A0A087XNK9_POEFO Loading...

Niban apoptosis regulator 2a

AlphaFold DB , UniProt , Accession A0A087XNK9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 856 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
1M38.7Very low76.9Confident242 Ų24274.9 Ų74.9100%1.19243%0.431SS*.  0139.20-74.4-177.3-81.300106.7
2G52.2Low78.1Confident59 Ų5975.4 Ų75.461%0.60844%0.443SS*.  trans-65.9161.3175.500000112
3D76.4Confident79.2Confident94 Ų9472.4 Ų72.450%0.50342%0.419SS..  trans-59.8155.2170.7172.856000111.6V5 S6 S7D3-V5 VanDerWaalsContact C-N 3.26Å; D3-V5 PolarHBondContact O-N 3.28Å; D3-V5 VanDerWaalsContact OD2-CB 3.24Å; D3-V5 WeakPolarHBondContact OD2-CB 3.45Å; D3-V5 WeakPolarHBondContact OD2-CG2 3.34Å; D3-V5 PolarHBondContact OD2-N 3.06Å; D3-S6 PolarHBondContact N-OG 3.06Å; D3-S6 PolarHBondContact O-N 3.46Å; D3-S6 VanDerWaalsContact O-N 3.1Å; D3-S6 PolarHBondContact O-OG 2.9Å; D3-S7 WeakPolarHBondContact O-CB 3.29Å; D3-S7 PolarHBondContact O-N 3.42Å
4V78.7Confident80.2Confident31 Ų3171.8 Ų71.819%0.18841%0.406CS..THydrogen-bonded Turntrans-48.6-46.6176.9174.70000111.8S7 H8 K267 I271V4-S7 PolarHBondContact O-N 3.27Å; V4-S7 PolarHBondContact O-OG 3.04Å; V4-H8 PolarHBondContact O-N 2.64Å; V4-K267 HydrophobicContact CG1-CB 3.78Å; V4-K267 HydrophobicContact CG1-CD 4.22Å; V4-K267 HydrophobicContact CG1-CG 3.77Å; V4-K267 HydrophobicContact CG2-CD 4.17Å; V4-K267 HydrophobicContact CG2-CG 4.02Å; V4-I271 HydrophobicContact CG1-CD1 4.06Å; V4-I271 HydrophobicContact CG1-CG1 4.26Å
5V81.8Confident81.1Confident23 Ų2375 Ų7514%0.13942%0.417CS..THydrogen-bonded Turntrans-63.9-50.1179.5-176.90000109.8D3 S7 H8 L9 L270 A274D3-V5 VanDerWaalsContact C-N 3.26Å; D3-V5 PolarHBondContact O-N 3.28Å; D3-V5 VanDerWaalsContact OD2-CB 3.24Å; D3-V5 WeakPolarHBondContact OD2-CB 3.45Å; D3-V5 WeakPolarHBondContact OD2-CG2 3.34Å; D3-V5 PolarHBondContact OD2-N 3.06Å; V5-S7 PolarHBondContact O-N 3.32Å; V5-H8 PolarHBondContact O-N 3.48Å; V5-H8 VanDerWaalsContact O-N 3.12Å; V5-L9 HydrophobicContact CG1-CB 4.45Å; V5-L9 HydrophobicContact CG1-CD1 3.85Å; V5-L9 HydrophobicContact CG1-CG 4.34Å; V5-L9 PolarHBondContact O-N 3.34Å; V5-L270 HydrophobicContact CG2-CB 4.39Å; V5-A274 HydrophobicContact CG1-CB 3.47Å; V5-A274 VanDerWaalsContact CG1-CB 3.47Å; V5-A274 HydrophobicContact CG2-CB 4.28Å
6S81.4Confident82Confident65 Ų6574.1 Ų74.146%0.45541%0.409SS..THydrogen-bonded Turntrans-60.3-28.8177.773.90000113.8D3 H8D3-S6 PolarHBondContact N-OG 3.06Å; D3-S6 PolarHBondContact O-N 3.46Å; D3-S6 VanDerWaalsContact O-N 3.1Å; D3-S6 PolarHBondContact O-OG 2.9Å; S6-H8 VanDerWaalsContact C-N 3.34Å
7S83.7Confident82.8Confident67 Ų6769.7 Ų69.747%0.46939%0.385SS..THydrogen-bonded Turntrans-82.1-9.7-18076.50000114.5D3 V4 V5D3-S7 WeakPolarHBondContact O-CB 3.29Å; D3-S7 PolarHBondContact O-N 3.42Å; V4-S7 PolarHBondContact O-N 3.27Å; V4-S7 PolarHBondContact O-OG 3.04Å; V5-S7 PolarHBondContact O-N 3.32Å
8H85.8Confident83.5Confident30 Ų3067.7 Ų67.714%0.13938%0.375CS..THydrogen-bonded Turntrans-131.3-18.2-174.5-70.6-36.6000114.3V4 V5 S6 R13 I253 I271V4-H8 PolarHBondContact O-N 2.64Å; V5-H8 PolarHBondContact O-N 3.48Å; V5-H8 VanDerWaalsContact O-N 3.12Å; S6-H8 VanDerWaalsContact C-N 3.34Å; H8-R13 WeakPolarHBondContact O-CD 3.49Å; H8-R13 PolarHBondContact O-NH1 2.96Å; H8-I253 HydrophobicContact CB-CG2 4.26Å; H8-I271 HydrophobicContact CB-CD1 3.78Å; H8-I271 HydrophobicContact CB-CG1 4.37Å
9L88.3Confident84.1Confident3 Ų366.2 Ų66.22%0.01637%0.372CS..SBendtrans-11571166.8-57.4-177.5000108.7V5 R14 I17 I253 I271 A274 V275V5-L9 HydrophobicContact CG1-CB 4.45Å; V5-L9 HydrophobicContact CG1-CD1 3.85Å; V5-L9 HydrophobicContact CG1-CG 4.34Å; V5-L9 PolarHBondContact O-N 3.34Å; L9-R14 HydrophobicContact CB-CG 4.4Å; L9-R14 PolarHBondContact O-NE 3.01Å; L9-I17 HydrophobicContact CD2-CD1 3.97Å; L9-I253 HydrophobicContact CD2-CD1 4.34Å; L9-I271 HydrophobicContact CD1-CG2 4.44Å; L9-I271 HydrophobicContact CD2-CG2 4.11Å; L9-I271 HydrophobicContact CG-CG2 4.23Å; L9-A274 HydrophobicContact CD1-CB 3.79Å; L9-V275 HydrophobicContact CD1-CG2 3.72Å; L9-V275 HydrophobicContact CD2-CG2 3.79Å; L9-V275 HydrophobicContact CG-CG2 4.42Å
10D89.4Confident84.7Confident81 Ų8168.1 Ų68.143%0.43337%0.373SS..  trans-72.3166.5167.654.85.9000110.8S12 R13 R14D10-S12 VanDerWaalsContact C-N 3.31Å; D10-S12 PolarHBondContact O-N 3.24Å; D10-R13 WeakPolarHBondContact O-CB 3.3Å; D10-R13 PolarHBondContact O-N 2.98Å; D10-R13 VanDerWaalsContact OD1-CB 3.29Å; D10-R13 WeakPolarHBondContact OD1-CB 3.41Å; D10-R13 WeakPolarHBondContact OD1-CD 3.41Å; D10-R13 WeakPolarHBondContact OD1-CG 3.33Å; D10-R13 PolarHBondContact OD1-N 3.11Å; D10-R13 IonicContact OD1-NE 2.67Å; D10-R14 PolarHBondContact O-N 2.68Å
11E90.1Very high85.3Confident129 Ų12964.9 Ų64.960%0.60336%0.355SS*.Hα-helixtrans-57.8-43.4-170-159.558.2-15200112.4R13 R14 E15E11-R13 VanDerWaalsContact C-N 3.25Å; E11-R13 PolarHBondContact O-N 3.34Å; E11-R14 CarbonylContact O-C 3.59Å; E11-R14 WeakPolarHBondContact O-CA 3.09Å; E11-R14 WeakPolarHBondContact O-CB 3.43Å; E11-R14 PolarHBondContact O-N 3.03Å; E11-E15 WeakPolarHBondContact O-CG 3.39Å; E11-E15 PolarHBondContact O-N 3.25Å
12S91.3Very high88Confident81 Ų8159.6 Ų59.657%0.56632%0.322SS*.Hα-helixtrans-59.5-32.5176.7-1760000113.4D10 M16D10-S12 VanDerWaalsContact C-N 3.31Å; D10-S12 PolarHBondContact O-N 3.24Å; S12-M16 WeakPolarHBondContact O-CB 3.38Å; S12-M16 PolarHBondContact O-N 3.04Å
13R91.8Very high90.1Very high36 Ų3660.4 Ų60.414%0.13631%0.313CS..Hα-helixtrans-76.1-33.9172.1-74.4173.7173.5-168.6-13.4112.4H8 D10 E11 M16 I17H8-R13 WeakPolarHBondContact O-CD 3.49Å; H8-R13 PolarHBondContact O-NH1 2.96Å; D10-R13 WeakPolarHBondContact O-CB 3.3Å; D10-R13 PolarHBondContact O-N 2.98Å; D10-R13 VanDerWaalsContact OD1-CB 3.29Å; D10-R13 WeakPolarHBondContact OD1-CB 3.41Å; D10-R13 WeakPolarHBondContact OD1-CD 3.41Å; D10-R13 WeakPolarHBondContact OD1-CG 3.33Å; D10-R13 PolarHBondContact OD1-N 3.11Å; D10-R13 IonicContact OD1-NE 2.67Å; E11-R13 VanDerWaalsContact C-N 3.25Å; E11-R13 PolarHBondContact O-N 3.34Å; R13-M16 PolarHBondContact O-N 3.06Å; R13-I17 WeakPolarHBondContact O-CB 3.4Å; R13-I17 WeakPolarHBondContact O-CD1 3.17Å; R13-I17 WeakPolarHBondContact O-CG1 3.46Å; R13-I17 PolarHBondContact O-N 2.75Å
14R93.5Very high91Very high64 Ų6456.4 Ų56.424%0.24229%0.291CS..Hα-helixtrans-68.1-39.3174.5-64.1-175.4178.1-84.48.1111.6L9 D10 E11 T18 Q278L9-R14 HydrophobicContact CB-CG 4.4Å; L9-R14 PolarHBondContact O-NE 3.01Å; D10-R14 PolarHBondContact O-N 2.68Å; E11-R14 CarbonylContact O-C 3.59Å; E11-R14 WeakPolarHBondContact O-CA 3.09Å; E11-R14 WeakPolarHBondContact O-CB 3.43Å; E11-R14 PolarHBondContact O-N 3.03Å; R14-T18 VanDerWaalsContact O-CB 3.31Å; R14-T18 WeakPolarHBondContact O-CB 3.3Å; R14-T18 PolarHBondContact O-N 3.08Å; R14-T18 PolarHBondContact O-OG1 2.82Å; R14-Q278 PolarHBondContact O-NE2 3.49Å
15E94.3Very high91.9Very high120 Ų12055.3 Ų55.356%0.56129%0.285SS*.Hα-helixtrans-59.9-47169.1-70.1176.1147.600111.1E11 T18 A19E11-E15 WeakPolarHBondContact O-CG 3.39Å; E11-E15 PolarHBondContact O-N 3.25Å; E15-T18 CarbonylContact O-C 3.57Å; E15-T18 WeakPolarHBondContact O-CB 3.32Å; E15-T18 PolarHBondContact O-N 2.86Å; E15-T18 VanDerWaalsContact O-N 3.17Å; E15-A19 PolarHBondContact O-N 3.02Å
16M94.6Very high92.6Very high60 Ų6057.8 Ų57.830%0.29630%0.3SS..Hα-helixtrans-61.4-46.7177.1-175-79.5-70.300112.5S12 R13 T18 A19 R20 L245 L249S12-M16 WeakPolarHBondContact O-CB 3.38Å; S12-M16 PolarHBondContact O-N 3.04Å; R13-M16 PolarHBondContact O-N 3.06Å; M16-T18 PolarHBondContact O-N 3.33Å; M16-A19 PolarHBondContact O-N 2.63Å; M16-R20 WeakPolarHBondContact O-CB 3.43Å; M16-R20 WeakPolarHBondContact O-CG 3.37Å; M16-R20 PolarHBondContact O-N 3.23Å; M16-R20 HydrophobicContact SD-CG 3.67Å; M16-L245 HydrophobicContact CE-CD1 4.45Å; M16-L245 HydrophobicContact SD-CD1 4.27Å; M16-L249 HydrophobicContact CE-CD2 3.67Å
17I95.8Very high93.4Very high0 Ų059.3 Ų59.30%030%0.3CS..Hα-helixtrans-57.7-40.6173.7-71.2160.3000110.7L9 R13 T21 L245 L249 V275 Q278 V279L9-I17 HydrophobicContact CD2-CD1 3.97Å; R13-I17 WeakPolarHBondContact O-CB 3.4Å; R13-I17 WeakPolarHBondContact O-CD1 3.17Å; R13-I17 WeakPolarHBondContact O-CG1 3.46Å; R13-I17 PolarHBondContact O-N 2.75Å; I17-T21 WeakPolarHBondContact O-CB 3.46Å; I17-T21 PolarHBondContact O-N 3.39Å; I17-T21 PolarHBondContact O-OG1 3.45Å; I17-L245 HydrophobicContact CB-CD2 4.49Å; I17-L245 HydrophobicContact CG1-CD2 4.27Å; I17-L245 HydrophobicContact CG2-CD2 4.09Å; I17-L249 HydrophobicContact CD1-CD1 4.25Å; I17-L249 HydrophobicContact CD1-CD2 4.4Å; I17-L249 HydrophobicContact CG1-CD1 4.24Å; I17-L249 HydrophobicContact CG1-CD2 4.37Å; I17-V275 HydrophobicContact CD1-CG1 4.15Å; I17-V275 HydrophobicContact CD1-CG2 3.92Å; I17-V275 HydrophobicContact CG1-CG1 4.47Å; I17-V275 HydrophobicContact CG2-CG1 4.23Å; I17-Q278 HydrophobicContact CG2-CG 4.44Å; I17-V279 HydrophobicContact CG2-CG2 3.95Å
18T95.9Very high94Very high34 Ų3456.1 Ų56.121%0.20928%0.278CS..Hα-helixtrans-68.5-39.9178.8-58.10000112.2R14 E15 M16 R22 Q278 Q282R14-T18 VanDerWaalsContact O-CB 3.31Å; R14-T18 WeakPolarHBondContact O-CB 3.3Å; R14-T18 PolarHBondContact O-N 3.08Å; R14-T18 PolarHBondContact O-OG1 2.82Å; E15-T18 CarbonylContact O-C 3.57Å; E15-T18 WeakPolarHBondContact O-CB 3.32Å; E15-T18 PolarHBondContact O-N 2.86Å; E15-T18 VanDerWaalsContact O-N 3.17Å; M16-T18 PolarHBondContact O-N 3.33Å; T18-R22 WeakPolarHBondContact O-CB 3.23Å; T18-R22 PolarHBondContact O-N 3.22Å; T18-Q278 PolarHBondContact OG1-NE2 3.01Å; T18-Q282 PolarHBondContact OG1-NE2 2.9Å
19A95.6Very high94.6Very high38 Ų3855.1 Ų55.131%0.31428%0.275SS..Hα-helixtrans-63-52.3173.300000110.7E15 M16 T21 R22 D23E15-A19 PolarHBondContact O-N 3.02Å; M16-A19 PolarHBondContact O-N 2.63Å; A19-T21 VanDerWaalsContact C-N 3.3Å; A19-T21 PolarHBondContact O-N 3.42Å; A19-R22 WeakPolarHBondContact O-CB 3.5Å; A19-R22 PolarHBondContact O-N 2.93Å; A19-D23 PolarHBondContact O-N 3.28Å
20R94.9Very high95Very high105 Ų10559 Ų5940%0.39630%0.296SS..Hα-helixtrans-54.9-43.3175.7-72.4-71-163.1-130.61.8112.7M16 D23 V24 L245 E248M16-R20 WeakPolarHBondContact O-CB 3.43Å; M16-R20 WeakPolarHBondContact O-CG 3.37Å; M16-R20 PolarHBondContact O-N 3.23Å; M16-R20 HydrophobicContact SD-CG 3.67Å; R20-D23 PolarHBondContact O-N 3.04Å; R20-V24 VanDerWaalsContact O-CG2 3.31Å; R20-V24 WeakPolarHBondContact O-CG2 3.22Å; R20-V24 PolarHBondContact O-N 2.98Å; R20-V24 VanDerWaalsContact O-N 3.17Å; R20-L245 HydrophobicContact CB-CD1 4.23Å; R20-L245 HydrophobicContact CG-CD1 4.09Å; R20-E248 IonicContact CZ-OE1 3.63Å; R20-E248 IonicContact CZ-OE2 2.77Å; R20-E248 IonicContact NE-OE1 2.86Å; R20-E248 IonicContact NE-OE2 3.21Å; R20-E248 PolarHBondContact NE-OE2 2.96Å; R20-E248 IonicContact NH2-OE1 3.55Å; R20-E248 PolarHBondContact NH2-OE1 3.22Å; R20-E248 IonicContact NH2-OE2 3.95Å; R20-E248 PolarHBondContact NH2-OE2 3.12Å
21T96.7Very high95.3Very high0 Ų057 Ų570%029%0.285CS..Hα-helixtrans-63.4-43.2177.5-570000111.1I17 A19 V24 M25 V241 V279 Q282 T283I17-T21 WeakPolarHBondContact O-CB 3.46Å; I17-T21 PolarHBondContact O-N 3.39Å; I17-T21 PolarHBondContact O-OG1 3.45Å; A19-T21 VanDerWaalsContact C-N 3.3Å; A19-T21 PolarHBondContact O-N 3.42Å; T21-V24 PolarHBondContact O-N 3.23Å; T21-M25 HydrophobicContact CG2-CG 4.49Å; T21-M25 WeakPolarHBondContact O-CB 3.27Å; T21-M25 VanDerWaalsContact O-CG 3.31Å; T21-M25 WeakPolarHBondContact O-CG 3.45Å; T21-M25 PolarHBondContact O-N 3Å; T21-V241 HydrophobicContact CG2-CG2 4.24Å; T21-V279 HydrophobicContact CG2-CG1 4.2Å; T21-Q282 HydrophobicContact CG2-CB 3.88Å; T21-T283 HydrophobicContact CG2-CG2 4.11Å
22R96.1Very high95.6Very high131 Ų13150.9 Ų50.949%0.49426%0.257SS..Hα-helixtrans-64.5-45.2175.1-170.2-175.1-60.1122.12.8112.1T18 A19 V24 M25 T26T18-R22 WeakPolarHBondContact O-CB 3.23Å; T18-R22 PolarHBondContact O-N 3.22Å; A19-R22 WeakPolarHBondContact O-CB 3.5Å; A19-R22 PolarHBondContact O-N 2.93Å; R22-V24 PolarHBondContact O-N 2.98Å; R22-M25 PolarHBondContact O-N 2.93Å; R22-M25 VanDerWaalsContact O-N 3.09Å; R22-T26 PolarHBondContact O-N 3.02Å; R22-T26 PolarHBondContact O-OG1 3.3Å
23D95.8Very high95.9Very high77 Ų7751.9 Ų51.941%0.41225%0.252SS..Hα-helixtrans-55.3-42.6179.3-61.8-22.6000110.9A19 R20 Q27A19-D23 PolarHBondContact O-N 3.28Å; R20-D23 PolarHBondContact O-N 3.04Å; D23-Q27 WeakPolarHBondContact O-CG 3.28Å; D23-Q27 PolarHBondContact O-N 2.92Å; D23-Q27 PolarHBondContact O-NE2 2.95Å
24V96.3Very high96.1Very high9 Ų955.2 Ų55.26%0.05527%0.268CS..Hα-helixtrans-67.6-48.3174.8174.20000111.2R20 T21 R22 T26 Q27 F28 Y216 V241R20-V24 VanDerWaalsContact O-CG2 3.31Å; R20-V24 WeakPolarHBondContact O-CG2 3.22Å; R20-V24 PolarHBondContact O-N 2.98Å; R20-V24 VanDerWaalsContact O-N 3.17Å; T21-V24 PolarHBondContact O-N 3.23Å; R22-V24 PolarHBondContact O-N 2.98Å; V24-T26 VanDerWaalsContact C-N 3.35Å; V24-T26 PolarHBondContact O-N 3.04Å; V24-Q27 PolarHBondContact O-N 2.86Å; V24-F28 WeakPolarHBondContact O-CB 3.21Å; V24-F28 PolarHBondContact O-N 3.24Å; V24-Y216 HydrophobicContact CG1-CE1 4.26Å; V24-Y216 WeakPolarHBondContact CG2-OH 3.24Å; V24-V241 HydrophobicContact CB-CG2 3.86Å; V24-V241 HydrophobicContact CG1-CG2 3.66Å; V24-V241 HydrophobicContact CG2-CG2 4.17Å
25M97.2Very high96.2Very high9 Ų952.6 Ų52.64%0.04426%0.258CS..Hα-helixtrans-64.1-34.2-178-76.4-57.2-52.700113.5T21 R22 F28 G29 L237 T283 Q286T21-M25 HydrophobicContact CG2-CG 4.49Å; T21-M25 WeakPolarHBondContact O-CB 3.27Å; T21-M25 VanDerWaalsContact O-CG 3.31Å; T21-M25 WeakPolarHBondContact O-CG 3.45Å; T21-M25 PolarHBondContact O-N 3Å; R22-M25 PolarHBondContact O-N 2.93Å; R22-M25 VanDerWaalsContact O-N 3.09Å; M25-F28 HydrophobicContact CE-CD1 4.33Å; M25-G29 PolarHBondContact O-N 3.14Å; M25-L237 HydrophobicContact CE-CD1 3.9Å; M25-L237 HydrophobicContact SD-CB 4.21Å; M25-L237 HydrophobicContact SD-CD1 3.93Å; M25-L237 HydrophobicContact SD-CD2 4.08Å; M25-L237 HydrophobicContact SD-CG 4.31Å; M25-T283 HydrophobicContact CG-CG2 4.36Å; M25-T283 HydrophobicContact SD-CG2 3.92Å; M25-Q286 HydrophobicContact CE-CB 3.9Å; M25-Q286 HydrophobicContact CG-CB 4.35Å
26T97.1Very high96.3Very high75 Ų7547 Ų4746%0.4623%0.232SC..Hα-helixtrans-66.1-51.8173.8-61.90000110.9R22 V24 F28 G29 D30R22-T26 PolarHBondContact O-N 3.02Å; R22-T26 PolarHBondContact O-OG1 3.3Å; V24-T26 VanDerWaalsContact C-N 3.35Å; V24-T26 PolarHBondContact O-N 3.04Å; T26-F28 PolarHBondContact O-N 2.68Å; T26-G29 WeakPolarHBondContact O-CA 3.41Å; T26-G29 PolarHBondContact O-N 3.01Å; T26-D30 VanDerWaalsContact O-CG 3.25Å; T26-D30 PolarHBondContact O-N 3.35Å
27Q96.9Very high96.3Very high97 Ų9744.4 Ų44.445%0.45322%0.22SC..Hα-helixtrans-61-32.7177.4-73.6166.980.200112.9D23 V24 L31 Y216D23-Q27 WeakPolarHBondContact O-CG 3.28Å; D23-Q27 PolarHBondContact O-N 2.92Å; D23-Q27 PolarHBondContact O-NE2 2.95Å; V24-Q27 PolarHBondContact O-N 2.86Å; Q27-L31 WeakPolarHBondContact O-CG 3.08Å; Q27-Y216 HydrophobicContact CB-CD2 4.14Å; Q27-Y216 HydrophobicContact CB-CE2 3.64Å
28F97.4Very high96.3Very high0 Ų044.8 Ų44.80%022%0.222CC..Hα-helixtrans-69.6-43.8171.5175.4-92.9000111.7V24 M25 T26 L31 Y32 F209 S212 V213 L237 Y287 L290V24-F28 WeakPolarHBondContact O-CB 3.21Å; V24-F28 PolarHBondContact O-N 3.24Å; M25-F28 HydrophobicContact CE-CD1 4.33Å; T26-F28 PolarHBondContact O-N 2.68Å; F28-L31 WeakPolarHBondContact O-CB 3.35Å; F28-L31 PolarHBondContact O-N 3.44Å; F28-L31 VanDerWaalsContact O-N 3.15Å; F28-Y32 HydrophobicContact CE1-CD2 4.06Å; F28-Y32 HydrophobicContact CE1-CG 4.07Å; F28-Y32 AromaticContact CZ-CD2 3.82Å; F28-Y32 HydrophobicContact CZ-CD2 3.82Å; F28-Y32 HydrophobicContact CZ-CG 4.25Å; F28-Y32 WeakPolarHBondContact O-CB 3.32Å; F28-Y32 PolarHBondContact O-N 3.03Å; F28-F209 HydrophobicContact CE1-CD2 4.3Å; F28-F209 HydrophobicContact CE1-CE2 4.27Å; F28-F209 HydrophobicContact CE2-CD2 4.28Å; F28-F209 HydrophobicContact CE2-CE2 4.13Å; F28-F209 AromaticContact CZ-CD2 3.51Å; F28-F209 HydrophobicContact CZ-CD2 3.51Å; F28-F209 AromaticContact CZ-CE2 3.57Å; F28-F209 HydrophobicContact CZ-CE2 3.57Å; F28-S212 VanDerWaalsContact CE2-CB 3.44Å; F28-V213 HydrophobicContact CD2-CG2 4.4Å; F28-V213 HydrophobicContact CE2-CG2 3.75Å; F28-L237 HydrophobicContact CB-CD2 4.41Å; F28-L237 HydrophobicContact CD1-CD2 3.73Å; F28-L237 HydrophobicContact CD2-CD2 3.72Å; F28-L237 HydrophobicContact CE1-CD1 4.3Å; F28-L237 HydrophobicContact CE1-CD2 3.93Å; F28-L237 HydrophobicContact CE2-CD2 3.89Å; F28-L237 HydrophobicContact CG-CD2 3.64Å; F28-L237 HydrophobicContact CZ-CD2 4.02Å; F28-Y287 HydrophobicContact CE1-CD2 4.2Å; F28-Y287 HydrophobicContact CE1-CE2 4.26Å; F28-L290 HydrophobicContact CD1-CD2 4.04Å; F28-L290 HydrophobicContact CE1-CD2 3.9Å
29G97.3Very high96.2Very high9 Ų943.6 Ų43.69%0.09322%0.216CC..Hα-helixtrans-59.3-45.5176.300000112.9M25 T26 L31 Y32 E33M25-G29 PolarHBondContact O-N 3.14Å; T26-G29 WeakPolarHBondContact O-CA 3.41Å; T26-G29 PolarHBondContact O-N 3.01Å; G29-L31 PolarHBondContact O-N 3.09Å; G29-L31 VanDerWaalsContact O-N 3.08Å; G29-Y32 PolarHBondContact O-N 2.98Å; G29-Y32 VanDerWaalsContact O-N 3.07Å; G29-E33 PolarHBondContact O-N 3.27Å
30D96.3Very high96.2Very high85 Ų8541.8 Ų41.846%0.45520%0.201SC..Hα-helixtrans-60.2-18.6176.5-63.7-27.3000113.8T26 K34T26-D30 VanDerWaalsContact O-CG 3.25Å; T26-D30 PolarHBondContact O-N 3.35Å; D30-K34 VanDerWaalsContact O-CD 3.25Å; D30-K34 WeakPolarHBondContact O-CD 3.44Å; D30-K34 WeakPolarHBondContact O-CE 3.26Å; D30-K34 PolarHBondContact O-NZ 2.96Å
31L96.4Very high96.1Very high39 Ų3936.9 Ų36.920%0.20418%0.182CC..Hα-helixtrans-93.9-46171.5-69.3168.9000110.9Q27 F28 G29 E33 K34 Q35 R215 Y216Q27-L31 WeakPolarHBondContact O-CG 3.08Å; F28-L31 WeakPolarHBondContact O-CB 3.35Å; F28-L31 PolarHBondContact O-N 3.44Å; F28-L31 VanDerWaalsContact O-N 3.15Å; G29-L31 PolarHBondContact O-N 3.09Å; G29-L31 VanDerWaalsContact O-N 3.08Å; L31-E33 PolarHBondContact O-N 3.11Å; L31-K34 WeakPolarHBondContact O-CB 3.38Å; L31-K34 PolarHBondContact O-N 3.23Å; L31-K34 VanDerWaalsContact O-N 3.1Å; L31-Q35 WeakPolarHBondContact O-CG 3.5Å; L31-Q35 PolarHBondContact O-N 3.01Å; L31-R215 HydrophobicContact CD1-CB 4.34Å; L31-R215 HydrophobicContact CD2-CB 4.41Å; L31-Y216 HydrophobicContact CD1-CD2 4.27Å
32Y97.6Very high95.9Very high0 Ų037.7 Ų37.70%019%0.187CC..Hα-helixtrans-60.6-45-177.1-173.3-97.8000113.1F28 G29 K34 Q35 Y36 A208 F209 S212 Y287 L290 V291 C294F28-Y32 HydrophobicContact CE1-CD2 4.06Å; F28-Y32 HydrophobicContact CE1-CG 4.07Å; F28-Y32 AromaticContact CZ-CD2 3.82Å; F28-Y32 HydrophobicContact CZ-CD2 3.82Å; F28-Y32 HydrophobicContact CZ-CG 4.25Å; F28-Y32 WeakPolarHBondContact O-CB 3.32Å; F28-Y32 PolarHBondContact O-N 3.03Å; G29-Y32 PolarHBondContact O-N 2.98Å; G29-Y32 VanDerWaalsContact O-N 3.07Å; Y32-K34 PolarHBondContact O-N 3.13Å; Y32-Q35 PolarHBondContact O-N 3.05Å; Y32-Y36 HydrophobicContact CE1-CD2 4.13Å; Y32-Y36 WeakPolarHBondContact O-CB 3.49Å; Y32-Y36 PolarHBondContact O-N 2.82Å; Y32-A208 HydrophobicContact CD2-CB 4.4Å; Y32-A208 HydrophobicContact CE2-CB 3.94Å; Y32-F209 HydrophobicContact CE2-CB 3.94Å; Y32-F209 HydrophobicContact CE2-CD2 4.5Å; Y32-S212 VanDerWaalsContact CA-OG 3.23Å; Y32-S212 WeakPolarHBondContact CA-OG 3.34Å; Y32-S212 PolarHBondContact N-OG 3.31Å; Y32-Y287 HydrophobicContact CE2-CE2 4.3Å; Y32-L290 HydrophobicContact CD1-CD1 4.14Å; Y32-L290 HydrophobicContact CD1-CD2 3.75Å; Y32-L290 HydrophobicContact CD1-CG 3.68Å; Y32-L290 HydrophobicContact CE1-CG 4.25Å; Y32-L290 HydrophobicContact CG-CD2 4.01Å; Y32-L290 HydrophobicContact CG-CG 4.44Å; Y32-V291 HydrophobicContact CE1-CG2 4.32Å; Y32-C294 HydrophobicContact CE1-CB 4.39Å
33E96.5Very high95.6Very high101 Ų10134 Ų3447%0.47217%0.174SC..Hα-helixtrans-58.7-32.3176.8-67.7-175.2174.400112.1G29 L31 L290G29-E33 PolarHBondContact O-N 3.27Å; L31-E33 PolarHBondContact O-N 3.11Å; E33-L290 HydrophobicContact CG-CD1 3.93Å
34K95.4Very high95.4Very high107 Ų10730.3 Ų30.347%0.46516%0.155SC..Hα-helixtrans-80.2-47.8178.1-58.9175.3-172.5147.60111.9D30 L31 Y32 Y36 A37 V38 L531D30-K34 VanDerWaalsContact O-CD 3.25Å; D30-K34 WeakPolarHBondContact O-CD 3.44Å; D30-K34 WeakPolarHBondContact O-CE 3.26Å; D30-K34 PolarHBondContact O-NZ 2.96Å; L31-K34 WeakPolarHBondContact O-CB 3.38Å; L31-K34 PolarHBondContact O-N 3.23Å; L31-K34 VanDerWaalsContact O-N 3.1Å; Y32-K34 PolarHBondContact O-N 3.13Å; K34-Y36 VanDerWaalsContact C-N 3.26Å; K34-Y36 PolarHBondContact O-N 3.33Å; K34-A37 PolarHBondContact O-N 3.03Å; K34-V38 PolarHBondContact O-N 3.12Å; K34-V38 VanDerWaalsContact O-N 3.17Å; K34-L531 HydrophobicContact CB-CD1 3.89Å
35Q96.1Very high95.1Very high8 Ų832.4 Ų32.44%0.03716%0.162CC..Hα-helixtrans-66.4-29.4178-61-54.4-77.400111.9L31 Y32 V38 A39 A208 D211 S212 N534L31-Q35 WeakPolarHBondContact O-CG 3.5Å; L31-Q35 PolarHBondContact O-N 3.01Å; Y32-Q35 PolarHBondContact O-N 3.05Å; Q35-V38 PolarHBondContact O-N 3.12Å; Q35-A39 VanDerWaalsContact O-CB 3.28Å; Q35-A39 WeakPolarHBondContact O-CB 3.38Å; Q35-A39 PolarHBondContact O-N 3.01Å; Q35-A208 HydrophobicContact CB-CB 4.43Å; Q35-D211 HydrophobicContact CG-CB 4.28Å; Q35-D211 PolarHBondContact OE1-OD2 2.98Å; Q35-D211 VanDerWaalsContact OE1-OD2 3.11Å; Q35-S212 WeakPolarHBondContact CB-OG 3.33Å; Q35-S212 WeakPolarHBondContact CG-OG 3.46Å; Q35-N534 PolarHBondContact NE2-OD1 3.22Å; Q35-N534 PolarHBondContact OE1-ND2 2.96Å; Q35-N534 PolarHBondContact OE1-OD1 2.91Å
36Y96.4Very high94.7Very high3 Ų335 Ų351%0.01217%0.173CC..Hα-helixtrans-61-42.9172.4-172.7-80.7000111.8Y32 K34 L40 V204 Q205 A208 C294 E295 K298Y32-Y36 HydrophobicContact CE1-CD2 4.13Å; Y32-Y36 WeakPolarHBondContact O-CB 3.49Å; Y32-Y36 PolarHBondContact O-N 2.82Å; K34-Y36 VanDerWaalsContact C-N 3.26Å; K34-Y36 PolarHBondContact O-N 3.33Å; Y36-L40 VanDerWaalsContact O-CB 3.3Å; Y36-L40 WeakPolarHBondContact O-CB 3.28Å; Y36-L40 PolarHBondContact O-N 3.28Å; Y36-V204 HydrophobicContact CD2-CG1 4.15Å; Y36-V204 HydrophobicContact CE1-CG1 4.28Å; Y36-V204 HydrophobicContact CE2-CG1 3.89Å; Y36-V204 HydrophobicContact CG-CG1 4.44Å; Y36-Q205 HydrophobicContact CE2-CG 4.19Å; Y36-A208 HydrophobicContact CD2-CB 4.39Å; Y36-C294 HydrophobicContact CD1-CB 4.04Å; Y36-C294 HydrophobicContact CD2-CB 3.79Å; Y36-C294 HydrophobicContact CE1-CB 4.11Å; Y36-C294 HydrophobicContact CE2-CB 3.85Å; Y36-C294 HydrophobicContact CG-CB 3.9Å; Y36-E295 PolarHBondContact OH-OE1 3.21Å; Y36-K298 HydrophobicContact CE1-CB 4.33Å; Y36-K298 HydrophobicContact CE1-CG 4.49Å; Y36-K298 VanDerWaalsContact OH-CD 3.29Å; Y36-K298 WeakPolarHBondContact OH-CD 3.45Å
37A95.2Very high94.2Very high5 Ų535.8 Ų35.84%0.04117%0.171CC..Hα-helixtrans-67.7-38.2176.300000112.4K34 F41 H528 F529K34-A37 PolarHBondContact O-N 3.03Å; A37-F41 PolarHBondContact O-N 2.89Å; A37-H528 WeakPolarHBondContact CB-O 3.43Å; A37-F529 HydrophobicContact CB-CD1 4.02Å; A37-F529 HydrophobicContact CB-CE1 4.34Å
38V94.8Very high93.7Very high8 Ų835.4 Ų35.45%0.04817%0.172CC..Hα-helixtrans-66.4-45.5173.7-178.90000111.8K34 Q35 L40 F41 N42 L531K34-V38 PolarHBondContact O-N 3.12Å; K34-V38 VanDerWaalsContact O-N 3.17Å; Q35-V38 PolarHBondContact O-N 3.12Å; V38-L40 VanDerWaalsContact C-N 3.31Å; V38-L40 PolarHBondContact O-N 2.93Å; V38-F41 WeakPolarHBondContact O-CB 3.47Å; V38-F41 PolarHBondContact O-N 2.95Å; V38-N42 PolarHBondContact O-N 2.91Å; V38-L531 HydrophobicContact CG2-CD1 3.57Å; V38-L531 HydrophobicContact CG2-CG 3.87Å
39A94.6Very high93.1Very high9 Ų940.8 Ų40.87%0.07420%0.197CC..Hα-helixtrans-62.6-38.8177.400000111.6Q35 N42 F43 V204 P207 A208Q35-A39 VanDerWaalsContact O-CB 3.28Å; Q35-A39 WeakPolarHBondContact O-CB 3.38Å; Q35-A39 PolarHBondContact O-N 3.01Å; A39-N42 PolarHBondContact O-N 3.07Å; A39-F43 WeakPolarHBondContact O-CB 3.47Å; A39-F43 PolarHBondContact O-N 2.81Å; A39-V204 HydrophobicContact CB-CG1 4.11Å; A39-P207 HydrophobicContact CB-CG 4.24Å; A39-A208 HydrophobicContact CB-CB 4.07Å
40L94.6Very high92.1Very high1 Ų143.1 Ų43.11%0.00522%0.221CC..Hα-helixtrans-66.8-40.1173.7-171.367.5000112.1Y36 V38 F43 V44 V204 K298 L301 L305Y36-L40 VanDerWaalsContact O-CB 3.3Å; Y36-L40 WeakPolarHBondContact O-CB 3.28Å; Y36-L40 PolarHBondContact O-N 3.28Å; V38-L40 VanDerWaalsContact C-N 3.31Å; V38-L40 PolarHBondContact O-N 2.93Å; L40-F43 HydrophobicContact CD1-CD1 4.49Å; L40-F43 PolarHBondContact O-N 3.46Å; L40-V44 HydrophobicContact CD1-CG2 4.19Å; L40-V44 HydrophobicContact CG-CG2 4.31Å; L40-V44 WeakPolarHBondContact O-CB 3.5Å; L40-V44 VanDerWaalsContact O-CG2 3.25Å; L40-V44 WeakPolarHBondContact O-CG2 3.39Å; L40-V44 PolarHBondContact O-N 3.31Å; L40-V204 HydrophobicContact CB-CG1 4.1Å; L40-V204 HydrophobicContact CD1-CG1 4.4Å; L40-V204 HydrophobicContact CD1-CG2 3.98Å; L40-K298 HydrophobicContact CD1-CG 4.07Å; L40-K298 HydrophobicContact CD2-CG 4.06Å; L40-L301 HydrophobicContact CD2-CB 3.63Å; L40-L301 HydrophobicContact CD2-CD1 4.36Å; L40-L305 HydrophobicContact CB-CD1 4.17Å; L40-L305 HydrophobicContact CD2-CD1 3.85Å; L40-L305 HydrophobicContact CG-CD1 3.64Å
41F94Very high90.5Very high1 Ų140.4 Ų40.40%0.00421%0.213CC..Hα-helixtrans-57.4-50.3172163.1-100.6000111.2A37 V38 F43 V44 R45 L305 M309 L312 V313 K316 F529A37-F41 PolarHBondContact O-N 2.89Å; V38-F41 WeakPolarHBondContact O-CB 3.47Å; V38-F41 PolarHBondContact O-N 2.95Å; F41-F43 PolarHBondContact O-N 3.14Å; F41-V44 PolarHBondContact O-N 2.64Å; F41-R45 VanDerWaalsContact O-CB 3.22Å; F41-R45 WeakPolarHBondContact O-CB 3.37Å; F41-R45 PolarHBondContact O-N 3.38Å; F41-L305 HydrophobicContact CB-CD2 3.76Å; F41-L305 HydrophobicContact CD2-CD2 3.85Å; F41-L305 HydrophobicContact CG-CD2 4.3Å; F41-M309 HydrophobicContact CD2-CE 4.29Å; F41-M309 HydrophobicContact CD2-SD 4.15Å; F41-M309 HydrophobicContact CE2-CE 4.37Å; F41-M309 HydrophobicContact CE2-SD 3.65Å; F41-L312 HydrophobicContact CD2-CB 4.36Å; F41-L312 HydrophobicContact CD2-CD1 4.16Å; F41-L312 HydrophobicContact CE2-CB 3.79Å; F41-L312 HydrophobicContact CE2-CD1 4.39Å; F41-V313 HydrophobicContact CE2-CG2 4.48Å; F41-V313 HydrophobicContact CZ-CG2 4.33Å; F41-K316 HydrophobicContact CE1-CD 3.92Å; F41-K316 HydrophobicContact CZ-CD 4.22Å; F41-F529 HydrophobicContact CB-CB 4.31Å; F41-F529 HydrophobicContact CB-CD1 4.48Å
42N91.4Very high88.5Confident18 Ų1841.7 Ų41.710%0.09624%0.236CC..Hα-helixtrans-62.3-42.9180-76.3-11.4000112.4V38 A39 F46 E852V38-N42 PolarHBondContact O-N 2.91Å; A39-N42 PolarHBondContact O-N 3.07Å; N42-F46 WeakPolarHBondContact O-CB 3.25Å; N42-F46 PolarHBondContact O-N 3.1Å; N42-E852 PolarHBondContact ND2-OE2 3.05Å
43F91.2Very high86.6Confident52 Ų5244.9 Ų44.923%0.22827%0.268CS..Hα-helixtrans-63.9-50.3176.4173.5-104.9000112.4A39 L40 F41 R45 F46 E47 T203 V204A39-F43 WeakPolarHBondContact O-CB 3.47Å; A39-F43 PolarHBondContact O-N 2.81Å; L40-F43 HydrophobicContact CD1-CD1 4.49Å; L40-F43 PolarHBondContact O-N 3.46Å; F41-F43 PolarHBondContact O-N 3.14Å; F43-R45 VanDerWaalsContact C-N 3.28Å; F43-R45 PolarHBondContact O-N 3.4Å; F43-F46 WeakPolarHBondContact O-CB 3.28Å; F43-F46 PolarHBondContact O-N 3.05Å; F43-F46 VanDerWaalsContact O-N 3.16Å; F43-E47 HydrophobicContact CE1-CG 4.2Å; F43-E47 WeakPolarHBondContact CE1-OE1 3.47Å; F43-E47 HydrophobicContact CE2-CG 4.29Å; F43-E47 HydrophobicContact CZ-CG 3.98Å; F43-E47 WeakPolarHBondContact CZ-OE1 3.36Å; F43-E47 PolarHBondContact O-N 3.48Å; F43-T203 HydrophobicContact CD2-CG2 4.15Å; F43-T203 WeakPolarHBondContact CD2-OG1 3.39Å; F43-T203 HydrophobicContact CE2-CG2 4.05Å; F43-T203 WeakPolarHBondContact CE2-OG1 3.36Å; F43-V204 HydrophobicContact CB-CG2 3.72Å; F43-V204 HydrophobicContact CD1-CG2 3.89Å; F43-V204 HydrophobicContact CG-CG2 3.79Å
44V91.7Very high85.1Confident0 Ų044.4 Ų44.40%028%0.282CS..Hα-helixtrans-64.8-34.1179173.30000111.3L40 F41 I48 D302 L305 R306 M309L40-V44 HydrophobicContact CD1-CG2 4.19Å; L40-V44 HydrophobicContact CG-CG2 4.31Å; L40-V44 WeakPolarHBondContact O-CB 3.5Å; L40-V44 VanDerWaalsContact O-CG2 3.25Å; L40-V44 WeakPolarHBondContact O-CG2 3.39Å; L40-V44 PolarHBondContact O-N 3.31Å; F41-V44 PolarHBondContact O-N 2.64Å; V44-I48 HydrophobicContact CG1-CD1 3.92Å; V44-I48 WeakPolarHBondContact O-CD1 3.34Å; V44-I48 VanDerWaalsContact O-CG1 3.26Å; V44-I48 WeakPolarHBondContact O-CG1 3.33Å; V44-I48 PolarHBondContact O-N 2.85Å; V44-D302 WeakPolarHBondContact CG2-OD1 3.48Å; V44-L305 HydrophobicContact CB-CD1 4.47Å; V44-L305 HydrophobicContact CG1-CB 4.21Å; V44-L305 HydrophobicContact CG2-CD1 4.22Å; V44-R306 HydrophobicContact CG1-CG 3.61Å; V44-M309 HydrophobicContact CB-CE 4.35Å; V44-M309 HydrophobicContact CG1-CE 3.87Å
45R89.7Confident83.9Confident53 Ų5345.6 Ų45.620%0.229%0.289CS..Hα-helixtrans-61.7-49.6171.1177.4-179.6176.8147.717.5111.2F41 F43 E47 I48 E49 M309F41-R45 VanDerWaalsContact O-CB 3.22Å; F41-R45 WeakPolarHBondContact O-CB 3.37Å; F41-R45 PolarHBondContact O-N 3.38Å; F43-R45 VanDerWaalsContact C-N 3.28Å; F43-R45 PolarHBondContact O-N 3.4Å; R45-E47 VanDerWaalsContact C-N 3.35Å; R45-E47 PolarHBondContact O-N 3Å; R45-I48 PolarHBondContact O-N 3.34Å; R45-I48 VanDerWaalsContact O-N 3.09Å; R45-E49 HydrophobicContact CG-CG 4.23Å; R45-E49 VanDerWaalsContact CG-OE2 3.26Å; R45-E49 WeakPolarHBondContact CG-OE2 3.35Å; R45-E49 IonicContact CZ-OE1 2.67Å; R45-E49 VanDerWaalsContact CZ-OE1 3.25Å; R45-E49 IonicContact CZ-OE2 3.79Å; R45-E49 IonicContact NE-OE1 2.7Å; R45-E49 PolarHBondContact NE-OE1 3.41Å; R45-E49 IonicContact NE-OE2 2.81Å; R45-E49 PolarHBondContact NE-OE2 3.43Å; R45-E49 IonicContact NH2-OE1 3.21Å; R45-E49 PolarHBondContact NH2-OE1 3.49Å; R45-E49 IonicContact NH2-OE2 3.12Å; R45-E49 PolarHBondContact O-N 3.03Å; R45-M309 HydrophobicContact CB-CE 4.12Å; R45-M309 HydrophobicContact CB-SD 4.16Å
46F87.3Confident83.3Confident65 Ų6546.8 Ų46.829%0.28530%0.298SS..Hα-helixtrans-60.7-40.1-180-174.8-94.9000112.9N42 F43 I48 G50 G51 V849N42-F46 WeakPolarHBondContact O-CB 3.25Å; N42-F46 PolarHBondContact O-N 3.1Å; F43-F46 WeakPolarHBondContact O-CB 3.28Å; F43-F46 PolarHBondContact O-N 3.05Å; F43-F46 VanDerWaalsContact O-N 3.16Å; F46-I48 VanDerWaalsContact C-N 3.34Å; F46-I48 PolarHBondContact O-N 3.21Å; F46-G50 PolarHBondContact O-N 3.26Å; F46-G50 VanDerWaalsContact O-N 3.14Å; F46-G51 WeakPolarHBondContact CE1-O 3.49Å; F46-G51 VanDerWaalsContact CZ-O 3.23Å; F46-G51 WeakPolarHBondContact CZ-O 3.49Å; F46-G51 PolarHBondContact O-N 2.83Å; F46-G51 VanDerWaalsContact O-N 3.12Å; F46-V849 HydrophobicContact CB-CG1 4.15Å; F46-V849 HydrophobicContact CB-CG2 4.3Å; F46-V849 HydrophobicContact CD2-CB 3.98Å; F46-V849 HydrophobicContact CD2-CG1 4.04Å; F46-V849 HydrophobicContact CD2-CG2 4.15Å; F46-V849 HydrophobicContact CG-CG1 4.26Å
47E87.3Confident82.9Confident90 Ų9047.8 Ų47.842%0.42130%0.303SS..Hα-helixtrans-59.6-41.4171.9-72.5-172.2149.900112.7F43 R45 R306F43-E47 HydrophobicContact CE1-CG 4.2Å; F43-E47 WeakPolarHBondContact CE1-OE1 3.47Å; F43-E47 HydrophobicContact CE2-CG 4.29Å; F43-E47 HydrophobicContact CZ-CG 3.98Å; F43-E47 WeakPolarHBondContact CZ-OE1 3.36Å; F43-E47 PolarHBondContact O-N 3.48Å; R45-E47 VanDerWaalsContact C-N 3.35Å; R45-E47 PolarHBondContact O-N 3Å; E47-R306 IonicContact OE2-CZ 2.64Å; E47-R306 IonicContact OE2-NH1 3.02Å; E47-R306 PolarHBondContact OE2-NH1 3.49Å; E47-R306 IonicContact OE2-NH2 2.75Å; E47-R306 PolarHBondContact OE2-NH2 3.17Å
48I86.6Confident82.7Confident90 Ų9047.7 Ų47.746%0.46230%0.302SS..Hα-helixtrans-76.2-40-177.1-70.3169.1000111.7V44 R45 F46 G50 R306 M309V44-I48 HydrophobicContact CG1-CD1 3.92Å; V44-I48 WeakPolarHBondContact O-CD1 3.34Å; V44-I48 VanDerWaalsContact O-CG1 3.26Å; V44-I48 WeakPolarHBondContact O-CG1 3.33Å; V44-I48 PolarHBondContact O-N 2.85Å; R45-I48 PolarHBondContact O-N 3.34Å; R45-I48 VanDerWaalsContact O-N 3.09Å; F46-I48 VanDerWaalsContact C-N 3.34Å; F46-I48 PolarHBondContact O-N 3.21Å; I48-G50 PolarHBondContact O-N 2.72Å; I48-R306 HydrophobicContact CD1-CG 4.32Å; I48-M309 HydrophobicContact CD1-CE 4.17Å; I48-M309 HydrophobicContact CD1-CG 4.46Å
49E85.2Confident82.5Confident112 Ų11247.5 Ų47.552%0.52330%0.301SS..Hα-helixtrans-73.3-10176.9-68.9-179.1147.400112.4R45R45-E49 HydrophobicContact CG-CG 4.23Å; R45-E49 VanDerWaalsContact CG-OE2 3.26Å; R45-E49 WeakPolarHBondContact CG-OE2 3.35Å; R45-E49 IonicContact CZ-OE1 2.67Å; R45-E49 VanDerWaalsContact CZ-OE1 3.25Å; R45-E49 IonicContact CZ-OE2 3.79Å; R45-E49 IonicContact NE-OE1 2.7Å; R45-E49 PolarHBondContact NE-OE1 3.41Å; R45-E49 IonicContact NE-OE2 2.81Å; R45-E49 PolarHBondContact NE-OE2 3.43Å; R45-E49 IonicContact NH2-OE1 3.21Å; R45-E49 PolarHBondContact NH2-OE1 3.49Å; R45-E49 IonicContact NH2-OE2 3.12Å; R45-E49 PolarHBondContact O-N 3.03Å
50G76Confident82.2Confident59 Ų5950.6 Ų50.661%0.60831%0.313SS*.THydrogen-bonded Turntrans72.235.9175.700000113F46 I48 G52F46-G50 PolarHBondContact O-N 3.26Å; F46-G50 VanDerWaalsContact O-N 3.14Å; I48-G50 PolarHBondContact O-N 2.72Å; G50-G52 PolarHBondContact O-N 3.1Å; G50-G52 VanDerWaalsContact O-N 3.13Å
51G62.1Low81.9Confident27 Ų2751.8 Ų51.828%0.27832%0.318SS..  trans-54.5113.8-174.100000113F46F46-G51 WeakPolarHBondContact CE1-O 3.49Å; F46-G51 VanDerWaalsContact CZ-O 3.23Å; F46-G51 WeakPolarHBondContact CZ-O 3.49Å; F46-G51 PolarHBondContact O-N 2.83Å; F46-G51 VanDerWaalsContact O-N 3.12Å
52G54.4Low81.1Confident67 Ų6759 Ų5969%0.69135%0.349SS*.  trans-124.7103.4-176.600000111.4G50G50-G52 PolarHBondContact O-N 3.1Å; G50-G52 VanDerWaalsContact O-N 3.13Å
53G58.8Low80.5Confident66 Ų6662.6 Ų62.668%0.6837%0.368SS*.PPolyproline II helixtrans-63.7160.217300000112.7Q55G53-Q55 PolarHBondContact O-N 3.42Å
54A64.6Low79.9Confident92 Ų9261.9 Ų61.976%0.7637%0.369SS*.PPolyproline II helixtrans-62.9127.7176.500000110.9S56A54-S56 PolarHBondContact O-N 3.49Å
55Q69.9Low79.2Confident131 Ų13162.6 Ų62.661%0.61237%0.373SS*.PPolyproline II helixtrans-67.7126.9-174.2-167.9176.718.300112.1G53G53-Q55 PolarHBondContact O-N 3.42Å
56S83.8Confident78.6Confident34 Ų3462.5 Ų62.524%0.23838%0.383CS..PPolyproline II helixtrans-54.6148.4172.5-165.60000111.9A54 L58 H60 D482A54-S56 PolarHBondContact O-N 3.49Å; S56-L58 PolarHBondContact OG-O 2.98Å; S56-H60 WeakPolarHBondContact CB-CE1 3.43Å; S56-H60 PolarHBondContact OG-NE2 2.79Å; S56-D482 PolarHBondContact OG-OD2 3.2Å
57Q87.8Confident77.9Confident23 Ų2363.6 Ų63.611%0.10741%0.413CS..SBendtrans-89.6-32.8176.8-70.3-59.7-50.200113K478 Y481 D482 L570Q57-K478 HydrophobicContact CB-CB 3.83Å; Q57-K478 HydrophobicContact CB-CD 4.42Å; Q57-K478 HydrophobicContact CB-CG 3.9Å; Q57-K478 WeakPolarHBondContact O-CD 3.4Å; Q57-K478 WeakPolarHBondContact O-CE 3.46Å; Q57-K478 PolarHBondContact O-NZ 2.89Å; Q57-Y481 HydrophobicContact CB-CD1 4.32Å; Q57-Y481 HydrophobicContact CG-CD1 3.48Å; Q57-Y481 VanDerWaalsContact CG-CD1 3.48Å; Q57-Y481 HydrophobicContact CG-CE1 3.83Å; Q57-Y481 HydrophobicContact CG-CG 4.2Å; Q57-D482 WeakPolarHBondContact CA-OD2 3.26Å; Q57-D482 WeakPolarHBondContact CB-OD2 3.36Å; Q57-D482 VanDerWaalsContact N-CG 3.32Å; Q57-D482 PolarHBondContact N-OD1 2.84Å; Q57-D482 PolarHBondContact N-OD2 3.49Å; Q57-L570 HydrophobicContact CG-CD1 4.38Å
58L91.2Very high77.6Confident4 Ų462 Ų622%0.02141%0.406CS..SBendtrans-81159.3169.9-61.8174.3000110.8S56 N443 A444 T447 V475 K478 Y479 D482S56-L58 PolarHBondContact OG-O 2.98Å; L58-N443 HydrophobicContact CB-CB 3.85Å; L58-N443 HydrophobicContact CD1-CB 3.88Å; L58-A444 HydrophobicContact CD1-CB 4.31Å; L58-T447 WeakPolarHBondContact CA-OG1 3.46Å; L58-T447 HydrophobicContact CD2-CG2 3.99Å; L58-T447 WeakPolarHBondContact CD2-OG1 3.36Å; L58-V475 HydrophobicContact CD2-CG1 4.12Å; L58-K478 HydrophobicContact CD2-CB 3.64Å; L58-K478 HydrophobicContact CG-CB 4.14Å; L58-Y479 HydrophobicContact CD1-CD2 4.34Å; L58-D482 WeakPolarHBondContact CG-OD2 3.35Å; L58-D482 PolarHBondContact N-OD2 3.36Å
59L90.7Very high77.5Confident4 Ų460.8 Ų60.82%0.02140%0.402CS..PPolyproline II helixtrans-86.9143.4171.9-63.9174.1000110.3N443 F446 T447 Q450 L577 L580 E581L59-N443 WeakPolarHBondContact O-CA 3.36Å; L59-F446 HydrophobicContact CB-CD1 3.67Å; L59-F446 HydrophobicContact CB-CE1 3.82Å; L59-T447 PolarHBondContact N-OG1 2.99Å; L59-Q450 HydrophobicContact CD1-CB 3.96Å; L59-Q450 HydrophobicContact CD1-CG 3.9Å; L59-L577 HydrophobicContact CD1-CD1 3.94Å; L59-L577 HydrophobicContact CD1-CG 4.4Å; L59-L577 HydrophobicContact CD2-CD1 4.46Å; L59-L577 HydrophobicContact CD2-CG 4.04Å; L59-L577 WeakPolarHBondContact CD2-O 3.48Å; L59-L577 HydrophobicContact CG-CD1 4.23Å; L59-L577 HydrophobicContact CG-CG 4.17Å; L59-L580 HydrophobicContact CD1-CB 3.63Å; L59-L580 HydrophobicContact CD1-CD1 4.25Å; L59-L580 HydrophobicContact CD2-CB 4.4Å; L59-E581 HydrophobicContact CD2-CB 4.08Å
60H89Confident77.7Confident73 Ų7356.3 Ų56.334%0.33838%0.382SS..PPolyproline II helixtrans-98.8137.4173.3-45.9100.8000110.9S56 N443 F446 E581S56-H60 WeakPolarHBondContact CB-CE1 3.43Å; S56-H60 PolarHBondContact OG-NE2 2.79Å; H60-N443 PolarHBondContact CD2-ND2 3.35Å; H60-N443 PolarHBondContact CD2-OD1 2.83Å; H60-F446 VanDerWaalsContact O-CE1 3.31Å; H60-F446 WeakPolarHBondContact O-CE1 3.09Å; H60-E581 IonicContact CE1-OE1 2.75Å; H60-E581 IonicContact CG-OE1 2.75Å; H60-E581 IonicContact ND1-OE1 2.71Å; H60-E581 PolarHBondContact ND1-OE1 2.77Å
61R86.8Confident78.4Confident26 Ų2655 Ų5510%0.09836%0.359CS..PPolyproline II helixtrans-92.7120.5178.3-170.7-172.5-83.5171.3-21109.3D63 P64 S393 D442 F446 E449R61-D63 PolarHBondContact O-N 3.32Å; R61-P64 HydrophobicContact CB-CG 4.29Å; R61-P64 HydrophobicContact CG-CG 4.47Å; R61-S393 PolarHBondContact NH1-O 3.14Å; R61-D442 WeakPolarHBondContact CB-OD2 3.38Å; R61-D442 IonicContact CZ-OD1 2.74Å; R61-D442 IonicContact NH1-OD1 2.7Å; R61-D442 PolarHBondContact NH1-OD1 2.98Å; R61-F446 HydrophobicContact CB-CB 4.22Å; R61-F446 HydrophobicContact CB-CD1 3.82Å; R61-F446 HydrophobicContact CB-CD2 4.39Å; R61-F446 HydrophobicContact CB-CE1 4.26Å; R61-F446 HydrophobicContact CB-CG 3.89Å; R61-F446 HydrophobicContact CG-CD2 4.28Å; R61-F446 HydrophobicContact CG-CG 4.28Å; R61-E449 IonicContact CZ-OE2 3.35Å; R61-E449 IonicContact NH2-OE1 3.76Å; R61-E449 PolarHBondContact NH2-OE1 3.34Å; R61-E449 IonicContact NH2-OE2 3.04Å; R61-E449 PolarHBondContact NH2-OE2 3.25Å
62K78.8Confident79.9Confident152 Ų15256.4 Ų56.466%0.66137%0.365SS*.SBendtrans-68.1-32.6-170.2-64.4-175.1-177.6179.70114.8E581 E582K62-E581 WeakPolarHBondContact CE-O 3.2Å; K62-E582 IonicContact NZ-OE1 3.12Å; K62-E582 PolarHBondContact NZ-OE1 3.1Å
63D78.7Confident81.8Confident94 Ų9454.2 Ų54.250%0.50334%0.342SS..  trans-137.297.1167.5-178.7-7000108.6R61 L65 A66R61-D63 PolarHBondContact O-N 3.32Å; D63-L65 PolarHBondContact O-N 3.13Å; D63-L65 PolarHBondContact OD1-N 3.26Å; D63-A66 HydrophobicContact CB-CB 4.28Å; D63-A66 PolarHBondContact OD1-N 2.92Å
64P77.8Confident83.5Confident37 Ų3754.3 Ų54.324%0.2433%0.332CS..THydrogen-bonded Turntrans-70.2-9.7-178.9-22.334.8000115.7R61 F397 D442R61-P64 HydrophobicContact CB-CG 4.29Å; R61-P64 HydrophobicContact CG-CG 4.47Å; P64-F397 HydrophobicContact CB-CE2 3.63Å; P64-F397 HydrophobicContact CB-CZ 3.43Å; P64-F397 VanDerWaalsContact CB-CZ 3.43Å; P64-F397 HydrophobicContact CG-CZ 4.31Å; P64-D442 WeakPolarHBondContact CG-OD2 3.24Å
65L77.4Confident84.9Confident15 Ų1550.1 Ų50.18%0.07930%0.297CS..THydrogen-bonded Turntrans-128.616.6-170.5-59.3172.6000112.8D63 G67 H68 I70 N94 Y96 M394 F397D63-L65 PolarHBondContact O-N 3.13Å; D63-L65 PolarHBondContact OD1-N 3.26Å; L65-G67 PolarHBondContact O-N 3.19Å; L65-H68 PolarHBondContact O-N 2.74Å; L65-I70 HydrophobicContact CD1-CD1 4.17Å; L65-I70 HydrophobicContact CD2-CD1 3.6Å; L65-I70 HydrophobicContact CG-CD1 4.48Å; L65-N94 HydrophobicContact CB-CB 3.59Å; L65-N94 HydrophobicContact CD1-CB 4.37Å; L65-N94 WeakPolarHBondContact O-CB 3.49Å; L65-N94 PolarHBondContact O-ND2 3Å; L65-N94 VanDerWaalsContact O-ND2 3.07Å; L65-Y96 HydrophobicContact CD1-CE2 3.88Å; L65-M394 HydrophobicContact CD2-CE 4.03Å; L65-M394 HydrophobicContact CD2-SD 4.25Å; L65-F397 HydrophobicContact CD1-CE1 4.4Å; L65-F397 HydrophobicContact CD2-CB 4.35Å; L65-F397 HydrophobicContact CD2-CD1 3.9Å; L65-F397 HydrophobicContact CD2-CD2 3.63Å; L65-F397 HydrophobicContact CD2-CE1 4.13Å; L65-F397 HydrophobicContact CD2-CE2 3.88Å; L65-F397 HydrophobicContact CD2-CG 3.65Å; L65-F397 HydrophobicContact CD2-CZ 4.14Å; L65-F397 HydrophobicContact CG-CE1 4.38Å; L65-F397 HydrophobicContact CG-CE2 4.49Å; L65-F397 HydrophobicContact CG-CZ 4.37Å
66A76.4Confident86.1Confident51 Ų5147.8 Ų47.842%0.42129%0.285SS..THydrogen-bonded Turntrans-55.3123.4171.700000110.4D63 H68D63-A66 HydrophobicContact CB-CB 4.28Å; D63-A66 PolarHBondContact OD1-N 2.92Å; A66-H68 PolarHBondContact O-N 3.36Å; A66-H68 PolarHBondContact O-ND1 2.98Å
67G72.3Confident86.6Confident88 Ų8846.4 Ų46.491%0.90728%0.275SS*.THydrogen-bonded Turntrans71.1-8.5179.400000116.4L65L65-G67 PolarHBondContact O-N 3.19Å
68H80.6Confident86.8Confident58 Ų5846.9 Ų46.927%0.26928%0.276SS..  trans-92.8149.5-169.3-78.181.7000114.3L65 A66 E390 M394L65-H68 PolarHBondContact O-N 2.74Å; A66-H68 PolarHBondContact O-N 3.36Å; A66-H68 PolarHBondContact O-ND1 2.98Å; H68-E390 IonicContact NE2-OE1 2.94Å; H68-M394 HydrophobicContact CB-CE 3.94Å; H68-M394 HydrophobicContact CB-SD 3.9Å; H68-M394 VanDerWaalsContact CD2-CG 3.44Å; H68-M394 WeakPolarHBondContact CD2-CG 3.48Å; H68-M394 PolarHBondContact CD2-SD 3.3Å
69T85.6Confident86.7Confident64 Ų6447.5 Ų47.539%0.39328%0.279SS..EExtended strand (participates in β ladder)trans-107134.9169.5-66.10000108.9F91T69-F91 HydrophobicContact CG2-CD2 4.13Å; T69-F91 HydrophobicContact CG2-CE2 3.45Å; T69-F91 VanDerWaalsContact CG2-CE2 3.45Å; T69-F91 HydrophobicContact CG2-CZ 3.9Å
70I88.6Confident86.3Confident17 Ų1748.3 Ų48.39%0.08728%0.283CS..EExtended strand (participates in β ladder)trans-76.4-51.3-178.5-53.5-56.3000110.8L65 I92 P93 Y96 M394L65-I70 HydrophobicContact CD1-CD1 4.17Å; L65-I70 HydrophobicContact CD2-CD1 3.6Å; L65-I70 HydrophobicContact CG-CD1 4.48Å; I70-I92 HydrophobicContact CB-CG2 4.03Å; I70-I92 HydrophobicContact CG1-CG2 4.43Å; I70-I92 HydrophobicContact CG2-CG2 4.44Å; I70-I92 PolarHBondContact N-O 2.88Å; I70-P93 WeakPolarHBondContact CG1-O 3.45Å; I70-Y96 HydrophobicContact CB-CE1 4.43Å; I70-Y96 HydrophobicContact CD1-CD2 4.39Å; I70-Y96 HydrophobicContact CD1-CE1 4.45Å; I70-Y96 HydrophobicContact CD1-CE2 3.61Å; I70-Y96 HydrophobicContact CG1-CD1 4.4Å; I70-Y96 HydrophobicContact CG1-CD2 4.09Å; I70-Y96 HydrophobicContact CG1-CE1 4.1Å; I70-Y96 HydrophobicContact CG1-CE2 3.74Å; I70-Y96 HydrophobicContact CG1-CG 4.43Å; I70-Y96 HydrophobicContact CG2-CD1 4.28Å; I70-Y96 HydrophobicContact CG2-CE1 3.62Å; I70-M394 HydrophobicContact CD1-CE 4.3Å
71F91.7Very high85.9Confident33 Ų3351.5 Ų51.515%0.14530%0.298CS..EExtended strand (participates in β ladder)trans-161.3153.6-176.8-161.6-109.9000112.9I92 K182 W183 V186F71-I92 HydrophobicContact CB-CD1 4.33Å; F71-I92 PolarHBondContact N-O 2.86Å; F71-I92 PolarHBondContact O-N 2.91Å; F71-K182 HydrophobicContact CZ-CD 4.22Å; F71-K182 HydrophobicContact CZ-CG 4.4Å; F71-W183 HydrophobicContact CD1-CE3 4.21Å; F71-W183 AromaticContact CD1-CH2 3.71Å; F71-W183 HydrophobicContact CD1-CH2 3.71Å; F71-W183 HydrophobicContact CD1-CZ2 4.3Å; F71-W183 AromaticContact CD1-CZ3 3.67Å; F71-W183 HydrophobicContact CD1-CZ3 3.67Å; F71-W183 HydrophobicContact CE1-CD2 4.11Å; F71-W183 AromaticContact CE1-CE2 3.92Å; F71-W183 HydrophobicContact CE1-CE3 4.03Å; F71-W183 AromaticContact CE1-CH2 3.58Å; F71-W183 HydrophobicContact CE1-CH2 3.58Å; F71-W183 AromaticContact CE1-CZ2 3.69Å; F71-W183 HydrophobicContact CE1-CZ2 3.69Å; F71-W183 AromaticContact CE1-CZ3 3.77Å; F71-W183 HydrophobicContact CE1-CZ3 3.77Å; F71-V186 HydrophobicContact CB-CG1 4.28Å; F71-V186 HydrophobicContact CB-CG2 4.36Å; F71-V186 HydrophobicContact CD1-CB 4.48Å; F71-V186 HydrophobicContact CD1-CG1 3.96Å; F71-V186 HydrophobicContact CD1-CG2 3.76Å; F71-V186 HydrophobicContact CD2-CG2 4.22Å; F71-V186 HydrophobicContact CE1-CG2 4.09Å; F71-V186 HydrophobicContact CG-CG1 4.31Å; F71-V186 HydrophobicContact CG-CG2 3.84Å; F71-V186 HydrophobicContact CZ-CG2 4.48Å
72S93.3Very high85.7Confident56 Ų5653.8 Ų53.839%0.39231%0.312SS..EExtended strand (participates in β ladder)trans-149161164.876.10000112.1V90S72-V90 CarbonylContact C-O 3.53Å; S72-V90 WeakPolarHBondContact CA-O 3.33Å; S72-V90 WeakPolarHBondContact CB-O 3.31Å
73G93.9Very high86Confident20 Ų2054.3 Ų54.321%0.20631%0.31CS..EExtended strand (participates in β ladder)trans169.6-167.1177.800000113F89 V90G73-F89 VanDerWaalsContact O-CD2 3.25Å; G73-F89 WeakPolarHBondContact O-CD2 3.32Å; G73-V90 PolarHBondContact N-O 3.09Å; G73-V90 PolarHBondContact O-N 2.63Å
74S94.2Very high86.5Confident68 Ų6855.2 Ų55.248%0.47631%0.309SS..EExtended strand (participates in β ladder)trans-106.8139.5177.5-70.70000112.3N87 R88S74-N87 WeakPolarHBondContact CB-OD1 3.09Å; S74-R88 WeakPolarHBondContact CA-O 3.2Å
75L94.7Very high87.2Confident4 Ų455.5 Ų55.52%0.02131%0.305CS..EExtended strand (participates in β ladder)trans-134139.5169.8-76.5-176.8000111.2Q77 N87 R88 V90 F172 V174 W183L75-Q77 PolarHBondContact O-N 2.95Å; L75-N87 PolarHBondContact O-OD1 3.44Å; L75-R88 PolarHBondContact N-O 2.86Å; L75-R88 PolarHBondContact O-N 2.71Å; L75-V90 HydrophobicContact CB-CG2 4.09Å; L75-V90 HydrophobicContact CD1-CG2 4.21Å; L75-V90 HydrophobicContact CG-CG2 4.29Å; L75-F172 HydrophobicContact CB-CD1 4.22Å; L75-F172 HydrophobicContact CD1-CB 4.15Å; L75-F172 HydrophobicContact CD1-CD1 4.08Å; L75-F172 HydrophobicContact CD1-CD2 4.43Å; L75-F172 HydrophobicContact CD1-CG 3.97Å; L75-V174 HydrophobicContact CD2-CG1 3.38Å; L75-W183 HydrophobicContact CD1-CD2 4Å; L75-W183 HydrophobicContact CD1-CE3 3.93Å; L75-W183 HydrophobicContact CD1-CH2 4.38Å; L75-W183 HydrophobicContact CD1-CZ2 4.41Å; L75-W183 HydrophobicContact CD1-CZ3 4.13Å; L75-W183 HydrophobicContact CD2-CD2 3.8Å; L75-W183 HydrophobicContact CD2-CG 3.81Å; L75-W183 HydrophobicContact CD2-CZ2 4.25Å; L75-W183 HydrophobicContact CG-CD2 3.97Å; L75-W183 HydrophobicContact CG-CE3 4.31Å; L75-W183 HydrophobicContact CG-CG 4.49Å; L75-W183 HydrophobicContact CG-CH2 4.24Å; L75-W183 HydrophobicContact CG-CZ2 3.84Å; L75-W183 HydrophobicContact CG-CZ3 4.44Å
76F94.4Very high88Confident82 Ų8260.4 Ų60.436%0.3632%0.323SS..EExtended strand (participates in β ladder)trans-78.2113165.8-65.3-77.7000109.5W85 R86 N87 F172 C173 V175F76-W85 HydrophobicContact CB-CE3 4.24Å; F76-W85 WeakPolarHBondContact O-CZ3 3.36Å; F76-R86 CarbonylContact C-O 3.56Å; F76-R86 WeakPolarHBondContact CA-O 3.43Å; F76-N87 HydrophobicContact CD1-CB 4.12Å; F76-N87 HydrophobicContact CE1-CB 4.04Å; F76-F172 CarbonylContact O-C 3.57Å; F76-F172 WeakPolarHBondContact O-CA 3.43Å; F76-C173 VanDerWaalsContact CB-SG 3.57Å; F76-C173 PolarHBondContact N-O 3.2Å; F76-C173 PolarHBondContact O-N 3.05Å; F76-V175 HydrophobicContact CE2-CG2 4.1Å
77Q94.9Very high88.8Confident5 Ų561.6 Ų61.62%0.02332%0.322CS..EExtended strand (participates in β ladder)trans-95.6139.2175.9-178.7178.95500111.1L75 L79 W85 R86 R88 F172L75-Q77 PolarHBondContact O-N 2.95Å; Q77-L79 HydrophobicContact CG-CD2 4.23Å; Q77-W85 VanDerWaalsContact C-CE3 3.46Å; Q77-W85 CarbonylContact O-C 3.49Å; Q77-W85 WeakPolarHBondContact O-CA 3.36Å; Q77-R86 PolarHBondContact N-O 3.33Å; Q77-R86 PolarHBondContact O-N 3.32Å; Q77-R88 HydrophobicContact CB-CG 3.85Å; Q77-F172 HydrophobicContact CB-CD1 3.93Å; Q77-F172 HydrophobicContact CB-CE1 3.98Å; Q77-F172 HydrophobicContact CG-CD1 4.17Å; Q77-F172 HydrophobicContact CG-CE1 3.85Å
78Y92.7Very high89.9Confident33 Ų3358.7 Ų58.713%0.12928%0.284CS..EExtended strand (participates in β ladder)trans-81.9115.6168-176-110.7000110.9R83 W85 I152 Y171Y78-R83 HydrophobicContact CE2-CB 4.44Å; Y78-R83 WeakPolarHBondContact OH-CB 3.39Å; Y78-W85 AromaticContact CD2-CD1 3.99Å; Y78-W85 HydrophobicContact CD2-CD2 4.05Å; Y78-W85 AromaticContact CD2-CE2 3.65Å; Y78-W85 HydrophobicContact CD2-CG 4.25Å; Y78-W85 HydrophobicContact CD2-CZ2 4.12Å; Y78-W85 AromaticContact CD2-NE1 3.62Å; Y78-W85 HydrophobicContact CG-CZ2 4.29Å; Y78-I152 HydrophobicContact CD1-CD1 3.76Å; Y78-I152 HydrophobicContact CD1-CG1 4.03Å; Y78-I152 HydrophobicContact CD2-CG2 4.34Å; Y78-I152 HydrophobicContact CE1-CD1 3.85Å; Y78-I152 HydrophobicContact CE1-CG1 3.71Å; Y78-I152 HydrophobicContact CG-CD1 4.47Å; Y78-I152 HydrophobicContact CG-CG2 4.36Å; Y78-Y171 HydrophobicContact CD1-CD2 4.22Å; Y78-Y171 PolarHBondContact N-O 3.45Å
79L88.8Confident90.6Very high18 Ų1856.7 Ų56.79%0.09427%0.274CS..EExtended strand (participates in β ladder)trans-88.2111.6173.9-61.9-173.5000110.4Q77 E81 R83 K84 R86Q77-L79 HydrophobicContact CG-CD2 4.23Å; L79-E81 PolarHBondContact O-N 2.72Å; L79-R83 WeakPolarHBondContact O-CA 3.42Å; L79-R83 PolarHBondContact O-N 2.96Å; L79-K84 WeakPolarHBondContact CB-O 3.5Å; L79-K84 PolarHBondContact N-O 2.76Å; L79-K84 PolarHBondContact O-N 3.37Å; L79-R86 HydrophobicContact CD1-CB 4.2Å; L79-R86 HydrophobicContact CD1-CG 3.6Å; L79-R86 HydrophobicContact CG-CB 4.39Å; L79-R86 HydrophobicContact CG-CG 4.16Å
80E81.6Confident91.2Very high20 Ų2053.7 Ų53.79%0.09326%0.256CS..THydrogen-bonded Turntrans-68.9-34-173.3179.2178.3-165.300113.8N82 R168 R266E80-N82 PolarHBondContact O-N 3Å; E80-R168 IonicContact OE2-CZ 2.66Å; E80-R168 IonicContact OE2-NE 2.59Å; E80-R168 PolarHBondContact OE2-NE 3.25Å; E80-R168 IonicContact OE2-NH2 2.81Å; E80-R168 PolarHBondContact OE2-NH2 3.13Å; E80-R266 IonicContact OE1-CZ 3.21Å; E80-R266 IonicContact OE1-NE 3.48Å; E80-R266 PolarHBondContact OE1-NE 3.34Å; E80-R266 IonicContact OE1-NH2 3.75Å; E80-R266 PolarHBondContact OE1-NH2 2.93Å
81E80.2Confident91.5Very high141 Ų14154.4 Ų54.466%0.65926%0.258SS*.THydrogen-bonded Turntrans-61.5-45.6-178.2-60.597.9-125.600112L79 R168L79-E81 PolarHBondContact O-N 2.72Å; E81-R168 IonicContact OE1-CZ 2.69Å; E81-R168 IonicContact OE1-NH1 2.76Å; E81-R168 IonicContact OE1-NH2 2.66Å; E81-R168 PolarHBondContact OE1-NH2 3.01Å
82N83.7Confident91.6Very high73 Ų7352.8 Ų52.839%0.3925%0.252SS..THydrogen-bonded Turntrans-106.2-2.5-176.264.143.8000113.9E80 K84E80-N82 PolarHBondContact O-N 3Å; N82-K84 VanDerWaalsContact C-N 3.27Å; N82-K84 PolarHBondContact O-N 3.21Å; N82-K84 VanDerWaalsContact OD1-CB 3.27Å; N82-K84 WeakPolarHBondContact OD1-CB 3.46Å; N82-K84 PolarHBondContact OD1-N 3.37Å
83R84.6Confident91.6Very high164 Ų16451.2 Ų51.262%0.61924%0.24SC*.THydrogen-bonded Turntrans5828.3-178.6-53.8-174.4-177.1-167.20.8115.1Y78 L79Y78-R83 HydrophobicContact CE2-CB 4.44Å; Y78-R83 WeakPolarHBondContact OH-CB 3.39Å; L79-R83 WeakPolarHBondContact O-CA 3.42Å; L79-R83 PolarHBondContact O-N 2.96Å
84K89.7Confident91.3Very high112 Ų11253.3 Ų53.349%0.48725%0.246SC..EExtended strand (participates in β ladder)trans-110.4144.4179.4-62.3169.7-176.8175.70110.6L79 N82L79-K84 WeakPolarHBondContact CB-O 3.5Å; L79-K84 PolarHBondContact N-O 2.76Å; L79-K84 PolarHBondContact O-N 3.37Å; N82-K84 VanDerWaalsContact C-N 3.27Å; N82-K84 PolarHBondContact O-N 3.21Å; N82-K84 VanDerWaalsContact OD1-CB 3.27Å; N82-K84 WeakPolarHBondContact OD1-CB 3.46Å; N82-K84 PolarHBondContact OD1-N 3.37Å
85W92.4Very high91Very high43 Ų4353.3 Ų53.316%0.16325%0.247CC..EExtended strand (participates in β ladder)trans-75.3144.6163.5-65.791.1000110F76 Q77 Y78 I152 K153 C154 P155 C173F76-W85 HydrophobicContact CB-CE3 4.24Å; F76-W85 WeakPolarHBondContact O-CZ3 3.36Å; Q77-W85 VanDerWaalsContact C-CE3 3.46Å; Q77-W85 CarbonylContact O-C 3.49Å; Q77-W85 WeakPolarHBondContact O-CA 3.36Å; Y78-W85 AromaticContact CD2-CD1 3.99Å; Y78-W85 HydrophobicContact CD2-CD2 4.05Å; Y78-W85 AromaticContact CD2-CE2 3.65Å; Y78-W85 HydrophobicContact CD2-CG 4.25Å; Y78-W85 HydrophobicContact CD2-CZ2 4.12Å; Y78-W85 AromaticContact CD2-NE1 3.62Å; Y78-W85 HydrophobicContact CG-CZ2 4.29Å; W85-I152 HydrophobicContact CH2-CG2 4.44Å; W85-I152 HydrophobicContact CZ2-CG2 3.6Å; W85-K153 PolarHBondContact NE1-O 3.19Å; W85-C154 HydrophobicContact CZ2-CB 4.48Å; W85-P155 HydrophobicContact CB-CG 4.21Å; W85-P155 HydrophobicContact CD2-CG 3.79Å; W85-P155 VanDerWaalsContact CE2-CD 3.47Å; W85-P155 HydrophobicContact CE3-CG 4.45Å; W85-P155 HydrophobicContact CG-CG 3.63Å; W85-C173 HydrophobicContact CH2-CB 4.22Å; W85-C173 HydrophobicContact CZ3-CB 4.05Å
86R93.4Very high90.9Very high118 Ų11853.4 Ų53.445%0.44525%0.247SC..EExtended strand (participates in β ladder)trans-141.9136.6177.9-74.2-66.5179-108.521.7109.4F76 Q77 L79F76-R86 CarbonylContact C-O 3.56Å; F76-R86 WeakPolarHBondContact CA-O 3.43Å; Q77-R86 PolarHBondContact N-O 3.33Å; Q77-R86 PolarHBondContact O-N 3.32Å; L79-R86 HydrophobicContact CD1-CB 4.2Å; L79-R86 HydrophobicContact CD1-CG 3.6Å; L79-R86 HydrophobicContact CG-CB 4.39Å; L79-R86 HydrophobicContact CG-CG 4.16Å
87N93.5Very high90.9Very high77 Ų7750.3 Ų50.341%0.41224%0.236SC..EExtended strand (participates in β ladder)trans-65.4142.9165.3-166.212.8000109.1S74 L75 F76S74-N87 WeakPolarHBondContact CB-OD1 3.09Å; L75-N87 PolarHBondContact O-OD1 3.44Å; F76-N87 HydrophobicContact CD1-CB 4.12Å; F76-N87 HydrophobicContact CE1-CB 4.04Å
88R95.3Very high90.9Very high27 Ų2750.2 Ų50.210%0.10224%0.236CC..EExtended strand (participates in β ladder)trans-135.3135.8174.2-68.6-62.2-167.9-1609.7107.8S74 L75 Q77 L100 Y101S74-R88 WeakPolarHBondContact CA-O 3.2Å; L75-R88 PolarHBondContact N-O 2.86Å; L75-R88 PolarHBondContact O-N 2.71Å; Q77-R88 HydrophobicContact CB-CG 3.85Å; R88-L100 HydrophobicContact CB-CD2 3.94Å; R88-L100 HydrophobicContact CG-CD2 4.18Å; R88-Y101 WeakPolarHBondContact CA-O 3.37Å; R88-Y101 VanDerWaalsContact CD-O 3.25Å; R88-Y101 WeakPolarHBondContact CD-O 3.44Å
89F96.6Very high91.1Very high15 Ų1549.6 Ų49.67%0.06624%0.235CC..EExtended strand (participates in β ladder)trans-77.5128163.9179.6-110.7000108G73 F91 Y101 S103 K104 H107G73-F89 VanDerWaalsContact O-CD2 3.25Å; G73-F89 WeakPolarHBondContact O-CD2 3.32Å; F89-F91 HydrophobicContact CE1-CB 4.03Å; F89-Y101 HydrophobicContact CD1-CD2 4.3Å; F89-Y101 PolarHBondContact N-O 3.37Å; F89-Y101 VanDerWaalsContact N-O 3.09Å; F89-Y101 PolarHBondContact O-N 2.96Å; F89-S103 VanDerWaalsContact CB-C 3.5Å; F89-K104 HydrophobicContact CD1-CB 4.39Å; F89-K104 HydrophobicContact CD1-CG 4.37Å; F89-K104 HydrophobicContact CD2-CB 4.05Å; F89-K104 HydrophobicContact CD2-CG 4.14Å; F89-K104 HydrophobicContact CE1-CG 4.08Å; F89-K104 HydrophobicContact CE2-CB 4.27Å; F89-K104 HydrophobicContact CE2-CG 3.85Å; F89-K104 HydrophobicContact CG-CB 4.11Å; F89-K104 HydrophobicContact CG-CG 4.39Å; F89-K104 HydrophobicContact CZ-CG 3.8Å; F89-H107 HydrophobicContact CD1-CB 3.83Å; F89-H107 HydrophobicContact CE1-CB 3.82Å; F89-H107 AromaticContact CE1-CG 3.76Å; F89-H107 AromaticContact CE1-ND1 3.93Å
90V96.5Very high91.4Very high1 Ų148.8 Ų48.81%0.00623%0.23CC..EExtended strand (participates in β ladder)trans-112.2129.9-178175.40000107.9S72 G73 L75 I92 I98 N99 L100 W183S72-V90 CarbonylContact C-O 3.53Å; S72-V90 WeakPolarHBondContact CA-O 3.33Å; S72-V90 WeakPolarHBondContact CB-O 3.31Å; G73-V90 PolarHBondContact N-O 3.09Å; G73-V90 PolarHBondContact O-N 2.63Å; L75-V90 HydrophobicContact CB-CG2 4.09Å; L75-V90 HydrophobicContact CD1-CG2 4.21Å; L75-V90 HydrophobicContact CG-CG2 4.29Å; V90-I92 HydrophobicContact CG1-CD1 4.41Å; V90-I92 HydrophobicContact CG1-CG1 4.31Å; V90-I98 HydrophobicContact CG1-CG2 3.62Å; V90-N99 WeakPolarHBondContact CA-O 3.34Å; V90-L100 HydrophobicContact CG2-CD2 3.64Å; V90-L100 HydrophobicContact CG2-CG 4.08Å; V90-W183 HydrophobicContact CB-CH2 3.73Å; V90-W183 HydrophobicContact CB-CZ3 4.28Å; V90-W183 HydrophobicContact CG1-CH2 3.8Å; V90-W183 HydrophobicContact CG1-CZ3 3.85Å
91F95.3Very high92.1Very high32 Ų3249 Ų4914%0.1423%0.231CC..EExtended strand (participates in β ladder)trans-132.1133.1-178.5175.9-95.3000109.6T69 F89 P93 N99 Y101 H107T69-F91 HydrophobicContact CG2-CD2 4.13Å; T69-F91 HydrophobicContact CG2-CE2 3.45Å; T69-F91 VanDerWaalsContact CG2-CE2 3.45Å; T69-F91 HydrophobicContact CG2-CZ 3.9Å; F89-F91 HydrophobicContact CE1-CB 4.03Å; F91-P93 HydrophobicContact CE1-CB 3.88Å; F91-P93 HydrophobicContact CE1-CG 4.3Å; F91-P93 HydrophobicContact CZ-CB 4.49Å; F91-N99 PolarHBondContact N-O 2.81Å; F91-N99 WeakPolarHBondContact O-CB 3.34Å; F91-N99 PolarHBondContact O-N 2.74Å; F91-Y101 HydrophobicContact CB-CD2 4.28Å; F91-Y101 HydrophobicContact CB-CE2 3.95Å; F91-H107 AromaticContact CD1-NE2 3.81Å; F91-H107 AromaticContact CD2-CE1 3.95Å; F91-H107 AromaticContact CD2-NE2 3.48Å; F91-H107 WeakPolarHBondContact CD2-NE2 3.48Å; F91-H107 AromaticContact CE1-NE2 3.84Å; F91-H107 AromaticContact CE2-CE1 3.94Å; F91-H107 AromaticContact CE2-NE2 3.53Å; F91-H107 AromaticContact CG-CD2 3.87Å; F91-H107 AromaticContact CG-NE2 3.63Å; F91-H107 AromaticContact CZ-NE2 3.72Å
92I94.8Very high92.7Very high0 Ų047.5 Ų47.50%022%0.224CC..EExtended strand (participates in β ladder)trans-12797.9-173.6-58170.6000107.4I70 F71 V90 Y96 I98 W183 V186I70-I92 HydrophobicContact CB-CG2 4.03Å; I70-I92 HydrophobicContact CG1-CG2 4.43Å; I70-I92 HydrophobicContact CG2-CG2 4.44Å; I70-I92 PolarHBondContact N-O 2.88Å; F71-I92 HydrophobicContact CB-CD1 4.33Å; F71-I92 PolarHBondContact N-O 2.86Å; F71-I92 PolarHBondContact O-N 2.91Å; V90-I92 HydrophobicContact CG1-CD1 4.41Å; V90-I92 HydrophobicContact CG1-CG1 4.31Å; I92-Y96 HydrophobicContact CG2-CD1 4.48Å; I92-I98 HydrophobicContact CD1-CG1 4.4Å; I92-I98 HydrophobicContact CG1-CG1 4.41Å; I92-W183 HydrophobicContact CD1-CZ3 4.34Å; I92-V186 HydrophobicContact CD1-CG1 3.32Å
93P91.7Very high93.2Very high22 Ų2246.8 Ų46.814%0.14322%0.224CC..EExtended strand (participates in β ladder)trans-72.3176.617532.8-34.8000110.7I70 F91 S95 Y96 A97I70-P93 WeakPolarHBondContact CG1-O 3.45Å; F91-P93 HydrophobicContact CE1-CB 3.88Å; F91-P93 HydrophobicContact CE1-CG 4.3Å; F91-P93 HydrophobicContact CZ-CB 4.49Å; P93-S95 PolarHBondContact O-N 3.2Å; P93-Y96 PolarHBondContact O-N 3.41Å; P93-A97 WeakPolarHBondContact CD-O 3.5Å
94N88.8Confident93.6Very high64 Ų6443.4 Ų43.434%0.34221%0.214SC..THydrogen-bonded Turntrans-48.7-24.9174.257.82.8000116.2L65 Y96L65-N94 HydrophobicContact CB-CB 3.59Å; L65-N94 HydrophobicContact CD1-CB 4.37Å; L65-N94 WeakPolarHBondContact O-CB 3.49Å; L65-N94 PolarHBondContact O-ND2 3Å; L65-N94 VanDerWaalsContact O-ND2 3.07Å; N94-Y96 WeakPolarHBondContact O-CD2 3.33Å; N94-Y96 PolarHBondContact O-N 3.33Å
95S88.4Confident93.8Very high69 Ų6940.4 Ų40.448%0.48321%0.21SC..THydrogen-bonded Turntrans-77.93.2173.967.80000115.3P93 A97P93-S95 PolarHBondContact O-N 3.2Å; S95-A97 PolarHBondContact O-N 3.44Å
96Y92.1Very high93.8Very high6 Ų639 Ų392%0.02421%0.208CC..  trans55.810.1-178.9-77-98.4000116.2L65 I70 I92 P93 N94 I98 D189 H193 F397L65-Y96 HydrophobicContact CD1-CE2 3.88Å; I70-Y96 HydrophobicContact CB-CE1 4.43Å; I70-Y96 HydrophobicContact CD1-CD2 4.39Å; I70-Y96 HydrophobicContact CD1-CE1 4.45Å; I70-Y96 HydrophobicContact CD1-CE2 3.61Å; I70-Y96 HydrophobicContact CG1-CD1 4.4Å; I70-Y96 HydrophobicContact CG1-CD2 4.09Å; I70-Y96 HydrophobicContact CG1-CE1 4.1Å; I70-Y96 HydrophobicContact CG1-CE2 3.74Å; I70-Y96 HydrophobicContact CG1-CG 4.43Å; I70-Y96 HydrophobicContact CG2-CD1 4.28Å; I70-Y96 HydrophobicContact CG2-CE1 3.62Å; I92-Y96 HydrophobicContact CG2-CD1 4.48Å; P93-Y96 PolarHBondContact O-N 3.41Å; N94-Y96 WeakPolarHBondContact O-CD2 3.33Å; N94-Y96 PolarHBondContact O-N 3.33Å; Y96-I98 PolarHBondContact O-N 3.09Å; Y96-D189 HydrophobicContact CE1-CB 4.14Å; Y96-H193 HydrophobicContact CD1-CB 4.01Å; Y96-H193 HydrophobicContact CD2-CB 3.81Å; Y96-H193 AromaticContact CD2-CD2 3.74Å; Y96-H193 AromaticContact CD2-CE1 3.46Å; Y96-H193 VanDerWaalsContact CD2-CE1 3.46Å; Y96-H193 WeakPolarHBondContact CD2-CE1 3.48Å; Y96-H193 AromaticContact CD2-CG 3.3Å; Y96-H193 AromaticContact CD2-ND1 3.11Å; Y96-H193 WeakPolarHBondContact CD2-ND1 3.35Å; Y96-H193 AromaticContact CD2-NE2 3.84Å; Y96-H193 HydrophobicContact CE1-CB 4.42Å; Y96-H193 HydrophobicContact CE2-CB 4.25Å; Y96-H193 AromaticContact CE2-CE1 3.78Å; Y96-H193 AromaticContact CE2-CG 3.83Å; Y96-H193 AromaticContact CE2-ND1 3.24Å; Y96-H193 WeakPolarHBondContact CE2-ND1 3.48Å; Y96-H193 HydrophobicContact CG-CB 3.66Å; Y96-H193 AromaticContact CG-CG 3.62Å; Y96-H193 AromaticContact CG-ND1 3.91Å; Y96-F397 WeakPolarHBondContact OH-CD1 3.34Å
97A93.7Very high93.8Very high17 Ų1735.4 Ų35.414%0.1420%0.196CC..  trans-73.7125.3174.700000111.1P93 S95 N99 I117P93-A97 WeakPolarHBondContact CD-O 3.5Å; S95-A97 PolarHBondContact O-N 3.44Å; A97-N99 PolarHBondContact O-N 3.44Å; A97-N99 PolarHBondContact O-ND2 2.89Å; A97-I117 WeakPolarHBondContact CA-O 3.48Å
98I96.2Very high93.7Very high3 Ų335.3 Ų35.32%0.01520%0.195CC..EExtended strand (participates in β ladder)trans-79.9105.9-176.6-53.7179.3000109.5V90 I92 Y96 L100 S116 I117 C119 L162 L187 C190V90-I98 HydrophobicContact CG1-CG2 3.62Å; I92-I98 HydrophobicContact CD1-CG1 4.4Å; I92-I98 HydrophobicContact CG1-CG1 4.41Å; Y96-I98 PolarHBondContact O-N 3.09Å; I98-L100 HydrophobicContact CG2-CD1 4.19Å; I98-L100 HydrophobicContact CG2-CG 4.49Å; I98-S116 CarbonylContact O-C 3.52Å; I98-S116 WeakPolarHBondContact O-CA 3.35Å; I98-I117 HydrophobicContact CB-CB 4.23Å; I98-I117 PolarHBondContact N-O 2.9Å; I98-I117 PolarHBondContact O-N 3.44Å; I98-C119 WeakPolarHBondContact CD1-SG 3.36Å; I98-L162 HydrophobicContact CD1-CD1 4.14Å; I98-L187 HydrophobicContact CD1-CD2 3.38Å; I98-C190 HydrophobicContact CD1-CB 4.2Å; I98-C190 HydrophobicContact CG1-CB 4.26Å
99N96Very high93.7Very high20 Ų2042.9 Ų42.911%0.10722%0.224CC..EExtended strand (participates in β ladder)trans-99.1123.5179.8-63.5-56.8000110.9V90 F91 A97 Y101 P113 S116V90-N99 WeakPolarHBondContact CA-O 3.34Å; F91-N99 PolarHBondContact N-O 2.81Å; F91-N99 WeakPolarHBondContact O-CB 3.34Å; F91-N99 PolarHBondContact O-N 2.74Å; A97-N99 PolarHBondContact O-N 3.44Å; A97-N99 PolarHBondContact O-ND2 2.89Å; N99-Y101 HydrophobicContact CB-CD2 4.44Å; N99-Y101 HydrophobicContact CB-CE2 3.61Å; N99-P113 HydrophobicContact CB-CB 4.1Å; N99-P113 HydrophobicContact CB-CG 4.46Å; N99-S116 VanDerWaalsContact OD1-CB 3.23Å; N99-S116 WeakPolarHBondContact OD1-CB 3.35Å; N99-S116 PolarHBondContact OD1-OG 2.99Å
100L95.7Very high93.4Very high0 Ų049.2 Ų49.20%026%0.259CS..EExtended strand (participates in β ladder)trans-108.8115.1-176.9-66.4115.4000111.8R88 V90 I98 K114 I115 I117 F172R88-L100 HydrophobicContact CB-CD2 3.94Å; R88-L100 HydrophobicContact CG-CD2 4.18Å; V90-L100 HydrophobicContact CG2-CD2 3.64Å; V90-L100 HydrophobicContact CG2-CG 4.08Å; I98-L100 HydrophobicContact CG2-CD1 4.19Å; I98-L100 HydrophobicContact CG2-CG 4.49Å; L100-K114 WeakPolarHBondContact O-CB 3.19Å; L100-K114 PolarHBondContact O-N 3.36Å; L100-I115 HydrophobicContact CB-CB 4.34Å; L100-I115 HydrophobicContact CD1-CB 4.05Å; L100-I115 HydrophobicContact CD1-CG2 4.1Å; L100-I115 PolarHBondContact N-O 3.37Å; L100-I115 PolarHBondContact O-N 3.17Å; L100-I117 HydrophobicContact CD1-CD1 3.6Å; L100-I117 HydrophobicContact CD1-CG1 3.99Å; L100-F172 HydrophobicContact CD2-CE1 3.66Å; L100-F172 HydrophobicContact CD2-CZ 4.2Å
101Y95.9Very high93.2Very high25 Ų2553.8 Ų53.810%0.09828%0.282CS..EExtended strand (participates in β ladder)trans-104161.8179.9-63.3-93.6000111.4R88 F89 F91 N99 H107 L111 P113R88-Y101 WeakPolarHBondContact CA-O 3.37Å; R88-Y101 VanDerWaalsContact CD-O 3.25Å; R88-Y101 WeakPolarHBondContact CD-O 3.44Å; F89-Y101 HydrophobicContact CD1-CD2 4.3Å; F89-Y101 PolarHBondContact N-O 3.37Å; F89-Y101 VanDerWaalsContact N-O 3.09Å; F89-Y101 PolarHBondContact O-N 2.96Å; F91-Y101 HydrophobicContact CB-CD2 4.28Å; F91-Y101 HydrophobicContact CB-CE2 3.95Å; N99-Y101 HydrophobicContact CB-CD2 4.44Å; N99-Y101 HydrophobicContact CB-CE2 3.61Å; Y101-H107 HydrophobicContact CD1-CB 3.83Å; Y101-H107 HydrophobicContact CD2-CB 4.06Å; Y101-H107 HydrophobicContact CE1-CB 4.09Å; Y101-H107 HydrophobicContact CE2-CB 4.31Å; Y101-H107 AromaticContact CE2-CD2 3.83Å; Y101-H107 HydrophobicContact CG-CB 3.81Å; Y101-H107 AromaticContact CZ-CD2 3.8Å; Y101-L111 WeakPolarHBondContact CE1-O 3.48Å; Y101-P113 HydrophobicContact CD1-CB 4.32Å; Y101-P113 HydrophobicContact CE1-CB 3.9Å; Y101-P113 HydrophobicContact CE1-CG 4.48Å; Y101-P113 HydrophobicContact CE2-CB 4.1Å
102E93.4Very high92.9Very high110 Ų11060.2 Ų60.251%0.51431%0.312SS..SBendtrans-73.9-31179.7-170.5149.7-169.900113K114E102-K114 WeakPolarHBondContact OE2-CE 3.34Å; E102-K114 IonicContact OE2-NZ 3.69Å; E102-K114 PolarHBondContact OE2-NZ 2.98Å
103S93.2Very high92.9Very high57 Ų5762.3 Ų62.340%0.39933%0.326SS..SBendtrans-160.4169.1171.463.60000109.4F89 A105 A106 H107F89-S103 VanDerWaalsContact CB-C 3.5Å; S103-A105 VanDerWaalsContact C-N 3.35Å; S103-A105 PolarHBondContact O-N 3.47Å; S103-A106 WeakPolarHBondContact O-CB 3.45Å; S103-A106 PolarHBondContact O-N 2.86Å; S103-A106 VanDerWaalsContact O-N 3.08Å; S103-A106 PolarHBondContact OG-N 3.12Å; S103-H107 PolarHBondContact O-N 3.14Å
104K93.4Very high92.9Very high93 Ų9366.9 Ų66.940%0.40434%0.344SS..Hα-helixtrans-55.6-50.8173.3-161.9-158169179.70110.8F89 A106 H107 D108 E635F89-K104 HydrophobicContact CD1-CB 4.39Å; F89-K104 HydrophobicContact CD1-CG 4.37Å; F89-K104 HydrophobicContact CD2-CB 4.05Å; F89-K104 HydrophobicContact CD2-CG 4.14Å; F89-K104 HydrophobicContact CE1-CG 4.08Å; F89-K104 HydrophobicContact CE2-CB 4.27Å; F89-K104 HydrophobicContact CE2-CG 3.85Å; F89-K104 HydrophobicContact CG-CB 4.11Å; F89-K104 HydrophobicContact CG-CG 4.39Å; F89-K104 HydrophobicContact CZ-CG 3.8Å; K104-A106 PolarHBondContact O-N 3.34Å; K104-H107 WeakPolarHBondContact O-CA 3.23Å; K104-H107 VanDerWaalsContact O-CB 3.29Å; K104-H107 WeakPolarHBondContact O-CB 3.39Å; K104-H107 PolarHBondContact O-N 3.46Å; K104-D108 WeakPolarHBondContact CG-OD2 3.47Å; K104-D108 PolarHBondContact O-N 2.92Å; K104-D108 VanDerWaalsContact O-OD2 3.1Å; K104-E635 WeakPolarHBondContact CE-OE1 3.36Å; K104-E635 IonicContact NZ-OE1 3.44Å; K104-E635 PolarHBondContact NZ-OE1 3.01Å
105A94Very high93.1Very high50 Ų5065.7 Ų65.741%0.41334%0.337SS..Hα-helixtrans-62.1-4.3175.900000116.1S103 D108 R109S103-A105 VanDerWaalsContact C-N 3.35Å; S103-A105 PolarHBondContact O-N 3.47Å; A105-D108 PolarHBondContact N-OD2 3.47Å; A105-R109 VanDerWaalsContact O-CD 3.23Å; A105-R109 WeakPolarHBondContact O-CD 3.44Å; A105-R109 VanDerWaalsContact O-CG 3.28Å; A105-R109 WeakPolarHBondContact O-CG 3.33Å
106A93Very high93.4Very high13 Ų1365.6 Ų65.611%0.10734%0.336CS..Hα-helixtrans-88.9-39.4166.300000111.8S103 K104 L111S103-A106 WeakPolarHBondContact O-CB 3.45Å; S103-A106 PolarHBondContact O-N 2.86Å; S103-A106 VanDerWaalsContact O-N 3.08Å; S103-A106 PolarHBondContact OG-N 3.12Å; K104-A106 PolarHBondContact O-N 3.34Å; A106-L111 HydrophobicContact CB-CD1 4.11Å; A106-L111 VanDerWaalsContact O-CB 3.28Å; A106-L111 WeakPolarHBondContact O-CB 3.36Å; A106-L111 WeakPolarHBondContact O-CG 3.26Å; A106-L111 PolarHBondContact O-N 2.96Å
107H92.1Very high93.5Very high43 Ų4365.5 Ų65.520%0.19934%0.336CS..Hα-helixtrans-62.8-47.9169.4163.8-89.8000111F89 F91 Y101 S103 K104 R109 N110F89-H107 HydrophobicContact CD1-CB 3.83Å; F89-H107 HydrophobicContact CE1-CB 3.82Å; F89-H107 AromaticContact CE1-CG 3.76Å; F89-H107 AromaticContact CE1-ND1 3.93Å; F91-H107 AromaticContact CD1-NE2 3.81Å; F91-H107 AromaticContact CD2-CE1 3.95Å; F91-H107 AromaticContact CD2-NE2 3.48Å; F91-H107 WeakPolarHBondContact CD2-NE2 3.48Å; F91-H107 AromaticContact CE1-NE2 3.84Å; F91-H107 AromaticContact CE2-CE1 3.94Å; F91-H107 AromaticContact CE2-NE2 3.53Å; F91-H107 AromaticContact CG-CD2 3.87Å; F91-H107 AromaticContact CG-NE2 3.63Å; F91-H107 AromaticContact CZ-NE2 3.72Å; Y101-H107 HydrophobicContact CD1-CB 3.83Å; Y101-H107 HydrophobicContact CD2-CB 4.06Å; Y101-H107 HydrophobicContact CE1-CB 4.09Å; Y101-H107 HydrophobicContact CE2-CB 4.31Å; Y101-H107 AromaticContact CE2-CD2 3.83Å; Y101-H107 HydrophobicContact CG-CB 3.81Å; Y101-H107 AromaticContact CZ-CD2 3.8Å; S103-H107 PolarHBondContact O-N 3.14Å; K104-H107 WeakPolarHBondContact O-CA 3.23Å; K104-H107 VanDerWaalsContact O-CB 3.29Å; K104-H107 WeakPolarHBondContact O-CB 3.39Å; K104-H107 PolarHBondContact O-N 3.46Å; H107-R109 PolarHBondContact O-N 3.24Å; H107-N110 WeakPolarHBondContact O-CA 3.49Å; H107-N110 PolarHBondContact O-N 3.27Å
108D92.3Very high93.5Very high75 Ų7568.3 Ų68.340%0.40135%0.349SS..THydrogen-bonded Turntrans-69.20.1-176.6-41.7-29000113.7K104 A105K104-D108 WeakPolarHBondContact CG-OD2 3.47Å; K104-D108 PolarHBondContact O-N 2.92Å; K104-D108 VanDerWaalsContact O-OD2 3.1Å; A105-D108 PolarHBondContact N-OD2 3.47Å
109R94Very high93.5Very high186 Ų18668.1 Ų68.170%0.70235%0.348SS*.THydrogen-bonded Turntrans-113.813.7172.3-67.8178.7-177178.50.7112.3A105 H107 L111A105-R109 VanDerWaalsContact O-CD 3.23Å; A105-R109 WeakPolarHBondContact O-CD 3.44Å; A105-R109 VanDerWaalsContact O-CG 3.28Å; A105-R109 WeakPolarHBondContact O-CG 3.33Å; H107-R109 PolarHBondContact O-N 3.24Å; R109-L111 HydrophobicContact CB-CG 4.15Å; R109-L111 PolarHBondContact O-N 3.23Å; R109-L111 VanDerWaalsContact O-N 3.09Å
110N90.3Very high93.4Very high148 Ų14867.3 Ų67.379%0.79134%0.344SS*.THydrogen-bonded Turntrans52.831.3-179-54.673.7000113.1H107H107-N110 WeakPolarHBondContact O-CA 3.49Å; H107-N110 PolarHBondContact O-N 3.27Å
111L92.5Very high93.3Very high96 Ų9667.6 Ų67.650%0.50335%0.347SS..PPolyproline II helixtrans-69.9160.2172.4-57.1-178.2000109.7Y101 A106 R109Y101-L111 WeakPolarHBondContact CE1-O 3.48Å; A106-L111 HydrophobicContact CB-CD1 4.11Å; A106-L111 VanDerWaalsContact O-CB 3.28Å; A106-L111 WeakPolarHBondContact O-CB 3.36Å; A106-L111 WeakPolarHBondContact O-CG 3.26Å; A106-L111 PolarHBondContact O-N 2.96Å; R109-L111 HydrophobicContact CB-CG 4.15Å; R109-L111 PolarHBondContact O-N 3.23Å; R109-L111 VanDerWaalsContact O-N 3.09Å
112H90.4Very high93.4Very high167 Ų16767.4 Ų67.477%0.77335%0.346SS*.PPolyproline II helixtrans-72.6141178.9-69.652.8000111
113P93.5Very high93.4Very high44 Ų4465.1 Ų65.129%0.28633%0.334SS..PPolyproline II helixtrans-62.6145.5172.926.4-33.5000110.5N99 Y101 I115N99-P113 HydrophobicContact CB-CB 4.1Å; N99-P113 HydrophobicContact CB-CG 4.46Å; Y101-P113 HydrophobicContact CD1-CB 4.32Å; Y101-P113 HydrophobicContact CE1-CB 3.9Å; Y101-P113 HydrophobicContact CE1-CG 4.48Å; Y101-P113 HydrophobicContact CE2-CB 4.1Å; P113-I115 VanDerWaalsContact C-N 3.3Å
114K92.5Very high93.5Very high119 Ų11963 Ų6352%0.51732%0.321SS..SBendtrans-70.5-31.6178.1-60.4-75.7164.5152.30111.4L100 E102L100-K114 WeakPolarHBondContact O-CB 3.19Å; L100-K114 PolarHBondContact O-N 3.36Å; E102-K114 WeakPolarHBondContact OE2-CE 3.34Å; E102-K114 IonicContact OE2-NZ 3.69Å; E102-K114 PolarHBondContact OE2-NZ 2.98Å
115I91.9Very high93.6Very high38 Ų3858.9 Ų58.920%0.19530%0.303CS..EExtended strand (participates in β ladder)trans-146.3136.6176.7-58.7174.7000107.1L100 P113 I117 Y170L100-I115 HydrophobicContact CB-CB 4.34Å; L100-I115 HydrophobicContact CD1-CB 4.05Å; L100-I115 HydrophobicContact CD1-CG2 4.1Å; L100-I115 PolarHBondContact N-O 3.37Å; L100-I115 PolarHBondContact O-N 3.17Å; P113-I115 VanDerWaalsContact C-N 3.3Å; I115-I117 HydrophobicContact CG2-CD1 4.37Å; I115-I117 HydrophobicContact CG2-CG1 3.78Å; I115-Y170 HydrophobicContact CG2-CE1 3.99Å
116S94.5Very high93.7Very high68 Ų6859.1 Ų59.148%0.47630%0.299SS..EExtended strand (participates in β ladder)trans-115.2140.9162.3-170.90000108.6I98 N99I98-S116 CarbonylContact O-C 3.52Å; I98-S116 WeakPolarHBondContact O-CA 3.35Å; N99-S116 VanDerWaalsContact OD1-CB 3.23Å; N99-S116 WeakPolarHBondContact OD1-CB 3.35Å; N99-S116 PolarHBondContact OD1-OG 2.99Å
117I95.1Very high93.6Very high3 Ų360 Ų602%0.01531%0.305CS..EExtended strand (participates in β ladder)trans-127.6121.2-177.6-44.7173.5000109.1A97 I98 L100 I115 Y170 F172A97-I117 WeakPolarHBondContact CA-O 3.48Å; I98-I117 HydrophobicContact CB-CB 4.23Å; I98-I117 PolarHBondContact N-O 2.9Å; I98-I117 PolarHBondContact O-N 3.44Å; L100-I117 HydrophobicContact CD1-CD1 3.6Å; L100-I117 HydrophobicContact CD1-CG1 3.99Å; I115-I117 HydrophobicContact CG2-CD1 4.37Å; I115-I117 HydrophobicContact CG2-CG1 3.78Å; I117-Y170 HydrophobicContact CD1-CD1 3.6Å; I117-Y170 HydrophobicContact CD1-CD2 3.85Å; I117-Y170 HydrophobicContact CD1-CE1 3.63Å; I117-Y170 HydrophobicContact CD1-CE2 3.89Å; I117-Y170 HydrophobicContact CD1-CG 3.7Å; I117-Y170 HydrophobicContact CG1-CD1 4.43Å; I117-Y170 HydrophobicContact CG1-CE1 3.96Å; I117-Y170 HydrophobicContact CG1-CE2 4.11Å; I117-Y170 HydrophobicContact CG2-CD2 4.21Å; I117-Y170 HydrophobicContact CG2-CE2 3.7Å; I117-F172 HydrophobicContact CD1-CZ 4.33Å
118N94.1Very high93.4Very high76 Ų7659 Ų5941%0.40630%0.3SS..  trans-86.7133161.1176.4-76.8000108.2A120 Y122 Q235N118-A120 VanDerWaalsContact OD1-CB 3.27Å; N118-A120 WeakPolarHBondContact OD1-CB 3.34Å; N118-A120 PolarHBondContact OD1-N 3.47Å; N118-A120 VanDerWaalsContact OD1-N 3.09Å; N118-Y122 WeakPolarHBondContact O-CE2 3.47Å; N118-Q235 PolarHBondContact OD1-NE2 3.2Å
119C95.2Very high93.2Very high0 Ų062 Ų620%031%0.312CS..  trans-99.513.2-169.3-68.10000114.6I98 G121 Y122 C190 V191 S194I98-C119 WeakPolarHBondContact CD1-SG 3.36Å; C119-G121 PolarHBondContact O-N 3.41Å; C119-Y122 WeakPolarHBondContact O-CB 3.35Å; C119-Y122 PolarHBondContact O-N 3Å; C119-C190 HydrophobicContact CB-CB 4.23Å; C119-V191 HydrophobicContact CB-CG2 3.96Å; C119-S194 VanDerWaalsContact C-CB 3.47Å; C119-S194 PolarHBondContact N-OG 2.91Å
120A95.4Very high93Very high3 Ų357 Ų573%0.02530%0.297CS..THydrogen-bonded Turntrans-62.2134.2178.300000111.3N118 Y122 H164 N195 G231N118-A120 VanDerWaalsContact OD1-CB 3.27Å; N118-A120 WeakPolarHBondContact OD1-CB 3.34Å; N118-A120 PolarHBondContact OD1-N 3.47Å; N118-A120 VanDerWaalsContact OD1-N 3.09Å; A120-Y122 WeakPolarHBondContact O-CD2 3.49Å; A120-Y122 PolarHBondContact O-N 3.06Å; A120-H164 PolarHBondContact O-CD2 2.73Å; A120-H164 PolarHBondContact O-NE2 2.92Å; A120-N195 WeakPolarHBondContact CA-OD1 3.33Å; A120-G231 VanDerWaalsContact CB-CA 3.43Å
121G93.5Very high93Very high6 Ų650 Ų506%0.06226%0.259CS..THydrogen-bonded Turntrans70.60.8-178.300000115.4C119 H164 N195 C230C119-G121 PolarHBondContact O-N 3.41Å; G121-H164 PolarHBondContact O-CD2 2.9Å; G121-H164 VanDerWaalsContact O-CD2 3.24Å; G121-N195 PolarHBondContact N-OD1 2.69Å; G121-C230 VanDerWaalsContact CA-SG 3.57Å
122Y96.2Very high92.6Very high20 Ų2047.1 Ų47.18%0.07824%0.244CC..  trans-80.3155.8177.1-77.7-99.4000111.5N118 C119 A120 L162 W163 H164 R168 Y170 V191N118-Y122 WeakPolarHBondContact O-CE2 3.47Å; C119-Y122 WeakPolarHBondContact O-CB 3.35Å; C119-Y122 PolarHBondContact O-N 3Å; A120-Y122 WeakPolarHBondContact O-CD2 3.49Å; A120-Y122 PolarHBondContact O-N 3.06Å; Y122-L162 HydrophobicContact CD1-CB 3.74Å; Y122-L162 HydrophobicContact CE1-CB 4.26Å; Y122-W163 CarbonylContact C-O 3.56Å; Y122-W163 WeakPolarHBondContact CA-O 3.45Å; Y122-W163 WeakPolarHBondContact CD1-O 3.32Å; Y122-H164 HydrophobicContact CD1-CB 3.66Å; Y122-H164 HydrophobicContact CD2-CB 4.2Å; Y122-H164 AromaticContact CD2-CD2 3.7Å; Y122-H164 HydrophobicContact CE1-CB 3.55Å; Y122-H164 HydrophobicContact CE2-CB 4.11Å; Y122-H164 AromaticContact CE2-CD2 3.82Å; Y122-H164 HydrophobicContact CG-CB 4Å; Y122-R168 WeakPolarHBondContact CE1-O 3.37Å; Y122-R168 PolarHBondContact OH-O 3.03Å; Y122-Y170 HydrophobicContact CE1-CD2 4.11Å; Y122-Y170 HydrophobicContact CE1-CE2 4.18Å; Y122-V191 WeakPolarHBondContact O-CG1 2.95Å
123K94.6Very high92.5Very high62 Ų6246.1 Ų46.127%0.2724%0.239SC..EExtended strand (participates in β ladder)trans-119.8131.3168.1-58.8-171.7-178.5-173.80109L125 W163 E227K123-L125 HydrophobicContact CB-CD2 3.97Å; K123-W163 HydrophobicContact CB-CE3 4.15Å; K123-W163 HydrophobicContact CD-CE3 4.13Å; K123-W163 HydrophobicContact CD-CZ3 3.98Å; K123-W163 HydrophobicContact CG-CE3 4.06Å; K123-W163 HydrophobicContact CG-CZ3 4.26Å; K123-W163 PolarHBondContact N-O 2.97Å; K123-W163 PolarHBondContact O-N 3.46Å; K123-E227 WeakPolarHBondContact CE-OE1 3.45Å; K123-E227 WeakPolarHBondContact CE-OE2 3.35Å; K123-E227 IonicContact NZ-OE1 2.74Å; K123-E227 PolarHBondContact NZ-OE1 3.14Å; K123-E227 IonicContact NZ-OE2 3Å; K123-E227 PolarHBondContact NZ-OE2 3.26Å
124A95.8Very high92.1Very high14 Ų1446.1 Ų46.112%0.11624%0.237CC..EExtended strand (participates in β ladder)trans-96.1111.1-17900000110L162 H184 L187 Q188A124-L162 HydrophobicContact CB-CD2 4.05Å; A124-H184 PolarHBondContact O-NE2 2.91Å; A124-L187 HydrophobicContact CB-CB 3.85Å; A124-Q188 HydrophobicContact CB-CG 4.18Å
125L95.4Very high91.7Very high5 Ų540.5 Ų40.53%0.02621%0.212CC..EExtended strand (participates in β ladder)trans-110.1146-170.9-41178.1000110.7K123 E130 Y131 L134 L160 I161 W163K123-L125 HydrophobicContact CB-CD2 3.97Å; L125-E130 WeakPolarHBondContact CB-OE2 3.19Å; L125-E130 HydrophobicContact CD2-CG 4.37Å; L125-Y131 HydrophobicContact CD1-CD2 3.97Å; L125-Y131 HydrophobicContact CD1-CG 4.42Å; L125-L134 HydrophobicContact CD1-CD1 3.82Å; L125-L134 HydrophobicContact CD2-CD1 4.13Å; L125-L160 WeakPolarHBondContact O-CA 3.38Å; L125-I161 HydrophobicContact CB-CB 4.29Å; L125-I161 PolarHBondContact N-O 3.27Å; L125-I161 PolarHBondContact O-N 3.02Å; L125-W163 HydrophobicContact CD1-CB 3.84Å; L125-W163 HydrophobicContact CG-CB 4.41Å
126T94.9Very high91.2Very high55 Ų5542 Ų4234%0.33722%0.221SC..SBendtrans-109.8-7178.251.50000113.5P159 L160 Q180 H184T126-P159 WeakPolarHBondContact O-CG 3.35Å; T126-L160 HydrophobicContact CG2-CD2 4.12Å; T126-Q180 PolarHBondContact O-NE2 3.38Å; T126-Q180 VanDerWaalsContact O-NE2 3.14Å; T126-H184 HydrophobicContact CG2-CB 4.01Å
127S91.6Very high90.4Very high32 Ų3242.4 Ų42.422%0.22422%0.223CC..  trans-116.6145.4-179.1162.50000111.7E129 E130 Y131S127-E129 WeakPolarHBondContact OG-CB 3.43Å; S127-E129 PolarHBondContact OG-N 3.42Å; S127-E129 PolarHBondContact OG-OE2 2.95Å; S127-E130 PolarHBondContact OG-N 3.06Å; S127-E130 VanDerWaalsContact OG-N 3.12Å; S127-Y131 PolarHBondContact O-N 3.42Å
128M88.1Confident89.3Confident21 Ų2143 Ų4310%0.10323%0.228CC..Hα-helixtrans-81.9-24.7171.5-171.864.7-171.600111.3Y131 M132 F151 I161M128-Y131 HydrophobicContact CE-CD1 3.9Å; M128-Y131 HydrophobicContact CE-CE1 4.19Å; M128-Y131 HydrophobicContact SD-CD1 3.87Å; M128-M132 HydrophobicContact CE-CG 4.19Å; M128-M132 HydrophobicContact CE-SD 4.17Å; M128-M132 VanDerWaalsContact O-CB 3.32Å; M128-M132 WeakPolarHBondContact O-CB 3.4Å; M128-M132 WeakPolarHBondContact O-CG 3.47Å; M128-M132 PolarHBondContact O-N 2.93Å; M128-F151 HydrophobicContact CE-CD1 4.23Å; M128-F151 HydrophobicContact CE-CE1 3.83Å; M128-F151 HydrophobicContact CE-CZ 4.43Å; M128-I161 HydrophobicContact SD-CD1 3.84Å
129E88.2Confident88.3Confident138 Ų13839.7 Ų39.765%0.64521%0.21SC*.Hα-helixtrans-69.1-52178.3-59.160.9-138.400110S127 Y131 M132 E133S127-E129 WeakPolarHBondContact OG-CB 3.43Å; S127-E129 PolarHBondContact OG-N 3.42Å; S127-E129 PolarHBondContact OG-OE2 2.95Å; E129-Y131 VanDerWaalsContact C-N 3.35Å; E129-Y131 PolarHBondContact O-N 2.99Å; E129-M132 PolarHBondContact O-N 3.33Å; E129-M132 VanDerWaalsContact O-N 3.09Å; E129-E133 PolarHBondContact O-N 3.14Å
130E89.4Confident86.7Confident83 Ų8344 Ų4439%0.38824%0.239SC..Hα-helixtrans-53.8-49.4171.8178.7-172.8-160.200111.4L125 S127 M132 E133 L134L125-E130 WeakPolarHBondContact CB-OE2 3.19Å; L125-E130 HydrophobicContact CD2-CG 4.37Å; S127-E130 PolarHBondContact OG-N 3.06Å; S127-E130 VanDerWaalsContact OG-N 3.12Å; E130-M132 VanDerWaalsContact C-N 3.31Å; E130-M132 PolarHBondContact O-N 3.28Å; E130-E133 WeakPolarHBondContact O-CB 3.27Å; E130-E133 PolarHBondContact O-N 2.88Å; E130-L134 PolarHBondContact O-N 3.09Å; E130-L134 VanDerWaalsContact O-N 3.1Å
131Y89.8Confident84.9Confident1 Ų150.5 Ų50.50%0.00427%0.268CS..Hα-helixtrans-59.5-40.6175.8172.9-100.8000112.7L125 S127 M128 E129 E133 L135 F151 I161 W163 H169 Y171L125-Y131 HydrophobicContact CD1-CD2 3.97Å; L125-Y131 HydrophobicContact CD1-CG 4.42Å; S127-Y131 PolarHBondContact O-N 3.42Å; M128-Y131 HydrophobicContact CE-CD1 3.9Å; M128-Y131 HydrophobicContact CE-CE1 4.19Å; M128-Y131 HydrophobicContact SD-CD1 3.87Å; E129-Y131 VanDerWaalsContact C-N 3.35Å; E129-Y131 PolarHBondContact O-N 2.99Å; Y131-E133 VanDerWaalsContact C-N 3.35Å; Y131-L135 HydrophobicContact CE1-CD2 3.95Å; Y131-L135 VanDerWaalsContact O-CB 3.28Å; Y131-L135 WeakPolarHBondContact O-CB 3.42Å; Y131-L135 PolarHBondContact O-N 3.49Å; Y131-F151 AromaticContact CE1-CE1 3.92Å; Y131-F151 HydrophobicContact CE1-CE1 3.92Å; Y131-F151 AromaticContact CE1-CZ 3.86Å; Y131-F151 HydrophobicContact CE1-CZ 3.86Å; Y131-I161 HydrophobicContact CD1-CD1 4.2Å; Y131-I161 HydrophobicContact CD2-CD1 4.38Å; Y131-I161 HydrophobicContact CD2-CG2 3.59Å; Y131-I161 HydrophobicContact CE2-CG2 3.94Å; Y131-I161 HydrophobicContact CG-CD1 3.82Å; Y131-I161 HydrophobicContact CG-CG2 4.12Å; Y131-W163 HydrophobicContact CD2-CB 4.4Å; Y131-W163 AromaticContact CE2-CD1 3.82Å; Y131-H169 AromaticContact CE2-CE1 3.89Å; Y131-H169 AromaticContact CE2-ND1 3.36Å; Y131-H169 WeakPolarHBondContact CE2-ND1 3.5Å; Y131-H169 AromaticContact CZ-ND1 3.57Å; Y131-H169 PolarHBondContact OH-ND1 3.24Å; Y131-Y171 AromaticContact CE1-CE1 3.9Å; Y131-Y171 HydrophobicContact CE1-CE1 3.9Å; Y131-Y171 HydrophobicContact CE2-CE1 4.18Å; Y131-Y171 AromaticContact CZ-CE1 3.67Å; Y131-Y171 PolarHBondContact OH-OH 3.48Å
132M85.4Confident83.2Confident35 Ų3551.3 Ų51.317%0.17227%0.271CS..Hα-helixtrans-69.6-30.8177.9-78.3-66.5-51.700112.5M128 E129 E130 L135 N136 F151 Q262M128-M132 HydrophobicContact CE-CG 4.19Å; M128-M132 HydrophobicContact CE-SD 4.17Å; M128-M132 VanDerWaalsContact O-CB 3.32Å; M128-M132 WeakPolarHBondContact O-CB 3.4Å; M128-M132 WeakPolarHBondContact O-CG 3.47Å; M128-M132 PolarHBondContact O-N 2.93Å; E129-M132 PolarHBondContact O-N 3.33Å; E129-M132 VanDerWaalsContact O-N 3.09Å; E130-M132 VanDerWaalsContact C-N 3.31Å; E130-M132 PolarHBondContact O-N 3.28Å; M132-L135 PolarHBondContact O-N 3.42Å; M132-L135 HydrophobicContact SD-CD2 4.06Å; M132-N136 WeakPolarHBondContact O-CB 3.49Å; M132-N136 PolarHBondContact O-N 3.12Å; M132-N136 PolarHBondContact O-ND2 3.2Å; M132-F151 HydrophobicContact SD-CD1 4.09Å; M132-F151 HydrophobicContact SD-CE1 3.88Å; M132-Q262 HydrophobicContact CE-CG 4.38Å
133E86.6Confident81.2Confident145 Ų14560.5 Ų60.568%0.67831%0.311SS*.Hα-helixtrans-65.1-50.9172.4-178162.9-16100111.5E129 E130 Y131 L135 N136 S137E129-E133 PolarHBondContact O-N 3.14Å; E130-E133 WeakPolarHBondContact O-CB 3.27Å; E130-E133 PolarHBondContact O-N 2.88Å; Y131-E133 VanDerWaalsContact C-N 3.35Å; E133-L135 VanDerWaalsContact C-N 3.25Å; E133-L135 PolarHBondContact O-N 2.86Å; E133-N136 WeakPolarHBondContact O-CB 3.39Å; E133-N136 PolarHBondContact O-N 3.48Å; E133-S137 PolarHBondContact O-N 3.39Å
134L86.6Confident79.4Confident44 Ų4458.9 Ų58.923%0.2331%0.31CS..Hα-helixtrans-60.2-33.9173.3-65.6171.8000112.5L125 E130 S137 S138 W163L125-L134 HydrophobicContact CD1-CD1 3.82Å; L125-L134 HydrophobicContact CD2-CD1 4.13Å; E130-L134 PolarHBondContact O-N 3.09Å; E130-L134 VanDerWaalsContact O-N 3.1Å; L134-S137 PolarHBondContact O-OG 3.15Å; L134-S138 PolarHBondContact O-N 3.33Å; L134-W163 HydrophobicContact CB-CZ2 4.32Å; L134-W163 HydrophobicContact CD1-CD2 4.17Å; L134-W163 HydrophobicContact CD1-CG 4.28Å
135L82.8Confident77.6Confident1 Ų167 Ų671%0.00534%0.342CS..Hα-helixtrans-73.1-27.2174.6-165.467.8000112.5Y131 M132 E133 S138 F151 Q265 M269Y131-L135 HydrophobicContact CE1-CD2 3.95Å; Y131-L135 VanDerWaalsContact O-CB 3.28Å; Y131-L135 WeakPolarHBondContact O-CB 3.42Å; Y131-L135 PolarHBondContact O-N 3.49Å; M132-L135 PolarHBondContact O-N 3.42Å; M132-L135 HydrophobicContact SD-CD2 4.06Å; E133-L135 VanDerWaalsContact C-N 3.25Å; E133-L135 PolarHBondContact O-N 2.86Å; L135-S138 PolarHBondContact O-OG 3.26Å; L135-F151 HydrophobicContact CD2-CE1 3.77Å; L135-F151 HydrophobicContact CD2-CZ 4.23Å; L135-Q265 VanDerWaalsContact C-NE2 3.35Å; L135-Q265 HydrophobicContact CD1-CB 4.16Å; L135-Q265 HydrophobicContact CD2-CB 3.91Å; L135-Q265 HydrophobicContact CD2-CG 4.37Å; L135-Q265 HydrophobicContact CG-CB 3.9Å; L135-Q265 HydrophobicContact CG-CG 4.05Å; L135-Q265 PolarHBondContact O-NE2 3.01Å; L135-M269 HydrophobicContact CD1-CE 4.09Å; L135-M269 HydrophobicContact CD1-CG 3.94Å; L135-M269 HydrophobicContact CD1-SD 3.87Å
136N81.3Confident75.7Confident71 Ų7172 Ų7238%0.3838%0.375SS..Hα-helixtrans-76.4-42.2175.9-71.4-29.3000111.7M132 E133 S138 L139 P140 Q265M132-N136 WeakPolarHBondContact O-CB 3.49Å; M132-N136 PolarHBondContact O-N 3.12Å; M132-N136 PolarHBondContact O-ND2 3.2Å; E133-N136 WeakPolarHBondContact O-CB 3.39Å; E133-N136 PolarHBondContact O-N 3.48Å; N136-S138 PolarHBondContact O-N 3.15Å; N136-L139 CarbonylContact O-C 3.59Å; N136-L139 PolarHBondContact O-N 3.34Å; N136-P140 WeakPolarHBondContact O-CD 3.38Å; N136-Q265 PolarHBondContact OD1-NE2 3.18Å
137S78.2Confident73.7Confident75 Ų7570.9 Ų70.952%0.52437%0.369SS..Hα-helixtrans-62.8-2417469.10000112.8E133 L134 L139 P140E133-S137 PolarHBondContact O-N 3.39Å; L134-S137 PolarHBondContact O-OG 3.15Å; S137-L139 VanDerWaalsContact C-N 3.26Å; S137-L139 PolarHBondContact O-N 3.18Å; S137-P140 WeakPolarHBondContact O-CD 3.42Å
138S73.2Confident71.8Confident17 Ų1777 Ų7712%0.11940%0.4CS..THydrogen-bonded Turntrans-63.5-22.717286.30000114.5L134 L135 N136 R250L134-S138 PolarHBondContact O-N 3.33Å; L135-S138 PolarHBondContact O-OG 3.26Å; N136-S138 PolarHBondContact O-N 3.15Å; S138-R250 VanDerWaalsContact C-NH1 3.34Å; S138-R250 VanDerWaalsContact O-CD 3.25Å; S138-R250 WeakPolarHBondContact O-CD 3.43Å; S138-R250 PolarHBondContact O-NH1 3.5Å
139L72.4Confident70.3Confident6 Ų679 Ų793%0.03142%0.419CS..SBendtrans-147.341-173.7-78.1173000116.9N136 S137 E141 I142 R250 Q265 W268N136-L139 CarbonylContact O-C 3.59Å; N136-L139 PolarHBondContact O-N 3.34Å; S137-L139 VanDerWaalsContact C-N 3.26Å; S137-L139 PolarHBondContact O-N 3.18Å; L139-E141 VanDerWaalsContact C-N 3.27Å; L139-E141 PolarHBondContact O-N 2.84Å; L139-I142 HydrophobicContact CB-CD1 4.25Å; L139-I142 HydrophobicContact CD1-CD1 4.08Å; L139-I142 HydrophobicContact CD2-CD1 3.84Å; L139-I142 HydrophobicContact CG-CD1 4.3Å; L139-I142 PolarHBondContact O-N 3.46Å; L139-R250 HydrophobicContact CD2-CG 3.69Å; L139-Q265 HydrophobicContact CD1-CB 4.33Å; L139-Q265 HydrophobicContact CD1-CG 3.81Å; L139-W268 HydrophobicContact CD1-CB 3.69Å; L139-W268 HydrophobicContact CD1-CG 3.8Å; L139-W268 HydrophobicContact CD2-CD2 4.33Å; L139-W268 HydrophobicContact CD2-CG 3.97Å; L139-W268 HydrophobicContact CG-CB 4.49Å; L139-W268 VanDerWaalsContact CG-CD1 3.5Å; L139-W268 HydrophobicContact CG-CG 4.06Å
140P62.1Low69Low91 Ų9176.1 Ų76.159%0.59141%0.413SS*.THydrogen-bonded Turntrans-58.9-22.9-170.120.9-35.2000116.9N136 S137 I142N136-P140 WeakPolarHBondContact O-CD 3.38Å; S137-P140 WeakPolarHBondContact O-CD 3.42Å; P140-I142 VanDerWaalsContact C-N 3.29Å; P140-I142 PolarHBondContact O-N 3.2Å
141E56.8Low68Low138 Ų13874.7 Ų74.765%0.64541%0.405SS*.THydrogen-bonded Turntrans-77.9-9.8-177.5-60.3-168.415900114.3L139 K143L139-E141 VanDerWaalsContact C-N 3.27Å; L139-E141 PolarHBondContact O-N 2.84Å; E141-K143 PolarHBondContact O-N 3.18Å
142I58.3Low67.5Low23 Ų2374.9 Ų74.912%0.11841%0.406CS..  trans-78.295.9-175.5-68-177.4000110.7L139 P140 A144 L261 R264L139-I142 HydrophobicContact CB-CD1 4.25Å; L139-I142 HydrophobicContact CD1-CD1 4.08Å; L139-I142 HydrophobicContact CD2-CD1 3.84Å; L139-I142 HydrophobicContact CG-CD1 4.3Å; L139-I142 PolarHBondContact O-N 3.46Å; P140-I142 VanDerWaalsContact C-N 3.29Å; P140-I142 PolarHBondContact O-N 3.2Å; I142-A144 HydrophobicContact CG2-CB 3.85Å; I142-A144 PolarHBondContact O-N 2.72Å; I142-L261 HydrophobicContact CB-CD1 4.2Å; I142-L261 HydrophobicContact CG2-CD1 3.86Å; I142-R264 VanDerWaalsContact CG2-CZ 3.44Å
143K53.3Low67.4Low213 Ų21381.7 Ų81.793%0.92644%0.435SS*.  trans-65.374.2167-65.3-176.1-178.91790111.6E141E141-K143 PolarHBondContact O-N 3.18Å
144A57.9Low67.2Low29 Ų2976.3 Ų76.324%0.2441%0.413CS..  trans-112.8157.4169.800000110I142 L261I142-A144 HydrophobicContact CG2-CB 3.85Å; I142-A144 PolarHBondContact O-N 2.72Å; A144-L261 HydrophobicContact CB-CB 3.97Å; A144-L261 HydrophobicContact CB-CD1 4.3Å
145K56.8Low67.2Low185 Ų18578 Ų7880%0.80443%0.427SS*.  trans-64.4131.7173.7-67.8-172.4176.9-173.50109.4
146P55.6Low67.4Low109 Ų10979.9 Ų79.971%0.70844%0.438SS*.  trans-61.7153.8172.626.9-34000110.6
147S52.6Low67.8Low32 Ų3284.9 Ų84.922%0.22446%0.459CS..  trans-140.598.4-175.8177.20000108.6A149 Q262S147-A149 PolarHBondContact O-N 2.7Å; S147-Q262 PolarHBondContact O-NE2 2.7Å; S147-Q262 VanDerWaalsContact O-NE2 3.13Å; S147-Q262 PolarHBondContact OG-OE1 3.33Å; S147-Q262 VanDerWaalsContact OG-OE1 3.12Å
148N53.2Low68.6Low160 Ų16083.6 Ų83.686%0.85645%0.445SS*.  trans-74.2-2-175.8-63.231.6000113.6
149A55.8Low69.6Low63 Ų6383.4 Ų83.452%0.52144%0.443SS..SBendtrans-81.8125.3171.400000109.4S147 Q262S147-A149 PolarHBondContact O-N 2.7Å; A149-Q262 PolarHBondContact O-NE2 3.48Å; A149-Q262 PolarHBondContact O-OE1 3.32Å
150P60.9Low70.8Confident78 Ų7883.1 Ų83.151%0.50644%0.441SS..  trans-67.9140.9179.529.1-35.5000111
151F69.6Low72.4Confident52 Ų5279 Ų7923%0.22841%0.414CS..SBendtrans-80.2-19.9-175.373.1-86.3000113.6M128 Y131 M132 L135 Y171 Q262M128-F151 HydrophobicContact CE-CD1 4.23Å; M128-F151 HydrophobicContact CE-CE1 3.83Å; M128-F151 HydrophobicContact CE-CZ 4.43Å; Y131-F151 AromaticContact CE1-CE1 3.92Å; Y131-F151 HydrophobicContact CE1-CE1 3.92Å; Y131-F151 AromaticContact CE1-CZ 3.86Å; Y131-F151 HydrophobicContact CE1-CZ 3.86Å; M132-F151 HydrophobicContact SD-CD1 4.09Å; M132-F151 HydrophobicContact SD-CE1 3.88Å; L135-F151 HydrophobicContact CD2-CE1 3.77Å; L135-F151 HydrophobicContact CD2-CZ 4.23Å; F151-Y171 HydrophobicContact CZ-CE1 4.46Å; F151-Q262 HydrophobicContact CB-CB 4.02Å; F151-Q262 HydrophobicContact CB-CG 4.37Å; F151-Q262 HydrophobicContact CD1-CB 4.38Å; F151-Q262 HydrophobicContact CD1-CG 4.27Å; F151-Q262 HydrophobicContact CG-CB 4.4Å
152I78.3Confident74.3Confident5 Ų572.4 Ų72.43%0.02638%0.383CS..SBendtrans-109.4128.2163.5-68.5170000106.5Y78 W85 Y171Y78-I152 HydrophobicContact CD1-CD1 3.76Å; Y78-I152 HydrophobicContact CD1-CG1 4.03Å; Y78-I152 HydrophobicContact CD2-CG2 4.34Å; Y78-I152 HydrophobicContact CE1-CD1 3.85Å; Y78-I152 HydrophobicContact CE1-CG1 3.71Å; Y78-I152 HydrophobicContact CG-CD1 4.47Å; Y78-I152 HydrophobicContact CG-CG2 4.36Å; W85-I152 HydrophobicContact CH2-CG2 4.44Å; W85-I152 HydrophobicContact CZ2-CG2 3.6Å; I152-Y171 HydrophobicContact CD1-CD1 3.52Å; I152-Y171 HydrophobicContact CD1-CD2 3.62Å; I152-Y171 HydrophobicContact CD1-CE1 3.51Å; I152-Y171 HydrophobicContact CD1-CE2 3.64Å; I152-Y171 HydrophobicContact CD1-CG 3.56Å
153K83.1Confident76.1Confident178 Ų17872.6 Ų72.677%0.77438%0.383SS*.  trans-95.9112.8167.3-173.7178.7179.3-176.10108.2W85W85-K153 PolarHBondContact NE1-O 3.19Å
154C83.6Confident78Confident32 Ų3262.5 Ų62.522%0.21634%0.339CS..  trans-67.3141.4171.8-58.80000109.9W85 T156W85-C154 HydrophobicContact CZ2-CB 4.48Å; C154-T156 VanDerWaalsContact C-N 3.3Å; C154-T156 VanDerWaalsContact CB-O 3.3Å; C154-T156 WeakPolarHBondContact CB-O 3.26Å
155P84.8Confident79.6Confident81 Ų8162.6 Ų62.653%0.52634%0.337SS..SBendtrans-70.8-28.6173.2-15.231000112.2W85 C173W85-P155 HydrophobicContact CB-CG 4.21Å; W85-P155 HydrophobicContact CD2-CG 3.79Å; W85-P155 VanDerWaalsContact CE2-CD 3.47Å; W85-P155 HydrophobicContact CE3-CG 4.45Å; W85-P155 HydrophobicContact CG-CG 3.63Å; P155-C173 WeakPolarHBondContact CD-SG 3.45Å
156T88.4Confident81.3Confident39 Ų3954.9 Ų54.924%0.23930%0.303CS..SBendtrans-124.4173.1-177.567.40000110.8C154 F158 V174C154-T156 VanDerWaalsContact C-N 3.3Å; C154-T156 VanDerWaalsContact CB-O 3.3Å; C154-T156 WeakPolarHBondContact CB-O 3.26Å; T156-F158 VanDerWaalsContact C-N 3.28Å; T156-V174 WeakPolarHBondContact CB-O 3.26Å; T156-V174 WeakPolarHBondContact CG2-O 3.32Å; T156-V174 PolarHBondContact OG1-O 3.15Å
157Q90Very high83.1Confident177 Ų17749.8 Ų49.883%0.82727%0.27SS*.SBendtrans-84.1-0.8178.2-63.1-178.399.300113.3P159Q157-P159 VanDerWaalsContact C-CD 3.47Å; Q157-P159 WeakPolarHBondContact O-CD 3.33Å
158F94.3Very high85Confident48 Ų4851.2 Ų51.221%0.21127%0.27CS..EExtended strand (participates in β ladder)trans-118.575.9-170.1-51.8-64.4000110.8T156 C173 V174 V175 E177 Q180T156-F158 VanDerWaalsContact C-N 3.28Å; F158-C173 WeakPolarHBondContact O-CA 3.26Å; F158-V174 HydrophobicContact CB-CG2 3.68Å; F158-V174 PolarHBondContact O-N 2.79Å; F158-V174 VanDerWaalsContact O-N 3.12Å; F158-V175 VanDerWaalsContact CD2-O 3.31Å; F158-V175 WeakPolarHBondContact CD2-O 3.16Å; F158-V175 VanDerWaalsContact CE2-O 3.26Å; F158-V175 WeakPolarHBondContact CE2-O 3.22Å; F158-E177 HydrophobicContact CD1-CB 4.21Å; F158-E177 HydrophobicContact CE1-CB 3.69Å; F158-E177 HydrophobicContact CE1-CG 4.15Å; F158-E177 HydrophobicContact CZ-CB 4.08Å; F158-Q180 HydrophobicContact CB-CB 4.1Å; F158-Q180 HydrophobicContact CB-CG 4.08Å
159P94.9Very high86.9Confident13 Ų1343.9 Ų43.98%0.08423%0.231CC..EExtended strand (participates in β ladder)trans-77.7156.2176.433.9-34.5000111.4T126 Q157 F172 Q180T126-P159 WeakPolarHBondContact O-CG 3.35Å; Q157-P159 VanDerWaalsContact C-CD 3.47Å; Q157-P159 WeakPolarHBondContact O-CD 3.33Å; P159-F172 WeakPolarHBondContact CA-O 3.4Å; P159-Q180 PolarHBondContact O-NE2 3.12Å
160L96.7Very high88.7Confident0 Ų042.5 Ų42.50%021%0.213CC..EExtended strand (participates in β ladder)trans-136120.4169.7-72.4166.5000107.4L125 T126 F172 V174 Q180 W183 H184 L187L125-L160 WeakPolarHBondContact O-CA 3.38Å; T126-L160 HydrophobicContact CG2-CD2 4.12Å; L160-F172 HydrophobicContact CB-CB 4.17Å; L160-F172 PolarHBondContact N-O 3.12Å; L160-F172 PolarHBondContact O-N 2.94Å; L160-V174 HydrophobicContact CD1-CG1 4.11Å; L160-Q180 HydrophobicContact CD2-CG 3.88Å; L160-Q180 HydrophobicContact CG-CG 4.08Å; L160-W183 HydrophobicContact CD1-CB 3.44Å; L160-W183 VanDerWaalsContact CD1-CB 3.44Å; L160-W183 HydrophobicContact CD1-CG 4.32Å; L160-H184 HydrophobicContact CD2-CB 3.87Å; L160-L187 HydrophobicContact CB-CD1 4.16Å
161I95.8Very high90.3Very high3 Ų339.8 Ų39.82%0.01519%0.193CC..EExtended strand (participates in β ladder)trans-125.2127.1-171.1-52.5174.2000109.5L125 M128 Y131 Y170 Y171L125-I161 HydrophobicContact CB-CB 4.29Å; L125-I161 PolarHBondContact N-O 3.27Å; L125-I161 PolarHBondContact O-N 3.02Å; M128-I161 HydrophobicContact SD-CD1 3.84Å; Y131-I161 HydrophobicContact CD1-CD1 4.2Å; Y131-I161 HydrophobicContact CD2-CD1 4.38Å; Y131-I161 HydrophobicContact CD2-CG2 3.59Å; Y131-I161 HydrophobicContact CE2-CG2 3.94Å; Y131-I161 HydrophobicContact CG-CD1 3.82Å; Y131-I161 HydrophobicContact CG-CG2 4.12Å; I161-Y170 WeakPolarHBondContact CA-O 3.44Å; I161-Y171 HydrophobicContact CD1-CD1 4.38Å; I161-Y171 HydrophobicContact CG1-CD1 4.24Å; I161-Y171 HydrophobicContact CG2-CD1 3.83Å; I161-Y171 HydrophobicContact CG2-CE1 4.15Å
162L96.6Very high91.5Very high0 Ų037.4 Ų37.40%018%0.182CC..EExtended strand (participates in β ladder)trans-95.6108.6168-66.8179.6000108.4I98 Y122 A124 H169 Y170 F172 L187I98-L162 HydrophobicContact CD1-CD1 4.14Å; Y122-L162 HydrophobicContact CD1-CB 3.74Å; Y122-L162 HydrophobicContact CE1-CB 4.26Å; A124-L162 HydrophobicContact CB-CD2 4.05Å; L162-H169 VanDerWaalsContact O-CA 3.24Å; L162-H169 WeakPolarHBondContact O-CA 3.46Å; L162-Y170 HydrophobicContact CB-CD2 4.41Å; L162-Y170 PolarHBondContact N-O 2.95Å; L162-Y170 PolarHBondContact O-N 3.45Å; L162-F172 HydrophobicContact CD1-CE2 4.12Å; L162-F172 HydrophobicContact CG-CE2 4.39Å; L162-L187 HydrophobicContact CD1-CD2 4.29Å; L162-L187 HydrophobicContact CD2-CB 4.29Å; L162-L187 HydrophobicContact CD2-CD1 4.22Å; L162-L187 HydrophobicContact CD2-CD2 4.27Å; L162-L187 HydrophobicContact CD2-CG 4.5Å
163W94.9Very high92.3Very high28 Ų2837.1 Ų37.111%0.10618%0.181CC..EExtended strand (participates in β ladder)trans-100.2145.3175.8174.798.9000110.5Y122 K123 L125 Y131 L134 P165 H169Y122-W163 CarbonylContact C-O 3.56Å; Y122-W163 WeakPolarHBondContact CA-O 3.45Å; Y122-W163 WeakPolarHBondContact CD1-O 3.32Å; K123-W163 HydrophobicContact CB-CE3 4.15Å; K123-W163 HydrophobicContact CD-CE3 4.13Å; K123-W163 HydrophobicContact CD-CZ3 3.98Å; K123-W163 HydrophobicContact CG-CE3 4.06Å; K123-W163 HydrophobicContact CG-CZ3 4.26Å; K123-W163 PolarHBondContact N-O 2.97Å; K123-W163 PolarHBondContact O-N 3.46Å; L125-W163 HydrophobicContact CD1-CB 3.84Å; L125-W163 HydrophobicContact CG-CB 4.41Å; Y131-W163 HydrophobicContact CD2-CB 4.4Å; Y131-W163 AromaticContact CE2-CD1 3.82Å; L134-W163 HydrophobicContact CB-CZ2 4.32Å; L134-W163 HydrophobicContact CD1-CD2 4.17Å; L134-W163 HydrophobicContact CD1-CG 4.28Å; W163-P165 HydrophobicContact CH2-CB 3.76Å; W163-P165 HydrophobicContact CH2-CG 4.28Å; W163-P165 HydrophobicContact CZ2-CB 4.27Å; W163-P165 HydrophobicContact CZ3-CB 4.31Å; W163-P165 HydrophobicContact CZ3-CG 4.36Å; W163-H169 AromaticContact CD1-CE1 3.32Å; W163-H169 AromaticContact CD1-NE2 3.45Å; W163-H169 AromaticContact CG-NE2 3.88Å; W163-H169 AromaticContact NE1-CE1 3.7Å; W163-H169 AromaticContact NE1-NE2 3.78Å
164H94.6Very high92.9Very high1 Ų128.9 Ų28.91%0.00515%0.145CC..  trans-144.4136.5174.7-175.6-90.5000108.9A120 G121 Y122 Y166 A167 H169 Y276A120-H164 PolarHBondContact O-CD2 2.73Å; A120-H164 PolarHBondContact O-NE2 2.92Å; G121-H164 PolarHBondContact O-CD2 2.9Å; G121-H164 VanDerWaalsContact O-CD2 3.24Å; Y122-H164 HydrophobicContact CD1-CB 3.66Å; Y122-H164 HydrophobicContact CD2-CB 4.2Å; Y122-H164 AromaticContact CD2-CD2 3.7Å; Y122-H164 HydrophobicContact CE1-CB 3.55Å; Y122-H164 HydrophobicContact CE2-CB 4.11Å; Y122-H164 AromaticContact CE2-CD2 3.82Å; Y122-H164 HydrophobicContact CG-CB 4Å; H164-Y166 AromaticContact CE1-CD2 3.93Å; H164-Y166 PolarHBondContact ND1-N 3.43Å; H164-Y166 PolarHBondContact O-N 3.31Å; H164-A167 HydrophobicContact CB-CB 4.07Å; H164-A167 WeakPolarHBondContact ND1-CB 3.49Å; H164-A167 PolarHBondContact ND1-N 2.8Å; H164-A167 VanDerWaalsContact ND1-N 3.11Å; H164-H169 PolarHBondContact N-CD2 3.29Å; H164-H169 PolarHBondContact N-NE2 3.4Å; H164-H169 PolarHBondContact O-NE2 3.41Å; H164-H169 VanDerWaalsContact O-NE2 3.08Å; H164-Y276 AromaticContact CE1-CE2 3.73Å
165P91.6Very high93.3Very high31 Ų3131.5 Ų31.520%0.20116%0.16CC..SBendtrans-62.4-16.6-172.623-32.6000114.6W163 M228 Q246W163-P165 HydrophobicContact CH2-CB 3.76Å; W163-P165 HydrophobicContact CH2-CG 4.28Å; W163-P165 HydrophobicContact CZ2-CB 4.27Å; W163-P165 HydrophobicContact CZ3-CB 4.31Å; W163-P165 HydrophobicContact CZ3-CG 4.36Å; P165-M228 HydrophobicContact CG-CE 3.67Å; P165-M228 HydrophobicContact CG-SD 3.62Å; P165-Q246 PolarHBondContact O-NE2 3.48Å
166Y92.6Very high93.8Very high23 Ų2330.5 Ų30.59%0.0915%0.152CC..SBendtrans-128.3-17.3-175.5-50.4-52.3000116.2H164 M228 N239 L242 Q246 S272 D273 Y276H164-Y166 AromaticContact CE1-CD2 3.93Å; H164-Y166 PolarHBondContact ND1-N 3.43Å; H164-Y166 PolarHBondContact O-N 3.31Å; Y166-M228 HydrophobicContact CD2-CE 4.47Å; Y166-M228 HydrophobicContact CE2-CE 4.21Å; Y166-M228 HydrophobicContact CE2-CG 4.43Å; Y166-N239 HydrophobicContact CE2-CB 4.03Å; Y166-L242 HydrophobicContact CD1-CB 3.9Å; Y166-L242 HydrophobicContact CD1-CD1 4.37Å; Y166-L242 HydrophobicContact CD2-CB 4.21Å; Y166-L242 HydrophobicContact CD2-CD1 4.12Å; Y166-L242 HydrophobicContact CE1-CB 3.83Å; Y166-L242 HydrophobicContact CE2-CB 4.15Å; Y166-L242 HydrophobicContact CG-CB 4.11Å; Y166-L242 HydrophobicContact CG-CD1 3.89Å; Y166-Q246 HydrophobicContact CD1-CB 4.34Å; Y166-Q246 HydrophobicContact CD1-CG 4.08Å; Y166-Q246 HydrophobicContact CE1-CB 4.18Å; Y166-Q246 HydrophobicContact CE1-CG 4.25Å; Y166-S272 WeakPolarHBondContact CA-OG 3.24Å; Y166-S272 CarbonylContact O-C 3.6Å; Y166-S272 WeakPolarHBondContact O-CB 3.4Å; Y166-S272 PolarHBondContact O-OG 2.85Å; Y166-D273 PolarHBondContact O-N 3.3Å; Y166-Y276 HydrophobicContact CD2-CD2 4.43Å; Y166-Y276 HydrophobicContact CG-CD2 4.43Å; Y166-Y276 WeakPolarHBondContact O-CB 3.42Å
167A93Very high94.1Very high2 Ų233.2 Ų33.22%0.01716%0.162CC..SBendtrans-123.3173.3-161.400000112.7H164 H169 Y276H164-A167 HydrophobicContact CB-CB 4.07Å; H164-A167 WeakPolarHBondContact ND1-CB 3.49Å; H164-A167 PolarHBondContact ND1-N 2.8Å; H164-A167 VanDerWaalsContact ND1-N 3.11Å; A167-H169 PolarHBondContact O-CD2 2.87Å; A167-H169 PolarHBondContact O-N 3.33Å; A167-Y276 HydrophobicContact CB-CD1 3.79Å; A167-Y276 HydrophobicContact CB-CE1 4.12Å; A167-Y276 HydrophobicContact CB-CG 4.06Å
168R91.7Very high94.3Very high61 Ų6133.4 Ų33.423%0.2316%0.161CC..  trans-58.5123.6-177.2-170175.9-160.8-176.27.6112E80 E81 Y122 Y170 D273E80-R168 IonicContact OE2-CZ 2.66Å; E80-R168 IonicContact OE2-NE 2.59Å; E80-R168 PolarHBondContact OE2-NE 3.25Å; E80-R168 IonicContact OE2-NH2 2.81Å; E80-R168 PolarHBondContact OE2-NH2 3.13Å; E81-R168 IonicContact OE1-CZ 2.69Å; E81-R168 IonicContact OE1-NH1 2.76Å; E81-R168 IonicContact OE1-NH2 2.66Å; E81-R168 PolarHBondContact OE1-NH2 3.01Å; Y122-R168 WeakPolarHBondContact CE1-O 3.37Å; Y122-R168 PolarHBondContact OH-O 3.03Å; R168-Y170 WeakPolarHBondContact O-CD2 3.45Å; R168-Y170 WeakPolarHBondContact O-CE2 3.5Å; R168-D273 HydrophobicContact CB-CB 4.25Å; R168-D273 WeakPolarHBondContact CB-OD1 3.28Å; R168-D273 PolarHBondContact N-OD1 3.33Å
169H93.3Very high94.3Very high7 Ų734.7 Ų34.73%0.03217%0.167CC..  trans-75142.6170.3-56.4166.5000111.6Y131 L162 W163 H164 A167 Y171 M269Y131-H169 AromaticContact CE2-CE1 3.89Å; Y131-H169 AromaticContact CE2-ND1 3.36Å; Y131-H169 WeakPolarHBondContact CE2-ND1 3.5Å; Y131-H169 AromaticContact CZ-ND1 3.57Å; Y131-H169 PolarHBondContact OH-ND1 3.24Å; L162-H169 VanDerWaalsContact O-CA 3.24Å; L162-H169 WeakPolarHBondContact O-CA 3.46Å; W163-H169 AromaticContact CD1-CE1 3.32Å; W163-H169 AromaticContact CD1-NE2 3.45Å; W163-H169 AromaticContact CG-NE2 3.88Å; W163-H169 AromaticContact NE1-CE1 3.7Å; W163-H169 AromaticContact NE1-NE2 3.78Å; H164-H169 PolarHBondContact N-CD2 3.29Å; H164-H169 PolarHBondContact N-NE2 3.4Å; H164-H169 PolarHBondContact O-NE2 3.41Å; H164-H169 VanDerWaalsContact O-NE2 3.08Å; A167-H169 PolarHBondContact O-CD2 2.87Å; A167-H169 PolarHBondContact O-N 3.33Å; H169-Y171 HydrophobicContact CB-CE1 4.38Å; H169-Y171 HydrophobicContact CB-CE2 4.27Å; H169-M269 PolarHBondContact CE1-SD 3.48Å
170Y94.1Very high94.3Very high33 Ų3335.1 Ų35.113%0.12917%0.168CC..EExtended strand (participates in β ladder)trans-114.8141.1174.6-57.1-93.2000110.4I115 I117 Y122 I161 L162 R168I115-Y170 HydrophobicContact CG2-CE1 3.99Å; I117-Y170 HydrophobicContact CD1-CD1 3.6Å; I117-Y170 HydrophobicContact CD1-CD2 3.85Å; I117-Y170 HydrophobicContact CD1-CE1 3.63Å; I117-Y170 HydrophobicContact CD1-CE2 3.89Å; I117-Y170 HydrophobicContact CD1-CG 3.7Å; I117-Y170 HydrophobicContact CG1-CD1 4.43Å; I117-Y170 HydrophobicContact CG1-CE1 3.96Å; I117-Y170 HydrophobicContact CG1-CE2 4.11Å; I117-Y170 HydrophobicContact CG2-CD2 4.21Å; I117-Y170 HydrophobicContact CG2-CE2 3.7Å; Y122-Y170 HydrophobicContact CE1-CD2 4.11Å; Y122-Y170 HydrophobicContact CE1-CE2 4.18Å; I161-Y170 WeakPolarHBondContact CA-O 3.44Å; L162-Y170 HydrophobicContact CB-CD2 4.41Å; L162-Y170 PolarHBondContact N-O 2.95Å; L162-Y170 PolarHBondContact O-N 3.45Å; R168-Y170 WeakPolarHBondContact O-CD2 3.45Å; R168-Y170 WeakPolarHBondContact O-CE2 3.5Å
171Y93.9Very high94.2Very high22 Ų2241.4 Ų41.49%0.08620%0.195CC..EExtended strand (participates in β ladder)trans-126.6124.8-177.2-39-97.8000109.3Y78 Y131 F151 I152 I161 H169Y78-Y171 HydrophobicContact CD1-CD2 4.22Å; Y78-Y171 PolarHBondContact N-O 3.45Å; Y131-Y171 AromaticContact CE1-CE1 3.9Å; Y131-Y171 HydrophobicContact CE1-CE1 3.9Å; Y131-Y171 HydrophobicContact CE2-CE1 4.18Å; Y131-Y171 AromaticContact CZ-CE1 3.67Å; Y131-Y171 PolarHBondContact OH-OH 3.48Å; F151-Y171 HydrophobicContact CZ-CE1 4.46Å; I152-Y171 HydrophobicContact CD1-CD1 3.52Å; I152-Y171 HydrophobicContact CD1-CD2 3.62Å; I152-Y171 HydrophobicContact CD1-CE1 3.51Å; I152-Y171 HydrophobicContact CD1-CE2 3.64Å; I152-Y171 HydrophobicContact CD1-CG 3.56Å; I161-Y171 HydrophobicContact CD1-CD1 4.38Å; I161-Y171 HydrophobicContact CG1-CD1 4.24Å; I161-Y171 HydrophobicContact CG2-CD1 3.83Å; I161-Y171 HydrophobicContact CG2-CE1 4.15Å; H169-Y171 HydrophobicContact CB-CE1 4.38Å; H169-Y171 HydrophobicContact CB-CE2 4.27Å
172F95.8Very high94.1Very high1 Ų145.3 Ų45.30%0.00421%0.212CC..EExtended strand (participates in β ladder)trans-124.4163.8177.6-51.2-75.5000110.1L75 F76 Q77 L100 I117 P159 L160 L162L75-F172 HydrophobicContact CB-CD1 4.22Å; L75-F172 HydrophobicContact CD1-CB 4.15Å; L75-F172 HydrophobicContact CD1-CD1 4.08Å; L75-F172 HydrophobicContact CD1-CD2 4.43Å; L75-F172 HydrophobicContact CD1-CG 3.97Å; F76-F172 CarbonylContact O-C 3.57Å; F76-F172 WeakPolarHBondContact O-CA 3.43Å; Q77-F172 HydrophobicContact CB-CD1 3.93Å; Q77-F172 HydrophobicContact CB-CE1 3.98Å; Q77-F172 HydrophobicContact CG-CD1 4.17Å; Q77-F172 HydrophobicContact CG-CE1 3.85Å; L100-F172 HydrophobicContact CD2-CE1 3.66Å; L100-F172 HydrophobicContact CD2-CZ 4.2Å; I117-F172 HydrophobicContact CD1-CZ 4.33Å; P159-F172 WeakPolarHBondContact CA-O 3.4Å; L160-F172 HydrophobicContact CB-CB 4.17Å; L160-F172 PolarHBondContact N-O 3.12Å; L160-F172 PolarHBondContact O-N 2.94Å; L162-F172 HydrophobicContact CD1-CE2 4.12Å; L162-F172 HydrophobicContact CG-CE2 4.39Å
173C94.2Very high94.1Very high0 Ų046 Ų460%022%0.215CC..EExtended strand (participates in β ladder)trans-148.4155.6166.768.80000111.4F76 W85 P155 F158F76-C173 VanDerWaalsContact CB-SG 3.57Å; F76-C173 PolarHBondContact N-O 3.2Å; F76-C173 PolarHBondContact O-N 3.05Å; W85-C173 HydrophobicContact CH2-CB 4.22Å; W85-C173 HydrophobicContact CZ3-CB 4.05Å; P155-C173 WeakPolarHBondContact CD-SG 3.45Å; F158-C173 WeakPolarHBondContact O-CA 3.26Å
174V95.3Very high94.2Very high5 Ų546.2 Ų46.23%0.0322%0.217CC..EExtended strand (participates in β ladder)trans-126.3170179.6-66.40000110.7L75 T156 F158 L160 T176 E179 Q180L75-V174 HydrophobicContact CD2-CG1 3.38Å; T156-V174 WeakPolarHBondContact CB-O 3.26Å; T156-V174 WeakPolarHBondContact CG2-O 3.32Å; T156-V174 PolarHBondContact OG1-O 3.15Å; F158-V174 HydrophobicContact CB-CG2 3.68Å; F158-V174 PolarHBondContact O-N 2.79Å; F158-V174 VanDerWaalsContact O-N 3.12Å; L160-V174 HydrophobicContact CD1-CG1 4.11Å; V174-T176 WeakPolarHBondContact CG2-O 3.43Å; V174-E179 HydrophobicContact CB-CB 3.76Å; V174-E179 HydrophobicContact CG1-CB 4.11Å; V174-E179 HydrophobicContact CG2-CB 3.96Å; V174-Q180 HydrophobicContact CG2-CB 3.7Å; V174-Q180 HydrophobicContact CG2-CG 4.17Å
175V93.4Very high94.2Very high87 Ų8746.3 Ų46.353%0.52722%0.218SC..SBendtrans-88.9-29-173.4-173.80000111.8F76 F158 E179F76-V175 HydrophobicContact CE2-CG2 4.1Å; F158-V175 VanDerWaalsContact CD2-O 3.31Å; F158-V175 WeakPolarHBondContact CD2-O 3.16Å; F158-V175 VanDerWaalsContact CE2-O 3.26Å; F158-V175 WeakPolarHBondContact CE2-O 3.22Å; V175-E179 WeakPolarHBondContact CA-OE2 3.48Å; V175-E179 PolarHBondContact N-OE2 3.46Å
176T94.8Very high94.4Very high59 Ų5945 Ų4536%0.36221%0.21SC..SBendtrans-128157.9-175.971.20000113.5V174 K178 E179 Q180V174-T176 WeakPolarHBondContact CG2-O 3.43Å; T176-K178 VanDerWaalsContact C-N 3.31Å; T176-K178 PolarHBondContact O-N 3.36Å; T176-E179 PolarHBondContact N-OE2 2.83Å; T176-E179 PolarHBondContact O-N 2.98Å; T176-E179 WeakPolarHBondContact OG1-CB 3.49Å; T176-E179 VanDerWaalsContact OG1-CG 3.24Å; T176-E179 WeakPolarHBondContact OG1-CG 3.5Å; T176-E179 PolarHBondContact OG1-N 2.98Å; T176-E179 VanDerWaalsContact OG1-N 3.12Å; T176-E179 PolarHBondContact OG1-OE2 3.46Å; T176-Q180 PolarHBondContact O-N 2.9Å
177E94.7Very high94.6Very high97 Ų9744 Ų4445%0.45321%0.206SC..Hα-helixtrans-64.9-33.6173.1-163.4-165.5144.300112.5F158 Q180 K181F158-E177 HydrophobicContact CD1-CB 4.21Å; F158-E177 HydrophobicContact CE1-CB 3.69Å; F158-E177 HydrophobicContact CE1-CG 4.15Å; F158-E177 HydrophobicContact CZ-CB 4.08Å; E177-Q180 WeakPolarHBondContact O-CB 3.38Å; E177-Q180 PolarHBondContact O-N 3.31Å; E177-Q180 VanDerWaalsContact O-N 3.15Å; E177-K181 PolarHBondContact O-N 3Å; E177-K181 WeakPolarHBondContact OE1-CE 3.26Å; E177-K181 IonicContact OE1-NZ 2.71Å; E177-K181 PolarHBondContact OE1-NZ 3.43Å
178K93.8Very high94.7Very high181 Ų18146 Ų4679%0.78722%0.215SC*.Hα-helixtrans-63-46.7175.7-71-170.6177.6-174.40111.1T176 Q180 K181 K182T176-K178 VanDerWaalsContact C-N 3.31Å; T176-K178 PolarHBondContact O-N 3.36Å; K178-Q180 VanDerWaalsContact C-N 3.28Å; K178-Q180 PolarHBondContact O-N 2.94Å; K178-K181 PolarHBondContact O-N 3.34Å; K178-K182 WeakPolarHBondContact O-CB 3.43Å; K178-K182 PolarHBondContact O-N 3.03Å
179E94.4Very high94.8Very high75 Ų7543.3 Ų43.335%0.3521%0.205SC..Hα-helixtrans-60-39.2171.2-70.3166.5143.200111.5V174 V175 T176 K182 W183V174-E179 HydrophobicContact CB-CB 3.76Å; V174-E179 HydrophobicContact CG1-CB 4.11Å; V174-E179 HydrophobicContact CG2-CB 3.96Å; V175-E179 WeakPolarHBondContact CA-OE2 3.48Å; V175-E179 PolarHBondContact N-OE2 3.46Å; T176-E179 PolarHBondContact N-OE2 2.83Å; T176-E179 PolarHBondContact O-N 2.98Å; T176-E179 WeakPolarHBondContact OG1-CB 3.49Å; T176-E179 VanDerWaalsContact OG1-CG 3.24Å; T176-E179 WeakPolarHBondContact OG1-CG 3.5Å; T176-E179 PolarHBondContact OG1-N 2.98Å; T176-E179 VanDerWaalsContact OG1-N 3.12Å; T176-E179 PolarHBondContact OG1-OE2 3.46Å; E179-K182 PolarHBondContact O-N 3.49Å; E179-W183 WeakPolarHBondContact O-CB 3.36Å; E179-W183 PolarHBondContact O-N 2.92Å
180Q95.3Very high94.9Very high22 Ų2243 Ų4310%0.10320%0.204CC..Hα-helixtrans-63.9-46-178.4-160.8-170.11700110.8T126 F158 P159 L160 V174 T176 E177 K178 H184T126-Q180 PolarHBondContact O-NE2 3.38Å; T126-Q180 VanDerWaalsContact O-NE2 3.14Å; F158-Q180 HydrophobicContact CB-CB 4.1Å; F158-Q180 HydrophobicContact CB-CG 4.08Å; P159-Q180 PolarHBondContact O-NE2 3.12Å; L160-Q180 HydrophobicContact CD2-CG 3.88Å; L160-Q180 HydrophobicContact CG-CG 4.08Å; V174-Q180 HydrophobicContact CG2-CB 3.7Å; V174-Q180 HydrophobicContact CG2-CG 4.17Å; T176-Q180 PolarHBondContact O-N 2.9Å; E177-Q180 WeakPolarHBondContact O-CB 3.38Å; E177-Q180 PolarHBondContact O-N 3.31Å; E177-Q180 VanDerWaalsContact O-N 3.15Å; K178-Q180 VanDerWaalsContact C-N 3.28Å; K178-Q180 PolarHBondContact O-N 2.94Å; Q180-H184 WeakPolarHBondContact O-CB 3.45Å; Q180-H184 PolarHBondContact O-N 3.29Å
181K94Very high94.9Very high131 Ų13142.3 Ų42.357%0.5720%0.202SC*.Hα-helixtrans-64.1-44.4176-72.5170.8171.5171.80111.8E177 K178 H184 A185E177-K181 PolarHBondContact O-N 3Å; E177-K181 WeakPolarHBondContact OE1-CE 3.26Å; E177-K181 IonicContact OE1-NZ 2.71Å; E177-K181 PolarHBondContact OE1-NZ 3.43Å; K178-K181 PolarHBondContact O-N 3.34Å; K181-H184 PolarHBondContact O-N 3.27Å; K181-A185 PolarHBondContact O-N 2.73Å; K181-A185 VanDerWaalsContact O-N 3.12Å
182K94.8Very high94.9Very high86 Ų8641.8 Ų41.837%0.37420%0.2SC..Hα-helixtrans-59.2-51.4176.8-170.4178.1-172.5-177.10111.5F71 K178 E179 V186 V400F71-K182 HydrophobicContact CZ-CD 4.22Å; F71-K182 HydrophobicContact CZ-CG 4.4Å; K178-K182 WeakPolarHBondContact O-CB 3.43Å; K178-K182 PolarHBondContact O-N 3.03Å; E179-K182 PolarHBondContact O-N 3.49Å; K182-V186 WeakPolarHBondContact O-CG2 3.25Å; K182-V186 PolarHBondContact O-N 2.86Å; K182-V400 HydrophobicContact CG-CG2 4.04Å
183W96.1Very high94.7Very high13 Ų1344.3 Ų44.35%0.04921%0.212CC..Hα-helixtrans-72-32.1179.1-82.3110.6000113.4F71 L75 V90 I92 L160 E179 V186 L187F71-W183 HydrophobicContact CD1-CE3 4.21Å; F71-W183 AromaticContact CD1-CH2 3.71Å; F71-W183 HydrophobicContact CD1-CH2 3.71Å; F71-W183 HydrophobicContact CD1-CZ2 4.3Å; F71-W183 AromaticContact CD1-CZ3 3.67Å; F71-W183 HydrophobicContact CD1-CZ3 3.67Å; F71-W183 HydrophobicContact CE1-CD2 4.11Å; F71-W183 AromaticContact CE1-CE2 3.92Å; F71-W183 HydrophobicContact CE1-CE3 4.03Å; F71-W183 AromaticContact CE1-CH2 3.58Å; F71-W183 HydrophobicContact CE1-CH2 3.58Å; F71-W183 AromaticContact CE1-CZ2 3.69Å; F71-W183 HydrophobicContact CE1-CZ2 3.69Å; F71-W183 AromaticContact CE1-CZ3 3.77Å; F71-W183 HydrophobicContact CE1-CZ3 3.77Å; L75-W183 HydrophobicContact CD1-CD2 4Å; L75-W183 HydrophobicContact CD1-CE3 3.93Å; L75-W183 HydrophobicContact CD1-CH2 4.38Å; L75-W183 HydrophobicContact CD1-CZ2 4.41Å; L75-W183 HydrophobicContact CD1-CZ3 4.13Å; L75-W183 HydrophobicContact CD2-CD2 3.8Å; L75-W183 HydrophobicContact CD2-CG 3.81Å; L75-W183 HydrophobicContact CD2-CZ2 4.25Å; L75-W183 HydrophobicContact CG-CD2 3.97Å; L75-W183 HydrophobicContact CG-CE3 4.31Å; L75-W183 HydrophobicContact CG-CG 4.49Å; L75-W183 HydrophobicContact CG-CH2 4.24Å; L75-W183 HydrophobicContact CG-CZ2 3.84Å; L75-W183 HydrophobicContact CG-CZ3 4.44Å; V90-W183 HydrophobicContact CB-CH2 3.73Å; V90-W183 HydrophobicContact CB-CZ3 4.28Å; V90-W183 HydrophobicContact CG1-CH2 3.8Å; V90-W183 HydrophobicContact CG1-CZ3 3.85Å; I92-W183 HydrophobicContact CD1-CZ3 4.34Å; L160-W183 HydrophobicContact CD1-CB 3.44Å; L160-W183 VanDerWaalsContact CD1-CB 3.44Å; L160-W183 HydrophobicContact CD1-CG 4.32Å; E179-W183 WeakPolarHBondContact O-CB 3.36Å; E179-W183 PolarHBondContact O-N 2.92Å; W183-V186 HydrophobicContact CE3-CB 4.24Å; W183-V186 HydrophobicContact CE3-CG1 3.97Å; W183-V186 HydrophobicContact CZ3-CG1 4.06Å; W183-V186 PolarHBondContact O-N 3.39Å; W183-L187 WeakPolarHBondContact O-CB 3.2Å; W183-L187 VanDerWaalsContact O-CG 3.27Å; W183-L187 WeakPolarHBondContact O-CG 3.17Å; W183-L187 PolarHBondContact O-N 2.94Å
184H96.1Very high94.7Very high34 Ų3444.5 Ų44.516%0.15721%0.213CC..Hα-helixtrans-62.3-45175.2-177.2-127.7000111.3A124 T126 L160 Q180 K181 L187 Q188A124-H184 PolarHBondContact O-NE2 2.91Å; T126-H184 HydrophobicContact CG2-CB 4.01Å; L160-H184 HydrophobicContact CD2-CB 3.87Å; Q180-H184 WeakPolarHBondContact O-CB 3.45Å; Q180-H184 PolarHBondContact O-N 3.29Å; K181-H184 PolarHBondContact O-N 3.27Å; H184-L187 PolarHBondContact O-N 2.95Å; H184-Q188 PolarHBondContact CE1-NE2 3.06Å; H184-Q188 VanDerWaalsContact CE1-NE2 3.27Å; H184-Q188 WeakPolarHBondContact O-CG 3.33Å; H184-Q188 PolarHBondContact O-N 3Å
185A95Very high94.6Very high3 Ų345.9 Ų45.93%0.02522%0.22CC..Hα-helixtrans-60.8-46.4173.800000111.9K181 L187 Q188 D189 P399 Q403K181-A185 PolarHBondContact O-N 2.73Å; K181-A185 VanDerWaalsContact O-N 3.12Å; A185-L187 VanDerWaalsContact C-N 3.32Å; A185-L187 PolarHBondContact O-N 3.07Å; A185-Q188 PolarHBondContact O-N 3.29Å; A185-D189 PolarHBondContact O-N 3Å; A185-P399 HydrophobicContact CB-CB 4.33Å; A185-P399 WeakPolarHBondContact CB-O 3.4Å; A185-Q403 HydrophobicContact CB-CG 4.42Å
186V95.8Very high94.5Very high4 Ų444.5 Ų44.52%0.02421%0.21CC..Hα-helixtrans-55.1-44.5173.7169.80000112F71 I92 K182 W183 D189 C190 P399F71-V186 HydrophobicContact CB-CG1 4.28Å; F71-V186 HydrophobicContact CB-CG2 4.36Å; F71-V186 HydrophobicContact CD1-CB 4.48Å; F71-V186 HydrophobicContact CD1-CG1 3.96Å; F71-V186 HydrophobicContact CD1-CG2 3.76Å; F71-V186 HydrophobicContact CD2-CG2 4.22Å; F71-V186 HydrophobicContact CE1-CG2 4.09Å; F71-V186 HydrophobicContact CG-CG1 4.31Å; F71-V186 HydrophobicContact CG-CG2 3.84Å; F71-V186 HydrophobicContact CZ-CG2 4.48Å; I92-V186 HydrophobicContact CD1-CG1 3.32Å; K182-V186 WeakPolarHBondContact O-CG2 3.25Å; K182-V186 PolarHBondContact O-N 2.86Å; W183-V186 HydrophobicContact CE3-CB 4.24Å; W183-V186 HydrophobicContact CE3-CG1 3.97Å; W183-V186 HydrophobicContact CZ3-CG1 4.06Å; W183-V186 PolarHBondContact O-N 3.39Å; V186-D189 PolarHBondContact O-N 2.84Å; V186-C190 PolarHBondContact O-N 3Å; V186-C190 PolarHBondContact O-SG 2.93Å; V186-P399 HydrophobicContact CG2-CB 3.79Å; V186-P399 HydrophobicContact CG2-CG 3.61Å
187L96.6Very high94.2Very high2 Ų244 Ų441%0.0121%0.212CC..Hα-helixtrans-69.1-38.2178.5-69179.8000112.3I98 A124 L160 L162 W183 H184 A185 D189 C190 V191I98-L187 HydrophobicContact CD1-CD2 3.38Å; A124-L187 HydrophobicContact CB-CB 3.85Å; L160-L187 HydrophobicContact CB-CD1 4.16Å; L162-L187 HydrophobicContact CD1-CD2 4.29Å; L162-L187 HydrophobicContact CD2-CB 4.29Å; L162-L187 HydrophobicContact CD2-CD1 4.22Å; L162-L187 HydrophobicContact CD2-CD2 4.27Å; L162-L187 HydrophobicContact CD2-CG 4.5Å; W183-L187 WeakPolarHBondContact O-CB 3.2Å; W183-L187 VanDerWaalsContact O-CG 3.27Å; W183-L187 WeakPolarHBondContact O-CG 3.17Å; W183-L187 PolarHBondContact O-N 2.94Å; H184-L187 PolarHBondContact O-N 2.95Å; A185-L187 VanDerWaalsContact C-N 3.32Å; A185-L187 PolarHBondContact O-N 3.07Å; L187-D189 VanDerWaalsContact C-N 3.34Å; L187-C190 PolarHBondContact O-N 3.48Å; L187-V191 WeakPolarHBondContact O-CG2 3.27Å; L187-V191 PolarHBondContact O-N 3.03Å
188Q95Very high94Very high44 Ų4441.1 Ų41.121%0.20620%0.199CC..Hα-helixtrans-63.7-39.3173.4-75.5-174.9-35.200111.8A124 H184 A185 V191 R192A124-Q188 HydrophobicContact CB-CG 4.18Å; H184-Q188 PolarHBondContact CE1-NE2 3.06Å; H184-Q188 VanDerWaalsContact CE1-NE2 3.27Å; H184-Q188 WeakPolarHBondContact O-CG 3.33Å; H184-Q188 PolarHBondContact O-N 3Å; A185-Q188 PolarHBondContact O-N 3.29Å; Q188-V191 WeakPolarHBondContact O-CB 3.39Å; Q188-V191 PolarHBondContact O-N 3.09Å; Q188-R192 WeakPolarHBondContact O-CB 3.35Å; Q188-R192 PolarHBondContact O-N 3.5Å
189D93.8Very high93.5Very high4 Ų434.2 Ų34.22%0.02117%0.174CC..Hα-helixtrans-67.6-40.8176.5-74.73.1000111.9Y96 A185 V186 L187 V191 R192 H193 P399Y96-D189 HydrophobicContact CE1-CB 4.14Å; A185-D189 PolarHBondContact O-N 3Å; V186-D189 PolarHBondContact O-N 2.84Å; L187-D189 VanDerWaalsContact C-N 3.34Å; D189-V191 VanDerWaalsContact C-N 3.33Å; D189-V191 PolarHBondContact O-N 3.07Å; D189-R192 PolarHBondContact O-N 2.9Å; D189-R192 IonicContact OD1-CZ 3.73Å; D189-R192 IonicContact OD1-NH1 3.3Å; D189-R192 PolarHBondContact OD1-NH1 2.95Å; D189-R192 IonicContact OD1-NH2 2.84Å; D189-R192 PolarHBondContact OD1-NH2 3.09Å; D189-H193 WeakPolarHBondContact O-CB 3.4Å; D189-H193 PolarHBondContact O-N 3.35Å; D189-P399 WeakPolarHBondContact OD2-CA 3.35Å
190C95.3Very high92.7Very high1 Ų136.3 Ų36.31%0.00718%0.184CC..Hα-helixtrans-60.6-41.4172.5-63.90000112.3I98 C119 V186 L187 S194I98-C190 HydrophobicContact CD1-CB 4.2Å; I98-C190 HydrophobicContact CG1-CB 4.26Å; C119-C190 HydrophobicContact CB-CB 4.23Å; V186-C190 PolarHBondContact O-N 3Å; V186-C190 PolarHBondContact O-SG 2.93Å; L187-C190 PolarHBondContact O-N 3.48Å; C190-S194 WeakPolarHBondContact O-CB 3.44Å; C190-S194 PolarHBondContact O-N 3.13Å; C190-S194 PolarHBondContact O-OG 2.78Å
191V95.6Very high92.1Very high17 Ų1743.1 Ų43.110%0.10322%0.216CC..Hα-helixtrans-62.4-51.5172.7166.10000110.7C119 Y122 L187 Q188 D189 H193 S194 N195C119-V191 HydrophobicContact CB-CG2 3.96Å; Y122-V191 WeakPolarHBondContact O-CG1 2.95Å; L187-V191 WeakPolarHBondContact O-CG2 3.27Å; L187-V191 PolarHBondContact O-N 3.03Å; Q188-V191 WeakPolarHBondContact O-CB 3.39Å; Q188-V191 PolarHBondContact O-N 3.09Å; D189-V191 VanDerWaalsContact C-N 3.33Å; D189-V191 PolarHBondContact O-N 3.07Å; V191-H193 PolarHBondContact O-N 2.95Å; V191-S194 PolarHBondContact O-N 3.29Å; V191-N195 WeakPolarHBondContact CG1-ND2 3.47Å; V191-N195 WeakPolarHBondContact O-CB 3.4Å; V191-N195 PolarHBondContact O-N 3.04Å; V191-N195 PolarHBondContact O-ND2 2.79Å; V191-N195 PolarHBondContact O-OD1 2.96Å
192R93.4Very high91.7Very high12 Ų1240.4 Ų40.45%0.04521%0.207CC..Hα-helixtrans-61.8-44.9-175.9-159.3-166.5-53.499.112111.9Q188 D189 N195 N196 Y406 I435Q188-R192 WeakPolarHBondContact O-CB 3.35Å; Q188-R192 PolarHBondContact O-N 3.5Å; D189-R192 PolarHBondContact O-N 2.9Å; D189-R192 IonicContact OD1-CZ 3.73Å; D189-R192 IonicContact OD1-NH1 3.3Å; D189-R192 PolarHBondContact OD1-NH1 2.95Å; D189-R192 IonicContact OD1-NH2 2.84Å; D189-R192 PolarHBondContact OD1-NH2 3.09Å; R192-N195 PolarHBondContact O-N 2.75Å; R192-N196 PolarHBondContact O-N 3.04Å; R192-Y406 VanDerWaalsContact NH2-CD2 3.32Å; R192-I435 HydrophobicContact CG-CD1 3.96Å; R192-I435 HydrophobicContact CG-CG1 4.06Å
193H92Very high91.4Very high53 Ų5339 Ų3925%0.24521%0.206CC..Hα-helixtrans-65-47.9174.6-173112.8000111.3Y96 D189 V191 N195 N196Y96-H193 HydrophobicContact CD1-CB 4.01Å; Y96-H193 HydrophobicContact CD2-CB 3.81Å; Y96-H193 AromaticContact CD2-CD2 3.74Å; Y96-H193 AromaticContact CD2-CE1 3.46Å; Y96-H193 VanDerWaalsContact CD2-CE1 3.46Å; Y96-H193 WeakPolarHBondContact CD2-CE1 3.48Å; Y96-H193 AromaticContact CD2-CG 3.3Å; Y96-H193 AromaticContact CD2-ND1 3.11Å; Y96-H193 WeakPolarHBondContact CD2-ND1 3.35Å; Y96-H193 AromaticContact CD2-NE2 3.84Å; Y96-H193 HydrophobicContact CE1-CB 4.42Å; Y96-H193 HydrophobicContact CE2-CB 4.25Å; Y96-H193 AromaticContact CE2-CE1 3.78Å; Y96-H193 AromaticContact CE2-CG 3.83Å; Y96-H193 AromaticContact CE2-ND1 3.24Å; Y96-H193 WeakPolarHBondContact CE2-ND1 3.48Å; Y96-H193 HydrophobicContact CG-CB 3.66Å; Y96-H193 AromaticContact CG-CG 3.62Å; Y96-H193 AromaticContact CG-ND1 3.91Å; D189-H193 WeakPolarHBondContact O-CB 3.4Å; D189-H193 PolarHBondContact O-N 3.35Å; V191-H193 PolarHBondContact O-N 2.95Å; H193-N195 PolarHBondContact O-N 2.98Å; H193-N196 PolarHBondContact O-N 3.24Å; H193-N196 VanDerWaalsContact O-N 3.14Å
194S93.8Very high91.2Very high4 Ų438.5 Ų38.53%0.02820%0.204CC..Hα-helixtrans-62.8-30.3179.5-60.80000113C119 C190 V191 A197 G231C119-S194 VanDerWaalsContact C-CB 3.47Å; C119-S194 PolarHBondContact N-OG 2.91Å; C190-S194 WeakPolarHBondContact O-CB 3.44Å; C190-S194 PolarHBondContact O-N 3.13Å; C190-S194 PolarHBondContact O-OG 2.78Å; V191-S194 PolarHBondContact O-N 3.29Å; S194-A197 WeakPolarHBondContact O-CB 3.25Å; S194-G231 WeakPolarHBondContact O-CA 3.37Å
195N93.4Very high91.1Very high34 Ų3439.1 Ų39.118%0.18221%0.207CC..Hα-helixtrans-69.1-40.7175.6-73.3-12.2000111.6A120 G121 V191 R192 H193 A197 C230 G231A120-N195 WeakPolarHBondContact CA-OD1 3.33Å; G121-N195 PolarHBondContact N-OD1 2.69Å; V191-N195 WeakPolarHBondContact CG1-ND2 3.47Å; V191-N195 WeakPolarHBondContact O-CB 3.4Å; V191-N195 PolarHBondContact O-N 3.04Å; V191-N195 PolarHBondContact O-ND2 2.79Å; V191-N195 PolarHBondContact O-OD1 2.96Å; R192-N195 PolarHBondContact O-N 2.75Å; H193-N195 PolarHBondContact O-N 2.98Å; N195-A197 PolarHBondContact O-N 2.97Å; N195-C230 HydrophobicContact CB-CB 3.76Å; N195-G231 PolarHBondContact O-N 3.18Å
196N90.8Very high91.1Very high59 Ų5939.9 Ų39.932%0.31621%0.212SC..  trans-82.145.8-178.1-157.697.7000112.5R192 H193 I435R192-N196 PolarHBondContact O-N 3.04Å; H193-N196 PolarHBondContact O-N 3.24Å; H193-N196 VanDerWaalsContact O-N 3.14Å; N196-I435 HydrophobicContact CB-CD1 3.92Å; N196-I435 HydrophobicContact CB-CG1 4.31Å
197A89.4Confident91Very high47 Ų4740.5 Ų40.539%0.38822%0.216SC..  trans-9917.2-175.200000114.1S194 N195S194-A197 WeakPolarHBondContact O-CB 3.25Å; N195-A197 PolarHBondContact O-N 2.97Å
198L90Very high91Very high37 Ų3740.4 Ų40.419%0.19422%0.216CC..SBendtrans-97.9120.5162.6-63176.2000107.4T206 F209 T210 M229 P233 I236L198-T206 HydrophobicContact CB-CG2 4.15Å; L198-F209 HydrophobicContact CD2-CD1 4.11Å; L198-F209 HydrophobicContact CD2-CE1 4.36Å; L198-T210 HydrophobicContact CD1-CG2 3.72Å; L198-M229 HydrophobicContact CD1-CE 4.44Å; L198-P233 HydrophobicContact CD2-CG 3.76Å; L198-I236 HydrophobicContact CD1-CD1 3.96Å; L198-I236 HydrophobicContact CD2-CD1 4.18Å; L198-I236 HydrophobicContact CG-CD1 4.18Å
199S83.4Confident91.1Very high37 Ų3738.4 Ų38.426%0.25921%0.206SC..  trans-81.4133178.6-1800000111E201 N202 T206S199-E201 WeakPolarHBondContact OG-CB 3.29Å; S199-E201 WeakPolarHBondContact OG-CG 3.35Å; S199-E201 PolarHBondContact OG-N 2.88Å; S199-E201 VanDerWaalsContact OG-N 3.14Å; S199-E201 PolarHBondContact OG-OE2 3.17Å; S199-N202 PolarHBondContact O-N 2.88Å; S199-T206 WeakPolarHBondContact O-CB 3.44Å; S199-T206 PolarHBondContact O-OG1 3Å
200E77.3Confident91.1Very high118 Ų11838.5 Ų38.555%0.55121%0.207SC*.THydrogen-bonded Turntrans-70.9-21.3171.7-64.9-175.8-149.300111.9N202 R432E200-N202 PolarHBondContact O-N 3.14Å; E200-R432 IonicContact OE1-CZ 3.8Å; E200-R432 IonicContact OE1-NH1 2.81Å; E200-R432 PolarHBondContact OE1-NH1 2.91Å; E200-R432 IonicContact OE1-NH2 2.74Å; E200-R432 PolarHBondContact OE1-NH2 3.1Å; E200-R432 IonicContact OE2-NH2 2.95Å
201E81.5Confident91.1Very high165 Ų16539.3 Ų39.377%0.77121%0.211SC*.THydrogen-bonded Turntrans-65.3-23.8175-53169126.300112.5S199 T203S199-E201 WeakPolarHBondContact OG-CB 3.29Å; S199-E201 WeakPolarHBondContact OG-CG 3.35Å; S199-E201 PolarHBondContact OG-N 2.88Å; S199-E201 VanDerWaalsContact OG-N 3.14Å; S199-E201 PolarHBondContact OG-OE2 3.17Å; E201-T203 PolarHBondContact O-N 3.3Å
202N86.6Confident91.1Very high75 Ų7538.5 Ų38.540%0.40121%0.206SC..  trans-82.162.4-179.8-82.3-35.5000111.3S199 E200 V204 Q205 T206 P207S199-N202 PolarHBondContact O-N 2.88Å; E200-N202 PolarHBondContact O-N 3.14Å; N202-V204 PolarHBondContact O-N 3.01Å; N202-Q205 HydrophobicContact CB-CB 4.35Å; N202-Q205 PolarHBondContact O-N 2.82Å; N202-T206 WeakPolarHBondContact CB-OG1 3.42Å; N202-T206 WeakPolarHBondContact O-CB 3.25Å; N202-T206 PolarHBondContact O-N 2.7Å; N202-P207 WeakPolarHBondContact O-CD 3.17Å
203T88.6Confident91.3Very high55 Ų5538 Ų3834%0.33720%0.204SC..THydrogen-bonded Turntrans-49.4-20.5-173.158.60000116.7F43 E201 P207F43-T203 HydrophobicContact CD2-CG2 4.15Å; F43-T203 WeakPolarHBondContact CD2-OG1 3.39Å; F43-T203 HydrophobicContact CE2-CG2 4.05Å; F43-T203 WeakPolarHBondContact CE2-OG1 3.36Å; E201-T203 PolarHBondContact O-N 3.3Å; T203-P207 WeakPolarHBondContact O-CG 3.42Å
204V92.8Very high91.4Very high3 Ų337.3 Ų37.32%0.01820%0.2CC..THydrogen-bonded Turntrans-110-48.6175.7179.30000111.9Y36 A39 L40 F43 N202 A208Y36-V204 HydrophobicContact CD2-CG1 4.15Å; Y36-V204 HydrophobicContact CE1-CG1 4.28Å; Y36-V204 HydrophobicContact CE2-CG1 3.89Å; Y36-V204 HydrophobicContact CG-CG1 4.44Å; A39-V204 HydrophobicContact CB-CG1 4.11Å; L40-V204 HydrophobicContact CB-CG1 4.1Å; L40-V204 HydrophobicContact CD1-CG1 4.4Å; L40-V204 HydrophobicContact CD1-CG2 3.98Å; F43-V204 HydrophobicContact CB-CG2 3.72Å; F43-V204 HydrophobicContact CD1-CG2 3.89Å; F43-V204 HydrophobicContact CG-CG2 3.79Å; N202-V204 PolarHBondContact O-N 3.01Å; V204-A208 WeakPolarHBondContact O-CB 3.4Å; V204-A208 PolarHBondContact O-N 3.07Å; V204-A208 VanDerWaalsContact O-N 3.15Å
205Q94.2Very high91.3Very high48 Ų4837.9 Ų37.922%0.22420%0.201CC..Hα-helixtrans-70-40-172.6-69.3-176.410.100113.2Y36 N202 F209 E295Y36-Q205 HydrophobicContact CE2-CG 4.19Å; N202-Q205 HydrophobicContact CB-CB 4.35Å; N202-Q205 PolarHBondContact O-N 2.82Å; Q205-F209 VanDerWaalsContact O-CB 3.26Å; Q205-F209 WeakPolarHBondContact O-CB 3.4Å; Q205-F209 PolarHBondContact O-N 3.49Å; Q205-E295 VanDerWaalsContact NE2-CD 3.3Å; Q205-E295 PolarHBondContact NE2-OE1 2.84Å
206T94.6Very high91.4Very high19 Ų1936.7 Ų36.712%0.11719%0.194CC..Hα-helixtrans-65.6-56.8179.8-65.40000111.4L198 S199 N202 A208 F209 T210L198-T206 HydrophobicContact CB-CG2 4.15Å; S199-T206 WeakPolarHBondContact O-CB 3.44Å; S199-T206 PolarHBondContact O-OG1 3Å; N202-T206 WeakPolarHBondContact CB-OG1 3.42Å; N202-T206 WeakPolarHBondContact O-CB 3.25Å; N202-T206 PolarHBondContact O-N 2.7Å; T206-A208 VanDerWaalsContact C-N 3.33Å; T206-A208 PolarHBondContact O-N 2.88Å; T206-F209 WeakPolarHBondContact O-CB 3.07Å; T206-F209 PolarHBondContact O-N 2.99Å; T206-F209 VanDerWaalsContact O-N 3.07Å; T206-T210 HydrophobicContact CG2-CG2 4.32Å; T206-T210 WeakPolarHBondContact O-CG2 3.39Å; T206-T210 PolarHBondContact O-N 2.83Å; T206-T210 PolarHBondContact O-OG1 3.09Å; T206-T210 VanDerWaalsContact O-OG1 3.09Å
207P93.2Very high91.6Very high16 Ų1634.9 Ų34.910%0.10418%0.183CC..Hα-helixtrans-61.1-40.3178.519.9-28.8000112.2A39 N202 T203 F209 T210 D211 L853A39-P207 HydrophobicContact CB-CG 4.24Å; N202-P207 WeakPolarHBondContact O-CD 3.17Å; T203-P207 WeakPolarHBondContact O-CG 3.42Å; P207-F209 VanDerWaalsContact C-N 3.26Å; P207-F209 PolarHBondContact O-N 3.16Å; P207-T210 WeakPolarHBondContact CA-OG1 3.46Å; P207-T210 PolarHBondContact O-N 2.71Å; P207-T210 PolarHBondContact O-OG1 2.84Å; P207-D211 WeakPolarHBondContact O-CB 3.45Å; P207-D211 PolarHBondContact O-N 2.85Å; P207-L853 HydrophobicContact CB-CD2 3.81Å; P207-L853 HydrophobicContact CB-CG 4.03Å; P207-L853 HydrophobicContact CG-CD2 3.71Å; P207-L853 HydrophobicContact CG-CG 4.05Å
208A95.9Very high91.7Very high1 Ų133.7 Ų33.71%0.00817%0.17CC..Hα-helixtrans-59.5-36.5175.200000113.1Y32 Q35 Y36 A39 V204 T206 S212Y32-A208 HydrophobicContact CD2-CB 4.4Å; Y32-A208 HydrophobicContact CE2-CB 3.94Å; Q35-A208 HydrophobicContact CB-CB 4.43Å; Y36-A208 HydrophobicContact CD2-CB 4.39Å; A39-A208 HydrophobicContact CB-CB 4.07Å; V204-A208 WeakPolarHBondContact O-CB 3.4Å; V204-A208 PolarHBondContact O-N 3.07Å; V204-A208 VanDerWaalsContact O-N 3.15Å; T206-A208 VanDerWaalsContact C-N 3.33Å; T206-A208 PolarHBondContact O-N 2.88Å; A208-S212 VanDerWaalsContact O-CB 3.27Å; A208-S212 WeakPolarHBondContact O-CB 3.49Å; A208-S212 PolarHBondContact O-N 3.38Å; A208-S212 PolarHBondContact O-OG 3.47Å
209F97.3Very high91.8Very high1 Ų138.1 Ų38.10%0.00420%0.198CC..Hα-helixtrans-70.4-52.8177.4178.4-99.3000111.4F28 Y32 L198 Q205 T206 P207 S212 V213 M229 P233 I236 L237 Y287F28-F209 HydrophobicContact CE1-CD2 4.3Å; F28-F209 HydrophobicContact CE1-CE2 4.27Å; F28-F209 HydrophobicContact CE2-CD2 4.28Å; F28-F209 HydrophobicContact CE2-CE2 4.13Å; F28-F209 AromaticContact CZ-CD2 3.51Å; F28-F209 HydrophobicContact CZ-CD2 3.51Å; F28-F209 AromaticContact CZ-CE2 3.57Å; F28-F209 HydrophobicContact CZ-CE2 3.57Å; Y32-F209 HydrophobicContact CE2-CB 3.94Å; Y32-F209 HydrophobicContact CE2-CD2 4.5Å; L198-F209 HydrophobicContact CD2-CD1 4.11Å; L198-F209 HydrophobicContact CD2-CE1 4.36Å; Q205-F209 VanDerWaalsContact O-CB 3.26Å; Q205-F209 WeakPolarHBondContact O-CB 3.4Å; Q205-F209 PolarHBondContact O-N 3.49Å; T206-F209 WeakPolarHBondContact O-CB 3.07Å; T206-F209 PolarHBondContact O-N 2.99Å; T206-F209 VanDerWaalsContact O-N 3.07Å; P207-F209 VanDerWaalsContact C-N 3.26Å; P207-F209 PolarHBondContact O-N 3.16Å; F209-S212 PolarHBondContact O-N 3.19Å; F209-V213 HydrophobicContact CE1-CG2 3.95Å; F209-V213 HydrophobicContact CE2-CG2 4.22Å; F209-V213 HydrophobicContact CZ-CG2 3.77Å; F209-V213 PolarHBondContact O-N 2.83Å; F209-M229 HydrophobicContact CD1-CE 4.23Å; F209-M229 HydrophobicContact CE1-CE 3.95Å; F209-P233 HydrophobicContact CD1-CB 4.3Å; F209-P233 HydrophobicContact CD1-CG 4.47Å; F209-P233 HydrophobicContact CD2-CB 3.86Å; F209-P233 HydrophobicContact CE1-CB 4.02Å; F209-P233 HydrophobicContact CE1-CG 4.5Å; F209-P233 HydrophobicContact CE2-CB 3.59Å; F209-P233 HydrophobicContact CG-CB 4.23Å; F209-P233 HydrophobicContact CZ-CB 3.68Å; F209-P233 WeakPolarHBondContact CZ-O 3.41Å; F209-I236 HydrophobicContact CE1-CB 4.04Å; F209-I236 HydrophobicContact CE1-CD1 3.92Å; F209-I236 HydrophobicContact CE1-CG2 3.83Å; F209-I236 HydrophobicContact CZ-CB 3.91Å; F209-I236 HydrophobicContact CZ-CG2 3.83Å; F209-L237 HydrophobicContact CE2-CD1 3.91Å; F209-L237 HydrophobicContact CE2-CD2 4.14Å; F209-L237 HydrophobicContact CE2-CG 3.79Å; F209-L237 HydrophobicContact CZ-CG 4.04Å; F209-Y287 HydrophobicContact CD2-CD2 4.49Å; F209-Y287 AromaticContact CD2-CE2 3.61Å; F209-Y287 HydrophobicContact CD2-CE2 3.61Å; F209-Y287 AromaticContact CD2-CZ 3.88Å; F209-Y287 HydrophobicContact CE2-CD2 4.47Å; F209-Y287 AromaticContact CE2-CE2 3.99Å; F209-Y287 HydrophobicContact CE2-CE2 3.99Å
210T95.1Very high92.1Very high6 Ų639.9 Ų39.94%0.03720%0.201CC..Hα-helixtrans-64.6-46-174.753.20000111.3L198 T206 P207 S212 V213 R214 M229 A856L198-T210 HydrophobicContact CD1-CG2 3.72Å; T206-T210 HydrophobicContact CG2-CG2 4.32Å; T206-T210 WeakPolarHBondContact O-CG2 3.39Å; T206-T210 PolarHBondContact O-N 2.83Å; T206-T210 PolarHBondContact O-OG1 3.09Å; T206-T210 VanDerWaalsContact O-OG1 3.09Å; P207-T210 WeakPolarHBondContact CA-OG1 3.46Å; P207-T210 PolarHBondContact O-N 2.71Å; P207-T210 PolarHBondContact O-OG1 2.84Å; T210-S212 VanDerWaalsContact C-N 3.25Å; T210-S212 PolarHBondContact O-N 3.34Å; T210-V213 PolarHBondContact O-N 2.84Å; T210-R214 WeakPolarHBondContact O-CB 3.31Å; T210-R214 PolarHBondContact O-N 2.77Å; T210-M229 HydrophobicContact CG2-CE 3.65Å; T210-A856 VanDerWaalsContact CB-CB 3.48Å; T210-A856 WeakPolarHBondContact OG1-CB 3.45Å
211D94Very high92.7Very high18 Ų1836.3 Ų36.310%0.09620%0.195CC..Hα-helixtrans-62-34.1176.4-11727.7000112Q35 P207 R214 R215 A856Q35-D211 HydrophobicContact CG-CB 4.28Å; Q35-D211 PolarHBondContact OE1-OD2 2.98Å; Q35-D211 VanDerWaalsContact OE1-OD2 3.11Å; P207-D211 WeakPolarHBondContact O-CB 3.45Å; P207-D211 PolarHBondContact O-N 2.85Å; D211-R214 PolarHBondContact O-N 3.02Å; D211-R214 IonicContact OD1-CZ 3.84Å; D211-R214 IonicContact OD1-NE 3.97Å; D211-R214 PolarHBondContact OD1-NE 2.74Å; D211-R214 IonicContact OD1-NH2 3.6Å; D211-R214 PolarHBondContact OD1-NH2 3.13Å; D211-R214 IonicContact OD2-NH2 3.48Å; D211-R214 PolarHBondContact OD2-NH2 3.33Å; D211-R215 WeakPolarHBondContact O-CB 3.44Å; D211-R215 VanDerWaalsContact O-CG 3.28Å; D211-R215 WeakPolarHBondContact O-CG 3.41Å; D211-R215 PolarHBondContact O-N 3.48Å; D211-R215 IonicContact OD2-CZ 2.79Å; D211-R215 IonicContact OD2-NE 3.76Å; D211-R215 IonicContact OD2-NH2 3.12Å; D211-R215 PolarHBondContact OD2-NH2 3.15Å; D211-A856 WeakPolarHBondContact OD1-CB 3.46Å
212S96.8Very high93.1Very high0 Ų032 Ų320%018%0.175CC..Hα-helixtrans-70.1-39.4177.3-630000112.6F28 Y32 Q35 A208 F209 T210 Y216F28-S212 VanDerWaalsContact CE2-CB 3.44Å; Y32-S212 VanDerWaalsContact CA-OG 3.23Å; Y32-S212 WeakPolarHBondContact CA-OG 3.34Å; Y32-S212 PolarHBondContact N-OG 3.31Å; Q35-S212 WeakPolarHBondContact CB-OG 3.33Å; Q35-S212 WeakPolarHBondContact CG-OG 3.46Å; A208-S212 VanDerWaalsContact O-CB 3.27Å; A208-S212 WeakPolarHBondContact O-CB 3.49Å; A208-S212 PolarHBondContact O-N 3.38Å; A208-S212 PolarHBondContact O-OG 3.47Å; F209-S212 PolarHBondContact O-N 3.19Å; T210-S212 VanDerWaalsContact C-N 3.25Å; T210-S212 PolarHBondContact O-N 3.34Å; S212-Y216 WeakPolarHBondContact O-CB 3.48Å; S212-Y216 PolarHBondContact O-N 3Å
213V96.5Very high93.3Very high2 Ų230.5 Ų30.51%0.01216%0.164CC..Hα-helixtrans-64.3-46.1171.7176.30000110.1F28 F209 T210 Y216 R217 W226 M229 I236 L240F28-V213 HydrophobicContact CD2-CG2 4.4Å; F28-V213 HydrophobicContact CE2-CG2 3.75Å; F209-V213 HydrophobicContact CE1-CG2 3.95Å; F209-V213 HydrophobicContact CE2-CG2 4.22Å; F209-V213 HydrophobicContact CZ-CG2 3.77Å; F209-V213 PolarHBondContact O-N 2.83Å; T210-V213 PolarHBondContact O-N 2.84Å; V213-Y216 PolarHBondContact O-N 3.43Å; V213-R217 WeakPolarHBondContact O-CG 3.46Å; V213-R217 PolarHBondContact O-N 2.92Å; V213-W226 HydrophobicContact CG1-CE3 4.05Å; V213-W226 HydrophobicContact CG1-CZ3 3.75Å; V213-M229 HydrophobicContact CB-CE 4.01Å; V213-M229 HydrophobicContact CB-SD 4.18Å; V213-M229 HydrophobicContact CG1-CE 4.25Å; V213-M229 HydrophobicContact CG1-SD 3.74Å; V213-M229 HydrophobicContact CG2-CE 4.13Å; V213-M229 HydrophobicContact CG2-SD 4.46Å; V213-I236 HydrophobicContact CG2-CG2 4.23Å; V213-L240 HydrophobicContact CG1-CD1 4.18Å; V213-L240 HydrophobicContact CG1-CD2 4.18Å; V213-L240 HydrophobicContact CG2-CD2 4.36Å
214R93.9Very high93.2Very high38 Ų3828.9 Ų28.914%0.14316%0.159CC..Hα-helixtrans-57.3-52.1178.4-175179.663.678.5-16.8111.9T210 D211 Y216 R217 Q218 E537 L855T210-R214 WeakPolarHBondContact O-CB 3.31Å; T210-R214 PolarHBondContact O-N 2.77Å; D211-R214 PolarHBondContact O-N 3.02Å; D211-R214 IonicContact OD1-CZ 3.84Å; D211-R214 IonicContact OD1-NE 3.97Å; D211-R214 PolarHBondContact OD1-NE 2.74Å; D211-R214 IonicContact OD1-NH2 3.6Å; D211-R214 PolarHBondContact OD1-NH2 3.13Å; D211-R214 IonicContact OD2-NH2 3.48Å; D211-R214 PolarHBondContact OD2-NH2 3.33Å; R214-Y216 PolarHBondContact O-N 3.46Å; R214-R217 PolarHBondContact O-N 2.92Å; R214-Q218 VanDerWaalsContact NH1-OE1 3.17Å; R214-Q218 WeakPolarHBondContact O-CG 3.5Å; R214-Q218 PolarHBondContact O-N 2.77Å; R214-E537 IonicContact CZ-OE1 2.99Å; R214-E537 IonicContact CZ-OE2 2.67Å; R214-E537 IonicContact NH1-OE1 2.73Å; R214-E537 PolarHBondContact NH1-OE1 3.24Å; R214-E537 IonicContact NH1-OE2 2.86Å; R214-E537 PolarHBondContact NH1-OE2 2.92Å; R214-E537 IonicContact NH2-OE1 3.24Å; R214-E537 IonicContact NH2-OE2 3.18Å; R214-E537 PolarHBondContact NH2-OE2 2.89Å; R214-L855 WeakPolarHBondContact CD-O 3.44Å
215R92.7Very high92.8Very high16 Ų1629.6 Ų29.66%0.0616%0.163CC..Hα-helixtrans-60.8-43.1177.2-73-177.4-164.8-55.3-16.7112.5L31 D211 R217 Q218 V219 N534 E537L31-R215 HydrophobicContact CD1-CB 4.34Å; L31-R215 HydrophobicContact CD2-CB 4.41Å; D211-R215 WeakPolarHBondContact O-CB 3.44Å; D211-R215 VanDerWaalsContact O-CG 3.28Å; D211-R215 WeakPolarHBondContact O-CG 3.41Å; D211-R215 PolarHBondContact O-N 3.48Å; D211-R215 IonicContact OD2-CZ 2.79Å; D211-R215 IonicContact OD2-NE 3.76Å; D211-R215 IonicContact OD2-NH2 3.12Å; D211-R215 PolarHBondContact OD2-NH2 3.15Å; R215-R217 VanDerWaalsContact C-N 3.28Å; R215-R217 PolarHBondContact O-N 2.94Å; R215-Q218 PolarHBondContact O-N 2.95Å; R215-V219 WeakPolarHBondContact O-CG2 3.36Å; R215-V219 PolarHBondContact O-N 3.28Å; R215-N534 PolarHBondContact NE-OD1 2.91Å; R215-N534 PolarHBondContact NH2-ND2 2.92Å; R215-N534 PolarHBondContact NH2-OD1 3.4Å; R215-E537 IonicContact CZ-OE2 2.74Å; R215-E537 IonicContact NH1-OE1 3.85Å; R215-E537 PolarHBondContact NH1-OE1 3.3Å; R215-E537 IonicContact NH1-OE2 3.59Å; R215-E537 PolarHBondContact NH1-OE2 3.42Å; R215-E537 IonicContact NH2-OE2 2.8Å; R215-E537 PolarHBondContact NH2-OE2 3.27Å
216Y95.6Very high92.6Very high9 Ų928.6 Ų28.64%0.03516%0.157CC..Hα-helixtrans-59.9-38.6177-178.1-94.7000112.4V24 Q27 L31 S212 V213 R214 K220 L240V24-Y216 HydrophobicContact CG1-CE1 4.26Å; V24-Y216 WeakPolarHBondContact CG2-OH 3.24Å; Q27-Y216 HydrophobicContact CB-CD2 4.14Å; Q27-Y216 HydrophobicContact CB-CE2 3.64Å; L31-Y216 HydrophobicContact CD1-CD2 4.27Å; S212-Y216 WeakPolarHBondContact O-CB 3.48Å; S212-Y216 PolarHBondContact O-N 3Å; V213-Y216 PolarHBondContact O-N 3.43Å; R214-Y216 PolarHBondContact O-N 3.46Å; Y216-K220 HydrophobicContact CE1-CD 4.33Å; Y216-K220 VanDerWaalsContact CE1-CE 3.44Å; Y216-K220 VanDerWaalsContact CZ-CE 3.41Å; Y216-K220 VanDerWaalsContact CZ-NZ 3.26Å; Y216-K220 VanDerWaalsContact OH-CE 3.32Å; Y216-K220 WeakPolarHBondContact OH-CE 3.36Å; Y216-K220 PolarHBondContact OH-NZ 2.92Å; Y216-L240 HydrophobicContact CD1-CD1 3.89Å; Y216-L240 HydrophobicContact CD1-CD2 3.63Å; Y216-L240 HydrophobicContact CD1-CG 3.84Å; Y216-L240 HydrophobicContact CE1-CD1 4.16Å; Y216-L240 HydrophobicContact CE1-CD2 3.97Å; Y216-L240 HydrophobicContact CE1-CG 3.84Å; Y216-L240 HydrophobicContact CG-CD2 4.33Å
217R94.3Very high92.3Very high21 Ų2130.7 Ų30.78%0.07917%0.166CC..Hα-helixtrans-72.8-43.5175.4-68.9-172.279.8-105.61.4112.1V213 R214 R215 V219 K220 G221 H222 L240 E243V213-R217 WeakPolarHBondContact O-CG 3.46Å; V213-R217 PolarHBondContact O-N 2.92Å; R214-R217 PolarHBondContact O-N 2.92Å; R215-R217 VanDerWaalsContact C-N 3.28Å; R215-R217 PolarHBondContact O-N 2.94Å; R217-V219 VanDerWaalsContact C-N 3.34Å; R217-V219 PolarHBondContact O-N 3.3Å; R217-K220 WeakPolarHBondContact O-CA 3.44Å; R217-K220 WeakPolarHBondContact O-CB 3.5Å; R217-K220 PolarHBondContact O-N 3.12Å; R217-G221 PolarHBondContact O-N 2.93Å; R217-H222 CarbonylContact C-O 3.11Å; R217-H222 HydrophobicContact CB-CB 4.03Å; R217-H222 WeakPolarHBondContact O-CB 3.43Å; R217-H222 PolarHBondContact O-N 3.37Å; R217-L240 HydrophobicContact CG-CD1 3.65Å; R217-E243 IonicContact CZ-OE1 3.79Å; R217-E243 IonicContact NE-OE1 2.74Å; R217-E243 PolarHBondContact NE-OE1 3.27Å; R217-E243 VanDerWaalsContact NE-OE1 3.14Å; R217-E243 IonicContact NE-OE2 3.99Å; R217-E243 PolarHBondContact NE-OE2 2.97Å; R217-E243 IonicContact NH2-OE1 3.92Å; R217-E243 PolarHBondContact NH2-OE1 3Å; R217-E243 IonicContact NH2-OE2 3.62Å
218Q92.3Very high92.2Very high23 Ų2330.7 Ų30.711%0.10716%0.164CC..Hα-helixtrans-57.9-41.1176.7-73.6170.1-40.700112.9R214 R215 K220 G221 H222 Y223 E537R214-Q218 VanDerWaalsContact NH1-OE1 3.17Å; R214-Q218 WeakPolarHBondContact O-CG 3.5Å; R214-Q218 PolarHBondContact O-N 2.77Å; R215-Q218 PolarHBondContact O-N 2.95Å; Q218-K220 PolarHBondContact O-N 3.32Å; Q218-G221 WeakPolarHBondContact O-CA 3.16Å; Q218-G221 PolarHBondContact O-N 3.03Å; Q218-H222 WeakPolarHBondContact CA-O 3.24Å; Q218-H222 PolarHBondContact N-O 3.38Å; Q218-Y223 HydrophobicContact CB-CE1 4.18Å; Q218-Y223 HydrophobicContact CG-CD1 3.96Å; Q218-Y223 HydrophobicContact CG-CE1 3.85Å; Q218-E537 PolarHBondContact NE2-OE1 3.01Å; Q218-E537 PolarHBondContact OE1-OE1 3.26Å
219V90.8Very high92.1Very high129 Ų12932.5 Ų32.578%0.78217%0.173SC*.Hα-helixtrans-62.8-26.4177170.30000112.3R215 R217 G221R215-V219 WeakPolarHBondContact O-CG2 3.36Å; R215-V219 PolarHBondContact O-N 3.28Å; R217-V219 VanDerWaalsContact C-N 3.34Å; R217-V219 PolarHBondContact O-N 3.3Å; V219-G221 VanDerWaalsContact C-N 3.31Å
220K90.4Very high91.8Very high74 Ų7433 Ų3332%0.32218%0.176SC..THydrogen-bonded Turntrans-85.70.7172.3-63.2-175-176.9-177.90113.9Y216 R217 Q218Y216-K220 HydrophobicContact CE1-CD 4.33Å; Y216-K220 VanDerWaalsContact CE1-CE 3.44Å; Y216-K220 VanDerWaalsContact CZ-CE 3.41Å; Y216-K220 VanDerWaalsContact CZ-NZ 3.26Å; Y216-K220 VanDerWaalsContact OH-CE 3.32Å; Y216-K220 WeakPolarHBondContact OH-CE 3.36Å; Y216-K220 PolarHBondContact OH-NZ 2.92Å; R217-K220 WeakPolarHBondContact O-CA 3.44Å; R217-K220 WeakPolarHBondContact O-CB 3.5Å; R217-K220 PolarHBondContact O-N 3.12Å; Q218-K220 PolarHBondContact O-N 3.32Å
221G89.9Confident91.7Very high43 Ų4332.7 Ų32.744%0.44317%0.174SC..THydrogen-bonded Turntrans85.34.6-175.500000114.6R217 Q218 V219 Y223R217-G221 PolarHBondContact O-N 2.93Å; Q218-G221 WeakPolarHBondContact O-CA 3.16Å; Q218-G221 PolarHBondContact O-N 3.03Å; V219-G221 VanDerWaalsContact C-N 3.31Å; G221-Y223 WeakPolarHBondContact O-CD2 2.95Å; G221-Y223 PolarHBondContact O-N 2.79Å
222H90.2Very high91.8Very high76 Ų7633.7 Ų33.735%0.35218%0.183SC..  trans-87.9103.8175.9-60.7168.5000109.6R217 Q218 E243R217-H222 CarbonylContact C-O 3.11Å; R217-H222 HydrophobicContact CB-CB 4.03Å; R217-H222 WeakPolarHBondContact O-CB 3.43Å; R217-H222 PolarHBondContact O-N 3.37Å; Q218-H222 WeakPolarHBondContact CA-O 3.24Å; Q218-H222 PolarHBondContact N-O 3.38Å; H222-E243 IonicContact CE1-OE2 2.88Å; H222-E243 PolarHBondContact CE1-OE2 3.2Å; H222-E243 IonicContact ND1-OE1 3.53Å; H222-E243 IonicContact ND1-OE2 3.86Å; H222-E243 PolarHBondContact ND1-OE2 2.83Å
223Y89.3Confident91.8Very high43 Ų4334.9 Ų34.917%0.16919%0.191CC..  trans-101.6168172.8-68-102.2000109.7Q218 G221 P501 L504 Q505Q218-Y223 HydrophobicContact CB-CE1 4.18Å; Q218-Y223 HydrophobicContact CG-CD1 3.96Å; Q218-Y223 HydrophobicContact CG-CE1 3.85Å; G221-Y223 WeakPolarHBondContact O-CD2 2.95Å; G221-Y223 PolarHBondContact O-N 2.79Å; Y223-P501 WeakPolarHBondContact CD1-O 3.33Å; Y223-L504 HydrophobicContact CD1-CB 4.18Å; Y223-L504 HydrophobicContact CE1-CB 3.9Å; Y223-Q505 HydrophobicContact CD1-CB 3.92Å; Y223-Q505 HydrophobicContact CD2-CB 3.98Å; Y223-Q505 HydrophobicContact CD2-CG 3.87Å; Y223-Q505 HydrophobicContact CE1-CB 4.27Å; Y223-Q505 HydrophobicContact CE2-CB 4.34Å; Y223-Q505 HydrophobicContact CE2-CG 4.25Å; Y223-Q505 HydrophobicContact CG-CB 3.79Å; Y223-Q505 HydrophobicContact CG-CG 4.14Å
224G86.8Confident91.8Very high21 Ų2135.5 Ų35.522%0.21620%0.195CC..SBendtrans86.6172.1176.100000115.2P501G224-P501 VanDerWaalsContact N-CB 3.27Å
225T86.1Confident91.9Very high18 Ų1834.6 Ų34.611%0.1119%0.192CC..  trans-59.5143.5177.653.70000112.4F429 Q497T225-F429 HydrophobicContact CG2-CE1 4.36Å; T225-F429 HydrophobicContact CG2-CZ 3.82Å; T225-Q497 HydrophobicContact CG2-CB 4.09Å
226W89.8Confident92.2Very high26 Ų2633.8 Ų33.810%0.09819%0.189CC..  trans-121118.5-175.1-173.247.3000111.9V213 M228 M229 I236 N239 L240 E243V213-W226 HydrophobicContact CG1-CE3 4.05Å; V213-W226 HydrophobicContact CG1-CZ3 3.75Å; W226-M228 HydrophobicContact CD2-CB 4.19Å; W226-M228 HydrophobicContact CH2-CB 4.27Å; W226-M228 HydrophobicContact CZ2-CB 3.8Å; W226-M228 PolarHBondContact O-N 3.08Å; W226-M229 HydrophobicContact CB-CB 4.34Å; W226-M229 HydrophobicContact CE3-CB 3.87Å; W226-M229 HydrophobicContact CE3-CG 4.43Å; W226-M229 HydrophobicContact CE3-SD 3.77Å; W226-M229 HydrophobicContact CZ3-SD 3.97Å; W226-M229 WeakPolarHBondContact O-CB 3.44Å; W226-M229 PolarHBondContact O-N 3.42Å; W226-I236 HydrophobicContact CZ3-CG2 3.8Å; W226-N239 HydrophobicContact CH2-CB 3.9Å; W226-N239 HydrophobicContact CZ2-CB 4.18Å; W226-L240 HydrophobicContact CH2-CB 3.83Å; W226-L240 HydrophobicContact CH2-CD1 3.77Å; W226-L240 HydrophobicContact CH2-CG 4.42Å; W226-L240 HydrophobicContact CZ2-CD1 4.17Å; W226-L240 HydrophobicContact CZ3-CD1 4.19Å; W226-E243 PolarHBondContact NE1-OE1 3.39Å
227E87.6Confident92.3Very high64 Ų6433.4 Ų33.430%0.29919%0.188SC..THydrogen-bonded Turntrans-62.2-27-177.3-172.5175.5-12600113.1K123 M229 C230 N427K123-E227 WeakPolarHBondContact CE-OE1 3.45Å; K123-E227 WeakPolarHBondContact CE-OE2 3.35Å; K123-E227 IonicContact NZ-OE1 2.74Å; K123-E227 PolarHBondContact NZ-OE1 3.14Å; K123-E227 IonicContact NZ-OE2 3Å; K123-E227 PolarHBondContact NZ-OE2 3.26Å; E227-M229 VanDerWaalsContact C-N 3.29Å; E227-M229 PolarHBondContact O-N 3.35Å; E227-C230 PolarHBondContact O-SG 3.02Å; E227-N427 PolarHBondContact OE1-ND2 3.08Å
228M91.9Very high92.5Very high16 Ų1632.4 Ų32.48%0.07918%0.184CC..THydrogen-bonded Turntrans-88.110.4177.9-57.6-51.8-55.300114.2P165 Y166 W226 C230 N239P165-M228 HydrophobicContact CG-CE 3.67Å; P165-M228 HydrophobicContact CG-SD 3.62Å; Y166-M228 HydrophobicContact CD2-CE 4.47Å; Y166-M228 HydrophobicContact CE2-CE 4.21Å; Y166-M228 HydrophobicContact CE2-CG 4.43Å; W226-M228 HydrophobicContact CD2-CB 4.19Å; W226-M228 HydrophobicContact CH2-CB 4.27Å; W226-M228 HydrophobicContact CZ2-CB 3.8Å; W226-M228 PolarHBondContact O-N 3.08Å; M228-C230 PolarHBondContact O-N 3.18Å; M228-N239 HydrophobicContact CB-CB 3.91Å; M228-N239 WeakPolarHBondContact CE-ND2 3.23Å; M228-N239 PolarHBondContact O-ND2 3.01Å
229M92.1Very high92.7Very high39 Ų3931.3 Ų31.319%0.19218%0.179CC..  trans-77.753.3168.6-159.963.7-17400110.9L198 F209 T210 V213 W226 E227 I236L198-M229 HydrophobicContact CD1-CE 4.44Å; F209-M229 HydrophobicContact CD1-CE 4.23Å; F209-M229 HydrophobicContact CE1-CE 3.95Å; T210-M229 HydrophobicContact CG2-CE 3.65Å; V213-M229 HydrophobicContact CB-CE 4.01Å; V213-M229 HydrophobicContact CB-SD 4.18Å; V213-M229 HydrophobicContact CG1-CE 4.25Å; V213-M229 HydrophobicContact CG1-SD 3.74Å; V213-M229 HydrophobicContact CG2-CE 4.13Å; V213-M229 HydrophobicContact CG2-SD 4.46Å; W226-M229 HydrophobicContact CB-CB 4.34Å; W226-M229 HydrophobicContact CE3-CB 3.87Å; W226-M229 HydrophobicContact CE3-CG 4.43Å; W226-M229 HydrophobicContact CE3-SD 3.77Å; W226-M229 HydrophobicContact CZ3-SD 3.97Å; W226-M229 WeakPolarHBondContact O-CB 3.44Å; W226-M229 PolarHBondContact O-N 3.42Å; E227-M229 VanDerWaalsContact C-N 3.29Å; E227-M229 PolarHBondContact O-N 3.35Å; M229-I236 HydrophobicContact CE-CD1 4.38Å; M229-I236 HydrophobicContact CE-CG2 4.14Å; M229-I236 HydrophobicContact SD-CD1 4.32Å; M229-I236 HydrophobicContact SD-CG2 3.48Å; M229-I236 WeakPolarHBondContact SD-CG2 3.36Å
230C91.6Very high92.9Very high10 Ų1025.2 Ų25.27%0.06814%0.142CC..  trans-141.2144.8-171.953.10000111.7G121 N195 E227 M228 I236G121-C230 VanDerWaalsContact CA-SG 3.57Å; N195-C230 HydrophobicContact CB-CB 3.76Å; E227-C230 PolarHBondContact O-SG 3.02Å; M228-C230 PolarHBondContact O-N 3.18Å; C230-I236 WeakPolarHBondContact O-CG1 3.22Å
231G93.9Very high93.2Very high0 Ų021.7 Ų21.70%013%0.127CC..SBendtrans95.4-174.8-172.700000113.6A120 S194 N195 I236A120-G231 VanDerWaalsContact CB-CA 3.43Å; S194-G231 WeakPolarHBondContact O-CA 3.37Å; N195-G231 PolarHBondContact O-N 3.18Å; G231-I236 VanDerWaalsContact O-CD1 3.3Å; G231-I236 WeakPolarHBondContact O-CD1 3.27Å
232S95.1Very high93.5Very high39 Ų3919.8 Ų19.827%0.27311%0.106SC..SBendtrans-67.7157.4176.262.60000111.6P234 Q235 I236S232-P234 VanDerWaalsContact C-CD 3.47Å; S232-P234 VanDerWaalsContact C-N 3.33Å; S232-P234 VanDerWaalsContact O-N 3.14Å; S232-Q235 WeakPolarHBondContact O-CA 2.98Å; S232-Q235 WeakPolarHBondContact O-CB 3.13Å; S232-Q235 PolarHBondContact O-N 3.23Å; S232-Q235 PolarHBondContact OG-OE1 3.15Å; S232-I236 PolarHBondContact O-N 3.22Å; S232-I236 VanDerWaalsContact O-N 3.1Å
233P96.5Very high93.6Very high25 Ų2518 Ų1816%0.16210%0.098CC..Hα-helixtrans-49.9-40.6-178.4-27.934000115.2L198 F209 Q235 I236 L237 Y287L198-P233 HydrophobicContact CD2-CG 3.76Å; F209-P233 HydrophobicContact CD1-CB 4.3Å; F209-P233 HydrophobicContact CD1-CG 4.47Å; F209-P233 HydrophobicContact CD2-CB 3.86Å; F209-P233 HydrophobicContact CE1-CB 4.02Å; F209-P233 HydrophobicContact CE1-CG 4.5Å; F209-P233 HydrophobicContact CE2-CB 3.59Å; F209-P233 HydrophobicContact CG-CB 4.23Å; F209-P233 HydrophobicContact CZ-CB 3.68Å; F209-P233 WeakPolarHBondContact CZ-O 3.41Å; P233-Q235 VanDerWaalsContact C-N 3.33Å; P233-Q235 PolarHBondContact O-N 2.94Å; P233-I236 PolarHBondContact O-N 3.13Å; P233-L237 WeakPolarHBondContact O-CB 3.26Å; P233-L237 VanDerWaalsContact O-CG 3.3Å; P233-L237 WeakPolarHBondContact O-CG 3.2Å; P233-L237 PolarHBondContact O-N 3.28Å; P233-Y287 HydrophobicContact CB-CD1 4Å; P233-Y287 HydrophobicContact CB-CE1 3.46Å; P233-Y287 VanDerWaalsContact CB-CE1 3.46Å; P233-Y287 HydrophobicContact CB-CE2 4.29Å; P233-Y287 HydrophobicContact CG-CE1 3.99Å
234P96.8Very high93.6Very high15 Ų1518.7 Ų18.710%0.09711%0.107CC..Hα-helixtrans-63.1-32174-26.538.2000115.2S232 A238 L280 T283 N284 Y287S232-P234 VanDerWaalsContact C-CD 3.47Å; S232-P234 VanDerWaalsContact C-N 3.33Å; S232-P234 VanDerWaalsContact O-N 3.14Å; P234-A238 WeakPolarHBondContact O-CB 3.44Å; P234-A238 PolarHBondContact O-N 3.44Å; P234-L280 HydrophobicContact CB-CD1 4.05Å; P234-L280 WeakPolarHBondContact O-CD1 3.41Å; P234-T283 PolarHBondContact O-OG1 3.08Å; P234-N284 HydrophobicContact CB-CB 3.92Å; P234-N284 HydrophobicContact CG-CB 4.26Å; P234-Y287 HydrophobicContact CG-CD1 4.25Å
235Q97.1Very high93.9Very high19 Ų1917.8 Ų17.89%0.08910%0.097CC..Hα-helixtrans-73.1-43.4177.2-65.1171.1-81.800110.6N118 S232 P233 L237 A238 N239 L280N118-Q235 PolarHBondContact OD1-NE2 3.2Å; S232-Q235 WeakPolarHBondContact O-CA 2.98Å; S232-Q235 WeakPolarHBondContact O-CB 3.13Å; S232-Q235 PolarHBondContact O-N 3.23Å; S232-Q235 PolarHBondContact OG-OE1 3.15Å; P233-Q235 VanDerWaalsContact C-N 3.33Å; P233-Q235 PolarHBondContact O-N 2.94Å; Q235-L237 VanDerWaalsContact C-N 3.34Å; Q235-L237 PolarHBondContact O-N 2.66Å; Q235-A238 WeakPolarHBondContact O-CB 3.12Å; Q235-A238 PolarHBondContact O-N 3.07Å; Q235-A238 VanDerWaalsContact O-N 3.14Å; Q235-N239 PolarHBondContact O-N 2.69Å; Q235-N239 PolarHBondContact O-ND2 2.91Å; Q235-N239 PolarHBondContact O-OD1 2.92Å; Q235-L280 HydrophobicContact CB-CD1 4.43Å; Q235-L280 HydrophobicContact CG-CD1 3.83Å; Q235-L280 HydrophobicContact CG-CD2 4.48Å
236I97.7Very high94.2Very high0 Ų018.4 Ų18.40%010%0.099CC..Hα-helixtrans-60.5-44.1174.1-64.6175.3000110.5L198 F209 V213 W226 M229 C230 G231 S232 P233 A238 N239 L240L198-I236 HydrophobicContact CD1-CD1 3.96Å; L198-I236 HydrophobicContact CD2-CD1 4.18Å; L198-I236 HydrophobicContact CG-CD1 4.18Å; F209-I236 HydrophobicContact CE1-CB 4.04Å; F209-I236 HydrophobicContact CE1-CD1 3.92Å; F209-I236 HydrophobicContact CE1-CG2 3.83Å; F209-I236 HydrophobicContact CZ-CB 3.91Å; F209-I236 HydrophobicContact CZ-CG2 3.83Å; V213-I236 HydrophobicContact CG2-CG2 4.23Å; W226-I236 HydrophobicContact CZ3-CG2 3.8Å; M229-I236 HydrophobicContact CE-CD1 4.38Å; M229-I236 HydrophobicContact CE-CG2 4.14Å; M229-I236 HydrophobicContact SD-CD1 4.32Å; M229-I236 HydrophobicContact SD-CG2 3.48Å; M229-I236 WeakPolarHBondContact SD-CG2 3.36Å; C230-I236 WeakPolarHBondContact O-CG1 3.22Å; G231-I236 VanDerWaalsContact O-CD1 3.3Å; G231-I236 WeakPolarHBondContact O-CD1 3.27Å; S232-I236 PolarHBondContact O-N 3.22Å; S232-I236 VanDerWaalsContact O-N 3.1Å; P233-I236 PolarHBondContact O-N 3.13Å; I236-A238 VanDerWaalsContact C-N 3.34Å; I236-A238 PolarHBondContact O-N 3.41Å; I236-N239 WeakPolarHBondContact O-CB 3.43Å; I236-N239 PolarHBondContact O-N 2.59Å; I236-L240 WeakPolarHBondContact O-CB 3.29Å; I236-L240 PolarHBondContact O-N 2.65Å
237L97.9Very high94.2Very high0 Ų019.9 Ų19.90%011%0.112CC..Hα-helixtrans-63.2-37.4173.7-72.2167.3000112.7M25 F28 F209 P233 Q235 L240 V241 T283 Y287M25-L237 HydrophobicContact CE-CD1 3.9Å; M25-L237 HydrophobicContact SD-CB 4.21Å; M25-L237 HydrophobicContact SD-CD1 3.93Å; M25-L237 HydrophobicContact SD-CD2 4.08Å; M25-L237 HydrophobicContact SD-CG 4.31Å; F28-L237 HydrophobicContact CB-CD2 4.41Å; F28-L237 HydrophobicContact CD1-CD2 3.73Å; F28-L237 HydrophobicContact CD2-CD2 3.72Å; F28-L237 HydrophobicContact CE1-CD1 4.3Å; F28-L237 HydrophobicContact CE1-CD2 3.93Å; F28-L237 HydrophobicContact CE2-CD2 3.89Å; F28-L237 HydrophobicContact CG-CD2 3.64Å; F28-L237 HydrophobicContact CZ-CD2 4.02Å; F209-L237 HydrophobicContact CE2-CD1 3.91Å; F209-L237 HydrophobicContact CE2-CD2 4.14Å; F209-L237 HydrophobicContact CE2-CG 3.79Å; F209-L237 HydrophobicContact CZ-CG 4.04Å; P233-L237 WeakPolarHBondContact O-CB 3.26Å; P233-L237 VanDerWaalsContact O-CG 3.3Å; P233-L237 WeakPolarHBondContact O-CG 3.2Å; P233-L237 PolarHBondContact O-N 3.28Å; Q235-L237 VanDerWaalsContact C-N 3.34Å; Q235-L237 PolarHBondContact O-N 2.66Å; L237-L240 HydrophobicContact CD2-CD2 4.35Å; L237-L240 WeakPolarHBondContact O-CB 3.33Å; L237-L240 PolarHBondContact O-N 3.24Å; L237-V241 WeakPolarHBondContact O-CG2 3.21Å; L237-V241 PolarHBondContact O-N 3.29Å; L237-T283 HydrophobicContact CB-CG2 3.93Å; L237-Y287 HydrophobicContact CD1-CD2 3.65Å; L237-Y287 HydrophobicContact CD1-CE2 4.48Å; L237-Y287 HydrophobicContact CD1-CG 3.87Å
238A97.9Very high94.4Very high0 Ų020.5 Ų20.50%012%0.115CC..Hα-helixtrans-65.3-41.4174.700000111.6P234 Q235 I236 L240 V241 L242 Y276 V279 L280P234-A238 WeakPolarHBondContact O-CB 3.44Å; P234-A238 PolarHBondContact O-N 3.44Å; Q235-A238 WeakPolarHBondContact O-CB 3.12Å; Q235-A238 PolarHBondContact O-N 3.07Å; Q235-A238 VanDerWaalsContact O-N 3.14Å; I236-A238 VanDerWaalsContact C-N 3.34Å; I236-A238 PolarHBondContact O-N 3.41Å; A238-L240 VanDerWaalsContact C-N 3.29Å; A238-L240 PolarHBondContact O-N 3.09Å; A238-V241 PolarHBondContact O-N 3.29Å; A238-L242 WeakPolarHBondContact O-CB 3.15Å; A238-L242 VanDerWaalsContact O-CD1 3.31Å; A238-L242 WeakPolarHBondContact O-CD1 3.28Å; A238-L242 WeakPolarHBondContact O-CG 3.3Å; A238-L242 PolarHBondContact O-N 2.91Å; A238-L242 VanDerWaalsContact O-N 3.07Å; A238-Y276 HydrophobicContact CB-CE2 4.3Å; A238-V279 HydrophobicContact CB-CG1 3.87Å; A238-L280 HydrophobicContact CB-CB 4.24Å; A238-L280 HydrophobicContact CB-CD1 4.26Å
239N96.6Very high94.4Very high1 Ų120 Ų201%0.00511%0.112CC..Hα-helixtrans-59.5-40.3172-61.3-22.7000111.3Y166 W226 M228 Q235 I236 L242 E243Y166-N239 HydrophobicContact CE2-CB 4.03Å; W226-N239 HydrophobicContact CH2-CB 3.9Å; W226-N239 HydrophobicContact CZ2-CB 4.18Å; M228-N239 HydrophobicContact CB-CB 3.91Å; M228-N239 WeakPolarHBondContact CE-ND2 3.23Å; M228-N239 PolarHBondContact O-ND2 3.01Å; Q235-N239 PolarHBondContact O-N 2.69Å; Q235-N239 PolarHBondContact O-ND2 2.91Å; Q235-N239 PolarHBondContact O-OD1 2.92Å; I236-N239 WeakPolarHBondContact O-CB 3.43Å; I236-N239 PolarHBondContact O-N 2.59Å; N239-L242 CarbonylContact O-C 3.53Å; N239-L242 PolarHBondContact O-N 2.93Å; N239-L242 VanDerWaalsContact O-N 3.16Å; N239-E243 PolarHBondContact O-N 3.31Å
240L96.3Very high94.2Very high0 Ų020.2 Ų20.20%011%0.111CC..Hα-helixtrans-67.6-38.1-177.8-167.163000113V213 Y216 R217 W226 I236 L237 A238V213-L240 HydrophobicContact CG1-CD1 4.18Å; V213-L240 HydrophobicContact CG1-CD2 4.18Å; V213-L240 HydrophobicContact CG2-CD2 4.36Å; Y216-L240 HydrophobicContact CD1-CD1 3.89Å; Y216-L240 HydrophobicContact CD1-CD2 3.63Å; Y216-L240 HydrophobicContact CD1-CG 3.84Å; Y216-L240 HydrophobicContact CE1-CD1 4.16Å; Y216-L240 HydrophobicContact CE1-CD2 3.97Å; Y216-L240 HydrophobicContact CE1-CG 3.84Å; Y216-L240 HydrophobicContact CG-CD2 4.33Å; R217-L240 HydrophobicContact CG-CD1 3.65Å; W226-L240 HydrophobicContact CH2-CB 3.83Å; W226-L240 HydrophobicContact CH2-CD1 3.77Å; W226-L240 HydrophobicContact CH2-CG 4.42Å; W226-L240 HydrophobicContact CZ2-CD1 4.17Å; W226-L240 HydrophobicContact CZ3-CD1 4.19Å; I236-L240 WeakPolarHBondContact O-CB 3.29Å; I236-L240 PolarHBondContact O-N 2.65Å; L237-L240 HydrophobicContact CD2-CD2 4.35Å; L237-L240 WeakPolarHBondContact O-CB 3.33Å; L237-L240 PolarHBondContact O-N 3.24Å; A238-L240 VanDerWaalsContact C-N 3.29Å; A238-L240 PolarHBondContact O-N 3.09Å
241V96.9Very high94.1Very high1 Ų123.9 Ų23.91%0.00613%0.13CC..Hα-helixtrans-62.5-47.4169.3173.40000109.8T21 V24 L237 A238 E243 T244 L245 V279 T283T21-V241 HydrophobicContact CG2-CG2 4.24Å; V24-V241 HydrophobicContact CB-CG2 3.86Å; V24-V241 HydrophobicContact CG1-CG2 3.66Å; V24-V241 HydrophobicContact CG2-CG2 4.17Å; L237-V241 WeakPolarHBondContact O-CG2 3.21Å; L237-V241 PolarHBondContact O-N 3.29Å; A238-V241 PolarHBondContact O-N 3.29Å; V241-E243 PolarHBondContact O-N 3.18Å; V241-T244 PolarHBondContact O-N 2.69Å; V241-T244 PolarHBondContact O-OG1 2.94Å; V241-L245 HydrophobicContact CG1-CB 4.28Å; V241-L245 HydrophobicContact CG1-CD2 3.89Å; V241-L245 WeakPolarHBondContact O-CB 3.4Å; V241-L245 PolarHBondContact O-N 3.47Å; V241-V279 HydrophobicContact CB-CG1 3.83Å; V241-V279 HydrophobicContact CG1-CG1 3.88Å; V241-V279 HydrophobicContact CG1-CG2 4.25Å; V241-V279 HydrophobicContact CG2-CG1 4.08Å; V241-T283 HydrophobicContact CG2-CG2 4.35Å
242L95.8Very high93.9Very high2 Ų226 Ų261%0.0115%0.147CC..Hα-helixtrans-73.9-24.2-172.5-69165.2000114.2Y166 A238 N239 T244 L245 Q246 V275 Y276 V279Y166-L242 HydrophobicContact CD1-CB 3.9Å; Y166-L242 HydrophobicContact CD1-CD1 4.37Å; Y166-L242 HydrophobicContact CD2-CB 4.21Å; Y166-L242 HydrophobicContact CD2-CD1 4.12Å; Y166-L242 HydrophobicContact CE1-CB 3.83Å; Y166-L242 HydrophobicContact CE2-CB 4.15Å; Y166-L242 HydrophobicContact CG-CB 4.11Å; Y166-L242 HydrophobicContact CG-CD1 3.89Å; A238-L242 WeakPolarHBondContact O-CB 3.15Å; A238-L242 VanDerWaalsContact O-CD1 3.31Å; A238-L242 WeakPolarHBondContact O-CD1 3.28Å; A238-L242 WeakPolarHBondContact O-CG 3.3Å; A238-L242 PolarHBondContact O-N 2.91Å; A238-L242 VanDerWaalsContact O-N 3.07Å; N239-L242 CarbonylContact O-C 3.53Å; N239-L242 PolarHBondContact O-N 2.93Å; N239-L242 VanDerWaalsContact O-N 3.16Å; L242-T244 PolarHBondContact O-N 3.32Å; L242-T244 VanDerWaalsContact O-N 3.13Å; L242-L245 HydrophobicContact CD2-CD2 4.33Å; L242-L245 PolarHBondContact O-N 3.29Å; L242-Q246 HydrophobicContact CB-CB 4.49Å; L242-Q246 WeakPolarHBondContact O-CB 3.47Å; L242-Q246 PolarHBondContact O-N 3.3Å; L242-V275 HydrophobicContact CD2-CG1 3.9Å; L242-Y276 HydrophobicContact CD1-CD2 3.54Å; L242-Y276 HydrophobicContact CD1-CE2 4.41Å; L242-Y276 HydrophobicContact CD1-CG 4.33Å; L242-V279 HydrophobicContact CD2-CG2 4.39Å
243E91.9Very high93.6Very high38 Ų3824.1 Ų24.118%0.17813%0.134CC..Hα-helixtrans-50.1-35.7168.9-172.9177-103.600111.5R217 H222 W226 N239 V241R217-E243 IonicContact CZ-OE1 3.79Å; R217-E243 IonicContact NE-OE1 2.74Å; R217-E243 PolarHBondContact NE-OE1 3.27Å; R217-E243 VanDerWaalsContact NE-OE1 3.14Å; R217-E243 IonicContact NE-OE2 3.99Å; R217-E243 PolarHBondContact NE-OE2 2.97Å; R217-E243 IonicContact NH2-OE1 3.92Å; R217-E243 PolarHBondContact NH2-OE1 3Å; R217-E243 IonicContact NH2-OE2 3.62Å; H222-E243 IonicContact CE1-OE2 2.88Å; H222-E243 PolarHBondContact CE1-OE2 3.2Å; H222-E243 IonicContact ND1-OE1 3.53Å; H222-E243 IonicContact ND1-OE2 3.86Å; H222-E243 PolarHBondContact ND1-OE2 2.83Å; W226-E243 PolarHBondContact NE1-OE1 3.39Å; N239-E243 PolarHBondContact O-N 3.31Å; V241-E243 PolarHBondContact O-N 3.18Å
244T89.6Confident93.1Very high59 Ų5923 Ų2336%0.36213%0.126SC..Hα-helixtrans-104.1-35.717860.10000114.4V241 L242V241-T244 PolarHBondContact O-N 2.69Å; V241-T244 PolarHBondContact O-OG1 2.94Å; L242-T244 PolarHBondContact O-N 3.32Å; L242-T244 VanDerWaalsContact O-N 3.13Å
245L93.3Very high92.7Very high2 Ų226.7 Ų26.71%0.0115%0.151CC..Hα-helixtrans-77.5-33.2-176179.362.4000113.4M16 I17 R20 V241 L242 E248 L249 V275 V279M16-L245 HydrophobicContact CE-CD1 4.45Å; M16-L245 HydrophobicContact SD-CD1 4.27Å; I17-L245 HydrophobicContact CB-CD2 4.49Å; I17-L245 HydrophobicContact CG1-CD2 4.27Å; I17-L245 HydrophobicContact CG2-CD2 4.09Å; R20-L245 HydrophobicContact CB-CD1 4.23Å; R20-L245 HydrophobicContact CG-CD1 4.09Å; V241-L245 HydrophobicContact CG1-CB 4.28Å; V241-L245 HydrophobicContact CG1-CD2 3.89Å; V241-L245 WeakPolarHBondContact O-CB 3.4Å; V241-L245 PolarHBondContact O-N 3.47Å; L242-L245 HydrophobicContact CD2-CD2 4.33Å; L242-L245 PolarHBondContact O-N 3.29Å; L245-E248 PolarHBondContact O-N 3.04Å; L245-L249 HydrophobicContact CD1-CD1 4.01Å; L245-L249 HydrophobicContact CD1-CG 3.95Å; L245-L249 HydrophobicContact CD2-CD1 4.3Å; L245-L249 HydrophobicContact CG-CD1 3.77Å; L245-L249 HydrophobicContact CG-CG 4.17Å; L245-L249 WeakPolarHBondContact O-CG 3.15Å; L245-L249 PolarHBondContact O-N 3.47Å; L245-V275 HydrophobicContact CD2-CG1 4.3Å; L245-V279 HydrophobicContact CD2-CG2 4.28Å
246Q91.4Very high92.2Very high31 Ų3133.2 Ų33.215%0.14518%0.175CC..Hα-helixtrans-64.4-43.5-176.5-167.7-111.855.600111.9P165 Y166 L242 R250 W268P165-Q246 PolarHBondContact O-NE2 3.48Å; Y166-Q246 HydrophobicContact CD1-CB 4.34Å; Y166-Q246 HydrophobicContact CD1-CG 4.08Å; Y166-Q246 HydrophobicContact CE1-CB 4.18Å; Y166-Q246 HydrophobicContact CE1-CG 4.25Å; L242-Q246 HydrophobicContact CB-CB 4.49Å; L242-Q246 WeakPolarHBondContact O-CB 3.47Å; L242-Q246 PolarHBondContact O-N 3.3Å; Q246-R250 VanDerWaalsContact O-CB 3.24Å; Q246-R250 WeakPolarHBondContact O-CB 3.48Å; Q246-R250 PolarHBondContact O-N 2.89Å; Q246-W268 HydrophobicContact CG-CZ2 4.05Å
247P90.6Very high91.8Very high57 Ų5733.4 Ų33.437%0.3718%0.176SC..Hα-helixtrans-60.6-43.1170.7-26.135.8000114.8R250 N251P247-R250 PolarHBondContact O-N 3.22Å; P247-N251 VanDerWaalsContact O-CG 3.3Å; P247-N251 PolarHBondContact O-N 2.96Å
248E91.4Very high91.2Very high77 Ų7741.8 Ų41.836%0.3621%0.212SC..Hα-helixtrans-59.4-49.4178.4-179.5172-148.100110.7R20 L245 N251 A252R20-E248 IonicContact CZ-OE1 3.63Å; R20-E248 IonicContact CZ-OE2 2.77Å; R20-E248 IonicContact NE-OE1 2.86Å; R20-E248 IonicContact NE-OE2 3.21Å; R20-E248 PolarHBondContact NE-OE2 2.96Å; R20-E248 IonicContact NH2-OE1 3.55Å; R20-E248 PolarHBondContact NH2-OE1 3.22Å; R20-E248 IonicContact NH2-OE2 3.95Å; R20-E248 PolarHBondContact NH2-OE2 3.12Å; L245-E248 PolarHBondContact O-N 3.04Å; E248-N251 PolarHBondContact O-N 2.78Å; E248-A252 WeakPolarHBondContact O-CB 3.49Å; E248-A252 PolarHBondContact O-N 3.31Å; E248-A252 VanDerWaalsContact O-N 3.13Å
249L91.3Very high90.5Very high5 Ų544 Ų443%0.02624%0.235CC..Hα-helixtrans-64-40.5175.7-70.1175000112.4M16 I17 L245 N251 A252 I253 W268 V275M16-L249 HydrophobicContact CE-CD2 3.67Å; I17-L249 HydrophobicContact CD1-CD1 4.25Å; I17-L249 HydrophobicContact CD1-CD2 4.4Å; I17-L249 HydrophobicContact CG1-CD1 4.24Å; I17-L249 HydrophobicContact CG1-CD2 4.37Å; L245-L249 HydrophobicContact CD1-CD1 4.01Å; L245-L249 HydrophobicContact CD1-CG 3.95Å; L245-L249 HydrophobicContact CD2-CD1 4.3Å; L245-L249 HydrophobicContact CG-CD1 3.77Å; L245-L249 HydrophobicContact CG-CG 4.17Å; L245-L249 WeakPolarHBondContact O-CG 3.15Å; L245-L249 PolarHBondContact O-N 3.47Å; L249-N251 VanDerWaalsContact C-N 3.32Å; L249-N251 PolarHBondContact O-N 3.4Å; L249-A252 PolarHBondContact O-N 3.12Å; L249-I253 HydrophobicContact CB-CD1 4.45Å; L249-I253 HydrophobicContact CD2-CD1 4.31Å; L249-I253 VanDerWaalsContact O-CB 3.24Å; L249-I253 WeakPolarHBondContact O-CB 3.36Å; L249-I253 VanDerWaalsContact O-CG1 3.3Å; L249-I253 WeakPolarHBondContact O-CG1 3.21Å; L249-I253 PolarHBondContact O-N 3.16Å; L249-W268 HydrophobicContact CB-CH2 4.11Å; L249-V275 HydrophobicContact CD1-CB 4.43Å; L249-V275 HydrophobicContact CD1-CG1 3.79Å; L249-V275 HydrophobicContact CD1-CG2 3.92Å
250R89.1Confident89.9Confident44 Ų4450.1 Ų50.117%0.16626%0.261CS..Hα-helixtrans-60.5-43.3-179.5-164.1178.893.6171.4-1.5111.5S138 L139 Q246 P247 G254 W268S138-R250 VanDerWaalsContact C-NH1 3.34Å; S138-R250 VanDerWaalsContact O-CD 3.25Å; S138-R250 WeakPolarHBondContact O-CD 3.43Å; S138-R250 PolarHBondContact O-NH1 3.5Å; L139-R250 HydrophobicContact CD2-CG 3.69Å; Q246-R250 VanDerWaalsContact O-CB 3.24Å; Q246-R250 WeakPolarHBondContact O-CB 3.48Å; Q246-R250 PolarHBondContact O-N 2.89Å; P247-R250 PolarHBondContact O-N 3.22Å; R250-G254 VanDerWaalsContact O-CA 3.29Å; R250-G254 WeakPolarHBondContact O-CA 3.45Å; R250-G254 PolarHBondContact O-N 3.17Å; R250-W268 HydrophobicContact CB-CH2 3.67Å; R250-W268 HydrophobicContact CB-CZ2 3.53Å; R250-W268 HydrophobicContact CB-CZ3 4.5Å; R250-W268 HydrophobicContact CG-CH2 4.11Å; R250-W268 HydrophobicContact CG-CZ2 3.62Å
251N89Confident89.1Confident87 Ų8751.6 Ų51.647%0.46527%0.269SS..Hα-helixtrans-73-33.7-179.7-64.2-5.4000111.2P247 E248 L249 P255P247-N251 VanDerWaalsContact O-CG 3.3Å; P247-N251 PolarHBondContact O-N 2.96Å; E248-N251 PolarHBondContact O-N 2.78Å; L249-N251 VanDerWaalsContact C-N 3.32Å; L249-N251 PolarHBondContact O-N 3.4Å; N251-P255 VanDerWaalsContact O-CD 3.25Å; N251-P255 WeakPolarHBondContact O-CD 3.34Å; N251-P255 WeakPolarHBondContact O-CG 3.39Å
252A88.9Confident88.2Confident43 Ų4352.4 Ų52.436%0.35527%0.273SS..Hα-helixtrans-76.1-28.4176.700000114.8E248 L249 R256E248-A252 WeakPolarHBondContact O-CB 3.49Å; E248-A252 PolarHBondContact O-N 3.31Å; E248-A252 VanDerWaalsContact O-N 3.13Å; L249-A252 PolarHBondContact O-N 3.12Å; A252-R256 PolarHBondContact O-NE 3.31Å
253I89.8Confident87.5Confident0 Ų055.5 Ų55.50%029%0.289CS..Hα-helixtrans-107.7-46.2-172.7-61.5179.9000112.1H8 L9 L249 R256 L257 W268 I271H8-I253 HydrophobicContact CB-CG2 4.26Å; L9-I253 HydrophobicContact CD2-CD1 4.34Å; L249-I253 HydrophobicContact CB-CD1 4.45Å; L249-I253 HydrophobicContact CD2-CD1 4.31Å; L249-I253 VanDerWaalsContact O-CB 3.24Å; L249-I253 WeakPolarHBondContact O-CB 3.36Å; L249-I253 VanDerWaalsContact O-CG1 3.3Å; L249-I253 WeakPolarHBondContact O-CG1 3.21Å; L249-I253 PolarHBondContact O-N 3.16Å; I253-R256 WeakPolarHBondContact O-CA 3.27Å; I253-R256 WeakPolarHBondContact O-CB 3.42Å; I253-R256 PolarHBondContact O-N 2.97Å; I253-L257 HydrophobicContact CG2-CD2 3.92Å; I253-L257 HydrophobicContact CG2-CG 4.27Å; I253-L257 PolarHBondContact O-N 3.4Å; I253-W268 HydrophobicContact CB-CZ3 4.3Å; I253-W268 HydrophobicContact CG2-CZ3 4.48Å; I253-I271 HydrophobicContact CD1-CG2 4.03Å; I253-I271 HydrophobicContact CG2-CD1 3.93Å
254G86.7Confident87.2Confident1 Ų155.5 Ų55.51%0.0129%0.288CS..G310 helixtrans-48.4-46.9-17400000114.8R250 R256 L257 R264R250-G254 VanDerWaalsContact O-CA 3.29Å; R250-G254 WeakPolarHBondContact O-CA 3.45Å; R250-G254 PolarHBondContact O-N 3.17Å; G254-R256 PolarHBondContact O-N 2.66Å; G254-L257 PolarHBondContact O-N 3.14Å; G254-R264 PolarHBondContact O-NH2 3.25Å
255P86.8Confident86.9Confident94 Ų9452.7 Ų52.761%0.6127%0.271SS*.G310 helixtrans-62-26.3175.1-26.436.4000114.6N251N251-P255 VanDerWaalsContact O-CD 3.25Å; N251-P255 WeakPolarHBondContact O-CD 3.34Å; N251-P255 WeakPolarHBondContact O-CG 3.39Å
256R87.6Confident86.5Confident156 Ų15655.8 Ų55.859%0.58928%0.282SS*.G310 helixtrans-84.4-16.2-178.2-49.1-173.6-169.7-148.8-4.8113.3A252 I253 G254 K258A252-R256 PolarHBondContact O-NE 3.31Å; I253-R256 WeakPolarHBondContact O-CA 3.27Å; I253-R256 WeakPolarHBondContact O-CB 3.42Å; I253-R256 PolarHBondContact O-N 2.97Å; G254-R256 PolarHBondContact O-N 2.66Å; R256-K258 PolarHBondContact O-N 3.13Å
257L88.1Confident86.3Confident4 Ų457 Ų572%0.02129%0.287CS..  trans-66.6124-178.7-60.7177.8000111.4I253 G254 R264 K267 W268 I271I253-L257 HydrophobicContact CG2-CD2 3.92Å; I253-L257 HydrophobicContact CG2-CG 4.27Å; I253-L257 PolarHBondContact O-N 3.4Å; G254-L257 PolarHBondContact O-N 3.14Å; L257-R264 HydrophobicContact CB-CB 4.06Å; L257-R264 HydrophobicContact CB-CG 3.85Å; L257-R264 HydrophobicContact CD1-CB 4.36Å; L257-R264 WeakPolarHBondContact CD1-O 3.24Å; L257-R264 WeakPolarHBondContact O-CD 3.39Å; L257-R264 VanDerWaalsContact O-CZ 3.25Å; L257-R264 PolarHBondContact O-NE 2.89Å; L257-K267 HydrophobicContact CD2-CB 4.24Å; L257-W268 HydrophobicContact CD1-CB 3.96Å; L257-I271 HydrophobicContact CD2-CD1 3.83Å
258K85.9Confident86.3Confident176 Ų17654.5 Ų54.577%0.76527%0.27SS*.  trans-97.4131.3179.9-60.6178.7-176.9176.10111.9R256 K267R256-K258 PolarHBondContact O-N 3.13Å; K258-K267 PolarHBondContact O-NZ 3.27Å
259G83.8Confident86.1Confident46 Ų4651.9 Ų51.947%0.47426%0.258SS..SBendtrans145.7-171.2174.600000112.9
260K82.8Confident86.1Confident130 Ų13053.3 Ų53.357%0.56527%0.266SS*.SBendtrans-66.5171.1163.9-63.8-179.9177.3-178.70110.3Q262 D263 R264K260-Q262 VanDerWaalsContact C-N 3.31Å; K260-Q262 PolarHBondContact O-N 2.94Å; K260-D263 WeakPolarHBondContact CB-OD2 3.07Å; K260-D263 PolarHBondContact N-OD2 3.12Å; K260-D263 PolarHBondContact O-N 2.91Å; K260-D263 VanDerWaalsContact O-N 3.16Å; K260-R264 WeakPolarHBondContact O-CG 3.37Å; K260-R264 PolarHBondContact O-N 2.76Å
261L80.9Confident86.2Confident30 Ų3051.3 Ų51.316%0.15726%0.258CS..Hα-helixtrans-51.4-49.6177.7-176.558.2000111.9I142 A144 D263 R264 Q265I142-L261 HydrophobicContact CB-CD1 4.2Å; I142-L261 HydrophobicContact CG2-CD1 3.86Å; A144-L261 HydrophobicContact CB-CB 3.97Å; A144-L261 HydrophobicContact CB-CD1 4.3Å; L261-D263 PolarHBondContact O-N 3.34Å; L261-R264 CarbonylContact O-C 3.59Å; L261-R264 WeakPolarHBondContact O-CA 3.33Å; L261-R264 WeakPolarHBondContact O-CB 3.47Å; L261-R264 PolarHBondContact O-N 3.12Å; L261-R264 VanDerWaalsContact O-N 3.08Å; L261-Q265 WeakPolarHBondContact O-CG 3.46Å; L261-Q265 PolarHBondContact O-N 2.98Å; L261-Q265 PolarHBondContact O-OE1 3.42Å
262Q77.4Confident86.4Confident18 Ų1847.4 Ų47.48%0.08424%0.238CC..Hα-helixtrans-64.5-38.5178.4-68160.3-33.300113.7M132 S147 A149 F151 K260 R264 Q265 R266M132-Q262 HydrophobicContact CE-CG 4.38Å; S147-Q262 PolarHBondContact O-NE2 2.7Å; S147-Q262 VanDerWaalsContact O-NE2 3.13Å; S147-Q262 PolarHBondContact OG-OE1 3.33Å; S147-Q262 VanDerWaalsContact OG-OE1 3.12Å; A149-Q262 PolarHBondContact O-NE2 3.48Å; A149-Q262 PolarHBondContact O-OE1 3.32Å; F151-Q262 HydrophobicContact CB-CB 4.02Å; F151-Q262 HydrophobicContact CB-CG 4.37Å; F151-Q262 HydrophobicContact CD1-CB 4.38Å; F151-Q262 HydrophobicContact CD1-CG 4.27Å; F151-Q262 HydrophobicContact CG-CB 4.4Å; K260-Q262 VanDerWaalsContact C-N 3.31Å; K260-Q262 PolarHBondContact O-N 2.94Å; Q262-R264 PolarHBondContact O-N 3.43Å; Q262-Q265 PolarHBondContact O-N 3.44Å; Q262-R266 WeakPolarHBondContact O-CB 3.24Å; Q262-R266 PolarHBondContact O-N 3.26Å
263D81.4Confident86.6Confident67 Ų6746 Ų4636%0.35822%0.224SC..Hα-helixtrans-61.8-36.1173.3-64.5-58.3000110.9K260 L261 K267K260-D263 WeakPolarHBondContact CB-OD2 3.07Å; K260-D263 PolarHBondContact N-OD2 3.12Å; K260-D263 PolarHBondContact O-N 2.91Å; K260-D263 VanDerWaalsContact O-N 3.16Å; L261-D263 PolarHBondContact O-N 3.34Å; D263-K267 WeakPolarHBondContact O-CB 3.11Å; D263-K267 WeakPolarHBondContact O-CD 3.35Å; D263-K267 WeakPolarHBondContact O-CG 3.5Å; D263-K267 PolarHBondContact O-N 3.48Å; D263-K267 VanDerWaalsContact O-N 3.11Å
264R85.7Confident86.9Confident38 Ų3846.6 Ų46.614%0.14323%0.229CC..Hα-helixtrans-74.9-42.6178.8-63.5171.171159.76.1110.9I142 G254 L257 K260 L261 Q262 K267 W268I142-R264 VanDerWaalsContact CG2-CZ 3.44Å; G254-R264 PolarHBondContact O-NH2 3.25Å; L257-R264 HydrophobicContact CB-CB 4.06Å; L257-R264 HydrophobicContact CB-CG 3.85Å; L257-R264 HydrophobicContact CD1-CB 4.36Å; L257-R264 WeakPolarHBondContact CD1-O 3.24Å; L257-R264 WeakPolarHBondContact O-CD 3.39Å; L257-R264 VanDerWaalsContact O-CZ 3.25Å; L257-R264 PolarHBondContact O-NE 2.89Å; K260-R264 WeakPolarHBondContact O-CG 3.37Å; K260-R264 PolarHBondContact O-N 2.76Å; L261-R264 CarbonylContact O-C 3.59Å; L261-R264 WeakPolarHBondContact O-CA 3.33Å; L261-R264 WeakPolarHBondContact O-CB 3.47Å; L261-R264 PolarHBondContact O-N 3.12Å; L261-R264 VanDerWaalsContact O-N 3.08Å; Q262-R264 PolarHBondContact O-N 3.43Å; R264-K267 PolarHBondContact O-N 3.36Å; R264-W268 VanDerWaalsContact O-CB 3.32Å; R264-W268 WeakPolarHBondContact O-CB 3.44Å; R264-W268 PolarHBondContact O-N 3.16Å
265Q83.9Confident87.3Confident1 Ų146.7 Ų46.71%0.00523%0.229CC..Hα-helixtrans-57.4-52.2172.3-74.9163.9-5100111.5L135 N136 L139 L261 Q262 K267 W268 M269L135-Q265 VanDerWaalsContact C-NE2 3.35Å; L135-Q265 HydrophobicContact CD1-CB 4.16Å; L135-Q265 HydrophobicContact CD2-CB 3.91Å; L135-Q265 HydrophobicContact CD2-CG 4.37Å; L135-Q265 HydrophobicContact CG-CB 3.9Å; L135-Q265 HydrophobicContact CG-CG 4.05Å; L135-Q265 PolarHBondContact O-NE2 3.01Å; N136-Q265 PolarHBondContact OD1-NE2 3.18Å; L139-Q265 HydrophobicContact CD1-CB 4.33Å; L139-Q265 HydrophobicContact CD1-CG 3.81Å; L261-Q265 WeakPolarHBondContact O-CG 3.46Å; L261-Q265 PolarHBondContact O-N 2.98Å; L261-Q265 PolarHBondContact O-OE1 3.42Å; Q262-Q265 PolarHBondContact O-N 3.44Å; Q265-K267 PolarHBondContact O-N 3.22Å; Q265-W268 WeakPolarHBondContact O-CB 3.31Å; Q265-W268 PolarHBondContact O-N 3.5Å; Q265-W268 VanDerWaalsContact O-N 3.1Å; Q265-M269 WeakPolarHBondContact O-CG 3.38Å; Q265-M269 PolarHBondContact O-N 2.9Å
266R83.9Confident87.8Confident66 Ų6643 Ų4325%0.24920%0.204CC..Hα-helixtrans-57.4-45.4176.5-177.3-177.5169.7-116.4-19.3112.5E80 Q262 W268 M269 L270E80-R266 IonicContact OE1-CZ 3.21Å; E80-R266 IonicContact OE1-NE 3.48Å; E80-R266 PolarHBondContact OE1-NE 3.34Å; E80-R266 IonicContact OE1-NH2 3.75Å; E80-R266 PolarHBondContact OE1-NH2 2.93Å; Q262-R266 WeakPolarHBondContact O-CB 3.24Å; Q262-R266 PolarHBondContact O-N 3.26Å; R266-W268 VanDerWaalsContact C-N 3.31Å; R266-W268 PolarHBondContact O-N 2.96Å; R266-M269 PolarHBondContact O-N 2.78Å; R266-L270 PolarHBondContact O-N 3.31Å; R266-L270 VanDerWaalsContact O-N 3.15Å
267K87.7Confident88.2Confident58 Ų5842.7 Ų42.725%0.25220%0.202SC..Hα-helixtrans-64.3-35.1176.6-73.3174.4-173.7-177.80112.6V4 L257 K258 D263 R264 Q265 I271V4-K267 HydrophobicContact CG1-CB 3.78Å; V4-K267 HydrophobicContact CG1-CD 4.22Å; V4-K267 HydrophobicContact CG1-CG 3.77Å; V4-K267 HydrophobicContact CG2-CD 4.17Å; V4-K267 HydrophobicContact CG2-CG 4.02Å; L257-K267 HydrophobicContact CD2-CB 4.24Å; K258-K267 PolarHBondContact O-NZ 3.27Å; D263-K267 WeakPolarHBondContact O-CB 3.11Å; D263-K267 WeakPolarHBondContact O-CD 3.35Å; D263-K267 WeakPolarHBondContact O-CG 3.5Å; D263-K267 PolarHBondContact O-N 3.48Å; D263-K267 VanDerWaalsContact O-N 3.11Å; R264-K267 PolarHBondContact O-N 3.36Å; Q265-K267 PolarHBondContact O-N 3.22Å; K267-I271 VanDerWaalsContact O-CD1 3.31Å; K267-I271 WeakPolarHBondContact O-CD1 3.41Å; K267-I271 VanDerWaalsContact O-CG1 3.23Å; K267-I271 WeakPolarHBondContact O-CG1 3.48Å; K267-I271 PolarHBondContact O-N 3.05Å; K267-I271 VanDerWaalsContact O-N 3.12Å
268W90.1Very high88.5Confident4 Ų443.9 Ų43.92%0.01521%0.208CC..Hα-helixtrans-67.9-41.8175.2178.3-123.8000111.8L139 Q246 L249 R250 I253 L257 R264 Q265 R266 L270 I271 S272L139-W268 HydrophobicContact CD1-CB 3.69Å; L139-W268 HydrophobicContact CD1-CG 3.8Å; L139-W268 HydrophobicContact CD2-CD2 4.33Å; L139-W268 HydrophobicContact CD2-CG 3.97Å; L139-W268 HydrophobicContact CG-CB 4.49Å; L139-W268 VanDerWaalsContact CG-CD1 3.5Å; L139-W268 HydrophobicContact CG-CG 4.06Å; Q246-W268 HydrophobicContact CG-CZ2 4.05Å; L249-W268 HydrophobicContact CB-CH2 4.11Å; R250-W268 HydrophobicContact CB-CH2 3.67Å; R250-W268 HydrophobicContact CB-CZ2 3.53Å; R250-W268 HydrophobicContact CB-CZ3 4.5Å; R250-W268 HydrophobicContact CG-CH2 4.11Å; R250-W268 HydrophobicContact CG-CZ2 3.62Å; I253-W268 HydrophobicContact CB-CZ3 4.3Å; I253-W268 HydrophobicContact CG2-CZ3 4.48Å; L257-W268 HydrophobicContact CD1-CB 3.96Å; R264-W268 VanDerWaalsContact O-CB 3.32Å; R264-W268 WeakPolarHBondContact O-CB 3.44Å; R264-W268 PolarHBondContact O-N 3.16Å; Q265-W268 WeakPolarHBondContact O-CB 3.31Å; Q265-W268 PolarHBondContact O-N 3.5Å; Q265-W268 VanDerWaalsContact O-N 3.1Å; R266-W268 VanDerWaalsContact C-N 3.31Å; R266-W268 PolarHBondContact O-N 2.96Å; W268-L270 PolarHBondContact O-N 2.94Å; W268-I271 HydrophobicContact CE3-CB 4.49Å; W268-I271 HydrophobicContact CE3-CG2 4.39Å; W268-I271 HydrophobicContact CZ3-CG2 4.25Å; W268-I271 PolarHBondContact O-N 3.16Å; W268-S272 WeakPolarHBondContact O-CB 3.18Å; W268-S272 PolarHBondContact O-N 3.43Å
269M88.3Confident89.1Confident21 Ų2135.5 Ų35.510%0.10317%0.171CC..Hα-helixtrans-59.7-45174.2-61.2-56.8100.400111.9L135 H169 Q265 R266 I271 S272 D273L135-M269 HydrophobicContact CD1-CE 4.09Å; L135-M269 HydrophobicContact CD1-CG 3.94Å; L135-M269 HydrophobicContact CD1-SD 3.87Å; H169-M269 PolarHBondContact CE1-SD 3.48Å; Q265-M269 WeakPolarHBondContact O-CG 3.38Å; Q265-M269 PolarHBondContact O-N 2.9Å; R266-M269 PolarHBondContact O-N 2.78Å; M269-I271 VanDerWaalsContact C-N 3.31Å; M269-I271 PolarHBondContact O-N 3.19Å; M269-S272 PolarHBondContact O-N 2.93Å; M269-D273 WeakPolarHBondContact O-CB 3.29Å; M269-D273 PolarHBondContact O-N 2.82Å
270L89.5Confident89.7Confident36 Ų3635.3 Ų35.319%0.18816%0.159CC..Hα-helixtrans-61.8-36.2176.5-71.9170.4000113.2V5 R266 W268 A274V5-L270 HydrophobicContact CG2-CB 4.39Å; R266-L270 PolarHBondContact O-N 3.31Å; R266-L270 VanDerWaalsContact O-N 3.15Å; W268-L270 PolarHBondContact O-N 2.94Å; L270-A274 WeakPolarHBondContact O-CB 3.46Å; L270-A274 PolarHBondContact O-N 3.17Å
271I92.4Very high90.4Very high1 Ų134.2 Ų34.21%0.00516%0.163CC..Hα-helixtrans-73-45.2175.5-68.1162000110.2V4 H8 L9 I253 L257 K267 W268 M269 D273 A274 V275V4-I271 HydrophobicContact CG1-CD1 4.06Å; V4-I271 HydrophobicContact CG1-CG1 4.26Å; H8-I271 HydrophobicContact CB-CD1 3.78Å; H8-I271 HydrophobicContact CB-CG1 4.37Å; L9-I271 HydrophobicContact CD1-CG2 4.44Å; L9-I271 HydrophobicContact CD2-CG2 4.11Å; L9-I271 HydrophobicContact CG-CG2 4.23Å; I253-I271 HydrophobicContact CD1-CG2 4.03Å; I253-I271 HydrophobicContact CG2-CD1 3.93Å; L257-I271 HydrophobicContact CD2-CD1 3.83Å; K267-I271 VanDerWaalsContact O-CD1 3.31Å; K267-I271 WeakPolarHBondContact O-CD1 3.41Å; K267-I271 VanDerWaalsContact O-CG1 3.23Å; K267-I271 WeakPolarHBondContact O-CG1 3.48Å; K267-I271 PolarHBondContact O-N 3.05Å; K267-I271 VanDerWaalsContact O-N 3.12Å; W268-I271 HydrophobicContact CE3-CB 4.49Å; W268-I271 HydrophobicContact CE3-CG2 4.39Å; W268-I271 HydrophobicContact CZ3-CG2 4.25Å; W268-I271 PolarHBondContact O-N 3.16Å; M269-I271 VanDerWaalsContact C-N 3.31Å; M269-I271 PolarHBondContact O-N 3.19Å; I271-D273 PolarHBondContact O-N 2.96Å; I271-A274 PolarHBondContact O-N 3.21Å; I271-V275 WeakPolarHBondContact O-CG2 3.38Å; I271-V275 PolarHBondContact O-N 3.25Å
272S93.2Very high91.1Very high6 Ų634.6 Ų34.64%0.04217%0.165CC..Hα-helixtrans-58.1-47.8178.4-171.50000111.1Y166 W268 M269 A274 V275 Y276Y166-S272 WeakPolarHBondContact CA-OG 3.24Å; Y166-S272 CarbonylContact O-C 3.6Å; Y166-S272 WeakPolarHBondContact O-CB 3.4Å; Y166-S272 PolarHBondContact O-OG 2.85Å; W268-S272 WeakPolarHBondContact O-CB 3.18Å; W268-S272 PolarHBondContact O-N 3.43Å; M269-S272 PolarHBondContact O-N 2.93Å; S272-A274 PolarHBondContact O-N 3.03Å; S272-V275 CarbonylContact O-C 3.54Å; S272-V275 PolarHBondContact O-N 3Å; S272-V275 VanDerWaalsContact O-N 3.1Å; S272-Y276 PolarHBondContact O-N 2.88Å
273D93.6Very high92.1Very high12 Ų1233.8 Ų33.86%0.06416%0.161CC..Hα-helixtrans-60.1-42176.6173.471.9000112.7Y166 R168 M269 I271 V275 Y276 R277Y166-D273 PolarHBondContact O-N 3.3Å; R168-D273 HydrophobicContact CB-CB 4.25Å; R168-D273 WeakPolarHBondContact CB-OD1 3.28Å; R168-D273 PolarHBondContact N-OD1 3.33Å; M269-D273 WeakPolarHBondContact O-CB 3.29Å; M269-D273 PolarHBondContact O-N 2.82Å; I271-D273 PolarHBondContact O-N 2.96Å; D273-V275 VanDerWaalsContact C-N 3.28Å; D273-V275 PolarHBondContact O-N 3.21Å; D273-Y276 PolarHBondContact O-N 2.86Å; D273-R277 WeakPolarHBondContact O-CB 3.32Å; D273-R277 WeakPolarHBondContact O-CG 3.23Å; D273-R277 PolarHBondContact O-N 3.38Å; D273-R277 IonicContact OD1-NE 3.2Å; D273-R277 IonicContact OD2-CZ 2.79Å; D273-R277 IonicContact OD2-NE 2.65Å; D273-R277 PolarHBondContact OD2-NE 2.92Å; D273-R277 IonicContact OD2-NH2 3.08Å; D273-R277 PolarHBondContact OD2-NH2 3.37Å
274A94.7Very high92.8Very high13 Ų1334.8 Ų34.811%0.10717%0.166CC..Hα-helixtrans-66.3-29.217600000113V5 L9 L270 I271 S272 Q278V5-A274 HydrophobicContact CG1-CB 3.47Å; V5-A274 VanDerWaalsContact CG1-CB 3.47Å; V5-A274 HydrophobicContact CG2-CB 4.28Å; L9-A274 HydrophobicContact CD1-CB 3.79Å; L270-A274 WeakPolarHBondContact O-CB 3.46Å; L270-A274 PolarHBondContact O-N 3.17Å; I271-A274 PolarHBondContact O-N 3.21Å; S272-A274 PolarHBondContact O-N 3.03Å; A274-Q278 WeakPolarHBondContact O-CB 3.28Å; A274-Q278 PolarHBondContact O-N 3.47Å
275V96.4Very high93.3Very high3 Ų335.1 Ų35.12%0.01818%0.181CC..Hα-helixtrans-75.7-46.5170.8-179.40000110.5L9 I17 L242 L245 L249 I271 S272 D273 R277 Q278 V279L9-V275 HydrophobicContact CD1-CG2 3.72Å; L9-V275 HydrophobicContact CD2-CG2 3.79Å; L9-V275 HydrophobicContact CG-CG2 4.42Å; I17-V275 HydrophobicContact CD1-CG1 4.15Å; I17-V275 HydrophobicContact CD1-CG2 3.92Å; I17-V275 HydrophobicContact CG1-CG1 4.47Å; I17-V275 HydrophobicContact CG2-CG1 4.23Å; L242-V275 HydrophobicContact CD2-CG1 3.9Å; L245-V275 HydrophobicContact CD2-CG1 4.3Å; L249-V275 HydrophobicContact CD1-CB 4.43Å; L249-V275 HydrophobicContact CD1-CG1 3.79Å; L249-V275 HydrophobicContact CD1-CG2 3.92Å; I271-V275 WeakPolarHBondContact O-CG2 3.38Å; I271-V275 PolarHBondContact O-N 3.25Å; S272-V275 CarbonylContact O-C 3.54Å; S272-V275 PolarHBondContact O-N 3Å; S272-V275 VanDerWaalsContact O-N 3.1Å; D273-V275 VanDerWaalsContact C-N 3.28Å; D273-V275 PolarHBondContact O-N 3.21Å; V275-R277 VanDerWaalsContact C-N 3.33Å; V275-R277 PolarHBondContact O-N 3.15Å; V275-Q278 PolarHBondContact O-N 2.98Å; V275-Q278 VanDerWaalsContact O-N 3.07Å; V275-V279 HydrophobicContact CG1-CG2 4.07Å; V275-V279 WeakPolarHBondContact O-CG2 3.5Å; V275-V279 PolarHBondContact O-N 3.46Å
276Y96.6Very high93.8Very high17 Ų1738 Ų387%0.06720%0.195CC..Hα-helixtrans-55.2-48177.8178.6-93000111.2H164 Y166 A167 A238 L242 S272 D273 Q278 V279 L280H164-Y276 AromaticContact CE1-CE2 3.73Å; Y166-Y276 HydrophobicContact CD2-CD2 4.43Å; Y166-Y276 HydrophobicContact CG-CD2 4.43Å; Y166-Y276 WeakPolarHBondContact O-CB 3.42Å; A167-Y276 HydrophobicContact CB-CD1 3.79Å; A167-Y276 HydrophobicContact CB-CE1 4.12Å; A167-Y276 HydrophobicContact CB-CG 4.06Å; A238-Y276 HydrophobicContact CB-CE2 4.3Å; L242-Y276 HydrophobicContact CD1-CD2 3.54Å; L242-Y276 HydrophobicContact CD1-CE2 4.41Å; L242-Y276 HydrophobicContact CD1-CG 4.33Å; S272-Y276 PolarHBondContact O-N 2.88Å; D273-Y276 PolarHBondContact O-N 2.86Å; Y276-Q278 PolarHBondContact O-N 2.67Å; Y276-V279 PolarHBondContact O-N 2.98Å; Y276-L280 HydrophobicContact CE1-CD2 3.84Å; Y276-L280 VanDerWaalsContact O-CB 3.24Å; Y276-L280 WeakPolarHBondContact O-CB 3.11Å; Y276-L280 PolarHBondContact O-N 3.32Å
277R95.6Very high94.5Very high150 Ų15035.9 Ų35.957%0.56619%0.187SC*.Hα-helixtrans-63.4-38.2175.7-70.7-169.8-80.1145.2-6.1112.8D273 V275 T281D273-R277 WeakPolarHBondContact O-CB 3.32Å; D273-R277 WeakPolarHBondContact O-CG 3.23Å; D273-R277 PolarHBondContact O-N 3.38Å; D273-R277 IonicContact OD1-NE 3.2Å; D273-R277 IonicContact OD2-CZ 2.79Å; D273-R277 IonicContact OD2-NE 2.65Å; D273-R277 PolarHBondContact OD2-NE 2.92Å; D273-R277 IonicContact OD2-NH2 3.08Å; D273-R277 PolarHBondContact OD2-NH2 3.37Å; V275-R277 VanDerWaalsContact C-N 3.33Å; V275-R277 PolarHBondContact O-N 3.15Å; R277-T281 PolarHBondContact O-N 2.96Å; R277-T281 PolarHBondContact O-OG1 2.92Å
278Q95.6Very high94.9Very high29 Ų2935 Ų3514%0.13619%0.191CC..Hα-helixtrans-65.7-44.8174.9-179.3176.7-3300112.1R14 I17 T18 A274 V275 Y276 Q282R14-Q278 PolarHBondContact O-NE2 3.49Å; I17-Q278 HydrophobicContact CG2-CG 4.44Å; T18-Q278 PolarHBondContact OG1-NE2 3.01Å; A274-Q278 WeakPolarHBondContact O-CB 3.28Å; A274-Q278 PolarHBondContact O-N 3.47Å; V275-Q278 PolarHBondContact O-N 2.98Å; V275-Q278 VanDerWaalsContact O-N 3.07Å; Y276-Q278 PolarHBondContact O-N 2.67Å; Q278-Q282 WeakPolarHBondContact O-CG 3.18Å; Q278-Q282 PolarHBondContact O-N 2.96Å
279V97.9Very high95.2Very high0 Ų037.7 Ų37.70%021%0.214CC..Hα-helixtrans-65.3-47.5178.7174.10000110.3I17 T21 A238 V241 L242 L245 V275 Y276 T281 Q282 T283I17-V279 HydrophobicContact CG2-CG2 3.95Å; T21-V279 HydrophobicContact CG2-CG1 4.2Å; A238-V279 HydrophobicContact CB-CG1 3.87Å; V241-V279 HydrophobicContact CB-CG1 3.83Å; V241-V279 HydrophobicContact CG1-CG1 3.88Å; V241-V279 HydrophobicContact CG1-CG2 4.25Å; V241-V279 HydrophobicContact CG2-CG1 4.08Å; L242-V279 HydrophobicContact CD2-CG2 4.39Å; L245-V279 HydrophobicContact CD2-CG2 4.28Å; V275-V279 HydrophobicContact CG1-CG2 4.07Å; V275-V279 WeakPolarHBondContact O-CG2 3.5Å; V275-V279 PolarHBondContact O-N 3.46Å; Y276-V279 PolarHBondContact O-N 2.98Å; V279-T281 VanDerWaalsContact C-N 3.35Å; V279-T281 PolarHBondContact O-N 3.04Å; V279-Q282 CarbonylContact O-C 3.18Å; V279-Q282 WeakPolarHBondContact O-CA 3.5Å; V279-Q282 WeakPolarHBondContact O-CB 3.46Å; V279-Q282 PolarHBondContact O-N 3.42Å; V279-T283 HydrophobicContact CG1-CG2 4.03Å; V279-T283 PolarHBondContact O-N 3.07Å; V279-T283 PolarHBondContact O-OG1 3.1Å
280L97Very high95.6Very high41 Ų4137.7 Ų37.722%0.21521%0.214CC..Hα-helixtrans-59.6-40.6-179.3-179.859.5000112.9P234 Q235 A238 Y276 Q282 T283 N284P234-L280 HydrophobicContact CB-CD1 4.05Å; P234-L280 WeakPolarHBondContact O-CD1 3.41Å; Q235-L280 HydrophobicContact CB-CD1 4.43Å; Q235-L280 HydrophobicContact CG-CD1 3.83Å; Q235-L280 HydrophobicContact CG-CD2 4.48Å; A238-L280 HydrophobicContact CB-CB 4.24Å; A238-L280 HydrophobicContact CB-CD1 4.26Å; Y276-L280 HydrophobicContact CE1-CD2 3.84Å; Y276-L280 VanDerWaalsContact O-CB 3.24Å; Y276-L280 WeakPolarHBondContact O-CB 3.11Å; Y276-L280 PolarHBondContact O-N 3.32Å; L280-Q282 VanDerWaalsContact C-N 3.25Å; L280-Q282 PolarHBondContact O-N 2.69Å; L280-T283 WeakPolarHBondContact CA-OG1 3.36Å; L280-T283 PolarHBondContact O-OG1 2.89Å; L280-N284 WeakPolarHBondContact O-CB 3.42Å; L280-N284 PolarHBondContact O-N 2.58Å
281T96.9Very high95.9Very high107 Ų10736.8 Ų36.866%0.65621%0.21SC*.Hα-helixtrans-61.2-36.6173.7-61.10000111.7R277 V279 G285R277-T281 PolarHBondContact O-N 2.96Å; R277-T281 PolarHBondContact O-OG1 2.92Å; V279-T281 VanDerWaalsContact C-N 3.35Å; V279-T281 PolarHBondContact O-N 3.04Å; T281-G285 PolarHBondContact O-N 2.82Å
282Q95.9Very high96.1Very high39 Ų3942.1 Ų42.118%0.18224%0.238CC..Hα-helixtrans-78.9-39.6-179.4-69-177.620.400113.2T18 T21 Q278 V279 L280 Q286T18-Q282 PolarHBondContact OG1-NE2 2.9Å; T21-Q282 HydrophobicContact CG2-CB 3.88Å; Q278-Q282 WeakPolarHBondContact O-CG 3.18Å; Q278-Q282 PolarHBondContact O-N 2.96Å; V279-Q282 CarbonylContact O-C 3.18Å; V279-Q282 WeakPolarHBondContact O-CA 3.5Å; V279-Q282 WeakPolarHBondContact O-CB 3.46Å; V279-Q282 PolarHBondContact O-N 3.42Å; L280-Q282 VanDerWaalsContact C-N 3.25Å; L280-Q282 PolarHBondContact O-N 2.69Å; Q282-Q286 WeakPolarHBondContact O-CB 3.32Å; Q282-Q286 WeakPolarHBondContact O-CG 3.42Å; Q282-Q286 PolarHBondContact O-N 2.71Å; Q282-Q286 VanDerWaalsContact O-N 3.13Å; Q282-Q286 PolarHBondContact O-NE2 3.18Å
283T97.5Very high96.2Very high0 Ų043.8 Ų43.80%025%0.253CS..Hα-helixtrans-68.3-37.8176.556.50000111T21 M25 P234 L237 V241 V279 L280 Y287T21-T283 HydrophobicContact CG2-CG2 4.11Å; M25-T283 HydrophobicContact CG-CG2 4.36Å; M25-T283 HydrophobicContact SD-CG2 3.92Å; P234-T283 PolarHBondContact O-OG1 3.08Å; L237-T283 HydrophobicContact CB-CG2 3.93Å; V241-T283 HydrophobicContact CG2-CG2 4.35Å; V279-T283 HydrophobicContact CG1-CG2 4.03Å; V279-T283 PolarHBondContact O-N 3.07Å; V279-T283 PolarHBondContact O-OG1 3.1Å; L280-T283 WeakPolarHBondContact CA-OG1 3.36Å; L280-T283 PolarHBondContact O-OG1 2.89Å; T283-Y287 WeakPolarHBondContact O-CB 3.43Å; T283-Y287 PolarHBondContact O-N 3.04Å
284N96.9Very high96.3Very high89 Ų8943.5 Ų43.548%0.47625%0.251SS..Hα-helixtrans-58.3-56.8175.2-173.6-29.4000111.6P234 L280 Q286 Y287 A288P234-N284 HydrophobicContact CB-CB 3.92Å; P234-N284 HydrophobicContact CG-CB 4.26Å; L280-N284 WeakPolarHBondContact O-CB 3.42Å; L280-N284 PolarHBondContact O-N 2.58Å; N284-Q286 PolarHBondContact O-N 3.02Å; N284-Y287 PolarHBondContact O-N 3.33Å; N284-A288 WeakPolarHBondContact O-CB 3.31Å; N284-A288 PolarHBondContact O-N 3.5Å
285G94.9Very high96.3Very high45 Ų4545.6 Ų45.646%0.46426%0.259SS..Hα-helixtrans-62.5-37.5-179.900000114.2T281 A289T281-G285 PolarHBondContact O-N 2.82Å; G285-A289 PolarHBondContact O-N 3.41Å
286Q96.1Very high96.3Very high62 Ų6249.3 Ų49.329%0.2929%0.29SS..Hα-helixtrans-74-40.5178.3-75170.390.200112.5M25 Q282 N284 A289 L290M25-Q286 HydrophobicContact CE-CB 3.9Å; M25-Q286 HydrophobicContact CG-CB 4.35Å; Q282-Q286 WeakPolarHBondContact O-CB 3.32Å; Q282-Q286 WeakPolarHBondContact O-CG 3.42Å; Q282-Q286 PolarHBondContact O-N 2.71Å; Q282-Q286 VanDerWaalsContact O-N 3.13Å; Q282-Q286 PolarHBondContact O-NE2 3.18Å; N284-Q286 PolarHBondContact O-N 3.02Å; Q286-A289 PolarHBondContact O-N 3.1Å; Q286-L290 WeakPolarHBondContact O-CB 3.43Å; Q286-L290 PolarHBondContact O-N 3.15Å
287Y97.1Very high96.2Very high21 Ų2153.3 Ų53.38%0.08231%0.31CS..Hα-helixtrans-66.6-42.4176.9-177.2-107.1000111.8F28 Y32 F209 P233 P234 L237 T283 N284 A289 L290 V291F28-Y287 HydrophobicContact CE1-CD2 4.2Å; F28-Y287 HydrophobicContact CE1-CE2 4.26Å; Y32-Y287 HydrophobicContact CE2-CE2 4.3Å; F209-Y287 HydrophobicContact CD2-CD2 4.49Å; F209-Y287 AromaticContact CD2-CE2 3.61Å; F209-Y287 HydrophobicContact CD2-CE2 3.61Å; F209-Y287 AromaticContact CD2-CZ 3.88Å; F209-Y287 HydrophobicContact CE2-CD2 4.47Å; F209-Y287 AromaticContact CE2-CE2 3.99Å; F209-Y287 HydrophobicContact CE2-CE2 3.99Å; P233-Y287 HydrophobicContact CB-CD1 4Å; P233-Y287 HydrophobicContact CB-CE1 3.46Å; P233-Y287 VanDerWaalsContact CB-CE1 3.46Å; P233-Y287 HydrophobicContact CB-CE2 4.29Å; P233-Y287 HydrophobicContact CG-CE1 3.99Å; P234-Y287 HydrophobicContact CG-CD1 4.25Å; L237-Y287 HydrophobicContact CD1-CD2 3.65Å; L237-Y287 HydrophobicContact CD1-CE2 4.48Å; L237-Y287 HydrophobicContact CD1-CG 3.87Å; T283-Y287 WeakPolarHBondContact O-CB 3.43Å; T283-Y287 PolarHBondContact O-N 3.04Å; N284-Y287 PolarHBondContact O-N 3.33Å; Y287-A289 VanDerWaalsContact C-N 3.3Å; Y287-A289 PolarHBondContact O-N 3.14Å; Y287-L290 HydrophobicContact CD2-CD2 4.42Å; Y287-L290 WeakPolarHBondContact O-CB 3.28Å; Y287-L290 PolarHBondContact O-N 3.36Å; Y287-L290 VanDerWaalsContact O-N 3.17Å; Y287-V291 HydrophobicContact CD1-CG2 4.04Å; Y287-V291 HydrophobicContact CD2-CG2 4.22Å; Y287-V291 HydrophobicContact CE1-CG2 3.51Å; Y287-V291 HydrophobicContact CE2-CG2 3.71Å; Y287-V291 HydrophobicContact CG-CG2 4.37Å; Y287-V291 WeakPolarHBondContact O-CG2 3.31Å; Y287-V291 PolarHBondContact O-N 3.28Å
288A96.8Very high96.1Very high40 Ų4049 Ų4933%0.33130%0.295SS..Hα-helixtrans-59.6-40175.400000112.2N284 N292N284-A288 WeakPolarHBondContact O-CB 3.31Å; N284-A288 PolarHBondContact O-N 3.5Å; A288-N292 WeakPolarHBondContact O-CB 3.2Å; A288-N292 PolarHBondContact O-N 3.34Å; A288-N292 VanDerWaalsContact O-N 3.14Å; A288-N292 PolarHBondContact O-ND2 3.25Å
289A96.8Very high96.1Very high60 Ų6052 Ų5250%0.49632%0.317SS..Hα-helixtrans-65.4-41.7174.700000112.6G285 Q286 Y287 N292 A293G285-A289 PolarHBondContact O-N 3.41Å; Q286-A289 PolarHBondContact O-N 3.1Å; Y287-A289 VanDerWaalsContact C-N 3.3Å; Y287-A289 PolarHBondContact O-N 3.14Å; A289-N292 PolarHBondContact O-N 2.89Å; A289-A293 PolarHBondContact O-N 2.93Å
290L96.7Very high95.9Very high20 Ų2055.8 Ų55.811%0.10534%0.343CS..Hα-helixtrans-63.9-47.6178.1176.665.4000112.5F28 Y32 E33 Q286 Y287 N292 A293 C294F28-L290 HydrophobicContact CD1-CD2 4.04Å; F28-L290 HydrophobicContact CE1-CD2 3.9Å; Y32-L290 HydrophobicContact CD1-CD1 4.14Å; Y32-L290 HydrophobicContact CD1-CD2 3.75Å; Y32-L290 HydrophobicContact CD1-CG 3.68Å; Y32-L290 HydrophobicContact CE1-CG 4.25Å; Y32-L290 HydrophobicContact CG-CD2 4.01Å; Y32-L290 HydrophobicContact CG-CG 4.44Å; E33-L290 HydrophobicContact CG-CD1 3.93Å; Q286-L290 WeakPolarHBondContact O-CB 3.43Å; Q286-L290 PolarHBondContact O-N 3.15Å; Y287-L290 HydrophobicContact CD2-CD2 4.42Å; Y287-L290 WeakPolarHBondContact O-CB 3.28Å; Y287-L290 PolarHBondContact O-N 3.36Å; Y287-L290 VanDerWaalsContact O-N 3.17Å; L290-N292 PolarHBondContact O-N 3.12Å; L290-A293 PolarHBondContact O-N 3.46Å; L290-C294 PolarHBondContact O-N 3Å; L290-C294 PolarHBondContact O-SG 3.02Å
291V95.6Very high95.6Very high17 Ų1755 Ų5510%0.10334%0.339CS..Hα-helixtrans-61.8-44.6176.7174.50000110.9Y32 Y287 A293 C294 E295Y32-V291 HydrophobicContact CE1-CG2 4.32Å; Y287-V291 HydrophobicContact CD1-CG2 4.04Å; Y287-V291 HydrophobicContact CD2-CG2 4.22Å; Y287-V291 HydrophobicContact CE1-CG2 3.51Å; Y287-V291 HydrophobicContact CE2-CG2 3.71Å; Y287-V291 HydrophobicContact CG-CG2 4.37Å; Y287-V291 WeakPolarHBondContact O-CG2 3.31Å; Y287-V291 PolarHBondContact O-N 3.28Å; V291-A293 VanDerWaalsContact C-N 3.27Å; V291-A293 PolarHBondContact O-N 3.33Å; V291-C294 PolarHBondContact O-N 3.36Å; V291-C294 VanDerWaalsContact O-N 3.1Å; V291-E295 HydrophobicContact CG1-CG 4.21Å; V291-E295 PolarHBondContact O-N 2.89Å
292N96.4Very high95.5Very high113 Ų11351.9 Ų51.960%0.60432%0.318SS*.Hα-helixtrans-60.2-36.1176.3-74.4-30000112.4A288 A289 L290 A296A288-N292 WeakPolarHBondContact O-CB 3.2Å; A288-N292 PolarHBondContact O-N 3.34Å; A288-N292 VanDerWaalsContact O-N 3.14Å; A288-N292 PolarHBondContact O-ND2 3.25Å; A289-N292 PolarHBondContact O-N 2.89Å; L290-N292 PolarHBondContact O-N 3.12Å; N292-A296 VanDerWaalsContact O-CB 3.24Å; N292-A296 WeakPolarHBondContact O-CB 3.36Å; N292-A296 PolarHBondContact O-N 2.94Å; N292-A296 VanDerWaalsContact O-N 3.12Å
293A96.1Very high95.3Very high42 Ų4253.3 Ų53.335%0.34734%0.337SS..Hα-helixtrans-70.3-31175.500000113.2A289 L290 V291 Q297A289-A293 PolarHBondContact O-N 2.93Å; L290-A293 PolarHBondContact O-N 3.46Å; V291-A293 VanDerWaalsContact C-N 3.27Å; V291-A293 PolarHBondContact O-N 3.33Å; A293-Q297 WeakPolarHBondContact O-CG 3.35Å; A293-Q297 PolarHBondContact O-NE2 2.83Å
294C95.3Very high95Very high5 Ų557.4 Ų57.43%0.03435%0.352CS..Hα-helixtrans-76.4-49.8176.2-61.90000111.8Y32 Y36 L290 V291 A296 Q297 K298Y32-C294 HydrophobicContact CE1-CB 4.39Å; Y36-C294 HydrophobicContact CD1-CB 4.04Å; Y36-C294 HydrophobicContact CD2-CB 3.79Å; Y36-C294 HydrophobicContact CE1-CB 4.11Å; Y36-C294 HydrophobicContact CE2-CB 3.85Å; Y36-C294 HydrophobicContact CG-CB 3.9Å; L290-C294 PolarHBondContact O-N 3Å; L290-C294 PolarHBondContact O-SG 3.02Å; V291-C294 PolarHBondContact O-N 3.36Å; V291-C294 VanDerWaalsContact O-N 3.1Å; C294-A296 VanDerWaalsContact C-N 3.26Å; C294-A296 PolarHBondContact O-N 2.91Å; C294-Q297 PolarHBondContact O-N 3.44Å; C294-K298 PolarHBondContact O-N 3.08Å
295E95.1Very high94.8Very high57 Ų5753.1 Ų53.127%0.26633%0.33SS..Hα-helixtrans-61.5-32.9177.6-69.4-67.4140.500112Y36 Q205 V291 Q297 K298Y36-E295 PolarHBondContact OH-OE1 3.21Å; Q205-E295 VanDerWaalsContact NE2-CD 3.3Å; Q205-E295 PolarHBondContact NE2-OE1 2.84Å; V291-E295 HydrophobicContact CG1-CG 4.21Å; V291-E295 PolarHBondContact O-N 2.89Å; E295-Q297 PolarHBondContact O-N 3.33Å; E295-K298 WeakPolarHBondContact O-CB 3.4Å; E295-K298 PolarHBondContact O-N 3.4Å; E295-K298 IonicContact OE1-NZ 2.71Å; E295-K298 PolarHBondContact OE1-NZ 2.88Å; E295-K298 VanDerWaalsContact OE1-NZ 3.08Å; E295-K298 VanDerWaalsContact OE2-CD 3.25Å; E295-K298 WeakPolarHBondContact OE2-CD 3.44Å; E295-K298 IonicContact OE2-NZ 2.89Å; E295-K298 PolarHBondContact OE2-NZ 3.35Å
296A95.9Very high94.7Very high82 Ų8256.1 Ų56.168%0.67833%0.327SS*.THydrogen-bonded Turntrans-64.8-24.2173.100000113.9N292 C294N292-A296 VanDerWaalsContact O-CB 3.24Å; N292-A296 WeakPolarHBondContact O-CB 3.36Å; N292-A296 PolarHBondContact O-N 2.94Å; N292-A296 VanDerWaalsContact O-N 3.12Å; C294-A296 VanDerWaalsContact C-N 3.26Å; C294-A296 PolarHBondContact O-N 2.91Å
297Q93.7Very high94.5Very high101 Ų10156.1 Ų56.147%0.47234%0.343SS..THydrogen-bonded Turntrans-93.9-24.2177.8-69176.98100112.9A293 C294 E295 P299 S300 L301A293-Q297 WeakPolarHBondContact O-CG 3.35Å; A293-Q297 PolarHBondContact O-NE2 2.83Å; C294-Q297 PolarHBondContact O-N 3.44Å; E295-Q297 PolarHBondContact O-N 3.33Å; Q297-P299 VanDerWaalsContact C-CD 3.44Å; Q297-P299 VanDerWaalsContact O-N 3.17Å; Q297-S300 WeakPolarHBondContact O-CB 3.29Å; Q297-S300 PolarHBondContact O-N 3.49Å; Q297-L301 HydrophobicContact CB-CD1 4.38Å; Q297-L301 PolarHBondContact O-N 3.31Å; Q297-L301 VanDerWaalsContact O-N 3.13Å
298K94.1Very high94.3Very high60 Ų6057.5 Ų57.526%0.26135%0.352SS..Hα-helixtrans-44.5-45.3-177.2-173.1-170.5-157155.30115Y36 L40 C294 E295 S300 L301 D302Y36-K298 HydrophobicContact CE1-CB 4.33Å; Y36-K298 HydrophobicContact CE1-CG 4.49Å; Y36-K298 VanDerWaalsContact OH-CD 3.29Å; Y36-K298 WeakPolarHBondContact OH-CD 3.45Å; L40-K298 HydrophobicContact CD1-CG 4.07Å; L40-K298 HydrophobicContact CD2-CG 4.06Å; C294-K298 PolarHBondContact O-N 3.08Å; E295-K298 WeakPolarHBondContact O-CB 3.4Å; E295-K298 PolarHBondContact O-N 3.4Å; E295-K298 IonicContact OE1-NZ 2.71Å; E295-K298 PolarHBondContact OE1-NZ 2.88Å; E295-K298 VanDerWaalsContact OE1-NZ 3.08Å; E295-K298 VanDerWaalsContact OE2-CD 3.25Å; E295-K298 WeakPolarHBondContact OE2-CD 3.44Å; E295-K298 IonicContact OE2-NZ 2.89Å; E295-K298 PolarHBondContact OE2-NZ 3.35Å; K298-S300 VanDerWaalsContact C-N 3.29Å; K298-S300 PolarHBondContact O-N 3.27Å; K298-L301 PolarHBondContact O-N 2.88Å; K298-D302 WeakPolarHBondContact O-CB 3.45Å; K298-D302 PolarHBondContact O-N 3.32Å
299P94.8Very high94.2Very high92 Ų9256.4 Ų56.460%0.59734%0.34SS*.Hα-helixtrans-66.8-29.5-179.7-20.234.1000113.6Q297 A303Q297-P299 VanDerWaalsContact C-CD 3.44Å; Q297-P299 VanDerWaalsContact O-N 3.17Å; P299-A303 WeakPolarHBondContact O-CB 3.46Å; P299-A303 PolarHBondContact O-N 2.78Å
300S93.6Very high94Very high79 Ų7960 Ų6055%0.55235%0.352SS*.Hα-helixtrans-76.1-35.7176.4-170.60000111.6Q297 K298 R304Q297-S300 WeakPolarHBondContact O-CB 3.29Å; Q297-S300 PolarHBondContact O-N 3.49Å; K298-S300 VanDerWaalsContact C-N 3.29Å; K298-S300 PolarHBondContact O-N 3.27Å; S300-R304 PolarHBondContact O-N 3.28Å
301L92.3Very high93.8Very high25 Ų2563.3 Ų63.313%0.13137%0.367CS..Hα-helixtrans-70.9-47.4174.8-63.7175.9000111.2L40 Q297 K298 A303 R304 L305 F529L40-L301 HydrophobicContact CD2-CB 3.63Å; L40-L301 HydrophobicContact CD2-CD1 4.36Å; Q297-L301 HydrophobicContact CB-CD1 4.38Å; Q297-L301 PolarHBondContact O-N 3.31Å; Q297-L301 VanDerWaalsContact O-N 3.13Å; K298-L301 PolarHBondContact O-N 2.88Å; L301-A303 PolarHBondContact O-N 3.47Å; L301-R304 PolarHBondContact O-N 3.19Å; L301-R304 VanDerWaalsContact O-N 3.15Å; L301-L305 WeakPolarHBondContact O-CB 3.42Å; L301-L305 VanDerWaalsContact O-CG 3.26Å; L301-L305 WeakPolarHBondContact O-CG 3.3Å; L301-L305 PolarHBondContact O-N 3.04Å; L301-F529 HydrophobicContact CB-CE1 4.26Å; L301-F529 HydrophobicContact CD2-CE1 3.98Å; L301-F529 HydrophobicContact CD2-CZ 3.91Å
302D93.1Very high93.7Very high40 Ų4062.5 Ų62.521%0.21436%0.362CS..Hα-helixtrans-56.1-48.7176.2-177.595.6000112.1V44 K298 R304 L305 R306V44-D302 WeakPolarHBondContact CG2-OD1 3.48Å; K298-D302 WeakPolarHBondContact O-CB 3.45Å; K298-D302 PolarHBondContact O-N 3.32Å; D302-R304 VanDerWaalsContact C-N 3.25Å; D302-R304 PolarHBondContact O-N 3.04Å; D302-L305 WeakPolarHBondContact O-CB 3.29Å; D302-L305 PolarHBondContact O-N 3.25Å; D302-R306 VanDerWaalsContact CG-NE 3.31Å; D302-R306 WeakPolarHBondContact O-CG 3.39Å; D302-R306 PolarHBondContact O-N 3.34Å; D302-R306 IonicContact OD1-CZ 3.79Å; D302-R306 VanDerWaalsContact OD1-CZ 3.3Å; D302-R306 IonicContact OD1-NE 2.63Å; D302-R306 PolarHBondContact OD1-NE 3.26Å; D302-R306 VanDerWaalsContact OD1-NE 3.12Å; D302-R306 IonicContact OD1-NH2 3.88Å; D302-R306 PolarHBondContact OD1-NH2 3.06Å; D302-R306 IonicContact OD2-CZ 3.39Å; D302-R306 IonicContact OD2-NE 3.05Å; D302-R306 PolarHBondContact OD2-NE 3.33Å; D302-R306 IonicContact OD2-NH2 3.93Å
303A93.1Very high93.5Very high70 Ų7058.1 Ų58.158%0.57934%0.34SS*.Hα-helixtrans-60.9-32.7177.900000113.2P299 L301 G307P299-A303 WeakPolarHBondContact O-CB 3.46Å; P299-A303 PolarHBondContact O-N 2.78Å; L301-A303 PolarHBondContact O-N 3.47Å; A303-G307 PolarHBondContact O-N 3.32Å
304R91.4Very high93.5Very high85 Ų8560.7 Ų60.732%0.32135%0.351SS..Hα-helixtrans-74.4-47.5173.2-168.7-174.4-58.1179.65.5111.2S300 L301 D302 R306 G307 D308 D525 F529S300-R304 PolarHBondContact O-N 3.28Å; L301-R304 PolarHBondContact O-N 3.19Å; L301-R304 VanDerWaalsContact O-N 3.15Å; D302-R304 VanDerWaalsContact C-N 3.25Å; D302-R304 PolarHBondContact O-N 3.04Å; R304-R306 VanDerWaalsContact C-N 3.32Å; R304-R306 PolarHBondContact O-N 2.76Å; R304-G307 WeakPolarHBondContact O-CA 3.3Å; R304-G307 PolarHBondContact O-N 2.86Å; R304-D308 WeakPolarHBondContact CG-OD2 3.12Å; R304-D308 PolarHBondContact O-N 2.86Å; R304-D525 PolarHBondContact NH1-O 2.98Å; R304-F529 HydrophobicContact CG-CE2 4.48Å
305L92.7Very high93.5Very high0 Ų061.1 Ų61.10%035%0.354CS..Hα-helixtrans-53.7-46.4178.3-76.2170.3000112.2L40 F41 V44 L301 D302 G307 M309 L312 F529L40-L305 HydrophobicContact CB-CD1 4.17Å; L40-L305 HydrophobicContact CD2-CD1 3.85Å; L40-L305 HydrophobicContact CG-CD1 3.64Å; F41-L305 HydrophobicContact CB-CD2 3.76Å; F41-L305 HydrophobicContact CD2-CD2 3.85Å; F41-L305 HydrophobicContact CG-CD2 4.3Å; V44-L305 HydrophobicContact CB-CD1 4.47Å; V44-L305 HydrophobicContact CG1-CB 4.21Å; V44-L305 HydrophobicContact CG2-CD1 4.22Å; L301-L305 WeakPolarHBondContact O-CB 3.42Å; L301-L305 VanDerWaalsContact O-CG 3.26Å; L301-L305 WeakPolarHBondContact O-CG 3.3Å; L301-L305 PolarHBondContact O-N 3.04Å; D302-L305 WeakPolarHBondContact O-CB 3.29Å; D302-L305 PolarHBondContact O-N 3.25Å; L305-G307 VanDerWaalsContact C-N 3.28Å; L305-G307 PolarHBondContact O-N 2.77Å; L305-M309 WeakPolarHBondContact O-CA 3.4Å; L305-M309 WeakPolarHBondContact O-CB 3.37Å; L305-M309 PolarHBondContact O-N 3.16Å; L305-M309 VanDerWaalsContact O-N 3.07Å; L305-L312 HydrophobicContact CD2-CD1 3.7Å; L305-F529 HydrophobicContact CD1-CD1 4.37Å; L305-F529 HydrophobicContact CD1-CE1 3.97Å; L305-F529 HydrophobicContact CD2-CB 4.49Å; L305-F529 HydrophobicContact CD2-CD1 3.52Å; L305-F529 HydrophobicContact CD2-CD2 4.18Å; L305-F529 HydrophobicContact CD2-CE1 3.58Å; L305-F529 HydrophobicContact CD2-CE2 4.23Å; L305-F529 HydrophobicContact CD2-CG 3.81Å; L305-F529 HydrophobicContact CD2-CZ 3.94Å; L305-F529 HydrophobicContact CG-CD1 4.1Å; L305-F529 HydrophobicContact CG-CE1 3.65Å; L305-F529 HydrophobicContact CG-CZ 3.92Å
306R92.8Very high93.5Very high108 Ų10859.3 Ų59.341%0.40835%0.345SS..Hα-helixtrans-72.8-18.1178.4-60-172.2-160.9-96.1-2.8113.7V44 E47 I48 D302 R304V44-R306 HydrophobicContact CG1-CG 3.61Å; E47-R306 IonicContact OE2-CZ 2.64Å; E47-R306 IonicContact OE2-NH1 3.02Å; E47-R306 PolarHBondContact OE2-NH1 3.49Å; E47-R306 IonicContact OE2-NH2 2.75Å; E47-R306 PolarHBondContact OE2-NH2 3.17Å; I48-R306 HydrophobicContact CD1-CG 4.32Å; D302-R306 VanDerWaalsContact CG-NE 3.31Å; D302-R306 WeakPolarHBondContact O-CG 3.39Å; D302-R306 PolarHBondContact O-N 3.34Å; D302-R306 IonicContact OD1-CZ 3.79Å; D302-R306 VanDerWaalsContact OD1-CZ 3.3Å; D302-R306 IonicContact OD1-NE 2.63Å; D302-R306 PolarHBondContact OD1-NE 3.26Å; D302-R306 VanDerWaalsContact OD1-NE 3.12Å; D302-R306 IonicContact OD1-NH2 3.88Å; D302-R306 PolarHBondContact OD1-NH2 3.06Å; D302-R306 IonicContact OD2-CZ 3.39Å; D302-R306 IonicContact OD2-NE 3.05Å; D302-R306 PolarHBondContact OD2-NE 3.33Å; D302-R306 IonicContact OD2-NH2 3.93Å; R304-R306 VanDerWaalsContact C-N 3.32Å; R304-R306 PolarHBondContact O-N 2.76Å
307G91.7Very high93.4Very high61 Ų6161.1 Ų61.163%0.62934%0.339SS*.Hα-helixtrans-85-39173.100000113.5A303 R304 L305A303-G307 PolarHBondContact O-N 3.32Å; R304-G307 WeakPolarHBondContact O-CA 3.3Å; R304-G307 PolarHBondContact O-N 2.86Å; L305-G307 VanDerWaalsContact C-N 3.28Å; L305-G307 PolarHBondContact O-N 2.77Å
308D92.7Very high93.6Very high51 Ų5161.1 Ų61.127%0.27334%0.339SS..Hα-helixtrans-103.66.5-171.6-65.3-42.9000114R304 D310 M311 L312R304-D308 WeakPolarHBondContact CG-OD2 3.12Å; R304-D308 PolarHBondContact O-N 2.86Å; D308-D310 PolarHBondContact O-N 2.99Å; D308-M311 HydrophobicContact CB-CE 4.07Å; D308-M311 WeakPolarHBondContact O-CA 3.33Å; D308-M311 WeakPolarHBondContact O-CB 3.47Å; D308-M311 PolarHBondContact O-N 3.32Å; D308-M311 WeakPolarHBondContact OD1-CE 3.42Å; D308-L312 HydrophobicContact CB-CD1 4.15Å; D308-L312 HydrophobicContact CB-CG 4.36Å; D308-L312 PolarHBondContact O-N 2.99Å
309M93.6Very high93.7Very high16 Ų1658.3 Ų58.38%0.07933%0.327CS..Hα-helixtrans-51.9-50.1-168.9-171.755.772.500114.1F41 V44 R45 I48 L305 M311 L312 V313F41-M309 HydrophobicContact CD2-CE 4.29Å; F41-M309 HydrophobicContact CD2-SD 4.15Å; F41-M309 HydrophobicContact CE2-CE 4.37Å; F41-M309 HydrophobicContact CE2-SD 3.65Å; V44-M309 HydrophobicContact CB-CE 4.35Å; V44-M309 HydrophobicContact CG1-CE 3.87Å; R45-M309 HydrophobicContact CB-CE 4.12Å; R45-M309 HydrophobicContact CB-SD 4.16Å; I48-M309 HydrophobicContact CD1-CE 4.17Å; I48-M309 HydrophobicContact CD1-CG 4.46Å; L305-M309 WeakPolarHBondContact O-CA 3.4Å; L305-M309 WeakPolarHBondContact O-CB 3.37Å; L305-M309 PolarHBondContact O-N 3.16Å; L305-M309 VanDerWaalsContact O-N 3.07Å; M309-M311 VanDerWaalsContact C-N 3.26Å; M309-M311 PolarHBondContact O-N 3.35Å; M309-L312 WeakPolarHBondContact O-CB 3.34Å; M309-L312 PolarHBondContact O-N 3.18Å; M309-V313 HydrophobicContact CG-CG2 4.44Å; M309-V313 WeakPolarHBondContact O-CG2 3.49Å; M309-V313 PolarHBondContact O-N 2.88Å; M309-V313 HydrophobicContact SD-CG2 4.04Å
310D92.4Very high93.7Very high137 Ų13754.4 Ų54.473%0.73330%0.301SS*.Hα-helixtrans-59.7-38.4179.6-66.4-17.6000112.1D308 T314D308-D310 PolarHBondContact O-N 2.99Å; D310-T314 VanDerWaalsContact O-CB 3.24Å; D310-T314 WeakPolarHBondContact O-CB 3.02Å; D310-T314 PolarHBondContact O-N 3.46Å; D310-T314 PolarHBondContact O-OG1 3.32Å
311M93.2Very high93.9Very high88 Ų8852.5 Ų52.543%0.43329%0.294SS..Hα-helixtrans-73.2-37.6178.6-179.1170.259.100111.4D308 M309 T315 L526D308-M311 HydrophobicContact CB-CE 4.07Å; D308-M311 WeakPolarHBondContact O-CA 3.33Å; D308-M311 WeakPolarHBondContact O-CB 3.47Å; D308-M311 PolarHBondContact O-N 3.32Å; D308-M311 WeakPolarHBondContact OD1-CE 3.42Å; M309-M311 VanDerWaalsContact C-N 3.26Å; M309-M311 PolarHBondContact O-N 3.35Å; M311-T315 VanDerWaalsContact O-CB 3.24Å; M311-T315 WeakPolarHBondContact O-CB 3.12Å; M311-T315 PolarHBondContact O-N 2.9Å; M311-T315 PolarHBondContact O-OG1 3.4Å; M311-L526 HydrophobicContact CE-CD1 4.35Å; M311-L526 HydrophobicContact CE-CD2 4.13Å; M311-L526 HydrophobicContact CG-CD1 4.02Å; M311-L526 HydrophobicContact SD-CD1 4.48Å
312L93.4Very high94.1Very high0 Ų056.1 Ų56.10%031%0.309CS..Hα-helixtrans-62.8-50.2173.3-77.5163.9000111.4F41 L305 D308 M309 T315 K316 L526 F529 L530F41-L312 HydrophobicContact CD2-CB 4.36Å; F41-L312 HydrophobicContact CD2-CD1 4.16Å; F41-L312 HydrophobicContact CE2-CB 3.79Å; F41-L312 HydrophobicContact CE2-CD1 4.39Å; L305-L312 HydrophobicContact CD2-CD1 3.7Å; D308-L312 HydrophobicContact CB-CD1 4.15Å; D308-L312 HydrophobicContact CB-CG 4.36Å; D308-L312 PolarHBondContact O-N 2.99Å; M309-L312 WeakPolarHBondContact O-CB 3.34Å; M309-L312 PolarHBondContact O-N 3.18Å; L312-T315 PolarHBondContact O-N 2.8Å; L312-K316 WeakPolarHBondContact O-CB 3.44Å; L312-K316 PolarHBondContact O-N 3.08Å; L312-L526 HydrophobicContact CD2-CB 3.95Å; L312-L526 HydrophobicContact CD2-CD1 4.33Å; L312-L526 HydrophobicContact CD2-CD2 3.76Å; L312-L526 HydrophobicContact CD2-CG 4.21Å; L312-L526 HydrophobicContact CG-CD2 4.12Å; L312-F529 HydrophobicContact CD1-CD2 4.31Å; L312-F529 HydrophobicContact CD2-CB 3.95Å; L312-F529 HydrophobicContact CD2-CD2 3.88Å; L312-F529 HydrophobicContact CD2-CG 4.31Å; L312-L530 HydrophobicContact CD2-CD1 4.1Å; L312-L530 HydrophobicContact CD2-CD2 4.34Å; L312-L530 HydrophobicContact CD2-CG 3.96Å
313V93Very high94.3Very high22 Ų2254.2 Ų54.213%0.13330%0.299CS..Hα-helixtrans-61.7-49.3177.6174.40000110.6F41 M309 T315 K316 E317F41-V313 HydrophobicContact CE2-CG2 4.48Å; F41-V313 HydrophobicContact CZ-CG2 4.33Å; M309-V313 HydrophobicContact CG-CG2 4.44Å; M309-V313 WeakPolarHBondContact O-CG2 3.49Å; M309-V313 PolarHBondContact O-N 2.88Å; M309-V313 HydrophobicContact SD-CG2 4.04Å; V313-T315 VanDerWaalsContact C-N 3.28Å; V313-T315 PolarHBondContact O-N 3.41Å; V313-K316 PolarHBondContact O-N 3.41Å; V313-E317 HydrophobicContact CG1-CG 4.46Å; V313-E317 WeakPolarHBondContact O-CB 3.46Å; V313-E317 WeakPolarHBondContact O-CG 3.42Å; V313-E317 PolarHBondContact O-N 3.48Å
314T95.2Very high94.4Very high96 Ų9656.2 Ų56.259%0.58929%0.291SS*.Hα-helixtrans-58.1-39.6177.5-58.30000112.3D310 H318D310-T314 VanDerWaalsContact O-CB 3.24Å; D310-T314 WeakPolarHBondContact O-CB 3.02Å; D310-T314 PolarHBondContact O-N 3.46Å; D310-T314 PolarHBondContact O-OG1 3.32Å; T314-H318 WeakPolarHBondContact O-CB 3.18Å; T314-H318 PolarHBondContact O-N 3.07Å
315T95.1Very high94.7Very high13 Ų1355.9 Ų55.98%0.0831%0.306CS..Hα-helixtrans-72.4-42.5178.1-55.30000111.4M311 L312 V313 E317 H318 V319 L530M311-T315 VanDerWaalsContact O-CB 3.24Å; M311-T315 WeakPolarHBondContact O-CB 3.12Å; M311-T315 PolarHBondContact O-N 2.9Å; M311-T315 PolarHBondContact O-OG1 3.4Å; L312-T315 PolarHBondContact O-N 2.8Å; V313-T315 VanDerWaalsContact C-N 3.28Å; V313-T315 PolarHBondContact O-N 3.41Å; T315-E317 PolarHBondContact O-N 2.95Å; T315-H318 PolarHBondContact O-N 3.1Å; T315-V319 WeakPolarHBondContact O-CG2 3.5Å; T315-V319 PolarHBondContact O-N 3.38Å; T315-L530 HydrophobicContact CG2-CD1 3.66Å
316K95.1Very high94.8Very high19 Ų1957.5 Ų57.58%0.08332%0.315CS..Hα-helixtrans-56.6-50.3174.8-161.8-174.1-176.1-163.50110.1F41 L312 V313 H318 V319 I320 L530 M535 E538F41-K316 HydrophobicContact CE1-CD 3.92Å; F41-K316 HydrophobicContact CZ-CD 4.22Å; L312-K316 WeakPolarHBondContact O-CB 3.44Å; L312-K316 PolarHBondContact O-N 3.08Å; V313-K316 PolarHBondContact O-N 3.41Å; K316-H318 PolarHBondContact O-N 2.96Å; K316-V319 PolarHBondContact O-N 3.08Å; K316-I320 HydrophobicContact CD-CD1 4.29Å; K316-I320 HydrophobicContact CG-CD1 3.83Å; K316-I320 VanDerWaalsContact O-CB 3.31Å; K316-I320 WeakPolarHBondContact O-CB 3.47Å; K316-I320 VanDerWaalsContact O-CG1 3.28Å; K316-I320 WeakPolarHBondContact O-CG1 3.16Å; K316-I320 PolarHBondContact O-N 2.67Å; K316-L530 HydrophobicContact CB-CD2 3.78Å; K316-L530 HydrophobicContact CD-CD2 4.33Å; K316-L530 HydrophobicContact CG-CD2 3.93Å; K316-M535 HydrophobicContact CB-SD 4.36Å; K316-M535 HydrophobicContact CG-CG 3.99Å; K316-M535 HydrophobicContact CG-SD 3.66Å; K316-E538 WeakPolarHBondContact CE-OE2 3.27Å; K316-E538 IonicContact NZ-OE2 3.59Å; K316-E538 PolarHBondContact NZ-OE2 2.98Å
317E95.4Very high94.9Very high120 Ų12052.3 Ų52.356%0.56130%0.295SS*.Hα-helixtrans-62.6-41.1178.3-73.1-177.6-169.400113.1V313 T315 V319 G321V313-E317 HydrophobicContact CG1-CG 4.46Å; V313-E317 WeakPolarHBondContact O-CB 3.46Å; V313-E317 WeakPolarHBondContact O-CG 3.42Å; V313-E317 PolarHBondContact O-N 3.48Å; T315-E317 PolarHBondContact O-N 2.95Å; E317-V319 PolarHBondContact O-N 3.49Å; E317-G321 PolarHBondContact O-N 3.01Å
318H96.2Very high95.1Very high101 Ų10151.8 Ų51.847%0.46828%0.277SS..Hα-helixtrans-59.3-47.8176.1-171.896.5000111.5T314 T315 K316 G321 K322T314-H318 WeakPolarHBondContact O-CB 3.18Å; T314-H318 PolarHBondContact O-N 3.07Å; T315-H318 PolarHBondContact O-N 3.1Å; K316-H318 PolarHBondContact O-N 2.96Å; H318-G321 PolarHBondContact O-N 3.27Å; H318-K322 WeakPolarHBondContact NE2-CE 3.48Å; H318-K322 WeakPolarHBondContact O-CG 3.46Å; H318-K322 PolarHBondContact O-N 3.07Å
319V96.5Very high95.2Very high1 Ų153.2 Ų53.21%0.00629%0.289CS..Hα-helixtrans-71.4-42.5-177.5177.60000111.1T315 K316 E317 G321 K322 I323 F518 L521 I522 M535T315-V319 WeakPolarHBondContact O-CG2 3.5Å; T315-V319 PolarHBondContact O-N 3.38Å; K316-V319 PolarHBondContact O-N 3.08Å; E317-V319 PolarHBondContact O-N 3.49Å; V319-G321 VanDerWaalsContact C-N 3.25Å; V319-G321 PolarHBondContact O-N 2.91Å; V319-K322 PolarHBondContact O-N 3.02Å; V319-I323 HydrophobicContact CG1-CD1 3.8Å; V319-I323 HydrophobicContact CG1-CG1 4.34Å; V319-I323 WeakPolarHBondContact O-CG1 3.26Å; V319-I323 PolarHBondContact O-N 3.38Å; V319-F518 HydrophobicContact CG1-CB 4.23Å; V319-L521 HydrophobicContact CG2-CB 3.78Å; V319-L521 HydrophobicContact CG2-CD1 4.44Å; V319-I522 HydrophobicContact CG2-CG1 4.05Å; V319-M535 HydrophobicContact CB-CE 4.06Å; V319-M535 HydrophobicContact CB-SD 3.92Å; V319-M535 HydrophobicContact CG1-CE 3.63Å; V319-M535 HydrophobicContact CG1-SD 3.95Å
320I95.8Very high95.3Very high10 Ų1055.1 Ų55.15%0.05130%0.297CS..Hα-helixtrans-53.6-43.2169.5-76.7172.2000110.9K316 K322 I323 R324 M535 E538 V539K316-I320 HydrophobicContact CD-CD1 4.29Å; K316-I320 HydrophobicContact CG-CD1 3.83Å; K316-I320 VanDerWaalsContact O-CB 3.31Å; K316-I320 WeakPolarHBondContact O-CB 3.47Å; K316-I320 VanDerWaalsContact O-CG1 3.28Å; K316-I320 WeakPolarHBondContact O-CG1 3.16Å; K316-I320 PolarHBondContact O-N 2.67Å; I320-K322 VanDerWaalsContact C-N 3.29Å; I320-K322 PolarHBondContact O-N 3.13Å; I320-I323 PolarHBondContact O-N 3.07Å; I320-R324 WeakPolarHBondContact O-CB 3.5Å; I320-R324 PolarHBondContact O-N 2.95Å; I320-M535 HydrophobicContact CD1-CG 4.24Å; I320-M535 HydrophobicContact CG1-CB 3.88Å; I320-M535 HydrophobicContact CG1-CG 3.92Å; I320-M535 HydrophobicContact CG1-SD 4.09Å; I320-E538 WeakPolarHBondContact CD1-OE1 3.27Å; I320-E538 VanDerWaalsContact CD1-OE2 3.31Å; I320-E538 WeakPolarHBondContact CD1-OE2 3.39Å; I320-V539 HydrophobicContact CG2-CG2 3.86Å
321G96.8Very high95.4Very high40 Ų4048.6 Ų48.641%0.41226%0.262SS..Hα-helixtrans-58.4-37.6175.800000113.6E317 H318 V319 A325E317-G321 PolarHBondContact O-N 3.01Å; H318-G321 PolarHBondContact O-N 3.27Å; V319-G321 VanDerWaalsContact C-N 3.25Å; V319-G321 PolarHBondContact O-N 2.91Å; G321-A325 PolarHBondContact O-N 3.41Å
322K96.9Very high95.5Very high100 Ų10047.3 Ų47.344%0.43526%0.255SS..Hα-helixtrans-74.6-39.7175.6-55.7-57.1-178.5177.80112.7H318 V319 I320 F518 L521H318-K322 WeakPolarHBondContact NE2-CE 3.48Å; H318-K322 WeakPolarHBondContact O-CG 3.46Å; H318-K322 PolarHBondContact O-N 3.07Å; V319-K322 PolarHBondContact O-N 3.02Å; I320-K322 VanDerWaalsContact C-N 3.29Å; I320-K322 PolarHBondContact O-N 3.13Å; K322-F518 HydrophobicContact CB-CD1 3.92Å; K322-F518 HydrophobicContact CB-CE1 3.67Å; K322-L521 HydrophobicContact CB-CD1 4.25Å; K322-L521 HydrophobicContact CG-CD1 3.75Å
323I96.9Very high95.5Very high0 Ų053.8 Ų53.80%029%0.285CS..Hα-helixtrans-66.9-46.4177.4-64.8167.5000110.1V319 I320 A325 L326 V327 F518 V532 M535 Y536 V539V319-I323 HydrophobicContact CG1-CD1 3.8Å; V319-I323 HydrophobicContact CG1-CG1 4.34Å; V319-I323 WeakPolarHBondContact O-CG1 3.26Å; V319-I323 PolarHBondContact O-N 3.38Å; I320-I323 PolarHBondContact O-N 3.07Å; I323-A325 VanDerWaalsContact C-N 3.26Å; I323-A325 PolarHBondContact O-N 2.89Å; I323-L326 WeakPolarHBondContact O-CB 3.41Å; I323-L326 PolarHBondContact O-N 3.39Å; I323-V327 HydrophobicContact CG2-CG2 3.79Å; I323-V327 WeakPolarHBondContact O-CB 3.3Å; I323-V327 WeakPolarHBondContact O-CG2 3.19Å; I323-V327 PolarHBondContact O-N 3.08Å; I323-F518 HydrophobicContact CB-CE2 4.48Å; I323-F518 HydrophobicContact CD1-CD2 4.46Å; I323-F518 HydrophobicContact CG1-CD2 3.63Å; I323-F518 HydrophobicContact CG1-CE2 3.79Å; I323-F518 HydrophobicContact CG1-CG 4.01Å; I323-F518 HydrophobicContact CG1-CZ 4.28Å; I323-V532 HydrophobicContact CD1-CG1 4.09Å; I323-M535 HydrophobicContact CD1-CB 3.77Å; I323-Y536 HydrophobicContact CG2-CD2 4.32Å; I323-V539 HydrophobicContact CB-CG2 4.4Å; I323-V539 HydrophobicContact CG2-CB 4.26Å; I323-V539 HydrophobicContact CG2-CG1 4.36Å; I323-V539 HydrophobicContact CG2-CG2 4.11Å
324R96.4Very high95.6Very high113 Ų11353.7 Ų53.743%0.42628%0.284SS..Hα-helixtrans-55.5-39.7177.5-168.2-177.6-71.1170.1-0.8111.9I320 L326 V327 M328 V539I320-R324 WeakPolarHBondContact O-CB 3.5Å; I320-R324 PolarHBondContact O-N 2.95Å; R324-L326 VanDerWaalsContact C-N 3.29Å; R324-L326 PolarHBondContact O-N 3.09Å; R324-V327 PolarHBondContact O-N 3.31Å; R324-M328 HydrophobicContact CG-CB 3.99Å; R324-M328 HydrophobicContact CG-CG 4.47Å; R324-M328 WeakPolarHBondContact O-CB 3.29Å; R324-M328 PolarHBondContact O-N 3.07Å; R324-V539 HydrophobicContact CB-CG1 4.2Å; R324-V539 HydrophobicContact CB-CG2 4.2Å; R324-V539 HydrophobicContact CG-CG1 4.4Å
325A96.1Very high95.4Very high77 Ų7749.5 Ų49.564%0.63626%0.258SS*.Hα-helixtrans-64.2-26.9175.800000114.4G321 I323G321-A325 PolarHBondContact O-N 3.41Å; I323-A325 VanDerWaalsContact C-N 3.26Å; I323-A325 PolarHBondContact O-N 2.89Å
326L94.9Very high95.2Very high34 Ų3456.1 Ų56.118%0.17828%0.281CS..Hα-helixtrans-85.7-40.8174.2172.468.8000112.5I323 R324 E514 F518I323-L326 WeakPolarHBondContact O-CB 3.41Å; I323-L326 PolarHBondContact O-N 3.39Å; R324-L326 VanDerWaalsContact C-N 3.29Å; R324-L326 PolarHBondContact O-N 3.09Å; L326-E514 HydrophobicContact CD2-CB 3.61Å; L326-E514 HydrophobicContact CD2-CG 4.32Å; L326-F518 HydrophobicContact CB-CZ 4.32Å; L326-F518 HydrophobicContact CD2-CE2 3.92Å; L326-F518 HydrophobicContact CD2-CZ 4.06Å
327V96.1Very high95Very high0 Ų058.8 Ų58.80%030%0.303CS..Hα-helixtrans-94.3-43.2-163.7177.80000112.1I323 R324 K330 A331 L507 Y536 V539 V540I323-V327 HydrophobicContact CG2-CG2 3.79Å; I323-V327 WeakPolarHBondContact O-CB 3.3Å; I323-V327 WeakPolarHBondContact O-CG2 3.19Å; I323-V327 PolarHBondContact O-N 3.08Å; R324-V327 PolarHBondContact O-N 3.31Å; V327-K330 WeakPolarHBondContact O-CB 3.3Å; V327-K330 PolarHBondContact O-N 2.87Å; V327-A331 HydrophobicContact CG1-CB 4.42Å; V327-A331 PolarHBondContact O-N 3.4Å; V327-L507 HydrophobicContact CG1-CD1 4.36Å; V327-Y536 HydrophobicContact CG1-CD2 4.44Å; V327-Y536 HydrophobicContact CG1-CE2 4.02Å; V327-Y536 HydrophobicContact CG2-CD2 3.82Å; V327-Y536 HydrophobicContact CG2-CE2 3.8Å; V327-V539 HydrophobicContact CB-CG1 3.92Å; V327-V539 HydrophobicContact CG1-CG1 3.97Å; V327-V540 HydrophobicContact CG1-CG2 3.83Å
328M94.9Very high94.6Very high50 Ų5054.6 Ų54.625%0.24629%0.286CS..Hα-helixtrans-56-44.5-171.3-166.468.6-178.500113.5R324 K330 A331 E332 S543R324-M328 HydrophobicContact CG-CB 3.99Å; R324-M328 HydrophobicContact CG-CG 4.47Å; R324-M328 WeakPolarHBondContact O-CB 3.29Å; R324-M328 PolarHBondContact O-N 3.07Å; M328-K330 PolarHBondContact O-N 2.73Å; M328-A331 PolarHBondContact O-N 2.84Å; M328-E332 HydrophobicContact CE-CG 3.75Å; M328-E332 HydrophobicContact CG-CG 4.15Å; M328-E332 WeakPolarHBondContact O-CB 3.21Å; M328-E332 WeakPolarHBondContact O-CG 3.32Å; M328-E332 PolarHBondContact O-N 3.01Å; M328-E332 HydrophobicContact SD-CG 4.34Å; M328-S543 WeakPolarHBondContact SD-CB 3.26Å
329P95.6Very high94.3Very high80 Ų8049.8 Ų49.852%0.51926%0.264SS..Hα-helixtrans-60.5-31.5179.2-23.735.2000113.6Q333P329-Q333 WeakPolarHBondContact O-CB 3.45Å; P329-Q333 PolarHBondContact O-N 2.9Å
330K95.6Very high93.9Very high57 Ų5754.5 Ų54.525%0.24829%0.286CS..Hα-helixtrans-80.4-42.5177.6-54.8172.9-179.4178.10111.4V327 M328 Q333 L334 L507 S510 C511V327-K330 WeakPolarHBondContact O-CB 3.3Å; V327-K330 PolarHBondContact O-N 2.87Å; M328-K330 PolarHBondContact O-N 2.73Å; K330-Q333 PolarHBondContact O-N 3.46Å; K330-L334 PolarHBondContact O-N 2.93Å; K330-L507 HydrophobicContact CB-CD2 3.58Å; K330-L507 HydrophobicContact CD-CD2 4.49Å; K330-S510 WeakPolarHBondContact CD-OG 3.48Å; K330-S510 PolarHBondContact NZ-O 2.87Å; K330-S510 PolarHBondContact NZ-OG 3.33Å; K330-C511 PolarHBondContact NZ-SG 3.39Å
331A95.3Very high93.5Very high0 Ų058 Ų580%031%0.311CS..Hα-helixtrans-63.1-45.2178.900000111.1V327 M328 Q333 L334 L335 M503 L507V327-A331 HydrophobicContact CG1-CB 4.42Å; V327-A331 PolarHBondContact O-N 3.4Å; M328-A331 PolarHBondContact O-N 2.84Å; A331-Q333 VanDerWaalsContact C-N 3.34Å; A331-Q333 PolarHBondContact O-N 3.1Å; A331-L334 PolarHBondContact O-N 3.16Å; A331-L335 WeakPolarHBondContact O-CB 3.42Å; A331-L335 PolarHBondContact O-N 3.1Å; A331-M503 HydrophobicContact CB-CE 3.92Å; A331-L507 HydrophobicContact CB-CD1 4.02Å
332E94.3Very high93.1Very high60 Ų6059.2 Ų59.228%0.2830%0.304SS..Hα-helixtrans-62.9-37.4173.6-69.2-178.8-162.600113M328 R336M328-E332 HydrophobicContact CE-CG 3.75Å; M328-E332 HydrophobicContact CG-CG 4.15Å; M328-E332 WeakPolarHBondContact O-CB 3.21Å; M328-E332 WeakPolarHBondContact O-CG 3.32Å; M328-E332 PolarHBondContact O-N 3.01Å; M328-E332 HydrophobicContact SD-CG 4.34Å; E332-R336 WeakPolarHBondContact O-CB 3.44Å; E332-R336 VanDerWaalsContact O-CG 3.27Å; E332-R336 WeakPolarHBondContact O-CG 3.39Å; E332-R336 PolarHBondContact O-N 3.48Å; E332-R336 IonicContact OE2-CZ 3.7Å; E332-R336 IonicContact OE2-NH1 3.25Å; E332-R336 PolarHBondContact OE2-NH1 3.28Å; E332-R336 IonicContact OE2-NH2 2.82Å; E332-R336 PolarHBondContact OE2-NH2 3.02Å
333Q94.4Very high92.8Very high137 Ų13755 Ų5564%0.6429%0.286SS*.Hα-helixtrans-63.1-47.7176.2-178.5179.5-900110.5P329 K330 A331 R336 S337P329-Q333 WeakPolarHBondContact O-CB 3.45Å; P329-Q333 PolarHBondContact O-N 2.9Å; K330-Q333 PolarHBondContact O-N 3.46Å; A331-Q333 VanDerWaalsContact C-N 3.34Å; A331-Q333 PolarHBondContact O-N 3.1Å; Q333-R336 PolarHBondContact O-N 2.81Å; Q333-S337 WeakPolarHBondContact O-CB 3.46Å; Q333-S337 PolarHBondContact O-N 3.41Å; Q333-S337 PolarHBondContact O-OG 3.37Å; Q333-S337 VanDerWaalsContact O-OG 3.13Å
334L93.7Very high92.4Very high20 Ų2056.8 Ų56.811%0.10531%0.305CS..Hα-helixtrans-62.7-41.3177.4-179.364.9000112.1K330 A331 S337 S338 I339 Y502 M503 Q506 L507K330-L334 PolarHBondContact O-N 2.93Å; A331-L334 PolarHBondContact O-N 3.16Å; L334-S337 PolarHBondContact O-N 3.07Å; L334-S337 PolarHBondContact O-OG 2.66Å; L334-S338 WeakPolarHBondContact O-CB 3.35Å; L334-S338 PolarHBondContact O-N 3.03Å; L334-I339 HydrophobicContact CG-CD1 4.22Å; L334-Y502 HydrophobicContact CD1-CE1 4.11Å; L334-Y502 HydrophobicContact CG-CE1 4.44Å; L334-M503 HydrophobicContact CD2-CB 4.25Å; L334-M503 HydrophobicContact CD2-CG 4.04Å; L334-Q506 HydrophobicContact CD1-CB 4.25Å; L334-Q506 HydrophobicContact CD1-CG 4.34Å; L334-Q506 HydrophobicContact CD2-CB 3.7Å; L334-Q506 HydrophobicContact CD2-CG 4.31Å; L334-L507 HydrophobicContact CD2-CG 4.29Å
335L92Very high92.1Very high8 Ų854.9 Ų54.94%0.04231%0.309CS..Iπ-helixtrans-57.3-53.5175.8176.152.9000111.1A331 S337 I339 Q340 S543 V544A331-L335 WeakPolarHBondContact O-CB 3.42Å; A331-L335 PolarHBondContact O-N 3.1Å; L335-S337 PolarHBondContact O-N 3.18Å; L335-I339 HydrophobicContact CD1-CB 3.91Å; L335-I339 HydrophobicContact CD1-CG2 3.78Å; L335-I339 PolarHBondContact O-N 2.96Å; L335-Q340 WeakPolarHBondContact O-CB 3.41Å; L335-Q340 PolarHBondContact O-N 3.48Å; L335-S543 WeakPolarHBondContact CD2-O 3.41Å; L335-V544 HydrophobicContact CD1-CB 4.45Å; L335-V544 HydrophobicContact CD1-CG2 3.63Å; L335-V544 HydrophobicContact CD2-CB 4.34Å; L335-V544 HydrophobicContact CD2-CG2 4.24Å
336R91.3Very high91.9Very high151 Ų15151.2 Ų51.257%0.5728%0.279SS*.Iπ-helixtrans-64.8-37178.9-68170.1-172.21267.7113.2E332 Q333E332-R336 WeakPolarHBondContact O-CB 3.44Å; E332-R336 VanDerWaalsContact O-CG 3.27Å; E332-R336 WeakPolarHBondContact O-CG 3.39Å; E332-R336 PolarHBondContact O-N 3.48Å; E332-R336 IonicContact OE2-CZ 3.7Å; E332-R336 IonicContact OE2-NH1 3.25Å; E332-R336 PolarHBondContact OE2-NH1 3.28Å; E332-R336 IonicContact OE2-NH2 2.82Å; E332-R336 PolarHBondContact OE2-NH2 3.02Å; Q333-R336 PolarHBondContact O-N 2.81Å
337S90.3Very high91.8Very high76 Ų7649.8 Ų49.853%0.53127%0.271SS..Iπ-helixtrans-82.5-34.1-175.367.30000114.3Q333 L334 L335Q333-S337 WeakPolarHBondContact O-CB 3.46Å; Q333-S337 PolarHBondContact O-N 3.41Å; Q333-S337 PolarHBondContact O-OG 3.37Å; Q333-S337 VanDerWaalsContact O-OG 3.13Å; L334-S337 PolarHBondContact O-N 3.07Å; L334-S337 PolarHBondContact O-OG 2.66Å; L335-S337 PolarHBondContact O-N 3.18Å
338S87.1Confident91.6Very high31 Ų3152.3 Ų52.322%0.21728%0.283CS..Iπ-helixtrans-130.6-13.7-159.4-52.40000115L334 Y342L334-S338 WeakPolarHBondContact O-CB 3.35Å; L334-S338 PolarHBondContact O-N 3.03Å; S338-Y342 WeakPolarHBondContact O-CD2 3.32Å
339I89.6Confident91.4Very high0 Ų051.3 Ų51.30%028%0.282CS..Iπ-helixtrans-122.4-46.4-170.8-62.9160.4000111.5L334 L335 S341 Y342 L343 F421 I499 Y502 M503L334-I339 HydrophobicContact CG-CD1 4.22Å; L335-I339 HydrophobicContact CD1-CB 3.91Å; L335-I339 HydrophobicContact CD1-CG2 3.78Å; L335-I339 PolarHBondContact O-N 2.96Å; I339-S341 PolarHBondContact O-N 3.37Å; I339-S341 VanDerWaalsContact O-N 3.15Å; I339-Y342 PolarHBondContact O-N 2.95Å; I339-L343 PolarHBondContact O-N 3.09Å; I339-F421 HydrophobicContact CG1-CE1 4.17Å; I339-I499 HydrophobicContact CD1-CG2 3.9Å; I339-I499 HydrophobicContact CG1-CG2 4.36Å; I339-I499 HydrophobicContact CG2-CD1 3.87Å; I339-I499 HydrophobicContact CG2-CG1 4.14Å; I339-I499 HydrophobicContact CG2-CG2 3.79Å; I339-Y502 HydrophobicContact CD1-CD1 4.17Å; I339-Y502 HydrophobicContact CD1-CE1 4.2Å; I339-Y502 HydrophobicContact CG1-CD1 4.23Å; I339-Y502 HydrophobicContact CG1-CE1 4.05Å; I339-M503 HydrophobicContact CD1-CE 4.36Å; I339-M503 HydrophobicContact CD1-CG 3.42Å; I339-M503 VanDerWaalsContact CD1-CG 3.42Å; I339-M503 HydrophobicContact CD1-SD 3.71Å
340Q88.2Confident91.3Very high101 Ų10147.5 Ų47.547%0.47226%0.257SS..Hα-helixtrans-58.2-33.4-171.7-169.5175.215.200113.5L335 Y342L335-Q340 WeakPolarHBondContact O-CB 3.41Å; L335-Q340 PolarHBondContact O-N 3.48Å; Q340-Y342 VanDerWaalsContact C-N 3.33Å
341S88.1Confident91.2Very high82 Ų8244.8 Ų44.857%0.57325%0.246SC*.Hα-helixtrans-74.8-17176.349.80000114.6I339I339-S341 PolarHBondContact O-N 3.37Å; I339-S341 VanDerWaalsContact O-N 3.15Å
342Y88.3Confident91.2Very high67 Ų6748.7 Ų48.726%0.26326%0.264SS..Hα-helixtrans-104.7-21.8179-61.5-69.3000113S338 I339 Q340 G344 S345 I346 L417 R420 F421S338-Y342 WeakPolarHBondContact O-CD2 3.32Å; I339-Y342 PolarHBondContact O-N 2.95Å; Q340-Y342 VanDerWaalsContact C-N 3.33Å; Y342-G344 VanDerWaalsContact C-N 3.31Å; Y342-G344 PolarHBondContact O-N 2.94Å; Y342-S345 WeakPolarHBondContact O-CA 3.38Å; Y342-S345 WeakPolarHBondContact O-CB 3.17Å; Y342-S345 PolarHBondContact O-N 3.17Å; Y342-I346 WeakPolarHBondContact O-CG1 3.23Å; Y342-I346 PolarHBondContact O-N 3.38Å; Y342-L417 HydrophobicContact CD1-CD2 4.34Å; Y342-L417 HydrophobicContact CG-CD2 4.48Å; Y342-R420 VanDerWaalsContact CZ-NH1 3.27Å; Y342-R420 PolarHBondContact OH-NH1 2.7Å; Y342-F421 HydrophobicContact CG-CE2 4.45Å
343L89.3Confident91.2Very high10 Ų1046 Ų465%0.05225%0.252CS..Hα-helixtrans-46.7-49.3-178.1178.756.5000113.3I339 L347 L495 I499 D547 I548 A551I339-L343 PolarHBondContact O-N 3.09Å; L343-L347 WeakPolarHBondContact O-CB 3.48Å; L343-L347 PolarHBondContact O-N 2.95Å; L343-L495 HydrophobicContact CD1-CD1 3.86Å; L343-L495 HydrophobicContact CD1-CD2 3.91Å; L343-L495 HydrophobicContact CD1-CG 4.42Å; L343-I499 HydrophobicContact CD1-CD1 4.03Å; L343-D547 HydrophobicContact CD2-CB 4.27Å; L343-I548 HydrophobicContact CD1-CG1 3.91Å; L343-A551 HydrophobicContact CD1-CB 4.42Å; L343-A551 HydrophobicContact CD2-CB 3.83Å; L343-A551 HydrophobicContact CG-CB 3.9Å
344G90.1Very high91.3Very high39 Ų3939.5 Ų39.540%0.40222%0.222SC..Hα-helixtrans-63.4-44.2175.700000113.1Y342 I346 L347 E348Y342-G344 VanDerWaalsContact C-N 3.31Å; Y342-G344 PolarHBondContact O-N 2.94Å; G344-I346 PolarHBondContact O-N 3.43Å; G344-L347 PolarHBondContact O-N 3.47Å; G344-E348 WeakPolarHBondContact O-CG 3.44Å; G344-E348 PolarHBondContact O-N 3.07Å
345S90.2Very high91.4Very high73 Ų7339.2 Ų39.251%0.5122%0.221SC..Hα-helixtrans-66.9-33.2179.7-174.90000113.4Y342 A349Y342-S345 WeakPolarHBondContact O-CA 3.38Å; Y342-S345 WeakPolarHBondContact O-CB 3.17Å; Y342-S345 PolarHBondContact O-N 3.17Å; S345-A349 WeakPolarHBondContact O-CB 3.42Å; S345-A349 PolarHBondContact O-N 3.2Å
346I90.4Very high91.6Very high0 Ų043.3 Ų43.30%024%0.236CC..Hα-helixtrans-69.6-42.8173.3-55.3155.7000109.3Y342 G344 L350 L417 F421 L495 I498 I499Y342-I346 WeakPolarHBondContact O-CG1 3.23Å; Y342-I346 PolarHBondContact O-N 3.38Å; G344-I346 PolarHBondContact O-N 3.43Å; I346-L350 HydrophobicContact CG2-CD1 4.03Å; I346-L350 WeakPolarHBondContact O-CG 3.32Å; I346-L350 PolarHBondContact O-N 3.37Å; I346-L350 VanDerWaalsContact O-N 3.15Å; I346-L417 HydrophobicContact CB-CD1 4.25Å; I346-L417 HydrophobicContact CD1-CD2 4.25Å; I346-L417 HydrophobicContact CG1-CD1 3.63Å; I346-L417 HydrophobicContact CG1-CD2 3.61Å; I346-L417 HydrophobicContact CG1-CG 4.21Å; I346-L417 HydrophobicContact CG2-CD1 4.48Å; I346-F421 HydrophobicContact CD1-CE2 4.2Å; I346-F421 HydrophobicContact CD1-CZ 4.19Å; I346-L495 HydrophobicContact CB-CD2 3.76Å; I346-L495 HydrophobicContact CG2-CD2 3.53Å; I346-I498 HydrophobicContact CG2-CD1 3.66Å; I346-I499 HydrophobicContact CD1-CD1 4.5Å
347L92.8Very high91.9Very high4 Ų436.1 Ų36.12%0.02121%0.209CC..Hα-helixtrans-63.2-50.5-179.8-179.757.2000111.9L343 G344 A349 L350 M351 F491 L495 A551 V552 A555L343-L347 WeakPolarHBondContact O-CB 3.48Å; L343-L347 PolarHBondContact O-N 2.95Å; G344-L347 PolarHBondContact O-N 3.47Å; L347-A349 PolarHBondContact O-N 2.96Å; L347-L350 PolarHBondContact O-N 3.5Å; L347-L350 VanDerWaalsContact O-N 3.15Å; L347-M351 HydrophobicContact CD1-CG 3.72Å; L347-M351 HydrophobicContact CD1-SD 4.02Å; L347-M351 HydrophobicContact CG-CE 4.01Å; L347-M351 HydrophobicContact CG-CG 4.06Å; L347-M351 HydrophobicContact CG-SD 3.99Å; L347-M351 WeakPolarHBondContact O-CB 3.46Å; L347-M351 VanDerWaalsContact O-CG 3.27Å; L347-M351 WeakPolarHBondContact O-CG 3.34Å; L347-M351 PolarHBondContact O-N 3.19Å; L347-F491 HydrophobicContact CD1-CB 3.75Å; L347-F491 HydrophobicContact CD1-CD2 4.34Å; L347-F491 HydrophobicContact CD1-CG 4.04Å; L347-L495 HydrophobicContact CB-CD1 4.32Å; L347-L495 HydrophobicContact CD1-CD1 4.08Å; L347-A551 HydrophobicContact CD2-CB 4.13Å; L347-V552 HydrophobicContact CD1-CG2 4.02Å; L347-V552 HydrophobicContact CD2-CG2 4.22Å; L347-A555 HydrophobicContact CD2-CB 4.25Å
348E91.9Very high92.2Very high53 Ų5332.6 Ų32.625%0.24818%0.184CC..Hα-helixtrans-58.1-45.8177.7-62.1-58.4144.300111.9G344 L350 M351 E352 R560 H561G344-E348 WeakPolarHBondContact O-CG 3.44Å; G344-E348 PolarHBondContact O-N 3.07Å; E348-L350 PolarHBondContact O-N 3.2Å; E348-M351 HydrophobicContact CG-CE 4.38Å; E348-M351 PolarHBondContact O-N 3.49Å; E348-M351 VanDerWaalsContact O-N 3.09Å; E348-M351 WeakPolarHBondContact OE1-CE 3.49Å; E348-M351 VanDerWaalsContact OE2-CE 3.3Å; E348-M351 WeakPolarHBondContact OE2-CE 3.12Å; E348-E352 PolarHBondContact O-N 3.37Å; E348-R560 VanDerWaalsContact OE1-CD 3.29Å; E348-R560 WeakPolarHBondContact OE1-CD 3.27Å; E348-R560 IonicContact OE1-CZ 3.21Å; E348-R560 IonicContact OE1-NE 3.73Å; E348-R560 IonicContact OE1-NH1 2.7Å; E348-R560 PolarHBondContact OE1-NH1 3.48Å; E348-R560 IonicContact OE2-NH1 2.72Å; E348-R560 PolarHBondContact OE2-NH1 3.45Å; E348-H561 IonicContact OE2-NE2 3.14Å
349A91.9Very high92.7Very high28 Ų2833.1 Ų33.123%0.23119%0.19CC..Hα-helixtrans-60.9-28.8178.700000113.3S345 L347 P353 L412 L414S345-A349 WeakPolarHBondContact O-CB 3.42Å; S345-A349 PolarHBondContact O-N 3.2Å; L347-A349 PolarHBondContact O-N 2.96Å; A349-P353 WeakPolarHBondContact O-CD 3.36Å; A349-P353 WeakPolarHBondContact O-CG 3.44Å; A349-L412 WeakPolarHBondContact O-CD1 3.25Å; A349-L414 HydrophobicContact CB-CD2 4.2Å
350L93.2Very high93.1Very high0 Ų035.6 Ų35.60%020%0.202CC..Hα-helixtrans-81.7-42.3171.2-70.7165000112.2I346 L347 E348 T354 L412 F429 F491 A494 L495 I498I346-L350 HydrophobicContact CG2-CD1 4.03Å; I346-L350 WeakPolarHBondContact O-CG 3.32Å; I346-L350 PolarHBondContact O-N 3.37Å; I346-L350 VanDerWaalsContact O-N 3.15Å; L347-L350 PolarHBondContact O-N 3.5Å; L347-L350 VanDerWaalsContact O-N 3.15Å; E348-L350 PolarHBondContact O-N 3.2Å; L350-T354 VanDerWaalsContact O-CB 3.23Å; L350-T354 WeakPolarHBondContact O-CB 3.38Å; L350-T354 PolarHBondContact O-N 3.32Å; L350-T354 PolarHBondContact O-OG1 3.23Å; L350-L412 HydrophobicContact CD2-CD1 4.03Å; L350-L412 HydrophobicContact CD2-CD2 4.11Å; L350-F429 HydrophobicContact CD2-CB 4.45Å; L350-F491 HydrophobicContact CB-CD1 4.11Å; L350-F491 HydrophobicContact CB-CE1 4.39Å; L350-A494 HydrophobicContact CD1-CB 3.74Å; L350-A494 HydrophobicContact CD2-CB 4.18Å; L350-L495 HydrophobicContact CD1-CD2 4.47Å; L350-L495 HydrophobicContact CD1-CG 4.48Å; L350-I498 HydrophobicContact CD1-CD1 4.44Å
351M94Very high93.5Very high0 Ų031 Ų310%018%0.18CC..Hα-helixtrans-64.3-42.2-174.8-75-163.5-56.700113L347 E348 S355 F491 A555 R560 L563L347-M351 HydrophobicContact CD1-CG 3.72Å; L347-M351 HydrophobicContact CD1-SD 4.02Å; L347-M351 HydrophobicContact CG-CE 4.01Å; L347-M351 HydrophobicContact CG-CG 4.06Å; L347-M351 HydrophobicContact CG-SD 3.99Å; L347-M351 WeakPolarHBondContact O-CB 3.46Å; L347-M351 VanDerWaalsContact O-CG 3.27Å; L347-M351 WeakPolarHBondContact O-CG 3.34Å; L347-M351 PolarHBondContact O-N 3.19Å; E348-M351 HydrophobicContact CG-CE 4.38Å; E348-M351 PolarHBondContact O-N 3.49Å; E348-M351 VanDerWaalsContact O-N 3.09Å; E348-M351 WeakPolarHBondContact OE1-CE 3.49Å; E348-M351 VanDerWaalsContact OE2-CE 3.3Å; E348-M351 WeakPolarHBondContact OE2-CE 3.12Å; M351-S355 WeakPolarHBondContact O-CB 3.46Å; M351-S355 PolarHBondContact O-N 2.99Å; M351-S355 PolarHBondContact O-OG 2.7Å; M351-F491 HydrophobicContact CB-CE2 4.36Å; M351-F491 HydrophobicContact CB-CZ 4.14Å; M351-F491 HydrophobicContact CG-CD1 4.38Å; M351-F491 HydrophobicContact CG-CD2 3.84Å; M351-F491 HydrophobicContact CG-CE1 4.18Å; M351-F491 HydrophobicContact CG-CE2 3.61Å; M351-F491 HydrophobicContact CG-CG 4.26Å; M351-F491 HydrophobicContact CG-CZ 3.82Å; M351-F491 HydrophobicContact SD-CE2 4.39Å; M351-A555 HydrophobicContact CE-CB 3.96Å; M351-A555 HydrophobicContact SD-CB 3.79Å; M351-R560 HydrophobicContact CE-CB 4.19Å; M351-L563 HydrophobicContact SD-CD1 3.7Å
352E93.3Very high94Very high83 Ų8330.5 Ų30.539%0.38817%0.166SC..Hα-helixtrans-62.6-62.6-172.4-174.9-163.4156.600113.1E348 T354 S355 R356E348-E352 PolarHBondContact O-N 3.37Å; E352-T354 VanDerWaalsContact C-N 3.34Å; E352-T354 PolarHBondContact O-N 3.31Å; E352-S355 PolarHBondContact O-N 3.35Å; E352-R356 VanDerWaalsContact CG-NH1 3.31Å; E352-R356 PolarHBondContact O-N 3.04Å; E352-R356 VanDerWaalsContact O-N 3.1Å; E352-R356 IonicContact OE1-CZ 3.68Å; E352-R356 IonicContact OE1-NH1 3.48Å; E352-R356 PolarHBondContact OE1-NH1 3.16Å; E352-R356 IonicContact OE1-NH2 3.79Å; E352-R356 PolarHBondContact OE1-NH2 3.49Å
353P95.8Very high94.4Very high4 Ų430 Ų303%0.02617%0.168CC..Hα-helixtrans-65.9-35.9-179.526.6-35.2000112.4A349 R356 G357 Q408 M409 Q411 L412A349-P353 WeakPolarHBondContact O-CD 3.36Å; A349-P353 WeakPolarHBondContact O-CG 3.44Å; P353-R356 PolarHBondContact O-N 3.17Å; P353-G357 PolarHBondContact O-N 2.99Å; P353-Q408 VanDerWaalsContact CB-O 3.25Å; P353-Q408 WeakPolarHBondContact CB-O 3.49Å; P353-Q408 WeakPolarHBondContact O-CB 3.41Å; P353-M409 HydrophobicContact CB-SD 4.39Å; P353-Q411 HydrophobicContact CB-CB 4.49Å; P353-L412 HydrophobicContact CG-CB 4.18Å; P353-L412 HydrophobicContact CG-CD1 4.2Å
354T96.9Very high94.8Very high0 Ų030.1 Ų30.10%017%0.169CC..Hα-helixtrans-62.4-48.3178.1-52.80000110.7L350 E352 R356 G357 F358 M409 A433 R487 F490 F491L350-T354 VanDerWaalsContact O-CB 3.23Å; L350-T354 WeakPolarHBondContact O-CB 3.38Å; L350-T354 PolarHBondContact O-N 3.32Å; L350-T354 PolarHBondContact O-OG1 3.23Å; E352-T354 VanDerWaalsContact C-N 3.34Å; E352-T354 PolarHBondContact O-N 3.31Å; T354-R356 PolarHBondContact O-N 2.91Å; T354-G357 PolarHBondContact O-N 2.97Å; T354-G357 VanDerWaalsContact O-N 3.16Å; T354-F358 HydrophobicContact CG2-CD2 3.95Å; T354-F358 HydrophobicContact CG2-CE2 3.76Å; T354-F358 VanDerWaalsContact O-CD2 3.29Å; T354-F358 WeakPolarHBondContact O-CD2 3.34Å; T354-F358 PolarHBondContact O-N 2.88Å; T354-M409 WeakPolarHBondContact CA-SD 3.34Å; T354-M409 HydrophobicContact CG2-SD 4.49Å; T354-A433 HydrophobicContact CG2-CB 4.46Å; T354-R487 HydrophobicContact CG2-CG 4.06Å; T354-F490 HydrophobicContact CG2-CD1 3.99Å; T354-F490 HydrophobicContact CG2-CE1 3.98Å; T354-F490 WeakPolarHBondContact OG1-CE1 3.47Å; T354-F491 HydrophobicContact CG2-CE1 3.93Å; T354-F491 HydrophobicContact CG2-CZ 4.1Å
355S95.4Very high95.1Very high13 Ų1328.3 Ų28.39%0.09115%0.15CC..Hα-helixtrans-72.5-30.2-176.7-540000112.4M351 E352 A359 R487 H561M351-S355 WeakPolarHBondContact O-CB 3.46Å; M351-S355 PolarHBondContact O-N 2.99Å; M351-S355 PolarHBondContact O-OG 2.7Å; E352-S355 PolarHBondContact O-N 3.35Å; S355-A359 WeakPolarHBondContact O-CB 3.44Å; S355-A359 PolarHBondContact O-N 3.25Å; S355-R487 PolarHBondContact OG-NH1 3.05Å; S355-H561 WeakPolarHBondContact OG-CB 3.48Å
356R96Very high95.4Very high94 Ų9429 Ų2936%0.35514%0.144SC..Hα-helixtrans-59.3-47.1166-82-159.3-76.8-87.70.4111.7E352 P353 T354 A359 E360 Q408 Q411E352-R356 VanDerWaalsContact CG-NH1 3.31Å; E352-R356 PolarHBondContact O-N 3.04Å; E352-R356 VanDerWaalsContact O-N 3.1Å; E352-R356 IonicContact OE1-CZ 3.68Å; E352-R356 IonicContact OE1-NH1 3.48Å; E352-R356 PolarHBondContact OE1-NH1 3.16Å; E352-R356 IonicContact OE1-NH2 3.79Å; E352-R356 PolarHBondContact OE1-NH2 3.49Å; P353-R356 PolarHBondContact O-N 3.17Å; T354-R356 PolarHBondContact O-N 2.91Å; R356-A359 PolarHBondContact O-N 3.25Å; R356-E360 PolarHBondContact O-N 2.98Å; R356-Q408 HydrophobicContact CB-CB 3.98Å; R356-Q408 HydrophobicContact CB-CG 3.91Å; R356-Q411 VanDerWaalsContact CZ-OE1 3.32Å; R356-Q411 VanDerWaalsContact NE-OE1 3.12Å
357G97.1Very high95.7Very high0 Ų033.9 Ų33.90%017%0.165CC..Hα-helixtrans-64.4-40.5-179.400000113.6P353 T354 E360 V361P353-G357 PolarHBondContact O-N 2.99Å; T354-G357 PolarHBondContact O-N 2.97Å; T354-G357 VanDerWaalsContact O-N 3.16Å; G357-E360 PolarHBondContact O-N 3.36Å; G357-V361 WeakPolarHBondContact O-CG2 3.35Å; G357-V361 PolarHBondContact O-N 2.9Å
358F97.7Very high95.8Very high3 Ų335.2 Ų35.21%0.01317%0.171CC..Hα-helixtrans-67.5-34.9173.6-81.5-114.2000112.3T354 V361 R362 L436 M437 Q440 Y479 S483 V486 R487T354-F358 HydrophobicContact CG2-CD2 3.95Å; T354-F358 HydrophobicContact CG2-CE2 3.76Å; T354-F358 VanDerWaalsContact O-CD2 3.29Å; T354-F358 WeakPolarHBondContact O-CD2 3.34Å; T354-F358 PolarHBondContact O-N 2.88Å; F358-V361 PolarHBondContact O-N 3.44Å; F358-R362 WeakPolarHBondContact O-CB 3.3Å; F358-R362 PolarHBondContact O-N 3.14Å; F358-L436 HydrophobicContact CZ-CB 4.01Å; F358-M437 HydrophobicContact CD2-CE 3.68Å; F358-M437 HydrophobicContact CD2-CG 3.65Å; F358-M437 HydrophobicContact CE2-CE 3.94Å; F358-M437 HydrophobicContact CE2-CG 3.63Å; F358-M437 HydrophobicContact CG-CG 4.35Å; F358-M437 HydrophobicContact CZ-CG 4.33Å; F358-Q440 HydrophobicContact CE1-CG 4.02Å; F358-Y479 PolarHBondContact O-OH 3.38Å; F358-S483 WeakPolarHBondContact CD1-OG 3.4Å; F358-V486 HydrophobicContact CE1-CB 4.47Å; F358-V486 HydrophobicContact CE1-CG1 4.08Å; F358-V486 HydrophobicContact CZ-CG1 3.96Å; F358-R487 HydrophobicContact CD1-CG 4.06Å; F358-R487 HydrophobicContact CD2-CG 3.97Å; F358-R487 HydrophobicContact CE1-CG 3.93Å; F358-R487 HydrophobicContact CE2-CG 3.88Å; F358-R487 HydrophobicContact CG-CG 4.06Å; F358-R487 HydrophobicContact CZ-CG 3.86Å
359A96.7Very high95.9Very high42 Ų4232.7 Ų32.735%0.34716%0.159SC..Hα-helixtrans-65.5-42.9173.500000112S355 R356 V361 R362 D363S355-A359 WeakPolarHBondContact O-CB 3.44Å; S355-A359 PolarHBondContact O-N 3.25Å; R356-A359 PolarHBondContact O-N 3.25Å; A359-V361 PolarHBondContact O-N 3.28Å; A359-R362 WeakPolarHBondContact O-CB 3.24Å; A359-R362 PolarHBondContact O-N 2.69Å; A359-D363 WeakPolarHBondContact O-CB 3.44Å; A359-D363 PolarHBondContact O-N 3.15Å
360E97.4Very high95.9Very high52 Ų5233.2 Ų33.224%0.24316%0.159CC..Hα-helixtrans-68.7-32.1177.8-179.957.2-160.600112.5R356 G357 T364 K367 S404R356-E360 PolarHBondContact O-N 2.98Å; G357-E360 PolarHBondContact O-N 3.36Å; E360-T364 VanDerWaalsContact O-CB 3.27Å; E360-T364 WeakPolarHBondContact O-CB 3.38Å; E360-T364 PolarHBondContact O-N 3.27Å; E360-T364 PolarHBondContact O-OG1 3.48Å; E360-K367 IonicContact OE1-NZ 3.89Å; E360-K367 IonicContact OE2-NZ 2.78Å; E360-S404 WeakPolarHBondContact CG-OG 3.27Å; E360-S404 VanDerWaalsContact OE1-CB 3.26Å; E360-S404 WeakPolarHBondContact OE1-CB 3.36Å; E360-S404 PolarHBondContact OE1-OG 3.39Å
361V97.5Very high95.8Very high3 Ų337.9 Ų37.92%0.01818%0.181CC..Hα-helixtrans-62.5-50.3169.9163.50000111.5G357 F358 A359 D363 T364 F365 M402 M437 M441 Y479G357-V361 WeakPolarHBondContact O-CG2 3.35Å; G357-V361 PolarHBondContact O-N 2.9Å; F358-V361 PolarHBondContact O-N 3.44Å; A359-V361 PolarHBondContact O-N 3.28Å; V361-D363 VanDerWaalsContact C-N 3.33Å; V361-D363 PolarHBondContact O-N 3.3Å; V361-T364 WeakPolarHBondContact O-CB 3.27Å; V361-T364 PolarHBondContact O-N 3.45Å; V361-F365 PolarHBondContact O-N 2.78Å; V361-M402 HydrophobicContact CG2-CE 3.98Å; V361-M437 HydrophobicContact CG2-CB 4.01Å; V361-M437 HydrophobicContact CG2-CG 4.26Å; V361-M441 HydrophobicContact CG1-CB 4.05Å; V361-M441 HydrophobicContact CG1-CE 4.07Å; V361-M441 HydrophobicContact CG1-SD 4.43Å; V361-M441 WeakPolarHBondContact O-CE 3.33Å; V361-Y479 HydrophobicContact CG1-CE2 4.01Å; V361-Y479 WeakPolarHBondContact CG1-OH 3.45Å
362R97.3Very high95.7Very high72 Ų7238.4 Ų38.427%0.27218%0.184SC..Hα-helixtrans-55.4-47.5176179.2-165.3-178.2-85.32.4112F358 A359 T364 F365 F366 I476 Y479 D480F358-R362 WeakPolarHBondContact O-CB 3.3Å; F358-R362 PolarHBondContact O-N 3.14Å; A359-R362 WeakPolarHBondContact O-CB 3.24Å; A359-R362 PolarHBondContact O-N 2.69Å; R362-T364 VanDerWaalsContact C-N 3.34Å; R362-F365 PolarHBondContact O-N 2.87Å; R362-F366 WeakPolarHBondContact O-CB 3.48Å; R362-F366 PolarHBondContact O-N 3.41Å; R362-I476 HydrophobicContact CG-CD1 4.01Å; R362-I476 VanDerWaalsContact NH2-CG2 3.3Å; R362-Y479 HydrophobicContact CB-CD1 3.95Å; R362-Y479 HydrophobicContact CB-CE1 3.56Å; R362-Y479 HydrophobicContact CG-CD1 3.92Å; R362-Y479 HydrophobicContact CG-CE1 4.04Å; R362-D480 VanDerWaalsContact CD-OD1 3.27Å; R362-D480 WeakPolarHBondContact CD-OD1 3.48Å; R362-D480 IonicContact CZ-OD1 3.54Å; R362-D480 IonicContact CZ-OD2 2.69Å; R362-D480 IonicContact NE-OD1 2.61Å; R362-D480 PolarHBondContact NE-OD1 3.23Å; R362-D480 IonicContact NE-OD2 3.17Å; R362-D480 PolarHBondContact NE-OD2 3.28Å; R362-D480 IonicContact NH2-OD1 3.8Å; R362-D480 IonicContact NH2-OD2 2.76Å; R362-D480 PolarHBondContact NH2-OD2 3.49Å
363D97.2Very high95.4Very high58 Ų5835.1 Ų35.131%0.3117%0.17SC..Hα-helixtrans-75.7-27-176.3-69-2.3000111.3A359 V361 F366 K367A359-D363 WeakPolarHBondContact O-CB 3.44Å; A359-D363 PolarHBondContact O-N 3.15Å; V361-D363 VanDerWaalsContact C-N 3.33Å; V361-D363 PolarHBondContact O-N 3.3Å; D363-F366 PolarHBondContact O-N 2.71Å; D363-K367 WeakPolarHBondContact O-CB 3.48Å; D363-K367 WeakPolarHBondContact O-CD 3.22Å; D363-K367 WeakPolarHBondContact O-CE 3.23Å; D363-K367 WeakPolarHBondContact O-CG 3.21Å; D363-K367 PolarHBondContact O-N 3.01Å
364T97.3Very high94.9Very high11 Ų1141 Ų417%0.06720%0.195CC..Hα-helixtrans-62.6-52.4167.1-61.70000110.9E360 V361 R362 F366 K367 E368 L395 K401 M441E360-T364 VanDerWaalsContact O-CB 3.27Å; E360-T364 WeakPolarHBondContact O-CB 3.38Å; E360-T364 PolarHBondContact O-N 3.27Å; E360-T364 PolarHBondContact O-OG1 3.48Å; V361-T364 WeakPolarHBondContact O-CB 3.27Å; V361-T364 PolarHBondContact O-N 3.45Å; R362-T364 VanDerWaalsContact C-N 3.34Å; T364-F366 PolarHBondContact O-N 3.12Å; T364-K367 PolarHBondContact O-N 2.71Å; T364-E368 VanDerWaalsContact O-CG 3.25Å; T364-E368 WeakPolarHBondContact O-CG 3.28Å; T364-E368 PolarHBondContact O-N 3.22Å; T364-E368 VanDerWaalsContact O-N 3.08Å; T364-L395 HydrophobicContact CG2-CD1 4.31Å; T364-K401 HydrophobicContact CG2-CB 4.41Å; T364-M441 HydrophobicContact CG2-CE 3.86Å
365F97.6Very high94.3Very high2 Ų243.2 Ų43.21%0.00921%0.207CC..Hα-helixtrans-55.1-41.7173.9169.9-99.4000112V361 R362 V369 M441 A444 V445 F448 Q472 V475 I476V361-F365 PolarHBondContact O-N 2.78Å; R362-F365 PolarHBondContact O-N 2.87Å; F365-V369 HydrophobicContact CD2-CG2 4.19Å; F365-V369 HydrophobicContact CE2-CG2 3.74Å; F365-V369 HydrophobicContact CZ-CG2 3.92Å; F365-V369 PolarHBondContact O-N 3.5Å; F365-V369 VanDerWaalsContact O-N 3.12Å; F365-M441 HydrophobicContact CB-CE 4.16Å; F365-M441 HydrophobicContact CB-SD 3.77Å; F365-M441 HydrophobicContact CD2-SD 4.44Å; F365-A444 HydrophobicContact CD2-CB 4.31Å; F365-A444 HydrophobicContact CE2-CB 4.39Å; F365-V445 HydrophobicContact CD2-CG2 4.15Å; F365-V445 HydrophobicContact CE2-CG2 4.4Å; F365-F448 HydrophobicContact CE2-CB 4.06Å; F365-F448 HydrophobicContact CE2-CG 4.41Å; F365-F448 HydrophobicContact CZ-CB 3.95Å; F365-F448 HydrophobicContact CZ-CD2 4.27Å; F365-F448 HydrophobicContact CZ-CG 4.22Å; F365-Q472 HydrophobicContact CE1-CG 4.39Å; F365-V475 HydrophobicContact CE1-CB 4.18Å; F365-V475 HydrophobicContact CE1-CG1 3.67Å; F365-V475 HydrophobicContact CE2-CG1 4.44Å; F365-V475 HydrophobicContact CZ-CB 4.11Å; F365-V475 HydrophobicContact CZ-CG1 3.58Å; F365-I476 HydrophobicContact CD1-CD1 3.83Å; F365-I476 HydrophobicContact CE1-CD1 4.1Å; F365-I476 HydrophobicContact CE1-CG1 4.39Å
366F96.5Very high93.4Very high87 Ų8743.9 Ų43.938%0.38221%0.212SC..Hα-helixtrans-63.5-48178.1-174.8-94.9000112.7R362 D363 T364 E368 V370 Q472 I476R362-F366 WeakPolarHBondContact O-CB 3.48Å; R362-F366 PolarHBondContact O-N 3.41Å; D363-F366 PolarHBondContact O-N 2.71Å; T364-F366 PolarHBondContact O-N 3.12Å; F366-E368 PolarHBondContact O-N 3.44Å; F366-V370 HydrophobicContact CD1-CG2 4.16Å; F366-V370 HydrophobicContact CE1-CG2 3.73Å; F366-V370 HydrophobicContact CE2-CG2 4.27Å; F366-V370 HydrophobicContact CZ-CG2 3.79Å; F366-V370 WeakPolarHBondContact O-CB 3.46Å; F366-V370 WeakPolarHBondContact O-CG2 3.26Å; F366-V370 PolarHBondContact O-N 3.19Å; F366-Q472 HydrophobicContact CD2-CG 4.19Å; F366-Q472 VanDerWaalsContact CD2-NE2 3.31Å; F366-Q472 HydrophobicContact CE2-CG 4.46Å; F366-Q472 PolarHBondContact O-NE2 3.18Å; F366-I476 HydrophobicContact CB-CD1 4.4Å; F366-I476 HydrophobicContact CD2-CD1 4.37Å; F366-I476 HydrophobicContact CD2-CG1 4.43Å
367K95.7Very high92.4Very high103 Ų10344.9 Ų44.945%0.44822%0.224SC..Hα-helixtrans-57.1-49.7178.2-69.8154.6-161.4162.30110.9E360 D363 T364 V370 E371E360-K367 IonicContact OE1-NZ 3.89Å; E360-K367 IonicContact OE2-NZ 2.78Å; D363-K367 WeakPolarHBondContact O-CB 3.48Å; D363-K367 WeakPolarHBondContact O-CD 3.22Å; D363-K367 WeakPolarHBondContact O-CE 3.23Å; D363-K367 WeakPolarHBondContact O-CG 3.21Å; D363-K367 PolarHBondContact O-N 3.01Å; T364-K367 PolarHBondContact O-N 2.71Å; K367-V370 PolarHBondContact O-N 2.68Å; K367-E371 PolarHBondContact O-N 3.35Å
368E95.2Very high91.4Very high32 Ų3251.1 Ų51.115%0.1526%0.257CS..Hα-helixtrans-61.4-49.1-178.5-62.9-77.1126.900112.1T364 F366 V370 E371 I372 L392 L395 K401T364-E368 VanDerWaalsContact O-CG 3.25Å; T364-E368 WeakPolarHBondContact O-CG 3.28Å; T364-E368 PolarHBondContact O-N 3.22Å; T364-E368 VanDerWaalsContact O-N 3.08Å; F366-E368 PolarHBondContact O-N 3.44Å; E368-V370 VanDerWaalsContact C-N 3.34Å; E368-V370 PolarHBondContact O-N 2.83Å; E368-E371 WeakPolarHBondContact O-CB 3.48Å; E368-E371 PolarHBondContact O-N 2.95Å; E368-E371 VanDerWaalsContact O-N 3.09Å; E368-I372 WeakPolarHBondContact O-CG1 3.23Å; E368-I372 PolarHBondContact O-N 2.79Å; E368-L392 HydrophobicContact CB-CD1 3.98Å; E368-L395 HydrophobicContact CB-CD2 4.18Å; E368-L395 HydrophobicContact CG-CD1 3.92Å; E368-L395 HydrophobicContact CG-CD2 3.83Å; E368-K401 WeakPolarHBondContact OE1-CD 3.35Å; E368-K401 WeakPolarHBondContact OE1-CE 3.41Å; E368-K401 IonicContact OE1-NZ 3.87Å; E368-K401 PolarHBondContact OE1-NZ 3.19Å; E368-K401 IonicContact OE2-NZ 2.64Å; E368-K401 PolarHBondContact OE2-NZ 2.91Å
369V94.6Very high89.6Confident0 Ų054.3 Ų54.30%029%0.291CS..Hα-helixtrans-68.9-31.4-179.7172.40000112.1F365 S373 L392 F448 I468 Q472F365-V369 HydrophobicContact CD2-CG2 4.19Å; F365-V369 HydrophobicContact CE2-CG2 3.74Å; F365-V369 HydrophobicContact CZ-CG2 3.92Å; F365-V369 PolarHBondContact O-N 3.5Å; F365-V369 VanDerWaalsContact O-N 3.12Å; V369-S373 WeakPolarHBondContact O-CB 3.14Å; V369-S373 PolarHBondContact O-N 3.24Å; V369-L392 HydrophobicContact CG2-CD1 4.04Å; V369-L392 HydrophobicContact CG2-CD2 3.91Å; V369-F448 HydrophobicContact CG1-CD2 4.3Å; V369-F448 HydrophobicContact CG1-CE1 4.42Å; V369-F448 HydrophobicContact CG1-CE2 3.55Å; V369-F448 HydrophobicContact CG1-CZ 3.63Å; V369-F448 HydrophobicContact CG2-CD1 4.44Å; V369-F448 HydrophobicContact CG2-CE1 4.28Å; V369-F448 HydrophobicContact CG2-CE2 4.4Å; V369-F448 HydrophobicContact CG2-CZ 4.26Å; V369-I468 HydrophobicContact CG1-CG2 3.76Å; V369-Q472 HydrophobicContact CB-CG 4.42Å; V369-Q472 HydrophobicContact CG1-CB 3.95Å; V369-Q472 HydrophobicContact CG1-CG 3.93Å
370V92.6Very high87.9Confident38 Ų3853.7 Ų53.723%0.2329%0.289CS..Hα-helixtrans-65-39.3168.9165.50000111.4F366 K367 E368 S373 K374F366-V370 HydrophobicContact CD1-CG2 4.16Å; F366-V370 HydrophobicContact CE1-CG2 3.73Å; F366-V370 HydrophobicContact CE2-CG2 4.27Å; F366-V370 HydrophobicContact CZ-CG2 3.79Å; F366-V370 WeakPolarHBondContact O-CB 3.46Å; F366-V370 WeakPolarHBondContact O-CG2 3.26Å; F366-V370 PolarHBondContact O-N 3.19Å; K367-V370 PolarHBondContact O-N 2.68Å; E368-V370 VanDerWaalsContact C-N 3.34Å; E368-V370 PolarHBondContact O-N 2.83Å; V370-S373 WeakPolarHBondContact O-CB 3.19Å; V370-S373 PolarHBondContact O-N 2.94Å; V370-K374 HydrophobicContact CG1-CD 4.2Å; V370-K374 HydrophobicContact CG1-CG 4.48Å; V370-K374 WeakPolarHBondContact O-CG 3.44Å; V370-K374 PolarHBondContact O-N 2.99Å
371E91.1Very high86.5Confident99 Ų9953.1 Ų53.146%0.46330%0.297SS..Hα-helixtrans-64.3-46.4178.2-160-169.1129.100111.6K367 E368 S373 K374 N375K367-E371 PolarHBondContact O-N 3.35Å; E368-E371 WeakPolarHBondContact O-CB 3.48Å; E368-E371 PolarHBondContact O-N 2.95Å; E368-E371 VanDerWaalsContact O-N 3.09Å; E371-S373 VanDerWaalsContact C-N 3.28Å; E371-S373 PolarHBondContact O-N 3.26Å; E371-K374 PolarHBondContact O-N 3.01Å; E371-K374 VanDerWaalsContact O-N 3.14Å; E371-N375 WeakPolarHBondContact O-CB 3.4Å; E371-N375 VanDerWaalsContact O-CG 3.28Å; E371-N375 PolarHBondContact O-N 3.39Å; E371-N375 PolarHBondContact O-ND2 2.77Å
372I90Very high85.3Confident10 Ų1058 Ų585%0.05132%0.318CS..Hα-helixtrans-58.2-42.5173.4-60.9174000110.4E368 K374 N375 S376 L385 Q388 L389 L392E368-I372 WeakPolarHBondContact O-CG1 3.23Å; E368-I372 PolarHBondContact O-N 2.79Å; I372-K374 PolarHBondContact O-N 2.92Å; I372-N375 PolarHBondContact O-N 2.95Å; I372-S376 WeakPolarHBondContact O-CB 3.36Å; I372-S376 PolarHBondContact O-N 2.92Å; I372-L385 HydrophobicContact CG2-CD1 3.81Å; I372-Q388 HydrophobicContact CD1-CB 4.44Å; I372-Q388 HydrophobicContact CG1-CB 4.14Å; I372-Q388 HydrophobicContact CG2-CB 4.39Å; I372-L389 HydrophobicContact CD1-CD2 4.5Å; I372-L389 HydrophobicContact CG2-CD2 4.44Å; I372-L392 HydrophobicContact CD1-CB 3.92Å; I372-L392 HydrophobicContact CD1-CD1 4.11Å; I372-L392 HydrophobicContact CD1-CD2 3.97Å; I372-L392 HydrophobicContact CD1-CG 4.22Å
373S87.1Confident84.2Confident15 Ų1557.9 Ų57.911%0.10532%0.323CS..Hα-helixtrans-61-43.7175.8-159.60000112.3V369 V370 E371 S376 L377 C465V369-S373 WeakPolarHBondContact O-CB 3.14Å; V369-S373 PolarHBondContact O-N 3.24Å; V370-S373 WeakPolarHBondContact O-CB 3.19Å; V370-S373 PolarHBondContact O-N 2.94Å; E371-S373 VanDerWaalsContact C-N 3.28Å; E371-S373 PolarHBondContact O-N 3.26Å; S373-S376 PolarHBondContact O-N 2.92Å; S373-S376 PolarHBondContact O-OG 3.34Å; S373-L377 PolarHBondContact O-N 3.08Å; S373-C465 PolarHBondContact OG-SG 3.18Å
374K86.5Confident83.5Confident127 Ų12761.3 Ų61.355%0.55234%0.335SS*.Hα-helixtrans-64.5-45.4175.9-72.4172.3178.5178.60112V370 E371 I372 S376 L377 N378V370-K374 HydrophobicContact CG1-CD 4.2Å; V370-K374 HydrophobicContact CG1-CG 4.48Å; V370-K374 WeakPolarHBondContact O-CG 3.44Å; V370-K374 PolarHBondContact O-N 2.99Å; E371-K374 PolarHBondContact O-N 3.01Å; E371-K374 VanDerWaalsContact O-N 3.14Å; I372-K374 PolarHBondContact O-N 2.92Å; K374-S376 VanDerWaalsContact C-N 3.26Å; K374-S376 PolarHBondContact O-N 3.38Å; K374-L377 WeakPolarHBondContact O-CB 3.12Å; K374-L377 PolarHBondContact O-N 3.13Å; K374-N378 PolarHBondContact O-N 2.93Å; K374-N378 VanDerWaalsContact O-N 3.12Å
375N83.7Confident82.8Confident46 Ų4661.4 Ų61.425%0.24634%0.335CS..Hα-helixtrans-64.6-31.3-179.9-70.5-26.7000112.2E371 I372 L377 N378 G380 Q388E371-N375 WeakPolarHBondContact O-CB 3.4Å; E371-N375 VanDerWaalsContact O-CG 3.28Å; E371-N375 PolarHBondContact O-N 3.39Å; E371-N375 PolarHBondContact O-ND2 2.77Å; I372-N375 PolarHBondContact O-N 2.95Å; N375-L377 VanDerWaalsContact C-N 3.33Å; N375-L377 PolarHBondContact O-N 3.39Å; N375-N378 PolarHBondContact O-N 3.34Å; N375-G380 PolarHBondContact O-N 3.4Å; N375-Q388 PolarHBondContact ND2-NE2 2.9Å
376S77Confident82.2Confident27 Ų2761.5 Ų61.519%0.18934%0.336CS..Hα-helixtrans-67.1-29171.681.40000114I372 S373 K374I372-S376 WeakPolarHBondContact O-CB 3.36Å; I372-S376 PolarHBondContact O-N 2.92Å; S373-S376 PolarHBondContact O-N 2.92Å; S373-S376 PolarHBondContact O-OG 3.34Å; K374-S376 VanDerWaalsContact C-N 3.26Å; K374-S376 PolarHBondContact O-N 3.38Å
377L74Confident81.7Confident115 Ų11561.5 Ų61.560%0.60234%0.337SS*.Hα-helixtrans-78.2-33.9175.3-66.7169.5000112S373 K374 N375 G379 C465S373-L377 PolarHBondContact O-N 3.08Å; K374-L377 WeakPolarHBondContact O-CB 3.12Å; K374-L377 PolarHBondContact O-N 3.13Å; N375-L377 VanDerWaalsContact C-N 3.33Å; N375-L377 PolarHBondContact O-N 3.39Å; L377-G379 PolarHBondContact O-N 3.16Å; L377-C465 HydrophobicContact CD2-CB 3.89Å; L377-C465 HydrophobicContact CG-CB 4.29Å
378N76.6Confident81.3Confident131 Ų13158.6 Ų58.670%0.70133%0.325SS*.THydrogen-bonded Turntrans-76.924.2-175.4-67.6-14.2000114.3K374 N375 G380K374-N378 PolarHBondContact O-N 2.93Å; K374-N378 VanDerWaalsContact O-N 3.12Å; N375-N378 PolarHBondContact O-N 3.34Å; N378-G380 VanDerWaalsContact C-N 3.33Å; N378-G380 PolarHBondContact O-N 2.63Å
379G60.7Low81Confident70 Ų7057.1 Ų57.172%0.72232%0.318SS*.THydrogen-bonded Turntrans72.919.6177.100000115L377 G381L377-G379 PolarHBondContact O-N 3.16Å; G379-G381 PolarHBondContact O-N 3.18Å
380G60.8Low80.6Confident30 Ų3060.2 Ų60.231%0.30933%0.333SS..  trans-60.8115.516900000111N375 N378N375-G380 PolarHBondContact O-N 3.4Å; N378-G380 VanDerWaalsContact C-N 3.33Å; N378-G380 PolarHBondContact O-N 2.63Å
381G67.6Low80.4Confident40 Ų4064 Ų6441%0.41234%0.343SS..  trans-60.5160.2175.300000112.6G379 D383 K384 L385G379-G381 PolarHBondContact O-N 3.18Å; G381-D383 VanDerWaalsContact C-N 3.26Å; G381-D383 PolarHBondContact O-N 3.13Å; G381-D383 VanDerWaalsContact O-N 3.13Å; G381-K384 WeakPolarHBondContact O-CB 3.25Å; G381-K384 PolarHBondContact O-N 3.13Å; G381-L385 PolarHBondContact O-N 3.08Å
382K72.1Confident80.5Confident105 Ų10559.4 Ų59.446%0.45732%0.322SS..Hα-helixtrans-50-43.3-172.3-68.1-168.5176.4-157.80113.7K384 L385 G386 E461 F592K382-K384 VanDerWaalsContact C-N 3.25Å; K382-K384 PolarHBondContact O-N 3.24Å; K382-L385 WeakPolarHBondContact O-CB 3.46Å; K382-L385 PolarHBondContact O-N 3.34Å; K382-G386 PolarHBondContact O-N 3.1Å; K382-E461 WeakPolarHBondContact CE-OE1 3.5Å; K382-E461 VanDerWaalsContact CE-OE2 3.3Å; K382-E461 WeakPolarHBondContact CE-OE2 3.47Å; K382-E461 IonicContact NZ-OE1 3.81Å; K382-E461 PolarHBondContact NZ-OE1 2.67Å; K382-E461 IonicContact NZ-OE2 3.19Å; K382-E461 PolarHBondContact NZ-OE2 2.98Å; K382-F592 HydrophobicContact CB-CB 4.28Å; K382-F592 HydrophobicContact CB-CD1 4.05Å; K382-F592 HydrophobicContact CD-CD1 4.21Å; K382-F592 HydrophobicContact CG-CD1 4.39Å; K382-F592 WeakPolarHBondContact O-CB 3.44Å
383D75.3Confident80.5Confident70 Ų7059.3 Ų59.337%0.37432%0.322SS..Hα-helixtrans-54.4-41.7178.9-46.4-102000111.6G381 L385 G386 E387 S594G381-D383 VanDerWaalsContact C-N 3.26Å; G381-D383 PolarHBondContact O-N 3.13Å; G381-D383 VanDerWaalsContact O-N 3.13Å; D383-L385 PolarHBondContact O-N 2.71Å; D383-G386 WeakPolarHBondContact O-CA 3.34Å; D383-G386 PolarHBondContact O-N 3.45Å; D383-E387 PolarHBondContact O-N 2.82Å; D383-S594 VanDerWaalsContact OD1-CB 3.3Å; D383-S594 WeakPolarHBondContact OD1-CB 3.43Å; D383-S594 PolarHBondContact OD1-N 2.96Å
384K81.4Confident80.7Confident129 Ų12960 Ų6056%0.56132%0.324SS*.Hα-helixtrans-67.5-33.1177.3-64.3-170.2174.2-170.30113.1G381 K382 Q388G381-K384 WeakPolarHBondContact O-CB 3.25Å; G381-K384 PolarHBondContact O-N 3.13Å; K382-K384 VanDerWaalsContact C-N 3.25Å; K382-K384 PolarHBondContact O-N 3.24Å; K384-Q388 WeakPolarHBondContact O-CB 3.47Å; K384-Q388 VanDerWaalsContact O-CG 3.26Å; K384-Q388 WeakPolarHBondContact O-CG 3.28Å; K384-Q388 PolarHBondContact O-N 3.38Å
385L82.6Confident81.1Confident14 Ų1454 Ų547%0.07330%0.298CS..Hα-helixtrans-68.4-39.1172.8-179.869.2000110.5I372 G381 K382 D383 Q388 L389 L464 F592I372-L385 HydrophobicContact CG2-CD1 3.81Å; G381-L385 PolarHBondContact O-N 3.08Å; K382-L385 WeakPolarHBondContact O-CB 3.46Å; K382-L385 PolarHBondContact O-N 3.34Å; D383-L385 PolarHBondContact O-N 2.71Å; L385-Q388 PolarHBondContact O-N 3.13Å; L385-L389 HydrophobicContact CD1-CD1 4.22Å; L385-L389 HydrophobicContact CD1-CG 4.41Å; L385-L389 HydrophobicContact CG-CD1 4Å; L385-L389 WeakPolarHBondContact O-CB 3.37Å; L385-L389 VanDerWaalsContact O-CG 3.32Å; L385-L389 WeakPolarHBondContact O-CG 3.34Å; L385-L389 PolarHBondContact O-N 3.33Å; L385-L464 HydrophobicContact CD2-CD1 4.08Å; L385-L464 HydrophobicContact CD2-CD2 3.6Å; L385-L464 HydrophobicContact CD2-CG 4.5Å; L385-F592 HydrophobicContact CD2-CE1 4.3Å; L385-F592 HydrophobicContact CD2-CE2 3.92Å; L385-F592 HydrophobicContact CD2-CZ 3.75Å; L385-F592 HydrophobicContact CG-CE2 4.23Å
386G84.6Confident81.6Confident3 Ų351.9 Ų51.93%0.03129%0.286CS..Hα-helixtrans-58-54.8171.500000111.8K382 D383 Q388 L389 E390K382-G386 PolarHBondContact O-N 3.1Å; D383-G386 WeakPolarHBondContact O-CA 3.34Å; D383-G386 PolarHBondContact O-N 3.45Å; G386-Q388 VanDerWaalsContact C-N 3.27Å; G386-Q388 PolarHBondContact O-N 2.7Å; G386-L389 PolarHBondContact O-N 2.98Å; G386-E390 WeakPolarHBondContact O-CB 3.48Å; G386-E390 PolarHBondContact O-N 3.48Å
387E85.9Confident82.3Confident88 Ų8851.1 Ų51.141%0.41128%0.28SS..Hα-helixtrans-54-41.2174.8-72.5179.4-14700112.9D383 E390 R391D383-E387 PolarHBondContact O-N 2.82Å; E387-E390 PolarHBondContact O-N 3.13Å; E387-R391 VanDerWaalsContact O-CG 3.26Å; E387-R391 WeakPolarHBondContact O-CG 3.13Å; E387-R391 PolarHBondContact O-N 3.44Å; E387-R391 IonicContact OE2-NH2 2.93Å
388Q87.1Confident83.2Confident41 Ų4149.1 Ų49.119%0.19227%0.267CS..Hα-helixtrans-71.4-36.7-179-80.2-178.6-4.700113.3I372 N375 K384 L385 G386 R391 L392I372-Q388 HydrophobicContact CD1-CB 4.44Å; I372-Q388 HydrophobicContact CG1-CB 4.14Å; I372-Q388 HydrophobicContact CG2-CB 4.39Å; N375-Q388 PolarHBondContact ND2-NE2 2.9Å; K384-Q388 WeakPolarHBondContact O-CB 3.47Å; K384-Q388 VanDerWaalsContact O-CG 3.26Å; K384-Q388 WeakPolarHBondContact O-CG 3.28Å; K384-Q388 PolarHBondContact O-N 3.38Å; L385-Q388 PolarHBondContact O-N 3.13Å; G386-Q388 VanDerWaalsContact C-N 3.27Å; G386-Q388 PolarHBondContact O-N 2.7Å; Q388-R391 PolarHBondContact O-N 3.06Å; Q388-L392 WeakPolarHBondContact O-CB 3.17Å; Q388-L392 PolarHBondContact O-N 3.08Å
389L88.8Confident83.7Confident1 Ų143.3 Ų43.31%0.00524%0.237CC..Hα-helixtrans-72.2-33.1173.8-67.9169000111.6I372 L385 G386 L392 S393 F448 L452 W588 F592I372-L389 HydrophobicContact CD1-CD2 4.5Å; I372-L389 HydrophobicContact CG2-CD2 4.44Å; L385-L389 HydrophobicContact CD1-CD1 4.22Å; L385-L389 HydrophobicContact CD1-CG 4.41Å; L385-L389 HydrophobicContact CG-CD1 4Å; L385-L389 WeakPolarHBondContact O-CB 3.37Å; L385-L389 VanDerWaalsContact O-CG 3.32Å; L385-L389 WeakPolarHBondContact O-CG 3.34Å; L385-L389 PolarHBondContact O-N 3.33Å; G386-L389 PolarHBondContact O-N 2.98Å; L389-L392 HydrophobicContact CD2-CD2 4.32Å; L389-L392 WeakPolarHBondContact O-CB 3.25Å; L389-L392 PolarHBondContact O-N 2.95Å; L389-S393 PolarHBondContact O-N 3.32Å; L389-F448 HydrophobicContact CD2-CE1 3.95Å; L389-L452 HydrophobicContact CD1-CD2 4.07Å; L389-L452 HydrophobicContact CD2-CD2 3.89Å; L389-W588 HydrophobicContact CB-CB 4.26Å; L389-W588 HydrophobicContact CB-CD2 3.81Å; L389-W588 HydrophobicContact CB-CG 3.65Å; L389-W588 HydrophobicContact CD1-CD2 3.71Å; L389-W588 HydrophobicContact CD1-CE3 3.59Å; L389-W588 HydrophobicContact CD1-CG 4.35Å; L389-W588 HydrophobicContact CD1-CH2 4.08Å; L389-W588 HydrophobicContact CD1-CZ2 4.2Å; L389-W588 HydrophobicContact CD1-CZ3 3.77Å; L389-W588 HydrophobicContact CG-CD2 4.37Å; L389-F592 HydrophobicContact CD1-CE2 4.04Å
390E87.5Confident85.1Confident66 Ų6643.6 Ų43.631%0.30822%0.224SC..Hα-helixtrans-68-37.8172.1-15364.5-150.200111.9H68 G386 E387 L392 S393H68-E390 IonicContact NE2-OE1 2.94Å; G386-E390 WeakPolarHBondContact O-CB 3.48Å; G386-E390 PolarHBondContact O-N 3.48Å; E387-E390 PolarHBondContact O-N 3.13Å; E390-L392 VanDerWaalsContact C-N 3.32Å; E390-S393 PolarHBondContact O-N 2.91Å; E390-S393 PolarHBondContact O-OG 3.13Å
391R88.9Confident86.6Confident118 Ų11845.5 Ų45.545%0.44522%0.224SC..Hα-helixtrans-64.7-36.5170-70.4172.5-165.6-156.39.3112.1E387 Q388 E640E387-R391 VanDerWaalsContact O-CG 3.26Å; E387-R391 WeakPolarHBondContact O-CG 3.13Å; E387-R391 PolarHBondContact O-N 3.44Å; E387-R391 IonicContact OE2-NH2 2.93Å; Q388-R391 PolarHBondContact O-N 3.06Å; R391-E640 IonicContact CZ-OE1 3.42Å; R391-E640 IonicContact NH1-OE1 3.7Å; R391-E640 PolarHBondContact NH1-OE1 3.42Å; R391-E640 IonicContact NH2-OE1 2.68Å
392L92.3Very high88Confident2 Ų243.7 Ų43.71%0.0121%0.205CC..Hα-helixtrans-66.6-38.1176.6-172.373.2000111.7E368 V369 I372 Q388 L389 E390 M394 L395 V445 F448E368-L392 HydrophobicContact CB-CD1 3.98Å; V369-L392 HydrophobicContact CG2-CD1 4.04Å; V369-L392 HydrophobicContact CG2-CD2 3.91Å; I372-L392 HydrophobicContact CD1-CB 3.92Å; I372-L392 HydrophobicContact CD1-CD1 4.11Å; I372-L392 HydrophobicContact CD1-CD2 3.97Å; I372-L392 HydrophobicContact CD1-CG 4.22Å; Q388-L392 WeakPolarHBondContact O-CB 3.17Å; Q388-L392 PolarHBondContact O-N 3.08Å; L389-L392 HydrophobicContact CD2-CD2 4.32Å; L389-L392 WeakPolarHBondContact O-CB 3.25Å; L389-L392 PolarHBondContact O-N 2.95Å; E390-L392 VanDerWaalsContact C-N 3.32Å; L392-M394 PolarHBondContact O-N 3.38Å; L392-M394 VanDerWaalsContact O-N 3.07Å; L392-L395 HydrophobicContact CD1-CD2 3.95Å; L392-L395 WeakPolarHBondContact O-CB 3.23Å; L392-L395 PolarHBondContact O-N 2.83Å; L392-V445 HydrophobicContact CG-CG1 4.42Å; L392-V445 HydrophobicContact CG-CG2 4.47Å; L392-V445 VanDerWaalsContact O-CG1 3.27Å; L392-V445 WeakPolarHBondContact O-CG1 3.4Å; L392-F448 HydrophobicContact CD2-CD1 3.57Å; L392-F448 HydrophobicContact CD2-CE1 3.67Å
393S90.4Very high89Confident8 Ų839.7 Ų39.76%0.05619%0.188CC..Hα-helixtrans-55.4-29.7-178.687.80000112.9R61 L389 E390 E449R61-S393 PolarHBondContact NH1-O 3.14Å; L389-S393 PolarHBondContact O-N 3.32Å; E390-S393 PolarHBondContact O-N 2.91Å; E390-S393 PolarHBondContact O-OG 3.13Å; S393-E449 WeakPolarHBondContact CA-OE1 3.41Å; S393-E449 WeakPolarHBondContact CB-OE1 3.45Å
394M91.4Very high89.8Confident28 Ų2838 Ų3814%0.13818%0.181CC..THydrogen-bonded Turntrans-100.15.5179.9-73.9-65.9-70.800114.7L65 H68 I70 L392 A396 F397 H398L65-M394 HydrophobicContact CD2-CE 4.03Å; L65-M394 HydrophobicContact CD2-SD 4.25Å; H68-M394 HydrophobicContact CB-CE 3.94Å; H68-M394 HydrophobicContact CB-SD 3.9Å; H68-M394 VanDerWaalsContact CD2-CG 3.44Å; H68-M394 WeakPolarHBondContact CD2-CG 3.48Å; H68-M394 PolarHBondContact CD2-SD 3.3Å; I70-M394 HydrophobicContact CD1-CE 4.3Å; L392-M394 PolarHBondContact O-N 3.38Å; L392-M394 VanDerWaalsContact O-N 3.07Å; M394-A396 VanDerWaalsContact C-N 3.28Å; M394-A396 PolarHBondContact O-N 2.78Å; M394-F397 HydrophobicContact CE-CB 3.98Å; M394-F397 HydrophobicContact CE-CD2 4.3Å; M394-F397 HydrophobicContact CE-CG 4.47Å; M394-F397 CarbonylContact O-C 3.57Å; M394-F397 WeakPolarHBondContact O-CA 3.45Å; M394-F397 PolarHBondContact O-N 2.91Å; M394-F397 HydrophobicContact SD-CD2 4.01Å; M394-H398 PolarHBondContact O-N 3.03Å; M394-H398 VanDerWaalsContact O-N 3.12Å
395L94.4Very high90.4Very high2 Ų231.9 Ų31.91%0.0116%0.155CC..G310 helixtrans-55.2-40.1-175.9176.962.9000113T364 E368 L392 F397 H398 K401 M402 M441 V445T364-L395 HydrophobicContact CG2-CD1 4.31Å; E368-L395 HydrophobicContact CB-CD2 4.18Å; E368-L395 HydrophobicContact CG-CD1 3.92Å; E368-L395 HydrophobicContact CG-CD2 3.83Å; L392-L395 HydrophobicContact CD1-CD2 3.95Å; L392-L395 WeakPolarHBondContact O-CB 3.23Å; L392-L395 PolarHBondContact O-N 2.83Å; L395-F397 PolarHBondContact O-N 3.46Å; L395-H398 WeakPolarHBondContact O-CB 3.42Å; L395-H398 PolarHBondContact O-N 3.46Å; L395-H398 VanDerWaalsContact O-N 3.13Å; L395-K401 HydrophobicContact CD1-CB 3.93Å; L395-K401 HydrophobicContact CD1-CD 3.71Å; L395-K401 HydrophobicContact CD1-CG 4.44Å; L395-M402 WeakPolarHBondContact O-CG 3.23Å; L395-M441 HydrophobicContact CD2-CE 3.74Å; L395-M441 HydrophobicContact CD2-SD 3.64Å; L395-M441 HydrophobicContact CG-CE 3.94Å; L395-M441 HydrophobicContact CG-CG 4.32Å; L395-M441 HydrophobicContact CG-SD 4.03Å; L395-V445 HydrophobicContact CB-CG2 4.22Å; L395-V445 HydrophobicContact CD2-CG2 4.32Å
396A94.1Very high91.1Very high1 Ų131.3 Ų31.31%0.00815%0.152CC..G310 helixtrans-60.3-25.6176.900000113.8M394 R438 M441 D442M394-A396 VanDerWaalsContact C-N 3.28Å; M394-A396 PolarHBondContact O-N 2.78Å; A396-R438 HydrophobicContact CB-CG 4.47Å; A396-R438 WeakPolarHBondContact O-CG 3.47Å; A396-M441 HydrophobicContact CB-CB 3.88Å; A396-M441 HydrophobicContact CB-CG 3.71Å; A396-D442 HydrophobicContact CB-CB 3.75Å
397F92.6Very high91.5Very high11 Ų1136.1 Ų36.15%0.04817%0.174CC..G310 helixtrans-105.52-178.6-50.7-70.7000112.4P64 L65 Y96 M394 L395 P399 R438 D442P64-F397 HydrophobicContact CB-CE2 3.63Å; P64-F397 HydrophobicContact CB-CZ 3.43Å; P64-F397 VanDerWaalsContact CB-CZ 3.43Å; P64-F397 HydrophobicContact CG-CZ 4.31Å; L65-F397 HydrophobicContact CD1-CE1 4.4Å; L65-F397 HydrophobicContact CD2-CB 4.35Å; L65-F397 HydrophobicContact CD2-CD1 3.9Å; L65-F397 HydrophobicContact CD2-CD2 3.63Å; L65-F397 HydrophobicContact CD2-CE1 4.13Å; L65-F397 HydrophobicContact CD2-CE2 3.88Å; L65-F397 HydrophobicContact CD2-CG 3.65Å; L65-F397 HydrophobicContact CD2-CZ 4.14Å; L65-F397 HydrophobicContact CG-CE1 4.38Å; L65-F397 HydrophobicContact CG-CE2 4.49Å; L65-F397 HydrophobicContact CG-CZ 4.37Å; Y96-F397 WeakPolarHBondContact OH-CD1 3.34Å; M394-F397 HydrophobicContact CE-CB 3.98Å; M394-F397 HydrophobicContact CE-CD2 4.3Å; M394-F397 HydrophobicContact CE-CG 4.47Å; M394-F397 CarbonylContact O-C 3.57Å; M394-F397 WeakPolarHBondContact O-CA 3.45Å; M394-F397 PolarHBondContact O-N 2.91Å; M394-F397 HydrophobicContact SD-CD2 4.01Å; L395-F397 PolarHBondContact O-N 3.46Å; F397-P399 VanDerWaalsContact O-CD 3.31Å; F397-P399 WeakPolarHBondContact O-CD 3.33Å; F397-R438 HydrophobicContact CD1-CG 4.47Å; F397-R438 HydrophobicContact CE1-CG 4.19Å; F397-D442 WeakPolarHBondContact CE2-OD1 3.44Å; F397-D442 HydrophobicContact CZ-CB 4.38Å
398H92.3Very high92Very high74 Ų7433.9 Ų33.934%0.34316%0.163SC..  trans-76.7110.4180-174-52.9000110.6M394 L395 V400 K401 M402M394-H398 PolarHBondContact O-N 3.03Å; M394-H398 VanDerWaalsContact O-N 3.12Å; L395-H398 WeakPolarHBondContact O-CB 3.42Å; L395-H398 PolarHBondContact O-N 3.46Å; L395-H398 VanDerWaalsContact O-N 3.13Å; H398-V400 VanDerWaalsContact C-N 3.34Å; H398-V400 PolarHBondContact ND1-N 2.99Å; H398-V400 PolarHBondContact O-N 2.92Å; H398-V400 VanDerWaalsContact O-N 3.15Å; H398-K401 HydrophobicContact CB-CB 4.34Å; H398-K401 PolarHBondContact ND1-N 3.49Å; H398-K401 PolarHBondContact O-N 3.2Å; H398-M402 PolarHBondContact O-N 3.46Å
399P85.9Confident92.4Very high9 Ų931.9 Ų31.96%0.05815%0.154CC..THydrogen-bonded Turntrans-66.1-30-16425.2-35.8000114.3A185 V186 D189 F397A185-P399 HydrophobicContact CB-CB 4.33Å; A185-P399 WeakPolarHBondContact CB-O 3.4Å; V186-P399 HydrophobicContact CG2-CB 3.79Å; V186-P399 HydrophobicContact CG2-CG 3.61Å; D189-P399 WeakPolarHBondContact OD2-CA 3.35Å; F397-P399 VanDerWaalsContact O-CD 3.31Å; F397-P399 WeakPolarHBondContact O-CD 3.33Å
400V90.5Very high92.4Very high75 Ų7536.8 Ų36.846%0.45518%0.177SC..THydrogen-bonded Turntrans-83.5-47.6177.9-170.50000112.6K182 H398 M402 Q403K182-V400 HydrophobicContact CG-CG2 4.04Å; H398-V400 VanDerWaalsContact C-N 3.34Å; H398-V400 PolarHBondContact ND1-N 2.99Å; H398-V400 PolarHBondContact O-N 2.92Å; H398-V400 VanDerWaalsContact O-N 3.15Å; V400-M402 PolarHBondContact O-N 2.72Å; V400-Q403 VanDerWaalsContact O-CB 3.32Å; V400-Q403 WeakPolarHBondContact O-CB 3.49Å; V400-Q403 PolarHBondContact O-N 3.48Å; V400-Q403 VanDerWaalsContact O-N 3.15Å
401K93.5Very high92.6Very high71 Ų7138.1 Ų38.131%0.30918%0.183SC..THydrogen-bonded Turntrans-63.4-36.8-175.9-65.5-173.1-178.5-150.30113T364 E368 L395 H398 Q403T364-K401 HydrophobicContact CG2-CB 4.41Å; E368-K401 WeakPolarHBondContact OE1-CD 3.35Å; E368-K401 WeakPolarHBondContact OE1-CE 3.41Å; E368-K401 IonicContact OE1-NZ 3.87Å; E368-K401 PolarHBondContact OE1-NZ 3.19Å; E368-K401 IonicContact OE2-NZ 2.64Å; E368-K401 PolarHBondContact OE2-NZ 2.91Å; L395-K401 HydrophobicContact CD1-CB 3.93Å; L395-K401 HydrophobicContact CD1-CD 3.71Å; L395-K401 HydrophobicContact CD1-CG 4.44Å; H398-K401 HydrophobicContact CB-CB 4.34Å; H398-K401 PolarHBondContact ND1-N 3.49Å; H398-K401 PolarHBondContact O-N 3.2Å; K401-Q403 VanDerWaalsContact C-N 3.32Å; K401-Q403 PolarHBondContact O-N 2.87Å
402M95.5Very high92.7Very high2 Ų233 Ų331%0.0116%0.164CC..THydrogen-bonded Turntrans-76.3-14.8176.5-69.8-64.6-67.100114.5V361 L395 H398 V400 S404 G405 Y406 M441V361-M402 HydrophobicContact CG2-CE 3.98Å; L395-M402 WeakPolarHBondContact O-CG 3.23Å; H398-M402 PolarHBondContact O-N 3.46Å; V400-M402 PolarHBondContact O-N 2.72Å; M402-S404 PolarHBondContact O-N 3.06Å; M402-G405 PolarHBondContact O-N 2.71Å; M402-Y406 HydrophobicContact CB-CD2 4.13Å; M402-Y406 HydrophobicContact CB-CE1 4.35Å; M402-Y406 HydrophobicContact CB-CE2 3.5Å; M402-Y406 HydrophobicContact CE-CE1 3.91Å; M402-Y406 PolarHBondContact O-N 2.94Å; M402-Y406 VanDerWaalsContact O-N 3.16Å; M402-M441 HydrophobicContact CE-CB 3.9Å; M402-M441 HydrophobicContact CE-CG 4.3Å; M402-M441 HydrophobicContact SD-CB 4.02Å; M402-M441 HydrophobicContact SD-CE 3.53Å; M402-M441 VanDerWaalsContact SD-CE 3.53Å; M402-M441 HydrophobicContact SD-CG 3.74Å
403Q93Very high92.3Very high21 Ų2137.2 Ų37.210%0.09819%0.187CC..Hα-helixtrans-69.6-28.4-168.7-176.267.8-34.800113.4A185 V400 K401 G405 Y406 Q407A185-Q403 HydrophobicContact CB-CG 4.42Å; V400-Q403 VanDerWaalsContact O-CB 3.32Å; V400-Q403 WeakPolarHBondContact O-CB 3.49Å; V400-Q403 PolarHBondContact O-N 3.48Å; V400-Q403 VanDerWaalsContact O-N 3.15Å; K401-Q403 VanDerWaalsContact C-N 3.32Å; K401-Q403 PolarHBondContact O-N 2.87Å; Q403-G405 VanDerWaalsContact C-N 3.34Å; Q403-G405 PolarHBondContact O-N 2.75Å; Q403-Y406 PolarHBondContact O-N 3.39Å; Q403-Q407 HydrophobicContact CG-CG 4.16Å; Q403-Q407 VanDerWaalsContact O-CB 3.32Å; Q403-Q407 WeakPolarHBondContact O-CB 3.3Å; Q403-Q407 WeakPolarHBondContact O-CG 3.48Å; Q403-Q407 PolarHBondContact O-N 3.38Å
404S93.5Very high91.9Very high34 Ų3437 Ų3724%0.23819%0.185CC..Hα-helixtrans-64-39.2176.653.30000112E360 M402 Q408E360-S404 WeakPolarHBondContact CG-OG 3.27Å; E360-S404 VanDerWaalsContact OE1-CB 3.26Å; E360-S404 WeakPolarHBondContact OE1-CB 3.36Å; E360-S404 PolarHBondContact OE1-OG 3.39Å; M402-S404 PolarHBondContact O-N 3.06Å; S404-Q408 PolarHBondContact O-NE2 2.76Å; S404-Q408 VanDerWaalsContact O-NE2 3.12Å
405G94.5Very high90.9Very high1 Ų141.3 Ų41.31%0.0121%0.205CC..Hα-helixtrans-68.2-47.2172.400000112.1M402 Q403 Q407 Q408M402-G405 PolarHBondContact O-N 2.71Å; Q403-G405 VanDerWaalsContact C-N 3.34Å; Q403-G405 PolarHBondContact O-N 2.75Å; G405-Q407 VanDerWaalsContact C-N 3.29Å; G405-Q407 PolarHBondContact O-N 2.75Å; G405-Q408 PolarHBondContact O-N 3.04Å
406Y95.6Very high89.7Confident2 Ų244.1 Ų44.11%0.00823%0.234CC..Hα-helixtrans-61.1-34.9178.3-61.7-27.2000113.3R192 M402 Q403 Q408 M409 Q434 M437R192-Y406 VanDerWaalsContact NH2-CD2 3.32Å; M402-Y406 HydrophobicContact CB-CD2 4.13Å; M402-Y406 HydrophobicContact CB-CE1 4.35Å; M402-Y406 HydrophobicContact CB-CE2 3.5Å; M402-Y406 HydrophobicContact CE-CE1 3.91Å; M402-Y406 PolarHBondContact O-N 2.94Å; M402-Y406 VanDerWaalsContact O-N 3.16Å; Q403-Y406 PolarHBondContact O-N 3.39Å; Y406-Q408 VanDerWaalsContact C-N 3.28Å; Y406-Q408 PolarHBondContact O-N 3.05Å; Y406-M409 PolarHBondContact O-N 3.31Å; Y406-Q434 HydrophobicContact CD1-CB 3.77Å; Y406-Q434 HydrophobicContact CD1-CG 3.77Å; Y406-Q434 HydrophobicContact CE1-CB 4.17Å; Y406-Q434 VanDerWaalsContact CE1-O 3.3Å; Y406-Q434 WeakPolarHBondContact CE1-O 3.37Å; Y406-Q434 HydrophobicContact CG-CB 4.43Å; Y406-Q434 HydrophobicContact CG-CG 4.12Å; Y406-Q434 PolarHBondContact O-NE2 3.31Å; Y406-M437 HydrophobicContact CD1-SD 4.48Å; Y406-M437 HydrophobicContact CE1-CB 4.33Å
407Q94.6Very high88.5Confident104 Ų10444.9 Ų44.949%0.48624%0.238SC..Hα-helixtrans-65.3-26.3178.7-81.3174.7-2.400113.6Q403 G405 M409 Q410Q403-Q407 HydrophobicContact CG-CG 4.16Å; Q403-Q407 VanDerWaalsContact O-CB 3.32Å; Q403-Q407 WeakPolarHBondContact O-CB 3.3Å; Q403-Q407 WeakPolarHBondContact O-CG 3.48Å; Q403-Q407 PolarHBondContact O-N 3.38Å; G405-Q407 VanDerWaalsContact C-N 3.29Å; G405-Q407 PolarHBondContact O-N 2.75Å; Q407-M409 PolarHBondContact O-N 3.31Å; Q407-Q410 WeakPolarHBondContact O-CB 3.49Å; Q407-Q410 PolarHBondContact O-N 2.88Å
408Q95.9Very high87.4Confident40 Ų4046.7 Ų46.719%0.18725%0.247CC..Hα-helixtrans-61.5-36.1176.7-53.8-52.8-42.300111.6P353 R356 S404 G405 Y406 Q410 Q411P353-Q408 VanDerWaalsContact CB-O 3.25Å; P353-Q408 WeakPolarHBondContact CB-O 3.49Å; P353-Q408 WeakPolarHBondContact O-CB 3.41Å; R356-Q408 HydrophobicContact CB-CB 3.98Å; R356-Q408 HydrophobicContact CB-CG 3.91Å; S404-Q408 PolarHBondContact O-NE2 2.76Å; S404-Q408 VanDerWaalsContact O-NE2 3.12Å; G405-Q408 PolarHBondContact O-N 3.04Å; Y406-Q408 VanDerWaalsContact C-N 3.28Å; Y406-Q408 PolarHBondContact O-N 3.05Å; Q408-Q410 PolarHBondContact O-N 3.45Å; Q408-Q411 WeakPolarHBondContact O-CB 3.13Å; Q408-Q411 PolarHBondContact O-N 2.69Å
409M94.7Very high86.4Confident0 Ų051.8 Ų51.80%027%0.271CS..G310 helixtrans-67.1-21.6176.6-67-53.6-52.700114P353 T354 Y406 Q407 Q411 L412 V430 A433 Q434 M437P353-M409 HydrophobicContact CB-SD 4.39Å; T354-M409 WeakPolarHBondContact CA-SD 3.34Å; T354-M409 HydrophobicContact CG2-SD 4.49Å; Y406-M409 PolarHBondContact O-N 3.31Å; Q407-M409 PolarHBondContact O-N 3.31Å; M409-Q411 PolarHBondContact O-N 3.4Å; M409-L412 HydrophobicContact CE-CB 4.42Å; M409-L412 HydrophobicContact CE-CD2 3.92Å; M409-L412 VanDerWaalsContact O-CB 3.26Å; M409-L412 WeakPolarHBondContact O-CB 3.3Å; M409-L412 PolarHBondContact O-N 3.12Å; M409-L412 VanDerWaalsContact O-N 3.12Å; M409-V430 HydrophobicContact CB-CB 4.38Å; M409-V430 HydrophobicContact CB-CG1 3.87Å; M409-V430 HydrophobicContact CB-CG2 4.44Å; M409-V430 WeakPolarHBondContact O-CG2 3.39Å; M409-A433 HydrophobicContact CE-CB 3.58Å; M409-A433 HydrophobicContact CG-CB 3.84Å; M409-A433 HydrophobicContact SD-CB 3.57Å; M409-A433 VanDerWaalsContact SD-CB 3.57Å; M409-Q434 HydrophobicContact CB-CG 4.28Å; M409-Q434 HydrophobicContact CG-CG 4.16Å; M409-M437 HydrophobicContact CG-CE 3.62Å; M409-M437 HydrophobicContact CG-SD 4.31Å; M409-M437 HydrophobicContact SD-CE 3.74Å
410Q90.1Very high85.9Confident103 Ų10357.8 Ų57.848%0.48129%0.292SS..G310 helixtrans-70.1-9.4176.8-54.1-65.3-600112.5Q407 Q408 L412Q407-Q410 WeakPolarHBondContact O-CB 3.49Å; Q407-Q410 PolarHBondContact O-N 2.88Å; Q408-Q410 PolarHBondContact O-N 3.45Å; Q410-L412 VanDerWaalsContact C-N 3.34Å
411Q90.4Very high85.4Confident94 Ų9454.5 Ų54.544%0.43927%0.272SS..G310 helixtrans-84.2-6173.8-56.9160.817.800112.7P353 R356 Q408 M409 N413P353-Q411 HydrophobicContact CB-CB 4.49Å; R356-Q411 VanDerWaalsContact CZ-OE1 3.32Å; R356-Q411 VanDerWaalsContact NE-OE1 3.12Å; Q408-Q411 WeakPolarHBondContact O-CB 3.13Å; Q408-Q411 PolarHBondContact O-N 2.69Å; M409-Q411 PolarHBondContact O-N 3.4Å; Q411-N413 PolarHBondContact O-N 3.42Å
412L90.8Very high84.3Confident10 Ų1054.9 Ų54.95%0.05228%0.277CS..  trans-67.795.6-177.6176.958.9000111.7A349 L350 P353 M409 Q410 L414 P426 F429 V430A349-L412 WeakPolarHBondContact O-CD1 3.25Å; L350-L412 HydrophobicContact CD2-CD1 4.03Å; L350-L412 HydrophobicContact CD2-CD2 4.11Å; P353-L412 HydrophobicContact CG-CB 4.18Å; P353-L412 HydrophobicContact CG-CD1 4.2Å; M409-L412 HydrophobicContact CE-CB 4.42Å; M409-L412 HydrophobicContact CE-CD2 3.92Å; M409-L412 VanDerWaalsContact O-CB 3.26Å; M409-L412 WeakPolarHBondContact O-CB 3.3Å; M409-L412 PolarHBondContact O-N 3.12Å; M409-L412 VanDerWaalsContact O-N 3.12Å; Q410-L412 VanDerWaalsContact C-N 3.34Å; L412-L414 HydrophobicContact CD1-CD2 4.16Å; L412-L414 HydrophobicContact CD1-CG 4.15Å; L412-L414 HydrophobicContact CG-CG 4.41Å; L412-P426 HydrophobicContact CD2-CB 4.21Å; L412-P426 HydrophobicContact CG-CB 4.17Å; L412-F429 HydrophobicContact CD2-CB 3.86Å; L412-V430 HydrophobicContact CB-CG2 4.26Å; L412-V430 HydrophobicContact CD2-CG2 4.08Å
413N84.6Confident83.1Confident91 Ų9155.2 Ų55.249%0.48728%0.28SS..  trans-97127.7173.4-168.1-17.7000111.3Q411 E415Q411-N413 PolarHBondContact O-N 3.42Å; N413-E415 PolarHBondContact ND2-OE2 3.02Å; N413-E415 VanDerWaalsContact OD1-CB 3.28Å; N413-E415 WeakPolarHBondContact OD1-CB 3.39Å; N413-E415 WeakPolarHBondContact OD1-CG 3.47Å; N413-E415 PolarHBondContact OD1-N 2.63Å; N413-E415 PolarHBondContact OD1-OE2 2.81Å
414L81.6Confident82Confident4 Ų458.1 Ų58.12%0.02130%0.302CS..  trans-1249.9174.5-62.7176.5000113.2A349 L412 G416 L417 Q418 P426 F429 I498A349-L414 HydrophobicContact CB-CD2 4.2Å; L412-L414 HydrophobicContact CD1-CD2 4.16Å; L412-L414 HydrophobicContact CD1-CG 4.15Å; L412-L414 HydrophobicContact CG-CG 4.41Å; L414-G416 VanDerWaalsContact C-N 3.33Å; L414-G416 PolarHBondContact O-N 3.09Å; L414-L417 HydrophobicContact CD2-CD1 3.97Å; L414-L417 CarbonylContact O-C 3.59Å; L414-L417 WeakPolarHBondContact O-CA 3.49Å; L414-L417 WeakPolarHBondContact O-CB 3.45Å; L414-L417 PolarHBondContact O-N 3.5Å; L414-Q418 HydrophobicContact CB-CG 4.3Å; L414-Q418 WeakPolarHBondContact O-CG 3.42Å; L414-Q418 PolarHBondContact O-N 3.41Å; L414-P426 HydrophobicContact CD1-CB 4.2Å; L414-F429 HydrophobicContact CD1-CD2 4.04Å; L414-F429 HydrophobicContact CD1-CE2 4.22Å; L414-I498 HydrophobicContact CD1-CD1 4.32Å
415E71.3Confident81.3Confident118 Ų11857.3 Ų57.355%0.55130%0.296SS*.Hα-helixtrans-50.7-43.7-171-73.8169.1145.900114.2N413 L417 Q418N413-E415 PolarHBondContact ND2-OE2 3.02Å; N413-E415 VanDerWaalsContact OD1-CB 3.28Å; N413-E415 WeakPolarHBondContact OD1-CB 3.39Å; N413-E415 WeakPolarHBondContact OD1-CG 3.47Å; N413-E415 PolarHBondContact OD1-N 2.63Å; N413-E415 PolarHBondContact OD1-OE2 2.81Å; E415-L417 PolarHBondContact O-N 3.15Å; E415-Q418 PolarHBondContact O-N 3.01Å
416G68.7Low80.9Confident61 Ų6158.3 Ų58.363%0.62930%0.302SS*.Hα-helixtrans-66.6-15.3177.600000114.8L414L414-G416 VanDerWaalsContact C-N 3.33Å; L414-G416 PolarHBondContact O-N 3.09Å
417L68.8Low80.5Confident17 Ų1761.1 Ų61.19%0.08932%0.318CS..Hα-helixtrans-103.7-34.2178.6-64.7157000111.6Y342 I346 L414 E415 Q419 R420 F421Y342-L417 HydrophobicContact CD1-CD2 4.34Å; Y342-L417 HydrophobicContact CG-CD2 4.48Å; I346-L417 HydrophobicContact CB-CD1 4.25Å; I346-L417 HydrophobicContact CD1-CD2 4.25Å; I346-L417 HydrophobicContact CG1-CD1 3.63Å; I346-L417 HydrophobicContact CG1-CD2 3.61Å; I346-L417 HydrophobicContact CG1-CG 4.21Å; I346-L417 HydrophobicContact CG2-CD1 4.48Å; L414-L417 HydrophobicContact CD2-CD1 3.97Å; L414-L417 CarbonylContact O-C 3.59Å; L414-L417 WeakPolarHBondContact O-CA 3.49Å; L414-L417 WeakPolarHBondContact O-CB 3.45Å; L414-L417 PolarHBondContact O-N 3.5Å; E415-L417 PolarHBondContact O-N 3.15Å; L417-Q419 VanDerWaalsContact C-N 3.29Å; L417-Q419 PolarHBondContact O-N 3.15Å; L417-R420 PolarHBondContact O-N 3.22Å; L417-F421 HydrophobicContact CB-CD2 4.25Å; L417-F421 HydrophobicContact CD2-CD2 4.12Å; L417-F421 HydrophobicContact CD2-CE2 3.86Å; L417-F421 PolarHBondContact O-N 2.96Å
418Q70.2Confident80.2Confident49 Ų4958.4 Ų58.423%0.22931%0.308CS..Hα-helixtrans-50.8-47177.5-70.1168.52.300112L414 E415 R420 D422 V423L414-Q418 HydrophobicContact CB-CG 4.3Å; L414-Q418 WeakPolarHBondContact O-CG 3.42Å; L414-Q418 PolarHBondContact O-N 3.41Å; E415-Q418 PolarHBondContact O-N 3.01Å; Q418-R420 PolarHBondContact O-N 2.74Å; Q418-R420 VanDerWaalsContact O-N 3.09Å; Q418-D422 WeakPolarHBondContact O-CA 3.27Å; Q418-D422 PolarHBondContact O-N 2.85Å; Q418-V423 HydrophobicContact CG-CB 4.16Å; Q418-V423 HydrophobicContact CG-CG1 4.46Å; Q418-V423 WeakPolarHBondContact CG-O 3.39Å
419Q70.1Confident80Confident182 Ų18256.6 Ų56.685%0.8530%0.3SS*.Hα-helixtrans-65.9-10.4179.2-60.4-174.911.900114.8L417L417-Q419 VanDerWaalsContact C-N 3.29Å; L417-Q419 PolarHBondContact O-N 3.15Å
420R76.9Confident80Confident135 Ų13557 Ų5751%0.50930%0.302SS..Hα-helixtrans-112-35.6-177.2-68.5172.9171.1-110.96.1113Y342 L417 Q418 Y502Y342-R420 VanDerWaalsContact CZ-NH1 3.27Å; Y342-R420 PolarHBondContact OH-NH1 2.7Å; L417-R420 PolarHBondContact O-N 3.22Å; Q418-R420 PolarHBondContact O-N 2.74Å; Q418-R420 VanDerWaalsContact O-N 3.09Å; R420-Y502 WeakPolarHBondContact O-CD2 3.35Å; R420-Y502 WeakPolarHBondContact O-CE2 3.38Å
421F78.5Confident80.1Confident5 Ų553.3 Ų53.32%0.02229%0.287CS..Hα-helixtrans-106.33.3-175.5-69.7-84.7000113.6I339 Y342 I346 L417 V423 I498 I499 Y502I339-F421 HydrophobicContact CG1-CE1 4.17Å; Y342-F421 HydrophobicContact CG-CE2 4.45Å; I346-F421 HydrophobicContact CD1-CE2 4.2Å; I346-F421 HydrophobicContact CD1-CZ 4.19Å; L417-F421 HydrophobicContact CB-CD2 4.25Å; L417-F421 HydrophobicContact CD2-CD2 4.12Å; L417-F421 HydrophobicContact CD2-CE2 3.86Å; L417-F421 PolarHBondContact O-N 2.96Å; F421-V423 HydrophobicContact CB-CG2 3.91Å; F421-V423 PolarHBondContact O-N 3.11Å; F421-I498 HydrophobicContact CB-CG2 3.99Å; F421-I498 HydrophobicContact CD1-CG2 4.1Å; F421-I498 HydrophobicContact CG-CG2 3.98Å; F421-I499 HydrophobicContact CE1-CG1 4.39Å; F421-Y502 AromaticContact CD1-CD1 3.95Å; F421-Y502 HydrophobicContact CD1-CD1 3.95Å; F421-Y502 HydrophobicContact CD1-CD2 4.33Å; F421-Y502 AromaticContact CD1-CG 3.78Å; F421-Y502 HydrophobicContact CD1-CG 3.78Å; F421-Y502 AromaticContact CE1-CD1 3.93Å; F421-Y502 HydrophobicContact CE1-CD1 3.93Å; F421-Y502 HydrophobicContact CE1-CE1 4.34Å; F421-Y502 HydrophobicContact CE1-CG 4.24Å
422D71Confident80.2Confident80 Ų8051 Ų5143%0.42828%0.275SS..THydrogen-bonded Turntrans60.926.4179.3-1435.2000113.5Q418 S424 Q505Q418-D422 WeakPolarHBondContact O-CA 3.27Å; Q418-D422 PolarHBondContact O-N 2.85Å; D422-S424 PolarHBondContact O-N 2.81Å; D422-Q505 PolarHBondContact OD2-NE2 3.37Å
423V71.3Confident80.4Confident9 Ų950.6 Ų50.66%0.05527%0.272CS..  trans-72.7111-179.9179.50000109Q418 F421 S425 F429 I498Q418-V423 HydrophobicContact CG-CB 4.16Å; Q418-V423 HydrophobicContact CG-CG1 4.46Å; Q418-V423 WeakPolarHBondContact CG-O 3.39Å; F421-V423 HydrophobicContact CB-CG2 3.91Å; F421-V423 PolarHBondContact O-N 3.11Å; V423-S425 PolarHBondContact O-N 3.42Å; V423-F429 HydrophobicContact CG1-CE2 4.37Å; V423-I498 HydrophobicContact CG2-CB 4.44Å; V423-I498 HydrophobicContact CG2-CG1 4.11Å; V423-I498 HydrophobicContact CG2-CG2 4.02Å
424S69.5Low81Confident82 Ų8246.8 Ų46.857%0.57325%0.252SS*.  trans-69.5-29-173-67.50000114.7D422D422-S424 PolarHBondContact O-N 2.81Å
425S78.1Confident81.6Confident16 Ų1646.6 Ų46.611%0.11225%0.251CS..  trans-169.4144.8-179.2175.50000110.7V423 N427V423-S425 PolarHBondContact O-N 3.42Å; S425-N427 PolarHBondContact O-N 2.9Å; S425-N427 VanDerWaalsContact OG-CB 3.31Å; S425-N427 WeakPolarHBondContact OG-CB 3.5Å; S425-N427 PolarHBondContact OG-N 3.07Å; S425-N427 VanDerWaalsContact OG-N 3.15Å; S425-N427 PolarHBondContact OG-ND2 3.43Å
426P86.8Confident82.7Confident22 Ų2241.9 Ų41.914%0.14323%0.229CC..THydrogen-bonded Turntrans-73.3-11.7171.833.2-35.3000112.9L412 L414 V428 F429 V430L412-P426 HydrophobicContact CD2-CB 4.21Å; L412-P426 HydrophobicContact CG-CB 4.17Å; L414-P426 HydrophobicContact CD1-CB 4.2Å; P426-V428 PolarHBondContact O-N 3.37Å; P426-V428 VanDerWaalsContact O-N 3.07Å; P426-F429 PolarHBondContact O-N 2.83Å; P426-V430 PolarHBondContact O-N 3.15Å; P426-V430 VanDerWaalsContact O-N 3.1Å
427N87.6Confident84.1Confident62 Ų6239 Ų3933%0.33220%0.199SC..Hα-helixtrans-60.5-25.3-168.2-67.7-14000114.4E227 S425 S431E227-N427 PolarHBondContact OE1-ND2 3.08Å; S425-N427 PolarHBondContact O-N 2.9Å; S425-N427 VanDerWaalsContact OG-CB 3.31Å; S425-N427 WeakPolarHBondContact OG-CB 3.5Å; S425-N427 PolarHBondContact OG-N 3.07Å; S425-N427 VanDerWaalsContact OG-N 3.15Å; S425-N427 PolarHBondContact OG-ND2 3.43Å; N427-S431 WeakPolarHBondContact O-CB 3.35Å; N427-S431 PolarHBondContact O-N 3.06Å
428V88.4Confident85.4Confident46 Ų4639.6 Ų39.628%0.27920%0.201SC..Hα-helixtrans-63.9-47.1174-1790000110.3P426 S431 R432P426-V428 PolarHBondContact O-N 3.37Å; P426-V428 VanDerWaalsContact O-N 3.07Å; V428-S431 PolarHBondContact O-N 3.18Å; V428-R432 PolarHBondContact O-N 3.22Å
429F91.8Very high86.5Confident3 Ų340 Ų401%0.01320%0.203CC..Hα-helixtrans-68.9-38.9177.3-51.6-55.9000112.1T225 L350 L412 L414 V423 P426 R432 A433 F490 A494 Q497 I498T225-F429 HydrophobicContact CG2-CE1 4.36Å; T225-F429 HydrophobicContact CG2-CZ 3.82Å; L350-F429 HydrophobicContact CD2-CB 4.45Å; L412-F429 HydrophobicContact CD2-CB 3.86Å; L414-F429 HydrophobicContact CD1-CD2 4.04Å; L414-F429 HydrophobicContact CD1-CE2 4.22Å; V423-F429 HydrophobicContact CG1-CE2 4.37Å; P426-F429 PolarHBondContact O-N 2.83Å; F429-R432 PolarHBondContact O-N 3.27Å; F429-A433 VanDerWaalsContact O-CB 3.3Å; F429-A433 WeakPolarHBondContact O-CB 3.39Å; F429-A433 PolarHBondContact O-N 2.97Å; F429-F490 HydrophobicContact CB-CE2 4.5Å; F429-F490 HydrophobicContact CB-CZ 4.14Å; F429-A494 HydrophobicContact CD1-CB 3.67Å; F429-A494 HydrophobicContact CE1-CB 3.8Å; F429-A494 HydrophobicContact CG-CB 4.41Å; F429-Q497 HydrophobicContact CE1-CB 4.02Å; F429-Q497 HydrophobicContact CZ-CB 4.23Å; F429-I498 HydrophobicContact CE2-CD1 3.95Å; F429-I498 HydrophobicContact CE2-CG1 3.86Å; F429-I498 HydrophobicContact CZ-CD1 4.06Å; F429-I498 HydrophobicContact CZ-CG1 3.65Å
430V93.9Very high87.8Confident8 Ų831.8 Ų31.85%0.04816%0.164CC..Hα-helixtrans-57.1-49.5172.1173.80000110.7M409 L412 P426 Q434M409-V430 HydrophobicContact CB-CB 4.38Å; M409-V430 HydrophobicContact CB-CG1 3.87Å; M409-V430 HydrophobicContact CB-CG2 4.44Å; M409-V430 WeakPolarHBondContact O-CG2 3.39Å; L412-V430 HydrophobicContact CB-CG2 4.26Å; L412-V430 HydrophobicContact CD2-CG2 4.08Å; P426-V430 PolarHBondContact O-N 3.15Å; P426-V430 VanDerWaalsContact O-N 3.1Å; V430-Q434 WeakPolarHBondContact O-CB 3.17Å; V430-Q434 VanDerWaalsContact O-CG 3.23Å; V430-Q434 WeakPolarHBondContact O-CG 3.5Å; V430-Q434 PolarHBondContact O-N 3.07Å
431S91.3Very high88.7Confident25 Ų2525.3 Ų25.318%0.17514%0.14CC..Hα-helixtrans-65.3-45.1-179.7-167.20000111.9N427 V428 Q434 I435N427-S431 WeakPolarHBondContact O-CB 3.35Å; N427-S431 PolarHBondContact O-N 3.06Å; V428-S431 PolarHBondContact O-N 3.18Å; S431-Q434 PolarHBondContact O-N 3.32Å; S431-I435 VanDerWaalsContact O-CG1 3.29Å; S431-I435 WeakPolarHBondContact O-CG1 3.47Å; S431-I435 PolarHBondContact O-N 3.19Å
432R92.9Very high89.6Confident47 Ų4725.5 Ų25.518%0.17714%0.141CC..Hα-helixtrans-63-46178.5-179.954.8167.4-177.1-9.6111.8E200 V428 F429 Q434 I435 L436 F490 E493E200-R432 IonicContact OE1-CZ 3.8Å; E200-R432 IonicContact OE1-NH1 2.81Å; E200-R432 PolarHBondContact OE1-NH1 2.91Å; E200-R432 IonicContact OE1-NH2 2.74Å; E200-R432 PolarHBondContact OE1-NH2 3.1Å; E200-R432 IonicContact OE2-NH2 2.95Å; V428-R432 PolarHBondContact O-N 3.22Å; F429-R432 PolarHBondContact O-N 3.27Å; R432-Q434 VanDerWaalsContact C-N 3.35Å; R432-Q434 PolarHBondContact O-N 2.9Å; R432-I435 PolarHBondContact O-N 3.38Å; R432-L436 HydrophobicContact CG-CD1 4.15Å; R432-L436 WeakPolarHBondContact O-CG 3.41Å; R432-L436 PolarHBondContact O-N 3.12Å; R432-F490 HydrophobicContact CB-CE2 4.1Å; R432-F490 HydrophobicContact CG-CD2 3.92Å; R432-F490 HydrophobicContact CG-CE2 3.97Å; R432-E493 IonicContact NE-OE2 3.4Å
433A95.9Very high90.7Very high0 Ų022.2 Ų22.20%012%0.123CC..Hα-helixtrans-61.6-41.1177.200000112.4T354 M409 F429 I435 L436 M437 F490T354-A433 HydrophobicContact CG2-CB 4.46Å; M409-A433 HydrophobicContact CE-CB 3.58Å; M409-A433 HydrophobicContact CG-CB 3.84Å; M409-A433 HydrophobicContact SD-CB 3.57Å; M409-A433 VanDerWaalsContact SD-CB 3.57Å; F429-A433 VanDerWaalsContact O-CB 3.3Å; F429-A433 WeakPolarHBondContact O-CB 3.39Å; F429-A433 PolarHBondContact O-N 2.97Å; A433-I435 PolarHBondContact O-N 3.29Å; A433-L436 PolarHBondContact O-N 2.88Å; A433-M437 HydrophobicContact CB-CE 4.34Å; A433-M437 WeakPolarHBondContact O-CB 3.35Å; A433-M437 WeakPolarHBondContact O-CG 3.45Å; A433-M437 PolarHBondContact O-N 2.97Å; A433-F490 HydrophobicContact CB-CE1 4.16Å; A433-F490 HydrophobicContact CB-CE2 4.26Å; A433-F490 HydrophobicContact CB-CZ 3.83Å
434Q95.9Very high91.9Very high12 Ų1221.8 Ų21.86%0.05612%0.12CC..Hα-helixtrans-66.4-33.5175.8-71.5173.8-0.400113Y406 M409 V430 S431 R432 R438Y406-Q434 HydrophobicContact CD1-CB 3.77Å; Y406-Q434 HydrophobicContact CD1-CG 3.77Å; Y406-Q434 HydrophobicContact CE1-CB 4.17Å; Y406-Q434 VanDerWaalsContact CE1-O 3.3Å; Y406-Q434 WeakPolarHBondContact CE1-O 3.37Å; Y406-Q434 HydrophobicContact CG-CB 4.43Å; Y406-Q434 HydrophobicContact CG-CG 4.12Å; Y406-Q434 PolarHBondContact O-NE2 3.31Å; M409-Q434 HydrophobicContact CB-CG 4.28Å; M409-Q434 HydrophobicContact CG-CG 4.16Å; V430-Q434 WeakPolarHBondContact O-CB 3.17Å; V430-Q434 VanDerWaalsContact O-CG 3.23Å; V430-Q434 WeakPolarHBondContact O-CG 3.5Å; V430-Q434 PolarHBondContact O-N 3.07Å; S431-Q434 PolarHBondContact O-N 3.32Å; R432-Q434 VanDerWaalsContact C-N 3.35Å; R432-Q434 PolarHBondContact O-N 2.9Å; Q434-R438 PolarHBondContact O-N 3.01Å
435I94.6Very high93.1Very high0 Ų017.9 Ų17.90%09%0.093CC..Hα-helixtrans-66.2-47.9173-73.4-71000110.6R192 N196 S431 R432 A433 M437 R438 E439R192-I435 HydrophobicContact CG-CD1 3.96Å; R192-I435 HydrophobicContact CG-CG1 4.06Å; N196-I435 HydrophobicContact CB-CD1 3.92Å; N196-I435 HydrophobicContact CB-CG1 4.31Å; S431-I435 VanDerWaalsContact O-CG1 3.29Å; S431-I435 WeakPolarHBondContact O-CG1 3.47Å; S431-I435 PolarHBondContact O-N 3.19Å; R432-I435 PolarHBondContact O-N 3.38Å; A433-I435 PolarHBondContact O-N 3.29Å; I435-M437 VanDerWaalsContact C-N 3.32Å; I435-M437 PolarHBondContact O-N 3.05Å; I435-R438 WeakPolarHBondContact O-CB 3.18Å; I435-R438 PolarHBondContact O-N 3.38Å; I435-R438 VanDerWaalsContact O-N 3.1Å; I435-E439 WeakPolarHBondContact CG2-OE1 3.35Å; I435-E439 PolarHBondContact O-N 2.86Å
436L95.5Very high93.9Very high18 Ų1817.3 Ų17.39%0.0949%0.089CC..Hα-helixtrans-62.9-36176.7-65171.1000112.8F358 R432 A433 E439 Q440 V486 F490F358-L436 HydrophobicContact CZ-CB 4.01Å; R432-L436 HydrophobicContact CG-CD1 4.15Å; R432-L436 WeakPolarHBondContact O-CG 3.41Å; R432-L436 PolarHBondContact O-N 3.12Å; A433-L436 PolarHBondContact O-N 2.88Å; L436-E439 PolarHBondContact O-N 3.03Å; L436-Q440 WeakPolarHBondContact O-CB 3.12Å; L436-Q440 WeakPolarHBondContact O-CG 3.27Å; L436-Q440 PolarHBondContact O-N 3.39Å; L436-V486 HydrophobicContact CB-CG1 3.96Å; L436-V486 HydrophobicContact CD1-CG1 3.98Å; L436-V486 HydrophobicContact CD2-CG1 3.96Å; L436-V486 HydrophobicContact CG-CG1 4.18Å; L436-F490 HydrophobicContact CD1-CB 3.88Å; L436-F490 HydrophobicContact CD1-CD2 4Å; L436-F490 HydrophobicContact CD1-CG 4.13Å
437M97.4Very high94.3Very high0 Ų016.3 Ų16.30%08%0.082CC..Hα-helixtrans-60.6-42.1172.4-78.8168.9-16500112.3F358 V361 Y406 M409 A433 I435 M441F358-M437 HydrophobicContact CD2-CE 3.68Å; F358-M437 HydrophobicContact CD2-CG 3.65Å; F358-M437 HydrophobicContact CE2-CE 3.94Å; F358-M437 HydrophobicContact CE2-CG 3.63Å; F358-M437 HydrophobicContact CG-CG 4.35Å; F358-M437 HydrophobicContact CZ-CG 4.33Å; V361-M437 HydrophobicContact CG2-CB 4.01Å; V361-M437 HydrophobicContact CG2-CG 4.26Å; Y406-M437 HydrophobicContact CD1-SD 4.48Å; Y406-M437 HydrophobicContact CE1-CB 4.33Å; M409-M437 HydrophobicContact CG-CE 3.62Å; M409-M437 HydrophobicContact CG-SD 4.31Å; M409-M437 HydrophobicContact SD-CE 3.74Å; A433-M437 HydrophobicContact CB-CE 4.34Å; A433-M437 WeakPolarHBondContact O-CB 3.35Å; A433-M437 WeakPolarHBondContact O-CG 3.45Å; A433-M437 PolarHBondContact O-N 2.97Å; I435-M437 VanDerWaalsContact C-N 3.32Å; I435-M437 PolarHBondContact O-N 3.05Å; M437-M441 PolarHBondContact O-N 2.84Å; M437-M441 VanDerWaalsContact O-N 3.15Å
438R95.8Very high94.6Very high31 Ų3113.3 Ų13.312%0.1177%0.066CC..Hα-helixtrans-65.5-46.7176.7-178.5-162.764-177.9-3.9111.6A396 F397 Q434 I435 M441 D442A396-R438 HydrophobicContact CB-CG 4.47Å; A396-R438 WeakPolarHBondContact O-CG 3.47Å; F397-R438 HydrophobicContact CD1-CG 4.47Å; F397-R438 HydrophobicContact CE1-CG 4.19Å; Q434-R438 PolarHBondContact O-N 3.01Å; I435-R438 WeakPolarHBondContact O-CB 3.18Å; I435-R438 PolarHBondContact O-N 3.38Å; I435-R438 VanDerWaalsContact O-N 3.1Å; R438-M441 WeakPolarHBondContact O-CB 3.39Å; R438-M441 PolarHBondContact O-N 3.39Å; R438-D442 PolarHBondContact O-N 3.1Å
439E94.6Very high94.8Very high58 Ų5811.2 Ų11.227%0.2715%0.054SC..Hα-helixtrans-61.9-43.5178.1-80.5134.5-150.100112I435 L436 M441 D442 N443I435-E439 WeakPolarHBondContact CG2-OE1 3.35Å; I435-E439 PolarHBondContact O-N 2.86Å; L436-E439 PolarHBondContact O-N 3.03Å; E439-M441 VanDerWaalsContact C-N 3.27Å; E439-M441 PolarHBondContact O-N 3.38Å; E439-D442 PolarHBondContact O-N 3.38Å; E439-N443 WeakPolarHBondContact O-CB 3.47Å; E439-N443 PolarHBondContact O-N 2.83Å; E439-N443 PolarHBondContact O-ND2 2.85Å; E439-N443 VanDerWaalsContact O-ND2 3.15Å; E439-N443 PolarHBondContact O-OD1 2.84Å
440Q95.5Very high94.7Very high8 Ų811.5 Ų11.54%0.0376%0.055CC..Hα-helixtrans-67-26176.1-69.4-69.5-70.400113.4F358 L436 N443 A444 Y479 D482 V486F358-Q440 HydrophobicContact CE1-CG 4.02Å; L436-Q440 WeakPolarHBondContact O-CB 3.12Å; L436-Q440 WeakPolarHBondContact O-CG 3.27Å; L436-Q440 PolarHBondContact O-N 3.39Å; Q440-N443 PolarHBondContact NE2-ND2 3.46Å; Q440-A444 WeakPolarHBondContact O-CB 3.49Å; Q440-A444 PolarHBondContact O-N 3.35Å; Q440-Y479 HydrophobicContact CB-CD2 4.44Å; Q440-Y479 HydrophobicContact CB-CE2 3.74Å; Q440-D482 VanDerWaalsContact OE1-CB 3.31Å; Q440-V486 HydrophobicContact CG-CG2 4.42Å
441M97.5Very high94.6Very high0 Ų011.3 Ų11.30%05%0.053CC..Hα-helixtrans-69.8-49.4169.4-177.864.29600111.6V361 T364 F365 L395 A396 M402 M437 R438 E439 N443 A444 V445V361-M441 HydrophobicContact CG1-CB 4.05Å; V361-M441 HydrophobicContact CG1-CE 4.07Å; V361-M441 HydrophobicContact CG1-SD 4.43Å; V361-M441 WeakPolarHBondContact O-CE 3.33Å; T364-M441 HydrophobicContact CG2-CE 3.86Å; F365-M441 HydrophobicContact CB-CE 4.16Å; F365-M441 HydrophobicContact CB-SD 3.77Å; F365-M441 HydrophobicContact CD2-SD 4.44Å; L395-M441 HydrophobicContact CD2-CE 3.74Å; L395-M441 HydrophobicContact CD2-SD 3.64Å; L395-M441 HydrophobicContact CG-CE 3.94Å; L395-M441 HydrophobicContact CG-CG 4.32Å; L395-M441 HydrophobicContact CG-SD 4.03Å; A396-M441 HydrophobicContact CB-CB 3.88Å; A396-M441 HydrophobicContact CB-CG 3.71Å; M402-M441 HydrophobicContact CE-CB 3.9Å; M402-M441 HydrophobicContact CE-CG 4.3Å; M402-M441 HydrophobicContact SD-CB 4.02Å; M402-M441 HydrophobicContact SD-CE 3.53Å; M402-M441 VanDerWaalsContact SD-CE 3.53Å; M402-M441 HydrophobicContact SD-CG 3.74Å; M437-M441 PolarHBondContact O-N 2.84Å; M437-M441 VanDerWaalsContact O-N 3.15Å; R438-M441 WeakPolarHBondContact O-CB 3.39Å; R438-M441 PolarHBondContact O-N 3.39Å; E439-M441 VanDerWaalsContact C-N 3.27Å; E439-M441 PolarHBondContact O-N 3.38Å; M441-N443 PolarHBondContact O-N 2.92Å; M441-A444 PolarHBondContact O-N 3.37Å; M441-A444 VanDerWaalsContact O-N 3.15Å; M441-V445 HydrophobicContact CG-CG2 4.48Å; M441-V445 WeakPolarHBondContact O-CG2 3.45Å; M441-V445 PolarHBondContact O-N 3.4Å; M441-V445 HydrophobicContact SD-CG2 4.31Å
442D95.8Very high94.5Very high8 Ų810.1 Ų10.14%0.0435%0.045CC..Hα-helixtrans-62-43.6-179.7-171.864.2000111.3R61 P64 A396 F397 R438 E439 A444 V445 F446R61-D442 WeakPolarHBondContact CB-OD2 3.38Å; R61-D442 IonicContact CZ-OD1 2.74Å; R61-D442 IonicContact NH1-OD1 2.7Å; R61-D442 PolarHBondContact NH1-OD1 2.98Å; P64-D442 WeakPolarHBondContact CG-OD2 3.24Å; A396-D442 HydrophobicContact CB-CB 3.75Å; F397-D442 WeakPolarHBondContact CE2-OD1 3.44Å; F397-D442 HydrophobicContact CZ-CB 4.38Å; R438-D442 PolarHBondContact O-N 3.1Å; E439-D442 PolarHBondContact O-N 3.38Å; D442-A444 VanDerWaalsContact C-N 3.31Å; D442-A444 PolarHBondContact O-N 3.13Å; D442-V445 PolarHBondContact O-N 2.87Å; D442-F446 WeakPolarHBondContact O-CB 3.45Å; D442-F446 PolarHBondContact O-N 3.02Å
443N95.2Very high94.3Very high11 Ų1110 Ų106%0.0595%0.047CC..Hα-helixtrans-60-38.9174.3-64.1-20.8000112.2L58 L59 H60 E439 Q440 M441 T447L58-N443 HydrophobicContact CB-CB 3.85Å; L58-N443 HydrophobicContact CD1-CB 3.88Å; L59-N443 WeakPolarHBondContact O-CA 3.36Å; H60-N443 PolarHBondContact CD2-ND2 3.35Å; H60-N443 PolarHBondContact CD2-OD1 2.83Å; E439-N443 WeakPolarHBondContact O-CB 3.47Å; E439-N443 PolarHBondContact O-N 2.83Å; E439-N443 PolarHBondContact O-ND2 2.85Å; E439-N443 VanDerWaalsContact O-ND2 3.15Å; E439-N443 PolarHBondContact O-OD1 2.84Å; Q440-N443 PolarHBondContact NE2-ND2 3.46Å; M441-N443 PolarHBondContact O-N 2.92Å; N443-T447 VanDerWaalsContact O-CB 3.26Å; N443-T447 WeakPolarHBondContact O-CB 3.27Å; N443-T447 PolarHBondContact O-N 3.41Å; N443-T447 PolarHBondContact O-OG1 3.21Å
444A96.4Very high93.9Very high0 Ų013.8 Ų13.80%06%0.061CC..Hα-helixtrans-68.6-45.7177.400000111.9L58 F365 Q440 M441 D442 T447 F448 V475 Y479L58-A444 HydrophobicContact CD1-CB 4.31Å; F365-A444 HydrophobicContact CD2-CB 4.31Å; F365-A444 HydrophobicContact CE2-CB 4.39Å; Q440-A444 WeakPolarHBondContact O-CB 3.49Å; Q440-A444 PolarHBondContact O-N 3.35Å; M441-A444 PolarHBondContact O-N 3.37Å; M441-A444 VanDerWaalsContact O-N 3.15Å; D442-A444 VanDerWaalsContact C-N 3.31Å; D442-A444 PolarHBondContact O-N 3.13Å; A444-T447 PolarHBondContact O-N 2.87Å; A444-F448 WeakPolarHBondContact O-CB 3.46Å; A444-F448 PolarHBondContact O-N 3.02Å; A444-V475 HydrophobicContact CB-CG1 3.88Å; A444-V475 WeakPolarHBondContact O-CG1 3.43Å; A444-Y479 HydrophobicContact CB-CD2 4.11Å
445V95.6Very high93.5Very high1 Ų114.1 Ų14.11%0.0067%0.066CC..Hα-helixtrans-60-52.2175.7166.40000111F365 L392 L395 M441 D442 T447 F448 E449F365-V445 HydrophobicContact CD2-CG2 4.15Å; F365-V445 HydrophobicContact CE2-CG2 4.4Å; L392-V445 HydrophobicContact CG-CG1 4.42Å; L392-V445 HydrophobicContact CG-CG2 4.47Å; L392-V445 VanDerWaalsContact O-CG1 3.27Å; L392-V445 WeakPolarHBondContact O-CG1 3.4Å; L395-V445 HydrophobicContact CB-CG2 4.22Å; L395-V445 HydrophobicContact CD2-CG2 4.32Å; M441-V445 HydrophobicContact CG-CG2 4.48Å; M441-V445 WeakPolarHBondContact O-CG2 3.45Å; M441-V445 PolarHBondContact O-N 3.4Å; M441-V445 HydrophobicContact SD-CG2 4.31Å; D442-V445 PolarHBondContact O-N 2.87Å; V445-T447 PolarHBondContact O-N 3.09Å; V445-F448 WeakPolarHBondContact O-CA 3.47Å; V445-F448 WeakPolarHBondContact O-CB 3.33Å; V445-F448 PolarHBondContact O-N 3.17Å; V445-F448 VanDerWaalsContact O-N 3.09Å; V445-E449 WeakPolarHBondContact O-CG 3.25Å; V445-E449 PolarHBondContact O-N 2.87Å
446F94.1Very high93Very high4 Ų414.9 Ų14.92%0.0187%0.069CC..Hα-helixtrans-63.6-39.2179.1-178.3-127.8000112.1L59 H60 R61 D442 F448 E449 Q450L59-F446 HydrophobicContact CB-CD1 3.67Å; L59-F446 HydrophobicContact CB-CE1 3.82Å; H60-F446 VanDerWaalsContact O-CE1 3.31Å; H60-F446 WeakPolarHBondContact O-CE1 3.09Å; R61-F446 HydrophobicContact CB-CB 4.22Å; R61-F446 HydrophobicContact CB-CD1 3.82Å; R61-F446 HydrophobicContact CB-CD2 4.39Å; R61-F446 HydrophobicContact CB-CE1 4.26Å; R61-F446 HydrophobicContact CB-CG 3.89Å; R61-F446 HydrophobicContact CG-CD2 4.28Å; R61-F446 HydrophobicContact CG-CG 4.28Å; D442-F446 WeakPolarHBondContact O-CB 3.45Å; D442-F446 PolarHBondContact O-N 3.02Å; F446-F448 VanDerWaalsContact C-N 3.32Å; F446-F448 PolarHBondContact O-N 3.22Å; F446-E449 PolarHBondContact O-N 3.38Å; F446-Q450 HydrophobicContact CD2-CG 4.07Å; F446-Q450 HydrophobicContact CE1-CG 4.5Å; F446-Q450 HydrophobicContact CE2-CG 3.67Å; F446-Q450 HydrophobicContact CZ-CG 3.92Å; F446-Q450 WeakPolarHBondContact O-CG 3.14Å; F446-Q450 PolarHBondContact O-N 2.88Å
447T94.1Very high92.4Very high0 Ų020.3 Ų20.30%010%0.095CC..Hα-helixtrans-63.8-38.4173.4-53.70000111.7L58 L59 N443 A444 V445 L451 V475L58-T447 WeakPolarHBondContact CA-OG1 3.46Å; L58-T447 HydrophobicContact CD2-CG2 3.99Å; L58-T447 WeakPolarHBondContact CD2-OG1 3.36Å; L59-T447 PolarHBondContact N-OG1 2.99Å; N443-T447 VanDerWaalsContact O-CB 3.26Å; N443-T447 WeakPolarHBondContact O-CB 3.27Å; N443-T447 PolarHBondContact O-N 3.41Å; N443-T447 PolarHBondContact O-OG1 3.21Å; A444-T447 PolarHBondContact O-N 2.87Å; V445-T447 PolarHBondContact O-N 3.09Å; T447-L451 HydrophobicContact CG2-CD1 4.03Å; T447-L451 HydrophobicContact CG2-CG 4.34Å; T447-L451 VanDerWaalsContact O-CB 3.32Å; T447-L451 WeakPolarHBondContact O-CB 3.44Å; T447-L451 WeakPolarHBondContact O-CG 3.21Å; T447-L451 PolarHBondContact O-N 3.43Å; T447-L451 VanDerWaalsContact O-N 3.1Å; T447-V475 HydrophobicContact CG2-CG2 4Å
448F94.8Very high91.7Very high0 Ų024.2 Ų24.20%013%0.127CC..Hα-helixtrans-63.6-45.8174.9176.8-98.6000111.6F365 V369 L389 L392 A444 V445 F446 L451 L452 I468 C471 V475F365-F448 HydrophobicContact CE2-CB 4.06Å; F365-F448 HydrophobicContact CE2-CG 4.41Å; F365-F448 HydrophobicContact CZ-CB 3.95Å; F365-F448 HydrophobicContact CZ-CD2 4.27Å; F365-F448 HydrophobicContact CZ-CG 4.22Å; V369-F448 HydrophobicContact CG1-CD2 4.3Å; V369-F448 HydrophobicContact CG1-CE1 4.42Å; V369-F448 HydrophobicContact CG1-CE2 3.55Å; V369-F448 HydrophobicContact CG1-CZ 3.63Å; V369-F448 HydrophobicContact CG2-CD1 4.44Å; V369-F448 HydrophobicContact CG2-CE1 4.28Å; V369-F448 HydrophobicContact CG2-CE2 4.4Å; V369-F448 HydrophobicContact CG2-CZ 4.26Å; L389-F448 HydrophobicContact CD2-CE1 3.95Å; L392-F448 HydrophobicContact CD2-CD1 3.57Å; L392-F448 HydrophobicContact CD2-CE1 3.67Å; A444-F448 WeakPolarHBondContact O-CB 3.46Å; A444-F448 PolarHBondContact O-N 3.02Å; V445-F448 WeakPolarHBondContact O-CA 3.47Å; V445-F448 WeakPolarHBondContact O-CB 3.33Å; V445-F448 PolarHBondContact O-N 3.17Å; V445-F448 VanDerWaalsContact O-N 3.09Å; F446-F448 VanDerWaalsContact C-N 3.32Å; F446-F448 PolarHBondContact O-N 3.22Å; F448-L451 PolarHBondContact O-N 2.81Å; F448-L452 HydrophobicContact CE1-CD2 3.82Å; F448-L452 HydrophobicContact CZ-CD2 3.89Å; F448-L452 VanDerWaalsContact O-CB 3.26Å; F448-L452 WeakPolarHBondContact O-CB 3.47Å; F448-L452 PolarHBondContact O-N 3.38Å; F448-I468 HydrophobicContact CE2-CG2 4.33Å; F448-I468 HydrophobicContact CZ-CG1 4.49Å; F448-I468 HydrophobicContact CZ-CG2 4.06Å; F448-C471 HydrophobicContact CD2-CB 3.94Å; F448-C471 HydrophobicContact CE2-CB 3.9Å; F448-V475 HydrophobicContact CB-CG2 4.01Å
449E92.3Very high90.6Very high2 Ų228.6 Ų28.61%0.00915%0.148CC..Hα-helixtrans-55.5-54.5176.3-71.8166.3-178.600111.9R61 S393 V445 F446 L451 L452 H453 V586 W588R61-E449 IonicContact CZ-OE2 3.35Å; R61-E449 IonicContact NH2-OE1 3.76Å; R61-E449 PolarHBondContact NH2-OE1 3.34Å; R61-E449 IonicContact NH2-OE2 3.04Å; R61-E449 PolarHBondContact NH2-OE2 3.25Å; S393-E449 WeakPolarHBondContact CA-OE1 3.41Å; S393-E449 WeakPolarHBondContact CB-OE1 3.45Å; V445-E449 WeakPolarHBondContact O-CG 3.25Å; V445-E449 PolarHBondContact O-N 2.87Å; F446-E449 PolarHBondContact O-N 3.38Å; E449-L451 VanDerWaalsContact C-N 3.32Å; E449-L451 PolarHBondContact O-N 3.01Å; E449-L452 PolarHBondContact O-N 2.93Å; E449-H453 WeakPolarHBondContact O-CB 3.48Å; E449-H453 PolarHBondContact O-N 2.87Å; E449-V586 HydrophobicContact CB-CG2 4.38Å; E449-W588 HydrophobicContact CB-CZ2 4.13Å; E449-W588 HydrophobicContact CG-CZ2 4.21Å
450Q90.8Very high89.3Confident9 Ų927.3 Ų27.34%0.04215%0.151CC..Hα-helixtrans-68.6-31.9-175.7-54.7-48.664.400112.3L59 F446 R454 L580 T583 P584 V586L59-Q450 HydrophobicContact CD1-CB 3.96Å; L59-Q450 HydrophobicContact CD1-CG 3.9Å; F446-Q450 HydrophobicContact CD2-CG 4.07Å; F446-Q450 HydrophobicContact CE1-CG 4.5Å; F446-Q450 HydrophobicContact CE2-CG 3.67Å; F446-Q450 HydrophobicContact CZ-CG 3.92Å; F446-Q450 WeakPolarHBondContact O-CG 3.14Å; F446-Q450 PolarHBondContact O-N 2.88Å; Q450-R454 PolarHBondContact O-N 3.03Å; Q450-L580 HydrophobicContact CB-CB 4.33Å; Q450-L580 HydrophobicContact CB-CD1 3.63Å; Q450-L580 HydrophobicContact CB-CG 4.39Å; Q450-L580 HydrophobicContact CG-CB 4.38Å; Q450-T583 PolarHBondContact NE2-OG1 3.42Å; Q450-P584 PolarHBondContact NE2-O 3.12Å; Q450-P584 VanDerWaalsContact NE2-O 3.07Å; Q450-V586 VanDerWaalsContact OE1-CG2 3.22Å
451L90.8Very high87.9Confident3 Ų331.3 Ų31.32%0.01617%0.17CC..Hα-helixtrans-71.4-43.7174.1-72.3-176.8000112.3T447 F448 E449 A455 C471 R474 V475 L577T447-L451 HydrophobicContact CG2-CD1 4.03Å; T447-L451 HydrophobicContact CG2-CG 4.34Å; T447-L451 VanDerWaalsContact O-CB 3.32Å; T447-L451 WeakPolarHBondContact O-CB 3.44Å; T447-L451 WeakPolarHBondContact O-CG 3.21Å; T447-L451 PolarHBondContact O-N 3.43Å; T447-L451 VanDerWaalsContact O-N 3.1Å; F448-L451 PolarHBondContact O-N 2.81Å; E449-L451 VanDerWaalsContact C-N 3.32Å; E449-L451 PolarHBondContact O-N 3.01Å; L451-A455 WeakPolarHBondContact O-CB 3.41Å; L451-A455 PolarHBondContact O-N 3.12Å; L451-C471 HydrophobicContact CB-CB 4.26Å; L451-R474 HydrophobicContact CD1-CB 4.12Å; L451-V475 HydrophobicContact CD1-CG2 4.06Å; L451-L577 HydrophobicContact CD2-CD1 3.82Å; L451-L577 HydrophobicContact CG-CD1 4.41Å
452L90.3Very high86.4Confident0 Ų040.8 Ų40.80%021%0.214CC..Hα-helixtrans-65.9-40176.5-178.361.9000110.9L389 F448 E449 A455 L456 I468 W588L389-L452 HydrophobicContact CD1-CD2 4.07Å; L389-L452 HydrophobicContact CD2-CD2 3.89Å; F448-L452 HydrophobicContact CE1-CD2 3.82Å; F448-L452 HydrophobicContact CZ-CD2 3.89Å; F448-L452 VanDerWaalsContact O-CB 3.26Å; F448-L452 WeakPolarHBondContact O-CB 3.47Å; F448-L452 PolarHBondContact O-N 3.38Å; E449-L452 PolarHBondContact O-N 2.93Å; L452-A455 PolarHBondContact O-N 3.47Å; L452-L456 HydrophobicContact CD1-CD1 4.3Å; L452-L456 HydrophobicContact CD1-CG 4.29Å; L452-L456 HydrophobicContact CG-CD1 4.08Å; L452-L456 WeakPolarHBondContact O-CG 3.46Å; L452-L456 PolarHBondContact O-N 3.46Å; L452-I468 HydrophobicContact CD1-CG1 3.94Å; L452-I468 HydrophobicContact CD2-CG1 4.31Å; L452-W588 HydrophobicContact CB-CH2 4.46Å; L452-W588 HydrophobicContact CD2-CH2 4.17Å; L452-W588 HydrophobicContact CG-CH2 4.26Å
453H88.4Confident85.5Confident46 Ų4643 Ų4321%0.21323%0.226CC..Hα-helixtrans-56.6-54.2175.5-167.9-77.6000111.5E449 A455 L456 E457 V586 W588 K591E449-H453 WeakPolarHBondContact O-CB 3.48Å; E449-H453 PolarHBondContact O-N 2.87Å; H453-A455 VanDerWaalsContact C-N 3.31Å; H453-A455 PolarHBondContact O-N 2.93Å; H453-L456 PolarHBondContact O-N 2.77Å; H453-E457 IonicContact CE1-OE1 3.92Å; H453-E457 PolarHBondContact CE1-OE1 3.15Å; H453-E457 IonicContact CE1-OE2 3.45Å; H453-E457 PolarHBondContact CE1-OE2 3.5Å; H453-E457 VanDerWaalsContact ND1-CD 3.27Å; H453-E457 IonicContact ND1-OE1 3.52Å; H453-E457 IonicContact ND1-OE2 2.7Å; H453-E457 PolarHBondContact ND1-OE2 3.15Å; H453-E457 WeakPolarHBondContact O-CG 3.3Å; H453-E457 PolarHBondContact O-N 2.83Å; H453-V586 HydrophobicContact CB-CG2 3.99Å; H453-W588 HydrophobicContact CB-CH2 4.41Å; H453-K591 PolarHBondContact CD2-NZ 3.44Å; H453-K591 PolarHBondContact NE2-NZ 3.15Å
454R87Confident84.8Confident79 Ų7944 Ų4430%0.29823%0.231SC..Hα-helixtrans-59.9-38.1176.3-80.8-174.1167.9175.24.5112.5Q450 E457 A458 N576 L580Q450-R454 PolarHBondContact O-N 3.03Å; R454-E457 PolarHBondContact O-N 3.42Å; R454-A458 VanDerWaalsContact O-CB 3.29Å; R454-A458 WeakPolarHBondContact O-CB 3.42Å; R454-A458 PolarHBondContact O-N 2.8Å; R454-N576 PolarHBondContact NH1-O 2.67Å; R454-N576 PolarHBondContact NH2-O 2.84Å; R454-N576 VanDerWaalsContact NH2-O 3.08Å; R454-L580 VanDerWaalsContact CZ-CD1 3.41Å; R454-L580 VanDerWaalsContact CZ-CG 3.47Å; R454-L580 VanDerWaalsContact NH2-CG 3.34Å
455A86.9Confident84.3Confident19 Ų1945.6 Ų45.616%0.15724%0.241CC..Hα-helixtrans-63.9-43.6178.500000111.8L451 L452 H453 A458 Q459 N467L451-A455 WeakPolarHBondContact O-CB 3.41Å; L451-A455 PolarHBondContact O-N 3.12Å; L452-A455 PolarHBondContact O-N 3.47Å; H453-A455 VanDerWaalsContact C-N 3.31Å; H453-A455 PolarHBondContact O-N 2.93Å; A455-A458 PolarHBondContact O-N 3.09Å; A455-Q459 PolarHBondContact O-N 2.86Å; A455-N467 HydrophobicContact CB-CB 4.3Å
456L84.4Confident83.8Confident15 Ų1550.7 Ų50.78%0.07926%0.264CS..Hα-helixtrans-67-38.7176.9-67.3169000112.3L452 H453 A458 G460 E461 L464 W588 F592L452-L456 HydrophobicContact CD1-CD1 4.3Å; L452-L456 HydrophobicContact CD1-CG 4.29Å; L452-L456 HydrophobicContact CG-CD1 4.08Å; L452-L456 WeakPolarHBondContact O-CG 3.46Å; L452-L456 PolarHBondContact O-N 3.46Å; H453-L456 PolarHBondContact O-N 2.77Å; L456-A458 VanDerWaalsContact C-N 3.31Å; L456-A458 PolarHBondContact O-N 2.96Å; L456-G460 WeakPolarHBondContact O-CA 3.33Å; L456-G460 PolarHBondContact O-N 3.27Å; L456-E461 HydrophobicContact CD2-CG 4.4Å; L456-L464 HydrophobicContact CD2-CD1 3.93Å; L456-W588 HydrophobicContact CD1-CZ3 4.22Å; L456-F592 HydrophobicContact CD1-CZ 4.13Å
457E83.3Confident83.6Confident133 Ų13350.6 Ų50.662%0.62126%0.263SS*.Hα-helixtrans-63.9-34.2173.6-71.8178119.300113.1H453 R454H453-E457 IonicContact CE1-OE1 3.92Å; H453-E457 PolarHBondContact CE1-OE1 3.15Å; H453-E457 IonicContact CE1-OE2 3.45Å; H453-E457 PolarHBondContact CE1-OE2 3.5Å; H453-E457 VanDerWaalsContact ND1-CD 3.27Å; H453-E457 IonicContact ND1-OE1 3.52Å; H453-E457 IonicContact ND1-OE2 2.7Å; H453-E457 PolarHBondContact ND1-OE2 3.15Å; H453-E457 WeakPolarHBondContact O-CG 3.3Å; H453-E457 PolarHBondContact O-N 2.83Å; R454-E457 PolarHBondContact O-N 3.42Å
458A81.6Confident83.4Confident82 Ų8250.6 Ų50.668%0.67826%0.263SS*.Hα-helixtrans-93-31.5-173.100000114.6R454 A455 L456R454-A458 VanDerWaalsContact O-CB 3.29Å; R454-A458 WeakPolarHBondContact O-CB 3.42Å; R454-A458 PolarHBondContact O-N 2.8Å; A455-A458 PolarHBondContact O-N 3.09Å; L456-A458 VanDerWaalsContact C-N 3.31Å; L456-A458 PolarHBondContact O-N 2.96Å
459Q72.7Confident83.2Confident122 Ų12255.7 Ų55.757%0.5729%0.287SS*.Hα-helixtrans-121.7-5-172.9-60.1-171.9-3.200113.7A455 N467A455-Q459 PolarHBondContact O-N 2.86Å; Q459-N467 PolarHBondContact OE1-OD1 3.36Å
460G67.7Low83.1Confident31 Ų3160 Ų6032%0.3231%0.306SS..  trans71.5-168.2-175.600000113.3L456L456-G460 WeakPolarHBondContact O-CA 3.33Å; L456-G460 PolarHBondContact O-N 3.27Å
461E67.4Low83.2Confident93 Ų9359.7 Ų59.744%0.43531%0.305SS..SBendtrans-96.2-15.5-171.1-62.1171.5152.900113.7K382 L456 D463 L464K382-E461 WeakPolarHBondContact CE-OE1 3.5Å; K382-E461 VanDerWaalsContact CE-OE2 3.3Å; K382-E461 WeakPolarHBondContact CE-OE2 3.47Å; K382-E461 IonicContact NZ-OE1 3.81Å; K382-E461 PolarHBondContact NZ-OE1 2.67Å; K382-E461 IonicContact NZ-OE2 3.19Å; K382-E461 PolarHBondContact NZ-OE2 2.98Å; L456-E461 HydrophobicContact CD2-CG 4.4Å; E461-D463 PolarHBondContact O-N 2.7Å; E461-L464 WeakPolarHBondContact O-CB 3.47Å; E461-L464 PolarHBondContact O-N 2.94Å
462E65.3Low83.4Confident198 Ų19860 Ų6093%0.92531%0.306SS*.THydrogen-bonded Turntrans-59.2-21.5-172.5-62.7-173158.900113.7
463D76.1Confident83.5Confident56 Ų5663.3 Ų63.330%0.29932%0.324SS..THydrogen-bonded Turntrans-119.725.7-179.7-117.97.4000113.3E461 C465 K466 N467E461-D463 PolarHBondContact O-N 2.7Å; D463-C465 PolarHBondContact O-N 2.85Å; D463-K466 WeakPolarHBondContact O-CB 3.26Å; D463-K466 PolarHBondContact O-N 3.17Å; D463-K466 WeakPolarHBondContact OD1-CD 3.32Å; D463-K466 WeakPolarHBondContact OD1-CE 3.41Å; D463-K466 IonicContact OD1-NZ 3.42Å; D463-K466 PolarHBondContact OD1-NZ 3.36Å; D463-K466 WeakPolarHBondContact OD2-CD 3.41Å; D463-K466 IonicContact OD2-NZ 3.52Å; D463-K466 PolarHBondContact OD2-NZ 3.21Å; D463-N467 PolarHBondContact O-N 2.88Å
464L82.2Confident83.7Confident32 Ų3265.8 Ų65.817%0.16833%0.331CS..Hα-helixtrans-42.9-55-174.817465.6000114.1L385 L456 E461 K466 N467 I468L385-L464 HydrophobicContact CD2-CD1 4.08Å; L385-L464 HydrophobicContact CD2-CD2 3.6Å; L385-L464 HydrophobicContact CD2-CG 4.5Å; L456-L464 HydrophobicContact CD2-CD1 3.93Å; E461-L464 WeakPolarHBondContact O-CB 3.47Å; E461-L464 PolarHBondContact O-N 2.94Å; L464-K466 VanDerWaalsContact C-N 3.31Å; L464-K466 PolarHBondContact O-N 3.04Å; L464-N467 CarbonylContact O-C 3.59Å; L464-N467 WeakPolarHBondContact O-CA 3.44Å; L464-N467 PolarHBondContact O-N 2.87Å; L464-I468 HydrophobicContact CD1-CD1 3.88Å; L464-I468 HydrophobicContact CD1-CG1 4.13Å; L464-I468 HydrophobicContact CG-CD1 3.94Å; L464-I468 WeakPolarHBondContact O-CG1 3.47Å; L464-I468 PolarHBondContact O-N 3.27Å
465C84.4Confident84.1Confident32 Ų3262 Ų6222%0.21632%0.317CS..Hα-helixtrans-58.8-40.9-179.21770000112.2S373 L377 D463 N467 Q469S373-C465 PolarHBondContact OG-SG 3.18Å; L377-C465 HydrophobicContact CD2-CB 3.89Å; L377-C465 HydrophobicContact CG-CB 4.29Å; D463-C465 PolarHBondContact O-N 2.85Å; C465-N467 VanDerWaalsContact C-N 3.3Å; C465-N467 PolarHBondContact O-N 3.45Å; C465-Q469 PolarHBondContact O-N 3.05Å
466K86.6Confident84.5Confident109 Ų10961.9 Ų61.947%0.47431%0.313SS..Hα-helixtrans-69.2-32175.9-54.4-171-157.2140.50111.1D463 L464 K470D463-K466 WeakPolarHBondContact O-CB 3.26Å; D463-K466 PolarHBondContact O-N 3.17Å; D463-K466 WeakPolarHBondContact OD1-CD 3.32Å; D463-K466 WeakPolarHBondContact OD1-CE 3.41Å; D463-K466 IonicContact OD1-NZ 3.42Å; D463-K466 PolarHBondContact OD1-NZ 3.36Å; D463-K466 WeakPolarHBondContact OD2-CD 3.41Å; D463-K466 IonicContact OD2-NZ 3.52Å; D463-K466 PolarHBondContact OD2-NZ 3.21Å; L464-K466 VanDerWaalsContact C-N 3.31Å; L464-K466 PolarHBondContact O-N 3.04Å; K466-K470 WeakPolarHBondContact O-CB 3.36Å; K466-K470 WeakPolarHBondContact O-CD 3.4Å; K466-K470 WeakPolarHBondContact O-CG 3.35Å; K466-K470 PolarHBondContact O-N 3.33Å
467N88.1Confident84.8Confident2 Ų267.5 Ų67.51%0.01134%0.337CS..Hα-helixtrans-74.6-38.3178.6-69.3-13.5000111.9A455 Q459 D463 L464 C465 K470 C471A455-N467 HydrophobicContact CB-CB 4.3Å; Q459-N467 PolarHBondContact OE1-OD1 3.36Å; D463-N467 PolarHBondContact O-N 2.88Å; L464-N467 CarbonylContact O-C 3.59Å; L464-N467 WeakPolarHBondContact O-CA 3.44Å; L464-N467 PolarHBondContact O-N 2.87Å; C465-N467 VanDerWaalsContact C-N 3.3Å; C465-N467 PolarHBondContact O-N 3.45Å; N467-K470 PolarHBondContact OD1-NZ 3.49Å; N467-C471 WeakPolarHBondContact O-CB 3.26Å; N467-C471 PolarHBondContact O-N 3.18Å; N467-C471 PolarHBondContact O-SG 3.2Å
468I90.6Very high85.2Confident0 Ų061.9 Ų61.90%031%0.311CS..Hα-helixtrans-56.5-54.6167.8-71.1168.6000109.8V369 F448 L452 L464 K470 C471 Q472V369-I468 HydrophobicContact CG1-CG2 3.76Å; F448-I468 HydrophobicContact CE2-CG2 4.33Å; F448-I468 HydrophobicContact CZ-CG1 4.49Å; F448-I468 HydrophobicContact CZ-CG2 4.06Å; L452-I468 HydrophobicContact CD1-CG1 3.94Å; L452-I468 HydrophobicContact CD2-CG1 4.31Å; L464-I468 HydrophobicContact CD1-CD1 3.88Å; L464-I468 HydrophobicContact CD1-CG1 4.13Å; L464-I468 HydrophobicContact CG-CD1 3.94Å; L464-I468 WeakPolarHBondContact O-CG1 3.47Å; L464-I468 PolarHBondContact O-N 3.27Å; I468-K470 PolarHBondContact O-N 3.43Å; I468-C471 PolarHBondContact O-N 2.89Å; I468-C471 VanDerWaalsContact O-N 3.12Å; I468-Q472 WeakPolarHBondContact O-CB 3.47Å; I468-Q472 PolarHBondContact O-N 3Å
469Q90.1Very high85.9Confident107 Ų10758.1 Ų58.150%0.528%0.279SS..Hα-helixtrans-60.2-47.2-179.3-170.1179.11000112.7C465 C471 Q472 D473C465-Q469 PolarHBondContact O-N 3.05Å; Q469-C471 VanDerWaalsContact C-N 3.26Å; Q469-C471 PolarHBondContact O-N 2.92Å; Q469-Q472 WeakPolarHBondContact O-CB 3.22Å; Q469-Q472 PolarHBondContact O-N 3.27Å; Q469-D473 PolarHBondContact O-N 2.99Å
470K91.4Very high86.8Confident91 Ų9153.9 Ų53.940%0.39626%0.26SS..Hα-helixtrans-58.4-35.8175.1-71.3163-158.3161.10112.4K466 N467 I468 R474K466-K470 WeakPolarHBondContact O-CB 3.36Å; K466-K470 WeakPolarHBondContact O-CD 3.4Å; K466-K470 WeakPolarHBondContact O-CG 3.35Å; K466-K470 PolarHBondContact O-N 3.33Å; N467-K470 PolarHBondContact OD1-NZ 3.49Å; I468-K470 PolarHBondContact O-N 3.43Å; K470-R474 WeakPolarHBondContact O-CD 3.42Å; K470-R474 VanDerWaalsContact O-CG 3.22Å; K470-R474 WeakPolarHBondContact O-CG 3.2Å; K470-R474 PolarHBondContact O-N 2.9Å
471C92.6Very high87.9Confident4 Ų454.3 Ų54.33%0.02725%0.253CS..Hα-helixtrans-74.2-42.2177.5-66.50000111F448 L451 N467 I468 Q469 R474 V475F448-C471 HydrophobicContact CD2-CB 3.94Å; F448-C471 HydrophobicContact CE2-CB 3.9Å; L451-C471 HydrophobicContact CB-CB 4.26Å; N467-C471 WeakPolarHBondContact O-CB 3.26Å; N467-C471 PolarHBondContact O-N 3.18Å; N467-C471 PolarHBondContact O-SG 3.2Å; I468-C471 PolarHBondContact O-N 2.89Å; I468-C471 VanDerWaalsContact O-N 3.12Å; Q469-C471 VanDerWaalsContact C-N 3.26Å; Q469-C471 PolarHBondContact O-N 2.92Å; C471-R474 PolarHBondContact O-N 3.15Å; C471-V475 WeakPolarHBondContact O-CG2 3.45Å; C471-V475 PolarHBondContact O-N 3.38Å
472Q94.2Very high89.1Confident8 Ų850.1 Ų50.14%0.03723%0.233CC..Hα-helixtrans-56.5-51.2173.5-170.1-179.141.300111.6F365 F366 V369 I468 Q469 R474 V475 I476F365-Q472 HydrophobicContact CE1-CG 4.39Å; F366-Q472 HydrophobicContact CD2-CG 4.19Å; F366-Q472 VanDerWaalsContact CD2-NE2 3.31Å; F366-Q472 HydrophobicContact CE2-CG 4.46Å; F366-Q472 PolarHBondContact O-NE2 3.18Å; V369-Q472 HydrophobicContact CB-CG 4.42Å; V369-Q472 HydrophobicContact CG1-CB 3.95Å; V369-Q472 HydrophobicContact CG1-CG 3.93Å; I468-Q472 WeakPolarHBondContact O-CB 3.47Å; I468-Q472 PolarHBondContact O-N 3Å; Q469-Q472 WeakPolarHBondContact O-CB 3.22Å; Q469-Q472 PolarHBondContact O-N 3.27Å; Q472-R474 PolarHBondContact O-N 3.2Å; Q472-V475 PolarHBondContact O-N 2.89Å; Q472-V475 VanDerWaalsContact O-N 3.09Å; Q472-I476 HydrophobicContact CG-CG1 4.34Å; Q472-I476 WeakPolarHBondContact O-CG1 3.41Å; Q472-I476 PolarHBondContact O-N 3.13Å
473D93.1Very high90.5Very high70 Ų7040.9 Ų40.937%0.37419%0.19SC..Hα-helixtrans-58.2-32.5177.5-76.5-26.7000113.2Q469 K477Q469-D473 PolarHBondContact O-N 2.99Å; D473-K477 VanDerWaalsContact O-CD 3.25Å; D473-K477 WeakPolarHBondContact O-CD 3.31Å; D473-K477 VanDerWaalsContact O-CG 3.28Å; D473-K477 WeakPolarHBondContact O-CG 3.45Å
474R92.4Very high91.3Very high99 Ų9938.2 Ų38.237%0.37418%0.176SC..Hα-helixtrans-75.8-41.1175.7-73.3173.673.6-171.93.9111.7L451 K470 C471 Q472 K478 D574L451-R474 HydrophobicContact CD1-CB 4.12Å; K470-R474 WeakPolarHBondContact O-CD 3.42Å; K470-R474 VanDerWaalsContact O-CG 3.22Å; K470-R474 WeakPolarHBondContact O-CG 3.2Å; K470-R474 PolarHBondContact O-N 2.9Å; C471-R474 PolarHBondContact O-N 3.15Å; Q472-R474 PolarHBondContact O-N 3.2Å; R474-K478 WeakPolarHBondContact O-CG 3.39Å; R474-K478 PolarHBondContact O-N 3.44Å; R474-D574 IonicContact CZ-OD2 2.78Å; R474-D574 IonicContact NH2-OD2 2.69Å; R474-D574 PolarHBondContact NH2-OD2 2.94Å
475V94.4Very high91.7Very high0 Ų039.4 Ų39.40%019%0.185CC..Hα-helixtrans-69.5-45.3179.7172.30000111L58 F365 A444 T447 F448 L451 C471 Q472 K477 K478 Y479L58-V475 HydrophobicContact CD2-CG1 4.12Å; F365-V475 HydrophobicContact CE1-CB 4.18Å; F365-V475 HydrophobicContact CE1-CG1 3.67Å; F365-V475 HydrophobicContact CE2-CG1 4.44Å; F365-V475 HydrophobicContact CZ-CB 4.11Å; F365-V475 HydrophobicContact CZ-CG1 3.58Å; A444-V475 HydrophobicContact CB-CG1 3.88Å; A444-V475 WeakPolarHBondContact O-CG1 3.43Å; T447-V475 HydrophobicContact CG2-CG2 4Å; F448-V475 HydrophobicContact CB-CG2 4.01Å; L451-V475 HydrophobicContact CD1-CG2 4.06Å; C471-V475 WeakPolarHBondContact O-CG2 3.45Å; C471-V475 PolarHBondContact O-N 3.38Å; Q472-V475 PolarHBondContact O-N 2.89Å; Q472-V475 VanDerWaalsContact O-N 3.09Å; V475-K477 VanDerWaalsContact C-N 3.32Å; V475-K477 PolarHBondContact O-N 3.34Å; V475-K478 WeakPolarHBondContact O-CB 3.43Å; V475-K478 PolarHBondContact O-N 2.88Å; V475-Y479 WeakPolarHBondContact O-CB 3.47Å; V475-Y479 PolarHBondContact O-N 2.92Å
476I95Very high92.2Very high15 Ų1539.4 Ų39.48%0.07718%0.184CC..Hα-helixtrans-55.7-45.9177.1-68.7-68.6000111.1R362 F365 F366 Q472 K478 Y479 D480R362-I476 HydrophobicContact CG-CD1 4.01Å; R362-I476 VanDerWaalsContact NH2-CG2 3.3Å; F365-I476 HydrophobicContact CD1-CD1 3.83Å; F365-I476 HydrophobicContact CE1-CD1 4.1Å; F365-I476 HydrophobicContact CE1-CG1 4.39Å; F366-I476 HydrophobicContact CB-CD1 4.4Å; F366-I476 HydrophobicContact CD2-CD1 4.37Å; F366-I476 HydrophobicContact CD2-CG1 4.43Å; Q472-I476 HydrophobicContact CG-CG1 4.34Å; Q472-I476 WeakPolarHBondContact O-CG1 3.41Å; Q472-I476 PolarHBondContact O-N 3.13Å; I476-K478 PolarHBondContact O-N 2.94Å; I476-Y479 PolarHBondContact O-N 3.44Å; I476-D480 WeakPolarHBondContact O-CB 3.46Å; I476-D480 VanDerWaalsContact O-CG 3.23Å; I476-D480 PolarHBondContact O-N 2.97Å
477K92Very high92.6Very high133 Ų13334.6 Ų34.658%0.57816%0.163SC*.Hα-helixtrans-64.6-25.2178.3-70.5168.6-169.5164.90113.9D473 V475 L570D473-K477 VanDerWaalsContact O-CD 3.25Å; D473-K477 WeakPolarHBondContact O-CD 3.31Å; D473-K477 VanDerWaalsContact O-CG 3.28Å; D473-K477 WeakPolarHBondContact O-CG 3.45Å; V475-K477 VanDerWaalsContact C-N 3.32Å; V475-K477 PolarHBondContact O-N 3.34Å; K477-L570 WeakPolarHBondContact O-CD1 3.38Å
478K92.3Very high92.8Very high15 Ų1536 Ų367%0.06517%0.168CC..Hα-helixtrans-83.7-44.9175-69.9177.5153.9-73.80111.1Q57 L58 R474 V475 I476 D480 Y481 D482 L577Q57-K478 HydrophobicContact CB-CB 3.83Å; Q57-K478 HydrophobicContact CB-CD 4.42Å; Q57-K478 HydrophobicContact CB-CG 3.9Å; Q57-K478 WeakPolarHBondContact O-CD 3.4Å; Q57-K478 WeakPolarHBondContact O-CE 3.46Å; Q57-K478 PolarHBondContact O-NZ 2.89Å; L58-K478 HydrophobicContact CD2-CB 3.64Å; L58-K478 HydrophobicContact CG-CB 4.14Å; R474-K478 WeakPolarHBondContact O-CG 3.39Å; R474-K478 PolarHBondContact O-N 3.44Å; V475-K478 WeakPolarHBondContact O-CB 3.43Å; V475-K478 PolarHBondContact O-N 2.88Å; I476-K478 PolarHBondContact O-N 2.94Å; K478-D480 VanDerWaalsContact C-N 3.35Å; K478-D480 PolarHBondContact O-N 3.38Å; K478-Y481 WeakPolarHBondContact O-CB 3.24Å; K478-Y481 PolarHBondContact O-N 3.33Å; K478-Y481 VanDerWaalsContact O-N 3.15Å; K478-D482 PolarHBondContact O-N 2.98Å; K478-L577 HydrophobicContact CD-CD2 4.19Å; K478-L577 VanDerWaalsContact CE-CD2 3.45Å
479Y94.4Very high92.9Very high4 Ų439.5 Ų39.52%0.01618%0.184CC..Hα-helixtrans-54-49171.9-179.2-81.2000111.5L58 F358 V361 R362 Q440 A444 V475 I476 Y481 D482 S483L58-Y479 HydrophobicContact CD1-CD2 4.34Å; F358-Y479 PolarHBondContact O-OH 3.38Å; V361-Y479 HydrophobicContact CG1-CE2 4.01Å; V361-Y479 WeakPolarHBondContact CG1-OH 3.45Å; R362-Y479 HydrophobicContact CB-CD1 3.95Å; R362-Y479 HydrophobicContact CB-CE1 3.56Å; R362-Y479 HydrophobicContact CG-CD1 3.92Å; R362-Y479 HydrophobicContact CG-CE1 4.04Å; Q440-Y479 HydrophobicContact CB-CD2 4.44Å; Q440-Y479 HydrophobicContact CB-CE2 3.74Å; A444-Y479 HydrophobicContact CB-CD2 4.11Å; V475-Y479 WeakPolarHBondContact O-CB 3.47Å; V475-Y479 PolarHBondContact O-N 2.92Å; I476-Y479 PolarHBondContact O-N 3.44Å; Y479-Y481 PolarHBondContact O-N 3.01Å; Y479-D482 PolarHBondContact O-N 3.25Å; Y479-S483 WeakPolarHBondContact O-CA 3.18Å; Y479-S483 WeakPolarHBondContact O-CB 3.17Å; Y479-S483 PolarHBondContact O-N 2.87Å
480D92.9Very high93.1Very high33 Ų3334.6 Ų34.618%0.17616%0.161CC..Hα-helixtrans-59.4-33.2-178.3-70.6-22.5000111.6R362 I476 K478 S484 Y564R362-D480 VanDerWaalsContact CD-OD1 3.27Å; R362-D480 WeakPolarHBondContact CD-OD1 3.48Å; R362-D480 IonicContact CZ-OD1 3.54Å; R362-D480 IonicContact CZ-OD2 2.69Å; R362-D480 IonicContact NE-OD1 2.61Å; R362-D480 PolarHBondContact NE-OD1 3.23Å; R362-D480 IonicContact NE-OD2 3.17Å; R362-D480 PolarHBondContact NE-OD2 3.28Å; R362-D480 IonicContact NH2-OD1 3.8Å; R362-D480 IonicContact NH2-OD2 2.76Å; R362-D480 PolarHBondContact NH2-OD2 3.49Å; I476-D480 WeakPolarHBondContact O-CB 3.46Å; I476-D480 VanDerWaalsContact O-CG 3.23Å; I476-D480 PolarHBondContact O-N 2.97Å; K478-D480 VanDerWaalsContact C-N 3.35Å; K478-D480 PolarHBondContact O-N 3.38Å; D480-S484 PolarHBondContact O-N 2.71Å; D480-Y564 HydrophobicContact CB-CE2 4.23Å; D480-Y564 WeakPolarHBondContact O-CE2 3.42Å
481Y90.9Very high93.3Very high40 Ų4030.2 Ų30.216%0.15714%0.142CC..Hα-helixtrans-76-51176-179.2-85.8000113.2Q57 K478 Y479 S484 T485 Y564 I568 L570Q57-Y481 HydrophobicContact CB-CD1 4.32Å; Q57-Y481 HydrophobicContact CG-CD1 3.48Å; Q57-Y481 VanDerWaalsContact CG-CD1 3.48Å; Q57-Y481 HydrophobicContact CG-CE1 3.83Å; Q57-Y481 HydrophobicContact CG-CG 4.2Å; K478-Y481 WeakPolarHBondContact O-CB 3.24Å; K478-Y481 PolarHBondContact O-N 3.33Å; K478-Y481 VanDerWaalsContact O-N 3.15Å; Y479-Y481 PolarHBondContact O-N 3.01Å; Y481-S484 PolarHBondContact O-N 2.98Å; Y481-T485 PolarHBondContact O-N 3.03Å; Y481-T485 PolarHBondContact O-OG1 3.21Å; Y481-T485 VanDerWaalsContact O-OG1 3.09Å; Y481-Y564 HydrophobicContact CD2-CD2 4.4Å; Y481-I568 WeakPolarHBondContact CE2-O 3.49Å; Y481-L570 HydrophobicContact CD2-CD1 3.9Å; Y481-L570 HydrophobicContact CD2-CG 4.13Å; Y481-L570 HydrophobicContact CG-CD1 3.79Å
482D92.6Very high93.3Very high5 Ų532 Ų323%0.02715%0.148CC..Hα-helixtrans-68.3-39.4-179.3-67.3-27.4000111.1S56 Q57 L58 Q440 K478 Y479 S484 T485 V486S56-D482 PolarHBondContact OG-OD2 3.2Å; Q57-D482 WeakPolarHBondContact CA-OD2 3.26Å; Q57-D482 WeakPolarHBondContact CB-OD2 3.36Å; Q57-D482 VanDerWaalsContact N-CG 3.32Å; Q57-D482 PolarHBondContact N-OD1 2.84Å; Q57-D482 PolarHBondContact N-OD2 3.49Å; L58-D482 WeakPolarHBondContact CG-OD2 3.35Å; L58-D482 PolarHBondContact N-OD2 3.36Å; Q440-D482 VanDerWaalsContact OE1-CB 3.31Å; K478-D482 PolarHBondContact O-N 2.98Å; Y479-D482 PolarHBondContact O-N 3.25Å; D482-S484 VanDerWaalsContact C-N 3.3Å; D482-S484 PolarHBondContact O-N 3.44Å; D482-T485 CarbonylContact O-C 3.58Å; D482-T485 WeakPolarHBondContact O-CA 3.4Å; D482-T485 WeakPolarHBondContact O-CB 3.46Å; D482-T485 PolarHBondContact O-N 3.3Å; D482-V486 WeakPolarHBondContact O-CB 3.37Å; D482-V486 WeakPolarHBondContact O-CG2 3.18Å; D482-V486 PolarHBondContact O-N 3.46Å
483S94.4Very high93.2Very high4 Ų432.2 Ų32.23%0.02815%0.149CC..Hα-helixtrans-51.5-46.8168.1169.30000111.8F358 Y479 T485 R487F358-S483 WeakPolarHBondContact CD1-OG 3.4Å; Y479-S483 WeakPolarHBondContact O-CA 3.18Å; Y479-S483 WeakPolarHBondContact O-CB 3.17Å; Y479-S483 PolarHBondContact O-N 2.87Å; S483-T485 VanDerWaalsContact C-N 3.32Å; S483-T485 PolarHBondContact O-N 3.37Å; S483-R487 WeakPolarHBondContact O-CB 3.32Å; S483-R487 VanDerWaalsContact O-CG 3.23Å; S483-R487 WeakPolarHBondContact O-CG 3.17Å; S483-R487 PolarHBondContact O-N 2.95Å; S483-R487 PolarHBondContact O-NE 3.12Å; S483-R487 VanDerWaalsContact O-NE 3.16Å; S483-R487 PolarHBondContact OG-NE 3.33Å; S483-R487 PolarHBondContact OG-NH2 3.01Å
484S92.8Very high93.1Very high0 Ų028.9 Ų28.90%013%0.131CC..Hα-helixtrans-67.6-32.4176.1-176.50000112.8D480 Y481 D482 K488 Y564D480-S484 PolarHBondContact O-N 2.71Å; Y481-S484 PolarHBondContact O-N 2.98Å; D482-S484 VanDerWaalsContact C-N 3.3Å; D482-S484 PolarHBondContact O-N 3.44Å; S484-K488 WeakPolarHBondContact O-CB 3.36Å; S484-K488 VanDerWaalsContact O-CE 3.32Å; S484-K488 WeakPolarHBondContact O-CE 3.32Å; S484-K488 VanDerWaalsContact O-CG 3.26Å; S484-K488 WeakPolarHBondContact O-CG 3.18Å; S484-K488 PolarHBondContact O-N 3.05Å; S484-K488 VanDerWaalsContact O-N 3.16Å; S484-Y564 PolarHBondContact OG-N 2.69Å
485T91.2Very high93.1Very high56 Ų5624.2 Ų24.234%0.34411%0.114SC..Hα-helixtrans-73.4-49.9179.8-59.90000111Y481 D482 S483 R487 K488 K489Y481-T485 PolarHBondContact O-N 3.03Å; Y481-T485 PolarHBondContact O-OG1 3.21Å; Y481-T485 VanDerWaalsContact O-OG1 3.09Å; D482-T485 CarbonylContact O-C 3.58Å; D482-T485 WeakPolarHBondContact O-CA 3.4Å; D482-T485 WeakPolarHBondContact O-CB 3.46Å; D482-T485 PolarHBondContact O-N 3.3Å; S483-T485 VanDerWaalsContact C-N 3.32Å; S483-T485 PolarHBondContact O-N 3.37Å; T485-R487 PolarHBondContact O-N 2.91Å; T485-K488 PolarHBondContact O-N 3.19Å; T485-K489 PolarHBondContact O-N 3.15Å
486V93.6Very high93Very high32 Ų3224.4 Ų24.419%0.19412%0.115CC..Hα-helixtrans-59.4-46.5175.6171.20000111F358 L436 Q440 D482 K488 K489 F490F358-V486 HydrophobicContact CE1-CB 4.47Å; F358-V486 HydrophobicContact CE1-CG1 4.08Å; F358-V486 HydrophobicContact CZ-CG1 3.96Å; L436-V486 HydrophobicContact CB-CG1 3.96Å; L436-V486 HydrophobicContact CD1-CG1 3.98Å; L436-V486 HydrophobicContact CD2-CG1 3.96Å; L436-V486 HydrophobicContact CG-CG1 4.18Å; Q440-V486 HydrophobicContact CG-CG2 4.42Å; D482-V486 WeakPolarHBondContact O-CB 3.37Å; D482-V486 WeakPolarHBondContact O-CG2 3.18Å; D482-V486 PolarHBondContact O-N 3.46Å; V486-K488 PolarHBondContact O-N 3.07Å; V486-K489 PolarHBondContact O-N 3.18Å; V486-F490 WeakPolarHBondContact O-CB 3.47Å; V486-F490 PolarHBondContact O-N 2.85Å
487R94.8Very high92.8Very high9 Ų925.5 Ų25.53%0.03412%0.12CC..Hα-helixtrans-61.9-43.1176.4-74.8-176.6-68.8130.23.4112.2T354 S355 F358 S483 T485 K489 F490 F491 H561 N562 L563T354-R487 HydrophobicContact CG2-CG 4.06Å; S355-R487 PolarHBondContact OG-NH1 3.05Å; F358-R487 HydrophobicContact CD1-CG 4.06Å; F358-R487 HydrophobicContact CD2-CG 3.97Å; F358-R487 HydrophobicContact CE1-CG 3.93Å; F358-R487 HydrophobicContact CE2-CG 3.88Å; F358-R487 HydrophobicContact CG-CG 4.06Å; F358-R487 HydrophobicContact CZ-CG 3.86Å; S483-R487 WeakPolarHBondContact O-CB 3.32Å; S483-R487 VanDerWaalsContact O-CG 3.23Å; S483-R487 WeakPolarHBondContact O-CG 3.17Å; S483-R487 PolarHBondContact O-N 2.95Å; S483-R487 PolarHBondContact O-NE 3.12Å; S483-R487 VanDerWaalsContact O-NE 3.16Å; S483-R487 PolarHBondContact OG-NE 3.33Å; S483-R487 PolarHBondContact OG-NH2 3.01Å; T485-R487 PolarHBondContact O-N 2.91Å; R487-K489 PolarHBondContact O-N 3.41Å; R487-F490 PolarHBondContact O-N 3.42Å; R487-F491 HydrophobicContact CB-CD2 4.47Å; R487-F491 HydrophobicContact CB-CE2 3.71Å; R487-F491 HydrophobicContact CB-CZ 3.86Å; R487-F491 HydrophobicContact CG-CZ 4.31Å; R487-F491 WeakPolarHBondContact O-CD2 3.42Å; R487-F491 WeakPolarHBondContact O-CE2 3.47Å; R487-F491 WeakPolarHBondContact O-CG 3.49Å; R487-F491 PolarHBondContact O-N 3.45Å; R487-H561 PolarHBondContact NH1-O 2.85Å; R487-N562 PolarHBondContact NH2-O 3.43Å; R487-L563 HydrophobicContact CB-CD2 4.14Å
488K93.1Very high92.7Very high30 Ų3019.4 Ų19.413%0.139%0.093CC..Hα-helixtrans-60.3-40.7173.9-76.7-177.4-58.5-174.80112.5S484 T485 V486 R492 V552 A556 L563 Y564 D566S484-K488 WeakPolarHBondContact O-CB 3.36Å; S484-K488 VanDerWaalsContact O-CE 3.32Å; S484-K488 WeakPolarHBondContact O-CE 3.32Å; S484-K488 VanDerWaalsContact O-CG 3.26Å; S484-K488 WeakPolarHBondContact O-CG 3.18Å; S484-K488 PolarHBondContact O-N 3.05Å; S484-K488 VanDerWaalsContact O-N 3.16Å; T485-K488 PolarHBondContact O-N 3.19Å; V486-K488 PolarHBondContact O-N 3.07Å; K488-R492 PolarHBondContact O-N 3.4Å; K488-V552 HydrophobicContact CB-CG1 4.08Å; K488-V552 HydrophobicContact CG-CG1 3.88Å; K488-A556 HydrophobicContact CD-CB 4.29Å; K488-L563 HydrophobicContact CG-CD2 4.24Å; K488-Y564 PolarHBondContact NZ-O 3.36Å; K488-D566 IonicContact NZ-OD1 2.85Å; K488-D566 PolarHBondContact NZ-OD1 3.11Å
489K92.5Very high92.7Very high74 Ų7418.7 Ų18.732%0.3229%0.09SC..Hα-helixtrans-63.5-51.4175.4-157.9-171.4168.3160.90110.6T485 V486 R487 F491 R492 E493 D850T485-K489 PolarHBondContact O-N 3.15Å; V486-K489 PolarHBondContact O-N 3.18Å; R487-K489 PolarHBondContact O-N 3.41Å; K489-F491 VanDerWaalsContact C-N 3.34Å; K489-F491 PolarHBondContact O-N 3.35Å; K489-R492 WeakPolarHBondContact O-CB 3.39Å; K489-R492 PolarHBondContact O-N 3.26Å; K489-R492 VanDerWaalsContact O-N 3.09Å; K489-E493 WeakPolarHBondContact CD-OE1 3.31Å; K489-E493 VanDerWaalsContact CE-OE1 3.22Å; K489-E493 WeakPolarHBondContact CE-OE1 3.38Å; K489-E493 VanDerWaalsContact CG-OE1 3.27Å; K489-E493 WeakPolarHBondContact CG-OE1 3.26Å; K489-E493 WeakPolarHBondContact O-CG 3.18Å; K489-E493 PolarHBondContact O-N 2.74Å; K489-D850 WeakPolarHBondContact CE-OD2 3.36Å; K489-D850 IonicContact NZ-OD1 3.3Å; K489-D850 PolarHBondContact NZ-OD1 3.29Å; K489-D850 IonicContact NZ-OD2 3.42Å; K489-D850 PolarHBondContact NZ-OD2 3.23Å
490F94.8Very high92.6Very high4 Ų418.7 Ų18.72%0.0189%0.09CC..Hα-helixtrans-56.5-40.3176.8171.9-107.3000113.7T354 F429 R432 A433 L436 V486 R487 E493 A494T354-F490 HydrophobicContact CG2-CD1 3.99Å; T354-F490 HydrophobicContact CG2-CE1 3.98Å; T354-F490 WeakPolarHBondContact OG1-CE1 3.47Å; F429-F490 HydrophobicContact CB-CE2 4.5Å; F429-F490 HydrophobicContact CB-CZ 4.14Å; R432-F490 HydrophobicContact CB-CE2 4.1Å; R432-F490 HydrophobicContact CG-CD2 3.92Å; R432-F490 HydrophobicContact CG-CE2 3.97Å; A433-F490 HydrophobicContact CB-CE1 4.16Å; A433-F490 HydrophobicContact CB-CE2 4.26Å; A433-F490 HydrophobicContact CB-CZ 3.83Å; L436-F490 HydrophobicContact CD1-CB 3.88Å; L436-F490 HydrophobicContact CD1-CD2 4Å; L436-F490 HydrophobicContact CD1-CG 4.13Å; V486-F490 WeakPolarHBondContact O-CB 3.47Å; V486-F490 PolarHBondContact O-N 2.85Å; R487-F490 PolarHBondContact O-N 3.42Å; F490-E493 WeakPolarHBondContact O-CB 3.43Å; F490-E493 PolarHBondContact O-N 3.24Å; F490-A494 WeakPolarHBondContact O-CB 3.35Å; F490-A494 PolarHBondContact O-N 2.91Å
491F94.8Very high92.6Very high0 Ų018 Ų180%09%0.088CC..Hα-helixtrans-68.4-37.5176.6-57.3-36.4000112.4L347 L350 M351 T354 R487 K489 L495 V552 L563L347-F491 HydrophobicContact CD1-CB 3.75Å; L347-F491 HydrophobicContact CD1-CD2 4.34Å; L347-F491 HydrophobicContact CD1-CG 4.04Å; L350-F491 HydrophobicContact CB-CD1 4.11Å; L350-F491 HydrophobicContact CB-CE1 4.39Å; M351-F491 HydrophobicContact CB-CE2 4.36Å; M351-F491 HydrophobicContact CB-CZ 4.14Å; M351-F491 HydrophobicContact CG-CD1 4.38Å; M351-F491 HydrophobicContact CG-CD2 3.84Å; M351-F491 HydrophobicContact CG-CE1 4.18Å; M351-F491 HydrophobicContact CG-CE2 3.61Å; M351-F491 HydrophobicContact CG-CG 4.26Å; M351-F491 HydrophobicContact CG-CZ 3.82Å; M351-F491 HydrophobicContact SD-CE2 4.39Å; T354-F491 HydrophobicContact CG2-CE1 3.93Å; T354-F491 HydrophobicContact CG2-CZ 4.1Å; R487-F491 HydrophobicContact CB-CD2 4.47Å; R487-F491 HydrophobicContact CB-CE2 3.71Å; R487-F491 HydrophobicContact CB-CZ 3.86Å; R487-F491 HydrophobicContact CG-CZ 4.31Å; R487-F491 WeakPolarHBondContact O-CD2 3.42Å; R487-F491 WeakPolarHBondContact O-CE2 3.47Å; R487-F491 WeakPolarHBondContact O-CG 3.49Å; R487-F491 PolarHBondContact O-N 3.45Å; K489-F491 VanDerWaalsContact C-N 3.34Å; K489-F491 PolarHBondContact O-N 3.35Å; F491-L495 VanDerWaalsContact O-CB 3.28Å; F491-L495 WeakPolarHBondContact O-CB 3.24Å; F491-L495 WeakPolarHBondContact O-CD1 3.41Å; F491-L495 WeakPolarHBondContact O-CG 3.45Å; F491-L495 PolarHBondContact O-N 3.01Å; F491-L495 VanDerWaalsContact O-N 3.07Å; F491-V552 HydrophobicContact CB-CG2 4.16Å; F491-L563 HydrophobicContact CD2-CD1 4.37Å; F491-L563 HydrophobicContact CE2-CD1 4.05Å; F491-L563 HydrophobicContact CE2-CD2 4.19Å
492R93.3Very high92.6Very high40 Ų4017.6 Ų17.615%0.1519%0.086CC..Hα-helixtrans-62.6-46.4171.9-175.8-172.5-176.7-1484.2110.7K488 K489 L496 I548 V851K488-R492 PolarHBondContact O-N 3.4Å; K489-R492 WeakPolarHBondContact O-CB 3.39Å; K489-R492 PolarHBondContact O-N 3.26Å; K489-R492 VanDerWaalsContact O-N 3.09Å; R492-L496 HydrophobicContact CG-CD1 4.12Å; R492-L496 WeakPolarHBondContact O-CB 3.49Å; R492-L496 VanDerWaalsContact O-CG 3.24Å; R492-L496 WeakPolarHBondContact O-CG 3.37Å; R492-L496 PolarHBondContact O-N 3.25Å; R492-L496 VanDerWaalsContact O-N 3.08Å; R492-I548 HydrophobicContact CG-CG2 4.17Å; R492-V851 VanDerWaalsContact CZ-CG2 3.44Å
493E91.4Very high92.7Very high13 Ų1317.3 Ų17.36%0.0619%0.085CC..Hα-helixtrans-57.2-56.9176.2-71.5166.1-161.700111.9R432 K489 F490 L495 L496 Q497 L854R432-E493 IonicContact NE-OE2 3.4Å; K489-E493 WeakPolarHBondContact CD-OE1 3.31Å; K489-E493 VanDerWaalsContact CE-OE1 3.22Å; K489-E493 WeakPolarHBondContact CE-OE1 3.38Å; K489-E493 VanDerWaalsContact CG-OE1 3.27Å; K489-E493 WeakPolarHBondContact CG-OE1 3.26Å; K489-E493 WeakPolarHBondContact O-CG 3.18Å; K489-E493 PolarHBondContact O-N 2.74Å; F490-E493 WeakPolarHBondContact O-CB 3.43Å; F490-E493 PolarHBondContact O-N 3.24Å; E493-L495 PolarHBondContact O-N 3.09Å; E493-L496 PolarHBondContact O-N 3.25Å; E493-L496 VanDerWaalsContact O-N 3.12Å; E493-Q497 WeakPolarHBondContact O-CG 3.47Å; E493-Q497 PolarHBondContact O-N 3.48Å; E493-L854 HydrophobicContact CG-CB 4.18Å; E493-L854 HydrophobicContact CG-CD1 3.72Å; E493-L854 HydrophobicContact CG-CD2 4.02Å; E493-L854 HydrophobicContact CG-CG 4.17Å
494A92.3Very high92.7Very high1 Ų117.4 Ų17.41%0.0089%0.085CC..Hα-helixtrans-63.3-40.8-176.200000112.3L350 F429 F490 L496 Q497 I498L350-A494 HydrophobicContact CD1-CB 3.74Å; L350-A494 HydrophobicContact CD2-CB 4.18Å; F429-A494 HydrophobicContact CD1-CB 3.67Å; F429-A494 HydrophobicContact CE1-CB 3.8Å; F429-A494 HydrophobicContact CG-CB 4.41Å; F490-A494 WeakPolarHBondContact O-CB 3.35Å; F490-A494 PolarHBondContact O-N 2.91Å; A494-L496 VanDerWaalsContact C-N 3.32Å; A494-L496 PolarHBondContact O-N 2.89Å; A494-Q497 PolarHBondContact O-N 2.92Å; A494-I498 VanDerWaalsContact O-CG1 3.26Å; A494-I498 WeakPolarHBondContact O-CG1 3.24Å; A494-I498 PolarHBondContact O-N 2.97Å
495L92.6Very high92.7Very high0 Ų019.8 Ų19.80%010%0.096CC..Hα-helixtrans-61.6-40.1173.7-75.2173.1000112.1L343 I346 L347 L350 F491 E493 I498 I499 I548 V552L343-L495 HydrophobicContact CD1-CD1 3.86Å; L343-L495 HydrophobicContact CD1-CD2 3.91Å; L343-L495 HydrophobicContact CD1-CG 4.42Å; I346-L495 HydrophobicContact CB-CD2 3.76Å; I346-L495 HydrophobicContact CG2-CD2 3.53Å; L347-L495 HydrophobicContact CB-CD1 4.32Å; L347-L495 HydrophobicContact CD1-CD1 4.08Å; L350-L495 HydrophobicContact CD1-CD2 4.47Å; L350-L495 HydrophobicContact CD1-CG 4.48Å; F491-L495 VanDerWaalsContact O-CB 3.28Å; F491-L495 WeakPolarHBondContact O-CB 3.24Å; F491-L495 WeakPolarHBondContact O-CD1 3.41Å; F491-L495 WeakPolarHBondContact O-CG 3.45Å; F491-L495 PolarHBondContact O-N 3.01Å; F491-L495 VanDerWaalsContact O-N 3.07Å; E493-L495 PolarHBondContact O-N 3.09Å; L495-I498 PolarHBondContact O-N 3.05Å; L495-I499 HydrophobicContact CB-CD1 4.44Å; L495-I499 HydrophobicContact CD2-CD1 4.36Å; L495-I499 VanDerWaalsContact O-CB 3.23Å; L495-I499 WeakPolarHBondContact O-CB 3.36Å; L495-I499 WeakPolarHBondContact O-CD1 3.46Å; L495-I499 WeakPolarHBondContact O-CG1 3.38Å; L495-I499 PolarHBondContact O-N 3.23Å; L495-I548 HydrophobicContact CB-CD1 4.16Å; L495-I548 HydrophobicContact CB-CG1 4.25Å; L495-I548 HydrophobicContact CB-CG2 3.99Å; L495-I548 HydrophobicContact CD1-CG2 3.93Å; L495-V552 HydrophobicContact CD1-CG2 4.18Å
496L92.2Very high92.8Very high4 Ų421.6 Ų21.62%0.02110%0.1CC..Hα-helixtrans-68.5-43.7176.6-74.4171000112.3R492 E493 A494 I498 I499 I500 L541 V544 I548 V851 L855R492-L496 HydrophobicContact CG-CD1 4.12Å; R492-L496 WeakPolarHBondContact O-CB 3.49Å; R492-L496 VanDerWaalsContact O-CG 3.24Å; R492-L496 WeakPolarHBondContact O-CG 3.37Å; R492-L496 PolarHBondContact O-N 3.25Å; R492-L496 VanDerWaalsContact O-N 3.08Å; E493-L496 PolarHBondContact O-N 3.25Å; E493-L496 VanDerWaalsContact O-N 3.12Å; A494-L496 VanDerWaalsContact C-N 3.32Å; A494-L496 PolarHBondContact O-N 2.89Å; L496-I498 PolarHBondContact O-N 3.45Å; L496-I499 PolarHBondContact O-N 3.14Å; L496-I500 HydrophobicContact CB-CG1 4.34Å; L496-I500 HydrophobicContact CD2-CD1 4.02Å; L496-I500 HydrophobicContact CD2-CG1 3.76Å; L496-I500 VanDerWaalsContact O-CB 3.3Å; L496-I500 WeakPolarHBondContact O-CB 3.34Å; L496-I500 WeakPolarHBondContact O-CG1 3.18Å; L496-I500 PolarHBondContact O-N 3.24Å; L496-L541 HydrophobicContact CD1-CD1 3.99Å; L496-L541 HydrophobicContact CD2-CD1 3.5Å; L496-L541 HydrophobicContact CG-CD1 4.37Å; L496-V544 HydrophobicContact CD2-CG1 4.4Å; L496-I548 HydrophobicContact CD2-CD1 3.51Å; L496-I548 HydrophobicContact CG-CD1 3.92Å; L496-V851 HydrophobicContact CD1-CG1 3.54Å; L496-L855 HydrophobicContact CB-CD2 4Å
497Q89.7Confident92.9Very high39 Ų3920.4 Ų20.418%0.1829%0.093CC..Hα-helixtrans-64.4-25.9176.2-70.6-176.46.700113.3T225 F429 E493 A494 P501 L854T225-Q497 HydrophobicContact CG2-CB 4.09Å; F429-Q497 HydrophobicContact CE1-CB 4.02Å; F429-Q497 HydrophobicContact CZ-CB 4.23Å; E493-Q497 WeakPolarHBondContact O-CG 3.47Å; E493-Q497 PolarHBondContact O-N 3.48Å; A494-Q497 PolarHBondContact O-N 2.92Å; Q497-P501 VanDerWaalsContact O-CD 3.26Å; Q497-P501 WeakPolarHBondContact O-CD 3.33Å; Q497-P501 WeakPolarHBondContact O-CG 3.18Å; Q497-L854 PolarHBondContact NE2-O 3.26Å
498I90.1Very high92.8Very high5 Ų520.6 Ų20.63%0.02610%0.096CC..Hα-helixtrans-80.8-47172.2-67.8167.3000111.3I346 L350 L414 F421 V423 F429 A494 L495 L496I346-I498 HydrophobicContact CG2-CD1 3.66Å; L350-I498 HydrophobicContact CD1-CD1 4.44Å; L414-I498 HydrophobicContact CD1-CD1 4.32Å; F421-I498 HydrophobicContact CB-CG2 3.99Å; F421-I498 HydrophobicContact CD1-CG2 4.1Å; F421-I498 HydrophobicContact CG-CG2 3.98Å; V423-I498 HydrophobicContact CG2-CB 4.44Å; V423-I498 HydrophobicContact CG2-CG1 4.11Å; V423-I498 HydrophobicContact CG2-CG2 4.02Å; F429-I498 HydrophobicContact CE2-CD1 3.95Å; F429-I498 HydrophobicContact CE2-CG1 3.86Å; F429-I498 HydrophobicContact CZ-CD1 4.06Å; F429-I498 HydrophobicContact CZ-CG1 3.65Å; A494-I498 VanDerWaalsContact O-CG1 3.26Å; A494-I498 WeakPolarHBondContact O-CG1 3.24Å; A494-I498 PolarHBondContact O-N 2.97Å; L495-I498 PolarHBondContact O-N 3.05Å; L496-I498 PolarHBondContact O-N 3.45Å
499I92.1Very high92.8Very high0 Ų024.3 Ų24.30%012%0.124CC..Hα-helixtrans-86-41.6-166.5-66.1167.7000112.5I339 L343 I346 F421 L495 L496 Y502 M503 V544 I548I339-I499 HydrophobicContact CD1-CG2 3.9Å; I339-I499 HydrophobicContact CG1-CG2 4.36Å; I339-I499 HydrophobicContact CG2-CD1 3.87Å; I339-I499 HydrophobicContact CG2-CG1 4.14Å; I339-I499 HydrophobicContact CG2-CG2 3.79Å; L343-I499 HydrophobicContact CD1-CD1 4.03Å; I346-I499 HydrophobicContact CD1-CD1 4.5Å; F421-I499 HydrophobicContact CE1-CG1 4.39Å; L495-I499 HydrophobicContact CB-CD1 4.44Å; L495-I499 HydrophobicContact CD2-CD1 4.36Å; L495-I499 VanDerWaalsContact O-CB 3.23Å; L495-I499 WeakPolarHBondContact O-CB 3.36Å; L495-I499 WeakPolarHBondContact O-CD1 3.46Å; L495-I499 WeakPolarHBondContact O-CG1 3.38Å; L495-I499 PolarHBondContact O-N 3.23Å; L496-I499 PolarHBondContact O-N 3.14Å; I499-Y502 PolarHBondContact O-N 3.42Å; I499-M503 HydrophobicContact CG2-CG 4.09Å; I499-M503 HydrophobicContact CG2-SD 3.87Å; I499-M503 WeakPolarHBondContact O-CG 3.46Å; I499-M503 PolarHBondContact O-N 3.4Å; I499-V544 HydrophobicContact CG2-CG1 4.34Å; I499-V544 HydrophobicContact CG2-CG2 4.12Å; I499-I548 HydrophobicContact CD1-CD1 4.02Å; I499-I548 HydrophobicContact CD1-CG1 4.3Å
500I93.2Very high92.9Very high4 Ų423.2 Ų23.22%0.02113%0.126CC..Hα-helixtrans-63.8-46.1-174.7-62.1-58.6000112.4L496 Y502 M503 L504 V540 L541 V544 L855L496-I500 HydrophobicContact CB-CG1 4.34Å; L496-I500 HydrophobicContact CD2-CD1 4.02Å; L496-I500 HydrophobicContact CD2-CG1 3.76Å; L496-I500 VanDerWaalsContact O-CB 3.3Å; L496-I500 WeakPolarHBondContact O-CB 3.34Å; L496-I500 WeakPolarHBondContact O-CG1 3.18Å; L496-I500 PolarHBondContact O-N 3.24Å; I500-Y502 VanDerWaalsContact C-N 3.3Å; I500-Y502 PolarHBondContact O-N 3.43Å; I500-M503 PolarHBondContact O-N 3.27Å; I500-M503 VanDerWaalsContact O-N 3.13Å; I500-L504 HydrophobicContact CG2-CD1 3.77Å; I500-L504 HydrophobicContact CG2-CG 4.13Å; I500-L504 VanDerWaalsContact O-CG 3.3Å; I500-L504 WeakPolarHBondContact O-CG 3.48Å; I500-L504 PolarHBondContact O-N 2.93Å; I500-V540 HydrophobicContact CD1-CG1 4.4Å; I500-L541 HydrophobicContact CD1-CB 4.46Å; I500-L541 HydrophobicContact CD1-CD1 4.37Å; I500-L541 HydrophobicContact CG1-CD1 4.44Å; I500-V544 HydrophobicContact CD1-CG1 3.39Å; I500-L855 HydrophobicContact CB-CD2 3.94Å; I500-L855 HydrophobicContact CG1-CD2 3.92Å; I500-L855 HydrophobicContact CG2-CD1 4.3Å; I500-L855 HydrophobicContact CG2-CD2 4.2Å
501P91.9Very high92.8Very high19 Ų1923 Ų2312%0.12313%0.125CC..Hα-helixtrans-63.8-36.3179.8-22.535.3000112.8Y223 G224 Q497 L504 Q505Y223-P501 WeakPolarHBondContact CD1-O 3.33Å; G224-P501 VanDerWaalsContact N-CB 3.27Å; Q497-P501 VanDerWaalsContact O-CD 3.26Å; Q497-P501 WeakPolarHBondContact O-CD 3.33Å; Q497-P501 WeakPolarHBondContact O-CG 3.18Å; P501-L504 PolarHBondContact O-N 3.37Å; P501-Q505 WeakPolarHBondContact O-CB 3.36Å; P501-Q505 PolarHBondContact O-N 2.84Å
502Y92Very high92.6Very high30 Ų3026.3 Ų26.312%0.11815%0.145CC..Hα-helixtrans-62.1-47.8171171.7-99.4000111.7L334 I339 R420 F421 I499 I500 L504 Q505 Q506L334-Y502 HydrophobicContact CD1-CE1 4.11Å; L334-Y502 HydrophobicContact CG-CE1 4.44Å; I339-Y502 HydrophobicContact CD1-CD1 4.17Å; I339-Y502 HydrophobicContact CD1-CE1 4.2Å; I339-Y502 HydrophobicContact CG1-CD1 4.23Å; I339-Y502 HydrophobicContact CG1-CE1 4.05Å; R420-Y502 WeakPolarHBondContact O-CD2 3.35Å; R420-Y502 WeakPolarHBondContact O-CE2 3.38Å; F421-Y502 AromaticContact CD1-CD1 3.95Å; F421-Y502 HydrophobicContact CD1-CD1 3.95Å; F421-Y502 HydrophobicContact CD1-CD2 4.33Å; F421-Y502 AromaticContact CD1-CG 3.78Å; F421-Y502 HydrophobicContact CD1-CG 3.78Å; F421-Y502 AromaticContact CE1-CD1 3.93Å; F421-Y502 HydrophobicContact CE1-CD1 3.93Å; F421-Y502 HydrophobicContact CE1-CE1 4.34Å; F421-Y502 HydrophobicContact CE1-CG 4.24Å; I499-Y502 PolarHBondContact O-N 3.42Å; I500-Y502 VanDerWaalsContact C-N 3.3Å; I500-Y502 PolarHBondContact O-N 3.43Å; Y502-L504 VanDerWaalsContact C-N 3.32Å; Y502-L504 PolarHBondContact O-N 2.84Å; Y502-Q505 PolarHBondContact O-N 2.97Å; Y502-Q506 HydrophobicContact CD1-CG 4.47Å; Y502-Q506 HydrophobicContact CD2-CG 4.11Å; Y502-Q506 HydrophobicContact CE1-CG 4.09Å; Y502-Q506 HydrophobicContact CE2-CG 3.71Å; Y502-Q506 HydrophobicContact CG-CG 4.48Å; Y502-Q506 WeakPolarHBondContact O-CG 3.39Å; Y502-Q506 PolarHBondContact O-N 3.44Å
503M93.7Very high92.7Very high0 Ų029 Ų290%017%0.168CC..Hα-helixtrans-59-43176.6-71.4-173.477.900112.1A331 L334 I339 I499 I500 Q506 L507 V540 S543 V544A331-M503 HydrophobicContact CB-CE 3.92Å; L334-M503 HydrophobicContact CD2-CB 4.25Å; L334-M503 HydrophobicContact CD2-CG 4.04Å; I339-M503 HydrophobicContact CD1-CE 4.36Å; I339-M503 HydrophobicContact CD1-CG 3.42Å; I339-M503 VanDerWaalsContact CD1-CG 3.42Å; I339-M503 HydrophobicContact CD1-SD 3.71Å; I499-M503 HydrophobicContact CG2-CG 4.09Å; I499-M503 HydrophobicContact CG2-SD 3.87Å; I499-M503 WeakPolarHBondContact O-CG 3.46Å; I499-M503 PolarHBondContact O-N 3.4Å; I500-M503 PolarHBondContact O-N 3.27Å; I500-M503 VanDerWaalsContact O-N 3.13Å; M503-Q506 PolarHBondContact O-N 3.38Å; M503-L507 HydrophobicContact CB-CD1 4.49Å; M503-L507 VanDerWaalsContact O-CB 3.24Å; M503-L507 WeakPolarHBondContact O-CB 3.38Å; M503-L507 WeakPolarHBondContact O-CD1 3.47Å; M503-L507 WeakPolarHBondContact O-CG 3.34Å; M503-L507 PolarHBondContact O-N 2.99Å; M503-V540 HydrophobicContact CB-CG1 3.7Å; M503-V540 HydrophobicContact CE-CG1 4.4Å; M503-V540 HydrophobicContact SD-CG1 4.4Å; M503-S543 WeakPolarHBondContact CE-OG 3.24Å; M503-V544 HydrophobicContact SD-CB 3.96Å; M503-V544 HydrophobicContact SD-CG1 3.84Å; M503-V544 HydrophobicContact SD-CG2 4.45Å
504L94Very high92.8Very high6 Ų632.3 Ų32.33%0.03118%0.183CC..Hα-helixtrans-63.6-45.3177.3-65.9172.2000111.8Y223 I500 P501 Y502 Q506 L507 A508 Y536 E537 V540Y223-L504 HydrophobicContact CD1-CB 4.18Å; Y223-L504 HydrophobicContact CE1-CB 3.9Å; I500-L504 HydrophobicContact CG2-CD1 3.77Å; I500-L504 HydrophobicContact CG2-CG 4.13Å; I500-L504 VanDerWaalsContact O-CG 3.3Å; I500-L504 WeakPolarHBondContact O-CG 3.48Å; I500-L504 PolarHBondContact O-N 2.93Å; P501-L504 PolarHBondContact O-N 3.37Å; Y502-L504 VanDerWaalsContact C-N 3.32Å; Y502-L504 PolarHBondContact O-N 2.84Å; L504-Q506 PolarHBondContact O-N 3.2Å; L504-L507 PolarHBondContact O-N 2.83Å; L504-A508 WeakPolarHBondContact O-CB 3.45Å; L504-A508 PolarHBondContact O-N 2.83Å; L504-Y536 HydrophobicContact CD2-CD1 4.2Å; L504-Y536 HydrophobicContact CD2-CE1 3.57Å; L504-E537 HydrophobicContact CD1-CG 3.83Å; L504-E537 HydrophobicContact CD2-CG 3.73Å; L504-E537 HydrophobicContact CG-CG 4.46Å; L504-V540 HydrophobicContact CD2-CB 3.99Å; L504-V540 HydrophobicContact CD2-CG1 3.99Å; L504-V540 HydrophobicContact CD2-CG2 3.94Å; L504-V540 HydrophobicContact CG-CG1 4.35Å
505Q93.6Very high92.9Very high50 Ų5032.4 Ų32.423%0.23418%0.183CC..Hα-helixtrans-58.7-44.5176.9-170.9-168.765.700112Y223 D422 P501 Y502 P509Y223-Q505 HydrophobicContact CD1-CB 3.92Å; Y223-Q505 HydrophobicContact CD2-CB 3.98Å; Y223-Q505 HydrophobicContact CD2-CG 3.87Å; Y223-Q505 HydrophobicContact CE1-CB 4.27Å; Y223-Q505 HydrophobicContact CE2-CB 4.34Å; Y223-Q505 HydrophobicContact CE2-CG 4.25Å; Y223-Q505 HydrophobicContact CG-CB 3.79Å; Y223-Q505 HydrophobicContact CG-CG 4.14Å; D422-Q505 PolarHBondContact OD2-NE2 3.37Å; P501-Q505 WeakPolarHBondContact O-CB 3.36Å; P501-Q505 PolarHBondContact O-N 2.84Å; Y502-Q505 PolarHBondContact O-N 2.97Å; Q505-P509 WeakPolarHBondContact O-CD 3.49Å
506Q93.5Very high92.9Very high93 Ų9336.4 Ų36.444%0.43521%0.209SC..Hα-helixtrans-74.8-34-179.6-62.9-57.3-48.100113.2L334 Y502 M503 L504L334-Q506 HydrophobicContact CD1-CB 4.25Å; L334-Q506 HydrophobicContact CD1-CG 4.34Å; L334-Q506 HydrophobicContact CD2-CB 3.7Å; L334-Q506 HydrophobicContact CD2-CG 4.31Å; Y502-Q506 HydrophobicContact CD1-CG 4.47Å; Y502-Q506 HydrophobicContact CD2-CG 4.11Å; Y502-Q506 HydrophobicContact CE1-CG 4.09Å; Y502-Q506 HydrophobicContact CE2-CG 3.71Å; Y502-Q506 HydrophobicContact CG-CG 4.48Å; Y502-Q506 WeakPolarHBondContact O-CG 3.39Å; Y502-Q506 PolarHBondContact O-N 3.44Å; M503-Q506 PolarHBondContact O-N 3.38Å; L504-Q506 PolarHBondContact O-N 3.2Å
507L94.8Very high93.1Very high7 Ų741.6 Ų41.64%0.03723%0.228CC..Hα-helixtrans-80.6-32.9-179.4-69.9169.9000112.8V327 K330 A331 L334 M503 L504 S510 C511 Y536 V540V327-L507 HydrophobicContact CG1-CD1 4.36Å; K330-L507 HydrophobicContact CB-CD2 3.58Å; K330-L507 HydrophobicContact CD-CD2 4.49Å; A331-L507 HydrophobicContact CB-CD1 4.02Å; L334-L507 HydrophobicContact CD2-CG 4.29Å; M503-L507 HydrophobicContact CB-CD1 4.49Å; M503-L507 VanDerWaalsContact O-CB 3.24Å; M503-L507 WeakPolarHBondContact O-CB 3.38Å; M503-L507 WeakPolarHBondContact O-CD1 3.47Å; M503-L507 WeakPolarHBondContact O-CG 3.34Å; M503-L507 PolarHBondContact O-N 2.99Å; L504-L507 PolarHBondContact O-N 2.83Å; L507-S510 PolarHBondContact O-N 2.85Å; L507-S510 PolarHBondContact O-OG 3.39Å; L507-C511 WeakPolarHBondContact O-CB 3.47Å; L507-C511 PolarHBondContact O-N 3.03Å; L507-Y536 VanDerWaalsContact CB-OH 3.24Å; L507-Y536 WeakPolarHBondContact CB-OH 3.49Å; L507-V540 HydrophobicContact CD1-CG1 4.29Å; L507-V540 HydrophobicContact CD1-CG2 3.78Å
508A93.1Very high93.3Very high13 Ų1340.2 Ų40.211%0.10722%0.222CC..Hα-helixtrans-49.2-47-173.200000114.9L504 S510 C511 T512 P513L504-A508 WeakPolarHBondContact O-CB 3.45Å; L504-A508 PolarHBondContact O-N 2.83Å; A508-S510 PolarHBondContact O-N 2.61Å; A508-C511 PolarHBondContact O-N 3.19Å; A508-C511 VanDerWaalsContact O-N 3.16Å; A508-T512 WeakPolarHBondContact CA-OG1 3.32Å; A508-T512 WeakPolarHBondContact CB-OG1 3.15Å; A508-T512 WeakPolarHBondContact O-CB 3.48Å; A508-T512 PolarHBondContact O-N 3.33Å; A508-T512 PolarHBondContact O-OG1 3.46Å; A508-P513 WeakPolarHBondContact O-CD 3.28Å
509P93.6Very high93.5Very high108 Ų10843.4 Ų43.470%0.70124%0.237SC*.Hα-helixtrans-58.5-21.5179.1-25.335.3000114.7Q505Q505-P509 WeakPolarHBondContact O-CD 3.49Å
510S93.4Very high93.5Very high52 Ų5251.7 Ų51.736%0.36428%0.275SS..Hα-helixtrans-109.3-13.2-17983.10000114.3K330 L507 A508K330-S510 WeakPolarHBondContact CD-OG 3.48Å; K330-S510 PolarHBondContact NZ-O 2.87Å; K330-S510 PolarHBondContact NZ-OG 3.33Å; L507-S510 PolarHBondContact O-N 2.85Å; L507-S510 PolarHBondContact O-OG 3.39Å; A508-S510 PolarHBondContact O-N 2.61Å
511C93.6Very high93.5Very high0 Ų054.8 Ų54.80%029%0.292CS..Hα-helixtrans-116.8-46.1-172.2-69.60000112K330 L507 A508 P513 E514 L515 Y536K330-C511 PolarHBondContact NZ-SG 3.39Å; L507-C511 WeakPolarHBondContact O-CB 3.47Å; L507-C511 PolarHBondContact O-N 3.03Å; A508-C511 PolarHBondContact O-N 3.19Å; A508-C511 VanDerWaalsContact O-N 3.16Å; C511-P513 VanDerWaalsContact C-CD 3.5Å; C511-E514 WeakPolarHBondContact O-CA 3.5Å; C511-E514 WeakPolarHBondContact O-CB 3.49Å; C511-E514 PolarHBondContact O-N 3.19Å; C511-L515 PolarHBondContact O-N 2.8Å; C511-Y536 HydrophobicContact CB-CE2 3.68Å
512T91.8Very high93.5Very high69 Ų6954.6 Ų54.642%0.42329%0.29SS..G310 helixtrans-56.3-40.8-177.5-52.70000113.8A508 E514 L515 P516A508-T512 WeakPolarHBondContact CA-OG1 3.32Å; A508-T512 WeakPolarHBondContact CB-OG1 3.15Å; A508-T512 WeakPolarHBondContact O-CB 3.48Å; A508-T512 PolarHBondContact O-N 3.33Å; A508-T512 PolarHBondContact O-OG1 3.46Å; T512-E514 PolarHBondContact O-N 2.89Å; T512-L515 PolarHBondContact O-N 2.95Å; T512-P516 WeakPolarHBondContact O-CD 3.32Å
513P94.2Very high93.5Very high97 Ų9759.4 Ų59.463%0.6331%0.311SS*.G310 helixtrans-63-22.2175.5-23.235000114.5A508 C511A508-P513 WeakPolarHBondContact O-CD 3.28Å; C511-P513 VanDerWaalsContact C-CD 3.5Å
514E94Very high93.3Very high81 Ų8167.4 Ų67.438%0.37935%0.349SS..G310 helixtrans-95.1-7.5-179.7-63.3-72.9177.200112.6L326 C511 T512 R517L326-E514 HydrophobicContact CD2-CB 3.61Å; L326-E514 HydrophobicContact CD2-CG 4.32Å; C511-E514 WeakPolarHBondContact O-CA 3.5Å; C511-E514 WeakPolarHBondContact O-CB 3.49Å; C511-E514 PolarHBondContact O-N 3.19Å; T512-E514 PolarHBondContact O-N 2.89Å; E514-R517 WeakPolarHBondContact O-CD 3.48Å; E514-R517 WeakPolarHBondContact O-CG 3.31Å; E514-R517 PolarHBondContact O-NE 2.63Å; E514-R517 WeakPolarHBondContact OE2-CD 3.5Å; E514-R517 IonicContact OE2-CZ 2.7Å; E514-R517 VanDerWaalsContact OE2-CZ 3.3Å; E514-R517 IonicContact OE2-NE 3Å; E514-R517 IonicContact OE2-NH1 2.83Å; E514-R517 PolarHBondContact OE2-NH1 2.79Å
515L93Very high92.9Very high3 Ų372.6 Ų72.62%0.01638%0.376CS..SBendtrans-67.1-45.5-179-66.9-176000113.6C511 T512 R517 F518 V532 Y536C511-L515 PolarHBondContact O-N 2.8Å; T512-L515 PolarHBondContact O-N 2.95Å; L515-R517 PolarHBondContact O-N 3.38Å; L515-F518 HydrophobicContact CD2-CD2 4.24Å; L515-F518 HydrophobicContact CD2-CE2 4.29Å; L515-F518 WeakPolarHBondContact O-CB 3.48Å; L515-F518 WeakPolarHBondContact O-CD2 3.31Å; L515-F518 PolarHBondContact O-N 2.92Å; L515-V532 HydrophobicContact CB-CG1 3.83Å; L515-V532 HydrophobicContact CD2-CG1 4.07Å; L515-V532 HydrophobicContact CG-CG1 4.37Å; L515-Y536 HydrophobicContact CD1-CD1 3.87Å; L515-Y536 HydrophobicContact CD1-CD2 4.33Å; L515-Y536 HydrophobicContact CD1-CE1 4.48Å; L515-Y536 HydrophobicContact CD1-CG 3.77Å; L515-Y536 HydrophobicContact CD2-CD2 3.91Å; L515-Y536 HydrophobicContact CD2-CG 3.98Å
516P94.5Very high92.7Very high84 Ų8470.3 Ų70.355%0.54537%0.366SS..G310 helixtrans-56.8-28-173.7-29.337000115.2T512 F518 Q519T512-P516 WeakPolarHBondContact O-CD 3.32Å; P516-F518 PolarHBondContact O-N 2.88Å; P516-Q519 VanDerWaalsContact O-CB 3.27Å; P516-Q519 WeakPolarHBondContact O-CB 3.45Å; P516-Q519 PolarHBondContact O-N 3.2Å
517R94.5Very high92.5Very high113 Ų11367.5 Ų67.543%0.42636%0.356SS..G310 helixtrans-64.5-18.8176.984-157.2178.7158.610.6113.6E514 L515E514-R517 WeakPolarHBondContact O-CD 3.48Å; E514-R517 WeakPolarHBondContact O-CG 3.31Å; E514-R517 PolarHBondContact O-NE 2.63Å; E514-R517 WeakPolarHBondContact OE2-CD 3.5Å; E514-R517 IonicContact OE2-CZ 2.7Å; E514-R517 VanDerWaalsContact OE2-CZ 3.3Å; E514-R517 IonicContact OE2-NE 3Å; E514-R517 IonicContact OE2-NH1 2.83Å; E514-R517 PolarHBondContact OE2-NH1 2.79Å; L515-R517 PolarHBondContact O-N 3.38Å
518F95.1Very high92.1Very high10 Ų1072.1 Ų72.14%0.04438%0.378CS..G310 helixtrans-85-14.3176.2-57.9-58.7000112.4V319 K322 I323 L326 L515 P516 E520 L521 V532V319-F518 HydrophobicContact CG1-CB 4.23Å; K322-F518 HydrophobicContact CB-CD1 3.92Å; K322-F518 HydrophobicContact CB-CE1 3.67Å; I323-F518 HydrophobicContact CB-CE2 4.48Å; I323-F518 HydrophobicContact CD1-CD2 4.46Å; I323-F518 HydrophobicContact CG1-CD2 3.63Å; I323-F518 HydrophobicContact CG1-CE2 3.79Å; I323-F518 HydrophobicContact CG1-CG 4.01Å; I323-F518 HydrophobicContact CG1-CZ 4.28Å; L326-F518 HydrophobicContact CB-CZ 4.32Å; L326-F518 HydrophobicContact CD2-CE2 3.92Å; L326-F518 HydrophobicContact CD2-CZ 4.06Å; L515-F518 HydrophobicContact CD2-CD2 4.24Å; L515-F518 HydrophobicContact CD2-CE2 4.29Å; L515-F518 WeakPolarHBondContact O-CB 3.48Å; L515-F518 WeakPolarHBondContact O-CD2 3.31Å; L515-F518 PolarHBondContact O-N 2.92Å; P516-F518 PolarHBondContact O-N 2.88Å; F518-E520 PolarHBondContact O-N 3.14Å; F518-L521 HydrophobicContact CD1-CD1 4.06Å; F518-L521 WeakPolarHBondContact O-CB 3.43Å; F518-L521 PolarHBondContact O-N 2.86Å; F518-L521 VanDerWaalsContact O-N 3.13Å; F518-V532 HydrophobicContact CB-CG1 4.05Å; F518-V532 HydrophobicContact CB-CG2 4.14Å; F518-V532 HydrophobicContact CD2-CG1 4.29Å
519Q93.6Very high92Very high73 Ų7371.6 Ų71.634%0.34137%0.373SS..G310 helixtrans-64.7-31174-167.865.336.900111.4P516 L521 I522 V532P516-Q519 VanDerWaalsContact O-CB 3.27Å; P516-Q519 WeakPolarHBondContact O-CB 3.45Å; P516-Q519 PolarHBondContact O-N 3.2Å; Q519-L521 PolarHBondContact O-N 3.31Å; Q519-L521 VanDerWaalsContact O-N 3.08Å; Q519-I522 PolarHBondContact O-N 2.64Å; Q519-V532 HydrophobicContact CB-CG2 4.38Å
520E92.3Very high91.9Very high173 Ų17366.5 Ų66.581%0.80834%0.34SS*.G310 helixtrans-62.6-11.2174.5-60.1-176.8-176.600113.7F518F518-E520 PolarHBondContact O-N 3.14Å
521L92.8Very high92Very high69 Ų6965 Ų6536%0.36133%0.328SS..G310 helixtrans-95.5-3.6177.6-53.1178.2000113.2V319 K322 F518 Q519V319-L521 HydrophobicContact CG2-CB 3.78Å; V319-L521 HydrophobicContact CG2-CD1 4.44Å; K322-L521 HydrophobicContact CB-CD1 4.25Å; K322-L521 HydrophobicContact CG-CD1 3.75Å; F518-L521 HydrophobicContact CD1-CD1 4.06Å; F518-L521 WeakPolarHBondContact O-CB 3.43Å; F518-L521 PolarHBondContact O-N 2.86Å; F518-L521 VanDerWaalsContact O-N 3.13Å; Q519-L521 PolarHBondContact O-N 3.31Å; Q519-L521 VanDerWaalsContact O-N 3.08Å
522I93.3Very high92.1Very high16 Ų1665 Ų658%0.08233%0.328CS..SBendtrans-107.4124.9-176.1-54.5176.7000108.4V319 Q519 L530 V532 M535V319-I522 HydrophobicContact CG2-CG1 4.05Å; Q519-I522 PolarHBondContact O-N 2.64Å; I522-L530 HydrophobicContact CD1-CB 4.31Å; I522-L530 WeakPolarHBondContact CD1-O 3.46Å; I522-L530 HydrophobicContact CG2-CB 4Å; I522-V532 HydrophobicContact CD1-CG2 3.73Å; I522-M535 HydrophobicContact CD1-CE 3.63Å
523F90.9Very high92.1Very high131 Ų13166 Ų6658%0.57533%0.327SS*.  trans-64.5141.3175.2-61.6-75.7000111.1D525 L526 S527F523-D525 VanDerWaalsContact C-N 3.32Å; F523-D525 PolarHBondContact O-N 3.32Å; F523-L526 HydrophobicContact CB-CD1 4.23Å; F523-L526 HydrophobicContact CB-CG 4.19Å; F523-L526 HydrophobicContact CD2-CD1 4.11Å; F523-L526 PolarHBondContact O-N 2.97Å; F523-S527 PolarHBondContact O-N 2.73Å; F523-S527 VanDerWaalsContact O-N 3.1Å
524E88.9Confident92.1Very high167 Ų16762 Ų6278%0.7830%0.301SS*.G310 helixtrans-54.4-45.9-173.9-169.8171.4176.600112.1L526 S527E524-L526 PolarHBondContact O-N 3.13Å; E524-L526 VanDerWaalsContact O-N 3.12Å; E524-S527 WeakPolarHBondContact O-CB 3.46Å; E524-S527 PolarHBondContact O-N 3.35Å; E524-S527 VanDerWaalsContact O-N 3.13Å; E524-S527 PolarHBondContact O-OG 2.95Å
525D87.3Confident92.2Very high115 Ų11558.1 Ų58.162%0.61528%0.283SS*.G310 helixtrans-60.5-23178.3-60.5-63.7000114.6R304 F523R304-D525 PolarHBondContact NH1-O 2.98Å; F523-D525 VanDerWaalsContact C-N 3.32Å; F523-D525 PolarHBondContact O-N 3.32Å
526L89.3Confident92.3Very high2 Ų258.5 Ų58.51%0.0128%0.284CS..G310 helixtrans-100.9-12.5-178.5-51.2-175.6000113.1M311 L312 F523 E524 H528 F529 L530M311-L526 HydrophobicContact CE-CD1 4.35Å; M311-L526 HydrophobicContact CE-CD2 4.13Å; M311-L526 HydrophobicContact CG-CD1 4.02Å; M311-L526 HydrophobicContact SD-CD1 4.48Å; L312-L526 HydrophobicContact CD2-CB 3.95Å; L312-L526 HydrophobicContact CD2-CD1 4.33Å; L312-L526 HydrophobicContact CD2-CD2 3.76Å; L312-L526 HydrophobicContact CD2-CG 4.21Å; L312-L526 HydrophobicContact CG-CD2 4.12Å; F523-L526 HydrophobicContact CB-CD1 4.23Å; F523-L526 HydrophobicContact CB-CG 4.19Å; F523-L526 HydrophobicContact CD2-CD1 4.11Å; F523-L526 PolarHBondContact O-N 2.97Å; E524-L526 PolarHBondContact O-N 3.13Å; E524-L526 VanDerWaalsContact O-N 3.12Å; L526-H528 PolarHBondContact O-N 3.42Å; L526-H528 VanDerWaalsContact O-N 3.08Å; L526-F529 PolarHBondContact O-N 2.96Å; L526-L530 HydrophobicContact CB-CD1 4.36Å; L526-L530 PolarHBondContact O-N 3.19Å; L526-L530 VanDerWaalsContact O-N 3.07Å
527S88.9Confident92.3Very high34 Ų3455.2 Ų55.224%0.23826%0.261CS..THydrogen-bonded Turntrans-62.1-17-177.268.90000114.2F523 E524 L531F523-S527 PolarHBondContact O-N 2.73Å; F523-S527 VanDerWaalsContact O-N 3.1Å; E524-S527 WeakPolarHBondContact O-CB 3.46Å; E524-S527 PolarHBondContact O-N 3.35Å; E524-S527 VanDerWaalsContact O-N 3.13Å; E524-S527 PolarHBondContact O-OG 2.95Å; S527-L531 WeakPolarHBondContact O-CD2 3.32Å
528H85.6Confident92.3Very high104 Ų10450.5 Ų50.548%0.48124%0.244SC..THydrogen-bonded Turntrans-68.6-31.6171.2-63.2-76.4000113.3A37 L526A37-H528 WeakPolarHBondContact CB-O 3.43Å; L526-H528 PolarHBondContact O-N 3.42Å; L526-H528 VanDerWaalsContact O-N 3.08Å
529F90.6Very high92.3Very high2 Ų250.1 Ų50.11%0.00924%0.243CC..THydrogen-bonded Turntrans-106.6-23.8-174.4-48.8-70000113A37 F41 L301 R304 L305 L312 L526A37-F529 HydrophobicContact CB-CD1 4.02Å; A37-F529 HydrophobicContact CB-CE1 4.34Å; F41-F529 HydrophobicContact CB-CB 4.31Å; F41-F529 HydrophobicContact CB-CD1 4.48Å; L301-F529 HydrophobicContact CB-CE1 4.26Å; L301-F529 HydrophobicContact CD2-CE1 3.98Å; L301-F529 HydrophobicContact CD2-CZ 3.91Å; R304-F529 HydrophobicContact CG-CE2 4.48Å; L305-F529 HydrophobicContact CD1-CD1 4.37Å; L305-F529 HydrophobicContact CD1-CE1 3.97Å; L305-F529 HydrophobicContact CD2-CB 4.49Å; L305-F529 HydrophobicContact CD2-CD1 3.52Å; L305-F529 HydrophobicContact CD2-CD2 4.18Å; L305-F529 HydrophobicContact CD2-CE1 3.58Å; L305-F529 HydrophobicContact CD2-CE2 4.23Å; L305-F529 HydrophobicContact CD2-CG 3.81Å; L305-F529 HydrophobicContact CD2-CZ 3.94Å; L305-F529 HydrophobicContact CG-CD1 4.1Å; L305-F529 HydrophobicContact CG-CE1 3.65Å; L305-F529 HydrophobicContact CG-CZ 3.92Å; L312-F529 HydrophobicContact CD1-CD2 4.31Å; L312-F529 HydrophobicContact CD2-CB 3.95Å; L312-F529 HydrophobicContact CD2-CD2 3.88Å; L312-F529 HydrophobicContact CD2-CG 4.31Å; L526-F529 PolarHBondContact O-N 2.96Å
530L93.4Very high92.3Very high2 Ų246.6 Ų46.61%0.0123%0.226CC..  trans-112.2102.9-177.2-58.1-175.8000109.9L312 T315 K316 I522 L526 M535L312-L530 HydrophobicContact CD2-CD1 4.1Å; L312-L530 HydrophobicContact CD2-CD2 4.34Å; L312-L530 HydrophobicContact CD2-CG 3.96Å; T315-L530 HydrophobicContact CG2-CD1 3.66Å; K316-L530 HydrophobicContact CB-CD2 3.78Å; K316-L530 HydrophobicContact CD-CD2 4.33Å; K316-L530 HydrophobicContact CG-CD2 3.93Å; I522-L530 HydrophobicContact CD1-CB 4.31Å; I522-L530 WeakPolarHBondContact CD1-O 3.46Å; I522-L530 HydrophobicContact CG2-CB 4Å; L526-L530 HydrophobicContact CB-CD1 4.36Å; L526-L530 PolarHBondContact O-N 3.19Å; L526-L530 VanDerWaalsContact O-N 3.07Å; L530-M535 HydrophobicContact CB-CE 4.21Å
531L94.6Very high92.4Very high21 Ų2138.4 Ų38.411%0.1119%0.188CC..  trans-108.2131.9178.4-55.8177.1000110.1K34 V38 S527 E533 N534 M535K34-L531 HydrophobicContact CB-CD1 3.89Å; V38-L531 HydrophobicContact CG2-CD1 3.57Å; V38-L531 HydrophobicContact CG2-CG 3.87Å; S527-L531 WeakPolarHBondContact O-CD2 3.32Å; L531-E533 VanDerWaalsContact C-N 3.28Å; L531-E533 PolarHBondContact O-N 3.03Å; L531-N534 HydrophobicContact CB-CB 4.29Å; L531-N534 PolarHBondContact O-N 3.05Å; L531-M535 WeakPolarHBondContact O-CE 3.31Å; L531-M535 PolarHBondContact O-N 2.93Å; L531-M535 VanDerWaalsContact O-N 3.08Å
532V95.4Very high92.3Very high0 Ų037.3 Ų37.30%018%0.181CC..Hα-helixtrans-63.9-35.5-177.5176.50000111.4I323 L515 F518 Q519 I522 M535 Y536I323-V532 HydrophobicContact CD1-CG1 4.09Å; L515-V532 HydrophobicContact CB-CG1 3.83Å; L515-V532 HydrophobicContact CD2-CG1 4.07Å; L515-V532 HydrophobicContact CG-CG1 4.37Å; F518-V532 HydrophobicContact CB-CG1 4.05Å; F518-V532 HydrophobicContact CB-CG2 4.14Å; F518-V532 HydrophobicContact CD2-CG1 4.29Å; Q519-V532 HydrophobicContact CB-CG2 4.38Å; I522-V532 HydrophobicContact CD1-CG2 3.73Å; V532-M535 PolarHBondContact O-N 3.45Å; V532-Y536 VanDerWaalsContact O-CB 3.27Å; V532-Y536 WeakPolarHBondContact O-CB 3.4Å; V532-Y536 PolarHBondContact O-N 3.16Å
533E92.9Very high92.3Very high88 Ų8836.8 Ų36.841%0.41118%0.179SC..Hα-helixtrans-66.4-40.9178.5-66.772.1-162.100112.2L531 Y536 E537L531-E533 VanDerWaalsContact C-N 3.28Å; L531-E533 PolarHBondContact O-N 3.03Å; E533-Y536 PolarHBondContact O-N 3.44Å; E533-E537 WeakPolarHBondContact O-CG 3.21Å; E533-E537 PolarHBondContact O-N 2.94Å; E533-E537 VanDerWaalsContact O-N 3.13Å
534N93.9Very high92.4Very high13 Ų1330.6 Ų30.67%0.0715%0.151CC..Hα-helixtrans-65.2-48.1173.2-71.170.2000110.4Q35 R215 L531 Y536 E537 E538Q35-N534 PolarHBondContact NE2-OD1 3.22Å; Q35-N534 PolarHBondContact OE1-ND2 2.96Å; Q35-N534 PolarHBondContact OE1-OD1 2.91Å; R215-N534 PolarHBondContact NE-OD1 2.91Å; R215-N534 PolarHBondContact NH2-ND2 2.92Å; R215-N534 PolarHBondContact NH2-OD1 3.4Å; L531-N534 HydrophobicContact CB-CB 4.29Å; L531-N534 PolarHBondContact O-N 3.05Å; N534-Y536 VanDerWaalsContact C-N 3.26Å; N534-Y536 PolarHBondContact O-N 2.99Å; N534-E537 PolarHBondContact O-N 3.27Å; N534-E537 VanDerWaalsContact O-N 3.14Å; N534-E538 PolarHBondContact O-N 2.93Å
535M95.2Very high92.5Very high1 Ų123.3 Ų23.31%0.00512%0.119CC..Hα-helixtrans-63.9-28.7177.5-71-175.3-78.100113.5K316 V319 I320 I323 I522 L530 L531 V532 V539K316-M535 HydrophobicContact CB-SD 4.36Å; K316-M535 HydrophobicContact CG-CG 3.99Å; K316-M535 HydrophobicContact CG-SD 3.66Å; V319-M535 HydrophobicContact CB-CE 4.06Å; V319-M535 HydrophobicContact CB-SD 3.92Å; V319-M535 HydrophobicContact CG1-CE 3.63Å; V319-M535 HydrophobicContact CG1-SD 3.95Å; I320-M535 HydrophobicContact CD1-CG 4.24Å; I320-M535 HydrophobicContact CG1-CB 3.88Å; I320-M535 HydrophobicContact CG1-CG 3.92Å; I320-M535 HydrophobicContact CG1-SD 4.09Å; I323-M535 HydrophobicContact CD1-CB 3.77Å; I522-M535 HydrophobicContact CD1-CE 3.63Å; L530-M535 HydrophobicContact CB-CE 4.21Å; L531-M535 WeakPolarHBondContact O-CE 3.31Å; L531-M535 PolarHBondContact O-N 2.93Å; L531-M535 VanDerWaalsContact O-N 3.08Å; V532-M535 PolarHBondContact O-N 3.45Å; M535-V539 WeakPolarHBondContact O-CG2 3.45Å; M535-V539 PolarHBondContact O-N 3.2Å; M535-V539 VanDerWaalsContact O-N 3.16Å
536Y95.4Very high92.7Very high11 Ų1125.1 Ų25.14%0.04312%0.121CC..Hα-helixtrans-67.1-45.2171.6165.4-111000112.2I323 V327 L504 L507 C511 L515 V532 E533 N534 V539 V540I323-Y536 HydrophobicContact CG2-CD2 4.32Å; V327-Y536 HydrophobicContact CG1-CD2 4.44Å; V327-Y536 HydrophobicContact CG1-CE2 4.02Å; V327-Y536 HydrophobicContact CG2-CD2 3.82Å; V327-Y536 HydrophobicContact CG2-CE2 3.8Å; L504-Y536 HydrophobicContact CD2-CD1 4.2Å; L504-Y536 HydrophobicContact CD2-CE1 3.57Å; L507-Y536 VanDerWaalsContact CB-OH 3.24Å; L507-Y536 WeakPolarHBondContact CB-OH 3.49Å; C511-Y536 HydrophobicContact CB-CE2 3.68Å; L515-Y536 HydrophobicContact CD1-CD1 3.87Å; L515-Y536 HydrophobicContact CD1-CD2 4.33Å; L515-Y536 HydrophobicContact CD1-CE1 4.48Å; L515-Y536 HydrophobicContact CD1-CG 3.77Å; L515-Y536 HydrophobicContact CD2-CD2 3.91Å; L515-Y536 HydrophobicContact CD2-CG 3.98Å; V532-Y536 VanDerWaalsContact O-CB 3.27Å; V532-Y536 WeakPolarHBondContact O-CB 3.4Å; V532-Y536 PolarHBondContact O-N 3.16Å; E533-Y536 PolarHBondContact O-N 3.44Å; N534-Y536 VanDerWaalsContact C-N 3.26Å; N534-Y536 PolarHBondContact O-N 2.99Å; Y536-V539 PolarHBondContact O-N 3.17Å; Y536-V540 HydrophobicContact CD2-CG2 4.46Å; Y536-V540 HydrophobicContact CE2-CG2 4Å; Y536-V540 WeakPolarHBondContact O-CG2 3.33Å; Y536-V540 PolarHBondContact O-N 3.47Å; Y536-V540 VanDerWaalsContact O-N 3.08Å
537E94.3Very high92.8Very high15 Ų1526.6 Ų26.67%0.0713%0.13CC..Hα-helixtrans-68.1-38.3177-70.3179156.900112.1R214 R215 Q218 L504 E533 N534 V539 V540 L541R214-E537 IonicContact CZ-OE1 2.99Å; R214-E537 IonicContact CZ-OE2 2.67Å; R214-E537 IonicContact NH1-OE1 2.73Å; R214-E537 PolarHBondContact NH1-OE1 3.24Å; R214-E537 IonicContact NH1-OE2 2.86Å; R214-E537 PolarHBondContact NH1-OE2 2.92Å; R214-E537 IonicContact NH2-OE1 3.24Å; R214-E537 IonicContact NH2-OE2 3.18Å; R214-E537 PolarHBondContact NH2-OE2 2.89Å; R215-E537 IonicContact CZ-OE2 2.74Å; R215-E537 IonicContact NH1-OE1 3.85Å; R215-E537 PolarHBondContact NH1-OE1 3.3Å; R215-E537 IonicContact NH1-OE2 3.59Å; R215-E537 PolarHBondContact NH1-OE2 3.42Å; R215-E537 IonicContact NH2-OE2 2.8Å; R215-E537 PolarHBondContact NH2-OE2 3.27Å; Q218-E537 PolarHBondContact NE2-OE1 3.01Å; Q218-E537 PolarHBondContact OE1-OE1 3.26Å; L504-E537 HydrophobicContact CD1-CG 3.83Å; L504-E537 HydrophobicContact CD2-CG 3.73Å; L504-E537 HydrophobicContact CG-CG 4.46Å; E533-E537 WeakPolarHBondContact O-CG 3.21Å; E533-E537 PolarHBondContact O-N 2.94Å; E533-E537 VanDerWaalsContact O-N 3.13Å; N534-E537 PolarHBondContact O-N 3.27Å; N534-E537 VanDerWaalsContact O-N 3.14Å; E537-V539 VanDerWaalsContact C-N 3.3Å; E537-V539 PolarHBondContact O-N 2.96Å; E537-V540 CarbonylContact O-C 3.57Å; E537-V540 PolarHBondContact O-N 3.26Å; E537-V540 VanDerWaalsContact O-N 3.13Å; E537-L541 WeakPolarHBondContact O-CB 3.35Å; E537-L541 PolarHBondContact O-N 3.02Å
538E93.6Very high93Very high13 Ų1325 Ų256%0.06112%0.118CC..Hα-helixtrans-58.6-41.7172.8-165.4-164.9140.100111.6K316 I320 N534 L541 Q542 L848K316-E538 WeakPolarHBondContact CE-OE2 3.27Å; K316-E538 IonicContact NZ-OE2 3.59Å; K316-E538 PolarHBondContact NZ-OE2 2.98Å; I320-E538 WeakPolarHBondContact CD1-OE1 3.27Å; I320-E538 VanDerWaalsContact CD1-OE2 3.31Å; I320-E538 WeakPolarHBondContact CD1-OE2 3.39Å; N534-E538 PolarHBondContact O-N 2.93Å; E538-L541 PolarHBondContact O-N 2.84Å; E538-Q542 WeakPolarHBondContact O-CB 3.47Å; E538-Q542 WeakPolarHBondContact O-CG 3.49Å; E538-Q542 PolarHBondContact O-N 2.9Å; E538-Q542 PolarHBondContact OE1-NE2 3.37Å; E538-L848 HydrophobicContact CG-CD2 4.36Å
539V95.3Very high93.1Very high2 Ų223.5 Ų23.51%0.01211%0.112CC..Hα-helixtrans-64.8-39.3174.6164.20000112.1I320 I323 R324 V327 M535 Y536 E537 S543I320-V539 HydrophobicContact CG2-CG2 3.86Å; I323-V539 HydrophobicContact CB-CG2 4.4Å; I323-V539 HydrophobicContact CG2-CB 4.26Å; I323-V539 HydrophobicContact CG2-CG1 4.36Å; I323-V539 HydrophobicContact CG2-CG2 4.11Å; R324-V539 HydrophobicContact CB-CG1 4.2Å; R324-V539 HydrophobicContact CB-CG2 4.2Å; R324-V539 HydrophobicContact CG-CG1 4.4Å; V327-V539 HydrophobicContact CB-CG1 3.92Å; V327-V539 HydrophobicContact CG1-CG1 3.97Å; M535-V539 WeakPolarHBondContact O-CG2 3.45Å; M535-V539 PolarHBondContact O-N 3.2Å; M535-V539 VanDerWaalsContact O-N 3.16Å; Y536-V539 PolarHBondContact O-N 3.17Å; E537-V539 VanDerWaalsContact C-N 3.3Å; E537-V539 PolarHBondContact O-N 2.96Å; V539-S543 PolarHBondContact O-N 2.98Å; V539-S543 VanDerWaalsContact O-N 3.13Å
540V94.9Very high93.2Very high0 Ų027.7 Ų27.70%013%0.133CC..Hα-helixtrans-69.3-40.4175.8174.10000110.9V327 I500 M503 L504 L507 Y536 E537 S543V327-V540 HydrophobicContact CG1-CG2 3.83Å; I500-V540 HydrophobicContact CD1-CG1 4.4Å; M503-V540 HydrophobicContact CB-CG1 3.7Å; M503-V540 HydrophobicContact CE-CG1 4.4Å; M503-V540 HydrophobicContact SD-CG1 4.4Å; L504-V540 HydrophobicContact CD2-CB 3.99Å; L504-V540 HydrophobicContact CD2-CG1 3.99Å; L504-V540 HydrophobicContact CD2-CG2 3.94Å; L504-V540 HydrophobicContact CG-CG1 4.35Å; L507-V540 HydrophobicContact CD1-CG1 4.29Å; L507-V540 HydrophobicContact CD1-CG2 3.78Å; Y536-V540 HydrophobicContact CD2-CG2 4.46Å; Y536-V540 HydrophobicContact CE2-CG2 4Å; Y536-V540 WeakPolarHBondContact O-CG2 3.33Å; Y536-V540 PolarHBondContact O-N 3.47Å; Y536-V540 VanDerWaalsContact O-N 3.08Å; E537-V540 CarbonylContact O-C 3.57Å; E537-V540 PolarHBondContact O-N 3.26Å; E537-V540 VanDerWaalsContact O-N 3.13Å; V540-S543 WeakPolarHBondContact O-CB 3.45Å; V540-S543 PolarHBondContact O-N 3.46Å; V540-S543 PolarHBondContact O-OG 3.43Å
541L93.2Very high93.1Very high1 Ų128.6 Ų28.61%0.00514%0.141CC..Hα-helixtrans-58.5-50.6173.3169.260.3000111.9L496 I500 E537 E538 S543 V544 S545 L848 V851 L855L496-L541 HydrophobicContact CD1-CD1 3.99Å; L496-L541 HydrophobicContact CD2-CD1 3.5Å; L496-L541 HydrophobicContact CG-CD1 4.37Å; I500-L541 HydrophobicContact CD1-CB 4.46Å; I500-L541 HydrophobicContact CD1-CD1 4.37Å; I500-L541 HydrophobicContact CG1-CD1 4.44Å; E537-L541 WeakPolarHBondContact O-CB 3.35Å; E537-L541 PolarHBondContact O-N 3.02Å; E538-L541 PolarHBondContact O-N 2.84Å; L541-S543 PolarHBondContact O-N 3.21Å; L541-V544 PolarHBondContact O-N 2.82Å; L541-S545 VanDerWaalsContact CD1-OG 3.3Å; L541-S545 WeakPolarHBondContact CD1-OG 3.43Å; L541-S545 WeakPolarHBondContact O-CB 3.47Å; L541-S545 PolarHBondContact O-N 3.3Å; L541-S545 PolarHBondContact O-OG 3.35Å; L541-L848 HydrophobicContact CD2-CD2 4.41Å; L541-V851 HydrophobicContact CD1-CG1 3.67Å; L541-V851 HydrophobicContact CD2-CB 4.21Å; L541-V851 HydrophobicContact CD2-CG1 3.68Å; L541-V851 HydrophobicContact CG-CG1 4.27Å; L541-L855 HydrophobicContact CD1-CD1 4.29Å; L541-L855 HydrophobicContact CD2-CD1 4.06Å
542Q92.3Very high93Very high46 Ų4628 Ų2822%0.21514%0.138CC..Hα-helixtrans-59.1-31.5176.6-73.9166.43.900112.1E538 V544 L848E538-Q542 WeakPolarHBondContact O-CB 3.47Å; E538-Q542 WeakPolarHBondContact O-CG 3.49Å; E538-Q542 PolarHBondContact O-N 2.9Å; E538-Q542 PolarHBondContact OE1-NE2 3.37Å; Q542-V544 VanDerWaalsContact C-N 3.29Å; Q542-V544 PolarHBondContact O-N 3.25Å; Q542-L848 HydrophobicContact CG-CD2 4.11Å
543S93.1Very high92.6Very high5 Ų533.4 Ų33.44%0.03516%0.162CC..Hα-helixtrans-68.1-21.5-176.879.30000115.3M328 L335 M503 V539 V540 L541M328-S543 WeakPolarHBondContact SD-CB 3.26Å; L335-S543 WeakPolarHBondContact CD2-O 3.41Å; M503-S543 WeakPolarHBondContact CE-OG 3.24Å; V539-S543 PolarHBondContact O-N 2.98Å; V539-S543 VanDerWaalsContact O-N 3.13Å; V540-S543 WeakPolarHBondContact O-CB 3.45Å; V540-S543 PolarHBondContact O-N 3.46Å; V540-S543 PolarHBondContact O-OG 3.43Å; L541-S543 PolarHBondContact O-N 3.21Å
544V92.9Very high92.5Very high0 Ų032.7 Ų32.70%016%0.161CC..Hα-helixtrans-124.8-14-179.167.80000114L335 L496 I499 I500 M503 L541 Q542 K546 D547 I548L335-V544 HydrophobicContact CD1-CB 4.45Å; L335-V544 HydrophobicContact CD1-CG2 3.63Å; L335-V544 HydrophobicContact CD2-CB 4.34Å; L335-V544 HydrophobicContact CD2-CG2 4.24Å; L496-V544 HydrophobicContact CD2-CG1 4.4Å; I499-V544 HydrophobicContact CG2-CG1 4.34Å; I499-V544 HydrophobicContact CG2-CG2 4.12Å; I500-V544 HydrophobicContact CD1-CG1 3.39Å; M503-V544 HydrophobicContact SD-CB 3.96Å; M503-V544 HydrophobicContact SD-CG1 3.84Å; M503-V544 HydrophobicContact SD-CG2 4.45Å; L541-V544 PolarHBondContact O-N 2.82Å; Q542-V544 VanDerWaalsContact C-N 3.29Å; Q542-V544 PolarHBondContact O-N 3.25Å; V544-K546 PolarHBondContact O-N 2.8Å; V544-K546 VanDerWaalsContact O-N 3.16Å; V544-D547 PolarHBondContact O-N 3.33Å; V544-I548 HydrophobicContact CG1-CD1 4.17Å; V544-I548 HydrophobicContact CG2-CD1 3.94Å; V544-I548 HydrophobicContact CG2-CG1 4.16Å; V544-I548 PolarHBondContact O-N 2.86Å; V544-I548 VanDerWaalsContact O-N 3.1Å
545S91Very high92.2Very high14 Ų1432.3 Ų32.310%0.09816%0.159CC..Hα-helixtrans-53.5-37.4177.7-72.70000113.2L541 M549L541-S545 VanDerWaalsContact CD1-OG 3.3Å; L541-S545 WeakPolarHBondContact CD1-OG 3.43Å; L541-S545 WeakPolarHBondContact O-CB 3.47Å; L541-S545 PolarHBondContact O-N 3.3Å; L541-S545 PolarHBondContact O-OG 3.35Å; S545-M549 WeakPolarHBondContact O-CB 3.41Å; S545-M549 WeakPolarHBondContact O-CE 3.24Å; S545-M549 VanDerWaalsContact O-CG 3.24Å; S545-M549 WeakPolarHBondContact O-CG 3.38Å; S545-M549 PolarHBondContact O-N 3.17Å
546K90.3Very high91.7Very high153 Ų15332.3 Ų32.367%0.66516%0.159SC*.Hα-helixtrans-62.3-50.7178.9-173.5-175.5177.4-174.80111.8V544 M549 M550V544-K546 PolarHBondContact O-N 2.8Å; V544-K546 VanDerWaalsContact O-N 3.16Å; K546-M549 PolarHBondContact O-N 3.01Å; K546-M550 WeakPolarHBondContact O-CB 3.43Å; K546-M550 PolarHBondContact O-N 3.03Å
547D91.3Very high91.1Very high34 Ų3434.5 Ų34.518%0.18217%0.173CC..Hα-helixtrans-68.2-36.9-176.8-63.5-104.3000111.8L343 V544 M550 A551L343-D547 HydrophobicContact CD2-CB 4.27Å; V544-D547 PolarHBondContact O-N 3.33Å; D547-M550 PolarHBondContact O-N 3.41Å; D547-A551 WeakPolarHBondContact O-CB 3.31Å; D547-A551 PolarHBondContact O-N 3.42Å
548I93.1Very high90.6Very high1 Ų139.1 Ų39.11%0.00520%0.195CC..Hα-helixtrans-63-48.6172.1-72.1167.3000111.2L343 R492 L495 L496 I499 V544 M550 A551 V552L343-I548 HydrophobicContact CD1-CG1 3.91Å; R492-I548 HydrophobicContact CG-CG2 4.17Å; L495-I548 HydrophobicContact CB-CD1 4.16Å; L495-I548 HydrophobicContact CB-CG1 4.25Å; L495-I548 HydrophobicContact CB-CG2 3.99Å; L495-I548 HydrophobicContact CD1-CG2 3.93Å; L496-I548 HydrophobicContact CD2-CD1 3.51Å; L496-I548 HydrophobicContact CG-CD1 3.92Å; I499-I548 HydrophobicContact CD1-CD1 4.02Å; I499-I548 HydrophobicContact CD1-CG1 4.3Å; V544-I548 HydrophobicContact CG1-CD1 4.17Å; V544-I548 HydrophobicContact CG2-CD1 3.94Å; V544-I548 HydrophobicContact CG2-CG1 4.16Å; V544-I548 PolarHBondContact O-N 2.86Å; V544-I548 VanDerWaalsContact O-N 3.1Å; I548-M550 VanDerWaalsContact C-N 3.29Å; I548-M550 PolarHBondContact O-N 3Å; I548-A551 PolarHBondContact O-N 2.95Å; I548-V552 WeakPolarHBondContact O-CG2 3.47Å; I548-V552 PolarHBondContact O-N 2.78Å; I548-V552 VanDerWaalsContact O-N 3.07Å
549M89.6Confident89.9Confident71 Ų7147.6 Ų47.635%0.3523%0.226SC..Hα-helixtrans-62.7-37.3177.2-71.6-175-58.300111.8S545 K546 K553 A846S545-M549 WeakPolarHBondContact O-CB 3.41Å; S545-M549 WeakPolarHBondContact O-CE 3.24Å; S545-M549 VanDerWaalsContact O-CG 3.24Å; S545-M549 WeakPolarHBondContact O-CG 3.38Å; S545-M549 PolarHBondContact O-N 3.17Å; K546-M549 PolarHBondContact O-N 3.01Å; M549-K553 WeakPolarHBondContact O-CB 3.16Å; M549-K553 PolarHBondContact O-N 3.19Å; M549-A846 HydrophobicContact SD-CB 3.86Å
550M91.4Very high89.1Confident90 Ų9052.2 Ų52.244%0.44324%0.244SC..Hα-helixtrans-64.9-46.6175.6-168.3169.47000111.5K546 D547 I548 V552 K553 D554K546-M550 WeakPolarHBondContact O-CB 3.43Å; K546-M550 PolarHBondContact O-N 3.03Å; D547-M550 PolarHBondContact O-N 3.41Å; I548-M550 VanDerWaalsContact C-N 3.29Å; I548-M550 PolarHBondContact O-N 3Å; M550-V552 PolarHBondContact O-N 3.14Å; M550-K553 PolarHBondContact O-N 2.93Å; M550-D554 WeakPolarHBondContact O-CB 3.48Å; M550-D554 PolarHBondContact O-N 3.44Å
551A92.2Very high88.7Confident21 Ų2155.5 Ų55.517%0.17426%0.259CS..Hα-helixtrans-61.5-43.9178.200000113.1L343 L347 D547 I548 D554 A555L343-A551 HydrophobicContact CD1-CB 4.42Å; L343-A551 HydrophobicContact CD2-CB 3.83Å; L343-A551 HydrophobicContact CG-CB 3.9Å; L347-A551 HydrophobicContact CD2-CB 4.13Å; D547-A551 WeakPolarHBondContact O-CB 3.31Å; D547-A551 PolarHBondContact O-N 3.42Å; I548-A551 PolarHBondContact O-N 2.95Å; A551-D554 PolarHBondContact O-N 3.38Å; A551-A555 PolarHBondContact O-N 2.78Å; A551-A555 VanDerWaalsContact O-N 3.08Å
552V91.1Very high88.3Confident9 Ų961.6 Ų61.66%0.05529%0.292CS..Hα-helixtrans-65.7-39.2175.7175.70000111.1L347 K488 F491 L495 I548 M550 A556L347-V552 HydrophobicContact CD1-CG2 4.02Å; L347-V552 HydrophobicContact CD2-CG2 4.22Å; K488-V552 HydrophobicContact CB-CG1 4.08Å; K488-V552 HydrophobicContact CG-CG1 3.88Å; F491-V552 HydrophobicContact CB-CG2 4.16Å; L495-V552 HydrophobicContact CD1-CG2 4.18Å; I548-V552 WeakPolarHBondContact O-CG2 3.47Å; I548-V552 PolarHBondContact O-N 2.78Å; I548-V552 VanDerWaalsContact O-N 3.07Å; M550-V552 PolarHBondContact O-N 3.14Å; V552-A556 PolarHBondContact O-N 2.84Å; V552-A556 VanDerWaalsContact O-N 3.12Å
553K88.8Confident87.6Confident114 Ų11459.5 Ų59.550%0.49628%0.282SS..Hα-helixtrans-65.8-41.3175.6-176.3168.9-176167.80112.2M549 M550 A556 V557M549-K553 WeakPolarHBondContact O-CB 3.16Å; M549-K553 PolarHBondContact O-N 3.19Å; M550-K553 PolarHBondContact O-N 2.93Å; K553-A556 CarbonylContact O-C 3.58Å; K553-A556 PolarHBondContact O-N 2.74Å; K553-V557 HydrophobicContact CG-CG2 4.45Å; K553-V557 WeakPolarHBondContact O-CB 3.3Å; K553-V557 VanDerWaalsContact O-CG2 3.31Å; K553-V557 WeakPolarHBondContact O-CG2 3.19Å; K553-V557 PolarHBondContact O-N 2.8Å
554D89.9Confident87Confident73 Ų7363.1 Ų63.139%0.3930%0.295SS..Hα-helixtrans-67.5-38.3179.3-70.8-21000111.8M550 A551 V557 Q558M550-D554 WeakPolarHBondContact O-CB 3.48Å; M550-D554 PolarHBondContact O-N 3.44Å; A551-D554 PolarHBondContact O-N 3.38Å; D554-V557 PolarHBondContact O-N 2.83Å; D554-Q558 WeakPolarHBondContact O-CB 3.36Å; D554-Q558 VanDerWaalsContact O-CG 3.29Å; D554-Q558 WeakPolarHBondContact O-CG 3.48Å; D554-Q558 PolarHBondContact O-N 3.41Å; D554-Q558 PolarHBondContact O-NE2 3.49Å
555A87.6Confident86Confident5 Ų568.4 Ų68.44%0.04132%0.315CS..Hα-helixtrans-59.5-44.4169.500000112.2L347 M351 A551 Q558 R559 R560L347-A555 HydrophobicContact CD2-CB 4.25Å; M351-A555 HydrophobicContact CE-CB 3.96Å; M351-A555 HydrophobicContact SD-CB 3.79Å; A551-A555 PolarHBondContact O-N 2.78Å; A551-A555 VanDerWaalsContact O-N 3.08Å; A555-Q558 CarbonylContact O-C 3.47Å; A555-Q558 PolarHBondContact O-N 3.27Å; A555-R559 PolarHBondContact O-N 3.17Å; A555-R559 VanDerWaalsContact O-N 3.16Å; A555-R560 HydrophobicContact CB-CB 4.39Å; A555-R560 PolarHBondContact O-N 2.83Å
556A84.7Confident85.1Confident0 Ų072 Ų720%033%0.333CS..Hα-helixtrans-69.2-32.7175.100000113.3K488 V552 K553 Q558 R559 L563 R565K488-A556 HydrophobicContact CD-CB 4.29Å; V552-A556 PolarHBondContact O-N 2.84Å; V552-A556 VanDerWaalsContact O-N 3.12Å; K553-A556 CarbonylContact O-C 3.58Å; K553-A556 PolarHBondContact O-N 2.74Å; A556-Q558 VanDerWaalsContact C-N 3.31Å; A556-Q558 PolarHBondContact O-N 3.07Å; A556-R559 PolarHBondContact O-N 3.01Å; A556-R559 VanDerWaalsContact O-N 3.12Å; A556-L563 HydrophobicContact CB-CB 3.93Å; A556-R565 WeakPolarHBondContact O-CG 3.44Å
557V83.3Confident84Confident57 Ų5769.6 Ų69.635%0.34534%0.336SS..Hα-helixtrans-63.3-39.8172165.60000110.8K553 D554 R559 R565K553-V557 HydrophobicContact CG-CG2 4.45Å; K553-V557 WeakPolarHBondContact O-CB 3.3Å; K553-V557 VanDerWaalsContact O-CG2 3.31Å; K553-V557 WeakPolarHBondContact O-CG2 3.19Å; K553-V557 PolarHBondContact O-N 2.8Å; D554-V557 PolarHBondContact O-N 2.83Å; V557-R559 PolarHBondContact O-N 2.89Å; V557-R565 HydrophobicContact CG2-CG 4.33Å; V557-R565 PolarHBondContact O-NE 2.94Å; V557-R565 VanDerWaalsContact O-NE 3.14Å; V557-R565 PolarHBondContact O-NH2 3.17Å
558Q82.6Confident83Confident112 Ų11271.3 Ų71.352%0.52334%0.344SS..THydrogen-bonded Turntrans-78.11.2174.3-67.816952.700113.9D554 A555 A556 R560D554-Q558 WeakPolarHBondContact O-CB 3.36Å; D554-Q558 VanDerWaalsContact O-CG 3.29Å; D554-Q558 WeakPolarHBondContact O-CG 3.48Å; D554-Q558 PolarHBondContact O-N 3.41Å; D554-Q558 PolarHBondContact O-NE2 3.49Å; A555-Q558 CarbonylContact O-C 3.47Å; A555-Q558 PolarHBondContact O-N 3.27Å; A556-Q558 VanDerWaalsContact C-N 3.31Å; A556-Q558 PolarHBondContact O-N 3.07Å; Q558-R560 HydrophobicContact CB-CG 4.02Å; Q558-R560 PolarHBondContact O-N 3.3Å; Q558-R560 VanDerWaalsContact O-N 3.17Å; Q558-R560 VanDerWaalsContact OE1-CZ 3.27Å
559R80.3Confident81.5Confident191 Ų19176 Ų7672%0.72137%0.373SS*.THydrogen-bonded Turntrans55.722.3-175.3-57.6-179176.5173.7-0.4114.6A555 A556 V557 H561 N562A555-R559 PolarHBondContact O-N 3.17Å; A555-R559 VanDerWaalsContact O-N 3.16Å; A556-R559 PolarHBondContact O-N 3.01Å; A556-R559 VanDerWaalsContact O-N 3.12Å; V557-R559 PolarHBondContact O-N 2.89Å; R559-H561 PolarHBondContact O-N 2.97Å; R559-N562 PolarHBondContact O-N 3.16Å
560R78.2Confident80.2Confident100 Ų10074.9 Ų74.938%0.37737%0.368SS..G310 helixtrans-54.7133.5179.8-66.9-172.4-175.8-136.6-7.6109.9E348 M351 A555 Q558 N562 L563E348-R560 VanDerWaalsContact OE1-CD 3.29Å; E348-R560 WeakPolarHBondContact OE1-CD 3.27Å; E348-R560 IonicContact OE1-CZ 3.21Å; E348-R560 IonicContact OE1-NE 3.73Å; E348-R560 IonicContact OE1-NH1 2.7Å; E348-R560 PolarHBondContact OE1-NH1 3.48Å; E348-R560 IonicContact OE2-NH1 2.72Å; E348-R560 PolarHBondContact OE2-NH1 3.45Å; M351-R560 HydrophobicContact CE-CB 4.19Å; A555-R560 HydrophobicContact CB-CB 4.39Å; A555-R560 PolarHBondContact O-N 2.83Å; Q558-R560 HydrophobicContact CB-CG 4.02Å; Q558-R560 PolarHBondContact O-N 3.3Å; Q558-R560 VanDerWaalsContact O-N 3.17Å; Q558-R560 VanDerWaalsContact OE1-CZ 3.27Å; R560-N562 VanDerWaalsContact C-N 3.25Å; R560-N562 PolarHBondContact O-N 3.07Å; R560-N562 VanDerWaalsContact O-N 3.14Å; R560-L563 WeakPolarHBondContact O-CB 3.42Å; R560-L563 WeakPolarHBondContact O-CG 3.37Å; R560-L563 PolarHBondContact O-N 2.82Å; R560-L563 VanDerWaalsContact O-N 3.13Å
561H86.2Confident78.3Confident69 Ų6976.2 Ų76.232%0.31938%0.381SS..G310 helixtrans45.642.1-179.8-54.7-79.3000115.2E348 S355 R487 R559 L563E348-H561 IonicContact OE2-NE2 3.14Å; S355-H561 WeakPolarHBondContact OG-CB 3.48Å; R487-H561 PolarHBondContact NH1-O 2.85Å; R559-H561 PolarHBondContact O-N 2.97Å; H561-L563 PolarHBondContact O-N 3.24Å
562N83.9Confident76.3Confident129 Ų12982.1 Ų82.169%0.6941%0.41SS*.G310 helixtrans54.848.5-179.9-59.9-29.1000112.7R487 R559 R560R487-N562 PolarHBondContact NH2-O 3.43Å; R559-N562 PolarHBondContact O-N 3.16Å; R560-N562 VanDerWaalsContact C-N 3.25Å; R560-N562 PolarHBondContact O-N 3.07Å; R560-N562 VanDerWaalsContact O-N 3.14Å
563L79.2Confident74.5Confident1 Ų184 Ų841%0.00542%0.424CS..PPolyproline II helixtrans-93.7133.8167.3-67.4178.2000111.1M351 R487 K488 F491 A556 R560 H561M351-L563 HydrophobicContact SD-CD1 3.7Å; R487-L563 HydrophobicContact CB-CD2 4.14Å; K488-L563 HydrophobicContact CG-CD2 4.24Å; F491-L563 HydrophobicContact CD2-CD1 4.37Å; F491-L563 HydrophobicContact CE2-CD1 4.05Å; F491-L563 HydrophobicContact CE2-CD2 4.19Å; A556-L563 HydrophobicContact CB-CB 3.93Å; R560-L563 WeakPolarHBondContact O-CB 3.42Å; R560-L563 WeakPolarHBondContact O-CG 3.37Å; R560-L563 PolarHBondContact O-N 2.82Å; R560-L563 VanDerWaalsContact O-N 3.13Å; H561-L563 PolarHBondContact O-N 3.24Å
564Y78.7Confident73.3Confident82 Ų8280.8 Ų80.832%0.32241%0.411SS..PPolyproline II helixtrans-91.1136.2178.1-67-29.3000112.2D480 Y481 S484 K488 I568D480-Y564 HydrophobicContact CB-CE2 4.23Å; D480-Y564 WeakPolarHBondContact O-CE2 3.42Å; Y481-Y564 HydrophobicContact CD2-CD2 4.4Å; S484-Y564 PolarHBondContact OG-N 2.69Å; K488-Y564 PolarHBondContact NZ-O 3.36Å; Y564-I568 HydrophobicContact CD1-CD1 4.07Å; Y564-I568 HydrophobicContact CG-CD1 4.15Å
565R73.4Confident71.8Confident111 Ų11181.9 Ų81.942%0.41942%0.423SS..PPolyproline II helixtrans-59.9143.1169.8-63.2-179.1-177.4-174.1-2.9110.3A556 V557 S567 I568A556-R565 WeakPolarHBondContact O-CG 3.44Å; V557-R565 HydrophobicContact CG2-CG 4.33Å; V557-R565 PolarHBondContact O-NE 2.94Å; V557-R565 VanDerWaalsContact O-NE 3.14Å; V557-R565 PolarHBondContact O-NH2 3.17Å; R565-S567 PolarHBondContact O-N 2.79Å; R565-I568 HydrophobicContact CB-CD1 4.49Å; R565-I568 WeakPolarHBondContact O-CB 3.5Å; R565-I568 PolarHBondContact O-N 3.3Å
566D71.4Confident70.8Confident89 Ų8985.8 Ų85.848%0.47644%0.443SS..THydrogen-bonded Turntrans-64.9-13.9-178.7-39.2-54.9000113.4K488 I568K488-D566 IonicContact NZ-OD1 2.85Å; K488-D566 PolarHBondContact NZ-OD1 3.11Å; D566-I568 VanDerWaalsContact C-N 3.29Å
567S68.3Low70.2Confident102 Ų10286.2 Ų86.271%0.71345%0.445SS*.THydrogen-bonded Turntrans-78.3-7.8172.565.20000114.1R565R565-S567 PolarHBondContact O-N 2.79Å
568I69.9Low69.6Low70 Ų7087.7 Ų87.736%0.35945%0.448SS..  trans-83.1116.9174.4-65.2172.9000107.2Y481 Y564 R565 D566Y481-I568 WeakPolarHBondContact CE2-O 3.49Å; Y564-I568 HydrophobicContact CD1-CD1 4.07Å; Y564-I568 HydrophobicContact CG-CD1 4.15Å; R565-I568 HydrophobicContact CB-CD1 4.49Å; R565-I568 WeakPolarHBondContact O-CB 3.5Å; R565-I568 PolarHBondContact O-N 3.3Å; D566-I568 VanDerWaalsContact C-N 3.29Å
569V61.9Low69.2Low100 Ų10087 Ų8761%0.60645%0.447SS*.  trans-120.9124.5173179.50000108.2T571V569-T571 VanDerWaalsContact C-N 3.29Å; V569-T571 HydrophobicContact CG1-CG2 4.45Å; V569-T571 PolarHBondContact O-N 3.2Å
570L61.9Low68.9Low48 Ų4878.5 Ų78.525%0.25142%0.416SS..  trans-75.382.4173.4-83.9171.2000110.5Q57 K477 Y481 N572 S573Q57-L570 HydrophobicContact CG-CD1 4.38Å; K477-L570 WeakPolarHBondContact O-CD1 3.38Å; Y481-L570 HydrophobicContact CD2-CD1 3.9Å; Y481-L570 HydrophobicContact CD2-CG 4.13Å; Y481-L570 HydrophobicContact CG-CD1 3.79Å; L570-N572 PolarHBondContact O-N 2.95Å; L570-N572 VanDerWaalsContact O-N 3.11Å; L570-S573 PolarHBondContact O-N 3.42Å; L570-S573 VanDerWaalsContact O-N 3.13Å; L570-S573 PolarHBondContact O-OG 3.36Å
571T50Low68.7Low117 Ų11776.5 Ų76.572%0.71841%0.411SS*.THydrogen-bonded Turntrans-62.3-11.617452.40000114.1V569 S573V569-T571 VanDerWaalsContact C-N 3.29Å; V569-T571 HydrophobicContact CG1-CG2 4.45Å; V569-T571 PolarHBondContact O-N 3.2Å; T571-S573 VanDerWaalsContact C-N 3.28Å
572N50.3Low68Low146 Ų14680.8 Ų80.878%0.78143%0.431SS*.THydrogen-bonded Turntrans-90.120173.7-64.4-42.8000113.1L570 D574L570-N572 PolarHBondContact O-N 2.95Å; L570-N572 VanDerWaalsContact O-N 3.11Å; N572-D574 PolarHBondContact O-N 3.08Å
573S54.1Low67.3Low49 Ų4977.1 Ų77.134%0.34341%0.414SS..  trans-61.1121.8167.5480000109.6L570 T571 P575L570-S573 PolarHBondContact O-N 3.42Å; L570-S573 VanDerWaalsContact O-N 3.13Å; L570-S573 PolarHBondContact O-OG 3.36Å; T571-S573 VanDerWaalsContact C-N 3.28Å; S573-P575 WeakPolarHBondContact O-CD 3.5Å; S573-P575 VanDerWaalsContact O-N 3.13Å
574D62.4Low66.9Low45 Ų4582.1 Ų82.124%0.24145%0.446CS..  trans-61.8112.4176.7178.6-23.9000108.5R474 N572 N576 L577R474-D574 IonicContact CZ-OD2 2.78Å; R474-D574 IonicContact NH2-OD2 2.69Å; R474-D574 PolarHBondContact NH2-OD2 2.94Å; N572-D574 PolarHBondContact O-N 3.08Å; D574-N576 PolarHBondContact O-N 3.25Å; D574-N576 PolarHBondContact OD1-N 3.03Å; D574-L577 HydrophobicContact CB-CB 4.11Å; D574-L577 VanDerWaalsContact O-CB 3.23Å; D574-L577 WeakPolarHBondContact O-CB 3.1Å; D574-L577 PolarHBondContact O-N 3.07Å
575P59.3Low66.6Low96 Ų9681.8 Ų81.862%0.62346%0.456SS*.THydrogen-bonded Turntrans-62.6-21.3-167.1-2635.8000113.6S573 H578S573-P575 WeakPolarHBondContact O-CD 3.5Å; S573-P575 VanDerWaalsContact O-N 3.13Å; P575-H578 PolarHBondContact O-CE1 2.86Å; P575-H578 PolarHBondContact O-ND1 3.14Å
576N67.4Low66.9Low88 Ų8877.3 Ų77.347%0.47144%0.441SS..THydrogen-bonded Turntrans-104.618.8-178.9-58.6-70.4000112.2R454 D574 L579R454-N576 PolarHBondContact NH1-O 2.67Å; R454-N576 PolarHBondContact NH2-O 2.84Å; R454-N576 VanDerWaalsContact NH2-O 3.08Å; D574-N576 PolarHBondContact O-N 3.25Å; D574-N576 PolarHBondContact OD1-N 3.03Å; N576-L579 HydrophobicContact CB-CD1 4.14Å
577L72.3Confident67.2Low9 Ų977.8 Ų77.85%0.04744%0.444CS..SBendtrans-73.9-48.7176.6-171.460.5000111.5L59 L451 K478 D574 L579 L580L59-L577 HydrophobicContact CD1-CD1 3.94Å; L59-L577 HydrophobicContact CD1-CG 4.4Å; L59-L577 HydrophobicContact CD2-CD1 4.46Å; L59-L577 HydrophobicContact CD2-CG 4.04Å; L59-L577 WeakPolarHBondContact CD2-O 3.48Å; L59-L577 HydrophobicContact CG-CD1 4.23Å; L59-L577 HydrophobicContact CG-CG 4.17Å; L451-L577 HydrophobicContact CD2-CD1 3.82Å; L451-L577 HydrophobicContact CG-CD1 4.41Å; K478-L577 HydrophobicContact CD-CD2 4.19Å; K478-L577 VanDerWaalsContact CE-CD2 3.45Å; D574-L577 HydrophobicContact CB-CB 4.11Å; D574-L577 VanDerWaalsContact O-CB 3.23Å; D574-L577 WeakPolarHBondContact O-CB 3.1Å; D574-L577 PolarHBondContact O-N 3.07Å; L577-L579 PolarHBondContact O-N 2.89Å; L577-L580 HydrophobicContact CD1-CD1 3.99Å; L577-L580 VanDerWaalsContact O-CB 3.28Å; L577-L580 WeakPolarHBondContact O-CB 3.41Å; L577-L580 PolarHBondContact O-N 3.31Å
578H69.4Low67.8Low87 Ų8773 Ų7340%0.40341%0.41SS..G310 helixtrans-54.9-27.617970.2-88.2000113.3P575 L580 E581P575-H578 PolarHBondContact O-CE1 2.86Å; P575-H578 PolarHBondContact O-ND1 3.14Å; H578-L580 PolarHBondContact O-N 3.31Å; H578-E581 VanDerWaalsContact O-CB 3.27Å; H578-E581 WeakPolarHBondContact O-CB 3.44Å; H578-E581 PolarHBondContact O-N 3.38Å
579L75Confident67.9Low97 Ų9771.6 Ų71.651%0.50841%0.413SS..G310 helixtrans-65.8-2.1172.5-57.2177.6000114.4N576 L577N576-L579 HydrophobicContact CB-CD1 4.14Å; L577-L579 PolarHBondContact O-N 2.89Å
580L74.2Confident68.5Low13 Ų1370.8 Ų70.87%0.06842%0.417CS..G310 helixtrans-99.3-11.5170.6-67.1171.7000113.4L59 Q450 R454 L577 H578 E582 T583L59-L580 HydrophobicContact CD1-CB 3.63Å; L59-L580 HydrophobicContact CD1-CD1 4.25Å; L59-L580 HydrophobicContact CD2-CB 4.4Å; Q450-L580 HydrophobicContact CB-CB 4.33Å; Q450-L580 HydrophobicContact CB-CD1 3.63Å; Q450-L580 HydrophobicContact CB-CG 4.39Å; Q450-L580 HydrophobicContact CG-CB 4.38Å; R454-L580 VanDerWaalsContact CZ-CD1 3.41Å; R454-L580 VanDerWaalsContact CZ-CG 3.47Å; R454-L580 VanDerWaalsContact NH2-CG 3.34Å; L577-L580 HydrophobicContact CD1-CD1 3.99Å; L577-L580 VanDerWaalsContact O-CB 3.28Å; L577-L580 WeakPolarHBondContact O-CB 3.41Å; L577-L580 PolarHBondContact O-N 3.31Å; H578-L580 PolarHBondContact O-N 3.31Å; L580-E582 PolarHBondContact O-N 3.4Å; L580-E582 VanDerWaalsContact O-N 3.14Å; L580-T583 WeakPolarHBondContact CA-OG1 3.28Å; L580-T583 HydrophobicContact CD2-CG2 4.02Å; L580-T583 PolarHBondContact O-N 2.98Å; L580-T583 PolarHBondContact O-OG1 3.22Å
581E73.8Confident68.9Low58 Ų5871.9 Ų71.927%0.27142%0.42SS..THydrogen-bonded Turntrans-66.9-16-179.6-160.9162.4-151.600112.5L59 H60 K62 H578L59-E581 HydrophobicContact CD2-CB 4.08Å; H60-E581 IonicContact CE1-OE1 2.75Å; H60-E581 IonicContact CG-OE1 2.75Å; H60-E581 IonicContact ND1-OE1 2.71Å; H60-E581 PolarHBondContact ND1-OE1 2.77Å; K62-E581 WeakPolarHBondContact CE-O 3.2Å; H578-E581 VanDerWaalsContact O-CB 3.27Å; H578-E581 WeakPolarHBondContact O-CB 3.44Å; H578-E581 PolarHBondContact O-N 3.38Å
582E70.4Confident70Confident159 Ų15967 Ų6774%0.74339%0.388SS*.THydrogen-bonded Turntrans-100.5-4.1171.8-54.7-136.3105.300114.2K62 L580K62-E582 IonicContact NZ-OE1 3.12Å; K62-E582 PolarHBondContact NZ-OE1 3.1Å; L580-E582 PolarHBondContact O-N 3.4Å; L580-E582 VanDerWaalsContact O-N 3.14Å
583T69.8Low70.2Confident52 Ų5262.2 Ų62.232%0.31937%0.374SS..SBendtrans-81.6139.7175.752.70000110.5Q450 L580Q450-T583 PolarHBondContact NE2-OG1 3.42Å; L580-T583 WeakPolarHBondContact CA-OG1 3.28Å; L580-T583 HydrophobicContact CD2-CG2 4.02Å; L580-T583 PolarHBondContact O-N 2.98Å; L580-T583 PolarHBondContact O-OG1 3.22Å
584P71.3Confident69.8Low107 Ų10764.3 Ų64.370%0.69539%0.388SS*.PPolyproline II helixtrans-63.9165.6177.728.6-35.6000111.6Q450Q450-P584 PolarHBondContact NE2-O 3.12Å; Q450-P584 VanDerWaalsContact NE2-O 3.07Å
585S72.5Confident68.8Low74 Ų7469.9 Ų69.952%0.51742%0.418SS..PPolyproline II helixtrans-54.9150.1167.743.80000111.2D587S585-D587 PolarHBondContact O-N 3.26Å
586V78.5Confident67.8Low17 Ų1768.9 Ų68.910%0.10343%0.426CS..PPolyproline II helixtrans-76.9120.5177-177.30000109.3E449 Q450 H453 W588 K591E449-V586 HydrophobicContact CB-CG2 4.38Å; Q450-V586 VanDerWaalsContact OE1-CG2 3.22Å; H453-V586 HydrophobicContact CB-CG2 3.99Å; V586-W588 HydrophobicContact CB-CD2 4.06Å; V586-W588 HydrophobicContact CB-CG 4.44Å; V586-W588 HydrophobicContact CB-CH2 4.47Å; V586-W588 HydrophobicContact CB-CZ2 3.82Å; V586-W588 HydrophobicContact CG1-CD2 3.45Å; V586-W588 VanDerWaalsContact CG1-CD2 3.45Å; V586-W588 VanDerWaalsContact CG1-CE2 3.48Å; V586-W588 HydrophobicContact CG1-CE3 3.65Å; V586-W588 HydrophobicContact CG1-CG 3.99Å; V586-W588 HydrophobicContact CG1-CH2 3.97Å; V586-W588 HydrophobicContact CG1-CZ2 3.75Å; V586-W588 HydrophobicContact CG1-CZ3 3.93Å; V586-W588 HydrophobicContact CG2-CH2 4.43Å; V586-W588 HydrophobicContact CG2-CZ2 3.93Å; V586-W588 PolarHBondContact O-N 3.04Å; V586-W588 VanDerWaalsContact O-N 3.1Å; V586-K591 HydrophobicContact CG1-CD 4.49Å
587D79Confident66Low100 Ų10067.8 Ų67.854%0.53544%0.435SS..  trans-73.993.5163.4-175.6-15.8000108.8S585 G589 A590 K591S585-D587 PolarHBondContact O-N 3.26Å; D587-G589 VanDerWaalsContact C-N 3.3Å; D587-G589 PolarHBondContact OD1-N 3.34Å; D587-A590 HydrophobicContact CB-CB 4.24Å; D587-A590 VanDerWaalsContact CG-CB 3.41Å; D587-A590 WeakPolarHBondContact OD1-CB 3.16Å; D587-A590 PolarHBondContact OD1-N 3.25Å; D587-A590 VanDerWaalsContact OD2-CB 3.28Å; D587-A590 WeakPolarHBondContact OD2-CB 3.36Å; D587-K591 WeakPolarHBondContact O-CB 3.4Å; D587-K591 PolarHBondContact O-N 2.96Å
588W80.9Confident64.3Low0 Ų077.2 Ų77.20%048%0.478CS..Hα-helixtrans-72.8-27.3178.9-63.6108.5000111.9L389 E449 L452 H453 L456 V586 K591 F592L389-W588 HydrophobicContact CB-CB 4.26Å; L389-W588 HydrophobicContact CB-CD2 3.81Å; L389-W588 HydrophobicContact CB-CG 3.65Å; L389-W588 HydrophobicContact CD1-CD2 3.71Å; L389-W588 HydrophobicContact CD1-CE3 3.59Å; L389-W588 HydrophobicContact CD1-CG 4.35Å; L389-W588 HydrophobicContact CD1-CH2 4.08Å; L389-W588 HydrophobicContact CD1-CZ2 4.2Å; L389-W588 HydrophobicContact CD1-CZ3 3.77Å; L389-W588 HydrophobicContact CG-CD2 4.37Å; E449-W588 HydrophobicContact CB-CZ2 4.13Å; E449-W588 HydrophobicContact CG-CZ2 4.21Å; L452-W588 HydrophobicContact CB-CH2 4.46Å; L452-W588 HydrophobicContact CD2-CH2 4.17Å; L452-W588 HydrophobicContact CG-CH2 4.26Å; H453-W588 HydrophobicContact CB-CH2 4.41Å; L456-W588 HydrophobicContact CD1-CZ3 4.22Å; V586-W588 HydrophobicContact CB-CD2 4.06Å; V586-W588 HydrophobicContact CB-CG 4.44Å; V586-W588 HydrophobicContact CB-CH2 4.47Å; V586-W588 HydrophobicContact CB-CZ2 3.82Å; V586-W588 HydrophobicContact CG1-CD2 3.45Å; V586-W588 VanDerWaalsContact CG1-CD2 3.45Å; V586-W588 VanDerWaalsContact CG1-CE2 3.48Å; V586-W588 HydrophobicContact CG1-CE3 3.65Å; V586-W588 HydrophobicContact CG1-CG 3.99Å; V586-W588 HydrophobicContact CG1-CH2 3.97Å; V586-W588 HydrophobicContact CG1-CZ2 3.75Å; V586-W588 HydrophobicContact CG1-CZ3 3.93Å; V586-W588 HydrophobicContact CG2-CH2 4.43Å; V586-W588 HydrophobicContact CG2-CZ2 3.93Å; V586-W588 PolarHBondContact O-N 3.04Å; V586-W588 VanDerWaalsContact O-N 3.1Å; W588-K591 HydrophobicContact CE3-CD 4.09Å; W588-K591 HydrophobicContact CZ3-CD 4.03Å; W588-K591 PolarHBondContact O-N 2.8Å; W588-F592 HydrophobicContact CE3-CD2 4.03Å; W588-F592 AromaticContact CE3-CE2 3.57Å; W588-F592 HydrophobicContact CE3-CE2 3.57Å; W588-F592 AromaticContact CZ3-CE2 3.89Å; W588-F592 HydrophobicContact CZ3-CE2 3.89Å; W588-F592 PolarHBondContact O-N 3.12Å
589G71.5Confident62.7Low42 Ų4277.1 Ų77.143%0.43350%0.501SS..Hα-helixtrans-61.4-52.7174.100000112.1D587 K591 F592 G593D587-G589 VanDerWaalsContact C-N 3.3Å; D587-G589 PolarHBondContact OD1-N 3.34Å; G589-K591 VanDerWaalsContact C-N 3.25Å; G589-K591 PolarHBondContact O-N 2.88Å; G589-F592 PolarHBondContact O-N 2.67Å; G589-G593 WeakPolarHBondContact O-CA 3.32Å; G589-G593 PolarHBondContact O-N 2.86Å
590A74.3Confident60.4Low83 Ų8376 Ų7669%0.68651%0.514SS*.Hα-helixtrans-68.3-22.317600000113.4D587D587-A590 HydrophobicContact CB-CB 4.24Å; D587-A590 VanDerWaalsContact CG-CB 3.41Å; D587-A590 WeakPolarHBondContact OD1-CB 3.16Å; D587-A590 PolarHBondContact OD1-N 3.25Å; D587-A590 VanDerWaalsContact OD2-CB 3.28Å; D587-A590 WeakPolarHBondContact OD2-CB 3.36Å
591K71Confident58.7Low71 Ų7184 Ų8431%0.30955%0.55SS.*Hα-helixtrans-81.6-32.2178.4-172.3166.4-175.61700113.8H453 V586 D587 W588 G589H453-K591 PolarHBondContact CD2-NZ 3.44Å; H453-K591 PolarHBondContact NE2-NZ 3.15Å; V586-K591 HydrophobicContact CG1-CD 4.49Å; D587-K591 WeakPolarHBondContact O-CB 3.4Å; D587-K591 PolarHBondContact O-N 2.96Å; W588-K591 HydrophobicContact CE3-CD 4.09Å; W588-K591 HydrophobicContact CZ3-CD 4.03Å; W588-K591 PolarHBondContact O-N 2.8Å; G589-K591 VanDerWaalsContact C-N 3.25Å; G589-K591 PolarHBondContact O-N 2.88Å
592F72.2Confident56.5Low13 Ų1390.1 Ų90.16%0.05758%0.579CS.*Hα-helixtrans-121.7-12.3-172.9-71.5-54.9000115.7K382 L385 L389 L456 W588 G589K382-F592 HydrophobicContact CB-CB 4.28Å; K382-F592 HydrophobicContact CB-CD1 4.05Å; K382-F592 HydrophobicContact CD-CD1 4.21Å; K382-F592 HydrophobicContact CG-CD1 4.39Å; K382-F592 WeakPolarHBondContact O-CB 3.44Å; L385-F592 HydrophobicContact CD2-CE1 4.3Å; L385-F592 HydrophobicContact CD2-CE2 3.92Å; L385-F592 HydrophobicContact CD2-CZ 3.75Å; L385-F592 HydrophobicContact CG-CE2 4.23Å; L389-F592 HydrophobicContact CD1-CE2 4.04Å; L456-F592 HydrophobicContact CD1-CZ 4.13Å; W588-F592 HydrophobicContact CE3-CD2 4.03Å; W588-F592 AromaticContact CE3-CE2 3.57Å; W588-F592 HydrophobicContact CE3-CE2 3.57Å; W588-F592 AromaticContact CZ3-CE2 3.89Å; W588-F592 HydrophobicContact CZ3-CE2 3.89Å; W588-F592 PolarHBondContact O-N 3.12Å; G589-F592 PolarHBondContact O-N 2.67Å
593G55.7Low54.5Low47 Ų4791.4 Ų91.449%0.48558%0.582SS.*  trans-66.9136.8-178.800000114G589 D595G589-G593 WeakPolarHBondContact O-CA 3.32Å; G589-G593 PolarHBondContact O-N 2.86Å; G593-D595 PolarHBondContact O-N 3.48Å
594S45.2Very low52.5Low92 Ų9292 Ų9264%0.64360%0.599SS**  trans-69.5110.6-179.7-172.70000113.6D383 G596D383-S594 VanDerWaalsContact OD1-CB 3.3Å; D383-S594 WeakPolarHBondContact OD1-CB 3.43Å; D383-S594 PolarHBondContact OD1-N 2.96Å; S594-G596 PolarHBondContact O-N 2.99Å
595D42Very low50.3Low163 Ų16397.1 Ų97.187%0.87261%0.61SS**  trans-72.978.4166.6-172.121.9000110.3G593 G597G593-D595 PolarHBondContact O-N 3.48Å; D595-G597 PolarHBondContact O-N 3.48Å
596G36.7Very low48.3Very low75 Ų75105.3 Ų105.377%0.77363%0.63SS**  trans-77.868.6-168.100000115.4S594S594-G596 PolarHBondContact O-N 2.99Å
597G31.1Very low45.8Very low64 Ų64108.4 Ų108.466%0.6667%0.665SS**  trans-165.4110.9173.400000116.4D595 G599D595-G597 PolarHBondContact O-N 3.48Å; G597-G599 PolarHBondContact O-N 3.4Å
598E35.6Very low43.4Very low207 Ų207115 Ų11597%0.96768%0.683SS**  trans-69.1128.1169.3-70.5-170.3115.900112.3
599G36.5Very low41Very low85 Ų85127 Ų12788%0.87673%0.728SS**  trans85.466.7146.200000118.8G597G597-G599 PolarHBondContact O-N 3.4Å
600G27Very low38.9Very low75 Ų75134.7 Ų134.777%0.77375%0.749SS**  trans-125141.5163.100000112.8E602G600-E602 PolarHBondContact O-N 2.85Å
601E37Very low36.5Very low179 Ų179139.4 Ų139.484%0.83676%0.757SS**  trans-78.1101.7179.6-70.9-164.7142.200113.2
602E27.5Very low34.3Very low188 Ų188142.7 Ų142.788%0.87978%0.783SS**  trans-101.4114165.1-85-97.2117.500111.5G600 G604G600-E602 PolarHBondContact O-N 2.85Å; E602-G604 VanDerWaalsContact C-N 3.35Å; E602-G604 PolarHBondContact O-N 2.9Å
603K29Very low31.9Very low185 Ų185147.9 Ų147.980%0.80482%0.815SS**  trans-81.577.4176.4-72.4170.1-176.5152.50110.6
604G27.7Very low30.3Very low65 Ų65150.5 Ų150.567%0.6783%0.826SS**  trans-63.7167.4-179.300000114.9E602E602-G604 VanDerWaalsContact C-N 3.35Å; E602-G604 PolarHBondContact O-N 2.9Å
605F25.4Very low29.2Very low214 Ų214154.2 Ų154.294%0.93984%0.835SS**  trans-130.7111.3171.9-123.1-88.4000111.7G607F605-G607 PolarHBondContact O-N 2.98Å
606R31Very low28.4Very low247 Ų247154.3 Ų154.393%0.93283%0.834SS**  trans-76.2106.2175.9-79.9-177.4166.6-170.6-4.8111.4
607G26.3Very low27.7Very low81 Ų81158.9 Ų158.984%0.83584%0.835SS**PPolyproline II helixtrans-83.2124.9164.400000111.9F605F605-G607 PolarHBondContact O-N 2.98Å
608R28.3Very low27.4Very low240 Ų240162.9 Ų162.991%0.90684%0.841SS**PPolyproline II helixtrans-89.3143178.4-83.6176.7161.7165.9-7.3112.2
609R29.9Very low26.7Very low250 Ų250161.9 Ų161.994%0.94384%0.836SS**PPolyproline II helixtrans-46.7138162.6-72.8179.3172.9168.3-2.8111.4
610K27.5Very low26.1Very low205 Ų205161.6 Ų161.689%0.89183%0.834SS**  trans-141.7148.3156.3-84.1-165.2175.6-176.10110.3
611Q24.9Very low26Very low182 Ų182165.6 Ų165.685%0.8584%0.836SS**  trans-115.2125.1-175.1175.7-171.81200108.5
612V23.2Very low25.7Very low140 Ų140162.8 Ų162.885%0.84883%0.834SS**  trans-144.9158.6171.6-172.40000108
613V22.8Very low25.8Very low121 Ų121160.6 Ų160.673%0.73383%0.826SS**  trans-121.5157.2-162.1173.90000112
614S22.6Very low25.9Very low102 Ų102157.4 Ų157.471%0.71383%0.825SS**  trans83.4119.4158.463.10000122.3
615M22.3Very low25.8Very low171 Ų171163.9 Ų163.984%0.84283%0.83SS**  61.8114.7121.1-59.6-82.3-84.200121.2
616I23.9Very low25.7Very low165 Ų165161.7 Ų161.785%0.84682%0.823SS**  -179.9155.7107.5-91.6163.5000110.3
617Q22.6Very low25.3Very low170 Ų170155.2 Ų155.279%0.79482%0.816SS**  trans-90.6153.3-175.4-56.3151-62.700113.2
618L23.6Very low25.2Very low149 Ų149157.4 Ų157.478%0.7882%0.817SS**  170.3150.4110.8-95.2146.4000114.2
619E22.4Very low25.1Very low185 Ų185154 Ų15486%0.86482%0.815SS**  trans8.9142.2162.7-68.8171.1125.200123.1
620G23.2Very low24.8Very low80 Ų80151.3 Ų151.383%0.82581%0.814SS**  trans160.376.8156.900000118.1
621L24.8Very low24.7Very low159 Ų159147.9 Ų147.983%0.83281%0.81SS**  trans-85.9162.8156.2-83.5170.7000109.8
622P30Very low24.8Very low120 Ų120144.9 Ų144.978%0.77981%0.806SS**  cis-128.5175.314.641.8-26.6000116.4
623I30.2Very low24.8Very low141 Ų141141.9 Ų141.972%0.72380%0.804SS**  trans-74.5160.4168-23.4179.3000110.1
624P31.7Very low25Very low119 Ų119142.4 Ų142.477%0.77381%0.806SS**  -150139.39737.8-20.1000117.7
625Y24.4Very low25.3Very low200 Ų200144.4 Ų144.478%0.78481%0.805SS**  trans76.3152.6139.6-125.2-114.8000123.9
626E23.3Very low25.6Very low168 Ų168142 Ų14279%0.78579%0.794SS**  trans56.2104.7158.4-101.7165-150.600121.4
627S24.6Very low25.8Very low112 Ų112141.7 Ų141.778%0.78379%0.793SS**  -174.4125.9103.1-171.30000110.9
628C23.9Very low26.3Very low126 Ų126137.1 Ų137.185%0.85178%0.778SS**  trans-93.3139173.3-58.70000110.3
629L24.9Very low26.6Very low168 Ų168138.3 Ų138.388%0.8878%0.78SS**  trans-108.3136161-72.9176000109
630E24.2Very low27Very low194 Ų194136.8 Ų136.891%0.90777%0.773SS**  trans-76145.9-173.7-59.8166.6129.500111.6
631V25.7Very low27.2Very low133 Ų133140.5 Ų140.581%0.80677%0.774SS**  trans-125.7134.3163.7-176.90000107
632P26.1Very low27.4Very low120 Ų120136 Ų13678%0.77977%0.765SS**PPolyproline II helixtrans-63.7136.4-175-2334.4000112.9
633G23.2Very low27.2Very low77 Ų77138.4 Ų138.479%0.79477%0.772SS**PPolyproline II helixtrans-73140.5176.300000112.6
634V26.6Very low27.1Very low131 Ų131141.2 Ų141.279%0.79478%0.779SS**PPolyproline II helixtrans-94.4117.4171.9177.80000108.8
635E30.3Very low27Very low144 Ų144140.4 Ų140.467%0.67378%0.783SS**PPolyproline II helixtrans-77.1126.7162.5-48-171101.800108.7K104K104-E635 WeakPolarHBondContact CE-OE1 3.36Å; K104-E635 IonicContact NZ-OE1 3.44Å; K104-E635 PolarHBondContact NZ-OE1 3.01Å
636L28.5Very low27.1Very low120 Ų120140.2 Ų140.263%0.62879%0.789SS**  trans-165.195.8156.6-105.8178.1000112.1P638L636-P638 HydrophobicContact CD2-CG 3.52Å
637I28Very low27.3Very low160 Ų160140 Ų14082%0.82179%0.793SS**  trans-135.296.6144.8-58.2-178.5000106.3
638P31.8Very low27.3Very low74 Ų74142.1 Ų142.148%0.48180%0.795SS.*  trans-66.5155.2170.7-19.133.5000111.4L636L636-P638 HydrophobicContact CD2-CG 3.52Å
639E30.2Very low27.4Very low173 Ų173141.3 Ų141.381%0.80879%0.791SS**  trans-86.5128170.3-59.2-175.9121.500108.5D641E639-D641 PolarHBondContact O-N 3Å
640E31.6Very low27.5Very low154 Ų154141.9 Ų141.972%0.7279%0.789SS**  trans-86.196.8177.1-78172174.400110.1R391R391-E640 IonicContact CZ-OE1 3.42Å; R391-E640 IonicContact NH1-OE1 3.7Å; R391-E640 PolarHBondContact NH1-OE1 3.42Å; R391-E640 IonicContact NH2-OE1 2.68Å
641D27.1Very low27.6Very low158 Ų158140.6 Ų140.685%0.84578%0.783SS**  trans-71.4134.1158.1-81-45.3000109.2E639E639-D641 PolarHBondContact O-N 3Å
642G28.5Very low27.7Very low64 Ų64140 Ų14066%0.6678%0.775SS**  trans-90.3106.5-17400000112.9
643D26.6Very low27.7Very low171 Ų171142.4 Ų142.491%0.91478%0.776SS**PPolyproline II helixtrans-70.9127.9166.3-81.4-36.3000110.7
644F28.4Very low27.9Very low200 Ų200148 Ų14888%0.87778%0.782SS**PPolyproline II helixtrans-86.2123.6170.5-72.1-100.9000109
645A28.5Very low28Very low102 Ų102148.5 Ų148.584%0.84378%0.78SS**PPolyproline II helixtrans-78.7125.3166.200000109.5
646E27.5Very low28.1Very low195 Ų195147.7 Ų147.791%0.91179%0.787SS**PPolyproline II helixtrans-74.8139.2168-61.7179.2139.700109
647D26.6Very low27.9Very low164 Ų164144.9 Ų144.988%0.87779%0.787SS**  trans-111.1127178.4-164.418.8000109
648D24.4Very low28.5Very low156 Ų156143.3 Ų143.383%0.83479%0.787SS**  trans-113.8113.2-159.2-148.84.3000109.9
649S27.6Very low28.2Very low109 Ų109145.2 Ų145.276%0.76280%0.803SS**  trans-150143.6173.9560000112.2
650E26.2Very low28.1Very low180 Ų180146.2 Ų146.284%0.84181%0.807SS**  trans-102.5156.3-152.2-58.7175.1115.800115.2
651E27.1Very low28Very low168 Ų168146.4 Ų146.479%0.78581%0.813SS**  trans70.4147.1159.7-71-175.8-166.300118.6
652N26.5Very low28.3Very low119 Ų119144.8 Ų144.864%0.63681%0.811SS**  cis-150.2179.19-136.5-45.4000114.2
653E27.8Very low28.2Very low171 Ų171151.1 Ų151.180%0.79982%0.821SS**  trans-37.5151-176.9-68.1174.5156.400118
654E26.7Very low28.5Very low196 Ų196148.7 Ų148.792%0.91682%0.817SS**  -146.6169.954.1-72.6-171.7151.900115.6
655N27.9Very low28.8Very low140 Ų140145 Ų14575%0.74981%0.813SS**  trans-145.7143.5-176.3-176.58.3000111.3G657N655-G657 PolarHBondContact OD1-N 2.91Å; N655-G657 VanDerWaalsContact OD1-N 3.15Å
656P32.8Very low29Very low127 Ų127148 Ų14883%0.82582%0.815SS**  -145138.9114.435.3-19.7000115.9
657G24.8Very low29.3Very low61 Ų61142.3 Ų142.363%0.62980%0.797SS**  trans-83.1-141.3169.400000113.9N655N655-G657 PolarHBondContact OD1-N 2.91Å; N655-G657 VanDerWaalsContact OD1-N 3.15Å
658P39.5Very low29.9Very low127 Ų127141.2 Ų141.283%0.82580%0.796SS**  cis-139167.76.342.7-26.4000116.8
659S26.5Very low30.5Very low114 Ų114139 Ų13980%0.79779%0.788SS**  trans-172.1115.5137.541.40000115.5
660E26.9Very low31.1Very low194 Ų194141.7 Ų141.791%0.90779%0.788SS**  51.6112.7129.2-54.9-163.3145.900123.6
661N30.6Very low32Very low159 Ų159139.4 Ų139.485%0.8578%0.78SS**  trans-81158.8161.9-78.4-40.2000112.8
662P32.3Very low32.4Very low123 Ų123142.1 Ų142.180%0.79978%0.783SS**  -142.8116.4120.734.7-19.4000116.6
663K26.5Very low32.8Very low198 Ų198143.7 Ų143.786%0.86179%0.792SS**  trans28.1126.7136-58.4-179.3-179.2-179.80120.9
664S34.4Very low33.3Very low119 Ų119143 Ų14383%0.83279%0.793SS**  trans-62.2158.4161.4-34.20000114.4
665P33.2Very low33.8Very low123 Ų123140 Ų14080%0.79978%0.782SS**  trans-130.7131.7152.335.8-22.4000113.8
666D33.6Very low33.8Very low166 Ų166139.9 Ų139.989%0.88878%0.781SS**  trans-72.2141.7170.1-70.5-69.4000113.2
667S33.3Very low33.7Very low74 Ų74140 Ų14052%0.51778%0.782SS.*  trans-157.4130.9140.783.90000111.9T669S667-T669 WeakPolarHBondContact CB-OG1 3.33Å; S667-T669 PolarHBondContact O-N 3.09Å; S667-T669 PolarHBondContact OG-OG1 2.88Å
668V39.8Very low33.8Very low142 Ų142143.2 Ų143.286%0.86179%0.789SS**THydrogen-bonded Turntrans-83.144.1-176.4-165.40000111.3
669T37.3Very low33.4Very low108 Ų108143.2 Ų143.266%0.66379%0.786SS**THydrogen-bonded Turntrans-122.8-9.6-165.4-4.40000115.2S667S667-T669 WeakPolarHBondContact CB-OG1 3.33Å; S667-T669 PolarHBondContact O-N 3.09Å; S667-T669 PolarHBondContact OG-OG1 2.88Å
670Q40.3Very low33.3Very low166 Ų166146.8 Ų146.878%0.77679%0.791SS**SBendtrans-107.32.1-174.8-65-175.6-200114.7
671I44Very low33.4Very low132 Ų132143 Ų14368%0.67778%0.78SS**SBendtrans-95-9.6-173.1-63.4174.5000112.9
672R35.3Very low33.2Very low225 Ų225142.1 Ų142.185%0.84978%0.781SS**G310 helixtrans-81.1-22-175.2-85.8-175.2171.1161.70.3116
673D35.3Very low33.1Very low152 Ų152143.4 Ų143.481%0.81378%0.78SS**G310 helixtrans-956.7-169.2-62.2-16.5000114.3
674L39Very low33.1Very low158 Ų158140.2 Ų140.283%0.82778%0.779SS**G310 helixtrans-97.32.4177.5-77.5166.7000114.1
675I37Very low32.6Very low132 Ų132137.9 Ų137.968%0.67777%0.774SS**SBendtrans-113.858.9-173.4-44.5-179.8000111.4
676N28.2Very low33.1Very low137 Ų137137.5 Ų137.573%0.73377%0.771SS**  trans157.6115.9147.3-86-26.6000111.9V678N676-V678 PolarHBondContact O-N 3.33Å
677P29.8Very low32.9Very low129 Ų129139 Ų13984%0.83877%0.773SS**  trans-80.1101.5160.831.4-30000110.2
678V27.1Very low32.6Very low130 Ų130143 Ų14379%0.78879%0.789SS**  trans-73.8141.5168.7176.50000109.7N676N676-V678 PolarHBondContact O-N 3.33Å
679V31.3Very low32Very low126 Ų126141 Ų14176%0.76479%0.787SS**  trans-98.3135.7174.9177.70000109.6
680E24.8Very low31.5Very low190 Ų190142 Ų14289%0.88879%0.793SS**  trans-142.6165.2162.9-146.6169.3-153.400112.1
681V29.1Very low30.8Very low114 Ų114140.8 Ų140.869%0.69180%0.798SS**  trans-140.2153.9-160.41750000109
682V25.1Very low29.9Very low141 Ų141138.4 Ų138.486%0.85581%0.805SS**  trans-158.8151.2148.7126.80000111.9
683L30.8Very low29.7Very low149 Ų149134.3 Ų134.378%0.7881%0.805SS**  trans-100.4176.7-177.4-67.5165.4000112.3
684P26.8Very low29.2Very low131 Ų131136.3 Ų136.385%0.85181%0.81SS**  -137.1151.511437.5-28.1000114.7
685G24.1Very low28.8Very low70 Ų70134.8 Ų134.872%0.72281%0.808SS**  trans-102.9-148161.400000110.8
686P43.7Very low28.2Very low115 Ų115135 Ų13575%0.74782%0.815SS**  cis-129.4-177-5.643-28.5000113.5
687E27.8Very low28.2Very low197 Ų197134.9 Ų134.992%0.92181%0.814SS**  trans-146.1159.5138.9-79.1-152.8161.700109.3
688D28.2Very low28.1Very low158 Ų158131.1 Ų131.185%0.84580%0.799SS**  trans-96.8147.3-153.9-65.6-64.3000117.1
689A27.4Very low28.2Very low100 Ų100129.2 Ų129.283%0.82679%0.788SS**  -173.1140.1117.200000112.5
690T26.3Very low28.2Very low130 Ų130129 Ų12980%0.79878%0.781SS**  trans-87.6155.3167.255.60000109.6
691T26Very low28.5Very low141 Ų141123.8 Ų123.887%0.86576%0.763SS**  cis-166.8164.148.527.80000109.9
692G24.9Very low29.1Very low81 Ų81125.8 Ų125.884%0.83577%0.766SS**  trans128.7121.1159.600000114.9
693T31.6Very low30.2Very low139 Ų139128.9 Ų128.985%0.85377%0.772SS**  trans-99138.5175.548.20000111.6
694E23.7Very low30.7Very low194 Ų194129.1 Ų129.191%0.90777%0.773SS**  trans-158.2142.6140.7-121167.5-142.300111.1
695T31.6Very low31.2Very low127 Ų127126 Ų12678%0.77977%0.765SS**  trans-108.4130.9-177.547.50000110.5
696T24.4Very low31.8Very low137 Ų137129.9 Ų129.984%0.8477%0.768SS**  trans-136.6112.6167.5410000110.4
697N27.6Very low31Very low133 Ų133130 Ų13071%0.71176%0.759SS**  trans-74.8156.9171.9-67.143.3000110.1
698G28.3Very low31.4Very low51 Ų51129.2 Ų129.253%0.52676%0.755SS.*  trans-145.177.6-16700000113.9E709G698-E709 PolarHBondContact N-OE1 3.45Å
699T27.6Very low31.3Very low89 Ų89126.5 Ų126.555%0.54674%0.738SS.*  trans-71.4135.8179.2-41.50000112.4Q707T699-Q707 HydrophobicContact CG2-CB 3.97Å; T699-Q707 HydrophobicContact CG2-CG 3.97Å
700I33.4Very low31.5Very low122 Ų122128.2 Ų128.263%0.62674%0.737SS**  trans-114.9143.1168.1-60.7177.9000108.2
701T29.9Very low31.4Very low81 Ų81127.5 Ų127.550%0.49773%0.733SS.*  trans-116.2141.6174.9-45.50000108.9Q707T701-Q707 HydrophobicContact CG2-CG 4.11Å; T701-Q707 PolarHBondContact OG1-NE2 3.08Å
702M42.5Very low31.4Very low155 Ų155129.2 Ų129.276%0.76473%0.731SS**  trans-120.3172.9172.8-75.1-160.7171.400111.8D704 G705M702-D704 PolarHBondContact O-N 3.02Å; M702-G705 PolarHBondContact O-N 3.32Å
703E47.1Very low31.7Very low207 Ų207131.7 Ų131.797%0.96773%0.73SS**THydrogen-bonded Turntrans-69.810.5-160-151.5162.3-162.900115.8
704D40.9Very low31.3Very low153 Ų153131.8 Ų131.882%0.81873%0.73SS**THydrogen-bonded Turntrans-130.325.2178.2-152.719.9000112.3M702 L706M702-D704 PolarHBondContact O-N 3.02Å; D704-L706 PolarHBondContact O-N 3.32Å; D704-L706 VanDerWaalsContact O-N 3.14Å
705G37.9Very low31.3Very low65 Ų65128.3 Ų128.367%0.6772%0.722SS**SBendtrans79.7-7.3160.800000118.6M702M702-G705 PolarHBondContact O-N 3.32Å
706L37Very low31.1Very low152 Ų152129.2 Ų129.280%0.79672%0.721SS**  trans-98.7151.3178.7-66.8171.6000113.1D704D704-L706 PolarHBondContact O-N 3.32Å; D704-L706 VanDerWaalsContact O-N 3.14Å
707Q27.1Very low31.2Very low117 Ų117129 Ų12955%0.54772%0.719SS.*  trans-128.4127.2-177.9-69.3-179.9-18.500110.8T699 T701T699-Q707 HydrophobicContact CG2-CB 3.97Å; T699-Q707 HydrophobicContact CG2-CG 3.97Å; T701-Q707 HydrophobicContact CG2-CG 4.11Å; T701-Q707 PolarHBondContact OG1-NE2 3.08Å
708E35Very low31.1Very low181 Ų181126.2 Ų126.285%0.84672%0.722SS**  trans-140.4158.7165.3-72.6-163.9141.500110.3
709E26.1Very low31.2Very low101 Ų101130.7 Ų130.747%0.47273%0.734SS.*  trans-108.3135-169.4-168.4165.3-136.600111.1G698G698-E709 PolarHBondContact N-OE1 3.45Å
710V32.2Very low31.2Very low136 Ų136131.4 Ų131.482%0.82474%0.743SS**  trans-119.5115.7-171-179.30000111.8
711T25.6Very low31.5Very low116 Ų116132.6 Ų132.671%0.71275%0.749SS**  trans-103100.7-173.943.30000113.8
712H26.1Very low31.9Very low177 Ų177133.1 Ų133.182%0.81976%0.757SS**  trans74.4157.4160.3-61.4-74000120.9
713V30.2Very low31.6Very low133 Ų133134.6 Ų134.681%0.80676%0.759SS**  trans-154.9132.5-170.6172.90000109.3
714T23.6Very low31.2Very low140 Ų140128 Ų12886%0.85974%0.736SS**  trans-160.8170.3164.74.20000115.5
715T24.1Very low31.1Very low121 Ų121129.1 Ų129.174%0.74273%0.733SS**  trans-119.2-178.8-17554.60000111.1
716I27Very low31.1Very low146 Ų146130.6 Ų130.675%0.74973%0.733SS**  cis-164179.727.5-158.9146.8000112.1
717V25.6Very low31.4Very low132 Ų132128 Ų12880%0.872%0.719SS**  trans9.6123.3158.4172.20000117.2
718G25.5Very low32.1Very low76 Ų76128.3 Ų128.378%0.78472%0.722SS**  120.5178.458.800000109.1
719D30.3Very low32.4Very low145 Ų145126.9 Ų126.978%0.77572%0.716SS**  cis-161.8162.6-12.9176.339.3000108.5
720S27.2Very low33.1Very low103 Ų103128.9 Ų128.972%0.7273%0.725SS**  trans-162.9120.7172.5-1590000115.6
721L41.3Very low33.6Very low147 Ų147128.1 Ų128.177%0.7772%0.715SS**  trans-115.4107.7177.1-82.6165.9000112.5
722S37.5Very low34.5Very low93 Ų93128.5 Ų128.565%0.6571%0.711SS**  trans-159.5-34.5167.859.30000115.7S724S722-S724 VanDerWaalsContact C-N 3.29Å; S722-S724 PolarHBondContact O-N 3.17Å
723K36.5Very low35.2Very low185 Ų185122.1 Ų122.180%0.80469%0.693SS**THydrogen-bonded Turntrans-72.7-8.8-175.1-72.5-174174.1-177.90115.9K725K723-K725 PolarHBondContact O-N 2.91Å
724S39.4Very low36Very low70 Ų70119.5 Ų119.549%0.4968%0.68SS.*THydrogen-bonded Turntrans-81.2-7.8-166.751.10000116.6S722S722-S724 VanDerWaalsContact C-N 3.29Å; S722-S724 PolarHBondContact O-N 3.17Å
725K38.3Very low37.1Very low175 Ų175121 Ų12176%0.76167%0.671SS**THydrogen-bonded Turntrans-86.7-38.5-178.8-74.4-168.5172.7-173.30114.6K723 I727 M728K723-K725 PolarHBondContact O-N 2.91Å; K725-I727 VanDerWaalsContact C-N 3.31Å; K725-I727 PolarHBondContact O-N 3.13Å; K725-M728 PolarHBondContact O-N 3.26Å
726S37.3Very low38.1Very low96 Ų96122.6 Ų122.667%0.67167%0.667SS**Hα-helixtrans-64.9-33.6-174.6-160.40000113.5M728S726-M728 VanDerWaalsContact C-N 3.3Å; S726-M728 PolarHBondContact O-N 3.46Å
727I44Very low39.1Very low99 Ų99122.2 Ų122.251%0.50866%0.662SS.*Hα-helixtrans-75.4-21.2-175.5-60.7165.7000111.5K725 L731K725-I727 VanDerWaalsContact C-N 3.31Å; K725-I727 PolarHBondContact O-N 3.13Å; I727-L731 HydrophobicContact CG2-CD1 3.95Å; I727-L731 HydrophobicContact CG2-CG 4.47Å; I727-L731 WeakPolarHBondContact O-CG 3.38Å; I727-L731 PolarHBondContact O-N 3.4Å
728M40.6Very low40.2Very low122 Ų122122 Ų12260%0.60165%0.65SS**Hα-helixtrans-81.2-29.9-171.5-160.5176.9-63.400113.3K725 S726 M732K725-M728 PolarHBondContact O-N 3.26Å; S726-M728 VanDerWaalsContact C-N 3.3Å; S726-M728 PolarHBondContact O-N 3.46Å; M728-M732 WeakPolarHBondContact O-CG 3.43Å; M728-M732 PolarHBondContact O-N 2.93Å
729E41.7Very low41.4Very low152 Ų152122.7 Ų122.771%0.7163%0.633SS**Hα-helixtrans-76.4-37.8174.4-69.5-179.7124.300111.4M732 G733E729-M732 PolarHBondContact O-N 3.33Å; E729-G733 PolarHBondContact O-N 3.03Å
730E42.2Very low42.3Very low142 Ų142121.4 Ų121.466%0.66463%0.626SS**Hα-helixtrans-61.2-47176.1-163.8164.9-142.500111.6M732 G733 S734E730-M732 VanDerWaalsContact C-N 3.29Å; E730-M732 PolarHBondContact O-N 3Å; E730-G733 PolarHBondContact O-N 3.4Å; E730-G733 VanDerWaalsContact O-N 3.16Å; E730-S734 PolarHBondContact O-N 2.88Å
731L42.7Very low43.7Very low120 Ų120122.8 Ų122.863%0.62862%0.621SS**Hα-helixtrans-62-28.3175.1-80.1168.8000114.4I727I727-L731 HydrophobicContact CG2-CD1 3.95Å; I727-L731 HydrophobicContact CG2-CG 4.47Å; I727-L731 WeakPolarHBondContact O-CG 3.38Å; I727-L731 PolarHBondContact O-N 3.4Å
732M43.3Very low44.4Very low124 Ų124119.4 Ų119.461%0.61160%0.604SS**Hα-helixtrans-78.5-25.9176.7-74.8-166.3-62.800113M728 E729 E730M728-M732 WeakPolarHBondContact O-CG 3.43Å; M728-M732 PolarHBondContact O-N 2.93Å; E729-M732 PolarHBondContact O-N 3.33Å; E730-M732 VanDerWaalsContact C-N 3.29Å; E730-M732 PolarHBondContact O-N 3Å
733G41Very low45.6Very low44 Ų44120.3 Ų120.345%0.45460%0.598SS.*Hα-helixtrans-66.7-55173.100000111.8E729 E730 R735 K736E729-G733 PolarHBondContact O-N 3.03Å; E730-G733 PolarHBondContact O-N 3.4Å; E730-G733 VanDerWaalsContact O-N 3.16Å; G733-R735 PolarHBondContact O-N 2.9Å; G733-K736 PolarHBondContact O-N 3.46Å
734S47.1Very low47Very low77 Ų77114.3 Ų114.354%0.53858%0.582SS.*Hα-helixtrans-59.7-32.4-177.1-49.80000113.5E730 Q737 K738E730-S734 PolarHBondContact O-N 2.88Å; S734-Q737 PolarHBondContact O-N 2.94Å; S734-K738 PolarHBondContact O-N 3.1Å; S734-K738 VanDerWaalsContact O-N 3.14Å
735R45.5Very low48.4Very low173 Ų173113.8 Ų113.865%0.65358%0.582SS**Hα-helixtrans-63.1-49.3-177.6-175.9172.9179.2144.99.1112.9G733 Q737 K738 E739G733-R735 PolarHBondContact O-N 2.9Å; R735-Q737 PolarHBondContact O-N 3.23Å; R735-K738 PolarHBondContact O-N 3.18Å; R735-E739 WeakPolarHBondContact CG-OE1 3.43Å; R735-E739 IonicContact CZ-OE1 3.52Å; R735-E739 IonicContact NE-OE1 2.8Å; R735-E739 PolarHBondContact NE-OE1 2.87Å; R735-E739 IonicContact NH2-OE1 3.7Å; R735-E739 WeakPolarHBondContact O-CG 3.36Å; R735-E739 PolarHBondContact O-N 3.37Å
736K47Very low49.8Very low154 Ų154110.4 Ų110.467%0.6757%0.571SS**Hα-helixtrans-63.2-32.7178.1-78.4-172170.1-173.10112.9G733 K738 L740G733-K736 PolarHBondContact O-N 3.46Å; K736-K738 VanDerWaalsContact C-N 3.31Å; K736-L740 PolarHBondContact O-N 3.25Å
737Q46.1Very low51.2Low137 Ų137111.9 Ų111.964%0.6457%0.568SS**Hα-helixtrans-73.1-28.2180-160.21667.500111.9S734 R735 Q741S734-Q737 PolarHBondContact O-N 2.94Å; R735-Q737 PolarHBondContact O-N 3.23Å; Q737-Q741 WeakPolarHBondContact O-CG 3.44Å
738K50.3Low52.5Low128 Ų128115.5 Ų115.556%0.55758%0.575SS**Hα-helixtrans-78.3-43.8172.1-161179.1-179.2-177.80112.7S734 R735 K736 L740 Q741 D742S734-K738 PolarHBondContact O-N 3.1Å; S734-K738 VanDerWaalsContact O-N 3.14Å; R735-K738 PolarHBondContact O-N 3.18Å; K736-K738 VanDerWaalsContact C-N 3.31Å; K738-L740 PolarHBondContact O-N 2.9Å; K738-Q741 WeakPolarHBondContact O-CA 3.38Å; K738-Q741 WeakPolarHBondContact O-CB 3.24Å; K738-Q741 PolarHBondContact O-N 2.93Å; K738-D742 PolarHBondContact O-N 3.09Å
739E49.3Very low54Low90 Ų90111.8 Ų111.842%0.42156%0.563SS.*Hα-helixtrans-55.5-36.3177.7-72.9164.4173.800111.9R735 E743R735-E739 WeakPolarHBondContact CG-OE1 3.43Å; R735-E739 IonicContact CZ-OE1 3.52Å; R735-E739 IonicContact NE-OE1 2.8Å; R735-E739 PolarHBondContact NE-OE1 2.87Å; R735-E739 IonicContact NH2-OE1 3.7Å; R735-E739 WeakPolarHBondContact O-CG 3.36Å; R735-E739 PolarHBondContact O-N 3.37Å; E739-E743 WeakPolarHBondContact O-CB 3.42Å; E739-E743 PolarHBondContact O-N 3.12Å; E739-E743 VanDerWaalsContact O-N 3.16Å
740L50.8Low55.6Low119 Ų119108.4 Ų108.462%0.62355%0.549SS*.Hα-helixtrans-73.8-23.5173.3-73.9168.4000115.2K736 K738K736-L740 PolarHBondContact O-N 3.25Å; K738-L740 PolarHBondContact O-N 2.9Å
741Q56.3Low57Low131 Ų131107.9 Ų107.961%0.61255%0.545SS*.Hα-helixtrans-81.8-40.8174.6-74.6-179.6-32.900111.1Q737 K738 A744 A745Q737-Q741 WeakPolarHBondContact O-CG 3.44Å; K738-Q741 WeakPolarHBondContact O-CA 3.38Å; K738-Q741 WeakPolarHBondContact O-CB 3.24Å; K738-Q741 PolarHBondContact O-N 2.93Å; Q741-A744 PolarHBondContact O-N 2.67Å; Q741-A745 PolarHBondContact O-N 3.01Å
742D56.4Low58.4Low77 Ų77107.9 Ų107.941%0.41254%0.542SS..Hα-helixtrans-63.6-41.7177.1-61.4-25.9000110.5K738 A744 A745 I746K738-D742 PolarHBondContact O-N 3.09Å; D742-A744 PolarHBondContact O-N 3.49Å; D742-A745 PolarHBondContact O-N 3.45Å; D742-I746 WeakPolarHBondContact O-CD1 3.31Å; D742-I746 VanDerWaalsContact O-CG1 3.3Å; D742-I746 WeakPolarHBondContact O-CG1 3.24Å; D742-I746 PolarHBondContact O-N 3.05Å
743E62Low59.5Low112 Ų112107.6 Ų107.652%0.52354%0.54SS..Hα-helixtrans-62.9-39.4175-172.8171.7-154.100112.9E739 I746 Q747E739-E743 WeakPolarHBondContact O-CB 3.42Å; E739-E743 PolarHBondContact O-N 3.12Å; E739-E743 VanDerWaalsContact O-N 3.16Å; E743-I746 PolarHBondContact O-N 2.79Å; E743-Q747 WeakPolarHBondContact O-CG 3.25Å; E743-Q747 PolarHBondContact O-N 2.94Å; E743-Q747 VanDerWaalsContact O-N 3.12Å
744A65.8Low60.8Low58 Ų58111.3 Ų111.348%0.47955%0.546SS..Hα-helixtrans-71.1-31.5176.400000113.1Q741 D742 R748Q741-A744 PolarHBondContact O-N 2.67Å; D742-A744 PolarHBondContact O-N 3.49Å; A744-R748 PolarHBondContact O-N 3.29Å
745A69Low61.8Low59 Ų59112.5 Ų112.549%0.48854%0.544SS..Hα-helixtrans-69-43.4173.300000111.4Q741 D742 Q747 R748 A749Q741-A745 PolarHBondContact O-N 3.01Å; D742-A745 PolarHBondContact O-N 3.45Å; A745-Q747 VanDerWaalsContact C-N 3.35Å; A745-Q747 PolarHBondContact O-N 3.35Å; A745-R748 PolarHBondContact O-N 2.79Å; A745-R748 VanDerWaalsContact O-N 3.11Å; A745-A749 PolarHBondContact O-N 3.39Å
746I66.5Low62.9Low104 Ų104106.3 Ų106.353%0.53353%0.53SS..Hα-helixtrans-59.8-43.8176-69.3163.2000111.1D742 E743 R748 A749 I750D742-I746 WeakPolarHBondContact O-CD1 3.31Å; D742-I746 VanDerWaalsContact O-CG1 3.3Å; D742-I746 WeakPolarHBondContact O-CG1 3.24Å; D742-I746 PolarHBondContact O-N 3.05Å; E743-I746 PolarHBondContact O-N 2.79Å; I746-R748 VanDerWaalsContact C-N 3.26Å; I746-R748 PolarHBondContact O-N 3.01Å; I746-A749 PolarHBondContact O-N 3.21Å; I746-I750 HydrophobicContact CG2-CD1 3.78Å; I746-I750 HydrophobicContact CG2-CG1 4.42Å; I746-I750 VanDerWaalsContact O-CG1 3.31Å; I746-I750 WeakPolarHBondContact O-CG1 3.46Å; I746-I750 PolarHBondContact O-N 3.15Å
747Q66.9Low64Low128 Ų128102.6 Ų102.660%0.59852%0.52SS*.Hα-helixtrans-63.9-28.1176.3-72.2-179.919.200113.5E743 A745 K751E743-Q747 WeakPolarHBondContact O-CG 3.25Å; E743-Q747 PolarHBondContact O-N 2.94Å; E743-Q747 VanDerWaalsContact O-N 3.12Å; A745-Q747 VanDerWaalsContact C-N 3.35Å; A745-Q747 PolarHBondContact O-N 3.35Å; Q747-K751 PolarHBondContact O-N 2.93Å
748R73Confident64.7Low175 Ų175102.7 Ų102.766%0.6652%0.52SS*.Hα-helixtrans-74.6-47.5173.8-171.8176.3-63.8166.80.5111.5A744 A745 I746 I750 K751 E752A744-R748 PolarHBondContact O-N 3.29Å; A745-R748 PolarHBondContact O-N 2.79Å; A745-R748 VanDerWaalsContact O-N 3.11Å; I746-R748 VanDerWaalsContact C-N 3.26Å; I746-R748 PolarHBondContact O-N 3.01Å; R748-I750 VanDerWaalsContact C-N 3.33Å; R748-I750 PolarHBondContact O-N 3.46Å; R748-K751 WeakPolarHBondContact O-CB 3.07Å; R748-K751 PolarHBondContact O-N 2.89Å; R748-E752 PolarHBondContact O-N 3.34Å
749A72Confident65.4Low43 Ų43102.3 Ų102.336%0.35552%0.521SS..Hα-helixtrans-62.2-37.4179.100000112.8A745 I746 K751 E752 M753A745-A749 PolarHBondContact O-N 3.39Å; I746-A749 PolarHBondContact O-N 3.21Å; A749-K751 VanDerWaalsContact C-N 3.3Å; A749-K751 PolarHBondContact O-N 3.12Å; A749-E752 PolarHBondContact O-N 3.46Å; A749-M753 WeakPolarHBondContact O-CG 3.49Å; A749-M753 PolarHBondContact O-N 2.9Å
750I74.8Confident65.7Low82 Ų82103.3 Ų103.342%0.42153%0.525SS..Hα-helixtrans-59.5-43.3171.9-70.6167000110.6I746 R748 M753 E754I746-I750 HydrophobicContact CG2-CD1 3.78Å; I746-I750 HydrophobicContact CG2-CG1 4.42Å; I746-I750 VanDerWaalsContact O-CG1 3.31Å; I746-I750 WeakPolarHBondContact O-CG1 3.46Å; I746-I750 PolarHBondContact O-N 3.15Å; R748-I750 VanDerWaalsContact C-N 3.33Å; R748-I750 PolarHBondContact O-N 3.46Å; I750-M753 HydrophobicContact CG1-CE 4.39Å; I750-M753 PolarHBondContact O-N 2.97Å; I750-E754 PolarHBondContact O-N 3Å
751K71.1Confident66.1Low131 Ų131102.9 Ų102.957%0.5752%0.523SS*.Hα-helixtrans-71.8-32.6-179-161.1-176.6-179.9-166.30113.1Q747 R748 A749 E754 M755Q747-K751 PolarHBondContact O-N 2.93Å; R748-K751 WeakPolarHBondContact O-CB 3.07Å; R748-K751 PolarHBondContact O-N 2.89Å; A749-K751 VanDerWaalsContact C-N 3.3Å; A749-K751 PolarHBondContact O-N 3.12Å; K751-E754 PolarHBondContact O-N 2.74Å; K751-M755 WeakPolarHBondContact O-CG 3.3Å; K751-M755 PolarHBondContact O-N 2.81Å; K751-M755 VanDerWaalsContact O-N 3.08Å
752E72.4Confident66.1Low120 Ų12099.8 Ų99.856%0.56152%0.516SS*.Hα-helixtrans-66.2-39.6171.9-74.6163.2164.800110.8R748 A749 M755 A756R748-E752 PolarHBondContact O-N 3.34Å; A749-E752 PolarHBondContact O-N 3.46Å; E752-M755 PolarHBondContact O-N 3.49Å; E752-A756 WeakPolarHBondContact O-CB 3.43Å; E752-A756 PolarHBondContact O-N 2.95Å
753M66.5Low66.1Low117 Ų117102.1 Ų102.158%0.57653%0.525SS*.Hα-helixtrans-66.8-39.7171.4-70.4-176.8-66.900113.2A749 I750 M755 A756 V757A749-M753 WeakPolarHBondContact O-CG 3.49Å; A749-M753 PolarHBondContact O-N 2.9Å; I750-M753 HydrophobicContact CG1-CE 4.39Å; I750-M753 PolarHBondContact O-N 2.97Å; M753-M755 PolarHBondContact O-N 3.04Å; M753-A756 PolarHBondContact O-N 3.35Å; M753-V757 WeakPolarHBondContact O-CG2 3.24Å; M753-V757 PolarHBondContact O-N 2.97Å
754E68.1Low65.8Low123 Ų123102.1 Ų102.158%0.57553%0.525SS*.Hα-helixtrans-63.1-27.7174.2-75.9-176.9149.600112.9I750 K751 Q758I750-E754 PolarHBondContact O-N 3Å; K751-E754 PolarHBondContact O-N 2.74Å; E754-Q758 WeakPolarHBondContact O-CG 3.41Å
755M67.9Low65.3Low102 Ų102101.8 Ų101.850%0.50252%0.522SS..Hα-helixtrans-79.7-46.9173.2-74.1178.954.200111.8K751 E752 M753 V757 Q758 E759K751-M755 WeakPolarHBondContact O-CG 3.3Å; K751-M755 PolarHBondContact O-N 2.81Å; K751-M755 VanDerWaalsContact O-N 3.08Å; E752-M755 PolarHBondContact O-N 3.49Å; M753-M755 PolarHBondContact O-N 3.04Å; M755-V757 VanDerWaalsContact C-N 3.31Å; M755-V757 PolarHBondContact O-N 3.32Å; M755-Q758 WeakPolarHBondContact O-CA 3.3Å; M755-Q758 WeakPolarHBondContact O-CB 3.39Å; M755-Q758 PolarHBondContact O-N 3.46Å; M755-E759 PolarHBondContact O-N 3.11Å
756A67.9Low64.6Low42 Ų42102.2 Ų102.235%0.34752%0.521SS..Hα-helixtrans-58.7-40.3179.200000112.4E752 M753 Q758 E759 E760E752-A756 WeakPolarHBondContact O-CB 3.43Å; E752-A756 PolarHBondContact O-N 2.95Å; M753-A756 PolarHBondContact O-N 3.35Å; A756-Q758 VanDerWaalsContact C-N 3.3Å; A756-Q758 PolarHBondContact O-N 3.31Å; A756-E759 PolarHBondContact O-N 3.21Å; A756-E759 VanDerWaalsContact O-N 3.17Å; A756-E760 PolarHBondContact O-N 3.32Å
757V70.9Confident64.1Low76 Ų76103.8 Ų103.846%0.46153%0.527SS..Hα-helixtrans-65.5-31.8175.4172.20000112.2M753 M755 D761M753-V757 WeakPolarHBondContact O-CG2 3.24Å; M753-V757 PolarHBondContact O-N 2.97Å; M755-V757 VanDerWaalsContact C-N 3.31Å; M755-V757 PolarHBondContact O-N 3.32Å; V757-D761 WeakPolarHBondContact O-CB 3.29Å; V757-D761 PolarHBondContact O-N 2.87Å
758Q61.3Low63.4Low140 Ų140104.1 Ų104.165%0.65453%0.528SS*.Hα-helixtrans-75.4-25.4174.4-73.1-178.76.100113E754 M755 A756 S762E754-Q758 WeakPolarHBondContact O-CG 3.41Å; M755-Q758 WeakPolarHBondContact O-CA 3.3Å; M755-Q758 WeakPolarHBondContact O-CB 3.39Å; M755-Q758 PolarHBondContact O-N 3.46Å; A756-Q758 VanDerWaalsContact C-N 3.3Å; A756-Q758 PolarHBondContact O-N 3.31Å; Q758-S762 WeakPolarHBondContact O-CB 3.08Å; Q758-S762 PolarHBondContact O-N 2.82Å
759E63.5Low62.5Low120 Ų120102.4 Ų102.456%0.56153%0.527SS*.Hα-helixtrans-76.3-47.3171.5-70.2175.1155.400109.9M755 A756 D761 S762 E763M755-E759 PolarHBondContact O-N 3.11Å; A756-E759 PolarHBondContact O-N 3.21Å; A756-E759 VanDerWaalsContact O-N 3.17Å; E759-D761 PolarHBondContact O-N 2.77Å; E759-S762 CarbonylContact O-C 3.59Å; E759-S762 WeakPolarHBondContact O-CA 3.49Å; E759-S762 WeakPolarHBondContact O-CB 3.09Å; E759-S762 PolarHBondContact O-N 3.02Å; E759-S762 PolarHBondContact O-OG 3.24Å; E759-E763 PolarHBondContact O-N 3.33Å
760E56.2Low61.7Low111 Ų111102.7 Ų102.752%0.51953%0.53SS..Hα-helixtrans-57.9-44.8173.9-73.7-177.4170.700113.2A756 S762 E763 Q764A756-E760 PolarHBondContact O-N 3.32Å; E760-S762 PolarHBondContact O-N 3.04Å; E760-E763 PolarHBondContact O-N 3.26Å; E760-Q764 WeakPolarHBondContact O-CB 3.16Å; E760-Q764 WeakPolarHBondContact O-CG 3.32Å; E760-Q764 PolarHBondContact O-N 3.29Å
761D59.3Low60.8Low109 Ų109101.5 Ų101.558%0.58353%0.529SS*.Hα-helixtrans-60.4-27.7174.3-88.1-15.6000112V757 E759V757-D761 WeakPolarHBondContact O-CB 3.29Å; V757-D761 PolarHBondContact O-N 2.87Å; E759-D761 PolarHBondContact O-N 2.77Å
762S56.9Low60.3Low67 Ų67102.3 Ų102.347%0.46954%0.535SS..Hα-helixtrans-86.9-35.4179.578.60000113.1Q758 E759 E760 A765 S766Q758-S762 WeakPolarHBondContact O-CB 3.08Å; Q758-S762 PolarHBondContact O-N 2.82Å; E759-S762 CarbonylContact O-C 3.59Å; E759-S762 WeakPolarHBondContact O-CA 3.49Å; E759-S762 WeakPolarHBondContact O-CB 3.09Å; E759-S762 PolarHBondContact O-N 3.02Å; E759-S762 PolarHBondContact O-OG 3.24Å; E760-S762 PolarHBondContact O-N 3.04Å; S762-A765 PolarHBondContact O-N 3.02Å; S762-S766 PolarHBondContact O-N 3Å
763E57.1Low59.5Low126 Ų126102.8 Ų102.859%0.58954%0.537SS*.Hα-helixtrans-68.5-45.8174.7-70.5-173.9152.800110.2E759 E760 A765 S766 E767E759-E763 PolarHBondContact O-N 3.33Å; E760-E763 PolarHBondContact O-N 3.26Å; E763-A765 VanDerWaalsContact C-N 3.28Å; E763-A765 PolarHBondContact O-N 3.02Å; E763-S766 CarbonylContact O-C 3.47Å; E763-S766 WeakPolarHBondContact O-CA 3.43Å; E763-S766 PolarHBondContact O-N 3.31Å; E763-S766 PolarHBondContact O-OG 3Å; E763-E767 PolarHBondContact O-N 3.49Å
764Q54.1Low59Low112 Ų112103.5 Ų103.552%0.52354%0.539SS..Hα-helixtrans-59.3-36.1175.6-73.1-179.936.400113E760 S766 E767 Q768E760-Q764 WeakPolarHBondContact O-CB 3.16Å; E760-Q764 WeakPolarHBondContact O-CG 3.32Å; E760-Q764 PolarHBondContact O-N 3.29Å; Q764-S766 VanDerWaalsContact C-N 3.33Å; Q764-E767 PolarHBondContact O-N 3.45Å; Q764-Q768 WeakPolarHBondContact O-CG 3.5Å; Q764-Q768 PolarHBondContact O-N 3.47Å
765A55.1Low58.7Low50 Ų50101.5 Ų101.541%0.41354%0.535SS..Hα-helixtrans-64.1-38.8173.600000111.9S762 E763 Q768 E769S762-A765 PolarHBondContact O-N 3.02Å; E763-A765 VanDerWaalsContact C-N 3.28Å; E763-A765 PolarHBondContact O-N 3.02Å; A765-Q768 PolarHBondContact O-N 3.29Å; A765-E769 PolarHBondContact O-N 2.97Å; A765-E769 VanDerWaalsContact O-N 3.13Å
766S56.1Low58.4Low68 Ų6899.8 Ų99.848%0.47653%0.533SS..Hα-helixtrans-72.9-35.1176.774.80000113.4S762 E763 Q764 Q768 E769 A770S762-S766 PolarHBondContact O-N 3Å; E763-S766 CarbonylContact O-C 3.47Å; E763-S766 WeakPolarHBondContact O-CA 3.43Å; E763-S766 PolarHBondContact O-N 3.31Å; E763-S766 PolarHBondContact O-OG 3Å; Q764-S766 VanDerWaalsContact C-N 3.33Å; S766-Q768 VanDerWaalsContact C-N 3.34Å; S766-E769 PolarHBondContact O-N 3.13Å; S766-A770 WeakPolarHBondContact O-CB 3.5Å; S766-A770 PolarHBondContact O-N 3.49Å
767E55.4Low58.1Low138 Ų138104.8 Ų104.865%0.64555%0.549SS*.Hα-helixtrans-67.2-35.4173.2-69.6-170148.400111.5E763 Q764 A770 S771E763-E767 PolarHBondContact O-N 3.49Å; Q764-E767 PolarHBondContact O-N 3.45Å; E767-A770 PolarHBondContact O-N 2.85Å; E767-S771 WeakPolarHBondContact O-CB 3.49Å; E767-S771 PolarHBondContact O-N 3.24Å; E767-S771 PolarHBondContact O-OG 2.93Å
768Q51.3Low57.4Low135 Ų135106.9 Ų106.963%0.63155%0.554SS**Hα-helixtrans-64.2-50.1171.8-75-165.5-46.600111.9Q764 A765 S766 A770 S771 E772Q764-Q768 WeakPolarHBondContact O-CG 3.5Å; Q764-Q768 PolarHBondContact O-N 3.47Å; A765-Q768 PolarHBondContact O-N 3.29Å; S766-Q768 VanDerWaalsContact C-N 3.34Å; Q768-A770 VanDerWaalsContact C-N 3.28Å; Q768-A770 PolarHBondContact O-N 3.12Å; Q768-S771 PolarHBondContact O-N 2.67Å; Q768-S771 VanDerWaalsContact O-N 3.13Å; Q768-S771 PolarHBondContact O-OG 2.89Å; Q768-E772 PolarHBondContact O-N 2.93Å
769E53.8Low57.4Low138 Ų138106 Ų10665%0.64555%0.55SS*.Hα-helixtrans-60.3-35.4176.6-72.9-168.115700112.6A765 S766 Q773A765-E769 PolarHBondContact O-N 2.97Å; A765-E769 VanDerWaalsContact O-N 3.13Å; S766-E769 PolarHBondContact O-N 3.13Å; E769-Q773 WeakPolarHBondContact O-CG 3.31Å; E769-Q773 PolarHBondContact O-N 3.44Å
770A55Low57.2Low50 Ų50102.7 Ų102.741%0.41354%0.543SS..Hα-helixtrans-67.3-43.1173.200000112.3S766 E767 Q768 E772 Q773 E774S766-A770 WeakPolarHBondContact O-CB 3.5Å; S766-A770 PolarHBondContact O-N 3.49Å; E767-A770 PolarHBondContact O-N 2.85Å; Q768-A770 VanDerWaalsContact C-N 3.28Å; Q768-A770 PolarHBondContact O-N 3.12Å; A770-E772 PolarHBondContact O-N 3.41Å; A770-Q773 WeakPolarHBondContact O-CB 3.47Å; A770-Q773 PolarHBondContact O-N 3.04Å; A770-Q773 VanDerWaalsContact O-N 3.17Å; A770-E774 PolarHBondContact O-N 3.4Å
771S56.8Low57.6Low57 Ų57100.5 Ų100.540%0.39954%0.54SS..Hα-helixtrans-66.9-35.4179.2730000113.2E767 Q768 Q773 E774 V775E767-S771 WeakPolarHBondContact O-CB 3.49Å; E767-S771 PolarHBondContact O-N 3.24Å; E767-S771 PolarHBondContact O-OG 2.93Å; Q768-S771 PolarHBondContact O-N 2.67Å; Q768-S771 VanDerWaalsContact O-N 3.13Å; Q768-S771 PolarHBondContact O-OG 2.89Å; S771-Q773 VanDerWaalsContact C-N 3.3Å; S771-Q773 PolarHBondContact O-N 2.94Å; S771-E774 PolarHBondContact O-N 2.96Å; S771-V775 WeakPolarHBondContact O-CG2 3.23Å; S771-V775 PolarHBondContact O-N 3.21Å
772E59.8Low57.8Low148 Ų148102.3 Ų102.369%0.69255%0.545SS*.Hα-helixtrans-68.3-30.8173.4-69.6-168.2167.600111.6Q768 A770 S776Q768-E772 PolarHBondContact O-N 2.93Å; A770-E772 PolarHBondContact O-N 3.41Å; E772-S776 WeakPolarHBondContact O-CB 3.09Å; E772-S776 PolarHBondContact O-N 2.85Å
773Q55.6Low58Low130 Ų130105 Ų10561%0.60755%0.55SS**Hα-helixtrans-69.9-49.5171.7-73.2178.816.800112.1E769 A770 S771 V775 S776 E777E769-Q773 WeakPolarHBondContact O-CG 3.31Å; E769-Q773 PolarHBondContact O-N 3.44Å; A770-Q773 WeakPolarHBondContact O-CB 3.47Å; A770-Q773 PolarHBondContact O-N 3.04Å; A770-Q773 VanDerWaalsContact O-N 3.17Å; S771-Q773 VanDerWaalsContact C-N 3.3Å; S771-Q773 PolarHBondContact O-N 2.94Å; Q773-V775 VanDerWaalsContact C-N 3.3Å; Q773-V775 PolarHBondContact O-N 2.77Å; Q773-S776 PolarHBondContact O-N 3.45Å; Q773-S776 PolarHBondContact O-OG 3.1Å; Q773-E777 PolarHBondContact O-N 3.36Å
774E57.8Low58.2Low131 Ų131105.2 Ų105.261%0.61255%0.551SS**Hα-helixtrans-59.6-39178.1-72.9-164.7151.300112.4A770 S771 S776 E777 Q778A770-E774 PolarHBondContact O-N 3.4Å; S771-E774 PolarHBondContact O-N 2.96Å; E774-S776 VanDerWaalsContact C-N 3.35Å; E774-E777 PolarHBondContact O-N 2.88Å; E774-Q778 WeakPolarHBondContact O-CB 3.36Å; E774-Q778 WeakPolarHBondContact O-CG 3.49Å; E774-Q778 PolarHBondContact O-N 3.37Å
775V61Low58.6Low82 Ų82102.2 Ų102.250%0.49755%0.546SS..Hα-helixtrans-63.9-39.7174.1170.50000111.5S771 Q773 Q778 E779S771-V775 WeakPolarHBondContact O-CG2 3.23Å; S771-V775 PolarHBondContact O-N 3.21Å; Q773-V775 VanDerWaalsContact C-N 3.3Å; Q773-V775 PolarHBondContact O-N 2.77Å; V775-Q778 PolarHBondContact O-N 3.26Å; V775-E779 PolarHBondContact O-N 2.78Å
776S61.7Low59Low66 Ų66103 Ų10346%0.46255%0.548SS..Hα-helixtrans-68.5-33.5177.378.30000113.5E772 Q773 E774 A780E772-S776 WeakPolarHBondContact O-CB 3.09Å; E772-S776 PolarHBondContact O-N 2.85Å; Q773-S776 PolarHBondContact O-N 3.45Å; Q773-S776 PolarHBondContact O-OG 3.1Å; E774-S776 VanDerWaalsContact C-N 3.35Å; S776-A780 WeakPolarHBondContact O-CB 3.34Å; S776-A780 PolarHBondContact O-N 3.12Å
777E60.5Low59.4Low147 Ų147106.7 Ų106.769%0.68756%0.558SS**Hα-helixtrans-73.7-33.5173.4-67.2-166.8160.400111.3Q773 E774 A780 S781Q773-E777 PolarHBondContact O-N 3.36Å; E774-E777 PolarHBondContact O-N 2.88Å; E777-A780 PolarHBondContact O-N 3.34Å; E777-S781 WeakPolarHBondContact O-CB 3.46Å; E777-S781 PolarHBondContact O-N 3.26Å
778Q56.9Low59.5Low120 Ų120106.1 Ų106.156%0.56156%0.555SS**Hα-helixtrans-66.7-48.2172.6-75.4178.415.300112.3E774 V775 A780 S781 E782E774-Q778 WeakPolarHBondContact O-CB 3.36Å; E774-Q778 WeakPolarHBondContact O-CG 3.49Å; E774-Q778 PolarHBondContact O-N 3.37Å; V775-Q778 PolarHBondContact O-N 3.26Å; Q778-A780 PolarHBondContact O-N 3.2Å; Q778-S781 PolarHBondContact O-N 2.82Å; Q778-S781 PolarHBondContact O-OG 2.78Å; Q778-E782 PolarHBondContact O-N 3.31Å
779E60.9Low59.8Low120 Ų120106 Ų10656%0.56155%0.554SS**Hα-helixtrans-59.2-35.2175.2-75.5-165.1158.600112.3V775 Q783V775-E779 PolarHBondContact O-N 2.78Å; E779-Q783 WeakPolarHBondContact O-CG 3.42Å; E779-Q783 PolarHBondContact O-N 3.11Å; E779-Q783 VanDerWaalsContact O-N 3.13Å
780A60.7Low60.1Low52 Ų52102 Ų10243%0.4355%0.545SS..Hα-helixtrans-66.8-41.8173.200000112.1S776 E777 Q778 Q783 E784S776-A780 WeakPolarHBondContact O-CB 3.34Å; S776-A780 PolarHBondContact O-N 3.12Å; E777-A780 PolarHBondContact O-N 3.34Å; Q778-A780 PolarHBondContact O-N 3.2Å; A780-Q783 PolarHBondContact O-N 3.37Å; A780-E784 PolarHBondContact O-N 2.91Å
781S62.9Low60.3Low65 Ų65102.7 Ų102.746%0.45555%0.547SS..Hα-helixtrans-68.3-35.3178.276.20000113.4E777 Q778 Q783 A785E777-S781 WeakPolarHBondContact O-CB 3.46Å; E777-S781 PolarHBondContact O-N 3.26Å; Q778-S781 PolarHBondContact O-N 2.82Å; Q778-S781 PolarHBondContact O-OG 2.78Å; S781-Q783 VanDerWaalsContact C-N 3.34Å; S781-A785 WeakPolarHBondContact O-CB 3.48Å; S781-A785 PolarHBondContact O-N 3.02Å
782E63.5Low60.1Low146 Ų146107 Ų10768%0.68256%0.561SS**Hα-helixtrans-69.8-33173.4-69.5-165.2157.100111.4Q778 S786Q778-E782 PolarHBondContact O-N 3.31Å; E782-S786 WeakPolarHBondContact O-CB 3.29Å; E782-S786 PolarHBondContact O-N 3.03Å; E782-S786 PolarHBondContact O-OG 3.31Å
783Q61.2Low59.8Low124 Ų124105.9 Ų105.958%0.57956%0.556SS**Hα-helixtrans-66.2-49.8171.8-75.7174.736.700111.7E779 A780 S781 A785 S786 E787E779-Q783 WeakPolarHBondContact O-CG 3.42Å; E779-Q783 PolarHBondContact O-N 3.11Å; E779-Q783 VanDerWaalsContact O-N 3.13Å; A780-Q783 PolarHBondContact O-N 3.37Å; S781-Q783 VanDerWaalsContact C-N 3.34Å; Q783-A785 VanDerWaalsContact C-N 3.29Å; Q783-A785 PolarHBondContact O-N 2.71Å; Q783-S786 PolarHBondContact O-N 3.06Å; Q783-S786 VanDerWaalsContact O-N 3.09Å; Q783-S786 PolarHBondContact O-OG 2.78Å; Q783-E787 PolarHBondContact O-N 3.23Å
784E62.9Low59.6Low131 Ų131106.1 Ų106.161%0.61256%0.557SS**Hα-helixtrans-59.8-38175.4-73.1-163.4154.800112.4A780 E787 Q788A780-E784 PolarHBondContact O-N 2.91Å; E784-E787 PolarHBondContact O-N 3.16Å; E784-Q788 WeakPolarHBondContact O-CG 3.25Å; E784-Q788 PolarHBondContact O-N 2.92Å
785A61.4Low59.1Low49 Ų49102.4 Ų102.441%0.40555%0.548SS..Hα-helixtrans-64.3-40.4173.900000112.2S781 Q783 Q788 E789S781-A785 WeakPolarHBondContact O-CB 3.48Å; S781-A785 PolarHBondContact O-N 3.02Å; Q783-A785 VanDerWaalsContact C-N 3.29Å; Q783-A785 PolarHBondContact O-N 2.71Å; A785-Q788 PolarHBondContact O-N 3.1Å; A785-E789 PolarHBondContact O-N 2.93Å
786S63.9Low58.6Low65 Ų65101.8 Ų101.846%0.45555%0.548SS..Hα-helixtrans-68.5-34.5177.776.50000113.3E782 Q783 A790E782-S786 WeakPolarHBondContact O-CB 3.29Å; E782-S786 PolarHBondContact O-N 3.03Å; E782-S786 PolarHBondContact O-OG 3.31Å; Q783-S786 PolarHBondContact O-N 3.06Å; Q783-S786 VanDerWaalsContact O-N 3.09Å; Q783-S786 PolarHBondContact O-OG 2.78Å; S786-A790 WeakPolarHBondContact O-CB 3.5Å; S786-A790 PolarHBondContact O-N 3.39Å
787E64.1Low58Low147 Ų147106 Ų10669%0.68756%0.56SS**Hα-helixtrans-70.3-33.5172.4-68-164.5158.300111.6Q783 E784 S791Q783-E787 PolarHBondContact O-N 3.23Å; E784-E787 PolarHBondContact O-N 3.16Å; E787-S791 WeakPolarHBondContact O-CB 3.47Å; E787-S791 PolarHBondContact O-N 2.82Å
788Q58.2Low57.2Low125 Ų125105 Ų10558%0.58456%0.556SS**Hα-helixtrans-66.7-50.6172.4-74175.53200111.9E784 A785 A790 S791 E792E784-Q788 WeakPolarHBondContact O-CG 3.25Å; E784-Q788 PolarHBondContact O-N 2.92Å; A785-Q788 PolarHBondContact O-N 3.1Å; Q788-A790 VanDerWaalsContact C-N 3.29Å; Q788-A790 PolarHBondContact O-N 3.32Å; Q788-S791 PolarHBondContact O-N 3.18Å; Q788-S791 PolarHBondContact O-OG 2.88Å; Q788-E792 PolarHBondContact O-N 2.78Å
789E57.8Low56.6Low132 Ų132107.4 Ų107.462%0.61757%0.567SS**Hα-helixtrans-59-38175.8-75.3-162147.500112.4A785 E792 Q793A785-E789 PolarHBondContact O-N 2.93Å; E789-E792 PolarHBondContact O-N 3.28Å; E789-Q793 WeakPolarHBondContact O-CG 3.34Å; E789-Q793 PolarHBondContact O-N 2.84Å
790A59.1Low55.6Low54 Ų54105.4 Ų105.445%0.44657%0.571SS.*Hα-helixtrans-62.6-4117400000112.2S786 Q788 Q793 E794S786-A790 WeakPolarHBondContact O-CB 3.5Å; S786-A790 PolarHBondContact O-N 3.39Å; Q788-A790 VanDerWaalsContact C-N 3.29Å; Q788-A790 PolarHBondContact O-N 3.32Å; A790-Q793 PolarHBondContact O-N 3.31Å; A790-E794 PolarHBondContact O-N 3.4Å
791S58.8Low54.7Low66 Ų66106.7 Ų106.746%0.46258%0.577SS.*Hα-helixtrans-70.8-33.8177.975.30000113.6E787 Q788 A795E787-S791 WeakPolarHBondContact O-CB 3.47Å; E787-S791 PolarHBondContact O-N 2.82Å; Q788-S791 PolarHBondContact O-N 3.18Å; Q788-S791 PolarHBondContact O-OG 2.88Å; S791-A795 WeakPolarHBondContact O-CB 3.42Å; S791-A795 PolarHBondContact O-N 3.08Å
792E54.3Low53.5Low146 Ų146111.8 Ų111.868%0.68259%0.593SS**Hα-helixtrans-70.8-33.3172.3-68.2-162.815600111.6Q788 E789 A795 S796Q788-E792 PolarHBondContact O-N 2.78Å; E789-E792 PolarHBondContact O-N 3.28Å; E792-A795 PolarHBondContact O-N 3.48Å; E792-S796 PolarHBondContact O-N 3.31Å
793Q52.9Low52.5Low126 Ų126113.9 Ų113.959%0.58960%0.603SS**Hα-helixtrans-65.9-47.5171.7-74.3178.827.700112E789 A790 A795 S796 E797E789-Q793 WeakPolarHBondContact O-CG 3.34Å; E789-Q793 PolarHBondContact O-N 2.84Å; A790-Q793 PolarHBondContact O-N 3.31Å; Q793-A795 VanDerWaalsContact C-N 3.28Å; Q793-A795 PolarHBondContact O-N 3.43Å; Q793-S796 PolarHBondContact O-N 3.13Å; Q793-S796 VanDerWaalsContact O-N 3.09Å; Q793-S796 PolarHBondContact O-OG 2.78Å; Q793-E797 PolarHBondContact O-N 3.2Å
794E51.8Low51.3Low134 Ų134112.3 Ų112.363%0.62661%0.611SS**Hα-helixtrans-60.2-36174.3-75.9-159.9150.300112.6A790 Q798A790-E794 PolarHBondContact O-N 3.4Å; E794-Q798 WeakPolarHBondContact O-CG 3.33Å; E794-Q798 PolarHBondContact O-N 3.01Å; E794-Q798 VanDerWaalsContact O-N 3.14Å
795A47Very low49.7Very low53 Ų53110.9 Ų110.944%0.43862%0.621SS.*Hα-helixtrans-64.3-41.7173.400000112S791 E792 Q793 Q798 E799S791-A795 WeakPolarHBondContact O-CB 3.42Å; S791-A795 PolarHBondContact O-N 3.08Å; E792-A795 PolarHBondContact O-N 3.48Å; Q793-A795 VanDerWaalsContact C-N 3.28Å; Q793-A795 PolarHBondContact O-N 3.43Å; A795-Q798 PolarHBondContact O-N 3.19Å; A795-E799 PolarHBondContact O-N 3.14Å
796S49.8Very low48.2Very low69 Ų69116.5 Ų116.548%0.48364%0.644SS.*Hα-helixtrans-66.5-36.2178.4790000113.3E792 Q793 Q798 A800E792-S796 PolarHBondContact O-N 3.31Å; Q793-S796 PolarHBondContact O-N 3.13Å; Q793-S796 VanDerWaalsContact O-N 3.09Å; Q793-S796 PolarHBondContact O-OG 2.78Å; S796-Q798 VanDerWaalsContact C-N 3.34Å; S796-A800 WeakPolarHBondContact O-CB 3.42Å; S796-A800 PolarHBondContact O-N 2.78Å; S796-A800 VanDerWaalsContact O-N 3.11Å
797E48.7Very low46.6Very low154 Ų154117.1 Ų117.172%0.7265%0.654SS**Hα-helixtrans-71.6-28.7174.4-67.9-157.3148.300112.2Q793Q793-E797 PolarHBondContact O-N 3.2Å
798Q45.4Very low45.1Very low128 Ų128115 Ų11560%0.59866%0.655SS**Hα-helixtrans-71.1-46.6172.9-73.4178.638.700112.1E794 A795 S796 A800 S801E794-Q798 WeakPolarHBondContact O-CG 3.33Å; E794-Q798 PolarHBondContact O-N 3.01Å; E794-Q798 VanDerWaalsContact O-N 3.14Å; A795-Q798 PolarHBondContact O-N 3.19Å; S796-Q798 VanDerWaalsContact C-N 3.34Å; Q798-A800 VanDerWaalsContact C-N 3.26Å; Q798-A800 PolarHBondContact O-N 3.03Å; Q798-S801 WeakPolarHBondContact O-CB 3.49Å; Q798-S801 PolarHBondContact O-N 2.85Å; Q798-S801 PolarHBondContact O-OG 3.12Å
799E43.6Very low43.8Very low169 Ų169116.2 Ų116.279%0.7967%0.666SS**Hα-helixtrans-63.3-31.6175.5-71.5-159.3148.700112.7A795 S801A795-E799 PolarHBondContact O-N 3.14Å; E799-S801 PolarHBondContact O-N 3.16Å
800A40Very low42.6Very low79 Ų79115.7 Ų115.765%0.65367%0.672SS**THydrogen-bonded Turntrans-65.7-16.5172.700000113.8S796 Q798S796-A800 WeakPolarHBondContact O-CB 3.42Å; S796-A800 PolarHBondContact O-N 2.78Å; S796-A800 VanDerWaalsContact O-N 3.11Å; Q798-A800 VanDerWaalsContact C-N 3.26Å; Q798-A800 PolarHBondContact O-N 3.03Å
801S40.8Very low41.4Very low78 Ų78121.5 Ų121.555%0.54569%0.689SS.*THydrogen-bonded Turntrans-91.4-24.5-173.778.10000115.2Q798 E799 H803Q798-S801 WeakPolarHBondContact O-CB 3.49Å; Q798-S801 PolarHBondContact O-N 2.85Å; Q798-S801 PolarHBondContact O-OG 3.12Å; E799-S801 PolarHBondContact O-N 3.16Å; S801-H803 VanDerWaalsContact C-N 3.29Å; S801-H803 PolarHBondContact O-N 3.24Å
802E38.8Very low40.2Very low173 Ų173123.1 Ų123.181%0.80870%0.701SS**THydrogen-bonded Turntrans-80-2.6-177.5-70.5-151.5128.400114.7
803H41.4Very low39.1Very low190 Ų190125.1 Ų125.188%0.8871%0.71SS**THydrogen-bonded Turntrans-112.830.5-178.6-94.2-10.6000115.6S801S801-H803 VanDerWaalsContact C-N 3.29Å; S801-H803 PolarHBondContact O-N 3.24Å
804A36.5Very low39.1Very low91 Ų91123.8 Ų123.875%0.75271%0.713SS**  trans-143.452.4174.900000115
805A28.6Very low38Very low100 Ų100125 Ų12583%0.82672%0.722SS**  trans-142.578.9179.700000115.3
806D30.3Very low37.2Very low167 Ų167126.2 Ų126.289%0.89373%0.733SS**  trans-148.6158.5154.2-160.71.6000110.3
807A30.8Very low36.2Very low79 Ų79129.3 Ų129.365%0.65375%0.749SS**  trans70.388175.500000120.1
808S31.8Very low35.2Very low103 Ų103128.8 Ų128.872%0.7275%0.751SS**  71.1107.1126.566.40000123.8
809D31.6Very low34.4Very low149 Ų149128.2 Ų128.280%0.79776%0.76SS**  75.2138115.8-73.6-39.2000126.2
810T33.5Very low33.5Very low121 Ų121123.6 Ų123.674%0.74276%0.757SS**  trans76.4103.5152.330.60000123.1
811E33.8Very low33Very low176 Ų176125.2 Ų125.282%0.82276%0.764SS**  53.9126.5126.7-68.7-162.2139.800124.2
812S32.5Very low32.5Very low101 Ų101132 Ų13271%0.70678%0.778SS**  trans79.6104.7134.7-62.70000122.3
813Q31.7Very low32Very low187 Ų187129.7 Ų129.787%0.87477%0.771SS**  23.4154.1126.7-66.7-169.72.500122
814P52.2Low31.5Very low98 Ų98127.3 Ų127.364%0.63677%0.765SS**  cis-145.7-177.3-31.441.5-23.5000115.3
815L29.6Very low31.1Very low159 Ų159130 Ų13083%0.83277%0.767SS**  trans69.8110149.2-80.2159.9000122.5
816A29.8Very low31.2Very low79 Ų79130.5 Ų130.565%0.65376%0.764SS**  86126.5123.100000124
817T28.7Very low31Very low134 Ų134126.3 Ų126.382%0.82276%0.761SS**  trans68.995.2142.4500000122.9
818D28.3Very low30.8Very low144 Ų144131.5 Ų131.577%0.7777%0.769SS**  86.7145.8105.1-159.829.1000122.6
819C27.3Very low30.6Very low115 Ų115134 Ų13478%0.77777%0.769SS**  trans57.3129.8164.4-820000121.7
820G25Very low30.4Very low72 Ų72131.8 Ų131.874%0.74277%0.765SS**  trans173.546.3165.800000123.5
821S29.3Very low30.4Very low114 Ų114131.5 Ų131.580%0.79777%0.766SS**  trans40.6152.2146.1-56.60000125.6
822R30.8Very low29.9Very low220 Ų220129.5 Ų129.583%0.8377%0.765SS**  trans86.2127.3145.9-82.8171.1173.2161.7-0.7119.2
823N29.3Very low29.6Very low125 Ų125132 Ų13267%0.66877%0.771SS**  73.3138.272.6-71.662.8000112.5
824D30.4Very low29.3Very low139 Ų139132.6 Ų132.674%0.74377%0.774SS**  cis-159.5171-1.1-89.2-31.1000111.3
825D28.1Very low27.9Very low148 Ų148132.8 Ų132.879%0.79178%0.783SS**  114.4133.6126.8-145.69.4000122.7
826S30.8Very low27.7Very low110 Ų110134.3 Ų134.377%0.76979%0.786SS**  trans70.2130.8151.274.50000122.3
827G26.8Very low27.4Very low80 Ų80136.6 Ų136.683%0.82579%0.792SS**  trans157.570.2166.500000118.6
828F25.5Very low27.1Very low188 Ų188137.9 Ų137.983%0.82579%0.792SS**  trans-66.7154.4162.5-89.2-160.5000110.7
829Q28.4Very low26.9Very low155 Ų155136.7 Ų136.772%0.72479%0.791SS**  cis-164.1178.29.1-110.5161.3-19.700105.8
830S26.7Very low26.6Very low103 Ų103138.9 Ų138.972%0.7279%0.794SS**  cis165174.7-25.4-78.10000106.1
831P33.5Very low26.5Very low115 Ų115138.8 Ų138.875%0.74779%0.793SS**  cis-130.6157.9-1.441-25.6000115.9
832T23.5Very low26.2Very low133 Ų133138.8 Ų138.882%0.81679%0.793SS**  trans-168.9158.1145.614.90000111.8
833N25.8Very low25.8Very low153 Ų153135.4 Ų135.482%0.81879%0.792SS**  trans57.294.4164.8-61.112.9000117.7
834E26.6Very low25.7Very low201 Ų201135.1 Ų135.194%0.93980%0.797SS**PPolyproline II helixtrans-75.3157.1152.2-65.2-176.8137.300110
835A22.9Very low25.5Very low101 Ų101134.5 Ų134.584%0.83580%0.798SS**PPolyproline II helixtrans-97126.4-175.300000111.9
836E24.3Very low25.5Very low191 Ų191129.6 Ų129.689%0.89378%0.779SS**PPolyproline II helixtrans-84.1129.2162.7-71.4-170.1135.100110.1I838E836-I838 PolarHBondContact O-N 3.38Å
837T23.2Very low25.5Very low127 Ų127127.6 Ų127.678%0.77976%0.759SS**PPolyproline II helixtrans-63.7117.4171.541.40000110.1T839T837-T839 PolarHBondContact O-N 2.78Å
838I23.3Very low25.8Very low161 Ų161126.6 Ų126.683%0.82673%0.734SS**  trans-64104.8166.6-61.7175.1000107.6E836 N840E836-I838 PolarHBondContact O-N 3.38Å; I838-N840 PolarHBondContact O-N 3.01Å
839T23.5Very low26.1Very low120 Ų120118.8 Ų118.874%0.73670%0.702SS**  trans-66.8121.4170.448.70000108.7T837 G841T837-T839 PolarHBondContact O-N 2.78Å; T839-G841 PolarHBondContact O-N 2.99Å
840N22.1Very low26.4Very low160 Ų160114.1 Ų114.186%0.85668%0.682SS**  trans-57.6112.1165.2-76.8-18.3000108I838 S842I838-N840 PolarHBondContact O-N 3.01Å; N840-S842 PolarHBondContact O-N 3.34Å
841G21.2Very low26.8Very low70 Ų70109.4 Ų109.472%0.72265%0.649SS**PPolyproline II helixtrans-60.3130.5174.400000109.6T839 D843T839-G841 PolarHBondContact O-N 2.99Å; G841-D843 PolarHBondContact O-N 2.8Å
842S23.1Very low26.8Very low114 Ų114105.4 Ų105.480%0.79762%0.62SS**PPolyproline II helixtrans-66.1124.516648.20000108.9N840N840-S842 PolarHBondContact O-N 3.34Å
843D23.2Very low27.5Very low149 Ų149101.8 Ų101.880%0.79760%0.596SS**PPolyproline II helixtrans-49.2143.8164.8-76.7-49.4000109.9G841 T845G841-D843 PolarHBondContact O-N 2.8Å; D843-T845 PolarHBondContact O-N 3.36Å
844P26.6Very low28Very low120 Ų12095.9 Ų95.978%0.77956%0.564SS**PPolyproline II helixtrans-59.2124.3177.925.1-33.6000109.9A846P844-A846 PolarHBondContact O-N 3.4Å
845T26.1Very low28.2Very low125 Ų12587.5 Ų87.577%0.76753%0.526SS*.  trans-61.6109.5171.244.70000108.7D843 D847D843-T845 PolarHBondContact O-N 3.36Å; T845-D847 PolarHBondContact O-N 3.44Å
846A27.8Very low28.7Very low46 Ų4684.7 Ų84.738%0.3850%0.502SS..  trans-47.6124.3-175.400000111.9M549 P844 L848M549-A846 HydrophobicContact SD-CB 3.86Å; P844-A846 PolarHBondContact O-N 3.4Å; A846-L848 PolarHBondContact O-N 3.21Å
847D31.6Very low28.9Very low68 Ų6879.4 Ų79.436%0.36448%0.483SS..  trans-39.6117.5-163.4-79.5-72.8000114.2T845 V849 D850 V851T845-D847 PolarHBondContact O-N 3.44Å; D847-V849 VanDerWaalsContact C-N 3.32Å; D847-D850 HydrophobicContact CB-CB 3.88Å; D847-V851 WeakPolarHBondContact O-CG2 3.39Å
848L33.9Very low29.2Very low58 Ų5876.9 Ų76.930%0.30447%0.467SS..Hα-helixtrans-69-34.3173.4-78.9160.7000111.1E538 L541 Q542 A846 D850 V851 E852E538-L848 HydrophobicContact CG-CD2 4.36Å; L541-L848 HydrophobicContact CD2-CD2 4.41Å; Q542-L848 HydrophobicContact CG-CD2 4.11Å; A846-L848 PolarHBondContact O-N 3.21Å; L848-D850 PolarHBondContact O-N 3.22Å; L848-V851 PolarHBondContact O-N 3.39Å; L848-V851 VanDerWaalsContact O-N 3.12Å; L848-E852 PolarHBondContact O-N 3.26Å
849V31.8Very low29.5Very low24 Ų2472.2 Ų72.215%0.14545%0.447CS..Hα-helixtrans-61.3-44.6179.7-1780000111.3F46 D847 V851 L853F46-V849 HydrophobicContact CB-CG1 4.15Å; F46-V849 HydrophobicContact CB-CG2 4.3Å; F46-V849 HydrophobicContact CD2-CB 3.98Å; F46-V849 HydrophobicContact CD2-CG1 4.04Å; F46-V849 HydrophobicContact CD2-CG2 4.15Å; F46-V849 HydrophobicContact CG-CG1 4.26Å; D847-V849 VanDerWaalsContact C-N 3.32Å; V849-V851 PolarHBondContact O-N 3.16Å; V849-L853 PolarHBondContact O-N 3.48Å
850D34Very low29.9Very low58 Ų5869.4 Ų69.431%0.3143%0.43SS..Hα-helixtrans-60.6-35.3177.3-15739.5000110.5K489 D847 L848 L854K489-D850 WeakPolarHBondContact CE-OD2 3.36Å; K489-D850 IonicContact NZ-OD1 3.3Å; K489-D850 PolarHBondContact NZ-OD1 3.29Å; K489-D850 IonicContact NZ-OD2 3.42Å; K489-D850 PolarHBondContact NZ-OD2 3.23Å; D847-D850 HydrophobicContact CB-CB 3.88Å; L848-D850 PolarHBondContact O-N 3.22Å; D850-L854 WeakPolarHBondContact O-CD1 3.35Å; D850-L854 WeakPolarHBondContact O-CG 3.37Å
851V35.6Very low30.4Very low3 Ų363.8 Ų63.82%0.01840%0.404CS..Hα-helixtrans-86.1-33.5-176.6-173.30000114.2R492 L496 L541 D847 L848 V849 L853 L854 L855R492-V851 VanDerWaalsContact CZ-CG2 3.44Å; L496-V851 HydrophobicContact CD1-CG1 3.54Å; L541-V851 HydrophobicContact CD1-CG1 3.67Å; L541-V851 HydrophobicContact CD2-CB 4.21Å; L541-V851 HydrophobicContact CD2-CG1 3.68Å; L541-V851 HydrophobicContact CG-CG1 4.27Å; D847-V851 WeakPolarHBondContact O-CG2 3.39Å; L848-V851 PolarHBondContact O-N 3.39Å; L848-V851 VanDerWaalsContact O-N 3.12Å; V849-V851 PolarHBondContact O-N 3.16Å; V851-L853 PolarHBondContact O-N 3.45Å; V851-L854 PolarHBondContact O-N 3.31Å; V851-L855 PolarHBondContact O-N 3.34Å
852E33.6Very low31Very low32 Ų3263.3 Ų63.315%0.1538%0.383CS..Hα-helixtrans-63.6-30.6172.4-71.8-172.8156.700111.1N42 L848 L854N42-E852 PolarHBondContact ND2-OE2 3.05Å; L848-E852 PolarHBondContact O-N 3.26Å; E852-L854 VanDerWaalsContact C-N 3.27Å; E852-L854 PolarHBondContact O-N 3.42Å
853L36.8Very low31.6Very low57 Ų5759.7 Ų59.730%0.29835%0.353SS..THydrogen-bonded Turntrans-66-22.2170.2-109.1157.6000114.4P207 V849 V851P207-L853 HydrophobicContact CB-CD2 3.81Å; P207-L853 HydrophobicContact CB-CG 4.03Å; P207-L853 HydrophobicContact CG-CD2 3.71Å; P207-L853 HydrophobicContact CG-CG 4.05Å; V849-L853 PolarHBondContact O-N 3.48Å; V851-L853 PolarHBondContact O-N 3.45Å
854L36.1Very low32.2Very low29 Ų2952.8 Ų52.815%0.15232%0.319CS..THydrogen-bonded Turntrans-107.70.1-167.9-67.7164.3000114.3E493 Q497 D850 V851 E852E493-L854 HydrophobicContact CG-CB 4.18Å; E493-L854 HydrophobicContact CG-CD1 3.72Å; E493-L854 HydrophobicContact CG-CD2 4.02Å; E493-L854 HydrophobicContact CG-CG 4.17Å; Q497-L854 PolarHBondContact NE2-O 3.26Å; D850-L854 WeakPolarHBondContact O-CD1 3.35Å; D850-L854 WeakPolarHBondContact O-CG 3.37Å; V851-L854 PolarHBondContact O-N 3.31Å; E852-L854 VanDerWaalsContact C-N 3.27Å; E852-L854 PolarHBondContact O-N 3.42Å
855L32.4Very low32.7Very low25 Ų2547.3 Ų47.313%0.13128%0.28CS..  trans-92.33178.3-81.9178.7000114.6R214 L496 I500 L541 V851R214-L855 WeakPolarHBondContact CD-O 3.44Å; L496-L855 HydrophobicContact CB-CD2 4Å; I500-L855 HydrophobicContact CB-CD2 3.94Å; I500-L855 HydrophobicContact CG1-CD2 3.92Å; I500-L855 HydrophobicContact CG2-CD1 4.3Å; I500-L855 HydrophobicContact CG2-CD2 4.2Å; L541-L855 HydrophobicContact CD1-CD1 4.29Å; L541-L855 HydrophobicContact CD2-CD1 4.06Å; V851-L855 PolarHBondContact O-N 3.34Å
856A32.4Very low33.3Very low42 Ų4240.2 Ų40.235%0.34724%0.236SC..  trans-127.10-15300000114.5T210 D211T210-A856 VanDerWaalsContact CB-CB 3.48Å; T210-A856 WeakPolarHBondContact OG1-CB 3.45Å; D211-A856 WeakPolarHBondContact OD1-CB 3.46Å

Retrieved 856 of 856 residues in 636.8 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).