N 3.31Å; T187-L190 HydrophobicContact CG2-CD1 4.08Å; T187-L190 PolarHBondContact O-N 3.44Å
188V67.9Low81.4Confident123 Ų12373.5 Ų73.575%0.74539%0.386SS*.THydrogen-bonded Turntrans-59.4-16.4-174.1171.90000113.9T184T184-V188 WeakPolarHBondContact O-CG2 3.35Å; T184-V188 PolarHBondContact O-N 2.95Å
189G63.4Low81.1Confident79 Ų7973.9 Ų73.981%0.81439%0.388SS*.THydrogen-bonded Turntrans-102.2-1.7176.600000116T187T187-G189 PolarHBondContact O-N 3.31Å
190L68.7Low81Confident67 Ų6777.8 Ų77.835%0.35141%0.413SS..SBendtrans-82.6131.2-177.8-67.5172.8000110.5F181 T187 E192F181-L190 HydrophobicContact CD1-CD1 3.88Å; F181-L190 HydrophobicContact CE1-CD1 3.85Å; T187-L190 HydrophobicContact CG2-CD1 4.08Å; T187-L190 PolarHBondContact O-N 3.44Å; L190-E192 PolarHBondContact O-N 3.04Å
191R66.9Low81.1Confident229 Ų22982.5 Ų82.586%0.86443%0.434SS*.  trans-70.493.9169.6-67.9-177-180-178-0.3108.4G193R191-G193 PolarHBondContact O-N 3.49Å
192E69.1Low81Confident68 Ų6882.5 Ų82.532%0.31845%0.447SS..Hα-helixtrans-51.7-34.5-176.6-64.5-163170.900112.3R183 L190 E194 V195 V196 F204R183-E192 IonicContact CZ-OE2 3.53Å; R183-E192 IonicContact NE-OE1 3.53Å; R183-E192 PolarHBondContact NE-OE1 2.99Å; R183-E192 IonicContact NE-OE2 2.69Å; R183-E192 IonicContact NH2-OE2 3.6Å; R183-E192 PolarHBondContact NH2-OE2 3.38Å; L190-E192 PolarHBondContact O-N 3.04Å; E192-E194 PolarHBondContact O-N 3.39Å; E192-V195 PolarHBondContact O-N 2.94Å; E192-V196 HydrophobicContact CB-CG2 4Å; E192-V196 WeakPolarHBondContact O-CB 3.38Å; E192-V196 WeakPolarHBondContact O-CG2 3.46Å; E192-V196 PolarHBondContact O-N 3.27Å; E192-F204 HydrophobicContact CB-CZ 4.46Å; E192-F204 HydrophobicContact CG-CD2 4.12Å; E192-F204 HydrophobicContact CG-CE2 3.77Å; E192-F204 HydrophobicContact CG-CZ 4.11Å
193G68.7Low81Confident53 Ų5386.5 Ų86.555%0.54646%0.462SS..Hα-helixtrans-57.4-34.8-16700000117.5R191R191-G193 PolarHBondContact O-N 3.49Å
194E72.5Confident81.1Confident160 Ų16081.9 Ų81.975%0.74844%0.444SS*.Hα-helixtrans-89.3-42179.3-73-179179.700112E192 V196 R197E192-E194 PolarHBondContact O-N 3.39Å; E194-V196 VanDerWaalsContact C-N 3.34Å; E194-V196 PolarHBondContact O-N 3.2Å; E194-R197 PolarHBondContact O-N 3.46Å
195V80.5Confident81.4Confident40 Ų4081.7 Ų81.724%0.24245%0.446CS..Hα-helixtrans-68.3-35.9-178.8-179.10000111.3F181 E192 R197 T198 F204F181-V195 HydrophobicContact CD2-CG1 3.5Å; F181-V195 HydrophobicContact CE1-CG1 4.44Å; F181-V195 HydrophobicContact CE2-CG1 3.19Å; F181-V195 HydrophobicContact CG-CG1 4.28Å; F181-V195 HydrophobicContact CZ-CG1 3.72Å; E192-V195 PolarHBondContact O-N 2.94Å; V195-R197 PolarHBondContact O-N 2.98Å; V195-T198 PolarHBondContact O-N 3.25Å; V195-T198 VanDerWaalsContact O-N 3.11Å; V195-T198 PolarHBondContact O-OG1 3.02Å; V195-F204 HydrophobicContact CB-CE1 4.31Å; V195-F204 HydrophobicContact CB-CZ 4.46Å; V195-F204 HydrophobicContact CG1-CE1 3.99Å; V195-F204 HydrophobicContact CG1-CZ 4.32Å
196V86.3Confident82.2Confident26 Ų2679.9 Ų79.916%0.15843%0.434CS..G310 helixtrans-61.4-30.3178.8165.70000112.2E192 E194 T198 I199 G202 F204E192-V196 HydrophobicContact CB-CG2 4Å; E192-V196 WeakPolarHBondContact O-CB 3.38Å; E192-V196 WeakPolarHBondContact O-CG2 3.46Å; E192-V196 PolarHBondContact O-N 3.27Å; E194-V196 VanDerWaalsContact C-N 3.34Å; E194-V196 PolarHBondContact O-N 3.2Å; V196-T198 PolarHBondContact O-N 2.89Å; V196-I199 PolarHBondContact O-N 3.42Å; V196-I199 VanDerWaalsContact O-N 3.11Å; V196-G202 WeakPolarHBondContact CG1-O 3.46Å; V196-F204 HydrophobicContact CG2-CD1 3.78Å; V196-F204 HydrophobicContact CG2-CE1 3.75Å
197R86.1Confident83.3Confident217 Ų21775.7 Ų75.782%0.81941%0.414SS*.G310 helixtrans-68.1-22.6178.7-65.2179.6-179.3-174.1-1113.2E194 V195 I199E194-R197 PolarHBondContact O-N 3.46Å; V195-R197 PolarHBondContact O-N 2.98Å; R197-I199 VanDerWaalsContact C-N 3.34Å
198T87.4Confident84.4Confident73 Ų7378.2 Ų78.245%0.44843%0.425SS..G310 helixtrans-87.3-8.7176.270.40000112.2V195 V196 P200 A237V195-T198 PolarHBondContact O-N 3.25Å; V195-T198 VanDerWaalsContact O-N 3.11Å; V195-T198 PolarHBondContact O-OG1 3.02Å; V196-T198 PolarHBondContact O-N 2.89Å; T198-P200 WeakPolarHBondContact O-CD 3.15Å; T198-A237 VanDerWaalsContact O-CB 3.29Å; T198-A237 WeakPolarHBondContact O-CB 3.35Å
199I93.4Very high85.9Confident8 Ų875.5 Ų75.54%0.04140%0.404CS..SBendtrans-91.3119.2176.9-56.1171.5000108.4F181 V196 R197 L201 G202 R203 F204 G232 L234F181-I199 HydrophobicContact CD2-CD1 4.22Å; V196-I199 PolarHBondContact O-N 3.42Å; V196-I199 VanDerWaalsContact O-N 3.11Å; R197-I199 VanDerWaalsContact C-N 3.34Å; I199-L201 VanDerWaalsContact C-N 3.27Å; I199-L201 HydrophobicContact CG2-CB 4.48Å; I199-L201 PolarHBondContact O-N 2.78Å; I199-G202 WeakPolarHBondContact O-CA 3.3Å; I199-G202 PolarHBondContact O-N 3.49Å; I199-R203 WeakPolarHBondContact CD1-O 3.44Å; I199-F204 HydrophobicContact CD1-CD1 3.66Å; I199-F204 HydrophobicContact CD1-CE1 3.91Å; I199-G232 WeakPolarHBondContact CG2-O 3.22Å; I199-L234 HydrophobicContact CG1-CB 4.28Å; I199-L234 HydrophobicContact CG1-CD1 3.99Å
200P95.3Very high87.6Confident88 Ų8871.8 Ų71.857%0.57137%0.365SS*.THydrogen-bonded Turntrans-53.9-37.5178.1-3136.7000114.9T198 G202 G232 G233T198-P200 WeakPolarHBondContact O-CD 3.15Å; P200-G202 PolarHBondContact O-N 3.49Å; P200-G232 VanDerWaalsContact CD-O 3.3Å; P200-G232 WeakPolarHBondContact CD-O 3.27Å; P200-G233 WeakPolarHBondContact CD-O 3.09Å; P200-G233 WeakPolarHBondContact CG-O 3.46Å
201L96.2Very high89Confident114 Ų11468.6 Ų68.660%0.59735%0.349SS*.THydrogen-bonded Turntrans-76.6-0.5174.5-65.2-169.7000114.5I199 R203 G232I199-L201 VanDerWaalsContact C-N 3.27Å; I199-L201 HydrophobicContact CG2-CB 4.48Å; I199-L201 PolarHBondContact O-N 2.78Å; L201-R203 VanDerWaalsContact C-N 3.26Å; L201-R203 PolarHBondContact O-N 2.79Å; L201-G232 PolarHBondContact N-O 3.13Å; L201-G232 VanDerWaalsContact N-O 3.14Å
202G93.3Very high90.5Very high45 Ų4564.3 Ų64.346%0.46434%0.337SS..SBendtrans63.925.4170.900000114.8V196 I199 P200V196-G202 WeakPolarHBondContact CG1-O 3.46Å; I199-G202 WeakPolarHBondContact O-CA 3.3Å; I199-G202 PolarHBondContact O-N 3.49Å; P200-G202 PolarHBondContact O-N 3.49Å
203R93.7Very high91.9Very high93 Ų9361.8 Ų61.835%0.35133%0.327SS..SBendtrans-161164.7176.362.7176.5-178.985.3-2.8112.6I199 L201 E209I199-R203 WeakPolarHBondContact CD1-O 3.44Å; L201-R203 VanDerWaalsContact C-N 3.26Å; L201-R203 PolarHBondContact O-N 2.79Å; R203-E209 IonicContact CZ-OE1 3.87Å; R203-E209 IonicContact CZ-OE2 2.72Å; R203-E209 IonicContact NH1-OE1 3.95Å; R203-E209 PolarHBondContact NH1-OE1 3.28Å; R203-E209 IonicContact NH1-OE2 3.34Å; R203-E209 PolarHBondContact NH1-OE2 2.75Å; R203-E209 IonicContact NH2-OE1 2.91Å; R203-E209 PolarHBondContact NH2-OE1 3.18Å; R203-E209 IonicContact NH2-OE2 2.97Å
204F94.3Very high93.4Very high0 Ų059.2 Ų59.20%030%0.301CS..PPolyproline II helixtrans-72.5153.1162.2-70.85.2000110.6F181 R183 E192 V195 V196 I199F181-F204 HydrophobicContact CB-CB 4.47Å; F181-F204 HydrophobicContact CB-CD1 3.47Å; F181-F204 VanDerWaalsContact CB-CD1 3.47Å; F181-F204 HydrophobicContact CB-CD2 3.98Å; F181-F204 HydrophobicContact CB-CE1 3.52Å; F181-F204 HydrophobicContact CB-CE2 4.01Å; F181-F204 HydrophobicContact CB-CG 3.72Å; F181-F204 HydrophobicContact CB-CZ 3.8Å; F181-F204 HydrophobicContact CD1-CZ 4.18Å; F181-F204 HydrophobicContact CD2-CE1 4.11Å; F181-F204 HydrophobicContact CG-CD1 4.26Å; F181-F204 AromaticContact CG-CE1 3.81Å; F181-F204 HydrophobicContact CG-CE1 3.81Å; F181-F204 HydrophobicContact CG-CE2 4.46Å; F181-F204 AromaticContact CG-CZ 3.92Å; F181-F204 HydrophobicContact CG-CZ 3.92Å; R183-F204 HydrophobicContact CG-CB 3.82Å; R183-F204 HydrophobicContact CG-CD2 4.28Å; E192-F204 HydrophobicContact CB-CZ 4.46Å; E192-F204 HydrophobicContact CG-CD2 4.12Å; E192-F204 HydrophobicContact CG-CE2 3.77Å; E192-F204 HydrophobicContact CG-CZ 4.11Å; V195-F204 HydrophobicContact CB-CE1 4.31Å; V195-F204 HydrophobicContact CB-CZ 4.46Å; V195-F204 HydrophobicContact CG1-CE1 3.99Å; V195-F204 HydrophobicContact CG1-CZ 4.32Å; V196-F204 HydrophobicContact CG2-CD1 3.78Å; V196-F204 HydrophobicContact CG2-CE1 3.75Å; I199-F204 HydrophobicContact CD1-CD1 3.66Å; I199-F204 HydrophobicContact CD1-CE1 3.91Å
205G96.1Very high94.6Very high13 Ų1351.7 Ų51.713%0.13427%0.266CS..BIsolated β-bridgetrans-76.8158.2171.300000111.7F181 I182 R183 E209F181-G205 PolarHBondContact O-N 2.99Å; I182-G205 CarbonylContact C-O 3.12Å; I182-G205 VanDerWaalsContact CA-O 3.27Å; I182-G205 WeakPolarHBondContact CA-O 3.46Å; R183-G205 PolarHBondContact N-O 3.41Å; G205-E209 WeakPolarHBondContact CA-OE2 3.25Å
206E97.1Very high95.5Very high63 Ų6354.8 Ų54.829%0.29428%0.276SS..PPolyproline II helixtrans-96.6149.5171.2-59.7-59.8158.500110.8R183 E208 E209 V210R183-E206 WeakPolarHBondContact CD-OE1 3.41Å; R183-E206 IonicContact CZ-OE1 3.22Å; R183-E206 IonicContact NE-OE1 3.51Å; R183-E206 IonicContact NH1-OE1 2.65Å; R183-E206 PolarHBondContact NH1-OE1 3.37Å; E206-E208 PolarHBondContact O-N 3.12Å; E206-E208 VanDerWaalsContact O-N 3.13Å; E206-E209 HydrophobicContact CB-CG 4.28Å; E206-E209 PolarHBondContact N-OE2 3.45Å; E206-E209 WeakPolarHBondContact O-CB 3.45Å; E206-E209 PolarHBondContact O-N 2.69Å; E206-V210 PolarHBondContact O-N 3.09Å
207P97.9Very high96.1Very high13 Ų1353.7 Ų53.78%0.08427%0.269CS..Hα-helixtrans-51.5-35.6176.9-29.437.8000113.9A17 I182 R183 T184 E209 V210 A211A17-P207 HydrophobicContact CB-CB 3.73Å; I182-P207 HydrophobicContact CG2-CG 4.06Å; R183-P207 WeakPolarHBondContact O-CD 3.16Å; R183-P207 VanDerWaalsContact O-CG 3.27Å; R183-P207 WeakPolarHBondContact O-CG 3.4Å; T184-P207 HydrophobicContact CG2-CG 3.9Å; P207-E209 VanDerWaalsContact C-N 3.32Å; P207-E209 PolarHBondContact O-N 3.34Å; P207-V210 PolarHBondContact O-N 3.11Å; P207-A211 WeakPolarHBondContact O-CB 3.28Å; P207-A211 PolarHBondContact O-N 2.9Å
208E98.1Very high96.7Very high71 Ų7143.4 Ų43.433%0.33223%0.231SC..Hα-helixtrans-61.8-35.4176.9-76.168.4-156.900113.4R20 E206 A211 K212R20-E208 IonicContact NH2-OE1 2.74Å; R20-E208 PolarHBondContact NH2-OE1 2.97Å; E206-E208 PolarHBondContact O-N 3.12Å; E206-E208 VanDerWaalsContact O-N 3.13Å; E208-A211 PolarHBondContact O-N 3.43Å; E208-K212 WeakPolarHBondContact O-CG 3.5Å; E208-K212 PolarHBondContact O-N 3Å; E208-K212 VanDerWaalsContact O-N 3.08Å
209E98.5Very high97.1Very high66 Ų6644 Ų4431%0.30823%0.228SC..Hα-helixtrans-69.6-39.7179.3-60.5-178.4107.100110.5R203 G205 E206 P207 A213R203-E209 IonicContact CZ-OE1 3.87Å; R203-E209 IonicContact CZ-OE2 2.72Å; R203-E209 IonicContact NH1-OE1 3.95Å; R203-E209 PolarHBondContact NH1-OE1 3.28Å; R203-E209 IonicContact NH1-OE2 3.34Å; R203-E209 PolarHBondContact NH1-OE2 2.75Å; R203-E209 IonicContact NH2-OE1 2.91Å; R203-E209 PolarHBondContact NH2-OE1 3.18Å; R203-E209 IonicContact NH2-OE2 2.97Å; G205-E209 WeakPolarHBondContact CA-OE2 3.25Å; E206-E209 HydrophobicContact CB-CG 4.28Å; E206-E209 PolarHBondContact N-OE2 3.45Å; E206-E209 WeakPolarHBondContact O-CB 3.45Å; E206-E209 PolarHBondContact O-N 2.69Å; P207-E209 VanDerWaalsContact C-N 3.32Å; P207-E209 PolarHBondContact O-N 3.34Å; E209-A213 PolarHBondContact O-N 2.84Å
210V98.6Very high97.4Very high0 Ų044.6 Ų44.60%023%0.233CC..Hα-helixtrans-65.8-43.8172.9-173.90000110.5I14 L177 P179 I182 E206 P207 K212 A213 V214I14-V210 HydrophobicContact CD1-CG1 4.09Å; I14-V210 HydrophobicContact CD1-CG2 4.46Å; I14-V210 HydrophobicContact CG1-CB 4.26Å; I14-V210 HydrophobicContact CG1-CG1 4.14Å; I14-V210 HydrophobicContact CG1-CG2 4.39Å; I14-V210 HydrophobicContact CG2-CB 4.21Å; I14-V210 HydrophobicContact CG2-CG1 3.64Å; L177-V210 HydrophobicContact CD2-CG1 3.33Å; L177-V210 HydrophobicContact CG-CG1 4.49Å; P179-V210 HydrophobicContact CB-CG1 4.49Å; P179-V210 HydrophobicContact CB-CG2 4.31Å; P179-V210 HydrophobicContact CG-CG1 3.88Å; I182-V210 HydrophobicContact CD1-CG2 3.39Å; I182-V210 HydrophobicContact CG1-CG2 3.73Å; I182-V210 HydrophobicContact CG2-CG2 4.15Å; E206-V210 PolarHBondContact O-N 3.09Å; P207-V210 PolarHBondContact O-N 3.11Å; V210-K212 VanDerWaalsContact C-N 3.33Å; V210-K212 PolarHBondContact O-N 2.94Å; V210-A213 WeakPolarHBondContact O-CB 3.36Å; V210-A213 PolarHBondContact O-N 3.21Å; V210-A213 VanDerWaalsContact O-N 3.09Å; V210-V214 PolarHBondContact O-N 3.39Å
211A98.8Very high97.5Very high1 Ų145.7 Ų45.71%0.00824%0.241CC..Hα-helixtrans-58.8-42.4179.700000112.2A17 V18 L21 P207 E208 A213 V214 I215A17-A211 HydrophobicContact CB-CB 3.9Å; V18-A211 HydrophobicContact CB-CB 4.5Å; V18-A211 HydrophobicContact CG2-CB 3.8Å; L21-A211 HydrophobicContact CD2-CB 4.25Å; P207-A211 WeakPolarHBondContact O-CB 3.28Å; P207-A211 PolarHBondContact O-N 2.9Å; E208-A211 PolarHBondContact O-N 3.43Å; A211-A213 VanDerWaalsContact C-N 3.29Å; A211-A213 PolarHBondContact O-N 2.96Å; A211-V214 WeakPolarHBondContact O-CB 3.35Å; A211-V214 PolarHBondContact O-N 3.49Å; A211-V214 VanDerWaalsContact O-N 3.12Å; A211-I215 WeakPolarHBondContact O-CG1 3.14Å; A211-I215 PolarHBondContact O-N 3.06Å
212K98.8Very high97.6Very high139 Ų13951.2 Ų51.260%0.60426%0.255SS*.Hα-helixtrans-57.8-40.9174.9-71.6169.9-175.8177.10112.4L21 E208 V210 I215 F216L21-K212 HydrophobicContact CD2-CB 4.48Å; L21-K212 HydrophobicContact CD2-CG 3.91Å; E208-K212 WeakPolarHBondContact O-CG 3.5Å; E208-K212 PolarHBondContact O-N 3Å; E208-K212 VanDerWaalsContact O-N 3.08Å; V210-K212 VanDerWaalsContact C-N 3.33Å; V210-K212 PolarHBondContact O-N 2.94Å; K212-I215 PolarHBondContact O-N 3.29Å; K212-F216 PolarHBondContact O-N 3.31Å
213A98.8Very high97.9Very high14 Ų1451.1 Ų51.112%0.11624%0.243CC..Hα-helixtrans-68.8-35.7176.600000112.6L177 E209 V210 A211 F216 L217 L228 V230L177-A213 HydrophobicContact CD1-CB 3.63Å; L177-A213 HydrophobicContact CD2-CB 4.22Å; E209-A213 PolarHBondContact O-N 2.84Å; V210-A213 WeakPolarHBondContact O-CB 3.36Å; V210-A213 PolarHBondContact O-N 3.21Å; V210-A213 VanDerWaalsContact O-N 3.09Å; A211-A213 VanDerWaalsContact C-N 3.29Å; A211-A213 PolarHBondContact O-N 2.96Å; A213-F216 PolarHBondContact O-N 2.83Å; A213-L217 WeakPolarHBondContact O-CG 3.46Å; A213-L217 PolarHBondContact O-N 2.97Å; A213-L217 VanDerWaalsContact O-N 3.08Å; A213-L228 HydrophobicContact CB-CD2 4.02Å; A213-V230 HydrophobicContact CB-CG2 3.7Å
214V98.9Very high98.1Very high0 Ų049 Ų490%024%0.241CC..Hα-helixtrans-59.1-49.8170.9175.10000110.5V18 V82 V132 I134 L177 V210 A211 F216 L217 L218V18-V214 HydrophobicContact CG1-CG1 4.02Å; V18-V214 HydrophobicContact CG2-CB 3.97Å; V18-V214 HydrophobicContact CG2-CG1 4.11Å; V18-V214 HydrophobicContact CG2-CG2 3.81Å; V82-V214 HydrophobicContact CG1-CG1 4.06Å; V82-V214 HydrophobicContact CG2-CG1 3.74Å; V132-V214 HydrophobicContact CB-CG1 4.13Å; V132-V214 HydrophobicContact CG1-CG1 4.12Å; V132-V214 HydrophobicContact CG1-CG2 4.19Å; V132-V214 HydrophobicContact CG2-CG1 4.32Å; I134-V214 HydrophobicContact CD1-CG2 3.71Å; L177-V214 HydrophobicContact CD2-CG2 3.46Å; L177-V214 VanDerWaalsContact CD2-CG2 3.46Å; V210-V214 PolarHBondContact O-N 3.39Å; A211-V214 WeakPolarHBondContact O-CB 3.35Å; A211-V214 PolarHBondContact O-N 3.49Å; A211-V214 VanDerWaalsContact O-N 3.12Å; V214-F216 VanDerWaalsContact C-N 3.34Å; V214-F216 PolarHBondContact O-N 2.89Å; V214-L217 PolarHBondContact O-N 2.98Å; V214-L218 HydrophobicContact CG1-CD1 3.92Å; V214-L218 HydrophobicContact CG1-CG 4.25Å; V214-L218 WeakPolarHBondContact O-CG 3.45Å; V214-L218 PolarHBondContact O-N 2.98Å
215I98.6Very high98.3Very high2 Ų249.6 Ų49.61%0.0125%0.247CC..Hα-helixtrans-59.6-45.1179.4-61.4-55.2000111.2L21 L22 R25 A211 K212 L217 L218 E219L21-I215 HydrophobicContact CB-CG1 4.32Å; L21-I215 HydrophobicContact CD2-CB 4.39Å; L21-I215 HydrophobicContact CD2-CG1 3.5Å; L21-I215 VanDerWaalsContact CD2-CG1 3.5Å; L21-I215 HydrophobicContact CG-CD1 4.43Å; L21-I215 HydrophobicContact CG-CG1 3.78Å; L22-I215 HydrophobicContact CD2-CD1 3.39Å; L22-I215 HydrophobicContact CG-CD1 3.66Å; R25-I215 VanDerWaalsContact NH1-CG2 3.33Å; A211-I215 WeakPolarHBondContact O-CG1 3.14Å; A211-I215 PolarHBondContact O-N 3.06Å; K212-I215 PolarHBondContact O-N 3.29Å; I215-L217 VanDerWaalsContact C-N 3.32Å; I215-L217 PolarHBondContact O-N 2.81Å; I215-L218 HydrophobicContact CD1-CD1 4.39Å; I215-L218 PolarHBondContact O-N 3.35Å; I215-L218 VanDerWaalsContact O-N 3.11Å; I215-E219 HydrophobicContact CG2-CG 4.29Å; I215-E219 WeakPolarHBondContact CG2-OE2 3.2Å; I215-E219 WeakPolarHBondContact O-CB 3.35Å; I215-E219 WeakPolarHBondContact O-CG 3.49Å; I215-E219 PolarHBondContact O-N 2.6Å
216F98.8Very high98.4Very high105 Ų10554.3 Ų54.346%0.46127%0.266SS..Hα-helixtrans-53.9-47.7174.8165.8-102.9000112.2K212 A213 V214 L218 E219 S220 I223 L228K212-F216 PolarHBondContact O-N 3.31Å; A213-F216 PolarHBondContact O-N 2.83Å; V214-F216 VanDerWaalsContact C-N 3.34Å; V214-F216 PolarHBondContact O-N 2.89Å; F216-L218 PolarHBondContact O-N 3.31Å; F216-E219 PolarHBondContact O-N 3.13Å; F216-S220 VanDerWaalsContact O-CB 3.25Å; F216-S220 WeakPolarHBondContact O-CB 3.42Å; F216-S220 PolarHBondContact O-N 3.42Å; F216-I223 HydrophobicContact CE1-CD1 3.82Å; F216-I223 HydrophobicContact CZ-CD1 3.6Å; F216-L228 HydrophobicContact CD1-CD2 4.02Å; F216-L228 HydrophobicContact CE1-CD2 4.34Å
217L98.8Very high98.5Very high3 Ų353 Ų532%0.01626%0.262CS..Hα-helixtrans-66.7-36177.7-70.6177.7000112.6V132 R173 N175 L177 A213 V214 I215 E219 I223 L228V132-L217 HydrophobicContact CG1-CD1 4.29Å; V132-L217 HydrophobicContact CG2-CB 3.69Å; V132-L217 HydrophobicContact CG2-CD1 4.34Å; R173-L217 PolarHBondContact NH1-O 3.06Å; N175-L217 HydrophobicContact CB-CB 4.45Å; N175-L217 HydrophobicContact CB-CD1 3.99Å; N175-L217 HydrophobicContact CB-CD2 4.18Å; N175-L217 HydrophobicContact CB-CG 4.45Å; L177-L217 HydrophobicContact CB-CD1 4.24Å; L177-L217 HydrophobicContact CD1-CD1 4.08Å; A213-L217 WeakPolarHBondContact O-CG 3.46Å; A213-L217 PolarHBondContact O-N 2.97Å; A213-L217 VanDerWaalsContact O-N 3.08Å; V214-L217 PolarHBondContact O-N 2.98Å; I215-L217 VanDerWaalsContact C-N 3.32Å; I215-L217 PolarHBondContact O-N 2.81Å; L217-E219 VanDerWaalsContact C-N 3.27Å; L217-E219 PolarHBondContact O-N 2.91Å; L217-I223 HydrophobicContact CD2-CG2 3.92Å; L217-L228 HydrophobicContact CD1-CB 4.04Å; L217-L228 HydrophobicContact CD1-CD2 4.16Å; L217-L228 HydrophobicContact CD2-CB 4.3Å; L217-L228 HydrophobicContact CD2-CD2 4.13Å; L217-L228 HydrophobicContact CG-CD2 3.98Å
218L98.6Very high98.5Very high1 Ų155 Ų551%0.00527%0.271CS..Hα-helixtrans-67.3-26.9175.2-71175.6000112.6L22 Y80 V82 A130 V132 R173 V214 I215 F216L22-L218 HydrophobicContact CD2-CD1 4.05Å; Y80-L218 HydrophobicContact CD1-CD2 4.04Å; Y80-L218 HydrophobicContact CD2-CB 4.29Å; Y80-L218 HydrophobicContact CD2-CD1 4.18Å; Y80-L218 WeakPolarHBondContact CE1-O 3.49Å; Y80-L218 HydrophobicContact CE2-CB 4.29Å; Y80-L218 HydrophobicContact CG-CB 4.43Å; Y80-L218 HydrophobicContact CG-CD1 4.29Å; Y80-L218 HydrophobicContact CG-CD2 3.96Å; Y80-L218 HydrophobicContact CG-CG 4.47Å; Y80-L218 PolarHBondContact OH-O 2.9Å; V82-L218 HydrophobicContact CG2-CD1 3.84Å; V82-L218 HydrophobicContact CG2-CD2 4.49Å; A130-L218 HydrophobicContact CB-CD2 3.82Å; V132-L218 HydrophobicContact CB-CD2 4.45Å; V132-L218 HydrophobicContact CG2-CD2 3.74Å; V132-L218 HydrophobicContact CG2-CG 3.87Å; R173-L218 PolarHBondContact NH2-O 3.03Å; V214-L218 HydrophobicContact CG1-CD1 3.92Å; V214-L218 HydrophobicContact CG1-CG 4.25Å; V214-L218 WeakPolarHBondContact O-CG 3.45Å; V214-L218 PolarHBondContact O-N 2.98Å; I215-L218 HydrophobicContact CD1-CD1 4.39Å; I215-L218 PolarHBondContact O-N 3.35Å; I215-L218 VanDerWaalsContact O-N 3.11Å; F216-L218 PolarHBondContact O-N 3.31Å
219E97.4Very high98.6Very high84 Ų8453.2 Ų53.239%0.39327%0.265SS..Hα-helixtrans-99.6-21-176.9-68.6179.1157.100113.8R25 I215 F216 L217 P221R25-E219 IonicContact CZ-OE1 3.16Å; R25-E219 IonicContact CZ-OE2 3.15Å; R25-E219 IonicContact NH1-OE1 2.64Å; R25-E219 PolarHBondContact NH1-OE1 2.81Å; R25-E219 IonicContact NH1-OE2 3.32Å; R25-E219 PolarHBondContact NH1-OE2 3.33Å; I215-E219 HydrophobicContact CG2-CG 4.29Å; I215-E219 WeakPolarHBondContact CG2-OE2 3.2Å; I215-E219 WeakPolarHBondContact O-CB 3.35Å; I215-E219 WeakPolarHBondContact O-CG 3.49Å; I215-E219 PolarHBondContact O-N 2.6Å; F216-E219 PolarHBondContact O-N 3.13Å; L217-E219 VanDerWaalsContact C-N 3.27Å; L217-E219 PolarHBondContact O-N 2.91Å; E219-P221 VanDerWaalsContact O-CD 3.24Å; E219-P221 WeakPolarHBondContact O-CD 3.34Å
220S98.3Very high98.6Very high21 Ų2151.8 Ų51.815%0.14726%0.261CS..  trans-75.9107.5-174-172.90000113.5R173 F216 Y222 I223R173-S220 PolarHBondContact NE-O 3.05Å; R173-S220 PolarHBondContact NH1-O 3.08Å; F216-S220 VanDerWaalsContact O-CB 3.25Å; F216-S220 WeakPolarHBondContact O-CB 3.42Å; F216-S220 PolarHBondContact O-N 3.42Å; S220-Y222 VanDerWaalsContact C-N 3.29Å; S220-Y222 PolarHBondContact O-N 3.43Å; S220-I223 PolarHBondContact O-N 3.29Å; S220-I223 WeakPolarHBondContact OG-CD1 3.24Å; S220-I223 VanDerWaalsContact OG-CG1 3.25Å; S220-I223 WeakPolarHBondContact OG-CG1 3.37Å
221P97.7Very high98.5Very high112 Ų11252.7 Ų52.773%0.72727%0.266SS*.THydrogen-bonded Turntrans-73.8-16.9-166.330.8-36.4000114.1R173 E219R173-P221 WeakPolarHBondContact CD-O 3.4Å; E219-P221 VanDerWaalsContact O-CD 3.24Å; E219-P221 WeakPolarHBondContact O-CD 3.34Å
222Y98.3Very high98.4Very high230 Ų23053.7 Ų53.790%0.90228%0.276SS*.THydrogen-bonded Turntrans-111.513.3-177.2-156.5-120.2000113.4S220S220-Y222 VanDerWaalsContact C-N 3.29Å; S220-Y222 PolarHBondContact O-N 3.43Å
223I98.8Very high98.2Very high42 Ų4247.9 Ų47.922%0.21526%0.256CS..  trans-113115.7177.3-61-179.1000109.5R173 N175 F216 L217 S220 Q226R173-I223 PolarHBondContact NH1-O 2.79Å; N175-I223 PolarHBondContact ND2-O 3.47Å; F216-I223 HydrophobicContact CE1-CD1 3.82Å; F216-I223 HydrophobicContact CZ-CD1 3.6Å; L217-I223 HydrophobicContact CD2-CG2 3.92Å; S220-I223 PolarHBondContact O-N 3.29Å; S220-I223 WeakPolarHBondContact OG-CD1 3.24Å; S220-I223 VanDerWaalsContact OG-CG1 3.25Å; S220-I223 WeakPolarHBondContact OG-CG1 3.37Å; I223-Q226 HydrophobicContact CG2-CB 3.88Å; I223-Q226 HydrophobicContact CG2-CG 3.82Å
224T98.9Very high98Very high49 Ų4948.5 Ų48.530%0.30126%0.257SS..  trans-147.3149.6171.1-164.90000110.3A164 R173 V174 N175 Q226A164-T224 WeakPolarHBondContact CB-OG1 3.29Å; R173-T224 WeakPolarHBondContact CA-OG1 3.5Å; V174-T224 PolarHBondContact N-OG1 3.45Å; V174-T224 VanDerWaalsContact N-OG1 3.08Å; N175-T224 VanDerWaalsContact OD1-C 3.25Å; N175-T224 WeakPolarHBondContact OD1-CA 3.46Å; N175-T224 PolarHBondContact OD1-N 2.81Å; T224-Q226 PolarHBondContact O-N 2.85Å
225G98.6Very high97.6Very high13 Ų1351.2 Ų51.213%0.13427%0.27CS..SBendtrans69.511.7-177.900000114.8R161 V174 N175R161-G225 WeakPolarHBondContact CG-O 3.49Å; V174-G225 WeakPolarHBondContact O-CA 3.38Å; V174-G225 PolarHBondContact O-N 2.94Å; N175-G225 PolarHBondContact OD1-N 3.35Å
226Q98.7Very high97.2Very high112 Ų11257.5 Ų57.552%0.52330%0.303SS..  trans-93.1152.9-175.8-66.2-55.4-45.600112.7N175 L176 I223 T224N175-Q226 PolarHBondContact OD1-N 2.65Å; L176-Q226 PolarHBondContact N-O 3.11Å; I223-Q226 HydrophobicContact CG2-CB 3.88Å; I223-Q226 HydrophobicContact CG2-CG 3.82Å; T224-Q226 PolarHBondContact O-N 2.85Å
227V98.7Very high96Very high34 Ų3454.6 Ų54.621%0.20630%0.298CS..EExtended strand (participates in β ladder)trans-106.5112.6168-175.60000108.1L140 E157 L176 A178 V229L140-V227 HydrophobicContact CD1-CG1 4.07Å; L140-V227 HydrophobicContact CD2-CG1 4.44Å; E157-V227 HydrophobicContact CG-CG2 3.8Å; L176-V227 HydrophobicContact CB-CG2 4.16Å; L176-V227 HydrophobicContact CD2-CG1 3.97Å; L176-V227 HydrophobicContact CD2-CG2 3.92Å; L176-V227 HydrophobicContact CG-CG1 4.48Å; L176-V227 CarbonylContact O-C 3.6Å; L176-V227 WeakPolarHBondContact O-CA 3.48Å; A178-V227 HydrophobicContact CB-CG1 3.98Å; V227-V229 HydrophobicContact CG1-CG2 4.44Å
228L98.8Very high93.7Very high55 Ų5566.9 Ų66.929%0.28836%0.359SS..EExtended strand (participates in β ladder)trans-97.9122.9172.8177.961.8000109.4L176 L177 A178 A213 F216 L217 V230L176-L228 PolarHBondContact O-N 3.22Å; L177-L228 CarbonylContact C-O 3.55Å; L177-L228 WeakPolarHBondContact CA-O 3.4Å; L177-L228 HydrophobicContact CD1-CB 3.9Å; L177-L228 HydrophobicContact CD1-CD2 3.78Å; L177-L228 HydrophobicContact CD1-CG 3.82Å; A178-L228 PolarHBondContact N-O 3.22Å; A213-L228 HydrophobicContact CB-CD2 4.02Å; F216-L228 HydrophobicContact CD1-CD2 4.02Å; F216-L228 HydrophobicContact CE1-CD2 4.34Å; L217-L228 HydrophobicContact CD1-CB 4.04Å; L217-L228 HydrophobicContact CD1-CD2 4.16Å; L217-L228 HydrophobicContact CD2-CB 4.3Å; L217-L228 HydrophobicContact CD2-CD2 4.13Å; L217-L228 HydrophobicContact CG-CD2 3.98Å; L228-V230 HydrophobicContact CG-CG2 4.46Å
229V98.6Very high93.5Very high34 Ų3470.2 Ų70.221%0.20638%0.376CS..EExtended strand (participates in β ladder)trans-95.9133.7179.5-178.80000110.6V137 L140 A178 V227 D231 Q235V137-V229 HydrophobicContact CG1-CG1 3.6Å; L140-V229 HydrophobicContact CD1-CG2 3.97Å; A178-V229 HydrophobicContact CB-CG2 4.22Å; A178-V229 WeakPolarHBondContact O-CA 3.5Å; V227-V229 HydrophobicContact CG1-CG2 4.44Å; V229-D231 HydrophobicContact CG1-CB 3.85Å; V229-D231 WeakPolarHBondContact CG1-OD2 3.29Å; V229-Q235 HydrophobicContact CG1-CG 4.42Å; V229-Q235 VanDerWaalsContact CG1-NE2 3.3Å
230V98.3Very high93.2Very high37 Ų3769.5 Ų69.522%0.22438%0.376CS..EExtended strand (participates in β ladder)trans-132.286.7176.5-176.90000108.8L177 A178 P179 G180 A213 L228L177-V230 HydrophobicContact CD1-CG2 3.79Å; A178-V230 PolarHBondContact O-N 3.49Å; P179-V230 CarbonylContact C-O 3.5Å; P179-V230 VanDerWaalsContact CA-O 3.31Å; P179-V230 WeakPolarHBondContact CA-O 3.48Å; G180-V230 PolarHBondContact N-O 3.43Å; A213-V230 HydrophobicContact CB-CG2 3.7Å; L228-V230 HydrophobicContact CG-CG2 4.46Å
231D97.1Very high93Very high18 Ų1872.2 Ų72.210%0.09639%0.388CS..SBendtrans-140.610.3-167.171.8-13.1000114.5V137 V229 G233 L234 Q235V137-D231 HydrophobicContact CG1-CB 3.76Å; V229-D231 HydrophobicContact CG1-CB 3.85Å; V229-D231 WeakPolarHBondContact CG1-OD2 3.29Å; D231-G233 PolarHBondContact O-N 3.12Å; D231-G233 WeakPolarHBondContact OD1-CA 3.5Å; D231-G233 PolarHBondContact OD1-N 3.03Å; D231-L234 HydrophobicContact CB-CB 4.04Å; D231-L234 WeakPolarHBondContact O-CB 3.4Å; D231-L234 PolarHBondContact O-N 2.97Å; D231-L234 VanDerWaalsContact O-N 3.13Å; D231-Q235 WeakPolarHBondContact OD2-CB 3.35Å; D231-Q235 WeakPolarHBondContact OD2-CG 3.42Å; D231-Q235 PolarHBondContact OD2-N 3.04Å
232G96.8Very high92.7Very high22 Ų2269.8 Ų69.823%0.22737%0.368CS..THydrogen-bonded Turntrans62.523.8-17700000114.1I199 P200 L201 L234I199-G232 WeakPolarHBondContact CG2-O 3.22Å; P200-G232 VanDerWaalsContact CD-O 3.3Å; P200-G232 WeakPolarHBondContact CD-O 3.27Å; L201-G232 PolarHBondContact N-O 3.13Å; L201-G232 VanDerWaalsContact N-O 3.14Å; G232-L234 VanDerWaalsContact C-N 3.35Å
233G95.7Very high92.3Very high17 Ų1759.8 Ų59.818%0.17534%0.335CS..THydrogen-bonded Turntrans84.36.1-177.900000113.9P200 D231 Q235 L236P200-G233 WeakPolarHBondContact CD-O 3.09Å; P200-G233 WeakPolarHBondContact CG-O 3.46Å; D231-G233 PolarHBondContact O-N 3.12Å; D231-G233 WeakPolarHBondContact OD1-CA 3.5Å; D231-G233 PolarHBondContact OD1-N 3.03Å; G233-Q235 PolarHBondContact O-N 3.44Å; G233-L236 WeakPolarHBondContact O-CB 3.44Å; G233-L236 PolarHBondContact O-N 3.15Å
234L93.3Very high91.9Very high27 Ų2761 Ų6114%0.14134%0.343CS..G310 helixtrans-50.8-41.6-178.8172.561.8000112.3V137 F181 I199 D231 G232 L236 A237V137-L234 HydrophobicContact CG2-CD2 4.22Å; F181-L234 HydrophobicContact CD2-CD2 3.57Å; F181-L234 HydrophobicContact CE2-CD2 3.6Å; I199-L234 HydrophobicContact CG1-CB 4.28Å; I199-L234 HydrophobicContact CG1-CD1 3.99Å; D231-L234 HydrophobicContact CB-CB 4.04Å; D231-L234 WeakPolarHBondContact O-CB 3.4Å; D231-L234 PolarHBondContact O-N 2.97Å; D231-L234 VanDerWaalsContact O-N 3.13Å; G232-L234 VanDerWaalsContact C-N 3.35Å; L234-L236 PolarHBondContact O-N 2.97Å; L234-A237 WeakPolarHBondContact O-CB 3.35Å; L234-A237 PolarHBondContact O-N 3.11Å; L234-A237 VanDerWaalsContact O-N 3.14Å
235Q91.8Very high91.4Very high57 Ų5761.9 Ų61.927%0.26635%0.346SS..G310 helixtrans-62.4-24.817971.3173.3-32.900112.8K141 V229 D231 G233 A237K141-Q235 HydrophobicContact CD-CB 3.89Å; K141-Q235 PolarHBondContact NZ-O 2.81Å; V229-Q235 HydrophobicContact CG1-CG 4.42Å; V229-Q235 VanDerWaalsContact CG1-NE2 3.3Å; D231-Q235 WeakPolarHBondContact OD2-CB 3.35Å; D231-Q235 WeakPolarHBondContact OD2-CG 3.42Å; D231-Q235 PolarHBondContact OD2-N 3.04Å; G233-Q235 PolarHBondContact O-N 3.44Å; Q235-A237 VanDerWaalsContact C-N 3.28Å
236L89.1Confident90.8Very high135 Ų13565.6 Ų65.671%0.70736%0.362SS*.G310 helixtrans-76.8-20.3-179.8-56177.8000112.4G233 L234 M238G233-L236 WeakPolarHBondContact O-CB 3.44Å; G233-L236 PolarHBondContact O-N 3.15Å; L234-L236 PolarHBondContact O-N 2.97Å; L236-M238 PolarHBondContact O-N 3.08Å
237A73.2Confident90.2Very high44 Ų4461.8 Ų61.836%0.36435%0.349SS..  trans-66.8125.5178.100000109.7T198 L234 Q235T198-A237 VanDerWaalsContact O-CB 3.29Å; T198-A237 WeakPolarHBondContact O-CB 3.35Å; L234-A237 WeakPolarHBondContact O-CB 3.35Å; L234-A237 PolarHBondContact O-N 3.11Å; L234-A237 VanDerWaalsContact O-N 3.14Å; Q235-A237 VanDerWaalsContact C-N 3.28Å
238M51.2Low89.4Confident261 Ų26164.3 Ų64.3100%1.28636%0.362SS*.  trans-74.50170.7-75-171-7800110.9L236L236-M238 PolarHBondContact O-N 3.08Å

Retrieved 238 of 238 residues in 699.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).