A0A077Z5P3_TRITR Loading...

Guanylate cyclase

AlphaFold DB , UniProt , Accession A0A077Z5P3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 980 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
1M78.8Confident88Confident29 Ų2953.8 Ų53.814%0.14324%0.244CC..  0-77.60-154.482.9-178.800113.2Y3 A4 I5 F22 V50 L285 V289 V976 L978M1-Y3 VanDerWaalsContact C-N 3.31Å; M1-Y3 PolarHBondContact O-N 2.64Å; M1-A4 WeakPolarHBondContact O-CA 3.49Å; M1-A4 WeakPolarHBondContact O-CB 3.22Å; M1-A4 PolarHBondContact O-N 3.4Å; M1-I5 HydrophobicContact CE-CD1 3.93Å; M1-I5 HydrophobicContact CG-CD1 3.8Å; M1-I5 PolarHBondContact O-N 3.19Å; M1-F22 HydrophobicContact CE-CB 4.18Å; M1-F22 HydrophobicContact CG-CB 4.39Å; M1-F22 HydrophobicContact CG-CD1 4.4Å; M1-F22 HydrophobicContact CG-CD2 4.13Å; M1-F22 HydrophobicContact CG-CG 4.04Å; M1-V50 HydrophobicContact CE-CG2 4.23Å; M1-L285 HydrophobicContact CB-CD2 4.14Å; M1-L285 HydrophobicContact CB-CG 4.44Å; M1-L285 HydrophobicContact SD-CD1 3.75Å; M1-L285 HydrophobicContact SD-CG 4.3Å; M1-V289 HydrophobicContact CE-CG2 3.44Å; M1-V289 VanDerWaalsContact CE-CG2 3.44Å; M1-V289 HydrophobicContact CG-CG2 4.47Å; M1-V289 HydrophobicContact SD-CG2 3.31Å; M1-V289 WeakPolarHBondContact SD-CG2 3.26Å; M1-V976 HydrophobicContact CB-CG1 4.12Å; M1-V976 HydrophobicContact CE-CG1 3.79Å; M1-V976 HydrophobicContact CG-CG1 3.51Å; M1-V976 HydrophobicContact SD-CB 4.08Å; M1-V976 HydrophobicContact SD-CG1 3.48Å; M1-V976 WeakPolarHBondContact SD-CG1 3.38Å; M1-L978 HydrophobicContact CE-CD1 4.19Å; M1-L978 HydrophobicContact CE-CD2 3.28Å; M1-L978 HydrophobicContact CE-CG 3.51Å
2R82.4Confident87.9Confident146 Ų14661.2 Ų61.255%0.55129%0.287SS*.Hα-helixtrans-51.6-48.5-170.9-170.2-178.3-125167-6.5113.1A4 I5 E6 F22 F264R2-A4 VanDerWaalsContact C-N 3.31Å; R2-A4 PolarHBondContact O-N 3.48Å; R2-I5 PolarHBondContact O-N 3.42Å; R2-E6 PolarHBondContact O-N 3Å; R2-F22 HydrophobicContact CB-CE1 4.15Å; R2-F22 HydrophobicContact CB-CZ 4.25Å; R2-F22 HydrophobicContact CG-CE1 4.31Å; R2-F264 HydrophobicContact CB-CD1 4.43Å; R2-F264 HydrophobicContact CG-CD1 4.08Å; R2-F264 HydrophobicContact CG-CE1 4.42Å
3Y84.1Confident88.1Confident25 Ų2568.9 Ų68.910%0.09832%0.323CS..Hα-helixtrans-57.5-39.8175.6-177.2-107.7000113.7M1 K7 D260 T261 F264 Y286 M324M1-Y3 VanDerWaalsContact C-N 3.31Å; M1-Y3 PolarHBondContact O-N 2.64Å; Y3-K7 HydrophobicContact CE1-CG 4.2Å; Y3-K7 HydrophobicContact CE2-CG 4.49Å; Y3-K7 WeakPolarHBondContact O-CB 3.22Å; Y3-K7 WeakPolarHBondContact O-CG 3.35Å; Y3-K7 PolarHBondContact O-N 2.89Å; Y3-K7 WeakPolarHBondContact OH-CE 3.34Å; Y3-D260 HydrophobicContact CE2-CB 4.13Å; Y3-T261 HydrophobicContact CD1-CG2 3.84Å; Y3-T261 HydrophobicContact CE1-CG2 4.15Å; Y3-T261 HydrophobicContact CG-CG2 4.08Å; Y3-F264 HydrophobicContact CD2-CD2 4.05Å; Y3-F264 AromaticContact CD2-CE2 3.54Å; Y3-F264 HydrophobicContact CD2-CE2 3.54Å; Y3-F264 HydrophobicContact CD2-CZ 4.18Å; Y3-F264 HydrophobicContact CE2-CE2 4.3Å; Y3-F264 HydrophobicContact CG-CE2 4.42Å; Y3-Y286 AromaticContact CD1-CD2 3.94Å; Y3-Y286 HydrophobicContact CD1-CD2 3.94Å; Y3-Y286 AromaticContact CD1-CE2 3.73Å; Y3-Y286 HydrophobicContact CD1-CE2 3.73Å; Y3-Y286 HydrophobicContact CE1-CD2 4.45Å; Y3-Y286 AromaticContact CE1-CE2 3.89Å; Y3-Y286 HydrophobicContact CE1-CE2 3.89Å; Y3-M324 HydrophobicContact CD1-CE 4.37Å; Y3-M324 HydrophobicContact CE1-CE 4.17Å
4A87.5Confident88.2Confident0 Ų065.1 Ų65.10%031%0.305CS..Hα-helixtrans-67.3-42.3177.400000111.5M1 R2 K7 V8 Y286 V289M1-A4 WeakPolarHBondContact O-CA 3.49Å; M1-A4 WeakPolarHBondContact O-CB 3.22Å; M1-A4 PolarHBondContact O-N 3.4Å; R2-A4 VanDerWaalsContact C-N 3.31Å; R2-A4 PolarHBondContact O-N 3.48Å; A4-K7 WeakPolarHBondContact O-CB 3.37Å; A4-K7 PolarHBondContact O-N 2.74Å; A4-V8 WeakPolarHBondContact O-CG2 3.43Å; A4-V8 PolarHBondContact O-N 2.92Å; A4-Y286 HydrophobicContact CB-CD2 3.47Å; A4-Y286 VanDerWaalsContact CB-CD2 3.47Å; A4-Y286 HydrophobicContact CB-CE2 3.86Å; A4-Y286 HydrophobicContact CB-CG 4.12Å; A4-V289 HydrophobicContact CB-CB 3.8Å; A4-V289 HydrophobicContact CB-CG1 3.79Å; A4-V289 HydrophobicContact CB-CG2 4.29Å
5I90.2Very high88.3Confident9 Ų961.1 Ų61.15%0.04629%0.287CS..Hα-helixtrans-64.5-45.6178-72171.6000111.1M1 R2 K7 V8 N9 L20 F22 V289 L978M1-I5 HydrophobicContact CE-CD1 3.93Å; M1-I5 HydrophobicContact CG-CD1 3.8Å; M1-I5 PolarHBondContact O-N 3.19Å; R2-I5 PolarHBondContact O-N 3.42Å; I5-K7 VanDerWaalsContact C-N 3.27Å; I5-K7 PolarHBondContact O-N 2.78Å; I5-V8 PolarHBondContact O-N 3.32Å; I5-V8 VanDerWaalsContact O-N 3.11Å; I5-N9 VanDerWaalsContact O-CG 3.28Å; I5-N9 PolarHBondContact O-N 3.33Å; I5-L20 HydrophobicContact CG2-CB 4.15Å; I5-L20 WeakPolarHBondContact CG2-O 3.28Å; I5-F22 HydrophobicContact CD1-CB 3.61Å; I5-F22 HydrophobicContact CD1-CD1 3.29Å; I5-F22 HydrophobicContact CD1-CE1 4.2Å; I5-F22 HydrophobicContact CD1-CG 3.71Å; I5-V289 HydrophobicContact CG1-CG1 4.1Å; I5-L978 HydrophobicContact CD1-CD2 3.72Å; I5-L978 HydrophobicContact CG1-CD2 4.08Å
6E88.7Confident88.3Confident66 Ų6662.3 Ų62.331%0.30830%0.302SS..Hα-helixtrans-59.2-41.4174.6-74.5175.9-164.900110.9R2 V8 N9 E10 F264R2-E6 PolarHBondContact O-N 3Å; E6-V8 VanDerWaalsContact C-N 3.33Å; E6-V8 PolarHBondContact O-N 3.16Å; E6-N9 PolarHBondContact O-N 2.93Å; E6-E10 VanDerWaalsContact O-CB 3.26Å; E6-E10 WeakPolarHBondContact O-CB 3.42Å; E6-E10 WeakPolarHBondContact O-CG 3.32Å; E6-E10 PolarHBondContact O-N 3.28Å; E6-F264 VanDerWaalsContact CD-CE1 3.49Å; E6-F264 VanDerWaalsContact OE1-CE1 3.31Å; E6-F264 WeakPolarHBondContact OE1-CE1 3.44Å; E6-F264 WeakPolarHBondContact OE2-CE1 3.32Å; E6-F264 WeakPolarHBondContact OE2-CZ 3.45Å
7K88.7Confident88.2Confident78 Ų7867.1 Ų67.134%0.33933%0.329SS..Hα-helixtrans-62.8-35.8174.5-78.8-69.9173.2-152.40114.1Y3 A4 I5 E10 N11Y3-K7 HydrophobicContact CE1-CG 4.2Å; Y3-K7 HydrophobicContact CE2-CG 4.49Å; Y3-K7 WeakPolarHBondContact O-CB 3.22Å; Y3-K7 WeakPolarHBondContact O-CG 3.35Å; Y3-K7 PolarHBondContact O-N 2.89Å; Y3-K7 WeakPolarHBondContact OH-CE 3.34Å; A4-K7 WeakPolarHBondContact O-CB 3.37Å; A4-K7 PolarHBondContact O-N 2.74Å; I5-K7 VanDerWaalsContact C-N 3.27Å; I5-K7 PolarHBondContact O-N 2.78Å; K7-E10 IonicContact NZ-OE2 3.55Å; K7-N11 WeakPolarHBondContact O-CB 3.49Å; K7-N11 PolarHBondContact O-N 3Å
8V92Very high88.2Confident1 Ų169.2 Ų69.21%0.00633%0.334CS..Hα-helixtrans-68.4-50.51741740000109.9A4 I5 E6 E10 N11 L14 L15 L20 M290 A293A4-V8 WeakPolarHBondContact O-CG2 3.43Å; A4-V8 PolarHBondContact O-N 2.92Å; I5-V8 PolarHBondContact O-N 3.32Å; I5-V8 VanDerWaalsContact O-N 3.11Å; E6-V8 VanDerWaalsContact C-N 3.33Å; E6-V8 PolarHBondContact O-N 3.16Å; V8-E10 VanDerWaalsContact C-N 3.31Å; V8-E10 PolarHBondContact O-N 2.82Å; V8-N11 PolarHBondContact O-N 2.9Å; V8-L14 HydrophobicContact CB-CD2 4.49Å; V8-L14 HydrophobicContact CG1-CD2 4.13Å; V8-L14 HydrophobicContact CG1-CG 4.38Å; V8-L14 HydrophobicContact CG2-CD2 4.08Å; V8-L15 HydrophobicContact CG1-CD1 4.07Å; V8-L20 HydrophobicContact CB-CD1 4.17Å; V8-L20 HydrophobicContact CG1-CD1 3.69Å; V8-L20 HydrophobicContact CG1-CG 4.27Å; V8-L20 HydrophobicContact CG2-CD1 4.31Å; V8-M290 HydrophobicContact CG2-CE 4.31Å; V8-M290 HydrophobicContact CG2-SD 3.74Å; V8-A293 HydrophobicContact CB-CB 4.48Å; V8-A293 HydrophobicContact CG1-CB 3.92Å; V8-A293 HydrophobicContact CG2-CB 3.66Å
9N93.1Very high88.3Confident49 Ų4972.7 Ų72.726%0.26235%0.35SS..Hα-helixtrans-68.2-27.6-176.1-62.2-10.4000113I5 E6 N11 E19 L20I5-N9 VanDerWaalsContact O-CG 3.28Å; I5-N9 PolarHBondContact O-N 3.33Å; E6-N9 PolarHBondContact O-N 2.93Å; N9-N11 VanDerWaalsContact C-N 3.32Å; N9-E19 HydrophobicContact CB-CG 4.32Å; N9-E19 WeakPolarHBondContact ND2-CG 3.23Å; N9-L20 PolarHBondContact ND2-O 3.11Å; N9-L20 PolarHBondContact OD1-N 3.5Å
10E91.2Very high88.4Confident126 Ų12669.3 Ų69.359%0.58933%0.333SS*.THydrogen-bonded Turntrans-75.5-19.4172.6-75.5175.8175.900113E6 K7 V8 N12E6-E10 VanDerWaalsContact O-CB 3.26Å; E6-E10 WeakPolarHBondContact O-CB 3.42Å; E6-E10 WeakPolarHBondContact O-CG 3.32Å; E6-E10 PolarHBondContact O-N 3.28Å; K7-E10 IonicContact NZ-OE2 3.55Å; V8-E10 VanDerWaalsContact C-N 3.31Å; V8-E10 PolarHBondContact O-N 2.82Å; E10-N12 PolarHBondContact O-N 3.46Å
11N90.9Very high88.6Confident63 Ų6370.2 Ų70.234%0.33734%0.34SS..  trans-9095.2-174.7-174.5-4.1000111.2K7 V8 N9 Q13 L14K7-N11 WeakPolarHBondContact O-CB 3.49Å; K7-N11 PolarHBondContact O-N 3Å; V8-N11 PolarHBondContact O-N 2.9Å; N9-N11 VanDerWaalsContact C-N 3.32Å; N11-Q13 PolarHBondContact O-N 3.38Å; N11-Q13 WeakPolarHBondContact OD1-CB 3.49Å; N11-Q13 PolarHBondContact OD1-N 2.9Å; N11-Q13 VanDerWaalsContact OD1-N 3.07Å; N11-L14 HydrophobicContact CB-CB 4.11Å; N11-L14 PolarHBondContact O-N 2.76Å; N11-L14 VanDerWaalsContact O-O 3.06Å
12N86.8Confident89.1Confident142 Ų14271.2 Ų71.276%0.75934%0.343SS*.THydrogen-bonded Turntrans-59.3-9.8178.5-66.7-18.8000115.3E10E10-N12 PolarHBondContact O-N 3.46Å
13Q90.9Very high89.3Confident162 Ų16266.3 Ų66.376%0.75733%0.328SS*.THydrogen-bonded Turntrans-92.2-20.7173.5-64-175.5-16.200112.6N11 H297N11-Q13 PolarHBondContact O-N 3.38Å; N11-Q13 WeakPolarHBondContact OD1-CB 3.49Å; N11-Q13 PolarHBondContact OD1-N 2.9Å; N11-Q13 VanDerWaalsContact OD1-N 3.07Å; Q13-H297 PolarHBondContact O-CE1 3.18Å; Q13-H297 VanDerWaalsContact O-CE1 3.26Å; Q13-H297 PolarHBondContact O-NE2 3.33Å
14L89.8Confident89.4Confident15 Ų1570.1 Ų70.18%0.07935%0.345CS..SBendtrans-110109.7-175.4-173.867.6000108.9V8 N11 M290 A293 H297V8-L14 HydrophobicContact CB-CD2 4.49Å; V8-L14 HydrophobicContact CG1-CD2 4.13Å; V8-L14 HydrophobicContact CG1-CG 4.38Å; V8-L14 HydrophobicContact CG2-CD2 4.08Å; N11-L14 HydrophobicContact CB-CB 4.11Å; N11-L14 PolarHBondContact O-N 2.76Å; N11-L14 VanDerWaalsContact O-O 3.06Å; L14-M290 HydrophobicContact CD2-CE 4.13Å; L14-A293 HydrophobicContact CD2-CB 4.02Å; L14-A293 HydrophobicContact CG-CB 4.46Å; L14-H297 HydrophobicContact CD1-CB 3.72Å
15L90.2Very high89.1Confident5 Ų571 Ų713%0.02635%0.353CS..SBendtrans59.353.5-176.4-58.5174.3000114.2V8 N17 Y18 L20 A293 L296 H297 I300V8-L15 HydrophobicContact CG1-CD1 4.07Å; L15-N17 PolarHBondContact O-N 3.09Å; L15-Y18 PolarHBondContact O-N 2.95Å; L15-L20 HydrophobicContact CD1-CD1 4.23Å; L15-L20 HydrophobicContact CD1-CD2 4.47Å; L15-L20 HydrophobicContact CD1-CG 4.21Å; L15-A293 HydrophobicContact CD1-CB 4.22Å; L15-L296 HydrophobicContact CD1-CD2 4.4Å; L15-L296 HydrophobicContact CD2-CD2 4.39Å; L15-L296 HydrophobicContact CD2-CG 4.16Å; L15-H297 HydrophobicContact CD2-CB 3.8Å; L15-H297 HydrophobicContact CG-CB 4.16Å; L15-H297 PolarHBondContact N-ND1 3.27Å; L15-I300 HydrophobicContact CD2-CD1 3.86Å
16P87.4Confident88.5Confident81 Ų8174.2 Ų74.253%0.52637%0.37SS..THydrogen-bonded Turntrans-58.1-22-170.222-34.5000116.7
17N87Confident88Confident144 Ų14471.1 Ų71.177%0.7736%0.355SS*.THydrogen-bonded Turntrans-1128.4-177.8-62.4-46.7000113L15L15-N17 PolarHBondContact O-N 3.09Å
18Y88.1Confident87.1Confident105 Ų10575.6 Ų75.641%0.41237%0.37SS..  trans-132.4149.2-175-59-81.8000110.2L15 I300 F980L15-Y18 PolarHBondContact O-N 2.95Å; Y18-I300 HydrophobicContact CD2-CD1 4.15Å; Y18-I300 HydrophobicContact CE2-CD1 3.88Å; Y18-I300 HydrophobicContact CE2-CG2 4.21Å; Y18-F980 AromaticContact CD1-CD1 3.93Å; Y18-F980 HydrophobicContact CD1-CD1 3.93Å; Y18-F980 AromaticContact CD1-CE1 3.29Å; Y18-F980 HydrophobicContact CD1-CE1 3.29Å; Y18-F980 HydrophobicContact CD1-CZ 4.18Å; Y18-F980 HydrophobicContact CD2-CE1 4.43Å; Y18-F980 HydrophobicContact CE1-CD1 4.45Å; Y18-F980 AromaticContact CE1-CE1 3.84Å; Y18-F980 HydrophobicContact CE1-CE1 3.84Å; Y18-F980 AromaticContact CG-CE1 3.62Å; Y18-F980 HydrophobicContact CG-CE1 3.62Å; Y18-F980 HydrophobicContact CG-CZ 4.05Å
19E89.8Confident85.9Confident136 Ų13677 Ų7764%0.63638%0.384SS*.  trans-119.3131.2175.2-166.9179175.900108.1N9N9-E19 HydrophobicContact CB-CG 4.32Å; N9-E19 WeakPolarHBondContact ND2-CG 3.23Å
20L90.9Very high84.8Confident3 Ų378.8 Ų78.82%0.01639%0.392CS..  trans-85.8133.3171.2-70.3179.9000109.7I5 V8 N9 L15 Y292 A293 F980I5-L20 HydrophobicContact CG2-CB 4.15Å; I5-L20 WeakPolarHBondContact CG2-O 3.28Å; V8-L20 HydrophobicContact CB-CD1 4.17Å; V8-L20 HydrophobicContact CG1-CD1 3.69Å; V8-L20 HydrophobicContact CG1-CG 4.27Å; V8-L20 HydrophobicContact CG2-CD1 4.31Å; N9-L20 PolarHBondContact ND2-O 3.11Å; N9-L20 PolarHBondContact OD1-N 3.5Å; L15-L20 HydrophobicContact CD1-CD1 4.23Å; L15-L20 HydrophobicContact CD1-CD2 4.47Å; L15-L20 HydrophobicContact CD1-CG 4.21Å; L20-Y292 HydrophobicContact CD2-CE1 4.08Å; L20-A293 HydrophobicContact CD1-CB 4.05Å; L20-F980 HydrophobicContact CD2-CD2 3.76Å; L20-F980 HydrophobicContact CD2-CE2 3.49Å; L20-F980 VanDerWaalsContact CD2-CE2 3.49Å
21D91.2Very high84.1Confident90 Ų9075.9 Ų75.948%0.48138%0.383SS..EExtended strand (participates in β ladder)trans-122.9169.8166.4-168.216.5000110L978 K979D21-L978 WeakPolarHBondContact O-CA 3.48Å; D21-K979 PolarHBondContact N-O 3.23Å; D21-K979 PolarHBondContact O-N 3.07Å
22F89.5Confident83.6Confident49 Ų4981.7 Ų81.722%0.21541%0.406CS..EExtended strand (participates in β ladder)trans-140.6146.317774.7-75.6000113.8M1 R2 I5 F24 V976 V977 L978M1-F22 HydrophobicContact CE-CB 4.18Å; M1-F22 HydrophobicContact CG-CB 4.39Å; M1-F22 HydrophobicContact CG-CD1 4.4Å; M1-F22 HydrophobicContact CG-CD2 4.13Å; M1-F22 HydrophobicContact CG-CG 4.04Å; R2-F22 HydrophobicContact CB-CE1 4.15Å; R2-F22 HydrophobicContact CB-CZ 4.25Å; R2-F22 HydrophobicContact CG-CE1 4.31Å; I5-F22 HydrophobicContact CD1-CB 3.61Å; I5-F22 HydrophobicContact CD1-CD1 3.29Å; I5-F22 HydrophobicContact CD1-CE1 4.2Å; I5-F22 HydrophobicContact CD1-CG 3.71Å; F22-F24 HydrophobicContact CE2-CD1 4.25Å; F22-V976 HydrophobicContact CB-CG1 4.27Å; F22-V976 HydrophobicContact CD2-CG1 3.61Å; F22-V976 HydrophobicContact CE2-CG1 4.37Å; F22-V976 HydrophobicContact CG-CG1 4.28Å; F22-V977 CarbonylContact C-O 3.48Å; F22-V977 WeakPolarHBondContact CA-O 3.39Å; F22-V977 WeakPolarHBondContact CB-O 3.17Å; F22-L978 HydrophobicContact CB-CD2 4.42Å
23I88.3Confident83.4Confident44 Ų4478.2 Ų78.223%0.22639%0.385CS..EExtended strand (participates in β ladder)trans-120.9150.2165.856.8171.5000108.9L41 K44 V46 V977I23-L41 HydrophobicContact CB-CD2 4.45Å; I23-L41 HydrophobicContact CD1-CD2 3.43Å; I23-L41 VanDerWaalsContact CD1-CD2 3.43Å; I23-L41 HydrophobicContact CG1-CD2 3.8Å; I23-K44 HydrophobicContact CD1-CB 3.95Å; I23-K44 HydrophobicContact CD1-CD 3.88Å; I23-V46 HydrophobicContact CD1-CG1 3.42Å; I23-V46 VanDerWaalsContact CD1-CG1 3.42Å; I23-V46 HydrophobicContact CG1-CG1 3.71Å; I23-V977 HydrophobicContact CG1-CB 4.5Å; I23-V977 PolarHBondContact N-O 3.44Å; I23-V977 WeakPolarHBondContact O-CA 3.49Å; I23-V977 PolarHBondContact O-N 3Å
24F84.4Confident83.1Confident105 Ų10570.6 Ų70.646%0.46135%0.35SS..EExtended strand (participates in β ladder)trans-132155.5-177.473.8-90.2000111.4F22 R974 T975 V976F22-F24 HydrophobicContact CE2-CD1 4.25Å; F24-R974 HydrophobicContact CD2-CB 4.45Å; F24-T975 CarbonylContact C-O 3.54Å; F24-T975 VanDerWaalsContact CA-O 3.25Å; F24-T975 WeakPolarHBondContact CA-O 3.18Å; F24-T975 VanDerWaalsContact CB-O 3.27Å; F24-T975 WeakPolarHBondContact CB-O 3.47Å; F24-V976 HydrophobicContact CB-CG1 4.36Å; F24-V976 HydrophobicContact CB-CG2 4.29Å
25A81.9Confident82.9Confident19 Ų1971.5 Ų71.516%0.15736%0.355CS..EExtended strand (participates in β ladder)trans-136138.5172.500000110A37 L41 T975A25-A37 HydrophobicContact CB-CB 3.7Å; A25-L41 HydrophobicContact CB-CD1 3.87Å; A25-L41 HydrophobicContact CB-CG 4.45Å; A25-T975 PolarHBondContact N-O 2.82Å; A25-T975 WeakPolarHBondContact O-CA 3.38Å; A25-T975 WeakPolarHBondContact O-CB 3.11Å; A25-T975 PolarHBondContact O-N 3.25Å; A25-T975 VanDerWaalsContact O-O 3.1Å
26D78.2Confident82.7Confident76 Ų7677.2 Ų77.241%0.40638%0.38SS..  trans-85.7113.4175.7179-0000109.4R28D26-R28 WeakPolarHBondContact OD1-CG 3.46Å; D26-R28 PolarHBondContact OD1-N 3.3Å
27T76.8Confident82.7Confident0 Ų073.7 Ų73.70%036%0.358CS..  trans-92.7-10.7-179.159.90000112.6G29 M30 Q33 A37 T975T27-G29 PolarHBondContact O-N 3.38Å; T27-G29 VanDerWaalsContact O-N 3.08Å; T27-M30 PolarHBondContact O-N 3.21Å; T27-Q33 WeakPolarHBondContact O-CB 3.42Å; T27-Q33 PolarHBondContact O-OE1 2.95Å; T27-A37 HydrophobicContact CG2-CB 4.04Å; T27-T975 WeakPolarHBondContact CG2-OG1 3.48Å; T27-T975 PolarHBondContact OG1-OG1 3.27Å
28R70.3Confident82.7Confident172 Ų17266.9 Ų66.965%0.64932%0.322SS*.THydrogen-bonded Turntrans51.128.2-178.3-54.5-178.3179.3178.62.4114.3D26 M30D26-R28 WeakPolarHBondContact OD1-CG 3.46Å; D26-R28 PolarHBondContact OD1-N 3.3Å; R28-M30 HydrophobicContact CB-CE 3.76Å; R28-M30 PolarHBondContact O-N 2.94Å
29G66.8Low82.8Confident30 Ų3065.7 Ų65.731%0.30932%0.321SS..THydrogen-bonded Turntrans6317.3-175.900000114.6T27T27-G29 PolarHBondContact O-N 3.38Å; T27-G29 VanDerWaalsContact O-N 3.08Å
30M71.2Confident82.8Confident87 Ų8763.2 Ų63.243%0.42931%0.309SS..  trans-104.1118.9-179.9-74.7-174.3-83.500111.1T27 R28 K32 Q33 S34T27-M30 PolarHBondContact O-N 3.21Å; R28-M30 HydrophobicContact CB-CE 3.76Å; R28-M30 PolarHBondContact O-N 2.94Å; M30-K32 VanDerWaalsContact C-N 3.28Å; M30-K32 PolarHBondContact O-N 2.77Å; M30-K32 VanDerWaalsContact O-N 3.14Å; M30-Q33 HydrophobicContact CB-CB 4.23Å; M30-Q33 HydrophobicContact CB-CG 4.19Å; M30-Q33 HydrophobicContact CE-CG 4.25Å; M30-Q33 PolarHBondContact O-N 2.92Å; M30-S34 PolarHBondContact O-N 2.73Å
31T75.7Confident82.7Confident65 Ų6563.3 Ų63.340%0.39931%0.309SS..Hα-helixtrans-49-45.4-179.4-47.40000112.8Q33 S34 V35 S55T31-Q33 VanDerWaalsContact C-N 3.34Å; T31-Q33 PolarHBondContact O-N 2.71Å; T31-S34 WeakPolarHBondContact O-CB 3.43Å; T31-S34 PolarHBondContact O-N 3Å; T31-V35 HydrophobicContact CG2-CG2 4.49Å; T31-V35 WeakPolarHBondContact O-CG2 3.19Å; T31-V35 PolarHBondContact O-N 2.98Å; T31-S55 WeakPolarHBondContact CB-OG 3.27Å; T31-S55 WeakPolarHBondContact CG2-OG 3.44Å; T31-S55 PolarHBondContact OG1-OG 2.8Å
32K80.5Confident82.6Confident186 Ų18663.9 Ų63.981%0.80931%0.305SS*.Hα-helixtrans-62.6-37.9179.1-175.5176.6179.31770113.2M30 K36M30-K32 VanDerWaalsContact C-N 3.28Å; M30-K32 PolarHBondContact O-N 2.77Å; M30-K32 VanDerWaalsContact O-N 3.14Å; K32-K36 PolarHBondContact O-N 3.11Å
33Q83.2Confident82.6Confident69 Ų6969 Ų6932%0.32233%0.33SS..Hα-helixtrans-75.5-35.9177.7-67.3-169-4.600111.2T27 M30 T31 K36 A37T27-Q33 WeakPolarHBondContact O-CB 3.42Å; T27-Q33 PolarHBondContact O-OE1 2.95Å; M30-Q33 HydrophobicContact CB-CB 4.23Å; M30-Q33 HydrophobicContact CB-CG 4.19Å; M30-Q33 HydrophobicContact CE-CG 4.25Å; M30-Q33 PolarHBondContact O-N 2.92Å; T31-Q33 VanDerWaalsContact C-N 3.34Å; T31-Q33 PolarHBondContact O-N 2.71Å; Q33-K36 PolarHBondContact O-N 3.14Å; Q33-A37 VanDerWaalsContact O-CB 3.31Å; Q33-A37 WeakPolarHBondContact O-CB 3.46Å; Q33-A37 PolarHBondContact O-N 2.88Å
34S83.7Confident82.7Confident2 Ų273.2 Ų73.21%0.01435%0.346CS..Hα-helixtrans-60.8-51.6174.8178.50000112.2M30 T31 K36 A37 T38 P52 E59M30-S34 PolarHBondContact O-N 2.73Å; T31-S34 WeakPolarHBondContact O-CB 3.43Å; T31-S34 PolarHBondContact O-N 3Å; S34-K36 VanDerWaalsContact C-N 3.32Å; S34-K36 PolarHBondContact O-N 2.98Å; S34-A37 PolarHBondContact O-N 2.89Å; S34-T38 PolarHBondContact O-N 3.17Å; S34-T38 PolarHBondContact O-OG1 3.2Å; S34-P52 WeakPolarHBondContact OG-CB 3.5Å; S34-P52 VanDerWaalsContact OG-CG 3.29Å; S34-P52 WeakPolarHBondContact OG-CG 3.44Å; S34-E59 WeakPolarHBondContact CB-OE1 3.4Å; S34-E59 VanDerWaalsContact OG-CD 3.27Å; S34-E59 PolarHBondContact OG-OE1 3.48Å
35V85.8Confident82.9Confident33 Ų3370.5 Ų70.520%0.235%0.348CS..Hα-helixtrans-56-46.7174.4173.30000111.5T31 A37 T38 M39 T58 E59 M62T31-V35 HydrophobicContact CG2-CG2 4.49Å; T31-V35 WeakPolarHBondContact O-CG2 3.19Å; T31-V35 PolarHBondContact O-N 2.98Å; V35-A37 PolarHBondContact O-N 3.03Å; V35-T38 PolarHBondContact O-N 2.88Å; V35-M39 HydrophobicContact CG1-SD 4.27Å; V35-M39 WeakPolarHBondContact O-CG 3.49Å; V35-M39 PolarHBondContact O-N 3.5Å; V35-T58 HydrophobicContact CG2-CG2 3.56Å; V35-E59 HydrophobicContact CG2-CG 4.34Å; V35-E59 WeakPolarHBondContact CG2-OE1 3.28Å; V35-E59 PolarHBondContact N-OE1 3.46Å; V35-M62 HydrophobicContact CG1-SD 3.98Å
36K86.5Confident83.3Confident125 Ų12569.9 Ų69.954%0.54334%0.342SS..Hα-helixtrans-60.2-47.4177.9179.1178.6170.3-179.50111.7K32 Q33 S34 M39 E40K32-K36 PolarHBondContact O-N 3.11Å; Q33-K36 PolarHBondContact O-N 3.14Å; S34-K36 VanDerWaalsContact C-N 3.32Å; S34-K36 PolarHBondContact O-N 2.98Å; K36-M39 PolarHBondContact O-N 3.14Å; K36-E40 WeakPolarHBondContact CE-OE1 3.43Å; K36-E40 IonicContact NZ-OE1 3.36Å; K36-E40 WeakPolarHBondContact O-CG 3.42Å; K36-E40 PolarHBondContact O-N 3.19Å
37A87Confident83.9Confident7 Ų767.4 Ų67.46%0.05833%0.33CS..Hα-helixtrans-61.3-44.7179.100000111.3A25 T27 Q33 S34 V35 M39 E40 L41A25-A37 HydrophobicContact CB-CB 3.7Å; T27-A37 HydrophobicContact CG2-CB 4.04Å; Q33-A37 VanDerWaalsContact O-CB 3.31Å; Q33-A37 WeakPolarHBondContact O-CB 3.46Å; Q33-A37 PolarHBondContact O-N 2.88Å; S34-A37 PolarHBondContact O-N 2.89Å; V35-A37 PolarHBondContact O-N 3.03Å; A37-M39 VanDerWaalsContact C-N 3.32Å; A37-M39 PolarHBondContact O-N 3.12Å; A37-E40 PolarHBondContact O-N 3Å; A37-L41 WeakPolarHBondContact O-CB 3.3Å; A37-L41 WeakPolarHBondContact O-CG 3.41Å; A37-L41 PolarHBondContact O-N 2.94Å
38T87.6Confident84.7Confident2 Ų267.4 Ų67.41%0.01233%0.33CS..Hα-helixtrans-58.2-43.6176-58.60000111.4S34 V35 W42 F49 E59 M62S34-T38 PolarHBondContact O-N 3.17Å; S34-T38 PolarHBondContact O-OG1 3.2Å; V35-T38 PolarHBondContact O-N 2.88Å; T38-W42 WeakPolarHBondContact O-CB 3.23Å; T38-W42 PolarHBondContact O-N 3.43Å; T38-F49 HydrophobicContact CG2-CD1 4.32Å; T38-F49 HydrophobicContact CG2-CE1 3.78Å; T38-F49 HydrophobicContact CG2-CE2 4.2Å; T38-F49 HydrophobicContact CG2-CZ 3.71Å; T38-E59 HydrophobicContact CG2-CB 4.32Å; T38-E59 HydrophobicContact CG2-CG 4.46Å; T38-M62 HydrophobicContact CG2-CE 3.88Å
39M88.6Confident85.7Confident80 Ų8059.5 Ų59.539%0.39430%0.3SS..Hα-helixtrans-63.1-44.8175.1-66.4176.670.800112.8V35 K36 A37 W42 Q43 M62V35-M39 HydrophobicContact CG1-SD 4.27Å; V35-M39 WeakPolarHBondContact O-CG 3.49Å; V35-M39 PolarHBondContact O-N 3.5Å; K36-M39 PolarHBondContact O-N 3.14Å; A37-M39 VanDerWaalsContact C-N 3.32Å; A37-M39 PolarHBondContact O-N 3.12Å; M39-W42 PolarHBondContact O-N 3.44Å; M39-Q43 WeakPolarHBondContact O-CG 3.17Å; M39-Q43 PolarHBondContact O-N 3.39Å; M39-M62 HydrophobicContact CB-CE 4.43Å; M39-M62 HydrophobicContact CG-CE 3.38Å
40E90.3Very high86.9Confident84 Ų8458.1 Ų58.139%0.39329%0.286SS..Hα-helixtrans-66.9-38.1-179.7-73.6178.6173.400112.3K36 A37 Q43 K44K36-E40 WeakPolarHBondContact CE-OE1 3.43Å; K36-E40 IonicContact NZ-OE1 3.36Å; K36-E40 WeakPolarHBondContact O-CG 3.42Å; K36-E40 PolarHBondContact O-N 3.19Å; A37-E40 PolarHBondContact O-N 3Å; E40-Q43 PolarHBondContact O-N 3.33Å; E40-K44 WeakPolarHBondContact O-CG 3.15Å; E40-K44 PolarHBondContact O-N 3.4Å
41L89.2Confident87.5Confident4 Ų454 Ų542%0.02127%0.266CS..Hα-helixtrans-71.6-40177.4-64.6173.6000110.8I23 A25 A37 Q43 K44 V46 F49 V977I23-L41 HydrophobicContact CB-CD2 4.45Å; I23-L41 HydrophobicContact CD1-CD2 3.43Å; I23-L41 VanDerWaalsContact CD1-CD2 3.43Å; I23-L41 HydrophobicContact CG1-CD2 3.8Å; A25-L41 HydrophobicContact CB-CD1 3.87Å; A25-L41 HydrophobicContact CB-CG 4.45Å; A37-L41 WeakPolarHBondContact O-CB 3.3Å; A37-L41 WeakPolarHBondContact O-CG 3.41Å; A37-L41 PolarHBondContact O-N 2.94Å; L41-Q43 VanDerWaalsContact C-N 3.31Å; L41-Q43 PolarHBondContact O-N 3.43Å; L41-K44 HydrophobicContact CD2-CD 4.44Å; L41-K44 WeakPolarHBondContact O-CA 3.27Å; L41-K44 WeakPolarHBondContact O-CB 3.15Å; L41-K44 PolarHBondContact O-N 3.09Å; L41-V46 VanDerWaalsContact C-CG2 3.47Å; L41-V46 HydrophobicContact CB-CG1 4.28Å; L41-V46 HydrophobicContact CB-CG2 4.31Å; L41-V46 WeakPolarHBondContact O-CG1 3.36Å; L41-V46 WeakPolarHBondContact O-CG2 3.4Å; L41-F49 HydrophobicContact CB-CE1 4.18Å; L41-V977 HydrophobicContact CB-CG2 4.45Å; L41-V977 HydrophobicContact CD1-CB 4.07Å; L41-V977 HydrophobicContact CD1-CG2 3.34Å; L41-V977 HydrophobicContact CG-CG2 4.43Å
42W88.3Confident87.6Confident102 Ų10250.9 Ų50.939%0.38625%0.247SC..Hα-helixtrans-54.8-46.4170.8-179.846.6000112.1T38 M39 K44 G45 F49 Q66 L68T38-W42 WeakPolarHBondContact O-CB 3.23Å; T38-W42 PolarHBondContact O-N 3.43Å; M39-W42 PolarHBondContact O-N 3.44Å; W42-K44 PolarHBondContact O-N 3.13Å; W42-G45 PolarHBondContact O-N 3.33Å; W42-F49 HydrophobicContact CB-CZ 4.18Å; W42-Q66 HydrophobicContact CD2-CG 4.44Å; W42-Q66 HydrophobicContact CH2-CG 4.36Å; W42-Q66 HydrophobicContact CZ2-CG 3.81Å; W42-L68 HydrophobicContact CG-CD1 4.46Å
43Q89.6Confident86.9Confident158 Ų15842.9 Ų42.974%0.73821%0.212SC*.Hα-helixtrans-61.4-25.8175.8-76-177.4-6.200114M39 E40 L41 G45M39-Q43 WeakPolarHBondContact O-CG 3.17Å; M39-Q43 PolarHBondContact O-N 3.39Å; E40-Q43 PolarHBondContact O-N 3.33Å; L41-Q43 VanDerWaalsContact C-N 3.31Å; L41-Q43 PolarHBondContact O-N 3.43Å; Q43-G45 PolarHBondContact O-N 2.85Å
44K90.2Very high86.1Confident131 Ų13142.4 Ų42.457%0.5721%0.212SC*.THydrogen-bonded Turntrans-79.92.3176-70.7175-177.8176.90113.7I23 E40 L41 W42I23-K44 HydrophobicContact CD1-CB 3.95Å; I23-K44 HydrophobicContact CD1-CD 3.88Å; E40-K44 WeakPolarHBondContact O-CG 3.15Å; E40-K44 PolarHBondContact O-N 3.4Å; L41-K44 HydrophobicContact CD2-CD 4.44Å; L41-K44 WeakPolarHBondContact O-CA 3.27Å; L41-K44 WeakPolarHBondContact O-CB 3.15Å; L41-K44 PolarHBondContact O-N 3.09Å; W42-K44 PolarHBondContact O-N 3.13Å
45G89.5Confident85.5Confident48 Ų4844 Ų4450%0.49522%0.223SC..THydrogen-bonded Turntrans80.529.6175.200000114W42 Q43W42-G45 PolarHBondContact O-N 3.33Å; Q43-G45 PolarHBondContact O-N 2.85Å
46V90.1Very high85.3Confident6 Ų642.5 Ų42.54%0.03621%0.214CC..  trans-65.6147.3172-63.30000111.5I23 L41 F49 V977I23-V46 HydrophobicContact CD1-CG1 3.42Å; I23-V46 VanDerWaalsContact CD1-CG1 3.42Å; I23-V46 HydrophobicContact CG1-CG1 3.71Å; L41-V46 VanDerWaalsContact C-CG2 3.47Å; L41-V46 HydrophobicContact CB-CG1 4.28Å; L41-V46 HydrophobicContact CB-CG2 4.31Å; L41-V46 WeakPolarHBondContact O-CG1 3.36Å; L41-V46 WeakPolarHBondContact O-CG2 3.4Å; V46-F49 HydrophobicContact CG2-CE1 3.93Å; V46-F49 HydrophobicContact CG2-CE2 4.46Å; V46-F49 HydrophobicContact CG2-CZ 3.79Å; V46-V977 HydrophobicContact CB-CG1 3.37Å; V46-V977 HydrophobicContact CG1-CB 4.25Å; V46-V977 HydrophobicContact CG1-CG1 3.44Å; V46-V977 VanDerWaalsContact CG1-CG1 3.44Å; V46-V977 HydrophobicContact CG2-CG1 3.57Å
47T90.2Very high85.3Confident24 Ų2439.8 Ų39.815%0.14720%0.203CC..  trans-108.5-17.6-174.150.80000113.5P69 L978 F980T47-P69 VanDerWaalsContact O-CD 3.3Å; T47-P69 WeakPolarHBondContact O-CD 3.39Å; T47-L978 PolarHBondContact N-O 3.36Å; T47-L978 VanDerWaalsContact N-O 3.17Å; T47-F980 HydrophobicContact CG2-CB 3.79Å; T47-F980 PolarHBondContact OG1-N 2.83Å
48A93.5Very high85.4Confident1 Ų142.7 Ų42.71%0.00822%0.22CC..EExtended strand (participates in β ladder)trans-154.1145.9173.300000112P69 Y292 V977 L978A48-P69 WeakPolarHBondContact CA-O 3.46Å; A48-P69 HydrophobicContact CB-CB 3.98Å; A48-P69 HydrophobicContact CB-CG 4Å; A48-Y292 HydrophobicContact CB-CD2 4Å; A48-Y292 HydrophobicContact CB-CE1 4.19Å; A48-Y292 HydrophobicContact CB-CE2 3.39Å; A48-Y292 VanDerWaalsContact CB-CZ 3.47Å; A48-V977 WeakPolarHBondContact O-CG1 3.45Å; A48-L978 HydrophobicContact CB-CB 4.37Å; A48-L978 PolarHBondContact O-N 2.79Å
49F92.8Very high85.5Confident5 Ų542.6 Ų42.62%0.02222%0.22CC..EExtended strand (participates in β ladder)trans-99135.2176.7-67.9-76.5000111.8T38 L41 W42 V46 A63 L68 P69 M70 I71 V977T38-F49 HydrophobicContact CG2-CD1 4.32Å; T38-F49 HydrophobicContact CG2-CE1 3.78Å; T38-F49 HydrophobicContact CG2-CE2 4.2Å; T38-F49 HydrophobicContact CG2-CZ 3.71Å; L41-F49 HydrophobicContact CB-CE1 4.18Å; W42-F49 HydrophobicContact CB-CZ 4.18Å; V46-F49 HydrophobicContact CG2-CE1 3.93Å; V46-F49 HydrophobicContact CG2-CE2 4.46Å; V46-F49 HydrophobicContact CG2-CZ 3.79Å; F49-A63 HydrophobicContact CD2-CB 4.21Å; F49-L68 HydrophobicContact CD2-CB 4.37Å; F49-L68 HydrophobicContact CE2-CB 4.35Å; F49-L68 HydrophobicContact CE2-CD1 3.75Å; F49-P69 PolarHBondContact N-O 3.44Å; F49-M70 HydrophobicContact CB-CB 4.18Å; F49-M70 HydrophobicContact CB-CE 3.57Å; F49-M70 HydrophobicContact CB-CG 4.1Å; F49-M70 HydrophobicContact CD2-CE 4.27Å; F49-M70 HydrophobicContact CG-CE 3.91Å; F49-M70 WeakPolarHBondContact O-CA 3.38Å; F49-I71 PolarHBondContact O-N 2.87Å; F49-V977 HydrophobicContact CD1-CB 4.3Å; F49-V977 HydrophobicContact CD1-CG1 3.62Å; F49-V977 HydrophobicContact CD1-CG2 3.58Å; F49-V977 HydrophobicContact CE1-CG1 3.85Å; F49-V977 HydrophobicContact CE1-CG2 4.06Å; F49-V977 HydrophobicContact CG-CG1 4.35Å
50V91.5Very high85.6Confident1 Ų138.8 Ų38.81%0.00620%0.201CC..EExtended strand (participates in β ladder)trans-12089.9170.8-176.20000108.8M1 I71 Y73 L285 A288 V976 L978M1-V50 HydrophobicContact CE-CG2 4.23Å; V50-I71 CarbonylContact C-O 3.51Å; V50-I71 VanDerWaalsContact CA-O 3.3Å; V50-I71 WeakPolarHBondContact CA-O 3.41Å; V50-Y73 HydrophobicContact CG1-CD1 3.67Å; V50-Y73 HydrophobicContact CG1-CE1 4.26Å; V50-Y73 HydrophobicContact CG1-CG 4.47Å; V50-Y73 WeakPolarHBondContact O-CE1 3.4Å; V50-L285 HydrophobicContact CG1-CD1 3.49Å; V50-L285 VanDerWaalsContact CG1-CD1 3.49Å; V50-A288 HydrophobicContact CG1-CB 3.92Å; V50-V976 CarbonylContact C-O 3.54Å; V50-V976 VanDerWaalsContact C-O 3.27Å; V50-V976 VanDerWaalsContact CA-O 3.31Å; V50-V976 WeakPolarHBondContact CA-O 3.41Å; V50-V976 WeakPolarHBondContact CB-O 3.26Å; V50-V976 PolarHBondContact N-O 3.37Å; V50-V976 PolarHBondContact O-N 3.1Å; V50-L978 HydrophobicContact CG2-CD1 4.01Å; V50-L978 HydrophobicContact CG2-CG 4.27Å
51G84.6Confident85.7Confident1 Ų138.6 Ų38.61%0.0120%0.201CC..  trans134.8-165.4-166.800000111.7M70 I71G51-M70 VanDerWaalsContact O-CE 3.25Å; G51-M70 WeakPolarHBondContact O-CE 3.34Å; G51-M70 VanDerWaalsContact O-CG 3.32Å; G51-M70 WeakPolarHBondContact O-CG 3.39Å; G51-M70 VanDerWaalsContact O-SD 3.36Å; G51-I71 PolarHBondContact N-O 2.7Å; G51-I71 VanDerWaalsContact N-O 3.11Å
52P76.6Confident85.9Confident0 Ų040.8 Ų40.80%021%0.212CC..  cis-81.7-177.21.736.8-39.2000113.4S34 E59 T975S34-P52 WeakPolarHBondContact OG-CB 3.5Å; S34-P52 VanDerWaalsContact OG-CG 3.29Å; S34-P52 WeakPolarHBondContact OG-CG 3.44Å; P52-E59 HydrophobicContact CG-CB 3.94Å; P52-E59 HydrophobicContact CG-CG 3.84Å; P52-T975 HydrophobicContact CB-CG2 4.37Å
53E66.5Low86.1Confident17 Ų1736 Ų368%0.07919%0.194CC..SBendtrans-97.1132-179.9-44-179132.100110.3Y73 V74 F973 R974E53-Y73 PolarHBondContact OE1-OH 2.67Å; E53-V74 HydrophobicContact CB-CG1 3.72Å; E53-V74 HydrophobicContact CG-CG1 3.39Å; E53-F973 VanDerWaalsContact OE2-CA 3.3Å; E53-F973 WeakPolarHBondContact OE2-CA 3.27Å; E53-F973 WeakPolarHBondContact OE2-CB 3.32Å; E53-R974 PolarHBondContact OE1-N 3.2Å; E53-R974 PolarHBondContact OE2-N 3.25Å
54D66.3Low86.3Confident60 Ų6029.1 Ų29.132%0.32116%0.164SC..SBendtrans76.6-115.7-167.8-70.9-36.2000114.2C56 R75 C76D54-C56 PolarHBondContact O-N 3.22Å; D54-R75 CarbonylContact O-C 3.47Å; D54-R75 VanDerWaalsContact O-O 3.05Å; D54-R75 WeakPolarHBondContact OD1-CB 3.37Å; D54-R75 WeakPolarHBondContact OD1-CD 3.47Å; D54-R75 IonicContact OD1-NH1 3.71Å; D54-C76 WeakPolarHBondContact O-CA 3.45Å
55S71.1Confident86.4Confident36 Ų3624.2 Ų24.225%0.25215%0.148SC..  trans-72.4122.7-173700000110.4T31T31-S55 WeakPolarHBondContact CB-OG 3.27Å; T31-S55 WeakPolarHBondContact CG2-OG 3.44Å; T31-S55 PolarHBondContact OG1-OG 2.8Å
56C82Confident86.6Confident0 Ų025.7 Ų25.70%014%0.142CC..  trans-114.9-13.1-175.651.90000113.7D54 T58 E59 A60 C76 F90D54-C56 PolarHBondContact O-N 3.22Å; C56-T58 VanDerWaalsContact C-N 3.34Å; C56-T58 PolarHBondContact O-N 3.27Å; C56-E59 PolarHBondContact O-N 3.29Å; C56-A60 WeakPolarHBondContact O-CB 3.4Å; C56-A60 PolarHBondContact O-N 3.43Å; C56-C76 HydrophobicContact CB-CB 3.57Å; C56-C76 WeakPolarHBondContact CB-SG 3.49Å; C56-C76 WeakPolarHBondContact SG-CB 3.06Å; C56-C76 CovalentContact SG-SG 2Å; C56-C76 PolarHBondContact SG-SG 3.3Å; C56-F90 HydrophobicContact CB-CE2 4.49Å
57Q85.5Confident86.8Confident68 Ų6828 Ų2832%0.31815%0.154SC..Hα-helixtrans-55.1-47-175-76-174.13.300112.6M61 D78 A80 V81 Y87Q57-M61 VanDerWaalsContact O-CB 3.31Å; Q57-M61 WeakPolarHBondContact O-CB 3.42Å; Q57-M61 PolarHBondContact O-N 3.47Å; Q57-D78 HydrophobicContact CG-CB 3.96Å; Q57-D78 VanDerWaalsContact CG-CG 3.5Å; Q57-D78 WeakPolarHBondContact CG-OD2 3.45Å; Q57-D78 PolarHBondContact NE2-OD1 2.94Å; Q57-D78 PolarHBondContact NE2-OD2 3.03Å; Q57-A80 HydrophobicContact CG-CB 4.24Å; Q57-A80 VanDerWaalsContact NE2-CB 3.26Å; Q57-V81 HydrophobicContact CB-CG1 4.48Å; Q57-V81 HydrophobicContact CG-CG1 4.09Å; Q57-Y87 WeakPolarHBondContact O-CE1 3.49Å
58T88.5Confident87Confident68 Ų6827.8 Ų27.842%0.41715%0.152SC..Hα-helixtrans-70-43.2-173-57.20000110.9V35 C56 M61 M62V35-T58 HydrophobicContact CG2-CG2 3.56Å; C56-T58 VanDerWaalsContact C-N 3.34Å; C56-T58 PolarHBondContact O-N 3.27Å; T58-M61 WeakPolarHBondContact O-CB 3.39Å; T58-M61 PolarHBondContact O-N 2.91Å; T58-M62 VanDerWaalsContact O-CG 3.32Å; T58-M62 WeakPolarHBondContact O-CG 3.35Å; T58-M62 PolarHBondContact O-N 3.2Å
59E89.7Confident87.1Confident0 Ų027.8 Ų27.80%015%0.152CC..Hα-helixtrans-74.5-35.6-178.2-59.484.1167.200111.6S34 V35 T38 P52 C56 M61 M62 A63 M70S34-E59 WeakPolarHBondContact CB-OE1 3.4Å; S34-E59 VanDerWaalsContact OG-CD 3.27Å; S34-E59 PolarHBondContact OG-OE1 3.48Å; V35-E59 HydrophobicContact CG2-CG 4.34Å; V35-E59 WeakPolarHBondContact CG2-OE1 3.28Å; V35-E59 PolarHBondContact N-OE1 3.46Å; T38-E59 HydrophobicContact CG2-CB 4.32Å; T38-E59 HydrophobicContact CG2-CG 4.46Å; P52-E59 HydrophobicContact CG-CB 3.94Å; P52-E59 HydrophobicContact CG-CG 3.84Å; C56-E59 PolarHBondContact O-N 3.29Å; E59-M61 VanDerWaalsContact C-N 3.35Å; E59-M62 WeakPolarHBondContact O-CB 3.42Å; E59-M62 PolarHBondContact O-N 3.09Å; E59-A63 WeakPolarHBondContact O-CB 3.24Å; E59-A63 PolarHBondContact O-N 3.44Å; E59-M70 HydrophobicContact CB-CE 3.85Å; E59-M70 HydrophobicContact CB-SD 4.47Å
60A91.6Very high87.2Confident0 Ų027.6 Ų27.60%015%0.151CC..Hα-helixtrans-64.3-40.7171.100000111.1C56 M62 A63 A64 M70 V81 Y87 F90C56-A60 WeakPolarHBondContact O-CB 3.4Å; C56-A60 PolarHBondContact O-N 3.43Å; A60-M62 VanDerWaalsContact C-N 3.31Å; A60-M62 PolarHBondContact O-N 3.41Å; A60-A63 PolarHBondContact O-N 3.33Å; A60-A64 WeakPolarHBondContact O-CB 3.43Å; A60-A64 PolarHBondContact O-N 3.21Å; A60-M70 VanDerWaalsContact CA-SD 3.54Å; A60-M70 HydrophobicContact CB-SD 3.94Å; A60-V81 HydrophobicContact CB-CG1 4.02Å; A60-Y87 HydrophobicContact CB-CD1 3.71Å; A60-Y87 HydrophobicContact CB-CE1 4.09Å; A60-F90 HydrophobicContact CB-CB 4.49Å; A60-F90 HydrophobicContact CB-CD2 3.63Å; A60-F90 HydrophobicContact CB-CE2 4.23Å; A60-F90 HydrophobicContact CB-CG 4.25Å
61M93.1Very high87.3Confident81 Ų8127.7 Ų27.740%0.39915%0.152SC..Hα-helixtrans-61.7-41.9173.2-175.463.570.100110.8Q57 T58 E59 A65 K86 Y87Q57-M61 VanDerWaalsContact O-CB 3.31Å; Q57-M61 WeakPolarHBondContact O-CB 3.42Å; Q57-M61 PolarHBondContact O-N 3.47Å; T58-M61 WeakPolarHBondContact O-CB 3.39Å; T58-M61 PolarHBondContact O-N 2.91Å; E59-M61 VanDerWaalsContact C-N 3.35Å; M61-A65 WeakPolarHBondContact O-CB 3.49Å; M61-A65 PolarHBondContact O-N 3.45Å; M61-K86 HydrophobicContact CE-CB 4.24Å; M61-Y87 HydrophobicContact CB-CE1 3.87Å; M61-Y87 HydrophobicContact CE-CE1 3.77Å; M61-Y87 HydrophobicContact CE-CE2 4.37Å
62M91.9Very high87.6Confident50 Ų5027.7 Ų27.725%0.24615%0.151CC..Hα-helixtrans-64.1-42.7175.7-71.6170.957.400112.5V35 T38 M39 T58 E59 A60 A65 Q66V35-M62 HydrophobicContact CG1-SD 3.98Å; T38-M62 HydrophobicContact CG2-CE 3.88Å; M39-M62 HydrophobicContact CB-CE 4.43Å; M39-M62 HydrophobicContact CG-CE 3.38Å; T58-M62 VanDerWaalsContact O-CG 3.32Å; T58-M62 WeakPolarHBondContact O-CG 3.35Å; T58-M62 PolarHBondContact O-N 3.2Å; E59-M62 WeakPolarHBondContact O-CB 3.42Å; E59-M62 PolarHBondContact O-N 3.09Å; A60-M62 VanDerWaalsContact C-N 3.31Å; A60-M62 PolarHBondContact O-N 3.41Å; M62-A65 WeakPolarHBondContact O-CB 3.33Å; M62-A65 PolarHBondContact O-N 2.96Å; M62-Q66 WeakPolarHBondContact O-CG 3.27Å; M62-Q66 PolarHBondContact O-N 3.19Å; M62-Q66 VanDerWaalsContact O-N 3.11Å
63A92.8Very high88.1Confident1 Ų128.2 Ų28.21%0.00815%0.153CC..Hα-helixtrans-63.4-48.9177.800000110.9F49 E59 A60 A65 Q66 N67 L68 M70F49-A63 HydrophobicContact CD2-CB 4.21Å; E59-A63 WeakPolarHBondContact O-CB 3.24Å; E59-A63 PolarHBondContact O-N 3.44Å; A60-A63 PolarHBondContact O-N 3.33Å; A63-A65 VanDerWaalsContact C-N 3.27Å; A63-A65 PolarHBondContact O-N 3.14Å; A63-Q66 CarbonylContact O-C 3.57Å; A63-Q66 PolarHBondContact O-N 2.82Å; A63-Q66 VanDerWaalsContact O-N 3.1Å; A63-N67 PolarHBondContact O-N 2.5Å; A63-L68 WeakPolarHBondContact CB-O 3.21Å; A63-L68 PolarHBondContact O-N 2.85Å; A63-M70 HydrophobicContact CB-CB 3.82Å; A63-M70 HydrophobicContact CB-CE 4.31Å; A63-M70 HydrophobicContact CB-SD 4.37Å
64A94.2Very high88.6Confident14 Ų1427.6 Ų27.612%0.11615%0.151CC..Hα-helixtrans-59.1-40.6174.800000111.5A60 Q66 N67 T89A60-A64 WeakPolarHBondContact O-CB 3.43Å; A60-A64 PolarHBondContact O-N 3.21Å; A64-Q66 VanDerWaalsContact C-N 3.25Å; A64-Q66 PolarHBondContact O-N 3.14Å; A64-N67 PolarHBondContact O-N 3.49Å; A64-N67 VanDerWaalsContact O-N 3.09Å; A64-T89 WeakPolarHBondContact CA-OG1 3.32Å; A64-T89 PolarHBondContact N-OG1 3.13Å
65A93.3Very high88.8Confident28 Ų2829 Ų2923%0.23115%0.152CC..Hα-helixtrans-62.8-30.1178.100000113.9M61 M62 A63 K861M61-A65 WeakPolarHBondContact O-CB 3.49Å; M61-A65 PolarHBondContact O-N 3.45Å; M62-A65 WeakPolarHBondContact O-CB 3.33Å; M62-A65 PolarHBondContact O-N 2.96Å; A63-A65 VanDerWaalsContact C-N 3.27Å; A63-A65 PolarHBondContact O-N 3.14Å; A65-K861 HydrophobicContact CB-CD 3.6Å; A65-K861 PolarHBondContact O-NZ 3.01Å
66Q92.5Very high89Confident78 Ų7827.5 Ų27.536%0.36414%0.141SC..THydrogen-bonded Turntrans-995.8176.7-62.6-57.7-33.400113.2W42 M62 A63 A64 L68W42-Q66 HydrophobicContact CD2-CG 4.44Å; W42-Q66 HydrophobicContact CH2-CG 4.36Å; W42-Q66 HydrophobicContact CZ2-CG 3.81Å; M62-Q66 WeakPolarHBondContact O-CG 3.27Å; M62-Q66 PolarHBondContact O-N 3.19Å; M62-Q66 VanDerWaalsContact O-N 3.11Å; A63-Q66 CarbonylContact O-C 3.57Å; A63-Q66 PolarHBondContact O-N 2.82Å; A63-Q66 VanDerWaalsContact O-N 3.1Å; A64-Q66 VanDerWaalsContact C-N 3.25Å; A64-Q66 PolarHBondContact O-N 3.14Å; Q66-L68 HydrophobicContact CB-CD1 3.92Å; Q66-L68 HydrophobicContact CB-CG 4.01Å; Q66-L68 PolarHBondContact O-N 3.37Å
67N95.1Very high88.3Confident54 Ų5429.8 Ų29.829%0.28915%0.151SC..THydrogen-bonded Turntrans50.940.9-171.5-164.130000113.1A63 A64 T89 N308 G309 S310A63-N67 PolarHBondContact O-N 2.5Å; A64-N67 PolarHBondContact O-N 3.49Å; A64-N67 VanDerWaalsContact O-N 3.09Å; N67-T89 WeakPolarHBondContact OD1-CG2 3.14Å; N67-N308 PolarHBondContact ND2-OD1 3.01Å; N67-G309 WeakPolarHBondContact O-CA 3.41Å; N67-G309 PolarHBondContact O-N 3.32Å; N67-G309 PolarHBondContact OD1-N 3.23Å; N67-S310 WeakPolarHBondContact OD1-CB 3.43Å; N67-S310 PolarHBondContact OD1-N 2.98Å; N67-S310 PolarHBondContact OD1-OG 3.34Å
68L94.2Very high87.6Confident20 Ų2028.3 Ų28.311%0.10515%0.146CC..  trans-100.5132.1176-68.9171.8000109.8W42 F49 A63 Q66 M70 T89W42-L68 HydrophobicContact CG-CD1 4.46Å; F49-L68 HydrophobicContact CD2-CB 4.37Å; F49-L68 HydrophobicContact CE2-CB 4.35Å; F49-L68 HydrophobicContact CE2-CD1 3.75Å; A63-L68 WeakPolarHBondContact CB-O 3.21Å; A63-L68 PolarHBondContact O-N 2.85Å; Q66-L68 HydrophobicContact CB-CD1 3.92Å; Q66-L68 HydrophobicContact CB-CG 4.01Å; Q66-L68 PolarHBondContact O-N 3.37Å; L68-M70 PolarHBondContact O-N 2.82Å; L68-T89 WeakPolarHBondContact O-CB 3.45Å; L68-T89 PolarHBondContact O-OG1 2.78Å
69P95.7Very high86.8Confident1 Ų128 Ų281%0.00614%0.139CC..  trans-55.2134.8170.1-1219.9000111.2T47 A48 F49 Y292 I312 I313T47-P69 VanDerWaalsContact O-CD 3.3Å; T47-P69 WeakPolarHBondContact O-CD 3.39Å; A48-P69 WeakPolarHBondContact CA-O 3.46Å; A48-P69 HydrophobicContact CB-CB 3.98Å; A48-P69 HydrophobicContact CB-CG 4Å; F49-P69 PolarHBondContact N-O 3.44Å; P69-Y292 HydrophobicContact CB-CD2 4.3Å; P69-Y292 HydrophobicContact CB-CE2 4.05Å; P69-Y292 HydrophobicContact CG-CE2 3.84Å; P69-I312 HydrophobicContact CG-CB 4.41Å; P69-I312 HydrophobicContact CG-CD1 3.95Å; P69-I312 HydrophobicContact CG-CG2 4.45Å; P69-I313 HydrophobicContact CB-CD1 3.98Å; P69-I313 HydrophobicContact CB-CG1 3.92Å
70M94.1Very high86.2Confident1 Ų129.8 Ų29.81%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-130.6121.4168177171.5-90.500109.8F49 G51 E59 A60 A63 L68 T89 F90 A91F49-M70 HydrophobicContact CB-CB 4.18Å; F49-M70 HydrophobicContact CB-CE 3.57Å; F49-M70 HydrophobicContact CB-CG 4.1Å; F49-M70 HydrophobicContact CD2-CE 4.27Å; F49-M70 HydrophobicContact CG-CE 3.91Å; F49-M70 WeakPolarHBondContact O-CA 3.38Å; G51-M70 VanDerWaalsContact O-CE 3.25Å; G51-M70 WeakPolarHBondContact O-CE 3.34Å; G51-M70 VanDerWaalsContact O-CG 3.32Å; G51-M70 WeakPolarHBondContact O-CG 3.39Å; G51-M70 VanDerWaalsContact O-SD 3.36Å; E59-M70 HydrophobicContact CB-CE 3.85Å; E59-M70 HydrophobicContact CB-SD 4.47Å; A60-M70 VanDerWaalsContact CA-SD 3.54Å; A60-M70 HydrophobicContact CB-SD 3.94Å; A63-M70 HydrophobicContact CB-CB 3.82Å; A63-M70 HydrophobicContact CB-CE 4.31Å; A63-M70 HydrophobicContact CB-SD 4.37Å; L68-M70 PolarHBondContact O-N 2.82Å; M70-T89 PolarHBondContact N-O 3.3Å; M70-F90 HydrophobicContact CB-CD2 4.3Å; M70-F90 HydrophobicContact CG-CD2 3.94Å; M70-F90 HydrophobicContact CG-CE2 4.17Å; M70-F90 WeakPolarHBondContact O-CA 3.49Å; M70-F90 HydrophobicContact SD-CD2 4.1Å; M70-F90 HydrophobicContact SD-CE2 4.27Å; M70-A91 PolarHBondContact O-N 3.45Å
71I94.4Very high86Confident3 Ų329.8 Ų29.82%0.01515%0.154CC..EExtended strand (participates in β ladder)trans-116.5110173.8-51.4-178.3000109.2F49 V50 G51 A91 T93 A288 I313 I316F49-I71 PolarHBondContact O-N 2.87Å; V50-I71 CarbonylContact C-O 3.51Å; V50-I71 VanDerWaalsContact CA-O 3.3Å; V50-I71 WeakPolarHBondContact CA-O 3.41Å; G51-I71 PolarHBondContact N-O 2.7Å; G51-I71 VanDerWaalsContact N-O 3.11Å; I71-A91 CarbonylContact C-O 3.59Å; I71-A91 VanDerWaalsContact CA-O 3.26Å; I71-A91 WeakPolarHBondContact CA-O 3.44Å; I71-T93 HydrophobicContact CG2-CG2 4.07Å; I71-A288 HydrophobicContact CB-CB 4.27Å; I71-A288 HydrophobicContact CG2-CB 3.65Å; I71-I313 HydrophobicContact CD1-CD1 4.46Å; I71-I313 HydrophobicContact CG1-CD1 3.9Å; I71-I316 HydrophobicContact CD1-CD1 3.54Å; I71-I316 HydrophobicContact CG1-CD1 4.38Å
72S91Very high85.5Confident1 Ų126.3 Ų26.31%0.00714%0.138CC..EExtended strand (participates in β ladder)trans-78.8136.8174.8-174.60000111C76 A91 R92 T93S72-C76 WeakPolarHBondContact OG-CB 3.48Å; S72-A91 PolarHBondContact N-O 2.96Å; S72-R92 CarbonylContact O-C 3.54Å; S72-R92 VanDerWaalsContact O-CA 3.25Å; S72-R92 WeakPolarHBondContact O-CA 3.37Å; S72-T93 PolarHBondContact O-N 3.46Å; S72-T93 PolarHBondContact O-OG1 2.89Å
73Y86.4Confident85.3Confident11 Ų1126.3 Ų26.34%0.04314%0.139CC..  trans-118.2-0.9178.973.9-86.7000113.5V50 E53 V94 Y284 L285 R974V50-Y73 HydrophobicContact CG1-CD1 3.67Å; V50-Y73 HydrophobicContact CG1-CE1 4.26Å; V50-Y73 HydrophobicContact CG1-CG 4.47Å; V50-Y73 WeakPolarHBondContact O-CE1 3.4Å; E53-Y73 PolarHBondContact OE1-OH 2.67Å; Y73-V94 VanDerWaalsContact C-CG2 3.48Å; Y73-V94 WeakPolarHBondContact O-CG2 3.47Å; Y73-Y284 WeakPolarHBondContact O-CB 3.47Å; Y73-L285 HydrophobicContact CD1-CD1 3.66Å; Y73-L285 HydrophobicContact CD2-CB 3.62Å; Y73-L285 HydrophobicContact CD2-CD1 4.04Å; Y73-L285 HydrophobicContact CD2-CG 4.28Å; Y73-L285 HydrophobicContact CE1-CD1 3.77Å; Y73-L285 HydrophobicContact CE2-CB 4.09Å; Y73-L285 HydrophobicContact CE2-CD1 4.18Å; Y73-L285 HydrophobicContact CE2-CD2 4.25Å; Y73-L285 HydrophobicContact CE2-CG 4.4Å; Y73-L285 HydrophobicContact CG-CB 3.96Å; Y73-L285 HydrophobicContact CG-CD1 3.79Å; Y73-L285 HydrophobicContact CG-CG 4.43Å; Y73-R974 PolarHBondContact OH-O 3.12Å
74V77.7Confident85.2Confident4 Ų428.1 Ų28.12%0.02415%0.147CC..SBendtrans-160.3131.1-177.463.60000113E53 C76 Y281E53-V74 HydrophobicContact CB-CG1 3.72Å; E53-V74 HydrophobicContact CG-CG1 3.39Å; V74-C76 PolarHBondContact O-N 3.23Å; V74-Y281 HydrophobicContact CB-CD1 3.85Å; V74-Y281 HydrophobicContact CB-CE1 4.27Å; V74-Y281 HydrophobicContact CB-CG 4.29Å; V74-Y281 HydrophobicContact CG2-CD1 3.55Å; V74-Y281 HydrophobicContact CG2-CD2 4.1Å; V74-Y281 HydrophobicContact CG2-CE1 3.69Å; V74-Y281 HydrophobicContact CG2-CE2 4.19Å; V74-Y281 HydrophobicContact CG2-CG 3.79Å
75R69.8Low85Confident89 Ų8933.4 Ų33.434%0.33618%0.178SC..  trans54.511.6168-65.6-173.3-175.5179.1-2.1119.2D54 F77D54-R75 CarbonylContact O-C 3.47Å; D54-R75 VanDerWaalsContact O-O 3.05Å; D54-R75 WeakPolarHBondContact OD1-CB 3.37Å; D54-R75 WeakPolarHBondContact OD1-CD 3.47Å; D54-R75 IonicContact OD1-NH1 3.71Å; R75-F77 VanDerWaalsContact C-N 3.26Å; R75-F77 HydrophobicContact CB-CD2 4.42Å; R75-F77 HydrophobicContact CB-CE2 3.81Å; R75-F77 HydrophobicContact CB-CZ 4.14Å; R75-F77 HydrophobicContact CG-CE2 3.81Å; R75-F77 HydrophobicContact CG-CZ 3.9Å; R75-F77 WeakPolarHBondContact O-CD2 3.48Å; R75-F77 PolarHBondContact O-N 2.87Å
76C75.7Confident84.8Confident6 Ų637.6 Ų37.64%0.04119%0.191CC..  trans-76.878.2166.5174.40000110.6D54 C56 S72 V74 D78 F90 R92D54-C76 WeakPolarHBondContact O-CA 3.45Å; C56-C76 HydrophobicContact CB-CB 3.57Å; C56-C76 WeakPolarHBondContact CB-SG 3.49Å; C56-C76 WeakPolarHBondContact SG-CB 3.06Å; C56-C76 CovalentContact SG-SG 2Å; C56-C76 PolarHBondContact SG-SG 3.3Å; S72-C76 WeakPolarHBondContact OG-CB 3.48Å; V74-C76 PolarHBondContact O-N 3.23Å; C76-D78 VanDerWaalsContact C-N 3.29Å; C76-F90 HydrophobicContact CB-CZ 4.48Å; C76-F90 WeakPolarHBondContact SG-CZ 3.28Å; C76-R92 PolarHBondContact O-NH1 2.99Å
77F67.6Low84.9Confident47 Ų4734.6 Ų34.621%0.20618%0.176CC..  trans-84.4-4.8-178.7-57.6-54.4000113.7R75 H79 E97R75-F77 VanDerWaalsContact C-N 3.26Å; R75-F77 HydrophobicContact CB-CD2 4.42Å; R75-F77 HydrophobicContact CB-CE2 3.81Å; R75-F77 HydrophobicContact CB-CZ 4.14Å; R75-F77 HydrophobicContact CG-CE2 3.81Å; R75-F77 HydrophobicContact CG-CZ 3.9Å; R75-F77 WeakPolarHBondContact O-CD2 3.48Å; R75-F77 PolarHBondContact O-N 2.87Å; F77-H79 PolarHBondContact O-N 3.2Å; F77-E97 HydrophobicContact CB-CB 3.91Å; F77-E97 HydrophobicContact CD1-CB 3.99Å; F77-E97 HydrophobicContact CG-CB 4.15Å
78D70.5Confident84.8Confident38 Ų3834.2 Ų34.220%0.20318%0.178CC..  trans-66123.9-171.8-133.6-47.5000111.9Q57 C76 A80 V81 R92Q57-D78 HydrophobicContact CG-CB 3.96Å; Q57-D78 VanDerWaalsContact CG-CG 3.5Å; Q57-D78 WeakPolarHBondContact CG-OD2 3.45Å; Q57-D78 PolarHBondContact NE2-OD1 2.94Å; Q57-D78 PolarHBondContact NE2-OD2 3.03Å; C76-D78 VanDerWaalsContact C-N 3.29Å; D78-A80 VanDerWaalsContact C-N 3.25Å; D78-A80 PolarHBondContact O-N 2.97Å; D78-V81 VanDerWaalsContact O-CG2 3.26Å; D78-V81 WeakPolarHBondContact O-CG2 3.15Å; D78-R92 PolarHBondContact O-NH1 3.02Å
79H71.8Confident84.9Confident60 Ų6033.3 Ų33.328%0.27817%0.173SC..G310 helixtrans-72.3-23.8179.5-170.8-104.4000111.9F77 V81 S82 L132 E139F77-H79 PolarHBondContact O-N 3.2Å; H79-V81 PolarHBondContact O-N 2.9Å; H79-S82 WeakPolarHBondContact O-CB 3.42Å; H79-S82 PolarHBondContact O-N 3.11Å; H79-S82 VanDerWaalsContact O-N 3.12Å; H79-S82 PolarHBondContact O-OG 2.76Å; H79-L132 HydrophobicContact CB-CD2 4.24Å; H79-E139 IonicContact CE1-OE2 3.3Å; H79-E139 PolarHBondContact CE1-OE2 2.89Å; H79-E139 IonicContact NE2-OE2 3.5Å
80A78Confident84.9Confident38 Ų3833.2 Ų33.231%0.31417%0.173SC..G310 helixtrans-61-30.1-17700000113.1Q57 D78 S82 D83 Y87Q57-A80 HydrophobicContact CG-CB 4.24Å; Q57-A80 VanDerWaalsContact NE2-CB 3.26Å; D78-A80 VanDerWaalsContact C-N 3.25Å; D78-A80 PolarHBondContact O-N 2.97Å; A80-S82 PolarHBondContact O-N 2.82Å; A80-D83 WeakPolarHBondContact O-CB 3.39Å; A80-D83 PolarHBondContact O-N 2.94Å; A80-Y87 HydrophobicContact CB-CE2 4.5Å; A80-Y87 WeakPolarHBondContact O-CD2 3.36Å; A80-Y87 WeakPolarHBondContact O-CE2 3.47Å
81V85.6Confident84.9Confident0 Ų033.2 Ų33.20%017%0.173CC..G310 helixtrans-74.7-9.2-179.1-59.90000114.1Q57 A60 D78 H79 D83 K84 Y87 F90Q57-V81 HydrophobicContact CB-CG1 4.48Å; Q57-V81 HydrophobicContact CG-CG1 4.09Å; A60-V81 HydrophobicContact CB-CG1 4.02Å; D78-V81 VanDerWaalsContact O-CG2 3.26Å; D78-V81 WeakPolarHBondContact O-CG2 3.15Å; H79-V81 PolarHBondContact O-N 2.9Å; V81-D83 VanDerWaalsContact C-N 3.27Å; V81-K84 PolarHBondContact O-NZ 2.93Å; V81-Y87 VanDerWaalsContact CA-CD2 3.48Å; V81-Y87 HydrophobicContact CB-CD1 4.47Å; V81-Y87 HydrophobicContact CB-CD2 4.35Å; V81-Y87 HydrophobicContact CB-CG 4.22Å; V81-Y87 HydrophobicContact CG1-CD1 4.1Å; V81-Y87 HydrophobicContact CG1-CD2 4.47Å; V81-Y87 HydrophobicContact CG1-CE1 4.01Å; V81-Y87 HydrophobicContact CG1-CE2 4.4Å; V81-Y87 HydrophobicContact CG1-CG 4.31Å; V81-Y87 WeakPolarHBondContact O-CB 3.35Å; V81-F90 HydrophobicContact CB-CD1 3.85Å; V81-F90 HydrophobicContact CB-CE1 3.98Å; V81-F90 HydrophobicContact CB-CG 4.24Å; V81-F90 HydrophobicContact CB-CZ 4.44Å; V81-F90 HydrophobicContact CG2-CD1 3.8Å; V81-F90 HydrophobicContact CG2-CE1 3.41Å; V81-F90 VanDerWaalsContact CG2-CE1 3.41Å; V81-F90 HydrophobicContact CG2-CZ 3.86Å
82S84.1Confident84.7Confident8 Ų833.2 Ų33.26%0.05617%0.172CC..G310 helixtrans-72.3-20.9171.4-57.60000112.2H79 A80 K84 R92 D336H79-S82 WeakPolarHBondContact O-CB 3.42Å; H79-S82 PolarHBondContact O-N 3.11Å; H79-S82 VanDerWaalsContact O-N 3.12Å; H79-S82 PolarHBondContact O-OG 2.76Å; A80-S82 PolarHBondContact O-N 2.82Å; S82-K84 PolarHBondContact O-N 3.3Å; S82-R92 PolarHBondContact OG-NH2 3.45Å; S82-D336 WeakPolarHBondContact CB-OD2 3.42Å; S82-D336 PolarHBondContact OG-OD1 3.49Å; S82-D336 PolarHBondContact OG-OD2 2.88Å
83D86.8Confident84.7Confident51 Ų5133.2 Ų33.227%0.27317%0.172SC..  trans-71.294.4176.8-177.8-2.7000111.4A80 V81 T85 K86 Y87A80-D83 WeakPolarHBondContact O-CB 3.39Å; A80-D83 PolarHBondContact O-N 2.94Å; V81-D83 VanDerWaalsContact C-N 3.27Å; D83-T85 PolarHBondContact O-N 2.81Å; D83-T85 VanDerWaalsContact O-N 3.16Å; D83-T85 WeakPolarHBondContact OD1-CB 3.01Å; D83-T85 PolarHBondContact OD1-N 2.81Å; D83-T85 VanDerWaalsContact OD1-N 3.1Å; D83-T85 PolarHBondContact OD1-OG1 3Å; D83-T85 PolarHBondContact OD2-OG1 2.93Å; D83-K86 PolarHBondContact O-N 3.32Å; D83-K86 WeakPolarHBondContact OD2-CD 3.47Å; D83-K86 WeakPolarHBondContact OD2-CE 3.34Å; D83-K86 IonicContact OD2-NZ 2.73Å; D83-K86 PolarHBondContact OD2-NZ 2.9Å; D83-Y87 WeakPolarHBondContact O-CD2 3.41Å; D83-Y87 PolarHBondContact O-N 3.44Å
84K90.6Very high84.7Confident38 Ų3833 Ų3317%0.16517%0.172CC..THydrogen-bonded Turntrans-68.5-10.3-178.3-59-49.8176.5-158.30114.9V81 S82 K86 Y87 F90 F317 N334V81-K84 PolarHBondContact O-NZ 2.93Å; S82-K84 PolarHBondContact O-N 3.3Å; K84-K86 PolarHBondContact O-N 3.14Å; K84-Y87 WeakPolarHBondContact CD-O 3.5Å; K84-F90 PolarHBondContact NZ-O 3.27Å; K84-F317 HydrophobicContact CD-CZ 4Å; K84-F317 HydrophobicContact CG-CE2 4.46Å; K84-F317 HydrophobicContact CG-CZ 4.31Å; K84-N334 WeakPolarHBondContact CE-O 3.21Å; K84-N334 PolarHBondContact NZ-O 3.34Å
85T89.5Confident84.8Confident126 Ų12632.9 Ų32.977%0.77317%0.171SC*.THydrogen-bonded Turntrans-69.2-25.4169.474.40000111.6D83D83-T85 PolarHBondContact O-N 2.81Å; D83-T85 VanDerWaalsContact O-N 3.16Å; D83-T85 WeakPolarHBondContact OD1-CB 3.01Å; D83-T85 PolarHBondContact OD1-N 2.81Å; D83-T85 VanDerWaalsContact OD1-N 3.1Å; D83-T85 PolarHBondContact OD1-OG1 3Å; D83-T85 PolarHBondContact OD2-OG1 2.93Å
86K90.5Very high85Confident115 Ų11528.7 Ų28.750%0.516%0.156SC..THydrogen-bonded Turntrans-107.4-37.9179.1-66175.3-168.2131.50112.9M61 D83 K84M61-K86 HydrophobicContact CE-CB 4.24Å; D83-K86 PolarHBondContact O-N 3.32Å; D83-K86 WeakPolarHBondContact OD2-CD 3.47Å; D83-K86 WeakPolarHBondContact OD2-CE 3.34Å; D83-K86 IonicContact OD2-NZ 2.73Å; D83-K86 PolarHBondContact OD2-NZ 2.9Å; K84-K86 PolarHBondContact O-N 3.14Å
87Y93.7Very high84.7Confident16 Ų1629.5 Ų29.56%0.06316%0.159CC..  trans-116.954-172-56.5-82.4000111.2Q57 A60 M61 A80 V81 D83 K84 T89 F90Q57-Y87 WeakPolarHBondContact O-CE1 3.49Å; A60-Y87 HydrophobicContact CB-CD1 3.71Å; A60-Y87 HydrophobicContact CB-CE1 4.09Å; M61-Y87 HydrophobicContact CB-CE1 3.87Å; M61-Y87 HydrophobicContact CE-CE1 3.77Å; M61-Y87 HydrophobicContact CE-CE2 4.37Å; A80-Y87 HydrophobicContact CB-CE2 4.5Å; A80-Y87 WeakPolarHBondContact O-CD2 3.36Å; A80-Y87 WeakPolarHBondContact O-CE2 3.47Å; V81-Y87 VanDerWaalsContact CA-CD2 3.48Å; V81-Y87 HydrophobicContact CB-CD1 4.47Å; V81-Y87 HydrophobicContact CB-CD2 4.35Å; V81-Y87 HydrophobicContact CB-CG 4.22Å; V81-Y87 HydrophobicContact CG1-CD1 4.1Å; V81-Y87 HydrophobicContact CG1-CD2 4.47Å; V81-Y87 HydrophobicContact CG1-CE1 4.01Å; V81-Y87 HydrophobicContact CG1-CE2 4.4Å; V81-Y87 HydrophobicContact CG1-CG 4.31Å; V81-Y87 WeakPolarHBondContact O-CB 3.35Å; D83-Y87 WeakPolarHBondContact O-CD2 3.41Å; D83-Y87 PolarHBondContact O-N 3.44Å; K84-Y87 WeakPolarHBondContact CD-O 3.5Å; Y87-T89 PolarHBondContact O-N 3.1Å; Y87-T89 VanDerWaalsContact O-N 3.11Å; Y87-F90 PolarHBondContact O-N 2.8Å
88S94Very high84.9Confident45 Ų4528.3 Ų28.332%0.31516%0.156SC..THydrogen-bonded Turntrans-63.1-16.4-172.558.60000115.3
89T95.5Very high85.2Confident1 Ų127 Ų271%0.00615%0.149CC..THydrogen-bonded Turntrans-11318.7179.869.20000113.4A64 N67 L68 M70 Y87 I313A64-T89 WeakPolarHBondContact CA-OG1 3.32Å; A64-T89 PolarHBondContact N-OG1 3.13Å; N67-T89 WeakPolarHBondContact OD1-CG2 3.14Å; L68-T89 WeakPolarHBondContact O-CB 3.45Å; L68-T89 PolarHBondContact O-OG1 2.78Å; M70-T89 PolarHBondContact N-O 3.3Å; Y87-T89 PolarHBondContact O-N 3.1Å; Y87-T89 VanDerWaalsContact O-N 3.11Å; T89-I313 WeakPolarHBondContact O-CD1 3.47Å; T89-I313 VanDerWaalsContact O-CG1 3.32Å; T89-I313 WeakPolarHBondContact O-CG1 3.39Å
90F94.9Very high85.8Confident0 Ų024.2 Ų24.20%014%0.136CC..EExtended strand (participates in β ladder)trans-104.8135.8-178.1-176-92.5000112.2C56 A60 M70 C76 V81 K84 Y87 R92C56-F90 HydrophobicContact CB-CE2 4.49Å; A60-F90 HydrophobicContact CB-CB 4.49Å; A60-F90 HydrophobicContact CB-CD2 3.63Å; A60-F90 HydrophobicContact CB-CE2 4.23Å; A60-F90 HydrophobicContact CB-CG 4.25Å; M70-F90 HydrophobicContact CB-CD2 4.3Å; M70-F90 HydrophobicContact CG-CD2 3.94Å; M70-F90 HydrophobicContact CG-CE2 4.17Å; M70-F90 WeakPolarHBondContact O-CA 3.49Å; M70-F90 HydrophobicContact SD-CD2 4.1Å; M70-F90 HydrophobicContact SD-CE2 4.27Å; C76-F90 HydrophobicContact CB-CZ 4.48Å; C76-F90 WeakPolarHBondContact SG-CZ 3.28Å; V81-F90 HydrophobicContact CB-CD1 3.85Å; V81-F90 HydrophobicContact CB-CE1 3.98Å; V81-F90 HydrophobicContact CB-CG 4.24Å; V81-F90 HydrophobicContact CB-CZ 4.44Å; V81-F90 HydrophobicContact CG2-CD1 3.8Å; V81-F90 HydrophobicContact CG2-CE1 3.41Å; V81-F90 VanDerWaalsContact CG2-CE1 3.41Å; V81-F90 HydrophobicContact CG2-CZ 3.86Å; K84-F90 PolarHBondContact NZ-O 3.27Å; Y87-F90 PolarHBondContact O-N 2.8Å; F90-R92 HydrophobicContact CE1-CB 4.08Å; F90-R92 HydrophobicContact CE1-CG 4.22Å; F90-R92 HydrophobicContact CZ-CB 4.1Å
91A94.5Very high86.1Confident1 Ų122.4 Ų22.41%0.00812%0.121CC..EExtended strand (participates in β ladder)trans-139166.7163.800000110.4M70 I71 S72 I313 G335M70-A91 PolarHBondContact O-N 3.45Å; I71-A91 CarbonylContact C-O 3.59Å; I71-A91 VanDerWaalsContact CA-O 3.26Å; I71-A91 WeakPolarHBondContact CA-O 3.44Å; S72-A91 PolarHBondContact N-O 2.96Å; A91-I313 HydrophobicContact CB-CD1 4.18Å; A91-I313 HydrophobicContact CB-CG2 4.3Å; A91-G335 CarbonylContact C-O 3.58Å; A91-G335 WeakPolarHBondContact CA-O 3.35Å
92R91.4Very high86.1Confident3 Ų324.8 Ų24.81%0.01113%0.13CC..EExtended strand (participates in β ladder)trans-142.1143174.157.7-178.3163.6-162.8-11.4112.3S72 C76 D78 S82 F90 V94 G335 D336 A337S72-R92 CarbonylContact O-C 3.54Å; S72-R92 VanDerWaalsContact O-CA 3.25Å; S72-R92 WeakPolarHBondContact O-CA 3.37Å; C76-R92 PolarHBondContact O-NH1 2.99Å; D78-R92 PolarHBondContact O-NH1 3.02Å; S82-R92 PolarHBondContact OG-NH2 3.45Å; F90-R92 HydrophobicContact CE1-CB 4.08Å; F90-R92 HydrophobicContact CE1-CG 4.22Å; F90-R92 HydrophobicContact CZ-CB 4.1Å; R92-V94 VanDerWaalsContact CD-O 3.28Å; R92-V94 WeakPolarHBondContact CD-O 3.32Å; R92-V94 WeakPolarHBondContact CG-O 3.41Å; R92-G335 PolarHBondContact N-O 3.25Å; R92-D336 IonicContact CZ-OD1 3.75Å; R92-D336 IonicContact CZ-OD2 3Å; R92-D336 IonicContact NE-OD1 3.71Å; R92-D336 PolarHBondContact NE-OD1 3.07Å; R92-D336 IonicContact NH2-OD1 2.73Å; R92-D336 PolarHBondContact NH2-OD1 3.45Å; R92-D336 IonicContact NH2-OD2 2.61Å; R92-D336 PolarHBondContact NH2-OD2 3.3Å; R92-A337 WeakPolarHBondContact O-CB 3.47Å; R92-A337 PolarHBondContact O-N 3.43Å
93T91.1Very high86.3Confident0 Ų024.4 Ų24.40%013%0.127CC..SBendtrans-92.6-16.717553.30000113.1I71 S72 Y284 D287 A288 L291 A337I71-T93 HydrophobicContact CG2-CG2 4.07Å; S72-T93 PolarHBondContact O-N 3.46Å; S72-T93 PolarHBondContact O-OG1 2.89Å; T93-Y284 WeakPolarHBondContact O-CD1 3.23Å; T93-Y284 WeakPolarHBondContact O-CE1 3.16Å; T93-Y284 PolarHBondContact OG1-O 3.5Å; T93-D287 HydrophobicContact CG2-CB 4.21Å; T93-A288 HydrophobicContact CG2-CB 3.95Å; T93-L291 HydrophobicContact CG2-CD1 3.67Å; T93-A337 WeakPolarHBondContact O-CB 3.42Å
94V85.7Confident86.5Confident7 Ų722 Ų224%0.04212%0.115CC..SBendtrans-90.7128.5169.4-179.80000108.3Y73 R92 Y217 Y281 Y284Y73-V94 VanDerWaalsContact C-CG2 3.48Å; Y73-V94 WeakPolarHBondContact O-CG2 3.47Å; R92-V94 VanDerWaalsContact CD-O 3.28Å; R92-V94 WeakPolarHBondContact CD-O 3.32Å; R92-V94 WeakPolarHBondContact CG-O 3.41Å; V94-Y217 HydrophobicContact CG1-CD2 3.85Å; V94-Y217 HydrophobicContact CG1-CE2 4.3Å; V94-Y217 HydrophobicContact CG1-CG 4.26Å; V94-Y281 HydrophobicContact CG2-CD1 4.26Å; V94-Y281 HydrophobicContact CG2-CE1 4.3Å; V94-Y284 HydrophobicContact CG2-CD1 4.1Å; V94-Y284 HydrophobicContact CG2-CD2 3.56Å; V94-Y284 HydrophobicContact CG2-CE2 4.04Å; V94-Y284 HydrophobicContact CG2-CG 3.6Å
95P80.5Confident86.3Confident1 Ų120.3 Ų20.31%0.00611%0.108CC..PPolyproline II helixtrans-58150.2176.2-25.834.5000113.4Y217 A337P95-Y217 HydrophobicContact CB-CE2 4.28Å; P95-Y217 VanDerWaalsContact CB-OH 3.31Å; P95-Y217 WeakPolarHBondContact CB-OH 3.22Å; P95-Y217 HydrophobicContact CG-CE1 3.91Å; P95-Y217 HydrophobicContact CG-CE2 4.39Å; P95-Y217 WeakPolarHBondContact CG-OH 3.42Å; P95-A337 VanDerWaalsContact CA-O 3.24Å; P95-A337 WeakPolarHBondContact CA-O 3.5Å; P95-A337 VanDerWaalsContact CB-O 3.31Å; P95-A337 WeakPolarHBondContact CB-O 3.46Å; P95-A337 HydrophobicContact CG-CB 4.12Å
96A73.8Confident86.3Confident1 Ų114.8 Ų14.81%0.0087%0.074CC..PPolyproline II helixtrans-64144.5175.700000111S98 Q99A96-S98 PolarHBondContact O-N 2.86Å; A96-Q99 HydrophobicContact CB-CG 4.22Å; A96-Q99 WeakPolarHBondContact O-CB 3.5Å; A96-Q99 PolarHBondContact O-N 2.74Å
97E69.2Low86.4Confident23 Ų239.3 Ų9.311%0.1075%0.05CC..THydrogen-bonded Turntrans-58.3-31.3173.5-179.2167-15700111.5F77 Q99 I100 P215F77-E97 HydrophobicContact CB-CB 3.91Å; F77-E97 HydrophobicContact CD1-CB 3.99Å; F77-E97 HydrophobicContact CG-CB 4.15Å; E97-Q99 PolarHBondContact O-N 3.42Å; E97-Q99 VanDerWaalsContact O-N 3.14Å; E97-I100 VanDerWaalsContact O-CG2 3.29Å; E97-I100 WeakPolarHBondContact O-CG2 3.4Å; E97-I100 PolarHBondContact O-N 3.5Å; E97-P215 HydrophobicContact CB-CB 4.45Å; E97-P215 HydrophobicContact CG-CB 3.75Å; E97-P215 HydrophobicContact CG-CG 3.87Å; E97-P215 WeakPolarHBondContact OE1-CG 3.08Å
98S70.4Confident86.2Confident22 Ų228.5 Ų8.515%0.1545%0.047CC..Hα-helixtrans-62.3-22177.4590000114.3A96 I100 S101A96-S98 PolarHBondContact O-N 2.86Å; S98-I100 VanDerWaalsContact C-N 3.35Å; S98-I100 PolarHBondContact O-N 3.15Å; S98-S101 VanDerWaalsContact O-CB 3.28Å; S98-S101 WeakPolarHBondContact O-CB 3.29Å; S98-S101 PolarHBondContact O-N 2.99Å
99Q77.4Confident85.8Confident12 Ų1210.5 Ų10.56%0.0565%0.05CC..Hα-helixtrans-71-28.3-178.7-66.8-167.8-11.200113.4A96 E97 S101 R102 A337 E338 F341A96-Q99 HydrophobicContact CB-CG 4.22Å; A96-Q99 WeakPolarHBondContact O-CB 3.5Å; A96-Q99 PolarHBondContact O-N 2.74Å; E97-Q99 PolarHBondContact O-N 3.42Å; E97-Q99 VanDerWaalsContact O-N 3.14Å; Q99-S101 PolarHBondContact O-N 3.37Å; Q99-R102 WeakPolarHBondContact O-CB 3.22Å; Q99-R102 PolarHBondContact O-N 3.09Å; Q99-A337 PolarHBondContact NE2-O 2.76Å; Q99-A337 VanDerWaalsContact NE2-O 3.07Å; Q99-A337 PolarHBondContact OE1-O 3.06Å; Q99-A337 VanDerWaalsContact OE1-O 3.07Å; Q99-E338 VanDerWaalsContact NE2-CD 3.32Å; Q99-E338 PolarHBondContact NE2-OE1 2.92Å; Q99-E338 PolarHBondContact NE2-OE2 3.35Å; Q99-F341 HydrophobicContact CB-CE2 3.92Å; Q99-F341 HydrophobicContact CB-CZ 3.97Å
100I83.8Confident85.6Confident0 Ų014.1 Ų14.10%07%0.069CC..Hα-helixtrans-64.5-26.2175.5-156.8167.7000111.5E97 S98 R102 A103 A104 F184 L213 P215 I246 F341E97-I100 VanDerWaalsContact O-CG2 3.29Å; E97-I100 WeakPolarHBondContact O-CG2 3.4Å; E97-I100 PolarHBondContact O-N 3.5Å; S98-I100 VanDerWaalsContact C-N 3.35Å; S98-I100 PolarHBondContact O-N 3.15Å; I100-R102 VanDerWaalsContact C-N 3.3Å; I100-R102 PolarHBondContact O-N 3.5Å; I100-A103 WeakPolarHBondContact O-CB 3.33Å; I100-A103 PolarHBondContact O-N 2.82Å; I100-A104 PolarHBondContact O-N 3.48Å; I100-F184 HydrophobicContact CG2-CE1 4.01Å; I100-L213 HydrophobicContact CD1-CB 4.27Å; I100-L213 HydrophobicContact CG2-CB 4.42Å; I100-P215 HydrophobicContact CD1-CB 4.44Å; I100-P215 HydrophobicContact CG2-CB 4.38Å; I100-I246 HydrophobicContact CD1-CB 4.49Å; I100-I246 HydrophobicContact CD1-CG2 4.15Å; I100-I246 HydrophobicContact CG1-CB 4.42Å; I100-I246 HydrophobicContact CG1-CG2 3.79Å; I100-F341 HydrophobicContact CB-CD1 4.25Å; I100-F341 HydrophobicContact CB-CE1 3.65Å; I100-F341 HydrophobicContact CB-CZ 3.86Å; I100-F341 HydrophobicContact CD1-CD1 4.11Å; I100-F341 HydrophobicContact CD1-CE1 4.02Å; I100-F341 HydrophobicContact CG1-CD1 3.75Å; I100-F341 HydrophobicContact CG1-CE1 3.64Å; I100-F341 HydrophobicContact CG1-CG 4.46Å; I100-F341 HydrophobicContact CG1-CZ 4.28Å
101S85Confident85.4Confident0 Ų015.8 Ų15.80%08%0.076CC..Hα-helixtrans-68-31.4176.6-53.90000111.3S98 Q99 A104 I105 S136 F137S98-S101 VanDerWaalsContact O-CB 3.28Å; S98-S101 WeakPolarHBondContact O-CB 3.29Å; S98-S101 PolarHBondContact O-N 2.99Å; Q99-S101 PolarHBondContact O-N 3.37Å; S101-A104 PolarHBondContact O-N 2.94Å; S101-I105 VanDerWaalsContact O-CG1 3.3Å; S101-I105 WeakPolarHBondContact O-CG1 3.5Å; S101-I105 PolarHBondContact O-N 2.96Å; S101-S136 WeakPolarHBondContact CB-O 3.41Å; S101-S136 VanDerWaalsContact OG-CB 3.26Å; S101-S136 WeakPolarHBondContact OG-CB 3.4Å; S101-S136 PolarHBondContact OG-O 3.3Å; S101-S136 PolarHBondContact OG-OG 3Å; S101-F137 WeakPolarHBondContact OG-CD2 3.46Å; S101-F137 WeakPolarHBondContact OG-CE2 3.37Å
102R85Confident85Confident50 Ų5020.4 Ų20.419%0.18910%0.1CC..Hα-helixtrans-62.3-45.1172.2-63.2173.371.3-165.30.9110.7Q99 I100 A104 I105 S106 P140 E338 T372 L373 P374Q99-R102 WeakPolarHBondContact O-CB 3.22Å; Q99-R102 PolarHBondContact O-N 3.09Å; I100-R102 VanDerWaalsContact C-N 3.3Å; I100-R102 PolarHBondContact O-N 3.5Å; R102-A104 PolarHBondContact O-N 3.1Å; R102-I105 PolarHBondContact O-N 2.98Å; R102-S106 PolarHBondContact O-N 2.81Å; R102-S106 PolarHBondContact O-OG 2.9Å; R102-P140 HydrophobicContact CG-CB 3.95Å; R102-P140 HydrophobicContact CG-CG 3.9Å; R102-E338 IonicContact NH1-OE1 2.79Å; R102-E338 IonicContact NH1-OE2 3.41Å; R102-E338 PolarHBondContact NH1-OE2 3.24Å; R102-T372 PolarHBondContact NE-O 3.28Å; R102-T372 PolarHBondContact NH2-O 3.22Å; R102-L373 HydrophobicContact CB-CD2 4.27Å; R102-P374 HydrophobicContact CB-CG 4.42Å
103A89.1Confident84.9Confident0 Ų020.4 Ų20.40%010%0.1CC..Hα-helixtrans-62.1-41.9175.800000112I100 S106 L107 I246 F341 F366I100-A103 WeakPolarHBondContact O-CB 3.33Å; I100-A103 PolarHBondContact O-N 2.82Å; A103-S106 WeakPolarHBondContact O-CB 3.48Å; A103-S106 PolarHBondContact O-N 2.94Å; A103-L107 PolarHBondContact O-N 2.83Å; A103-I246 HydrophobicContact CB-CD1 4.4Å; A103-I246 HydrophobicContact CB-CG2 4.06Å; A103-F341 HydrophobicContact CB-CB 4.11Å; A103-F341 HydrophobicContact CB-CD2 4Å; A103-F341 HydrophobicContact CB-CG 4.16Å; A103-F366 HydrophobicContact CB-CB 4.36Å; A103-F366 HydrophobicContact CB-CD1 3.7Å; A103-F366 HydrophobicContact CB-CD2 3.85Å; A103-F366 HydrophobicContact CB-CE1 3.86Å; A103-F366 HydrophobicContact CB-CE2 3.99Å; A103-F366 HydrophobicContact CB-CG 3.69Å; A103-F366 HydrophobicContact CB-CZ 3.99Å; A103-F366 WeakPolarHBondContact O-CE1 3.42Å; A103-F366 WeakPolarHBondContact O-CZ 3.21Å
104A90.7Very high84.5Confident0 Ų024.6 Ų24.60%012%0.116CC..Hα-helixtrans-63.1-42.5175.800000112.8I100 S101 R102 L107 L108 F137 L213 I246I100-A104 PolarHBondContact O-N 3.48Å; S101-A104 PolarHBondContact O-N 2.94Å; R102-A104 PolarHBondContact O-N 3.1Å; A104-L107 WeakPolarHBondContact O-CB 3.4Å; A104-L107 PolarHBondContact O-N 3.41Å; A104-L108 VanDerWaalsContact O-CG 3.32Å; A104-L108 WeakPolarHBondContact O-CG 3.42Å; A104-L108 PolarHBondContact O-N 2.78Å; A104-F137 HydrophobicContact CB-CE1 3.85Å; A104-F137 HydrophobicContact CB-CE2 4.46Å; A104-F137 HydrophobicContact CB-CZ 3.4Å; A104-F137 VanDerWaalsContact CB-CZ 3.4Å; A104-L213 HydrophobicContact CB-CD1 3.92Å; A104-L213 HydrophobicContact CB-CD2 3.78Å; A104-I246 HydrophobicContact CB-CD1 4.06Å
105I86.9Confident84.4Confident4 Ų425.8 Ų25.82%0.02112%0.121CC..Hα-helixtrans-64.7-40.2175.3-67.2164000110.9S101 R102 L107 L108 K109 F137 P140 I152 L373S101-I105 VanDerWaalsContact O-CG1 3.3Å; S101-I105 WeakPolarHBondContact O-CG1 3.5Å; S101-I105 PolarHBondContact O-N 2.96Å; R102-I105 PolarHBondContact O-N 2.98Å; I105-L107 VanDerWaalsContact C-N 3.28Å; I105-L107 PolarHBondContact O-N 3.04Å; I105-L108 PolarHBondContact O-N 3.4Å; I105-K109 WeakPolarHBondContact O-CB 3.43Å; I105-K109 PolarHBondContact O-N 3.04Å; I105-F137 HydrophobicContact CD1-CD1 3.87Å; I105-F137 HydrophobicContact CD1-CE1 4.35Å; I105-F137 HydrophobicContact CG1-CD1 3.67Å; I105-F137 HydrophobicContact CG1-CE1 3.73Å; I105-P140 HydrophobicContact CD1-CB 3.74Å; I105-I152 HydrophobicContact CG2-CD1 4.11Å; I105-L373 HydrophobicContact CB-CD2 4.24Å; I105-L373 HydrophobicContact CG2-CD1 3.7Å; I105-L373 HydrophobicContact CG2-CD2 4.03Å
106S89.2Confident84.7Confident9 Ų925.8 Ų25.86%0.06312%0.121CC..Hα-helixtrans-58.8-40.4172.7-66.30000112.4R102 A103 N110 P374R102-S106 PolarHBondContact O-N 2.81Å; R102-S106 PolarHBondContact O-OG 2.9Å; A103-S106 WeakPolarHBondContact O-CB 3.48Å; A103-S106 PolarHBondContact O-N 2.94Å; S106-N110 WeakPolarHBondContact O-CB 3.45Å; S106-N110 PolarHBondContact O-N 3.09Å; S106-P374 VanDerWaalsContact CB-O 3.23Å; S106-P374 WeakPolarHBondContact CB-O 3.38Å; S106-P374 VanDerWaalsContact OG-CD 3.28Å; S106-P374 WeakPolarHBondContact OG-CD 3.06Å; S106-P374 WeakPolarHBondContact OG-CG 3.27Å; S106-P374 PolarHBondContact OG-O 2.83Å
107L92Very high85.2Confident0 Ų025.8 Ų25.80%012%0.12CC..Hα-helixtrans-66.2-46.5177-177.765.9000111.9A103 A104 I105 K109 N110 Y111 I211 L244 I246 L343 F366 L376A103-L107 PolarHBondContact O-N 2.83Å; A104-L107 WeakPolarHBondContact O-CB 3.4Å; A104-L107 PolarHBondContact O-N 3.41Å; I105-L107 VanDerWaalsContact C-N 3.28Å; I105-L107 PolarHBondContact O-N 3.04Å; L107-K109 VanDerWaalsContact C-N 3.31Å; L107-K109 PolarHBondContact O-N 2.86Å; L107-N110 WeakPolarHBondContact O-CB 3.43Å; L107-N110 PolarHBondContact O-N 2.82Å; L107-Y111 HydrophobicContact CD1-CD2 3.86Å; L107-Y111 HydrophobicContact CD1-CE2 3.63Å; L107-Y111 HydrophobicContact CG-CD2 4.39Å; L107-Y111 PolarHBondContact O-N 3.12Å; L107-I211 HydrophobicContact CD2-CD1 4.09Å; L107-I211 HydrophobicContact CD2-CG1 4.41Å; L107-I211 HydrophobicContact CD2-CG2 3.9Å; L107-L244 HydrophobicContact CD2-CD1 3.97Å; L107-I246 HydrophobicContact CB-CD1 4.48Å; L107-I246 HydrophobicContact CD2-CD1 4.01Å; L107-I246 HydrophobicContact CD2-CG1 4.45Å; L107-L343 HydrophobicContact CD1-CD1 4.29Å; L107-L343 HydrophobicContact CD1-CD2 3.79Å; L107-L343 HydrophobicContact CD2-CD1 3.82Å; L107-F366 HydrophobicContact CB-CE1 4.37Å; L107-F366 HydrophobicContact CB-CZ 4.25Å; L107-L376 HydrophobicContact CD1-CD2 3.69Å
108L90.2Very high85.9Confident0 Ų024.7 Ų24.70%012%0.115CC..Hα-helixtrans-58.3-44.7176-69.5159.5000110.8A104 I105 Y111 N112 W113 F116 F137 V180 V182 I211A104-L108 VanDerWaalsContact O-CG 3.32Å; A104-L108 WeakPolarHBondContact O-CG 3.42Å; A104-L108 PolarHBondContact O-N 2.78Å; I105-L108 PolarHBondContact O-N 3.4Å; L108-Y111 PolarHBondContact O-N 2.87Å; L108-N112 PolarHBondContact O-N 3.18Å; L108-N112 VanDerWaalsContact O-N 3.1Å; L108-W113 HydrophobicContact CD2-CB 3.93Å; L108-W113 HydrophobicContact CD2-CE3 4.02Å; L108-W113 PolarHBondContact O-N 3.08Å; L108-F116 HydrophobicContact CD1-CD1 3.91Å; L108-F116 HydrophobicContact CD1-CD2 4.42Å; L108-F116 HydrophobicContact CD1-CE1 3.51Å; L108-F116 HydrophobicContact CD1-CE2 4.08Å; L108-F116 HydrophobicContact CD1-CG 4.34Å; L108-F116 HydrophobicContact CD1-CZ 3.61Å; L108-F116 HydrophobicContact CD2-CB 4.37Å; L108-F116 HydrophobicContact CD2-CD1 3.82Å; L108-F116 HydrophobicContact CD2-CE1 4.25Å; L108-F116 HydrophobicContact CD2-CG 4.11Å; L108-F116 HydrophobicContact CG-CD1 4.48Å; L108-F116 HydrophobicContact CG-CE1 4.43Å; L108-F137 HydrophobicContact CD1-CE1 4.32Å; L108-V180 HydrophobicContact CD2-CG1 3.86Å; L108-V182 HydrophobicContact CD1-CG2 4.34Å; L108-V182 HydrophobicContact CD2-CG2 4.41Å; L108-I211 HydrophobicContact CD2-CD1 3.99Å; L108-I211 HydrophobicContact CG-CD1 4.42Å
109K86.5Confident86.3Confident86 Ų8623.6 Ų23.637%0.37411%0.108SC..Hα-helixtrans-61.6-44.1175.5-178173.5174.4169.70111.9I105 L107 Y111 N112 D148 L373I105-K109 WeakPolarHBondContact O-CB 3.43Å; I105-K109 PolarHBondContact O-N 3.04Å; L107-K109 VanDerWaalsContact C-N 3.31Å; L107-K109 PolarHBondContact O-N 2.86Å; K109-Y111 PolarHBondContact O-N 3.08Å; K109-N112 PolarHBondContact O-N 3.38Å; K109-N112 VanDerWaalsContact O-N 3.13Å; K109-D148 VanDerWaalsContact CE-OD1 3.26Å; K109-D148 WeakPolarHBondContact CE-OD1 3.34Å; K109-D148 VanDerWaalsContact NZ-CG 3.28Å; K109-D148 IonicContact NZ-OD1 3.64Å; K109-D148 PolarHBondContact NZ-OD1 3.1Å; K109-D148 IonicContact NZ-OD2 3.68Å; K109-D148 PolarHBondContact NZ-OD2 2.63Å; K109-D148 VanDerWaalsContact NZ-OD2 3.1Å; K109-L373 HydrophobicContact CD-CD1 4.44Å
110N89.8Confident86.2Confident77 Ų7724.2 Ų24.241%0.41211%0.11SC..Hα-helixtrans-59.4-35.3-179.9-177.385.8000112.8S106 L107 L376S106-N110 WeakPolarHBondContact O-CB 3.45Å; S106-N110 PolarHBondContact O-N 3.09Å; L107-N110 WeakPolarHBondContact O-CB 3.43Å; L107-N110 PolarHBondContact O-N 2.82Å; N110-L376 HydrophobicContact CB-CD2 3.97Å
111Y90.5Very high85.4Confident35 Ų3525.7 Ų25.714%0.13713%0.125CC..THydrogen-bonded Turntrans-97.56.8178.7-71.3-67.1000114.4L107 L108 K109 W113 F378 V384 W386 L391L107-Y111 HydrophobicContact CD1-CD2 3.86Å; L107-Y111 HydrophobicContact CD1-CE2 3.63Å; L107-Y111 HydrophobicContact CG-CD2 4.39Å; L107-Y111 PolarHBondContact O-N 3.12Å; L108-Y111 PolarHBondContact O-N 2.87Å; K109-Y111 PolarHBondContact O-N 3.08Å; Y111-W113 HydrophobicContact CD2-CH2 4.39Å; Y111-W113 HydrophobicContact CD2-CZ3 4.19Å; Y111-W113 PolarHBondContact O-N 2.99Å; Y111-F378 WeakPolarHBondContact OH-CZ 3.29Å; Y111-V384 WeakPolarHBondContact OH-CG2 3.47Å; Y111-W386 HydrophobicContact CD1-CZ2 4.32Å; Y111-W386 AromaticContact CE1-CZ2 3.85Å; Y111-W386 HydrophobicContact CE1-CZ2 3.85Å; Y111-W386 HydrophobicContact CE2-CZ2 4.2Å; Y111-W386 AromaticContact CZ-CZ2 3.77Å; Y111-L391 HydrophobicContact CD1-CD1 3.34Å; Y111-L391 HydrophobicContact CD1-CD2 3.98Å; Y111-L391 HydrophobicContact CD1-CG 4.33Å; Y111-L391 HydrophobicContact CE1-CD1 3.79Å; Y111-L391 HydrophobicContact CG-CD1 3.96Å
112N87Confident84Confident99 Ų9929.4 Ų29.453%0.52915%0.145SC..THydrogen-bonded Turntrans56.428.5-176.4-64.3-49.8000114.6L108 K109 R114L108-N112 PolarHBondContact O-N 3.18Å; L108-N112 VanDerWaalsContact O-N 3.1Å; K109-N112 PolarHBondContact O-N 3.38Å; K109-N112 VanDerWaalsContact O-N 3.13Å; N112-R114 VanDerWaalsContact O-CG 3.27Å; N112-R114 WeakPolarHBondContact O-CG 3.47Å; N112-R114 PolarHBondContact O-N 3.2Å
113W89.2Confident82.6Confident3 Ų331.8 Ų31.81%0.01116%0.162CC..  trans-78114.1176.5-69-30.6000111L108 Y111 V180 V209 I211 L244 W386 L391 P392 D394L108-W113 HydrophobicContact CD2-CB 3.93Å; L108-W113 HydrophobicContact CD2-CE3 4.02Å; L108-W113 PolarHBondContact O-N 3.08Å; Y111-W113 HydrophobicContact CD2-CH2 4.39Å; Y111-W113 HydrophobicContact CD2-CZ3 4.19Å; Y111-W113 PolarHBondContact O-N 2.99Å; W113-V180 HydrophobicContact CB-CG2 4.28Å; W113-V180 HydrophobicContact CD2-CG1 4.33Å; W113-V180 HydrophobicContact CD2-CG2 3.75Å; W113-V180 HydrophobicContact CE3-CG1 4.06Å; W113-V180 HydrophobicContact CE3-CG2 4.29Å; W113-V180 HydrophobicContact CG-CG2 3.79Å; W113-V180 HydrophobicContact CZ2-CG2 4.49Å; W113-V180 HydrophobicContact CZ3-CG1 4.44Å; W113-V209 HydrophobicContact CH2-CB 4.41Å; W113-V209 HydrophobicContact CH2-CG1 3.61Å; W113-V209 HydrophobicContact CH2-CG2 4.17Å; W113-V209 HydrophobicContact CZ2-CG1 3.79Å; W113-V209 HydrophobicContact CZ3-CG1 4.27Å; W113-I211 HydrophobicContact CE3-CD1 4.05Å; W113-I211 HydrophobicContact CZ3-CD1 3.68Å; W113-I211 HydrophobicContact CZ3-CG1 4.34Å; W113-L244 HydrophobicContact CH2-CD1 4.34Å; W113-L244 HydrophobicContact CZ3-CD1 4.44Å; W113-W386 AromaticContact CH2-CH2 3.65Å; W113-W386 HydrophobicContact CH2-CH2 3.65Å; W113-W386 HydrophobicContact CH2-CZ2 4.42Å; W113-W386 HydrophobicContact CH2-CZ3 4.38Å; W113-W386 AromaticContact CZ2-CH2 3.97Å; W113-W386 HydrophobicContact CZ2-CH2 3.97Å; W113-L391 HydrophobicContact CZ2-CD1 3.91Å; W113-P392 HydrophobicContact CZ2-CB 4.4Å; W113-P392 HydrophobicContact CZ2-CG 4.37Å; W113-P392 PolarHBondContact NE1-O 3.11Å; W113-D394 HydrophobicContact CB-CB 4.02Å; W113-D394 HydrophobicContact CG-CB 4.1Å
114R83Confident80.3Confident88 Ų8837.7 Ų37.733%0.33219%0.193SC..  trans-101-27.7-172.7-43.7-161.6176.6-141.9-4.8113N112 H151 I152 R153 D394N112-R114 VanDerWaalsContact O-CG 3.27Å; N112-R114 WeakPolarHBondContact O-CG 3.47Å; N112-R114 PolarHBondContact O-N 3.2Å; R114-H151 WeakPolarHBondContact CA-O 3.31Å; R114-H151 WeakPolarHBondContact CB-O 3.42Å; R114-H151 WeakPolarHBondContact CD-O 3.42Å; R114-H151 WeakPolarHBondContact CG-O 3.35Å; R114-H151 PolarHBondContact NH2-CD2 2.97Å; R114-I152 CarbonylContact O-C 3.58Å; R114-R153 PolarHBondContact O-N 2.92Å; R114-D394 VanDerWaalsContact CA-OD2 3.23Å; R114-D394 WeakPolarHBondContact CA-OD2 3.43Å; R114-D394 WeakPolarHBondContact CB-OD2 3.25Å; R114-D394 PolarHBondContact N-OD2 2.95Å
115K83.3Confident78Confident32 Ų3244.2 Ų44.214%0.13923%0.232CC..EExtended strand (participates in β ladder)trans-120.3115.5-176.3-158-175.8-173.5-177.60110.6S154 F177 F178 D394 E395 F400K115-S154 WeakPolarHBondContact CG-OG 3.38Å; K115-F177 WeakPolarHBondContact CD-O 3.46Å; K115-F177 WeakPolarHBondContact CE-O 3.44Å; K115-F177 PolarHBondContact NZ-O 3.12Å; K115-F178 HydrophobicContact CG-CD1 4Å; K115-F178 HydrophobicContact CG-CE1 4Å; K115-D394 HydrophobicContact CB-CB 4.47Å; K115-D394 PolarHBondContact N-OD2 3.35Å; K115-E395 HydrophobicContact CD-CB 4.38Å; K115-E395 IonicContact NZ-OE1 2.7Å; K115-E395 PolarHBondContact NZ-OE1 2.83Å; K115-F400 HydrophobicContact CD-CE2 4.04Å
116F87Confident76.2Confident1 Ų146.8 Ų46.80%0.00425%0.246CC..EExtended strand (participates in β ladder)trans-149.8162178.864-91.9000112.1L108 I118 F137 I152 S154 I155 V180 V182L108-F116 HydrophobicContact CD1-CD1 3.91Å; L108-F116 HydrophobicContact CD1-CD2 4.42Å; L108-F116 HydrophobicContact CD1-CE1 3.51Å; L108-F116 HydrophobicContact CD1-CE2 4.08Å; L108-F116 HydrophobicContact CD1-CG 4.34Å; L108-F116 HydrophobicContact CD1-CZ 3.61Å; L108-F116 HydrophobicContact CD2-CB 4.37Å; L108-F116 HydrophobicContact CD2-CD1 3.82Å; L108-F116 HydrophobicContact CD2-CE1 4.25Å; L108-F116 HydrophobicContact CD2-CG 4.11Å; L108-F116 HydrophobicContact CG-CD1 4.48Å; L108-F116 HydrophobicContact CG-CE1 4.43Å; F116-I118 HydrophobicContact CD2-CG1 4.24Å; F116-I118 HydrophobicContact CE2-CD1 4.27Å; F116-I118 HydrophobicContact CE2-CG1 3.92Å; F116-F137 HydrophobicContact CE2-CD1 4.4Å; F116-F137 HydrophobicContact CE2-CE1 4.45Å; F116-F137 HydrophobicContact CZ-CD1 4.42Å; F116-I152 HydrophobicContact CD1-CG2 4.34Å; F116-I152 HydrophobicContact CE1-CG1 4.46Å; F116-I152 HydrophobicContact CE1-CG2 3.42Å; F116-I152 VanDerWaalsContact CE1-CG2 3.42Å; F116-I152 HydrophobicContact CZ-CG2 4.05Å; F116-S154 VanDerWaalsContact O-O 3.05Å; F116-I155 HydrophobicContact CE1-CG1 4.37Å; F116-I155 HydrophobicContact CE2-CG1 4.14Å; F116-I155 HydrophobicContact CE2-CG2 4.19Å; F116-I155 HydrophobicContact CZ-CD1 4.15Å; F116-I155 HydrophobicContact CZ-CG1 3.72Å; F116-V180 WeakPolarHBondContact CA-O 3.32Å; F116-V180 HydrophobicContact CB-CB 3.88Å; F116-V180 HydrophobicContact CB-CG1 3.89Å; F116-V180 WeakPolarHBondContact CB-O 3.04Å; F116-V182 HydrophobicContact CB-CG2 4.5Å; F116-V182 HydrophobicContact CD2-CB 4.41Å; F116-V182 HydrophobicContact CD2-CG2 3.72Å; F116-V182 HydrophobicContact CE2-CG2 4.23Å; F116-V182 HydrophobicContact CG-CG2 4.28Å
117T84.6Confident74Confident0 Ų051.9 Ų51.90%027%0.267CS..EExtended strand (participates in β ladder)trans-114.2141.4174-175.60000111V119 V156 F178 V180 Y181 V182T117-V119 HydrophobicContact CG2-CG2 4.19Å; T117-V156 CarbonylContact C-O 3.59Å; T117-V156 VanDerWaalsContact CA-O 3.31Å; T117-V156 WeakPolarHBondContact CA-O 3.34Å; T117-V156 PolarHBondContact OG1-O 3.07Å; T117-V156 VanDerWaalsContact OG1-O 3.04Å; T117-F178 HydrophobicContact CG2-CB 3.97Å; T117-F178 HydrophobicContact CG2-CD2 4.17Å; T117-F178 HydrophobicContact CG2-CG 4.07Å; T117-V180 PolarHBondContact N-O 3.14Å; T117-V180 VanDerWaalsContact N-O 3.1Å; T117-Y181 HydrophobicContact CG2-CD1 3.28Å; T117-Y181 HydrophobicContact CG2-CE1 3.54Å; T117-Y181 HydrophobicContact CG2-CG 3.93Å; T117-V182 PolarHBondContact O-N 2.77Å
118I83.1Confident72Confident0 Ų054.1 Ų54.10%029%0.291CS..EExtended strand (participates in β ladder)trans-97.6120173.2-59179.3000108.5F116 F137 I155 V156 A157 E158 V182 F184F116-I118 HydrophobicContact CD2-CG1 4.24Å; F116-I118 HydrophobicContact CE2-CD1 4.27Å; F116-I118 HydrophobicContact CE2-CG1 3.92Å; I118-F137 HydrophobicContact CD1-CB 3.75Å; I118-F137 HydrophobicContact CD1-CD1 4.13Å; I118-F137 HydrophobicContact CD1-CD2 3.76Å; I118-F137 HydrophobicContact CD1-CE2 4.41Å; I118-F137 HydrophobicContact CD1-CG 3.6Å; I118-I155 HydrophobicContact CD1-CG2 3.36Å; I118-I155 HydrophobicContact CG1-CG2 3.92Å; I118-V156 PolarHBondContact N-O 3.27Å; I118-A157 HydrophobicContact CB-CB 4.29Å; I118-A157 CarbonylContact O-C 3.49Å; I118-A157 VanDerWaalsContact O-CA 3.31Å; I118-A157 WeakPolarHBondContact O-CA 3.47Å; I118-E158 PolarHBondContact O-N 3.15Å; I118-V182 CarbonylContact C-O 3.27Å; I118-V182 VanDerWaalsContact CA-O 3.25Å; I118-V182 WeakPolarHBondContact CA-O 3.07Å; I118-V182 HydrophobicContact CG1-CB 4.47Å; I118-F184 HydrophobicContact CG2-CD2 3.94Å; I118-F184 HydrophobicContact CG2-CE2 4.13Å
119V79.6Confident70.2Confident0 Ų057.5 Ų57.50%031%0.307CS..EExtended strand (participates in β ladder)trans-108126.1-177.5-176.70000109.7T117 E158 H160 F170 Y181 V182 M183 F184 M193T117-V119 HydrophobicContact CG2-CG2 4.19Å; V119-E158 WeakPolarHBondContact CA-O 3.5Å; V119-H160 HydrophobicContact CG1-CB 3.6Å; V119-F170 HydrophobicContact CG1-CE1 4.17Å; V119-F170 HydrophobicContact CG1-CZ 4.36Å; V119-F170 HydrophobicContact CG2-CE1 3.87Å; V119-F170 HydrophobicContact CG2-CZ 3.58Å; V119-Y181 HydrophobicContact CG2-CD1 3.99Å; V119-V182 PolarHBondContact N-O 3.17Å; V119-M183 HydrophobicContact CB-CB 4.33Å; V119-M183 HydrophobicContact CB-CG 4.23Å; V119-M183 HydrophobicContact CG1-CG 4.34Å; V119-M183 CarbonylContact O-C 3.5Å; V119-M183 WeakPolarHBondContact O-CA 3.5Å; V119-F184 PolarHBondContact O-N 2.98Å; V119-M193 HydrophobicContact CG1-SD 4.1Å; V119-M193 HydrophobicContact CG2-CE 4.15Å
120Y75.3Confident68.7Low24 Ų2454.5 Ų54.59%0.09430%0.295CS..EExtended strand (participates in β ladder)trans-141.2152.3177.763-90.5000113.3Q130 I134 A157 E158 T159 H160 F184Y120-Q130 HydrophobicContact CD2-CB 3.89Å; Y120-Q130 HydrophobicContact CD2-CG 3.55Å; Y120-Q130 HydrophobicContact CE2-CB 3.42Å; Y120-Q130 VanDerWaalsContact CE2-CB 3.42Å; Y120-Q130 VanDerWaalsContact CE2-CD 3.45Å; Y120-Q130 HydrophobicContact CE2-CG 3.29Å; Y120-I134 HydrophobicContact CE1-CD1 4.14Å; Y120-I134 HydrophobicContact CE1-CG1 4.34Å; Y120-A157 HydrophobicContact CE1-CB 3.96Å; Y120-E158 PolarHBondContact N-O 3.47Å; Y120-E158 VanDerWaalsContact N-O 3.13Å; Y120-T159 HydrophobicContact CD2-CG2 4.32Å; Y120-T159 HydrophobicContact CE2-CG2 3.52Å; Y120-T159 CarbonylContact O-C 3.57Å; Y120-T159 VanDerWaalsContact O-CA 3.26Å; Y120-T159 WeakPolarHBondContact O-CA 3.09Å; Y120-H160 PolarHBondContact O-N 2.61Å; Y120-F184 WeakPolarHBondContact CA-O 3.4Å
121G65.7Low67Low31 Ų3156.7 Ų56.732%0.3231%0.305SS..EExtended strand (participates in β ladder)trans-72134.8-175.200000115.1Q130G121-Q130 PolarHBondContact O-NE2 3.32Å
122D56.7Low65.5Low78 Ų7856.9 Ų56.942%0.41731%0.308SS..  trans-91.198.4171.7-169.926.6000112.1Q130 T159 H160D122-Q130 PolarHBondContact OD1-NE2 3.04Å; D122-T159 HydrophobicContact CB-CG2 3.86Å; D122-H160 PolarHBondContact N-O 3.4Å
123N55.3Low64.3Low101 Ų10152.8 Ų52.854%0.5429%0.286SS..  trans-128.6127.2164.3-77.4-28.2000107.4V125 N126N123-V125 PolarHBondContact O-N 3.33Å; N123-N126 PolarHBondContact O-N 2.93Å
124D40.8Very low63.1Low124 Ų12455.7 Ų55.766%0.66330%0.301SS*.G310 helixtrans-53.2-23.7-175.6-100.4-40.2000114.6N126 K127D124-N126 PolarHBondContact O-N 2.85Å; D124-K127 IonicContact OD1-NZ 3.87Å; D124-K127 PolarHBondContact OD1-NZ 3.33Å
125V43.6Very low62.1Low136 Ų13653.5 Ų53.582%0.82430%0.299SS*.G310 helixtrans-70.9-20.6177.6-165.50000112.2N123N123-V125 PolarHBondContact O-N 3.33Å
126N48Very low61.4Low59 Ų5952.2 Ų52.232%0.31630%0.295SS..G310 helixtrans-116.815.9-165.8-70.1-12.2000114N123 D124 G128 M129 Q130N123-N126 PolarHBondContact O-N 2.93Å; D124-N126 PolarHBondContact O-N 2.85Å; N126-G128 PolarHBondContact O-N 2.63Å; N126-M129 HydrophobicContact CB-CB 4.44Å; N126-M129 HydrophobicContact CB-CE 3.46Å; N126-M129 VanDerWaalsContact CB-CE 3.46Å; N126-M129 WeakPolarHBondContact ND2-CE 3.44Å; N126-M129 WeakPolarHBondContact O-CA 3.43Å; N126-M129 WeakPolarHBondContact O-CB 3.21Å; N126-M129 PolarHBondContact O-N 3.46Å; N126-M129 VanDerWaalsContact OD1-CE 3.23Å; N126-M129 WeakPolarHBondContact OD1-CE 3.34Å; N126-Q130 PolarHBondContact O-N 2.87Å
127K43.6Very low60.8Low116 Ų11652.2 Ų52.250%0.50429%0.294SS..Hα-helixtrans-49.2-32.9175.6-89.7174.7173.5143.10113.5D124 Q130 I131D124-K127 IonicContact OD1-NZ 3.87Å; D124-K127 PolarHBondContact OD1-NZ 3.33Å; K127-Q130 WeakPolarHBondContact O-CB 3.35Å; K127-Q130 PolarHBondContact O-N 2.87Å; K127-I131 PolarHBondContact O-N 3.31Å
128G48.7Very low60.1Low47 Ų4753.3 Ų53.349%0.48530%0.303SS..Hα-helixtrans-62.2-42.4172.300000113.7N126 Q130 I131 L132N126-G128 PolarHBondContact O-N 2.63Å; G128-Q130 VanDerWaalsContact C-N 3.28Å; G128-Q130 PolarHBondContact O-N 3.12Å; G128-I131 PolarHBondContact O-N 3.37Å; G128-L132 VanDerWaalsContact O-CG 3.28Å; G128-L132 WeakPolarHBondContact O-CG 3.23Å; G128-L132 PolarHBondContact O-N 2.59Å
129M53.4Low59.3Low70 Ų7058.1 Ų58.135%0.34533%0.326SS..Hα-helixtrans-66.5-28.6175.8-80.5-171-64.200112.8N126 L132 N133N126-M129 HydrophobicContact CB-CB 4.44Å; N126-M129 HydrophobicContact CB-CE 3.46Å; N126-M129 VanDerWaalsContact CB-CE 3.46Å; N126-M129 WeakPolarHBondContact ND2-CE 3.44Å; N126-M129 WeakPolarHBondContact O-CA 3.43Å; N126-M129 WeakPolarHBondContact O-CB 3.21Å; N126-M129 PolarHBondContact O-N 3.46Å; N126-M129 VanDerWaalsContact OD1-CE 3.23Å; N126-M129 WeakPolarHBondContact OD1-CE 3.34Å; M129-L132 PolarHBondContact O-N 2.78Å; M129-N133 WeakPolarHBondContact O-CB 3.44Å; M129-N133 PolarHBondContact O-N 2.81Å; M129-N133 PolarHBondContact O-ND2 3.23Å; M129-N133 PolarHBondContact O-OD1 3.45Å
130Q54.4Low58.8Low24 Ų2458.9 Ų58.911%0.11233%0.331CS..Hα-helixtrans-65.1-47.2176.8-55.4-177.8-2100111.5Y120 G121 D122 N126 K127 G128 L132 N133 I134Y120-Q130 HydrophobicContact CD2-CB 3.89Å; Y120-Q130 HydrophobicContact CD2-CG 3.55Å; Y120-Q130 HydrophobicContact CE2-CB 3.42Å; Y120-Q130 VanDerWaalsContact CE2-CB 3.42Å; Y120-Q130 VanDerWaalsContact CE2-CD 3.45Å; Y120-Q130 HydrophobicContact CE2-CG 3.29Å; G121-Q130 PolarHBondContact O-NE2 3.32Å; D122-Q130 PolarHBondContact OD1-NE2 3.04Å; N126-Q130 PolarHBondContact O-N 2.87Å; K127-Q130 WeakPolarHBondContact O-CB 3.35Å; K127-Q130 PolarHBondContact O-N 2.87Å; G128-Q130 VanDerWaalsContact C-N 3.28Å; G128-Q130 PolarHBondContact O-N 3.12Å; Q130-L132 VanDerWaalsContact C-N 3.3Å; Q130-L132 PolarHBondContact O-N 2.95Å; Q130-N133 PolarHBondContact O-N 3.26Å; Q130-I134 WeakPolarHBondContact O-CG1 3.43Å; Q130-I134 PolarHBondContact O-N 3.18Å
131I55.3Low58.8Low122 Ų12260 Ų6063%0.62634%0.335SS*.Hα-helixtrans-63.2-41.4174.4-63.3173.5000109.8K127 G128 I134 S135K127-I131 PolarHBondContact O-N 3.31Å; G128-I131 PolarHBondContact O-N 3.37Å; I131-I134 PolarHBondContact O-N 2.91Å; I131-S135 WeakPolarHBondContact O-CB 3.15Å; I131-S135 PolarHBondContact O-N 3.02Å; I131-S135 PolarHBondContact O-OG 3.22Å
132L57.5Low59Low39 Ų3966.5 Ų66.520%0.20435%0.35CS..Hα-helixtrans-60.2-47.7177.5-71.7166.3000111.7H79 G128 M129 Q130 I134 S135 S136H79-L132 HydrophobicContact CB-CD2 4.24Å; G128-L132 VanDerWaalsContact O-CG 3.28Å; G128-L132 WeakPolarHBondContact O-CG 3.23Å; G128-L132 PolarHBondContact O-N 2.59Å; M129-L132 PolarHBondContact O-N 2.78Å; Q130-L132 VanDerWaalsContact C-N 3.3Å; Q130-L132 PolarHBondContact O-N 2.95Å; L132-I134 VanDerWaalsContact C-N 3.34Å; L132-I134 PolarHBondContact O-N 3.14Å; L132-S135 VanDerWaalsContact CA-OG 3.31Å; L132-S135 WeakPolarHBondContact CA-OG 3.32Å; L132-S135 CarbonylContact O-C 3.41Å; L132-S135 PolarHBondContact O-N 3.14Å; L132-S135 PolarHBondContact O-OG 3.11Å; L132-S136 VanDerWaalsContact O-CB 3.22Å; L132-S136 WeakPolarHBondContact O-CB 2.98Å; L132-S136 PolarHBondContact O-N 3.39Å; L132-S136 PolarHBondContact O-OG 2.57Å
133N62Low59.6Low13 Ų1366.1 Ų66.17%0.0735%0.354CS..Hα-helixtrans-63.1-34.9-179.7-68.8-11.9000113.8M129 Q130 S136 F184M129-N133 WeakPolarHBondContact O-CB 3.44Å; M129-N133 PolarHBondContact O-N 2.81Å; M129-N133 PolarHBondContact O-ND2 3.23Å; M129-N133 PolarHBondContact O-OD1 3.45Å; Q130-N133 PolarHBondContact O-N 3.26Å; N133-S136 WeakPolarHBondContact CA-OG 3.4Å; N133-S136 PolarHBondContact O-OG 3.41Å; N133-F184 HydrophobicContact CB-CD2 3.88Å; N133-F184 HydrophobicContact CB-CE2 4.02Å; N133-F184 HydrophobicContact CB-CG 4.28Å; N133-F184 WeakPolarHBondContact ND2-CB 3.39Å
134I63.8Low60.3Low65 Ų6561.5 Ų61.533%0.33333%0.329SS..Hα-helixtrans-75.4-45.9174.6-61.9174.3000109.7Y120 Q130 I131 L132 S136 F137 A138 A157Y120-I134 HydrophobicContact CE1-CD1 4.14Å; Y120-I134 HydrophobicContact CE1-CG1 4.34Å; Q130-I134 WeakPolarHBondContact O-CG1 3.43Å; Q130-I134 PolarHBondContact O-N 3.18Å; I131-I134 PolarHBondContact O-N 2.91Å; L132-I134 VanDerWaalsContact C-N 3.34Å; L132-I134 PolarHBondContact O-N 3.14Å; I134-S136 PolarHBondContact O-N 2.79Å; I134-F137 PolarHBondContact O-N 2.87Å; I134-A138 WeakPolarHBondContact O-CB 3.43Å; I134-A138 PolarHBondContact O-N 3.09Å; I134-A157 HydrophobicContact CD1-CB 3.37Å; I134-A157 HydrophobicContact CG1-CB 3.44Å; I134-A157 VanDerWaalsContact CG1-CB 3.44Å
135S63.4Low62Low41 Ų4159.5 Ų59.529%0.28732%0.318SS..Hα-helixtrans-63.3-32.418071.30000112.4I131 L132 F137 A138 E139I131-S135 WeakPolarHBondContact O-CB 3.15Å; I131-S135 PolarHBondContact O-N 3.02Å; I131-S135 PolarHBondContact O-OG 3.22Å; L132-S135 VanDerWaalsContact CA-OG 3.31Å; L132-S135 WeakPolarHBondContact CA-OG 3.32Å; L132-S135 CarbonylContact O-C 3.41Å; L132-S135 PolarHBondContact O-N 3.14Å; L132-S135 PolarHBondContact O-OG 3.11Å; S135-F137 VanDerWaalsContact C-N 3.27Å; S135-F137 PolarHBondContact O-N 3.16Å; S135-A138 PolarHBondContact O-N 3.15Å; S135-E139 PolarHBondContact O-N 3.46Å
136S67.3Low63.1Low6 Ų659.4 Ų59.44%0.04231%0.307CS..Hα-helixtrans-68.6-26.5-179.867.10000112.9S101 L132 N133 I134 P140S101-S136 WeakPolarHBondContact CB-O 3.41Å; S101-S136 VanDerWaalsContact OG-CB 3.26Å; S101-S136 WeakPolarHBondContact OG-CB 3.4Å; S101-S136 PolarHBondContact OG-O 3.3Å; S101-S136 PolarHBondContact OG-OG 3Å; L132-S136 VanDerWaalsContact O-CB 3.22Å; L132-S136 WeakPolarHBondContact O-CB 2.98Å; L132-S136 PolarHBondContact O-N 3.39Å; L132-S136 PolarHBondContact O-OG 2.57Å; N133-S136 WeakPolarHBondContact CA-OG 3.4Å; N133-S136 PolarHBondContact O-OG 3.41Å; I134-S136 PolarHBondContact O-N 2.79Å; S136-P140 WeakPolarHBondContact O-CD 3.48Å; S136-P140 WeakPolarHBondContact O-CG 3.5Å
137F75.6Confident64Low0 Ų063.2 Ų63.20%032%0.323CS..Hα-helixtrans-86.2-38.5167.9-89.7-96.9000111.7S101 A104 I105 L108 F116 I118 I134 S135 E139 Y141 V182 F184 L213S101-F137 WeakPolarHBondContact OG-CD2 3.46Å; S101-F137 WeakPolarHBondContact OG-CE2 3.37Å; A104-F137 HydrophobicContact CB-CE1 3.85Å; A104-F137 HydrophobicContact CB-CE2 4.46Å; A104-F137 HydrophobicContact CB-CZ 3.4Å; A104-F137 VanDerWaalsContact CB-CZ 3.4Å; I105-F137 HydrophobicContact CD1-CD1 3.87Å; I105-F137 HydrophobicContact CD1-CE1 4.35Å; I105-F137 HydrophobicContact CG1-CD1 3.67Å; I105-F137 HydrophobicContact CG1-CE1 3.73Å; L108-F137 HydrophobicContact CD1-CE1 4.32Å; F116-F137 HydrophobicContact CE2-CD1 4.4Å; F116-F137 HydrophobicContact CE2-CE1 4.45Å; F116-F137 HydrophobicContact CZ-CD1 4.42Å; I118-F137 HydrophobicContact CD1-CB 3.75Å; I118-F137 HydrophobicContact CD1-CD1 4.13Å; I118-F137 HydrophobicContact CD1-CD2 3.76Å; I118-F137 HydrophobicContact CD1-CE2 4.41Å; I118-F137 HydrophobicContact CD1-CG 3.6Å; I134-F137 PolarHBondContact O-N 2.87Å; S135-F137 VanDerWaalsContact C-N 3.27Å; S135-F137 PolarHBondContact O-N 3.16Å; F137-E139 PolarHBondContact O-N 2.61Å; F137-Y141 WeakPolarHBondContact O-CB 3.28Å; F137-Y141 PolarHBondContact O-N 3.02Å; F137-V182 HydrophobicContact CE1-CG1 4.37Å; F137-V182 HydrophobicContact CE2-CG1 4.13Å; F137-V182 HydrophobicContact CZ-CG1 3.62Å; F137-F184 AromaticContact CD2-CE2 3.8Å; F137-F184 HydrophobicContact CD2-CE2 3.8Å; F137-F184 AromaticContact CD2-CZ 3.99Å; F137-F184 HydrophobicContact CD2-CZ 3.99Å; F137-F184 AromaticContact CE2-CE2 3.42Å; F137-F184 HydrophobicContact CE2-CE2 3.42Å; F137-F184 VanDerWaalsContact CE2-CE2 3.42Å; F137-F184 AromaticContact CE2-CZ 3.5Å; F137-F184 HydrophobicContact CE2-CZ 3.5Å; F137-F184 VanDerWaalsContact CE2-CZ 3.5Å; F137-L213 HydrophobicContact CE2-CD1 3.67Å; F137-L213 HydrophobicContact CZ-CD1 3.72Å
138A68.8Low65Low23 Ų2358.9 Ų58.919%0.1931%0.305CS..Hα-helixtrans-63.6-41.4-174.800000113.3I134 S135 R142I134-A138 WeakPolarHBondContact O-CB 3.43Å; I134-A138 PolarHBondContact O-N 3.09Å; S135-A138 PolarHBondContact O-N 3.15Å; A138-R142 WeakPolarHBondContact O-CB 3.33Å; A138-R142 WeakPolarHBondContact O-CD 3.5Å; A138-R142 WeakPolarHBondContact O-CG 3.26Å; A138-R142 PolarHBondContact O-N 3.01Å
139E66.7Low65.9Low101 Ų10161.2 Ų61.247%0.47230%0.3SS..Hα-helixtrans-69.7-53.4179.9-81.1-152.3164.200113.6H79 S135 F137 Y141 R142 S143H79-E139 IonicContact CE1-OE2 3.3Å; H79-E139 PolarHBondContact CE1-OE2 2.89Å; H79-E139 IonicContact NE2-OE2 3.5Å; S135-E139 PolarHBondContact O-N 3.46Å; F137-E139 PolarHBondContact O-N 2.61Å; E139-Y141 PolarHBondContact O-N 2.84Å; E139-R142 PolarHBondContact O-N 2.73Å; E139-S143 PolarHBondContact O-N 2.95Å
140P69.2Low66.1Low16 Ų1663.6 Ų63.610%0.10431%0.31CS..Hα-helixtrans-58.8-36.5174.6-2737.4000112.7R102 I105 S136 S143 T144R102-P140 HydrophobicContact CG-CB 3.95Å; R102-P140 HydrophobicContact CG-CG 3.9Å; I105-P140 HydrophobicContact CD1-CB 3.74Å; S136-P140 WeakPolarHBondContact O-CD 3.48Å; S136-P140 WeakPolarHBondContact O-CG 3.5Å; P140-S143 WeakPolarHBondContact CA-OG 3.4Å; P140-S143 PolarHBondContact O-N 3.12Å; P140-S143 PolarHBondContact O-OG 3.44Å; P140-T144 WeakPolarHBondContact O-CG2 3.5Å; P140-T144 PolarHBondContact O-N 3.48Å
141Y74.7Confident66.5Low48 Ų4865.8 Ų65.819%0.18832%0.32CS..Hα-helixtrans-66.9-35.7174.6175.8-111000112.6F137 E139 T144 R149 I152 I155F137-Y141 WeakPolarHBondContact O-CB 3.28Å; F137-Y141 PolarHBondContact O-N 3.02Å; E139-Y141 PolarHBondContact O-N 2.84Å; Y141-T144 PolarHBondContact O-OG1 2.77Å; Y141-R149 HydrophobicContact CD2-CG 4.35Å; Y141-R149 HydrophobicContact CE1-CG 4.33Å; Y141-R149 HydrophobicContact CE2-CB 4.16Å; Y141-R149 HydrophobicContact CE2-CG 3.84Å; Y141-R149 WeakPolarHBondContact O-CD 3.46Å; Y141-R149 VanDerWaalsContact O-CG 3.23Å; Y141-R149 WeakPolarHBondContact O-CG 3.2Å; Y141-R149 PolarHBondContact OH-O 3.24Å; Y141-I152 HydrophobicContact CD2-CB 4.22Å; Y141-I152 HydrophobicContact CD2-CD1 4.06Å; Y141-I152 HydrophobicContact CD2-CG2 4.32Å; Y141-I152 HydrophobicContact CE2-CB 3.58Å; Y141-I152 HydrophobicContact CE2-CD1 4.19Å; Y141-I152 HydrophobicContact CE2-CG1 4.42Å; Y141-I152 HydrophobicContact CE2-CG2 3.9Å; Y141-I152 PolarHBondContact OH-O 3.14Å; Y141-I155 HydrophobicContact CD1-CD1 3.94Å; Y141-I155 HydrophobicContact CE1-CD1 4.42Å; Y141-I155 HydrophobicContact CG-CD1 4Å
142R71Confident66.8Low167 Ų16760.5 Ų60.563%0.6329%0.293SS*.Hα-helixtrans-71.8-31.4175.6-78.2170.7-170.4169.24.6113A138 E139 T144A138-R142 WeakPolarHBondContact O-CB 3.33Å; A138-R142 WeakPolarHBondContact O-CD 3.5Å; A138-R142 WeakPolarHBondContact O-CG 3.26Å; A138-R142 PolarHBondContact O-N 3.01Å; E139-R142 PolarHBondContact O-N 2.73Å; R142-T144 VanDerWaalsContact C-N 3.29Å
143S68.7Low66.8Low70 Ų7067.6 Ų67.649%0.4932%0.317SS..Hα-helixtrans-78.4-12.6-179.468.50000113.4E139 P140E139-S143 PolarHBondContact O-N 2.95Å; P140-S143 WeakPolarHBondContact CA-OG 3.4Å; P140-S143 PolarHBondContact O-N 3.12Å; P140-S143 PolarHBondContact O-OG 3.44Å
144T70.7Confident66.8Low4 Ų468.5 Ų68.53%0.02532%0.324CS..SBendtrans-68.8156.2169.7660000111.7P140 Y141 R142 D148 R149 L373P140-T144 WeakPolarHBondContact O-CG2 3.5Å; P140-T144 PolarHBondContact O-N 3.48Å; Y141-T144 PolarHBondContact O-OG1 2.77Å; R142-T144 VanDerWaalsContact C-N 3.29Å; T144-D148 HydrophobicContact CG2-CB 4.41Å; T144-R149 PolarHBondContact O-NE 3.17Å; T144-R149 PolarHBondContact O-NH2 2.88Å; T144-R149 WeakPolarHBondContact OG1-CG 3.43Å; T144-L373 HydrophobicContact CG2-CD1 3.82Å; T144-L373 HydrophobicContact CG2-CG 4.18Å
145N75.2Confident66.6Low82 Ų8268 Ų6844%0.43932%0.322SS..  trans-63.6167.3177.663.852.4000111.2E147 D148 R149N145-E147 VanDerWaalsContact C-N 3.33Å; N145-E147 PolarHBondContact O-N 2.84Å; N145-E147 PolarHBondContact OD1-N 2.89Å; N145-D148 VanDerWaalsContact CG-OD2 3.32Å; N145-D148 PolarHBondContact ND2-OD2 3.35Å; N145-D148 PolarHBondContact O-N 2.86Å; N145-D148 VanDerWaalsContact OD1-CB 3.29Å; N145-D148 WeakPolarHBondContact OD1-CB 3.03Å; N145-D148 VanDerWaalsContact OD1-CG 3.26Å; N145-D148 PolarHBondContact OD1-N 3.13Å; N145-D148 PolarHBondContact OD1-OD2 3Å; N145-R149 PolarHBondContact O-N 2.95Å
146F67.2Low66.4Low134 Ų13468.5 Ų68.559%0.58832%0.323SS*.Hα-helixtrans-61.2-40.3-175.3-178.1-95.2000112.6R149 E150F146-R149 PolarHBondContact O-N 3.44Å; F146-E150 HydrophobicContact CD1-CG 4.23Å; F146-E150 HydrophobicContact CE1-CG 3.72Å; F146-E150 HydrophobicContact CZ-CG 3.97Å; F146-E150 PolarHBondContact O-N 3.4Å
147E66.2Low65.8Low140 Ų14069.6 Ų69.665%0.65433%0.332SS*.Hα-helixtrans-62.1-47.2177.4-69.2-177.6170.200111.1N145 R149 E150 H151N145-E147 VanDerWaalsContact C-N 3.33Å; N145-E147 PolarHBondContact O-N 2.84Å; N145-E147 PolarHBondContact OD1-N 2.89Å; E147-R149 PolarHBondContact O-N 3.03Å; E147-E150 PolarHBondContact O-N 2.73Å; E147-E150 VanDerWaalsContact O-N 3.11Å; E147-H151 PolarHBondContact O-N 2.87Å; E147-H151 VanDerWaalsContact O-N 3.1Å; E147-H151 PolarHBondContact O-ND1 3.48Å
148D64.6Low65Low25 Ų2572.5 Ų72.513%0.13435%0.346CS..Hα-helixtrans-61.1-33.5176.5-76.3-32.8000112K109 T144 N145 H151K109-D148 VanDerWaalsContact CE-OD1 3.26Å; K109-D148 WeakPolarHBondContact CE-OD1 3.34Å; K109-D148 VanDerWaalsContact NZ-CG 3.28Å; K109-D148 IonicContact NZ-OD1 3.64Å; K109-D148 PolarHBondContact NZ-OD1 3.1Å; K109-D148 IonicContact NZ-OD2 3.68Å; K109-D148 PolarHBondContact NZ-OD2 2.63Å; K109-D148 VanDerWaalsContact NZ-OD2 3.1Å; T144-D148 HydrophobicContact CG2-CB 4.41Å; N145-D148 VanDerWaalsContact CG-OD2 3.32Å; N145-D148 PolarHBondContact ND2-OD2 3.35Å; N145-D148 PolarHBondContact O-N 2.86Å; N145-D148 VanDerWaalsContact OD1-CB 3.29Å; N145-D148 WeakPolarHBondContact OD1-CB 3.03Å; N145-D148 VanDerWaalsContact OD1-CG 3.26Å; N145-D148 PolarHBondContact OD1-N 3.13Å; N145-D148 PolarHBondContact OD1-OD2 3Å; D148-H151 WeakPolarHBondContact O-CB 3.2Å; D148-H151 PolarHBondContact O-N 3.06Å
149R67.3Low64.4Low96 Ų9673.9 Ų73.936%0.36235%0.352SS..Hα-helixtrans-68.9-41.5172.8-79.8-177.8-91168.6-9.5112.6Y141 T144 N145 F146 E147 H151 I152Y141-R149 HydrophobicContact CD2-CG 4.35Å; Y141-R149 HydrophobicContact CE1-CG 4.33Å; Y141-R149 HydrophobicContact CE2-CB 4.16Å; Y141-R149 HydrophobicContact CE2-CG 3.84Å; Y141-R149 WeakPolarHBondContact O-CD 3.46Å; Y141-R149 VanDerWaalsContact O-CG 3.23Å; Y141-R149 WeakPolarHBondContact O-CG 3.2Å; Y141-R149 PolarHBondContact OH-O 3.24Å; T144-R149 PolarHBondContact O-NE 3.17Å; T144-R149 PolarHBondContact O-NH2 2.88Å; T144-R149 WeakPolarHBondContact OG1-CG 3.43Å; N145-R149 PolarHBondContact O-N 2.95Å; F146-R149 PolarHBondContact O-N 3.44Å; E147-R149 PolarHBondContact O-N 3.03Å; R149-H151 PolarHBondContact O-N 3.44Å; R149-I152 CarbonylContact O-C 3.58Å; R149-I152 PolarHBondContact O-N 2.85Å; R149-I152 VanDerWaalsContact O-N 3.15Å
150E59Low64.3Low119 Ų11969.2 Ų69.256%0.55633%0.33SS*.Hα-helixtrans-63-24.1174.3-71.9-141.3137.600113.1F146 E147F146-E150 HydrophobicContact CD1-CG 4.23Å; F146-E150 HydrophobicContact CE1-CG 3.72Å; F146-E150 HydrophobicContact CZ-CG 3.97Å; F146-E150 PolarHBondContact O-N 3.4Å; E147-E150 PolarHBondContact O-N 2.73Å; E147-E150 VanDerWaalsContact O-N 3.11Å
151H61.9Low63.5Low71 Ų7169.5 Ų69.533%0.32933%0.332SS..Hα-helixtrans-71.3-25.6175.4-76.579.8000113.4R114 E147 D148 R149R114-H151 WeakPolarHBondContact CA-O 3.31Å; R114-H151 WeakPolarHBondContact CB-O 3.42Å; R114-H151 WeakPolarHBondContact CD-O 3.42Å; R114-H151 WeakPolarHBondContact CG-O 3.35Å; R114-H151 PolarHBondContact NH2-CD2 2.97Å; E147-H151 PolarHBondContact O-N 2.87Å; E147-H151 VanDerWaalsContact O-N 3.1Å; E147-H151 PolarHBondContact O-ND1 3.48Å; D148-H151 WeakPolarHBondContact O-CB 3.2Å; D148-H151 PolarHBondContact O-N 3.06Å; R149-H151 PolarHBondContact O-N 3.44Å
152I61.5Low62.7Low10 Ų1069.6 Ų69.65%0.05135%0.348CS..  trans-113.5108.7176.2-63.9164000108.4I105 R114 F116 Y141 R149 I155I105-I152 HydrophobicContact CG2-CD1 4.11Å; R114-I152 CarbonylContact O-C 3.58Å; F116-I152 HydrophobicContact CD1-CG2 4.34Å; F116-I152 HydrophobicContact CE1-CG1 4.46Å; F116-I152 HydrophobicContact CE1-CG2 3.42Å; F116-I152 VanDerWaalsContact CE1-CG2 3.42Å; F116-I152 HydrophobicContact CZ-CG2 4.05Å; Y141-I152 HydrophobicContact CD2-CB 4.22Å; Y141-I152 HydrophobicContact CD2-CD1 4.06Å; Y141-I152 HydrophobicContact CD2-CG2 4.32Å; Y141-I152 HydrophobicContact CE2-CB 3.58Å; Y141-I152 HydrophobicContact CE2-CD1 4.19Å; Y141-I152 HydrophobicContact CE2-CG1 4.42Å; Y141-I152 HydrophobicContact CE2-CG2 3.9Å; Y141-I152 PolarHBondContact OH-O 3.14Å; R149-I152 CarbonylContact O-C 3.58Å; R149-I152 PolarHBondContact O-N 2.85Å; R149-I152 VanDerWaalsContact O-N 3.15Å; I152-I155 HydrophobicContact CG2-CD1 4.46Å; I152-I155 HydrophobicContact CG2-CG1 4.11Å
153R58.1Low62.5Low189 Ų18965 Ų6571%0.71334%0.339SS*.  trans-95.8-28.2-167-73-174.6172.3-179.6-2.8115R114R114-R153 PolarHBondContact O-N 2.92Å
154S61Low62.3Low32 Ų3267 Ų6722%0.22434%0.336CS..EExtended strand (participates in β ladder)trans-144123.617877.70000112.1K115 F116K115-S154 WeakPolarHBondContact CG-OG 3.38Å; F116-S154 VanDerWaalsContact O-O 3.05Å
155I61.2Low62Low54 Ų5470.4 Ų70.428%0.27736%0.359SS..EExtended strand (participates in β ladder)trans-110.1105.1166.3-55.1179000106F116 I118 Y141 I152F116-I155 HydrophobicContact CE1-CG1 4.37Å; F116-I155 HydrophobicContact CE2-CG1 4.14Å; F116-I155 HydrophobicContact CE2-CG2 4.19Å; F116-I155 HydrophobicContact CZ-CD1 4.15Å; F116-I155 HydrophobicContact CZ-CG1 3.72Å; I118-I155 HydrophobicContact CD1-CG2 3.36Å; I118-I155 HydrophobicContact CG1-CG2 3.92Å; Y141-I155 HydrophobicContact CD1-CD1 3.94Å; Y141-I155 HydrophobicContact CE1-CD1 4.42Å; Y141-I155 HydrophobicContact CG-CD1 4Å; I152-I155 HydrophobicContact CG2-CD1 4.46Å; I152-I155 HydrophobicContact CG2-CG1 4.11Å
156V57.9Low61.5Low51 Ų5172.1 Ų72.131%0.30936%0.363SS..EExtended strand (participates in β ladder)trans-108.7124176.1-177.80000107.7T117 I118 E158 F178T117-V156 CarbonylContact C-O 3.59Å; T117-V156 VanDerWaalsContact CA-O 3.31Å; T117-V156 WeakPolarHBondContact CA-O 3.34Å; T117-V156 PolarHBondContact OG1-O 3.07Å; T117-V156 VanDerWaalsContact OG1-O 3.04Å; I118-V156 PolarHBondContact N-O 3.27Å; V156-E158 HydrophobicContact CG1-CG 4.09Å; V156-F178 HydrophobicContact CB-CE1 4.46Å; V156-F178 HydrophobicContact CB-CE2 4.31Å; V156-F178 HydrophobicContact CB-CZ 3.8Å; V156-F178 HydrophobicContact CG1-CZ 4.43Å; V156-F178 HydrophobicContact CG2-CE1 4.19Å; V156-F178 HydrophobicContact CG2-CE2 4.47Å; V156-F178 HydrophobicContact CG2-CZ 3.58Å
157A55.7Low61.5Low30 Ų3065.7 Ų65.725%0.24834%0.335CS..EExtended strand (participates in β ladder)trans-109.1121.1-175.800000110I118 Y120 I134I118-A157 HydrophobicContact CB-CB 4.29Å; I118-A157 CarbonylContact O-C 3.49Å; I118-A157 VanDerWaalsContact O-CA 3.31Å; I118-A157 WeakPolarHBondContact O-CA 3.47Å; Y120-A157 HydrophobicContact CE1-CB 3.96Å; I134-A157 HydrophobicContact CD1-CB 3.37Å; I134-A157 HydrophobicContact CG1-CB 3.44Å; I134-A157 VanDerWaalsContact CG1-CB 3.44Å
158E58Low61.8Low60 Ų6062.1 Ų62.128%0.2832%0.316SS..EExtended strand (participates in β ladder)trans-132.8146.4-173.9-69.4-162.4-152.200112.2I118 V119 Y120 V156 F170I118-E158 PolarHBondContact O-N 3.15Å; V119-E158 WeakPolarHBondContact CA-O 3.5Å; Y120-E158 PolarHBondContact N-O 3.47Å; Y120-E158 VanDerWaalsContact N-O 3.13Å; V156-E158 HydrophobicContact CG1-CG 4.09Å; E158-F170 HydrophobicContact CB-CD2 4.05Å; E158-F170 HydrophobicContact CB-CE2 3.39Å; E158-F170 HydrophobicContact CB-CZ 4.29Å; E158-F170 HydrophobicContact CG-CE2 4.16Å; E158-F170 WeakPolarHBondContact OE2-CD2 3.28Å; E158-F170 VanDerWaalsContact OE2-CE2 3.3Å; E158-F170 WeakPolarHBondContact OE2-CE2 3.47Å
159T56.7Low61.9Low53 Ų5364.3 Ų64.333%0.32532%0.324SS..EExtended strand (participates in β ladder)trans-78.9122.7-178.848.30000111.2Y120 D122 P161Y120-T159 HydrophobicContact CD2-CG2 4.32Å; Y120-T159 HydrophobicContact CE2-CG2 3.52Å; Y120-T159 CarbonylContact O-C 3.57Å; Y120-T159 VanDerWaalsContact O-CA 3.26Å; Y120-T159 WeakPolarHBondContact O-CA 3.09Å; D122-T159 HydrophobicContact CB-CG2 3.86Å; T159-P161 VanDerWaalsContact O-CD 3.31Å; T159-P161 WeakPolarHBondContact O-CD 3.49Å
160H64.4Low62.2Low2 Ų260.3 Ų60.31%0.00931%0.309CS..EExtended strand (participates in β ladder)trans-73.6123.7163.2-174.4-78.6000109.7V119 Y120 D122 T167V119-H160 HydrophobicContact CG1-CB 3.6Å; Y120-H160 PolarHBondContact O-N 2.61Å; D122-H160 PolarHBondContact N-O 3.4Å; H160-T167 PolarHBondContact CE1-OG1 3.39Å; H160-T167 WeakPolarHBondContact NE2-CB 3.33Å; H160-T167 WeakPolarHBondContact NE2-CG2 3.44Å; H160-T167 PolarHBondContact NE2-OG1 3.08Å
161P53.5Low62.9Low22 Ų2254.6 Ų54.614%0.14328%0.283CS..PPolyproline II helixtrans-79.9138.2179.3-20.938.9000111.9T159 T163 K166 T167T159-P161 VanDerWaalsContact O-CD 3.31Å; T159-P161 WeakPolarHBondContact O-CD 3.49Å; P161-T163 PolarHBondContact O-N 3.03Å; P161-K166 HydrophobicContact CB-CB 3.05Å; P161-K166 HydrophobicContact CB-CD 3.56Å; P161-K166 HydrophobicContact CB-CG 3.98Å; P161-K166 HydrophobicContact CG-CB 3.49Å; P161-K166 VanDerWaalsContact CG-CB 3.49Å; P161-K166 HydrophobicContact CG-CD 4.44Å; P161-K166 WeakPolarHBondContact CG-O 3.36Å; P161-T167 PolarHBondContact O-OG1 3.19Å
162G57.9Low63.2Low51 Ų5155.8 Ų55.853%0.52629%0.291SS..SBendtrans-64.712-174.500000117.7Q192G162-Q192 PolarHBondContact O-NE2 3.21Å; G162-Q192 PolarHBondContact O-OE1 3.21Å
163T65.3Low63.6Low71 Ų7160.8 Ų60.844%0.43632%0.317SS..SBendtrans-137.9137.7-178.8590000110.3P161 S165 K166 T167P161-T163 PolarHBondContact O-N 3.03Å; T163-S165 VanDerWaalsContact C-N 3.31Å; T163-S165 PolarHBondContact O-N 3.44Å; T163-S165 VanDerWaalsContact O-N 3.14Å; T163-K166 PolarHBondContact O-N 3.34Å; T163-K166 WeakPolarHBondContact OG1-CG 3.19Å; T163-T167 PolarHBondContact O-N 3.02Å; T163-T167 VanDerWaalsContact O-N 3.11Å; T163-T167 PolarHBondContact O-OG1 3.36Å
164R66Low64.2Low111 Ų11151.9 Ų51.942%0.41928%0.284SS..Hα-helixtrans-47.1-45.8-178.4-154-176.8-177158.5-2113.8K166 T167 Y168 S196 D199R164-K166 VanDerWaalsContact C-N 3.29Å; R164-K166 PolarHBondContact O-N 3.48Å; R164-T167 VanDerWaalsContact O-CB 3.28Å; R164-T167 WeakPolarHBondContact O-CB 3.45Å; R164-T167 PolarHBondContact O-N 3.48Å; R164-T167 VanDerWaalsContact O-N 3.12Å; R164-Y168 HydrophobicContact CG-CD2 4.27Å; R164-Y168 HydrophobicContact CG-CE2 3.72Å; R164-Y168 WeakPolarHBondContact O-CD2 3.42Å; R164-Y168 PolarHBondContact O-N 2.97Å; R164-S196 WeakPolarHBondContact CG-OG 3.35Å; R164-D199 IonicContact CZ-OD2 3.78Å; R164-D199 IonicContact NE-OD2 3.89Å; R164-D199 PolarHBondContact NE-OD2 3.44Å; R164-D199 IonicContact NH2-OD1 3.79Å; R164-D199 PolarHBondContact NH2-OD1 3.01Å; R164-D199 IonicContact NH2-OD2 3.4Å; R164-D199 PolarHBondContact NH2-OD2 2.97Å
165S63.8Low64.7Low75 Ų7550.5 Ų50.552%0.52427%0.274SS..Hα-helixtrans-56.6-40.5179173.60000113.6T163 K169T163-S165 VanDerWaalsContact C-N 3.31Å; T163-S165 PolarHBondContact O-N 3.44Å; T163-S165 VanDerWaalsContact O-N 3.14Å; S165-K169 PolarHBondContact O-N 2.95Å
166K64.8Low65.1Low118 Ų11849.4 Ų49.451%0.51327%0.268SS..Hα-helixtrans-79.8-31.4179.8-67.3-176.9-176.5-178.30110.9P161 T163 R164 K169 F170P161-K166 HydrophobicContact CB-CB 3.05Å; P161-K166 HydrophobicContact CB-CD 3.56Å; P161-K166 HydrophobicContact CB-CG 3.98Å; P161-K166 HydrophobicContact CG-CB 3.49Å; P161-K166 VanDerWaalsContact CG-CB 3.49Å; P161-K166 HydrophobicContact CG-CD 4.44Å; P161-K166 WeakPolarHBondContact CG-O 3.36Å; T163-K166 PolarHBondContact O-N 3.34Å; T163-K166 WeakPolarHBondContact OG1-CG 3.19Å; R164-K166 VanDerWaalsContact C-N 3.29Å; R164-K166 PolarHBondContact O-N 3.48Å; K166-K169 PolarHBondContact O-N 3.27Å; K166-F170 PolarHBondContact O-N 3.04Å
167T67.5Low65.9Low0 Ų051.5 Ų51.50%027%0.272CS..Hα-helixtrans-56.2-46.8168-53.70000112H160 P161 T163 R164 K169 F170 L171 S196H160-T167 PolarHBondContact CE1-OG1 3.39Å; H160-T167 WeakPolarHBondContact NE2-CB 3.33Å; H160-T167 WeakPolarHBondContact NE2-CG2 3.44Å; H160-T167 PolarHBondContact NE2-OG1 3.08Å; P161-T167 PolarHBondContact O-OG1 3.19Å; T163-T167 PolarHBondContact O-N 3.02Å; T163-T167 VanDerWaalsContact O-N 3.11Å; T163-T167 PolarHBondContact O-OG1 3.36Å; R164-T167 VanDerWaalsContact O-CB 3.28Å; R164-T167 WeakPolarHBondContact O-CB 3.45Å; R164-T167 PolarHBondContact O-N 3.48Å; R164-T167 VanDerWaalsContact O-N 3.12Å; T167-K169 VanDerWaalsContact C-N 3.32Å; T167-K169 PolarHBondContact O-N 3.12Å; T167-F170 WeakPolarHBondContact O-CB 3.48Å; T167-F170 PolarHBondContact O-N 2.86Å; T167-F170 VanDerWaalsContact O-N 3.15Å; T167-L171 HydrophobicContact CG2-CD1 3.96Å; T167-L171 HydrophobicContact CG2-CG 4.35Å; T167-L171 WeakPolarHBondContact O-CG 3.41Å; T167-L171 PolarHBondContact O-N 2.88Å; T167-S196 WeakPolarHBondContact CG2-OG 3.22Å
168Y70.9Confident67.2Low65 Ų6550.7 Ų50.726%0.25526%0.263SS..Hα-helixtrans-57.8-44.5174.9-76.1-73.4000112.2R164 F170 L171 L172 S196 D199 M200R164-Y168 HydrophobicContact CG-CD2 4.27Å; R164-Y168 HydrophobicContact CG-CE2 3.72Å; R164-Y168 WeakPolarHBondContact O-CD2 3.42Å; R164-Y168 PolarHBondContact O-N 2.97Å; Y168-F170 VanDerWaalsContact C-N 3.26Å; Y168-F170 PolarHBondContact O-N 3.36Å; Y168-L171 PolarHBondContact O-N 3.29Å; Y168-L172 WeakPolarHBondContact O-CB 3.41Å; Y168-L172 VanDerWaalsContact O-CG 3.24Å; Y168-L172 WeakPolarHBondContact O-CG 3.19Å; Y168-L172 PolarHBondContact O-N 3.33Å; Y168-S196 WeakPolarHBondContact CE1-O 3.46Å; Y168-D199 HydrophobicContact CE1-CB 3.99Å; Y168-D199 VanDerWaalsContact OH-CB 3.25Å; Y168-D199 WeakPolarHBondContact OH-CB 3.34Å; Y168-D199 PolarHBondContact OH-OD2 3.03Å; Y168-M200 HydrophobicContact CD1-CG 3.93Å; Y168-M200 HydrophobicContact CD1-SD 3.67Å; Y168-M200 HydrophobicContact CE1-CG 3.92Å; Y168-M200 HydrophobicContact CE1-SD 4.22Å
169K67.9Low68.6Low71 Ų7148 Ų4831%0.30925%0.252SS..Hα-helixtrans-59.7-38.9177.7-71.1179.8-179.1178.70112S165 K166 T167 L173 N498S165-K169 PolarHBondContact O-N 2.95Å; K166-K169 PolarHBondContact O-N 3.27Å; T167-K169 VanDerWaalsContact C-N 3.32Å; T167-K169 PolarHBondContact O-N 3.12Å; K169-L173 WeakPolarHBondContact O-CG 3.41Å; K169-L173 PolarHBondContact O-N 2.65Å; K169-N498 PolarHBondContact NZ-OD1 2.82Å; K169-N498 VanDerWaalsContact NZ-OD1 3.13Å
170F73.6Confident70.2Confident11 Ų1145.5 Ų45.55%0.04824%0.236CC..Hα-helixtrans-64.9-50.1174163.8-102.4000111.4V119 E158 K166 T167 Y168 L172 L173 C174 Y181 M193V119-F170 HydrophobicContact CG1-CE1 4.17Å; V119-F170 HydrophobicContact CG1-CZ 4.36Å; V119-F170 HydrophobicContact CG2-CE1 3.87Å; V119-F170 HydrophobicContact CG2-CZ 3.58Å; E158-F170 HydrophobicContact CB-CD2 4.05Å; E158-F170 HydrophobicContact CB-CE2 3.39Å; E158-F170 HydrophobicContact CB-CZ 4.29Å; E158-F170 HydrophobicContact CG-CE2 4.16Å; E158-F170 WeakPolarHBondContact OE2-CD2 3.28Å; E158-F170 VanDerWaalsContact OE2-CE2 3.3Å; E158-F170 WeakPolarHBondContact OE2-CE2 3.47Å; K166-F170 PolarHBondContact O-N 3.04Å; T167-F170 WeakPolarHBondContact O-CB 3.48Å; T167-F170 PolarHBondContact O-N 2.86Å; T167-F170 VanDerWaalsContact O-N 3.15Å; Y168-F170 VanDerWaalsContact C-N 3.26Å; Y168-F170 PolarHBondContact O-N 3.36Å; F170-L172 PolarHBondContact O-N 2.86Å; F170-L173 WeakPolarHBondContact O-CB 3.36Å; F170-L173 PolarHBondContact O-N 3.48Å; F170-C174 HydrophobicContact CE2-CB 4.3Å; F170-C174 WeakPolarHBondContact CE2-SG 3.28Å; F170-C174 HydrophobicContact CZ-CB 4.25Å; F170-C174 PolarHBondContact O-N 2.92Å; F170-Y181 HydrophobicContact CE1-CD1 4.47Å; F170-Y181 HydrophobicContact CE1-CE1 4.26Å; F170-Y181 HydrophobicContact CZ-CE1 4.31Å; F170-M193 HydrophobicContact CE1-CE 4.32Å
171L73.8Confident71.4Confident0 Ų045.4 Ų45.40%024%0.236CC..Hα-helixtrans-60.4-43179.4-69.1170.5000112.3T167 Y168 L173 C174 E175 Y181 M193 M197 M200T167-L171 HydrophobicContact CG2-CD1 3.96Å; T167-L171 HydrophobicContact CG2-CG 4.35Å; T167-L171 WeakPolarHBondContact O-CG 3.41Å; T167-L171 PolarHBondContact O-N 2.88Å; Y168-L171 PolarHBondContact O-N 3.29Å; L171-L173 PolarHBondContact O-N 3.05Å; L171-C174 PolarHBondContact O-N 2.95Å; L171-E175 WeakPolarHBondContact O-CB 3.37Å; L171-E175 WeakPolarHBondContact O-CG 3.3Å; L171-E175 PolarHBondContact O-N 3.48Å; L171-Y181 HydrophobicContact CD2-CE1 4.26Å; L171-M193 HydrophobicContact CD2-CE 4.05Å; L171-M197 HydrophobicContact CD1-CB 4.36Å; L171-M197 HydrophobicContact CD1-CG 3.47Å; L171-M197 VanDerWaalsContact CD1-CG 3.47Å; L171-M197 HydrophobicContact CD2-CG 3.57Å; L171-M197 HydrophobicContact CD2-SD 4.01Å; L171-M197 HydrophobicContact CG-CG 4.16Å; L171-M200 HydrophobicContact CB-CE 4.17Å; L171-M200 HydrophobicContact CB-SD 3.75Å; L171-M200 HydrophobicContact CD1-SD 3.96Å
172L68.8Low73.2Confident95 Ų9544.3 Ų44.350%0.49723%0.229SC..Hα-helixtrans-59.6-26.5174.7-74.5168.4000113.5Y168 F170 M200Y168-L172 WeakPolarHBondContact O-CB 3.41Å; Y168-L172 VanDerWaalsContact O-CG 3.24Å; Y168-L172 WeakPolarHBondContact O-CG 3.19Å; Y168-L172 PolarHBondContact O-N 3.33Å; F170-L172 PolarHBondContact O-N 2.86Å; L172-M200 HydrophobicContact CD2-CE 3.64Å; L172-M200 HydrophobicContact CG-CE 3.88Å
173L68.1Low74.4Confident116 Ų11642 Ų4261%0.60720%0.204SC*.Hα-helixtrans-82.5-37.7174.6-72.3167.1000111.5K169 F170 L171 F177K169-L173 WeakPolarHBondContact O-CG 3.41Å; K169-L173 PolarHBondContact O-N 2.65Å; F170-L173 WeakPolarHBondContact O-CB 3.36Å; F170-L173 PolarHBondContact O-N 3.48Å; L171-L173 PolarHBondContact O-N 3.05Å; L173-F177 WeakPolarHBondContact O-CD2 3.48Å; L173-F177 VanDerWaalsContact O-CE2 3.3Å; L173-F177 WeakPolarHBondContact O-CE2 3.31Å
174C71Confident75.1Confident1 Ų138.7 Ų38.71%0.00718%0.184CC..Hα-helixtrans-94.7-24.8-169.5-66.70000115.3F170 L171 H176 F177 F178 Y181F170-C174 HydrophobicContact CE2-CB 4.3Å; F170-C174 WeakPolarHBondContact CE2-SG 3.28Å; F170-C174 HydrophobicContact CZ-CB 4.25Å; F170-C174 PolarHBondContact O-N 2.92Å; L171-C174 PolarHBondContact O-N 2.95Å; C174-H176 PolarHBondContact O-N 3.49Å; C174-H176 VanDerWaalsContact O-N 3.16Å; C174-F177 PolarHBondContact O-N 2.7Å; C174-F178 HydrophobicContact CB-CD2 4.25Å; C174-F178 PolarHBondContact O-N 3.36Å; C174-Y181 VanDerWaalsContact C-OH 3.26Å; C174-Y181 HydrophobicContact CB-CE1 4Å; C174-Y181 PolarHBondContact O-OH 3.3Å
175E71.2Confident75.3Confident3 Ų335 Ų351%0.01418%0.181CC..THydrogen-bonded Turntrans-58.1-32.5-175.768.1-169.8178.200112.7L171 F177 Y181 M200 L202 Y208 H424L171-E175 WeakPolarHBondContact O-CB 3.37Å; L171-E175 WeakPolarHBondContact O-CG 3.3Å; L171-E175 PolarHBondContact O-N 3.48Å; E175-F177 VanDerWaalsContact C-N 3.27Å; E175-F177 PolarHBondContact O-N 3.22Å; E175-Y181 WeakPolarHBondContact CA-OH 3.17Å; E175-Y181 PolarHBondContact N-OH 3.5Å; E175-M200 WeakPolarHBondContact OE2-CE 3.49Å; E175-L202 HydrophobicContact CB-CD1 4.45Å; E175-L202 HydrophobicContact CB-CD2 4.2Å; E175-Y208 HydrophobicContact CB-CE1 4.43Å; E175-Y208 PolarHBondContact O-OH 2.98Å; E175-H424 IonicContact OE1-CD2 3.54Å; E175-H424 IonicContact OE1-CE1 3.39Å; E175-H424 IonicContact OE1-CG 2.99Å; E175-H424 IonicContact OE1-ND1 3.4Å; E175-H424 PolarHBondContact OE1-ND1 2.94Å; E175-H424 IonicContact OE2-CE1 3.55Å; E175-H424 PolarHBondContact OE2-CE1 3.35Å; E175-H424 IonicContact OE2-ND1 3.63Å; E175-H424 PolarHBondContact OE2-ND1 3.48Å; E175-H424 IonicContact OE2-NE2 2.72Å; E175-H424 PolarHBondContact OE2-NE2 2.9Å
176H70.7Confident75.6Confident32 Ų3234.8 Ų34.815%0.14818%0.179CC..THydrogen-bonded Turntrans-84.38.8176.7-57.2-56000114.8C174 F400C174-H176 PolarHBondContact O-N 3.49Å; C174-H176 VanDerWaalsContact O-N 3.16Å; H176-F400 WeakPolarHBondContact O-CB 3.17Å; H176-F400 VanDerWaalsContact O-CG 3.28Å; H176-F400 WeakPolarHBondContact O-CG 3.29Å
177F74.7Confident75.9Confident94 Ų9429.6 Ų29.641%0.41216%0.157SC..THydrogen-bonded Turntrans-131.4-24178.2-61.3-80.5000113.1K115 L173 C174 E175 F400 H401K115-F177 WeakPolarHBondContact CD-O 3.46Å; K115-F177 WeakPolarHBondContact CE-O 3.44Å; K115-F177 PolarHBondContact NZ-O 3.12Å; L173-F177 WeakPolarHBondContact O-CD2 3.48Å; L173-F177 VanDerWaalsContact O-CE2 3.3Å; L173-F177 WeakPolarHBondContact O-CE2 3.31Å; C174-F177 PolarHBondContact O-N 2.7Å; E175-F177 VanDerWaalsContact C-N 3.27Å; E175-F177 PolarHBondContact O-N 3.22Å; F177-F400 WeakPolarHBondContact O-CE2 3.34Å; F177-F400 WeakPolarHBondContact O-CZ 3.32Å; F177-H401 AromaticContact CD1-NE2 3.96Å; F177-H401 AromaticContact CE1-NE2 3.33Å; F177-H401 VanDerWaalsContact CE1-NE2 3.33Å; F177-H401 WeakPolarHBondContact CE1-NE2 3.47Å; F177-H401 AromaticContact CZ-NE2 3.6Å
178F83.6Confident76.1Confident13 Ų1332.9 Ų32.96%0.05718%0.18CC..  trans-141.3129.7-172.1-53.2-73.9000111.9K115 T117 V156 C174 Y181K115-F178 HydrophobicContact CG-CD1 4Å; K115-F178 HydrophobicContact CG-CE1 4Å; T117-F178 HydrophobicContact CG2-CB 3.97Å; T117-F178 HydrophobicContact CG2-CD2 4.17Å; T117-F178 HydrophobicContact CG2-CG 4.07Å; V156-F178 HydrophobicContact CB-CE1 4.46Å; V156-F178 HydrophobicContact CB-CE2 4.31Å; V156-F178 HydrophobicContact CB-CZ 3.8Å; V156-F178 HydrophobicContact CG1-CZ 4.43Å; V156-F178 HydrophobicContact CG2-CE1 4.19Å; V156-F178 HydrophobicContact CG2-CE2 4.47Å; V156-F178 HydrophobicContact CG2-CZ 3.58Å; C174-F178 HydrophobicContact CB-CD2 4.25Å; C174-F178 PolarHBondContact O-N 3.36Å; F178-Y181 WeakPolarHBondContact O-CE2 3.32Å; F178-Y181 PolarHBondContact O-OH 3.47Å; F178-Y181 VanDerWaalsContact O-OH 3.08Å
179A87.4Confident76.2Confident4 Ų430.4 Ų30.43%0.03317%0.173CC..SBendtrans-96.7-22.7170.600000112.7Y208 V209 E393 F400A179-Y208 HydrophobicContact CB-CD1 4.38Å; A179-Y208 WeakPolarHBondContact O-CA 3.44Å; A179-V209 PolarHBondContact O-N 2.96Å; A179-E393 WeakPolarHBondContact CB-O 3.36Å; A179-F400 HydrophobicContact CB-CE1 4.41Å; A179-F400 HydrophobicContact CB-CZ 4.16Å
180V90.5Very high76.7Confident0 Ų027 Ų270%016%0.158CC..EExtended strand (participates in β ladder)trans-109.2118.7-177.7-177.60000110.2L108 W113 F116 T117 V209 I211 D394L108-V180 HydrophobicContact CD2-CG1 3.86Å; W113-V180 HydrophobicContact CB-CG2 4.28Å; W113-V180 HydrophobicContact CD2-CG1 4.33Å; W113-V180 HydrophobicContact CD2-CG2 3.75Å; W113-V180 HydrophobicContact CE3-CG1 4.06Å; W113-V180 HydrophobicContact CE3-CG2 4.29Å; W113-V180 HydrophobicContact CG-CG2 3.79Å; W113-V180 HydrophobicContact CZ2-CG2 4.49Å; W113-V180 HydrophobicContact CZ3-CG1 4.44Å; F116-V180 WeakPolarHBondContact CA-O 3.32Å; F116-V180 HydrophobicContact CB-CB 3.88Å; F116-V180 HydrophobicContact CB-CG1 3.89Å; F116-V180 WeakPolarHBondContact CB-O 3.04Å; T117-V180 PolarHBondContact N-O 3.14Å; T117-V180 VanDerWaalsContact N-O 3.1Å; V180-V209 HydrophobicContact CB-CG1 4.25Å; V180-V209 HydrophobicContact CG1-CG1 4.17Å; V180-V209 HydrophobicContact CG2-CG1 3.88Å; V180-I211 HydrophobicContact CG1-CD1 3.9Å; V180-D394 HydrophobicContact CG2-CB 4.1Å
181Y89.4Confident76.8Confident0 Ų028.1 Ų28.10%016%0.163CC..EExtended strand (participates in β ladder)trans-113.2112.3-178.7-67.9-100.7000110.5T117 V119 F170 L171 C174 E175 F178 M193 M197 Y208 V209 I210 I211T117-Y181 HydrophobicContact CG2-CD1 3.28Å; T117-Y181 HydrophobicContact CG2-CE1 3.54Å; T117-Y181 HydrophobicContact CG2-CG 3.93Å; V119-Y181 HydrophobicContact CG2-CD1 3.99Å; F170-Y181 HydrophobicContact CE1-CD1 4.47Å; F170-Y181 HydrophobicContact CE1-CE1 4.26Å; F170-Y181 HydrophobicContact CZ-CE1 4.31Å; L171-Y181 HydrophobicContact CD2-CE1 4.26Å; C174-Y181 VanDerWaalsContact C-OH 3.26Å; C174-Y181 HydrophobicContact CB-CE1 4Å; C174-Y181 PolarHBondContact O-OH 3.3Å; E175-Y181 WeakPolarHBondContact CA-OH 3.17Å; E175-Y181 PolarHBondContact N-OH 3.5Å; F178-Y181 WeakPolarHBondContact O-CE2 3.32Å; F178-Y181 PolarHBondContact O-OH 3.47Å; F178-Y181 VanDerWaalsContact O-OH 3.08Å; Y181-M193 HydrophobicContact CD1-CE 3.37Å; Y181-M193 HydrophobicContact CE1-CE 4.14Å; Y181-M193 HydrophobicContact CG-CE 3.72Å; Y181-M197 HydrophobicContact CD2-CE 4.19Å; Y181-M197 HydrophobicContact CE2-CE 4.11Å; Y181-Y208 AromaticContact CE2-CD1 3.99Å; Y181-Y208 HydrophobicContact CE2-CD1 3.99Å; Y181-V209 PolarHBondContact N-O 3.12Å; Y181-I210 CarbonylContact O-C 3.55Å; Y181-I210 WeakPolarHBondContact O-CA 3.28Å; Y181-I211 PolarHBondContact O-N 3.09Å
182V89.9Confident76.9Confident0 Ų030.7 Ų30.70%018%0.175CC..EExtended strand (participates in β ladder)trans-94.2115.2174.3-178.20000108.7L108 F116 T117 I118 V119 F137 I211 L213L108-V182 HydrophobicContact CD1-CG2 4.34Å; L108-V182 HydrophobicContact CD2-CG2 4.41Å; F116-V182 HydrophobicContact CB-CG2 4.5Å; F116-V182 HydrophobicContact CD2-CB 4.41Å; F116-V182 HydrophobicContact CD2-CG2 3.72Å; F116-V182 HydrophobicContact CE2-CG2 4.23Å; F116-V182 HydrophobicContact CG-CG2 4.28Å; T117-V182 PolarHBondContact O-N 2.77Å; I118-V182 CarbonylContact C-O 3.27Å; I118-V182 VanDerWaalsContact CA-O 3.25Å; I118-V182 WeakPolarHBondContact CA-O 3.07Å; I118-V182 HydrophobicContact CG1-CB 4.47Å; V119-V182 PolarHBondContact N-O 3.17Å; F137-V182 HydrophobicContact CE1-CG1 4.37Å; F137-V182 HydrophobicContact CE2-CG1 4.13Å; F137-V182 HydrophobicContact CZ-CG1 3.62Å; V182-I211 CarbonylContact C-O 3.41Å; V182-I211 WeakPolarHBondContact CA-O 3.49Å; V182-I211 HydrophobicContact CG2-CB 4.43Å; V182-I211 HydrophobicContact CG2-CD1 4.24Å; V182-L213 HydrophobicContact CG1-CD1 3.62Å; V182-L213 HydrophobicContact CG1-CG 4.1Å
183M84Confident77.4Confident1 Ų126.1 Ų26.11%0.00515%0.152CC..EExtended strand (participates in β ladder)trans-114.6129.2-170.9-174.8177.3-177.600113V119 A189 L190 M193 I210 I211 Y212 L213V119-M183 HydrophobicContact CB-CB 4.33Å; V119-M183 HydrophobicContact CB-CG 4.23Å; V119-M183 HydrophobicContact CG1-CG 4.34Å; V119-M183 CarbonylContact O-C 3.5Å; V119-M183 WeakPolarHBondContact O-CA 3.5Å; M183-A189 VanDerWaalsContact CE-C 3.4Å; M183-A189 HydrophobicContact CE-CB 3.56Å; M183-L190 HydrophobicContact CE-CB 4.35Å; M183-L190 VanDerWaalsContact CE-N 3.34Å; M183-L190 HydrophobicContact SD-CB 4.12Å; M183-L190 HydrophobicContact SD-CD1 3.84Å; M183-M193 HydrophobicContact CE-SD 4.45Å; M183-M193 HydrophobicContact SD-CB 4.33Å; M183-M193 HydrophobicContact SD-SD 3.6Å; M183-I210 HydrophobicContact CB-CG2 4.36Å; M183-I211 PolarHBondContact N-O 3.38Å; M183-Y212 HydrophobicContact CB-CD2 4.36Å; M183-Y212 HydrophobicContact CG-CD2 4.32Å; M183-Y212 HydrophobicContact SD-CD2 4.47Å; M183-L213 PolarHBondContact O-N 3.14Å
184F78.7Confident78Confident3 Ų320.8 Ų20.81%0.01312%0.123CC..EExtended strand (participates in β ladder)trans-105.5141.2161.5-69.3-84.4000110.2I100 I118 V119 Y120 N133 F137 L213I100-F184 HydrophobicContact CG2-CE1 4.01Å; I118-F184 HydrophobicContact CG2-CD2 3.94Å; I118-F184 HydrophobicContact CG2-CE2 4.13Å; V119-F184 PolarHBondContact O-N 2.98Å; Y120-F184 WeakPolarHBondContact CA-O 3.4Å; N133-F184 HydrophobicContact CB-CD2 3.88Å; N133-F184 HydrophobicContact CB-CE2 4.02Å; N133-F184 HydrophobicContact CB-CG 4.28Å; N133-F184 WeakPolarHBondContact ND2-CB 3.39Å; F137-F184 AromaticContact CD2-CE2 3.8Å; F137-F184 HydrophobicContact CD2-CE2 3.8Å; F137-F184 AromaticContact CD2-CZ 3.99Å; F137-F184 HydrophobicContact CD2-CZ 3.99Å; F137-F184 AromaticContact CE2-CE2 3.42Å; F137-F184 HydrophobicContact CE2-CE2 3.42Å; F137-F184 VanDerWaalsContact CE2-CE2 3.42Å; F137-F184 AromaticContact CE2-CZ 3.5Å; F137-F184 HydrophobicContact CE2-CZ 3.5Å; F137-F184 VanDerWaalsContact CE2-CZ 3.5Å; F184-L213 HydrophobicContact CD1-CB 4.01Å; F184-L213 HydrophobicContact CD1-CD1 4.32Å; F184-L213 HydrophobicContact CD2-CD1 4.39Å; F184-L213 HydrophobicContact CE1-CB 3.96Å; F184-L213 HydrophobicContact CE1-CD1 3.73Å; F184-L213 HydrophobicContact CE2-CD1 3.83Å; F184-L213 HydrophobicContact CZ-CD1 3.48Å; F184-L213 VanDerWaalsContact CZ-CD1 3.48Å
185G70.7Confident78.3Confident34 Ų3423.8 Ų23.835%0.35114%0.135SC..SBendtrans158.7-170.6171.200000113Y212G185-Y212 PolarHBondContact O-OH 3.01Å
186S70.4Confident78.7Confident70 Ų7023.7 Ų23.749%0.4914%0.135SC..  trans-74.7153.7167.566.40000109.6S188 A189 L190S186-S188 PolarHBondContact O-N 3.22Å; S186-A189 WeakPolarHBondContact O-CA 3.33Å; S186-A189 WeakPolarHBondContact O-CB 3.47Å; S186-A189 PolarHBondContact O-N 3.04Å; S186-A189 PolarHBondContact OG-N 2.78Å; S186-L190 PolarHBondContact O-N 3.06Å
187V71.3Confident79.3Confident9 Ų922.1 Ų22.16%0.05513%0.128CC..Hα-helixtrans-61.2-30.5174.1167.50000112.6A189 L190 Q191 Y212 Y229V187-A189 PolarHBondContact O-N 3.38Å; V187-L190 CarbonylContact O-C 3.46Å; V187-L190 WeakPolarHBondContact O-CA 3.41Å; V187-L190 WeakPolarHBondContact O-CB 3.44Å; V187-L190 PolarHBondContact O-N 2.75Å; V187-Q191 HydrophobicContact CG1-CG 4.06Å; V187-Q191 WeakPolarHBondContact O-CG 3.5Å; V187-Q191 PolarHBondContact O-N 3.05Å; V187-Y212 HydrophobicContact CG2-CE1 3.71Å; V187-Y212 WeakPolarHBondContact CG2-OH 3.45Å; V187-Y212 PolarHBondContact N-OH 3.33Å; V187-Y229 HydrophobicContact CB-CD1 3.18Å; V187-Y229 HydrophobicContact CB-CE1 3.59Å; V187-Y229 HydrophobicContact CB-CG 4.14Å; V187-Y229 HydrophobicContact CG1-CD1 3.64Å; V187-Y229 HydrophobicContact CG1-CE1 4.48Å; V187-Y229 HydrophobicContact CG1-CG 4.35Å; V187-Y229 HydrophobicContact CG2-CD1 2.93Å; V187-Y229 HydrophobicContact CG2-CE1 3.34Å; V187-Y229 HydrophobicContact CG2-CG 3.53Å
188S70.5Confident79.4Confident69 Ų6919.4 Ų19.448%0.48312%0.117SC..Hα-helixtrans-54.2-38.6171.2-56.60000112.6S186 Q192S186-S188 PolarHBondContact O-N 3.22Å; S188-Q192 WeakPolarHBondContact O-CG 3.32Å; S188-Q192 PolarHBondContact O-N 3.33Å
189A74.1Confident79.1Confident12 Ų1222.6 Ų22.610%0.09914%0.135CC..Hα-helixtrans-69.7-42174.100000111.3M183 S186 V187 Q191 Q192 M193M183-A189 VanDerWaalsContact CE-C 3.4Å; M183-A189 HydrophobicContact CE-CB 3.56Å; S186-A189 WeakPolarHBondContact O-CA 3.33Å; S186-A189 WeakPolarHBondContact O-CB 3.47Å; S186-A189 PolarHBondContact O-N 3.04Å; S186-A189 PolarHBondContact OG-N 2.78Å; V187-A189 PolarHBondContact O-N 3.38Å; A189-Q191 VanDerWaalsContact C-N 3.3Å; A189-Q191 PolarHBondContact O-N 3.45Å; A189-Q192 PolarHBondContact O-N 3.37Å; A189-M193 PolarHBondContact O-N 3.22Å
190L78.3Confident78.6Confident0 Ų023.7 Ų23.70%014%0.14CC..Hα-helixtrans-57.2-42.9174.1176.667.8000111.6M183 S186 V187 M193 L194 I210 Y212 F230 L243M183-L190 HydrophobicContact CE-CB 4.35Å; M183-L190 VanDerWaalsContact CE-N 3.34Å; M183-L190 HydrophobicContact SD-CB 4.12Å; M183-L190 HydrophobicContact SD-CD1 3.84Å; S186-L190 PolarHBondContact O-N 3.06Å; V187-L190 CarbonylContact O-C 3.46Å; V187-L190 WeakPolarHBondContact O-CA 3.41Å; V187-L190 WeakPolarHBondContact O-CB 3.44Å; V187-L190 PolarHBondContact O-N 2.75Å; L190-M193 PolarHBondContact O-N 2.97Å; L190-L194 HydrophobicContact CD1-CD1 4.17Å; L190-L194 HydrophobicContact CD1-CG 4.19Å; L190-L194 HydrophobicContact CD2-CD1 4.36Å; L190-L194 HydrophobicContact CG-CD1 3.84Å; L190-L194 HydrophobicContact CG-CG 4.31Å; L190-L194 WeakPolarHBondContact O-CB 3.41Å; L190-L194 WeakPolarHBondContact O-CG 3.49Å; L190-L194 PolarHBondContact O-N 3.24Å; L190-I210 HydrophobicContact CD1-CG2 3.9Å; L190-Y212 HydrophobicContact CB-CD2 4.05Å; L190-Y212 HydrophobicContact CB-CE2 3.98Å; L190-Y212 HydrophobicContact CD1-CD2 3.93Å; L190-Y212 HydrophobicContact CD1-CG 4.17Å; L190-Y212 HydrophobicContact CD2-CD1 3.77Å; L190-Y212 HydrophobicContact CD2-CD2 3.78Å; L190-Y212 HydrophobicContact CD2-CE1 4.12Å; L190-Y212 HydrophobicContact CD2-CE2 4.14Å; L190-Y212 HydrophobicContact CD2-CG 3.59Å; L190-Y212 HydrophobicContact CG-CD2 4.12Å; L190-Y212 HydrophobicContact CG-CE2 4.48Å; L190-Y212 HydrophobicContact CG-CG 4.35Å; L190-F230 HydrophobicContact CD2-CE1 3.88Å; L190-F230 HydrophobicContact CD2-CZ 4.46Å; L190-L243 HydrophobicContact CD1-CD1 4.16Å
191Q75.4Confident78Confident34 Ų3429 Ų2916%0.15916%0.164CC..Hα-helixtrans-64.6-43.6178.3-26.2-171.5-75.700110.8V187 A189 M193 L194 Y195 A233 T234V187-Q191 HydrophobicContact CG1-CG 4.06Å; V187-Q191 WeakPolarHBondContact O-CG 3.5Å; V187-Q191 PolarHBondContact O-N 3.05Å; A189-Q191 VanDerWaalsContact C-N 3.3Å; A189-Q191 PolarHBondContact O-N 3.45Å; Q191-M193 PolarHBondContact O-N 3.42Å; Q191-L194 PolarHBondContact O-N 3.05Å; Q191-Y195 HydrophobicContact CB-CD2 4.13Å; Q191-Y195 HydrophobicContact CB-CE2 3.82Å; Q191-Y195 WeakPolarHBondContact O-CB 3.14Å; Q191-Y195 WeakPolarHBondContact O-CD2 3.32Å; Q191-Y195 VanDerWaalsContact O-CG 3.29Å; Q191-Y195 PolarHBondContact O-N 3.12Å; Q191-A233 PolarHBondContact NE2-O 3.31Å; Q191-T234 HydrophobicContact CB-CG2 3.78Å; Q191-T234 HydrophobicContact CG-CG2 3.47Å; Q191-T234 VanDerWaalsContact CG-CG2 3.47Å
192Q75.7Confident77.5Confident54 Ų5429.1 Ų29.125%0.25217%0.165SC..Hα-helixtrans-58.8-40.7176.4-72.3178.51200111.4G162 S188 A189 S196G162-Q192 PolarHBondContact O-NE2 3.21Å; G162-Q192 PolarHBondContact O-OE1 3.21Å; S188-Q192 WeakPolarHBondContact O-CG 3.32Å; S188-Q192 PolarHBondContact O-N 3.33Å; A189-Q192 PolarHBondContact O-N 3.37Å; Q192-S196 VanDerWaalsContact O-CB 3.31Å; Q192-S196 WeakPolarHBondContact O-CB 3.34Å; Q192-S196 PolarHBondContact O-N 3.09Å; Q192-S196 PolarHBondContact O-OG 2.62Å
193M80.4Confident76.8Confident0 Ų029.2 Ų29.20%017%0.165CC..Hα-helixtrans-66.4-48.4176-167.8168.4175.500111.8V119 F170 L171 Y181 M183 A189 L190 Q191 Y195 S196 M197 I210V119-M193 HydrophobicContact CG1-SD 4.1Å; V119-M193 HydrophobicContact CG2-CE 4.15Å; F170-M193 HydrophobicContact CE1-CE 4.32Å; L171-M193 HydrophobicContact CD2-CE 4.05Å; Y181-M193 HydrophobicContact CD1-CE 3.37Å; Y181-M193 HydrophobicContact CE1-CE 4.14Å; Y181-M193 HydrophobicContact CG-CE 3.72Å; M183-M193 HydrophobicContact CE-SD 4.45Å; M183-M193 HydrophobicContact SD-CB 4.33Å; M183-M193 HydrophobicContact SD-SD 3.6Å; A189-M193 PolarHBondContact O-N 3.22Å; L190-M193 PolarHBondContact O-N 2.97Å; Q191-M193 PolarHBondContact O-N 3.42Å; M193-Y195 PolarHBondContact O-N 3.35Å; M193-S196 PolarHBondContact O-N 3.49Å; M193-M197 HydrophobicContact CE-SD 3.92Å; M193-M197 HydrophobicContact CG-CG 4.37Å; M193-M197 HydrophobicContact CG-SD 4.16Å; M193-M197 WeakPolarHBondContact O-CB 3.14Å; M193-M197 WeakPolarHBondContact O-CG 3.3Å; M193-M197 PolarHBondContact O-N 3.36Å; M193-I210 HydrophobicContact CE-CG1 4.36Å; M193-I210 HydrophobicContact CG-CD1 4.31Å
194L80.3Confident76.1Confident3 Ų332.3 Ų32.32%0.01619%0.187CC..Hα-helixtrans-59.3-43.4176.7-73.9168000112.4L190 Q191 D198 L203 I210 T234 L243L190-L194 HydrophobicContact CD1-CD1 4.17Å; L190-L194 HydrophobicContact CD1-CG 4.19Å; L190-L194 HydrophobicContact CD2-CD1 4.36Å; L190-L194 HydrophobicContact CG-CD1 3.84Å; L190-L194 HydrophobicContact CG-CG 4.31Å; L190-L194 WeakPolarHBondContact O-CB 3.41Å; L190-L194 WeakPolarHBondContact O-CG 3.49Å; L190-L194 PolarHBondContact O-N 3.24Å; Q191-L194 PolarHBondContact O-N 3.05Å; L194-D198 WeakPolarHBondContact O-CB 3.4Å; L194-D198 PolarHBondContact O-N 2.94Å; L194-L203 HydrophobicContact CD2-CD1 3.8Å; L194-I210 HydrophobicContact CD2-CD1 3.65Å; L194-I210 HydrophobicContact CG-CD1 4.25Å; L194-T234 HydrophobicContact CD1-CG2 4.24Å; L194-L243 HydrophobicContact CD1-CD2 3.99Å; L194-L243 HydrophobicContact CD2-CD2 4.34Å
195Y77.8Confident75.8Confident65 Ų6534.1 Ų34.126%0.25521%0.207SC..Hα-helixtrans-63.4-47.4175.3-72.2-48000110.9Q191 M193 D198 D199 T237Q191-Y195 HydrophobicContact CB-CD2 4.13Å; Q191-Y195 HydrophobicContact CB-CE2 3.82Å; Q191-Y195 WeakPolarHBondContact O-CB 3.14Å; Q191-Y195 WeakPolarHBondContact O-CD2 3.32Å; Q191-Y195 VanDerWaalsContact O-CG 3.29Å; Q191-Y195 PolarHBondContact O-N 3.12Å; M193-Y195 PolarHBondContact O-N 3.35Å; Y195-D198 WeakPolarHBondContact O-CB 3.48Å; Y195-D198 PolarHBondContact O-N 3.39Å; Y195-D199 PolarHBondContact O-N 3.3Å; Y195-T237 HydrophobicContact CE1-CG2 3.95Å; Y195-T237 WeakPolarHBondContact CE1-OG1 2.72Å
196S79.7Confident76.1Confident0 Ų032.8 Ų32.80%019%0.193CC..Hα-helixtrans-66.5-42.7-177.4-52.40000111.8R164 T167 Y168 Q192 M193 D198 D199 M200R164-S196 WeakPolarHBondContact CG-OG 3.35Å; T167-S196 WeakPolarHBondContact CG2-OG 3.22Å; Y168-S196 WeakPolarHBondContact CE1-O 3.46Å; Q192-S196 VanDerWaalsContact O-CB 3.31Å; Q192-S196 WeakPolarHBondContact O-CB 3.34Å; Q192-S196 PolarHBondContact O-N 3.09Å; Q192-S196 PolarHBondContact O-OG 2.62Å; M193-S196 PolarHBondContact O-N 3.49Å; S196-D198 VanDerWaalsContact C-N 3.27Å; S196-D198 PolarHBondContact O-N 3.3Å; S196-D199 PolarHBondContact O-N 3.1Å; S196-M200 WeakPolarHBondContact O-CG 3.44Å; S196-M200 PolarHBondContact O-N 3.43Å
197M82.2Confident76.8Confident0 Ų034.4 Ų34.40%019%0.193CC..Hα-helixtrans-65.5-33176.7-72.3-172.280.100112.3L171 Y181 M193 M200 E201 L202 L203 Y208 I210L171-M197 HydrophobicContact CD1-CB 4.36Å; L171-M197 HydrophobicContact CD1-CG 3.47Å; L171-M197 VanDerWaalsContact CD1-CG 3.47Å; L171-M197 HydrophobicContact CD2-CG 3.57Å; L171-M197 HydrophobicContact CD2-SD 4.01Å; L171-M197 HydrophobicContact CG-CG 4.16Å; Y181-M197 HydrophobicContact CD2-CE 4.19Å; Y181-M197 HydrophobicContact CE2-CE 4.11Å; M193-M197 HydrophobicContact CE-SD 3.92Å; M193-M197 HydrophobicContact CG-CG 4.37Å; M193-M197 HydrophobicContact CG-SD 4.16Å; M193-M197 WeakPolarHBondContact O-CB 3.14Å; M193-M197 WeakPolarHBondContact O-CG 3.3Å; M193-M197 PolarHBondContact O-N 3.36Å; M197-M200 CarbonylContact O-C 3.48Å; M197-M200 PolarHBondContact O-N 2.8Å; M197-E201 PolarHBondContact O-N 2.86Å; M197-L202 HydrophobicContact CB-CB 4.21Å; M197-L202 HydrophobicContact CB-CD1 4.19Å; M197-L202 HydrophobicContact CE-CB 3.99Å; M197-L202 HydrophobicContact CE-CD1 3.9Å; M197-L202 HydrophobicContact CG-CD1 4.02Å; M197-L202 WeakPolarHBondContact O-CB 3.23Å; M197-L202 PolarHBondContact O-N 3.42Å; M197-L203 HydrophobicContact CB-CD1 3.87Å; M197-L203 HydrophobicContact CB-CG 3.98Å; M197-L203 HydrophobicContact CE-CD2 4.04Å; M197-L203 HydrophobicContact CE-CG 4.44Å; M197-L203 HydrophobicContact SD-CD2 4.42Å; M197-Y208 HydrophobicContact CE-CG 4.48Å; M197-I210 HydrophobicContact SD-CD1 3.48Å; M197-I210 WeakPolarHBondContact SD-CD1 3.4Å; M197-I210 HydrophobicContact SD-CG1 3.82Å
198D76.4Confident77.6Confident37 Ų3734.9 Ų34.920%0.19819%0.194CC..Hα-helixtrans-72.4-43.4175.2176.452.3000114.3L194 Y195 S196 M200 E201 R241L194-D198 WeakPolarHBondContact O-CB 3.4Å; L194-D198 PolarHBondContact O-N 2.94Å; Y195-D198 WeakPolarHBondContact O-CB 3.48Å; Y195-D198 PolarHBondContact O-N 3.39Å; S196-D198 VanDerWaalsContact C-N 3.27Å; S196-D198 PolarHBondContact O-N 3.3Å; D198-M200 PolarHBondContact O-N 3.43Å; D198-M200 VanDerWaalsContact O-N 3.08Å; D198-E201 WeakPolarHBondContact O-CA 3.36Å; D198-E201 PolarHBondContact O-N 3.37Å; D198-R241 VanDerWaalsContact CB-CZ 3.43Å; D198-R241 IonicContact OD1-CZ 3.88Å; D198-R241 IonicContact OD1-NE 2.67Å; D198-R241 PolarHBondContact OD1-NE 3.34Å; D198-R241 IonicContact OD1-NH1 3.48Å; D198-R241 PolarHBondContact OD1-NH1 3.34Å; D198-R241 IonicContact OD1-NH2 3.88Å; D198-R241 PolarHBondContact OD1-NH2 3.18Å; D198-R241 IonicContact OD2-CZ 3.66Å; D198-R241 IonicContact OD2-NH1 2.83Å; D198-R241 PolarHBondContact OD2-NH1 2.86Å; D198-R241 IonicContact OD2-NH2 3.41Å; D198-R241 PolarHBondContact OD2-NH2 2.88Å
199D77Confident78.5Confident79 Ų7931.6 Ų31.642%0.42217%0.171SC..Hα-helixtrans-61.3-20174.1-58.4-50.8000111.3R164 Y168 Y195 S196R164-D199 IonicContact CZ-OD2 3.78Å; R164-D199 IonicContact NE-OD2 3.89Å; R164-D199 PolarHBondContact NE-OD2 3.44Å; R164-D199 IonicContact NH2-OD1 3.79Å; R164-D199 PolarHBondContact NH2-OD1 3.01Å; R164-D199 IonicContact NH2-OD2 3.4Å; R164-D199 PolarHBondContact NH2-OD2 2.97Å; Y168-D199 HydrophobicContact CE1-CB 3.99Å; Y168-D199 VanDerWaalsContact OH-CB 3.25Å; Y168-D199 WeakPolarHBondContact OH-CB 3.34Å; Y168-D199 PolarHBondContact OH-OD2 3.03Å; Y195-D199 PolarHBondContact O-N 3.3Å; S196-D199 PolarHBondContact O-N 3.1Å
200M77.3Confident79.2Confident27 Ų2731 Ų3113%0.13317%0.166CC..THydrogen-bonded Turntrans-93.23.1172.6-63.8174.275.800113.7Y168 L171 L172 E175 S196 M197 D198 L202Y168-M200 HydrophobicContact CD1-CG 3.93Å; Y168-M200 HydrophobicContact CD1-SD 3.67Å; Y168-M200 HydrophobicContact CE1-CG 3.92Å; Y168-M200 HydrophobicContact CE1-SD 4.22Å; L171-M200 HydrophobicContact CB-CE 4.17Å; L171-M200 HydrophobicContact CB-SD 3.75Å; L171-M200 HydrophobicContact CD1-SD 3.96Å; L172-M200 HydrophobicContact CD2-CE 3.64Å; L172-M200 HydrophobicContact CG-CE 3.88Å; E175-M200 WeakPolarHBondContact OE2-CE 3.49Å; S196-M200 WeakPolarHBondContact O-CG 3.44Å; S196-M200 PolarHBondContact O-N 3.43Å; M197-M200 CarbonylContact O-C 3.48Å; M197-M200 PolarHBondContact O-N 2.8Å; D198-M200 PolarHBondContact O-N 3.43Å; D198-M200 VanDerWaalsContact O-N 3.08Å; M200-L202 HydrophobicContact CB-CD1 4.08Å; M200-L202 HydrophobicContact CB-CG 3.98Å; M200-L202 HydrophobicContact CE-CD1 4.38Å; M200-L202 PolarHBondContact O-N 2.99Å; M200-L202 VanDerWaalsContact O-N 3.1Å; M200-L202 HydrophobicContact SD-CD1 4.33Å
201E77.9Confident79.8Confident112 Ų11231 Ų3152%0.52317%0.166SC..THydrogen-bonded Turntrans56.120.1-177.7-59.8-176.7-178.300114.8M197 D198 L203 S204M197-E201 PolarHBondContact O-N 2.86Å; D198-E201 WeakPolarHBondContact O-CA 3.36Å; D198-E201 PolarHBondContact O-N 3.37Å; E201-L203 VanDerWaalsContact C-N 3.35Å; E201-L203 PolarHBondContact O-N 3Å; E201-S204 PolarHBondContact O-OG 2.76Å
202L78.9Confident80.4Confident3 Ų329.5 Ų29.52%0.01616%0.159CC..THydrogen-bonded Turntrans-67.5-33.4-178.1-71.6171000112.9E175 M197 M200 Y208 H424E175-L202 HydrophobicContact CB-CD1 4.45Å; E175-L202 HydrophobicContact CB-CD2 4.2Å; M197-L202 HydrophobicContact CB-CB 4.21Å; M197-L202 HydrophobicContact CB-CD1 4.19Å; M197-L202 HydrophobicContact CE-CB 3.99Å; M197-L202 HydrophobicContact CE-CD1 3.9Å; M197-L202 HydrophobicContact CG-CD1 4.02Å; M197-L202 WeakPolarHBondContact O-CB 3.23Å; M197-L202 PolarHBondContact O-N 3.42Å; M200-L202 HydrophobicContact CB-CD1 4.08Å; M200-L202 HydrophobicContact CB-CG 3.98Å; M200-L202 HydrophobicContact CE-CD1 4.38Å; M200-L202 PolarHBondContact O-N 2.99Å; M200-L202 VanDerWaalsContact O-N 3.1Å; M200-L202 HydrophobicContact SD-CD1 4.33Å; L202-Y208 HydrophobicContact CB-CD2 4.09Å; L202-Y208 HydrophobicContact CB-CG 4.26Å; L202-Y208 HydrophobicContact CD2-CD1 4.34Å; L202-Y208 HydrophobicContact CD2-CD2 3.81Å; L202-Y208 HydrophobicContact CD2-CE1 4.02Å; L202-Y208 HydrophobicContact CD2-CE2 3.44Å; L202-Y208 VanDerWaalsContact CD2-CE2 3.44Å; L202-Y208 HydrophobicContact CD2-CG 4.24Å; L202-Y208 WeakPolarHBondContact O-CD2 3.47Å; L202-H424 WeakPolarHBondContact CD2-CE1 2.89Å; L202-H424 WeakPolarHBondContact CD2-NE2 3.28Å
203L75.7Confident80.9Confident1 Ų126.9 Ų26.91%0.00515%0.147CC..THydrogen-bonded Turntrans-91.6-8-172.3-64.8172.9000113.8L194 M197 E201 I210 R241 I387L194-L203 HydrophobicContact CD2-CD1 3.8Å; M197-L203 HydrophobicContact CB-CD1 3.87Å; M197-L203 HydrophobicContact CB-CG 3.98Å; M197-L203 HydrophobicContact CE-CD2 4.04Å; M197-L203 HydrophobicContact CE-CG 4.44Å; M197-L203 HydrophobicContact SD-CD2 4.42Å; E201-L203 VanDerWaalsContact C-N 3.35Å; E201-L203 PolarHBondContact O-N 3Å; L203-I210 HydrophobicContact CD1-CD1 4.45Å; L203-R241 HydrophobicContact CB-CB 4.02Å; L203-R241 HydrophobicContact CB-CG 3.85Å; L203-R241 HydrophobicContact CD1-CB 4.28Å; L203-R241 HydrophobicContact CD1-CG 4.43Å; L203-I387 WeakPolarHBondContact O-CD1 3.5Å
204S69.6Low80.9Confident67 Ų6727.6 Ų27.647%0.46915%0.15SC..THydrogen-bonded Turntrans-80.9-30.3-173.6620000113.1E201E201-S204 PolarHBondContact O-OG 2.76Å
205G71.8Confident80.6Confident41 Ų4128.3 Ų28.342%0.42316%0.155SC..SBendtrans-87.6-0.4-177.200000115.5E207G205-E207 PolarHBondContact O-N 3.37Å
206G78.3Confident80.2Confident5 Ų526.3 Ų26.35%0.05215%0.15CC..SBendtrans68.29.9-174.900000114.7P392G206-P392 VanDerWaalsContact O-CG 3.28Å; G206-P392 WeakPolarHBondContact O-CG 3.48Å
207E83.4Confident79.8Confident104 Ų10426.5 Ų26.549%0.48615%0.151SC..  trans-84.2-24-177.6-61.1-177.2143.300112.9G205G205-E207 PolarHBondContact O-N 3.37Å
208Y88.1Confident78.8Confident19 Ų1929.1 Ų29.18%0.07517%0.167CC..  trans-117.3147.7-177.9-64.6-94.3000110.9E175 A179 Y181 M197 L202 S242E175-Y208 HydrophobicContact CB-CE1 4.43Å; E175-Y208 PolarHBondContact O-OH 2.98Å; A179-Y208 HydrophobicContact CB-CD1 4.38Å; A179-Y208 WeakPolarHBondContact O-CA 3.44Å; Y181-Y208 AromaticContact CE2-CD1 3.99Å; Y181-Y208 HydrophobicContact CE2-CD1 3.99Å; M197-Y208 HydrophobicContact CE-CG 4.48Å; L202-Y208 HydrophobicContact CB-CD2 4.09Å; L202-Y208 HydrophobicContact CB-CG 4.26Å; L202-Y208 HydrophobicContact CD2-CD1 4.34Å; L202-Y208 HydrophobicContact CD2-CD2 3.81Å; L202-Y208 HydrophobicContact CD2-CE1 4.02Å; L202-Y208 HydrophobicContact CD2-CE2 3.44Å; L202-Y208 VanDerWaalsContact CD2-CE2 3.44Å; L202-Y208 HydrophobicContact CD2-CG 4.24Å; L202-Y208 WeakPolarHBondContact O-CD2 3.47Å; Y208-S242 WeakPolarHBondContact O-CB 3.4Å
209V89.7Confident78.1Confident0 Ų027.7 Ų27.70%016%0.159CC..EExtended strand (participates in β ladder)trans-139.4137.4177.962.10000111.8W113 A179 V180 Y181 S242 L244 W386 P392W113-V209 HydrophobicContact CH2-CB 4.41Å; W113-V209 HydrophobicContact CH2-CG1 3.61Å; W113-V209 HydrophobicContact CH2-CG2 4.17Å; W113-V209 HydrophobicContact CZ2-CG1 3.79Å; W113-V209 HydrophobicContact CZ3-CG1 4.27Å; A179-V209 PolarHBondContact O-N 2.96Å; V180-V209 HydrophobicContact CB-CG1 4.25Å; V180-V209 HydrophobicContact CG1-CG1 4.17Å; V180-V209 HydrophobicContact CG2-CG1 3.88Å; Y181-V209 PolarHBondContact N-O 3.12Å; V209-S242 WeakPolarHBondContact CA-O 3.48Å; V209-L244 HydrophobicContact CG2-CD1 4.35Å; V209-L244 HydrophobicContact CG2-CG 4.2Å; V209-W386 HydrophobicContact CG2-CZ3 4.13Å; V209-P392 HydrophobicContact CB-CG 4.07Å; V209-P392 HydrophobicContact CG1-CB 4.33Å; V209-P392 HydrophobicContact CG1-CG 4.27Å
210I89.3Confident77.3Confident0 Ų024.8 Ų24.80%014%0.143CC..EExtended strand (participates in β ladder)trans-102.1128.9168.7-63.7161.5000109.1Y181 M183 L190 M193 L194 M197 L203 S242 L243 L244Y181-I210 CarbonylContact O-C 3.55Å; Y181-I210 WeakPolarHBondContact O-CA 3.28Å; M183-I210 HydrophobicContact CB-CG2 4.36Å; L190-I210 HydrophobicContact CD1-CG2 3.9Å; M193-I210 HydrophobicContact CE-CG1 4.36Å; M193-I210 HydrophobicContact CG-CD1 4.31Å; L194-I210 HydrophobicContact CD2-CD1 3.65Å; L194-I210 HydrophobicContact CG-CD1 4.25Å; M197-I210 HydrophobicContact SD-CD1 3.48Å; M197-I210 WeakPolarHBondContact SD-CD1 3.4Å; M197-I210 HydrophobicContact SD-CG1 3.82Å; L203-I210 HydrophobicContact CD1-CD1 4.45Å; I210-S242 PolarHBondContact N-O 3.23Å; I210-S242 VanDerWaalsContact N-O 3.13Å; I210-L243 HydrophobicContact CB-CD1 3.84Å; I210-L243 HydrophobicContact CG2-CD1 3.78Å; I210-L244 PolarHBondContact O-N 3.03Å
211I91.6Very high76.5Confident0 Ų024.9 Ų24.90%015%0.147CC..EExtended strand (participates in β ladder)trans-105.499.2168.2-52.2174.6000107.4L107 L108 W113 V180 Y181 V182 M183 L213 L244 I246L107-I211 HydrophobicContact CD2-CD1 4.09Å; L107-I211 HydrophobicContact CD2-CG1 4.41Å; L107-I211 HydrophobicContact CD2-CG2 3.9Å; L108-I211 HydrophobicContact CD2-CD1 3.99Å; L108-I211 HydrophobicContact CG-CD1 4.42Å; W113-I211 HydrophobicContact CE3-CD1 4.05Å; W113-I211 HydrophobicContact CZ3-CD1 3.68Å; W113-I211 HydrophobicContact CZ3-CG1 4.34Å; V180-I211 HydrophobicContact CG1-CD1 3.9Å; Y181-I211 PolarHBondContact O-N 3.09Å; V182-I211 CarbonylContact C-O 3.41Å; V182-I211 WeakPolarHBondContact CA-O 3.49Å; V182-I211 HydrophobicContact CG2-CB 4.43Å; V182-I211 HydrophobicContact CG2-CD1 4.24Å; M183-I211 PolarHBondContact N-O 3.38Å; I211-L213 HydrophobicContact CG2-CD2 4.04Å; I211-L244 HydrophobicContact CG1-CD1 4.49Å; I211-I246 HydrophobicContact CG2-CD1 4.25Å; I211-I246 HydrophobicContact CG2-CG1 4.43Å
212Y87.4Confident75.3Confident2 Ų221.3 Ų21.31%0.00813%0.133CC..EExtended strand (participates in β ladder)trans-84.7127.7178.3-178.6-114.8000111.2M183 G185 V187 L190 E214 F230 L244 A245 I246M183-Y212 HydrophobicContact CB-CD2 4.36Å; M183-Y212 HydrophobicContact CG-CD2 4.32Å; M183-Y212 HydrophobicContact SD-CD2 4.47Å; G185-Y212 PolarHBondContact O-OH 3.01Å; V187-Y212 HydrophobicContact CG2-CE1 3.71Å; V187-Y212 WeakPolarHBondContact CG2-OH 3.45Å; V187-Y212 PolarHBondContact N-OH 3.33Å; L190-Y212 HydrophobicContact CB-CD2 4.05Å; L190-Y212 HydrophobicContact CB-CE2 3.98Å; L190-Y212 HydrophobicContact CD1-CD2 3.93Å; L190-Y212 HydrophobicContact CD1-CG 4.17Å; L190-Y212 HydrophobicContact CD2-CD1 3.77Å; L190-Y212 HydrophobicContact CD2-CD2 3.78Å; L190-Y212 HydrophobicContact CD2-CE1 4.12Å; L190-Y212 HydrophobicContact CD2-CE2 4.14Å; L190-Y212 HydrophobicContact CD2-CG 3.59Å; L190-Y212 HydrophobicContact CG-CD2 4.12Å; L190-Y212 HydrophobicContact CG-CE2 4.48Å; L190-Y212 HydrophobicContact CG-CG 4.35Å; Y212-E214 HydrophobicContact CD1-CB 4.24Å; Y212-E214 HydrophobicContact CE1-CB 3.66Å; Y212-E214 HydrophobicContact CE1-CG 4.35Å; Y212-E214 PolarHBondContact OH-OE2 3.09Å; Y212-F230 HydrophobicContact CD1-CZ 4.15Å; Y212-L244 PolarHBondContact N-O 3.37Å; Y212-A245 HydrophobicContact CD1-CB 4.45Å; Y212-A245 CarbonylContact O-C 3.59Å; Y212-A245 VanDerWaalsContact O-CA 3.32Å; Y212-A245 WeakPolarHBondContact O-CA 3.38Å; Y212-I246 PolarHBondContact O-N 3.44Å
213L86.7Confident74.2Confident0 Ų025.8 Ų25.80%016%0.157CC..EExtended strand (participates in β ladder)trans-107.1115.7177.9-53.4-177.5000109.2I100 A104 F137 V182 M183 F184 I211 P215 I246I100-L213 HydrophobicContact CD1-CB 4.27Å; I100-L213 HydrophobicContact CG2-CB 4.42Å; A104-L213 HydrophobicContact CB-CD1 3.92Å; A104-L213 HydrophobicContact CB-CD2 3.78Å; F137-L213 HydrophobicContact CE2-CD1 3.67Å; F137-L213 HydrophobicContact CZ-CD1 3.72Å; V182-L213 HydrophobicContact CG1-CD1 3.62Å; V182-L213 HydrophobicContact CG1-CG 4.1Å; M183-L213 PolarHBondContact O-N 3.14Å; F184-L213 HydrophobicContact CD1-CB 4.01Å; F184-L213 HydrophobicContact CD1-CD1 4.32Å; F184-L213 HydrophobicContact CD2-CD1 4.39Å; F184-L213 HydrophobicContact CE1-CB 3.96Å; F184-L213 HydrophobicContact CE1-CD1 3.73Å; F184-L213 HydrophobicContact CE2-CD1 3.83Å; F184-L213 HydrophobicContact CZ-CD1 3.48Å; F184-L213 VanDerWaalsContact CZ-CD1 3.48Å; I211-L213 HydrophobicContact CG2-CD2 4.04Å; L213-P215 WeakPolarHBondContact O-CD 3.35Å; L213-I246 HydrophobicContact CD2-CB 3.83Å; L213-I246 HydrophobicContact CD2-CD1 3.73Å; L213-I246 HydrophobicContact CD2-CG1 3.98Å
214E79.9Confident73.5Confident15 Ų1528.5 Ų28.57%0.0717%0.171CC..  trans-114.394.6178.9176.755.3-123.600109.4Y212 S216 Y219 I246 I247 P248Y212-E214 HydrophobicContact CD1-CB 4.24Å; Y212-E214 HydrophobicContact CE1-CB 3.66Å; Y212-E214 HydrophobicContact CE1-CG 4.35Å; Y212-E214 PolarHBondContact OH-OE2 3.09Å; E214-S216 VanDerWaalsContact C-N 3.27Å; E214-S216 PolarHBondContact O-N 3.47Å; E214-S216 WeakPolarHBondContact OE1-CB 3.5Å; E214-S216 PolarHBondContact OE1-N 3.25Å; E214-Y219 HydrophobicContact CG-CE2 3.68Å; E214-Y219 PolarHBondContact OE1-OH 3.33Å; E214-I246 PolarHBondContact N-O 3.1Å; E214-I246 VanDerWaalsContact N-O 3.08Å; E214-I247 HydrophobicContact CB-CG2 4.11Å; E214-P248 WeakPolarHBondContact O-CD 3.48Å
215P73.7Confident73Confident18 Ų1825.4 Ų25.412%0.11715%0.15CC..  trans-78.5-4.8-176.128.2-31.1000113.9E97 I100 L213 Y217E97-P215 HydrophobicContact CB-CB 4.45Å; E97-P215 HydrophobicContact CG-CB 3.75Å; E97-P215 HydrophobicContact CG-CG 3.87Å; E97-P215 WeakPolarHBondContact OE1-CG 3.08Å; I100-P215 HydrophobicContact CD1-CB 4.44Å; I100-P215 HydrophobicContact CG2-CB 4.38Å; L213-P215 WeakPolarHBondContact O-CD 3.35Å; P215-Y217 WeakPolarHBondContact O-CD2 3.3Å; P215-Y217 WeakPolarHBondContact O-CE2 3.29Å; P215-Y217 PolarHBondContact O-N 3.15Å
216S70.4Confident72.4Confident23 Ų2323.7 Ų23.716%0.16113%0.131CC..  trans-71.7124.5-176.9-175.80000112.5E214 T218 Y219E214-S216 VanDerWaalsContact C-N 3.27Å; E214-S216 PolarHBondContact O-N 3.47Å; E214-S216 WeakPolarHBondContact OE1-CB 3.5Å; E214-S216 PolarHBondContact OE1-N 3.25Å; S216-T218 PolarHBondContact O-N 3.04Å; S216-T218 WeakPolarHBondContact OG-CG2 3.46Å; S216-T218 PolarHBondContact OG-N 3.18Å; S216-T218 PolarHBondContact OG-OG1 3.5Å; S216-Y219 WeakPolarHBondContact CB-OH 3.42Å; S216-Y219 WeakPolarHBondContact O-CD2 3.41Å; S216-Y219 WeakPolarHBondContact O-CE2 3.36Å
217Y69.5Low71.4Confident3 Ų326 Ų261%0.01214%0.141CC..THydrogen-bonded Turntrans-84.529.3175.1-71.4-97.6000113V94 P95 P215 Y219 P248 R280 Y284 F341V94-Y217 HydrophobicContact CG1-CD2 3.85Å; V94-Y217 HydrophobicContact CG1-CE2 4.3Å; V94-Y217 HydrophobicContact CG1-CG 4.26Å; P95-Y217 HydrophobicContact CB-CE2 4.28Å; P95-Y217 VanDerWaalsContact CB-OH 3.31Å; P95-Y217 WeakPolarHBondContact CB-OH 3.22Å; P95-Y217 HydrophobicContact CG-CE1 3.91Å; P95-Y217 HydrophobicContact CG-CE2 4.39Å; P95-Y217 WeakPolarHBondContact CG-OH 3.42Å; P215-Y217 WeakPolarHBondContact O-CD2 3.3Å; P215-Y217 WeakPolarHBondContact O-CE2 3.29Å; P215-Y217 PolarHBondContact O-N 3.15Å; Y217-Y219 VanDerWaalsContact C-N 3.34Å; Y217-P248 HydrophobicContact CD1-CB 3.5Å; Y217-P248 HydrophobicContact CD1-CG 3.75Å; Y217-P248 HydrophobicContact CD2-CG 3.95Å; Y217-P248 HydrophobicContact CE1-CB 3.41Å; Y217-P248 VanDerWaalsContact CE1-CB 3.41Å; Y217-P248 HydrophobicContact CE1-CG 3.63Å; Y217-P248 HydrophobicContact CE2-CG 3.82Å; Y217-P248 HydrophobicContact CG-CB 4.12Å; Y217-P248 HydrophobicContact CG-CG 3.9Å; Y217-R280 WeakPolarHBondContact O-CB 3.43Å; Y217-R280 VanDerWaalsContact O-CD 3.31Å; Y217-R280 WeakPolarHBondContact O-CD 2.98Å; Y217-Y284 HydrophobicContact CD1-CE2 4.23Å; Y217-Y284 WeakPolarHBondContact CD1-OH 3.26Å; Y217-Y284 HydrophobicContact CG-CE2 4.39Å; Y217-F341 VanDerWaalsContact OH-CE1 3.3Å; Y217-F341 WeakPolarHBondContact OH-CE1 3.06Å; Y217-F341 WeakPolarHBondContact OH-CZ 2.8Å
218T62.7Low70Confident55 Ų5524.9 Ų24.934%0.33714%0.139SC..THydrogen-bonded Turntrans-79.9-11.6-178.839.20000114.6S216 Y281S216-T218 PolarHBondContact O-N 3.04Å; S216-T218 WeakPolarHBondContact OG-CG2 3.46Å; S216-T218 PolarHBondContact OG-N 3.18Å; S216-T218 PolarHBondContact OG-OG1 3.5Å; T218-Y281 HydrophobicContact CG2-CE2 3.55Å
219Y61.6Low68.4Low8 Ų826.9 Ų26.93%0.03115%0.147CC..  trans-93.9133.1-167.9-40.1-53.3000112.1E214 S216 Y217 A225 Y229 R280E214-Y219 HydrophobicContact CG-CE2 3.68Å; E214-Y219 PolarHBondContact OE1-OH 3.33Å; S216-Y219 WeakPolarHBondContact CB-OH 3.42Å; S216-Y219 WeakPolarHBondContact O-CD2 3.41Å; S216-Y219 WeakPolarHBondContact O-CE2 3.36Å; Y217-Y219 VanDerWaalsContact C-N 3.34Å; Y219-A225 HydrophobicContact CD1-CB 4.4Å; Y219-A225 HydrophobicContact CD2-CB 4.06Å; Y219-A225 HydrophobicContact CG-CB 3.79Å; Y219-Y229 HydrophobicContact CD1-CE2 4.33Å; Y219-Y229 HydrophobicContact CE1-CD2 4.06Å; Y219-Y229 AromaticContact CE1-CE2 3.31Å; Y219-Y229 HydrophobicContact CE1-CE2 3.31Å; Y219-Y229 HydrophobicContact CE2-CE2 4.34Å; Y219-Y229 AromaticContact CZ-CE2 3.28Å; Y219-Y229 WeakPolarHBondContact OH-CE2 3.37Å; Y219-Y229 VanDerWaalsContact OH-CZ 3.23Å; Y219-Y229 PolarHBondContact OH-OH 3.16Å; Y219-R280 WeakPolarHBondContact O-CD 2.94Å; Y219-R280 PolarHBondContact O-NH1 3.24Å
220L59.6Low66.9Low17 Ų1727.3 Ų27.39%0.08915%0.148CC..SBendtrans-85.8-56.3176.5-50.5170000109.5V251 F253 I277 V278 R280L220-V251 CarbonylContact C-O 3.44Å; L220-V251 CarbonylContact O-C 3.53Å; L220-V251 PolarHBondContact O-N 2.9Å; L220-F253 HydrophobicContact CB-CE2 4.36Å; L220-F253 HydrophobicContact CD2-CE2 3.62Å; L220-F253 HydrophobicContact CD2-CZ 4.28Å; L220-F253 HydrophobicContact CG-CE2 4.48Å; L220-I277 HydrophobicContact CD1-CG2 4.25Å; L220-V278 HydrophobicContact CD1-CB 4.14Å; L220-V278 WeakPolarHBondContact CD1-O 3.38Å; L220-V278 HydrophobicContact CD2-CB 4.1Å; L220-V278 HydrophobicContact CD2-CG1 4.39Å; L220-V278 WeakPolarHBondContact CD2-O 3.19Å; L220-V278 WeakPolarHBondContact CG-O 3.22Å; L220-R280 HydrophobicContact CD2-CB 4.08Å
221S60.7Low65.2Low30 Ų3028.1 Ų28.121%0.2115%0.152CC..SBendtrans-115.4162.9-178.371.30000111.7D223 D224 A225S221-D223 PolarHBondContact O-N 2.84Å; S221-D223 PolarHBondContact OG-N 3.06Å; S221-D224 PolarHBondContact O-N 2.82Å; S221-D224 VanDerWaalsContact O-N 3.16Å; S221-D224 PolarHBondContact OG-N 2.57Å; S221-A225 PolarHBondContact O-N 3.35Å; S221-A225 VanDerWaalsContact O-N 3.09Å
222P52.2Low63.3Low36 Ų3637.4 Ų37.423%0.23419%0.187CC..Hα-helixtrans-58.7-37.9170.7-10.521.7000110.5D224 A225 M226 P250 P362P222-D224 VanDerWaalsContact C-N 3.33Å; P222-D224 PolarHBondContact O-N 3.44Å; P222-A225 PolarHBondContact O-N 3.4Å; P222-M226 VanDerWaalsContact O-CB 3.31Å; P222-M226 WeakPolarHBondContact O-CB 3.43Å; P222-M226 WeakPolarHBondContact O-CG 3.28Å; P222-M226 PolarHBondContact O-N 3.2Å; P222-P250 HydrophobicContact CB-CB 4.36Å; P222-P250 HydrophobicContact CB-CG 3.95Å; P222-P250 HydrophobicContact CG-CB 3.64Å; P222-P250 HydrophobicContact CG-CG 3.67Å; P222-P362 HydrophobicContact CB-CG 3.55Å; P222-P362 HydrophobicContact CG-CG 3.99Å
223D57.2Low61.4Low98 Ų9839.5 Ų39.552%0.52421%0.205SC..Hα-helixtrans-62.5-37.4176.4-63.6-37.4000112S221 M226 M227S221-D223 PolarHBondContact O-N 2.84Å; S221-D223 PolarHBondContact OG-N 3.06Å; D223-M226 PolarHBondContact O-N 3.36Å; D223-M227 WeakPolarHBondContact O-CA 3.48Å; D223-M227 WeakPolarHBondContact O-CB 3.39Å; D223-M227 WeakPolarHBondContact O-CG 3.47Å; D223-M227 PolarHBondContact O-N 3.01Å
224D60.9Low59.6Low57 Ų5739.7 Ų39.731%0.30521%0.206SC..Hα-helixtrans-68.5-40174.8-81.1-23.5000112.3S221 P222 N228S221-D224 PolarHBondContact O-N 2.82Å; S221-D224 VanDerWaalsContact O-N 3.16Å; S221-D224 PolarHBondContact OG-N 2.57Å; P222-D224 VanDerWaalsContact C-N 3.33Å; P222-D224 PolarHBondContact O-N 3.44Å; D224-N228 WeakPolarHBondContact O-CB 3.19Å; D224-N228 PolarHBondContact O-N 3.08Å; D224-N228 PolarHBondContact O-ND2 3.37Å
225A57.8Low58Low3 Ų339.6 Ų39.63%0.02521%0.206CC..Hα-helixtrans-63.2-45.6173.700000110.3Y219 S221 P222 Y229 I247Y219-A225 HydrophobicContact CD1-CB 4.4Å; Y219-A225 HydrophobicContact CD2-CB 4.06Å; Y219-A225 HydrophobicContact CG-CB 3.79Å; S221-A225 PolarHBondContact O-N 3.35Å; S221-A225 VanDerWaalsContact O-N 3.09Å; P222-A225 PolarHBondContact O-N 3.4Å; A225-Y229 WeakPolarHBondContact O-CB 3.2Å; A225-Y229 PolarHBondContact O-N 3.32Å; A225-I247 HydrophobicContact CB-CD1 3.81Å
226M59.5Low56.9Low5 Ų548.7 Ų48.73%0.02524%0.239CC..Hα-helixtrans-67.2-42177.5-69.3-162.780.500113P222 D223 F230 Y231 L344 L360P222-M226 VanDerWaalsContact O-CB 3.31Å; P222-M226 WeakPolarHBondContact O-CB 3.43Å; P222-M226 WeakPolarHBondContact O-CG 3.28Å; P222-M226 PolarHBondContact O-N 3.2Å; D223-M226 PolarHBondContact O-N 3.36Å; M226-F230 CarbonylContact O-C 3.58Å; M226-F230 VanDerWaalsContact O-CA 3.24Å; M226-F230 WeakPolarHBondContact O-CA 3.43Å; M226-F230 WeakPolarHBondContact O-CB 3.5Å; M226-F230 PolarHBondContact O-N 3.46Å; M226-Y231 HydrophobicContact CB-CD2 3.61Å; M226-Y231 HydrophobicContact CB-CE2 3.36Å; M226-Y231 HydrophobicContact CE-CD2 4.44Å; M226-Y231 HydrophobicContact CE-CE1 4.17Å; M226-Y231 HydrophobicContact CE-CE2 3.49Å; M226-Y231 VanDerWaalsContact CE-CE2 3.49Å; M226-Y231 WeakPolarHBondContact CE-OH 3.01Å; M226-Y231 HydrophobicContact CG-CE2 4.16Å; M226-Y231 WeakPolarHBondContact O-CD2 3.43Å; M226-Y231 PolarHBondContact O-N 3.36Å; M226-Y231 HydrophobicContact SD-CE2 3.68Å; M226-Y231 PolarHBondContact SD-OH 3.1Å; M226-L344 HydrophobicContact CG-CD2 4.15Å; M226-L360 HydrophobicContact CE-CB 3.97Å; M226-L360 WeakPolarHBondContact CE-O 3.48Å
227M57.6Low55.9Low53 Ų5350 Ų5026%0.26125%0.247SC..Iπ-helixtrans-70.3-43.9-176.9-74-83.1-162.300112.2D223 Y229 Y231 R232 F354D223-M227 WeakPolarHBondContact O-CA 3.48Å; D223-M227 WeakPolarHBondContact O-CB 3.39Å; D223-M227 WeakPolarHBondContact O-CG 3.47Å; D223-M227 PolarHBondContact O-N 3.01Å; M227-Y229 VanDerWaalsContact C-N 3.28Å; M227-Y229 PolarHBondContact O-N 3.15Å; M227-Y231 HydrophobicContact CG-CD2 4.14Å; M227-Y231 HydrophobicContact SD-CD2 4.08Å; M227-Y231 HydrophobicContact SD-CG 4.48Å; M227-R232 WeakPolarHBondContact O-CB 3.22Å; M227-R232 WeakPolarHBondContact O-CG 3.06Å; M227-R232 PolarHBondContact O-N 3.44Å; M227-F354 HydrophobicContact CE-CE2 3.26Å; M227-F354 HydrophobicContact CE-CZ 3.28Å; M227-F354 HydrophobicContact SD-CE1 4.22Å; M227-F354 HydrophobicContact SD-CE2 3.53Å; M227-F354 VanDerWaalsContact SD-CE2 3.53Å; M227-F354 HydrophobicContact SD-CZ 3.23Å; M227-F354 WeakPolarHBondContact SD-CZ 3.41Å
228N53.4Low55.1Low81 Ų8150.6 Ų50.643%0.43325%0.25SS..Iπ-helixtrans-73.6-23.4-177.6-72.9-56.2000112.9D224D224-N228 WeakPolarHBondContact O-CB 3.19Å; D224-N228 PolarHBondContact O-N 3.08Å; D224-N228 PolarHBondContact O-ND2 3.37Å
229Y55.6Low54.8Low60 Ų6051 Ų5124%0.23525%0.248CC..Iπ-helixtrans-119.7-40.6-174.1-72.2-62000115.5V187 Y219 A225 M227 T234V187-Y229 HydrophobicContact CB-CD1 3.18Å; V187-Y229 HydrophobicContact CB-CE1 3.59Å; V187-Y229 HydrophobicContact CB-CG 4.14Å; V187-Y229 HydrophobicContact CG1-CD1 3.64Å; V187-Y229 HydrophobicContact CG1-CE1 4.48Å; V187-Y229 HydrophobicContact CG1-CG 4.35Å; V187-Y229 HydrophobicContact CG2-CD1 2.93Å; V187-Y229 HydrophobicContact CG2-CE1 3.34Å; V187-Y229 HydrophobicContact CG2-CG 3.53Å; Y219-Y229 HydrophobicContact CD1-CE2 4.33Å; Y219-Y229 HydrophobicContact CE1-CD2 4.06Å; Y219-Y229 AromaticContact CE1-CE2 3.31Å; Y219-Y229 HydrophobicContact CE1-CE2 3.31Å; Y219-Y229 HydrophobicContact CE2-CE2 4.34Å; Y219-Y229 AromaticContact CZ-CE2 3.28Å; Y219-Y229 WeakPolarHBondContact OH-CE2 3.37Å; Y219-Y229 VanDerWaalsContact OH-CZ 3.23Å; Y219-Y229 PolarHBondContact OH-OH 3.16Å; A225-Y229 WeakPolarHBondContact O-CB 3.2Å; A225-Y229 PolarHBondContact O-N 3.32Å; M227-Y229 VanDerWaalsContact C-N 3.28Å; M227-Y229 PolarHBondContact O-N 3.15Å; Y229-T234 PolarHBondContact O-OG1 3.04Å
230F57.2Low54.4Low9 Ų955.3 Ų55.34%0.03927%0.272CS..Iπ-helixtrans-98.7-46.4-172.7-61.4-67.4000112.2L190 Y212 M226 T234 L235 L243 A245 L360L190-F230 HydrophobicContact CD2-CE1 3.88Å; L190-F230 HydrophobicContact CD2-CZ 4.46Å; Y212-F230 HydrophobicContact CD1-CZ 4.15Å; M226-F230 CarbonylContact O-C 3.58Å; M226-F230 VanDerWaalsContact O-CA 3.24Å; M226-F230 WeakPolarHBondContact O-CA 3.43Å; M226-F230 WeakPolarHBondContact O-CB 3.5Å; M226-F230 PolarHBondContact O-N 3.46Å; F230-T234 VanDerWaalsContact C-OG1 3.26Å; F230-T234 WeakPolarHBondContact CA-OG1 3Å; F230-T234 PolarHBondContact O-N 3.23Å; F230-T234 PolarHBondContact O-OG1 2.65Å; F230-L235 VanDerWaalsContact C-CD1 3.5Å; F230-L235 HydrophobicContact CB-CD1 3.9Å; F230-L235 VanDerWaalsContact O-CB 3.32Å; F230-L235 WeakPolarHBondContact O-CB 3.5Å; F230-L235 WeakPolarHBondContact O-CD1 3.31Å; F230-L235 WeakPolarHBondContact O-CG 3.19Å; F230-L235 PolarHBondContact O-N 3.02Å; F230-L243 HydrophobicContact CE1-CD2 4.08Å; F230-A245 HydrophobicContact CE2-CB 4.35Å; F230-A245 HydrophobicContact CZ-CB 3.9Å; F230-L360 HydrophobicContact CD1-CD1 3.79Å; F230-L360 HydrophobicContact CD2-CD1 4.25Å; F230-L360 HydrophobicContact CE1-CD1 3.68Å; F230-L360 HydrophobicContact CE2-CD1 4.16Å; F230-L360 HydrophobicContact CG-CD1 4.09Å; F230-L360 HydrophobicContact CZ-CD1 3.88Å
231Y55.1Low54.9Low18 Ų1856.1 Ų56.17%0.07127%0.274CS..Iπ-helixtrans-84.5-41.1-175.9-62.4-63.8000114.6M226 M227 A233 L235 M349 F354 L356M226-Y231 HydrophobicContact CB-CD2 3.61Å; M226-Y231 HydrophobicContact CB-CE2 3.36Å; M226-Y231 HydrophobicContact CE-CD2 4.44Å; M226-Y231 HydrophobicContact CE-CE1 4.17Å; M226-Y231 HydrophobicContact CE-CE2 3.49Å; M226-Y231 VanDerWaalsContact CE-CE2 3.49Å; M226-Y231 WeakPolarHBondContact CE-OH 3.01Å; M226-Y231 HydrophobicContact CG-CE2 4.16Å; M226-Y231 WeakPolarHBondContact O-CD2 3.43Å; M226-Y231 PolarHBondContact O-N 3.36Å; M226-Y231 HydrophobicContact SD-CE2 3.68Å; M226-Y231 PolarHBondContact SD-OH 3.1Å; M227-Y231 HydrophobicContact CG-CD2 4.14Å; M227-Y231 HydrophobicContact SD-CD2 4.08Å; M227-Y231 HydrophobicContact SD-CG 4.48Å; Y231-A233 VanDerWaalsContact C-N 3.3Å; Y231-A233 PolarHBondContact O-N 2.93Å; Y231-L235 HydrophobicContact CD1-CD1 3.21Å; Y231-L235 HydrophobicContact CD1-CG 4.45Å; Y231-L235 HydrophobicContact CE1-CD1 3.41Å; Y231-L235 VanDerWaalsContact CE1-CD1 3.41Å; Y231-L235 HydrophobicContact CG-CD1 3.98Å; Y231-M349 HydrophobicContact CE1-SD 4.41Å; Y231-M349 WeakPolarHBondContact OH-CE 3.28Å; Y231-M349 PolarHBondContact OH-SD 3.47Å; Y231-F354 HydrophobicContact CD1-CD2 4.12Å; Y231-F354 HydrophobicContact CD1-CG 4.47Å; Y231-F354 HydrophobicContact CE1-CD2 4.49Å; Y231-F354 HydrophobicContact CG-CD2 4.26Å; Y231-F354 HydrophobicContact CG-CE2 4.42Å; Y231-L356 HydrophobicContact CD1-CD1 3.47Å; Y231-L356 VanDerWaalsContact CD1-CD1 3.47Å; Y231-L356 HydrophobicContact CE1-CD1 3.55Å
232R51.6Low55.7Low194 Ų19455 Ų5573%0.73227%0.266SS*.THydrogen-bonded Turntrans-73.5-17.3-175.5-82.3-178.9169.5178.5-0.9114.7M227M227-R232 WeakPolarHBondContact O-CB 3.22Å; M227-R232 WeakPolarHBondContact O-CG 3.06Å; M227-R232 PolarHBondContact O-N 3.44Å
233A46.9Very low57.2Low47 Ų4753.7 Ų53.739%0.38826%0.257SS..THydrogen-bonded Turntrans-144.2-17.9-169.800000116.6Q191 Y231Q191-A233 PolarHBondContact NE2-O 3.31Å; Y231-A233 VanDerWaalsContact C-N 3.3Å; Y231-A233 PolarHBondContact O-N 2.93Å
234T49.1Very low58.8Low3 Ų349 Ų492%0.01823%0.232CC..THydrogen-bonded Turntrans-114.1-31.9-175.826.10000115Q191 L194 Y229 F230 Y236 T237 V238Q191-T234 HydrophobicContact CB-CG2 3.78Å; Q191-T234 HydrophobicContact CG-CG2 3.47Å; Q191-T234 VanDerWaalsContact CG-CG2 3.47Å; L194-T234 HydrophobicContact CD1-CG2 4.24Å; Y229-T234 PolarHBondContact O-OG1 3.04Å; F230-T234 VanDerWaalsContact C-OG1 3.26Å; F230-T234 WeakPolarHBondContact CA-OG1 3Å; F230-T234 PolarHBondContact O-N 3.23Å; F230-T234 PolarHBondContact O-OG1 2.65Å; T234-Y236 PolarHBondContact O-N 3.02Å; T234-T237 PolarHBondContact O-OG1 2.76Å; T234-V238 WeakPolarHBondContact O-CG2 3.32Å
235L46.4Very low60.1Low14 Ų1446.3 Ų46.37%0.07322%0.218CC..G310 helixtrans-80.1-4.5-159.5-88.4163.9000117.1F230 Y231 T237 V238 L356F230-L235 VanDerWaalsContact C-CD1 3.5Å; F230-L235 HydrophobicContact CB-CD1 3.9Å; F230-L235 VanDerWaalsContact O-CB 3.32Å; F230-L235 WeakPolarHBondContact O-CB 3.5Å; F230-L235 WeakPolarHBondContact O-CD1 3.31Å; F230-L235 WeakPolarHBondContact O-CG 3.19Å; F230-L235 PolarHBondContact O-N 3.02Å; Y231-L235 HydrophobicContact CD1-CD1 3.21Å; Y231-L235 HydrophobicContact CD1-CG 4.45Å; Y231-L235 HydrophobicContact CE1-CD1 3.41Å; Y231-L235 VanDerWaalsContact CE1-CD1 3.41Å; Y231-L235 HydrophobicContact CG-CD1 3.98Å; L235-T237 PolarHBondContact O-N 3.21Å; L235-V238 HydrophobicContact CD2-CB 4.24Å; L235-L356 HydrophobicContact CB-CD1 3.79Å; L235-L356 HydrophobicContact CB-CD2 4.21Å; L235-L356 HydrophobicContact CD1-CD1 3.98Å; L235-L356 HydrophobicContact CG-CD1 4.34Å; L235-L356 WeakPolarHBondContact O-CD2 3.25Å
236Y49.8Very low61.5Low208 Ų20846.2 Ų46.282%0.81622%0.216SC*.G310 helixtrans-64.4-11.8172.4-76.2-68.2000113.6T234T234-Y236 PolarHBondContact O-N 3.02Å
237T49.9Very low62.7Low52 Ų5246.1 Ų46.132%0.31922%0.216SC..G310 helixtrans-126.3-0.9-176.854.40000114.7Y195 T234 L235 R241Y195-T237 HydrophobicContact CE1-CG2 3.95Å; Y195-T237 WeakPolarHBondContact CE1-OG1 2.72Å; T234-T237 PolarHBondContact O-OG1 2.76Å; L235-T237 PolarHBondContact O-N 3.21Å; T237-R241 PolarHBondContact O-NH1 3.09Å; T237-R241 VanDerWaalsContact O-NH1 3.12Å; T237-R241 PolarHBondContact O-NH2 2.86Å
238V53.2Low63.9Low14 Ų1443.7 Ų43.79%0.08520%0.204CC..  trans-118.116.9-163.8-163.40000113.5T234 L235 D240 R241T234-V238 WeakPolarHBondContact O-CG2 3.32Å; L235-V238 HydrophobicContact CD2-CB 4.24Å; V238-D240 PolarHBondContact O-N 3.11Å; V238-R241 HydrophobicContact CG1-CB 3.81Å; V238-R241 HydrophobicContact CG1-CG 4.3Å
239E56.3Low65.3Low63 Ų6340.5 Ų40.529%0.29419%0.188SC..THydrogen-bonded Turntrans-56.1-27-178.5-67.5-168.6115.800113.6R346 L356 S357 Y358E239-R346 PolarHBondContact O-NE 3.27Å; E239-L356 HydrophobicContact CG-CD2 3.89Å; E239-L356 VanDerWaalsContact OE1-CA 3.24Å; E239-L356 WeakPolarHBondContact OE1-CA 3.11Å; E239-S357 VanDerWaalsContact CD-OG 3.31Å; E239-S357 PolarHBondContact OE1-N 3.28Å; E239-S357 PolarHBondContact OE1-OG 3.1Å; E239-Y358 WeakPolarHBondContact O-CB 3.34Å
240D53.5Low66.1Low100 Ų10039.2 Ų39.254%0.53519%0.187SC..THydrogen-bonded Turntrans-117.738.5-172.5-67.2-36.4000115.4V238 R346 I387V238-D240 PolarHBondContact O-N 3.11Å; D240-R346 IonicContact OD1-NH2 3.53Å; D240-I387 WeakPolarHBondContact O-CD1 3.42Å
241R68.2Low66.9Low34 Ų3439 Ų3913%0.12819%0.187CC..  trans-130.7141.7-170.1-58.8-174.8-169.1155.312.2116.2D198 L203 T237 V238 L243D198-R241 VanDerWaalsContact CB-CZ 3.43Å; D198-R241 IonicContact OD1-CZ 3.88Å; D198-R241 IonicContact OD1-NE 2.67Å; D198-R241 PolarHBondContact OD1-NE 3.34Å; D198-R241 IonicContact OD1-NH1 3.48Å; D198-R241 PolarHBondContact OD1-NH1 3.34Å; D198-R241 IonicContact OD1-NH2 3.88Å; D198-R241 PolarHBondContact OD1-NH2 3.18Å; D198-R241 IonicContact OD2-CZ 3.66Å; D198-R241 IonicContact OD2-NH1 2.83Å; D198-R241 PolarHBondContact OD2-NH1 2.86Å; D198-R241 IonicContact OD2-NH2 3.41Å; D198-R241 PolarHBondContact OD2-NH2 2.88Å; L203-R241 HydrophobicContact CB-CB 4.02Å; L203-R241 HydrophobicContact CB-CG 3.85Å; L203-R241 HydrophobicContact CD1-CB 4.28Å; L203-R241 HydrophobicContact CD1-CG 4.43Å; T237-R241 PolarHBondContact O-NH1 3.09Å; T237-R241 VanDerWaalsContact O-NH1 3.12Å; T237-R241 PolarHBondContact O-NH2 2.86Å; V238-R241 HydrophobicContact CG1-CB 3.81Å; V238-R241 HydrophobicContact CG1-CG 4.3Å; R241-L243 VanDerWaalsContact C-N 3.31Å; R241-L243 PolarHBondContact O-N 3.01Å
242S78.3Confident67.4Low7 Ų743.6 Ų43.65%0.04922%0.217CC..  trans-70.676.4177.6-70.30000112.3Y208 V209 I210 I387Y208-S242 WeakPolarHBondContact O-CB 3.4Å; V209-S242 WeakPolarHBondContact CA-O 3.48Å; I210-S242 PolarHBondContact N-O 3.23Å; I210-S242 VanDerWaalsContact N-O 3.13Å; S242-I387 WeakPolarHBondContact OG-CD1 3.22Å
243L84.6Confident68Low7 Ų736.8 Ų36.84%0.03719%0.193CC..EExtended strand (participates in β ladder)trans-116.9131.9173.9176.763.8000109.9L190 L194 I210 F230 R241 L360L190-L243 HydrophobicContact CD1-CD1 4.16Å; L194-L243 HydrophobicContact CD1-CD2 3.99Å; L194-L243 HydrophobicContact CD2-CD2 4.34Å; I210-L243 HydrophobicContact CB-CD1 3.84Å; I210-L243 HydrophobicContact CG2-CD1 3.78Å; F230-L243 HydrophobicContact CE1-CD2 4.08Å; R241-L243 VanDerWaalsContact C-N 3.31Å; R241-L243 PolarHBondContact O-N 3.01Å; L243-L360 HydrophobicContact CD2-CD1 3.85Å; L243-L360 HydrophobicContact CG-CD1 4.12Å; L243-L360 VanDerWaalsContact O-CD2 3.26Å; L243-L360 WeakPolarHBondContact O-CD2 3.28Å
244L89.5Confident68.4Low1 Ų140.1 Ų40.11%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-115.6144.5168-59.6-177.5000108.6L107 W113 V209 I210 I211 Y212 L343 T345 V384 W386L107-L244 HydrophobicContact CD2-CD1 3.97Å; W113-L244 HydrophobicContact CH2-CD1 4.34Å; W113-L244 HydrophobicContact CZ3-CD1 4.44Å; V209-L244 HydrophobicContact CG2-CD1 4.35Å; V209-L244 HydrophobicContact CG2-CG 4.2Å; I210-L244 PolarHBondContact O-N 3.03Å; I211-L244 HydrophobicContact CG1-CD1 4.49Å; Y212-L244 PolarHBondContact N-O 3.37Å; L244-L343 HydrophobicContact CB-CD1 4.24Å; L244-T345 HydrophobicContact CD2-CG2 4.03Å; L244-V384 HydrophobicContact CD2-CG1 3.97Å; L244-V384 HydrophobicContact CD2-CG2 4.12Å; L244-W386 HydrophobicContact CD1-CH2 4.03Å
245A87.7Confident68.7Low0 Ų044.8 Ų44.80%024%0.238CC..EExtended strand (participates in β ladder)trans-129.613217300000110.5Y212 F230 L344 L360Y212-A245 HydrophobicContact CD1-CB 4.45Å; Y212-A245 CarbonylContact O-C 3.59Å; Y212-A245 VanDerWaalsContact O-CA 3.32Å; Y212-A245 WeakPolarHBondContact O-CA 3.38Å; F230-A245 HydrophobicContact CE2-CB 4.35Å; F230-A245 HydrophobicContact CZ-CB 3.9Å; A245-L344 HydrophobicContact CB-CB 4.34Å; A245-L344 PolarHBondContact N-O 3.32Å; A245-L344 VanDerWaalsContact N-O 3.1Å; A245-L344 PolarHBondContact O-N 2.99Å; A245-L360 HydrophobicContact CB-CD1 4.22Å
246I89.1Confident69.4Low0 Ų048 Ų480%026%0.261CS..EExtended strand (participates in β ladder)trans-104.1124.1170.2-55.6-178.6000107.2I100 A103 A104 L107 I211 Y212 L213 E214 F341 T342 L343 F366I100-I246 HydrophobicContact CD1-CB 4.49Å; I100-I246 HydrophobicContact CD1-CG2 4.15Å; I100-I246 HydrophobicContact CG1-CB 4.42Å; I100-I246 HydrophobicContact CG1-CG2 3.79Å; A103-I246 HydrophobicContact CB-CD1 4.4Å; A103-I246 HydrophobicContact CB-CG2 4.06Å; A104-I246 HydrophobicContact CB-CD1 4.06Å; L107-I246 HydrophobicContact CB-CD1 4.48Å; L107-I246 HydrophobicContact CD2-CD1 4.01Å; L107-I246 HydrophobicContact CD2-CG1 4.45Å; I211-I246 HydrophobicContact CG2-CD1 4.25Å; I211-I246 HydrophobicContact CG2-CG1 4.43Å; Y212-I246 PolarHBondContact O-N 3.44Å; L213-I246 HydrophobicContact CD2-CB 3.83Å; L213-I246 HydrophobicContact CD2-CD1 3.73Å; L213-I246 HydrophobicContact CD2-CG1 3.98Å; E214-I246 PolarHBondContact N-O 3.1Å; E214-I246 VanDerWaalsContact N-O 3.08Å; I246-F341 HydrophobicContact CG2-CB 3.97Å; I246-F341 HydrophobicContact CG2-CD1 4.41Å; I246-F341 HydrophobicContact CG2-CG 4.4Å; I246-T342 WeakPolarHBondContact CA-O 3.33Å; I246-L343 HydrophobicContact CG1-CD1 4Å; I246-F366 HydrophobicContact CD1-CE2 4.1Å; I246-F366 HydrophobicContact CD1-CZ 3.8Å; I246-F366 HydrophobicContact CG1-CE2 4.16Å; I246-F366 HydrophobicContact CG1-CZ 4.28Å; I246-F366 HydrophobicContact CG2-CD2 4.43Å; I246-F366 HydrophobicContact CG2-CE2 3.9Å
247I83.6Confident69.9Low4 Ų440.2 Ų40.22%0.02124%0.235CC..EExtended strand (participates in β ladder)trans-131.2157.7178.574.8176000110.2E214 A225 S249 P250 F341 T342 L344E214-I247 HydrophobicContact CB-CG2 4.11Å; A225-I247 HydrophobicContact CB-CD1 3.81Å; I247-S249 PolarHBondContact O-N 3Å; I247-P250 HydrophobicContact CD1-CG 4.01Å; I247-F341 CarbonylContact O-C 3.45Å; I247-F341 WeakPolarHBondContact O-CA 3.3Å; I247-T342 PolarHBondContact N-O 3.16Å; I247-T342 PolarHBondContact O-N 3.36Å; I247-L344 HydrophobicContact CB-CD1 4.16Å; I247-L344 HydrophobicContact CD1-CD1 3.45Å; I247-L344 VanDerWaalsContact CD1-CD1 3.45Å; I247-L344 HydrophobicContact CD1-CD2 4.29Å; I247-L344 HydrophobicContact CD1-CG 4.47Å; I247-L344 HydrophobicContact CG1-CD1 3.42Å; I247-L344 VanDerWaalsContact CG1-CD1 3.42Å; I247-L344 HydrophobicContact CG2-CD1 3.76Å
248P82.5Confident70.5Confident1 Ų139.1 Ų39.11%0.00623%0.226CC..EExtended strand (participates in β ladder)trans-50.6129.2162.4-3338.2000112.3E214 Y217 P250 F341E214-P248 WeakPolarHBondContact O-CD 3.48Å; Y217-P248 HydrophobicContact CD1-CB 3.5Å; Y217-P248 HydrophobicContact CD1-CG 3.75Å; Y217-P248 HydrophobicContact CD2-CG 3.95Å; Y217-P248 HydrophobicContact CE1-CB 3.41Å; Y217-P248 VanDerWaalsContact CE1-CB 3.41Å; Y217-P248 HydrophobicContact CE1-CG 3.63Å; Y217-P248 HydrophobicContact CE2-CG 3.82Å; Y217-P248 HydrophobicContact CG-CB 4.12Å; Y217-P248 HydrophobicContact CG-CG 3.9Å; P248-P250 WeakPolarHBondContact O-CD 3.26Å; P248-F341 HydrophobicContact CG-CE1 4.49Å
249S83Confident70.8Confident15 Ų1545.1 Ų45.111%0.10525%0.25CS..PPolyproline II helixtrans-51.2124.2-178.5-69.30000110.8I247 R280 N340 F341 T342I247-S249 PolarHBondContact O-N 3Å; S249-R280 PolarHBondContact O-NH1 2.96Å; S249-R280 VanDerWaalsContact O-NH1 3.15Å; S249-R280 PolarHBondContact O-NH2 3.01Å; S249-N340 PolarHBondContact N-O 2.9Å; S249-N340 VanDerWaalsContact OG-C 3.32Å; S249-N340 PolarHBondContact OG-O 3.31Å; S249-F341 PolarHBondContact OG-N 3.39Å; S249-F341 PolarHBondContact OG-O 3.33Å; S249-T342 WeakPolarHBondContact CA-OG1 3.35Å; S249-T342 WeakPolarHBondContact CB-OG1 3.26Å; S249-T342 PolarHBondContact OG-OG1 3.02Å
250P73.8Confident71.2Confident33 Ų3344.9 Ų44.921%0.21425%0.251CS..PPolyproline II helixtrans-62.6153.6178.8-2838.4000112.7P222 I247 P248P222-P250 HydrophobicContact CB-CB 4.36Å; P222-P250 HydrophobicContact CB-CG 3.95Å; P222-P250 HydrophobicContact CG-CB 3.64Å; P222-P250 HydrophobicContact CG-CG 3.67Å; I247-P250 HydrophobicContact CD1-CG 4.01Å; P248-P250 WeakPolarHBondContact O-CD 3.26Å
251V72.7Confident71.6Confident5 Ų541.8 Ų41.83%0.0324%0.236CC..  trans-125.1126.6-170.1-520000110.7L220 F253 Q325 F327L220-V251 CarbonylContact C-O 3.44Å; L220-V251 CarbonylContact O-C 3.53Å; L220-V251 PolarHBondContact O-N 2.9Å; V251-F253 HydrophobicContact CG2-CD2 4.49Å; V251-F253 HydrophobicContact CG2-CE1 4.22Å; V251-F253 HydrophobicContact CG2-CE2 3.65Å; V251-F253 HydrophobicContact CG2-CZ 3.52Å; V251-Q325 HydrophobicContact CB-CB 4.39Å; V251-Q325 HydrophobicContact CG1-CB 4.28Å; V251-F327 HydrophobicContact CB-CE1 4.12Å; V251-F327 HydrophobicContact CG1-CE1 3.42Å; V251-F327 VanDerWaalsContact CG1-CE1 3.42Å; V251-F327 HydrophobicContact CG1-CZ 3.81Å
252T65Low70.9Confident113 Ų11343 Ų4369%0.69325%0.25SC*.  trans-101.3113.8175.549.20000109.8S254T252-S254 PolarHBondContact O-N 3.11Å; T252-S254 VanDerWaalsContact O-N 3.11Å
253F66.1Low70.1Confident52 Ų5252.3 Ų52.323%0.22828%0.284CS..  trans-80.491.3174-57.7-70.7000109.5L220 V251 D255 W258 V278 Q325L220-F253 HydrophobicContact CB-CE2 4.36Å; L220-F253 HydrophobicContact CD2-CE2 3.62Å; L220-F253 HydrophobicContact CD2-CZ 4.28Å; L220-F253 HydrophobicContact CG-CE2 4.48Å; V251-F253 HydrophobicContact CG2-CD2 4.49Å; V251-F253 HydrophobicContact CG2-CE1 4.22Å; V251-F253 HydrophobicContact CG2-CE2 3.65Å; V251-F253 HydrophobicContact CG2-CZ 3.52Å; F253-D255 VanDerWaalsContact C-N 3.32Å; F253-W258 HydrophobicContact CB-CG 4.42Å; F253-W258 AromaticContact CD1-CD1 3.73Å; F253-W258 HydrophobicContact CD1-CD2 4.44Å; F253-W258 AromaticContact CD1-CE2 3.48Å; F253-W258 VanDerWaalsContact CD1-CE2 3.48Å; F253-W258 AromaticContact CD1-CZ2 3.85Å; F253-W258 HydrophobicContact CD1-CZ2 3.85Å; F253-W258 AromaticContact CD1-NE1 2.99Å; F253-W258 AromaticContact CE1-CE2 3.64Å; F253-W258 HydrophobicContact CE1-CH2 4.49Å; F253-W258 AromaticContact CE1-CZ2 3.47Å; F253-W258 HydrophobicContact CE1-CZ2 3.47Å; F253-W258 VanDerWaalsContact CE1-CZ2 3.47Å; F253-W258 AromaticContact CE1-NE1 3.6Å; F253-W258 AromaticContact CG-CD1 3.95Å; F253-W258 AromaticContact CG-NE1 3.66Å; F253-W258 HydrophobicContact CZ-CZ2 4.14Å; F253-V278 HydrophobicContact CD2-CB 4.05Å; F253-V278 HydrophobicContact CD2-CG1 4.04Å; F253-V278 HydrophobicContact CD2-CG2 4.23Å; F253-V278 HydrophobicContact CE1-CG1 4.4Å; F253-V278 HydrophobicContact CE2-CB 3.94Å; F253-V278 HydrophobicContact CE2-CG1 3.68Å; F253-V278 HydrophobicContact CZ-CG1 3.85Å; F253-Q325 HydrophobicContact CE1-CG 4.49Å
254S54.5Low68.9Low117 Ų11755.3 Ų55.382%0.81830%0.297SS*.  trans-83.3-4.6-177.556.30000114.2T252T252-S254 PolarHBondContact O-N 3.11Å; T252-S254 VanDerWaalsContact O-N 3.11Å
255D55.8Low67.1Low100 Ų10057.7 Ų57.754%0.53532%0.322SS..SBendtrans-117.5146.3-157.8-150.1-9.1000114.8F253 T257 W258F253-D255 VanDerWaalsContact C-N 3.32Å; D255-T257 WeakPolarHBondContact CB-OG1 3.33Å; D255-T257 PolarHBondContact O-N 3.45Å; D255-T257 VanDerWaalsContact O-N 3.12Å; D255-W258 PolarHBondContact O-N 3.14Å
256S59.6Low65.1Low81 Ų8167 Ų6757%0.56636%0.362SS*.THydrogen-bonded Turntrans-58-22.5-178.359.90000114W258 K259S256-W258 PolarHBondContact O-N 2.89Å; S256-W258 VanDerWaalsContact O-N 3.16Å; S256-K259 WeakPolarHBondContact O-CB 3.46Å; S256-K259 PolarHBondContact O-N 2.83Å
257T61.3Low62.8Low45 Ų4575.5 Ų75.528%0.27640%0.396SS..Hα-helixtrans-50.8-35.1176.79.90000113.2D255 D260 T261D255-T257 WeakPolarHBondContact CB-OG1 3.33Å; D255-T257 PolarHBondContact O-N 3.45Å; D255-T257 VanDerWaalsContact O-N 3.12Å; T257-D260 PolarHBondContact O-N 2.91Å; T257-T261 PolarHBondContact O-N 2.69Å
258W61.8Low60.5Low29 Ų2980.7 Ų80.711%0.1143%0.43CS..Hα-helixtrans-73.8-30.9177.4-75.697000113.6F253 D255 S256 D260 T261 S262 V278 A282 S283 M324F253-W258 HydrophobicContact CB-CG 4.42Å; F253-W258 AromaticContact CD1-CD1 3.73Å; F253-W258 HydrophobicContact CD1-CD2 4.44Å; F253-W258 AromaticContact CD1-CE2 3.48Å; F253-W258 VanDerWaalsContact CD1-CE2 3.48Å; F253-W258 AromaticContact CD1-CZ2 3.85Å; F253-W258 HydrophobicContact CD1-CZ2 3.85Å; F253-W258 AromaticContact CD1-NE1 2.99Å; F253-W258 AromaticContact CE1-CE2 3.64Å; F253-W258 HydrophobicContact CE1-CH2 4.49Å; F253-W258 AromaticContact CE1-CZ2 3.47Å; F253-W258 HydrophobicContact CE1-CZ2 3.47Å; F253-W258 VanDerWaalsContact CE1-CZ2 3.47Å; F253-W258 AromaticContact CE1-NE1 3.6Å; F253-W258 AromaticContact CG-CD1 3.95Å; F253-W258 AromaticContact CG-NE1 3.66Å; F253-W258 HydrophobicContact CZ-CZ2 4.14Å; D255-W258 PolarHBondContact O-N 3.14Å; S256-W258 PolarHBondContact O-N 2.89Å; S256-W258 VanDerWaalsContact O-N 3.16Å; W258-D260 PolarHBondContact O-N 3.38Å; W258-T261 HydrophobicContact CE3-CG2 4.09Å; W258-T261 HydrophobicContact CZ3-CG2 4.4Å; W258-T261 PolarHBondContact O-N 3.12Å; W258-T261 PolarHBondContact O-OG1 3.4Å; W258-S262 PolarHBondContact O-N 2.87Å; W258-V278 HydrophobicContact CD2-CG1 3.89Å; W258-V278 HydrophobicContact CD2-CG2 4.32Å; W258-V278 HydrophobicContact CE3-CG1 3.58Å; W258-V278 HydrophobicContact CE3-CG2 4.25Å; W258-V278 HydrophobicContact CH2-CG1 3.62Å; W258-V278 HydrophobicContact CZ2-CG1 3.92Å; W258-V278 HydrophobicContact CZ3-CG1 3.45Å; W258-V278 VanDerWaalsContact CZ3-CG1 3.45Å; W258-A282 HydrophobicContact CH2-CB 4.28Å; W258-A282 HydrophobicContact CZ3-CB 4.33Å; W258-S283 WeakPolarHBondContact CH2-OG 3.18Å; W258-S283 WeakPolarHBondContact CZ2-OG 3.17Å; W258-M324 HydrophobicContact CD2-CE 3.99Å; W258-M324 HydrophobicContact CE3-CE 4.18Å; W258-M324 HydrophobicContact CH2-CE 3.99Å; W258-M324 HydrophobicContact CH2-CG 4.42Å; W258-M324 HydrophobicContact CH2-SD 3.83Å; W258-M324 HydrophobicContact CZ2-CE 3.77Å; W258-M324 HydrophobicContact CZ2-CG 3.67Å; W258-M324 HydrophobicContact CZ2-SD 3.66Å; W258-M324 HydrophobicContact CZ3-CE 4.18Å
259K60.9Low58.6Low140 Ų14084.4 Ų84.461%0.60945%0.452SS*.Hα-helixtrans-61.2-35.5172.7-72.5-178.6176.1175.60110.7S256 S262S256-K259 WeakPolarHBondContact O-CB 3.46Å; S256-K259 PolarHBondContact O-N 2.83Å; K259-S262 WeakPolarHBondContact O-CB 2.99Å; K259-S262 PolarHBondContact O-N 3.19Å; K259-S262 PolarHBondContact O-OG 3.48Å
260D63.1Low56.4Low59 Ų5989.2 Ų89.232%0.31648%0.48SS..Hα-helixtrans-69.4-35.3177.1-68.4-27.5000112.5Y3 T257 W258 S262 R263 F264Y3-D260 HydrophobicContact CE2-CB 4.13Å; T257-D260 PolarHBondContact O-N 2.91Å; W258-D260 PolarHBondContact O-N 3.38Å; D260-S262 PolarHBondContact O-N 3.49Å; D260-R263 WeakPolarHBondContact O-CB 3.02Å; D260-R263 PolarHBondContact O-N 2.94Å; D260-F264 WeakPolarHBondContact O-CD2 3.16Å; D260-F264 WeakPolarHBondContact O-CE2 3.36Å
261T62.2Low54.7Low35 Ų3590.6 Ų90.622%0.21549%0.491CS..Hα-helixtrans-61.8-27.5175.967.30000113.4Y3 T257 W258 R263 F264 M324Y3-T261 HydrophobicContact CD1-CG2 3.84Å; Y3-T261 HydrophobicContact CE1-CG2 4.15Å; Y3-T261 HydrophobicContact CG-CG2 4.08Å; T257-T261 PolarHBondContact O-N 2.69Å; W258-T261 HydrophobicContact CE3-CG2 4.09Å; W258-T261 HydrophobicContact CZ3-CG2 4.4Å; W258-T261 PolarHBondContact O-N 3.12Å; W258-T261 PolarHBondContact O-OG1 3.4Å; T261-R263 PolarHBondContact O-N 3.46Å; T261-F264 WeakPolarHBondContact O-CB 3.06Å; T261-F264 PolarHBondContact O-N 3.32Å; T261-M324 HydrophobicContact CG2-CE 3.63Å
262S55Low52.9Low59 Ų5999.5 Ų99.541%0.41353%0.53SS..G310 helixtrans-62-26.1179.275.10000113W258 K259 D260 F264 G265W258-S262 PolarHBondContact O-N 2.87Å; K259-S262 WeakPolarHBondContact O-CB 2.99Å; K259-S262 PolarHBondContact O-N 3.19Å; K259-S262 PolarHBondContact O-OG 3.48Å; D260-S262 PolarHBondContact O-N 3.49Å; S262-F264 PolarHBondContact O-N 2.93Å; S262-G265 PolarHBondContact O-N 2.89Å
263R60.6Low51.6Low202 Ų202102.7 Ų102.776%0.76254%0.537SS*.G310 helixtrans-65.5-17.5175.8-60.2-177.1-176.4-175.54.6113.1D260 T261D260-R263 WeakPolarHBondContact O-CB 3.02Å; D260-R263 PolarHBondContact O-N 2.94Å; T261-R263 PolarHBondContact O-N 3.46Å
264F58.8Low50.4Low70 Ų70107.5 Ų107.531%0.30756%0.564SS.*G310 helixtrans-101.2-5.2-175.4-61-81.5000113.9R2 Y3 E6 D260 T261 S262R2-F264 HydrophobicContact CB-CD1 4.43Å; R2-F264 HydrophobicContact CG-CD1 4.08Å; R2-F264 HydrophobicContact CG-CE1 4.42Å; Y3-F264 HydrophobicContact CD2-CD2 4.05Å; Y3-F264 AromaticContact CD2-CE2 3.54Å; Y3-F264 HydrophobicContact CD2-CE2 3.54Å; Y3-F264 HydrophobicContact CD2-CZ 4.18Å; Y3-F264 HydrophobicContact CE2-CE2 4.3Å; Y3-F264 HydrophobicContact CG-CE2 4.42Å; E6-F264 VanDerWaalsContact CD-CE1 3.49Å; E6-F264 VanDerWaalsContact OE1-CE1 3.31Å; E6-F264 WeakPolarHBondContact OE1-CE1 3.44Å; E6-F264 WeakPolarHBondContact OE2-CE1 3.32Å; E6-F264 WeakPolarHBondContact OE2-CZ 3.45Å; D260-F264 WeakPolarHBondContact O-CD2 3.16Å; D260-F264 WeakPolarHBondContact O-CE2 3.36Å; T261-F264 WeakPolarHBondContact O-CB 3.06Å; T261-F264 PolarHBondContact O-N 3.32Å; S262-F264 PolarHBondContact O-N 2.93Å
265G53.3Low49.8Very low52 Ų52108 Ų10854%0.53656%0.558SS.*  trans-80.3131.817900000113.1S262S262-G265 PolarHBondContact O-N 2.89Å
266K45.7Very low49.5Very low195 Ų195108.5 Ų108.585%0.84856%0.556SS**SBendtrans-81.8-13.4175.2-118.6-175.8-176.7-1770114.1
267Y40.3Very low49Very low178 Ų178110.4 Ų110.470%0.69856%0.558SS**SBendtrans-123.4133.2-179.8-68.7-83.7000108.3V269Y267-V269 PolarHBondContact O-N 3Å
268P35.4Very low48.8Very low114 Ų114109.4 Ų109.474%0.7455%0.552SS**  trans-62.1114.3173.826-29.8000107.1V270P268-V270 PolarHBondContact O-N 3.06Å
269V42.3Very low49Very low78 Ų78111.7 Ų111.747%0.47357%0.567SS.*  trans-57.4110.4163.8179.70000104.5Y267 S271 I277Y267-V269 PolarHBondContact O-N 3Å; V269-S271 PolarHBondContact O-N 3.32Å; V269-I277 HydrophobicContact CG1-CB 4.27Å
270V36.4Very low49.6Very low116 Ų116105.2 Ų105.270%0.70354%0.538SS*.  trans-61.598.3-174.7179.20000107.9P268P268-V270 PolarHBondContact O-N 3.06Å
271S37.9Very low50.3Low63 Ų63103 Ų10344%0.44153%0.525SS..  trans-85.7110.6164.266.70000107.2V269 E273V269-S271 PolarHBondContact O-N 3.32Å; S271-E273 PolarHBondContact O-N 3.35Å
272K36Very low51.1Low192 Ų192103.2 Ų103.284%0.83553%0.531SS*.SBendtrans-73.7106.3143.5-84.1-176.1172-1770104.4
273E37.6Very low52.3Low180 Ų180100.4 Ų100.484%0.84151%0.511SS*.THydrogen-bonded Turntrans5591.7168.7-63.5173.8176.600115S271 N275S271-E273 PolarHBondContact O-N 3.35Å; E273-N275 PolarHBondContact O-N 2.81Å
274N41.1Very low53.6Low152 Ų15290.8 Ų90.881%0.81348%0.475SS*.THydrogen-bonded Turntrans57.5-1.3162.5-80.7-10.8000120.7
275N41.4Very low54.9Low129 Ų12988.5 Ų88.569%0.6947%0.466SS*.  trans-103.3112.4174.2-79.7-13.1000111.7E273E273-N275 PolarHBondContact O-N 2.81Å
276F49.3Very low56.6Low110 Ų11088.2 Ų88.248%0.48245%0.449SS..  trans-73.3120.8171.2-69.3-90.7000109.3V278F276-V278 PolarHBondContact O-N 2.84Å
277I49.5Very low58.8Low120 Ų12079 Ų7962%0.61541%0.409SS*.  trans-80.997.6170.2-55.8174.8000107.3L220 V269L220-I277 HydrophobicContact CD1-CG2 4.25Å; V269-I277 HydrophobicContact CG1-CB 4.27Å
278V55.9Low61.3Low24 Ų2470.5 Ų70.515%0.14538%0.376CS..  trans-72.6148177.7179.20000109.3L220 F253 W258 F276L220-V278 HydrophobicContact CD1-CB 4.14Å; L220-V278 WeakPolarHBondContact CD1-O 3.38Å; L220-V278 HydrophobicContact CD2-CB 4.1Å; L220-V278 HydrophobicContact CD2-CG1 4.39Å; L220-V278 WeakPolarHBondContact CD2-O 3.19Å; L220-V278 WeakPolarHBondContact CG-O 3.22Å; F253-V278 HydrophobicContact CD2-CB 4.05Å; F253-V278 HydrophobicContact CD2-CG1 4.04Å; F253-V278 HydrophobicContact CD2-CG2 4.23Å; F253-V278 HydrophobicContact CE1-CG1 4.4Å; F253-V278 HydrophobicContact CE2-CB 3.94Å; F253-V278 HydrophobicContact CE2-CG1 3.68Å; F253-V278 HydrophobicContact CZ-CG1 3.85Å; W258-V278 HydrophobicContact CD2-CG1 3.89Å; W258-V278 HydrophobicContact CD2-CG2 4.32Å; W258-V278 HydrophobicContact CE3-CG1 3.58Å; W258-V278 HydrophobicContact CE3-CG2 4.25Å; W258-V278 HydrophobicContact CH2-CG1 3.62Å; W258-V278 HydrophobicContact CZ2-CG1 3.92Å; W258-V278 HydrophobicContact CZ3-CG1 3.45Å; W258-V278 VanDerWaalsContact CZ3-CG1 3.45Å; F276-V278 PolarHBondContact O-N 2.84Å
279N65.5Low64.1Low78 Ų7865.1 Ų65.142%0.41734%0.34SS..  trans-102.2118.9171.5-177.4-16000108.5Y281 A282N279-Y281 PolarHBondContact O-N 3.39Å; N279-Y281 WeakPolarHBondContact OD1-CB 3.49Å; N279-Y281 WeakPolarHBondContact OD1-CD2 3.36Å; N279-Y281 PolarHBondContact OD1-N 2.81Å; N279-A282 HydrophobicContact CB-CB 4.49Å; N279-A282 WeakPolarHBondContact O-CA 3.42Å; N279-A282 WeakPolarHBondContact O-CB 3.42Å; N279-A282 PolarHBondContact O-N 3.26Å
280R74.8Confident66.6Low3 Ų363.4 Ų63.41%0.01133%0.328CS..Hα-helixtrans-58.9-30.8-179-171.8170.2177.8177.26.6113Y217 Y219 L220 S249 A282 S283 Y284Y217-R280 WeakPolarHBondContact O-CB 3.43Å; Y217-R280 VanDerWaalsContact O-CD 3.31Å; Y217-R280 WeakPolarHBondContact O-CD 2.98Å; Y219-R280 WeakPolarHBondContact O-CD 2.94Å; Y219-R280 PolarHBondContact O-NH1 3.24Å; L220-R280 HydrophobicContact CD2-CB 4.08Å; S249-R280 PolarHBondContact O-NH1 2.96Å; S249-R280 VanDerWaalsContact O-NH1 3.15Å; S249-R280 PolarHBondContact O-NH2 3.01Å; R280-A282 PolarHBondContact O-N 3.39Å; R280-S283 VanDerWaalsContact O-CB 3.24Å; R280-S283 WeakPolarHBondContact O-CB 3.35Å; R280-S283 PolarHBondContact O-N 3.46Å; R280-S283 PolarHBondContact O-OG 3.41Å; R280-Y284 HydrophobicContact CG-CD2 4.4Å; R280-Y284 HydrophobicContact CG-CE2 3.83Å; R280-Y284 WeakPolarHBondContact O-CD2 3.26Å; R280-Y284 PolarHBondContact O-N 3.49Å
281Y77.8Confident69.4Low12 Ų1258.2 Ų58.25%0.04730%0.296CS..Hα-helixtrans-65.1-23.9172.8-64.1-63.1000113.6V74 V94 T218 N279 S283 Y284 L285V74-Y281 HydrophobicContact CB-CD1 3.85Å; V74-Y281 HydrophobicContact CB-CE1 4.27Å; V74-Y281 HydrophobicContact CB-CG 4.29Å; V74-Y281 HydrophobicContact CG2-CD1 3.55Å; V74-Y281 HydrophobicContact CG2-CD2 4.1Å; V74-Y281 HydrophobicContact CG2-CE1 3.69Å; V74-Y281 HydrophobicContact CG2-CE2 4.19Å; V74-Y281 HydrophobicContact CG2-CG 3.79Å; V94-Y281 HydrophobicContact CG2-CD1 4.26Å; V94-Y281 HydrophobicContact CG2-CE1 4.3Å; T218-Y281 HydrophobicContact CG2-CE2 3.55Å; N279-Y281 PolarHBondContact O-N 3.39Å; N279-Y281 WeakPolarHBondContact OD1-CB 3.49Å; N279-Y281 WeakPolarHBondContact OD1-CD2 3.36Å; N279-Y281 PolarHBondContact OD1-N 2.81Å; Y281-S283 VanDerWaalsContact C-N 3.27Å; Y281-S283 PolarHBondContact O-N 3.21Å; Y281-Y284 HydrophobicContact CD1-CD2 4.11Å; Y281-Y284 PolarHBondContact O-N 3.44Å; Y281-L285 WeakPolarHBondContact O-CB 3.46Å; Y281-L285 PolarHBondContact O-N 3.39Å
282A77.8Confident72.1Confident40 Ų4055.3 Ų55.333%0.33128%0.276SS..Hα-helixtrans-66.8-32.9172.800000111.5W258 N279 R280 L285 Y286W258-A282 HydrophobicContact CH2-CB 4.28Å; W258-A282 HydrophobicContact CZ3-CB 4.33Å; N279-A282 HydrophobicContact CB-CB 4.49Å; N279-A282 WeakPolarHBondContact O-CA 3.42Å; N279-A282 WeakPolarHBondContact O-CB 3.42Å; N279-A282 PolarHBondContact O-N 3.26Å; R280-A282 PolarHBondContact O-N 3.39Å; A282-L285 PolarHBondContact O-N 3.42Å; A282-Y286 PolarHBondContact O-N 3.01Å
283S81.4Confident75Confident0 Ų046.2 Ų46.20%024%0.236CC..Hα-helixtrans-65.5-48.5173-44.10000110.7W258 R280 Y281 L285 Y286 D287W258-S283 WeakPolarHBondContact CH2-OG 3.18Å; W258-S283 WeakPolarHBondContact CZ2-OG 3.17Å; R280-S283 VanDerWaalsContact O-CB 3.24Å; R280-S283 WeakPolarHBondContact O-CB 3.35Å; R280-S283 PolarHBondContact O-N 3.46Å; R280-S283 PolarHBondContact O-OG 3.41Å; Y281-S283 VanDerWaalsContact C-N 3.27Å; Y281-S283 PolarHBondContact O-N 3.21Å; S283-L285 VanDerWaalsContact C-N 3.26Å; S283-L285 PolarHBondContact O-N 3.42Å; S283-Y286 WeakPolarHBondContact O-CB 3.48Å; S283-Y286 PolarHBondContact O-N 3.21Å; S283-Y286 VanDerWaalsContact O-N 3.08Å; S283-D287 WeakPolarHBondContact O-CB 3.29Å; S283-D287 PolarHBondContact O-N 2.95Å
284Y86.5Confident77.7Confident1 Ų139.7 Ų39.70%0.00421%0.208CC..Hα-helixtrans-61.5-35176.8-68.3-58.5000113Y73 T93 V94 Y217 R280 Y281 D287 A288 Q325Y73-Y284 WeakPolarHBondContact O-CB 3.47Å; T93-Y284 WeakPolarHBondContact O-CD1 3.23Å; T93-Y284 WeakPolarHBondContact O-CE1 3.16Å; T93-Y284 PolarHBondContact OG1-O 3.5Å; V94-Y284 HydrophobicContact CG2-CD1 4.1Å; V94-Y284 HydrophobicContact CG2-CD2 3.56Å; V94-Y284 HydrophobicContact CG2-CE2 4.04Å; V94-Y284 HydrophobicContact CG2-CG 3.6Å; Y217-Y284 HydrophobicContact CD1-CE2 4.23Å; Y217-Y284 WeakPolarHBondContact CD1-OH 3.26Å; Y217-Y284 HydrophobicContact CG-CE2 4.39Å; R280-Y284 HydrophobicContact CG-CD2 4.4Å; R280-Y284 HydrophobicContact CG-CE2 3.83Å; R280-Y284 WeakPolarHBondContact O-CD2 3.26Å; R280-Y284 PolarHBondContact O-N 3.49Å; Y281-Y284 HydrophobicContact CD1-CD2 4.11Å; Y281-Y284 PolarHBondContact O-N 3.44Å; Y284-D287 PolarHBondContact O-N 3.16Å; Y284-A288 WeakPolarHBondContact O-CB 3.49Å; Y284-A288 PolarHBondContact O-N 3.46Å; Y284-Q325 PolarHBondContact OH-OE1 3.14Å
285L87.3Confident80.3Confident21 Ų2132.4 Ų32.411%0.1117%0.17CC..Hα-helixtrans-67.7-40.3173.4-179.958.1000112M1 V50 Y73 Y281 A282 S283 V289M1-L285 HydrophobicContact CB-CD2 4.14Å; M1-L285 HydrophobicContact CB-CG 4.44Å; M1-L285 HydrophobicContact SD-CD1 3.75Å; M1-L285 HydrophobicContact SD-CG 4.3Å; V50-L285 HydrophobicContact CG1-CD1 3.49Å; V50-L285 VanDerWaalsContact CG1-CD1 3.49Å; Y73-L285 HydrophobicContact CD1-CD1 3.66Å; Y73-L285 HydrophobicContact CD2-CB 3.62Å; Y73-L285 HydrophobicContact CD2-CD1 4.04Å; Y73-L285 HydrophobicContact CD2-CG 4.28Å; Y73-L285 HydrophobicContact CE1-CD1 3.77Å; Y73-L285 HydrophobicContact CE2-CB 4.09Å; Y73-L285 HydrophobicContact CE2-CD1 4.18Å; Y73-L285 HydrophobicContact CE2-CD2 4.25Å; Y73-L285 HydrophobicContact CE2-CG 4.4Å; Y73-L285 HydrophobicContact CG-CB 3.96Å; Y73-L285 HydrophobicContact CG-CD1 3.79Å; Y73-L285 HydrophobicContact CG-CG 4.43Å; Y281-L285 WeakPolarHBondContact O-CB 3.46Å; Y281-L285 PolarHBondContact O-N 3.39Å; A282-L285 PolarHBondContact O-N 3.42Å; S283-L285 VanDerWaalsContact C-N 3.26Å; S283-L285 PolarHBondContact O-N 3.42Å; L285-V289 WeakPolarHBondContact O-CG2 3.49Å; L285-V289 PolarHBondContact O-N 2.99Å
286Y88.8Confident82.9Confident46 Ų4626.3 Ų26.318%0.1814%0.137CC..Hα-helixtrans-62-49.6173.2177.1-84.4000110.3Y3 A4 A282 S283 A288 V289 M290 M324Y3-Y286 AromaticContact CD1-CD2 3.94Å; Y3-Y286 HydrophobicContact CD1-CD2 3.94Å; Y3-Y286 AromaticContact CD1-CE2 3.73Å; Y3-Y286 HydrophobicContact CD1-CE2 3.73Å; Y3-Y286 HydrophobicContact CE1-CD2 4.45Å; Y3-Y286 AromaticContact CE1-CE2 3.89Å; Y3-Y286 HydrophobicContact CE1-CE2 3.89Å; A4-Y286 HydrophobicContact CB-CD2 3.47Å; A4-Y286 VanDerWaalsContact CB-CD2 3.47Å; A4-Y286 HydrophobicContact CB-CE2 3.86Å; A4-Y286 HydrophobicContact CB-CG 4.12Å; A282-Y286 PolarHBondContact O-N 3.01Å; S283-Y286 WeakPolarHBondContact O-CB 3.48Å; S283-Y286 PolarHBondContact O-N 3.21Å; S283-Y286 VanDerWaalsContact O-N 3.08Å; Y286-A288 VanDerWaalsContact C-N 3.31Å; Y286-A288 PolarHBondContact O-N 3.06Å; Y286-V289 PolarHBondContact O-N 3.3Å; Y286-V289 VanDerWaalsContact O-N 3.16Å; Y286-M290 HydrophobicContact CD1-CG 3.84Å; Y286-M290 HydrophobicContact CE1-CG 3.39Å; Y286-M290 HydrophobicContact CE1-SD 4.32Å; Y286-M290 HydrophobicContact CE2-CG 4.41Å; Y286-M290 WeakPolarHBondContact O-CG 3.45Å; Y286-M290 PolarHBondContact O-N 2.94Å; Y286-M324 HydrophobicContact CD1-CB 3.74Å; Y286-M324 HydrophobicContact CD1-CG 4.23Å; Y286-M324 HydrophobicContact CD1-SD 3.89Å; Y286-M324 HydrophobicContact CD2-SD 3.75Å; Y286-M324 HydrophobicContact CE1-CB 4.27Å; Y286-M324 HydrophobicContact CE1-SD 4.49Å; Y286-M324 HydrophobicContact CE2-SD 4.38Å; Y286-M324 HydrophobicContact CG-CB 4.26Å; Y286-M324 HydrophobicContact CG-CG 4.41Å; Y286-M324 HydrophobicContact CG-SD 3.49Å
287D91.3Very high85.1Confident2 Ų222.3 Ų22.31%0.01112%0.12CC..Hα-helixtrans-59.4-41.1-179.8-65.8-12.8000111.5T93 S283 Y284 V289 M290 L291 Y321 S323 M324T93-D287 HydrophobicContact CG2-CB 4.21Å; S283-D287 WeakPolarHBondContact O-CB 3.29Å; S283-D287 PolarHBondContact O-N 2.95Å; Y284-D287 PolarHBondContact O-N 3.16Å; D287-V289 VanDerWaalsContact C-N 3.33Å; D287-V289 PolarHBondContact O-N 2.95Å; D287-M290 PolarHBondContact O-N 2.95Å; D287-L291 WeakPolarHBondContact O-CB 3.5Å; D287-L291 WeakPolarHBondContact O-CG 3.44Å; D287-L291 PolarHBondContact O-N 3.2Å; D287-Y321 HydrophobicContact CB-CE2 3.69Å; D287-S323 VanDerWaalsContact OD2-CB 3.3Å; D287-S323 WeakPolarHBondContact OD2-CB 3.31Å; D287-S323 PolarHBondContact OD2-OG 3.33Å; D287-M324 PolarHBondContact OD1-N 3.13Å
288A93.9Very high87.3Confident0 Ų018.9 Ų18.90%010%0.101CC..Hα-helixtrans-60.8-41.5177.800000112.2V50 I71 T93 Y284 Y286 Y292V50-A288 HydrophobicContact CG1-CB 3.92Å; I71-A288 HydrophobicContact CB-CB 4.27Å; I71-A288 HydrophobicContact CG2-CB 3.65Å; T93-A288 HydrophobicContact CG2-CB 3.95Å; Y284-A288 WeakPolarHBondContact O-CB 3.49Å; Y284-A288 PolarHBondContact O-N 3.46Å; Y286-A288 VanDerWaalsContact C-N 3.31Å; Y286-A288 PolarHBondContact O-N 3.06Å; A288-Y292 WeakPolarHBondContact O-CB 3.45Å; A288-Y292 PolarHBondContact O-N 3.4Å
289V94.2Very high89.1Confident0 Ų018.8 Ų18.80%010%0.099CC..Hα-helixtrans-68.6-44.5177.1176.50000111.1M1 A4 I5 L285 Y286 D287 Y292 A293M1-V289 HydrophobicContact CE-CG2 3.44Å; M1-V289 VanDerWaalsContact CE-CG2 3.44Å; M1-V289 HydrophobicContact CG-CG2 4.47Å; M1-V289 HydrophobicContact SD-CG2 3.31Å; M1-V289 WeakPolarHBondContact SD-CG2 3.26Å; A4-V289 HydrophobicContact CB-CB 3.8Å; A4-V289 HydrophobicContact CB-CG1 3.79Å; A4-V289 HydrophobicContact CB-CG2 4.29Å; I5-V289 HydrophobicContact CG1-CG1 4.1Å; L285-V289 WeakPolarHBondContact O-CG2 3.49Å; L285-V289 PolarHBondContact O-N 2.99Å; Y286-V289 PolarHBondContact O-N 3.3Å; Y286-V289 VanDerWaalsContact O-N 3.16Å; D287-V289 VanDerWaalsContact C-N 3.33Å; D287-V289 PolarHBondContact O-N 2.95Å; V289-Y292 PolarHBondContact O-N 3.24Å; V289-A293 WeakPolarHBondContact O-CB 3.43Å; V289-A293 PolarHBondContact O-N 3.47Å
290M93.8Very high90.4Very high43 Ų4317.1 Ų17.121%0.2129%0.09CC..Hα-helixtrans-64.2-44.5179.6-67.1-53.8-59.600111.5V8 L14 Y286 D287 Y292 A293 T294V8-M290 HydrophobicContact CG2-CE 4.31Å; V8-M290 HydrophobicContact CG2-SD 3.74Å; L14-M290 HydrophobicContact CD2-CE 4.13Å; Y286-M290 HydrophobicContact CD1-CG 3.84Å; Y286-M290 HydrophobicContact CE1-CG 3.39Å; Y286-M290 HydrophobicContact CE1-SD 4.32Å; Y286-M290 HydrophobicContact CE2-CG 4.41Å; Y286-M290 WeakPolarHBondContact O-CG 3.45Å; Y286-M290 PolarHBondContact O-N 2.94Å; D287-M290 PolarHBondContact O-N 2.95Å; M290-Y292 PolarHBondContact O-N 3.21Å; M290-A293 PolarHBondContact O-N 3.01Å; M290-T294 WeakPolarHBondContact O-CB 3.31Å; M290-T294 PolarHBondContact O-N 3.38Å; M290-T294 PolarHBondContact O-OG1 3.39Å; M290-T294 VanDerWaalsContact O-OG1 3.08Å
291L95.2Very high91.3Very high7 Ų723.7 Ų23.74%0.03712%0.12CC..Hα-helixtrans-60.4-44.6175.8-78.4171.4000111.9T93 D287 A295 I316 Y321 I331T93-L291 HydrophobicContact CG2-CD1 3.67Å; D287-L291 WeakPolarHBondContact O-CB 3.5Å; D287-L291 WeakPolarHBondContact O-CG 3.44Å; D287-L291 PolarHBondContact O-N 3.2Å; L291-A295 WeakPolarHBondContact O-CB 3.08Å; L291-A295 PolarHBondContact O-N 2.72Å; L291-I316 HydrophobicContact CB-CD1 4.42Å; L291-I316 HydrophobicContact CD1-CG2 4.43Å; L291-I316 HydrophobicContact CD2-CG2 4.44Å; L291-Y321 HydrophobicContact CD1-CD1 4.04Å; L291-Y321 HydrophobicContact CD1-CE1 3.74Å; L291-Y321 HydrophobicContact CD1-CE2 4.35Å; L291-Y321 HydrophobicContact CD1-CG 4.44Å; L291-Y321 HydrophobicContact CD2-CD1 3.8Å; L291-Y321 HydrophobicContact CD2-CD2 4.47Å; L291-Y321 HydrophobicContact CD2-CE1 4.38Å; L291-Y321 HydrophobicContact CD2-CG 3.84Å; L291-Y321 HydrophobicContact CG-CD1 4.31Å; L291-Y321 HydrophobicContact CG-CD2 4.49Å; L291-Y321 HydrophobicContact CG-CE1 4.47Å; L291-Y321 HydrophobicContact CG-CG 4.31Å; L291-I331 HydrophobicContact CD1-CG1 4.4Å
292Y95.7Very high92Very high2 Ų226.1 Ų26.11%0.00814%0.143CC..Hα-helixtrans-59-49.5174.7174.3-103.7000111.7L20 A48 P69 A288 V289 M290 T294 A295 L296 I312 L978L20-Y292 HydrophobicContact CD2-CE1 4.08Å; A48-Y292 HydrophobicContact CB-CD2 4Å; A48-Y292 HydrophobicContact CB-CE1 4.19Å; A48-Y292 HydrophobicContact CB-CE2 3.39Å; A48-Y292 VanDerWaalsContact CB-CZ 3.47Å; P69-Y292 HydrophobicContact CB-CD2 4.3Å; P69-Y292 HydrophobicContact CB-CE2 4.05Å; P69-Y292 HydrophobicContact CG-CE2 3.84Å; A288-Y292 WeakPolarHBondContact O-CB 3.45Å; A288-Y292 PolarHBondContact O-N 3.4Å; V289-Y292 PolarHBondContact O-N 3.24Å; M290-Y292 PolarHBondContact O-N 3.21Å; Y292-T294 PolarHBondContact O-N 2.99Å; Y292-A295 PolarHBondContact O-N 3.3Å; Y292-L296 HydrophobicContact CE1-CD2 3.83Å; Y292-L296 WeakPolarHBondContact O-CB 3.45Å; Y292-L296 PolarHBondContact O-N 2.84Å; Y292-I312 HydrophobicContact CD2-CG2 4.12Å; Y292-I312 HydrophobicContact CE2-CG2 4.08Å; Y292-L978 HydrophobicContact CD1-CD1 3.29Å; Y292-L978 HydrophobicContact CE1-CD1 3.64Å; Y292-L978 HydrophobicContact CG-CD1 3.98Å
293A95.3Very high92.7Very high0 Ų027.5 Ų27.50%016%0.162CC..Hα-helixtrans-62-43.7-178.300000112.1V8 L14 L15 L20 V289 M290 H297V8-A293 HydrophobicContact CB-CB 4.48Å; V8-A293 HydrophobicContact CG1-CB 3.92Å; V8-A293 HydrophobicContact CG2-CB 3.66Å; L14-A293 HydrophobicContact CD2-CB 4.02Å; L14-A293 HydrophobicContact CG-CB 4.46Å; L15-A293 HydrophobicContact CD1-CB 4.22Å; L20-A293 HydrophobicContact CD1-CB 4.05Å; V289-A293 WeakPolarHBondContact O-CB 3.43Å; V289-A293 PolarHBondContact O-N 3.47Å; M290-A293 PolarHBondContact O-N 3.01Å; A293-H297 VanDerWaalsContact O-CB 3.26Å; A293-H297 WeakPolarHBondContact O-CB 3.29Å; A293-H297 PolarHBondContact O-N 3.41Å
294T95.4Very high93.1Very high43 Ų4328.9 Ų28.926%0.26418%0.175SC..Hα-helixtrans-64.8-48.2176.3-59.60000111.9M290 Y292 L296 H297 E298M290-T294 WeakPolarHBondContact O-CB 3.31Å; M290-T294 PolarHBondContact O-N 3.38Å; M290-T294 PolarHBondContact O-OG1 3.39Å; M290-T294 VanDerWaalsContact O-OG1 3.08Å; Y292-T294 PolarHBondContact O-N 2.99Å; T294-L296 VanDerWaalsContact C-N 3.3Å; T294-L296 PolarHBondContact O-N 3.44Å; T294-H297 PolarHBondContact O-N 3.12Å; T294-E298 WeakPolarHBondContact CG2-OE1 3.45Å; T294-E298 WeakPolarHBondContact O-CG 3.31Å; T294-E298 PolarHBondContact O-N 3.19Å
295A96.1Very high93.2Very high0 Ų033.3 Ų33.30%020%0.199CC..Hα-helixtrans-61.3-40.2178.400000112.4L291 Y292 E299 I312 R315 I316L291-A295 WeakPolarHBondContact O-CB 3.08Å; L291-A295 PolarHBondContact O-N 2.72Å; Y292-A295 PolarHBondContact O-N 3.3Å; A295-E299 WeakPolarHBondContact O-CB 3.4Å; A295-E299 PolarHBondContact O-N 2.81Å; A295-I312 HydrophobicContact CB-CG2 4Å; A295-I312 WeakPolarHBondContact CB-O 3.25Å; A295-R315 HydrophobicContact CB-CB 3.95Å; A295-I316 HydrophobicContact CB-CD1 4.06Å; A295-I316 HydrophobicContact CB-CG1 3.56Å
296L95.3Very high93.3Very high0 Ų033.3 Ų33.30%020%0.203CC..Hα-helixtrans-68.8-42177.2178.360000112.4L15 Y292 T294 E298 E299 I300 A306 I312 F980L15-L296 HydrophobicContact CD1-CD2 4.4Å; L15-L296 HydrophobicContact CD2-CD2 4.39Å; L15-L296 HydrophobicContact CD2-CG 4.16Å; Y292-L296 HydrophobicContact CE1-CD2 3.83Å; Y292-L296 WeakPolarHBondContact O-CB 3.45Å; Y292-L296 PolarHBondContact O-N 2.84Å; T294-L296 VanDerWaalsContact C-N 3.3Å; T294-L296 PolarHBondContact O-N 3.44Å; L296-E298 VanDerWaalsContact C-N 3.32Å; L296-E298 PolarHBondContact O-N 3.06Å; L296-E299 PolarHBondContact O-N 3.45Å; L296-I300 HydrophobicContact CD1-CD1 3.93Å; L296-I300 HydrophobicContact CD1-CG1 4.17Å; L296-I300 HydrophobicContact CG-CD1 3.88Å; L296-I300 HydrophobicContact CG-CG1 4.5Å; L296-I300 VanDerWaalsContact O-CG1 3.3Å; L296-I300 WeakPolarHBondContact O-CG1 3.05Å; L296-I300 PolarHBondContact O-N 2.97Å; L296-A306 HydrophobicContact CD1-CB 3.85Å; L296-I312 HydrophobicContact CB-CG2 4.46Å; L296-I312 HydrophobicContact CD1-CD1 3.72Å; L296-I312 HydrophobicContact CD1-CG1 4.06Å; L296-F980 HydrophobicContact CD2-CD2 4.11Å; L296-F980 HydrophobicContact CD2-CE1 4.44Å; L296-F980 HydrophobicContact CD2-CE2 3.05Å; L296-F980 HydrophobicContact CD2-CZ 3.26Å; L296-F980 HydrophobicContact CG-CE2 4.37Å; L296-F980 HydrophobicContact CG-CZ 4.21Å
297H95.3Very high93.3Very high26 Ų2638.4 Ų38.412%0.1223%0.225CC..Hα-helixtrans-58.7-46.8176.3175.761.8000111.2Q13 L14 L15 A293 T294 E299 I300 E301Q13-H297 PolarHBondContact O-CE1 3.18Å; Q13-H297 VanDerWaalsContact O-CE1 3.26Å; Q13-H297 PolarHBondContact O-NE2 3.33Å; L14-H297 HydrophobicContact CD1-CB 3.72Å; L15-H297 HydrophobicContact CD2-CB 3.8Å; L15-H297 HydrophobicContact CG-CB 4.16Å; L15-H297 PolarHBondContact N-ND1 3.27Å; A293-H297 VanDerWaalsContact O-CB 3.26Å; A293-H297 WeakPolarHBondContact O-CB 3.29Å; A293-H297 PolarHBondContact O-N 3.41Å; T294-H297 PolarHBondContact O-N 3.12Å; H297-E299 VanDerWaalsContact C-N 3.32Å; H297-E299 PolarHBondContact O-N 2.72Å; H297-I300 PolarHBondContact O-N 3.46Å; H297-E301 VanDerWaalsContact CE1-CD 3.48Å; H297-E301 IonicContact CE1-OE1 2.84Å; H297-E301 PolarHBondContact CE1-OE1 3.27Å; H297-E301 VanDerWaalsContact CE1-OE1 3.25Å; H297-E301 IonicContact NE2-OE1 2.81Å; H297-E301 PolarHBondContact NE2-OE1 3.4Å; H297-E301 IonicContact NE2-OE2 3.27Å; H297-E301 WeakPolarHBondContact O-CB 3.42Å; H297-E301 WeakPolarHBondContact O-CG 3.33Å; H297-E301 PolarHBondContact O-N 3.27Å
298E95.2Very high93.4Very high49 Ų4940.7 Ų40.723%0.22924%0.238CC..Hα-helixtrans-63.3-36.9176.9-70.8167.2-176.700113T294 L296 A302 R319T294-E298 WeakPolarHBondContact CG2-OE1 3.45Å; T294-E298 WeakPolarHBondContact O-CG 3.31Å; T294-E298 PolarHBondContact O-N 3.19Å; L296-E298 VanDerWaalsContact C-N 3.32Å; L296-E298 PolarHBondContact O-N 3.06Å; E298-A302 VanDerWaalsContact O-CB 3.3Å; E298-A302 WeakPolarHBondContact O-CB 3.36Å; E298-A302 PolarHBondContact O-N 3.08Å; E298-R319 IonicContact OE1-CZ 2.62Å; E298-R319 IonicContact OE1-NH1 2.76Å; E298-R319 IonicContact OE1-NH2 3.4Å; E298-R319 PolarHBondContact OE1-NH2 3.29Å; E298-R319 IonicContact OE2-CZ 3.35Å; E298-R319 VanDerWaalsContact OE2-CZ 3.25Å; E298-R319 IonicContact OE2-NH1 2.77Å; E298-R319 PolarHBondContact OE2-NH1 2.73Å; E298-R319 IonicContact OE2-NH2 3.73Å; E298-R319 PolarHBondContact OE2-NH2 2.86Å
299E95Very high93.4Very high22 Ų2240.7 Ų40.710%0.10324%0.238CC..Hα-helixtrans-67.1-41.6175.9-171.858.5-163.400111.4A295 L296 H297 A302 G303 G304 A311 I312 R315A295-E299 WeakPolarHBondContact O-CB 3.4Å; A295-E299 PolarHBondContact O-N 2.81Å; L296-E299 PolarHBondContact O-N 3.45Å; H297-E299 VanDerWaalsContact C-N 3.32Å; H297-E299 PolarHBondContact O-N 2.72Å; E299-A302 PolarHBondContact O-N 2.75Å; E299-G303 PolarHBondContact O-N 3.04Å; E299-G304 VanDerWaalsContact O-CA 3.28Å; E299-G304 WeakPolarHBondContact O-CA 3.47Å; E299-G304 PolarHBondContact O-N 3.48Å; E299-G304 WeakPolarHBondContact OE1-CA 3.17Å; E299-A311 HydrophobicContact CG-CB 4.37Å; E299-A311 WeakPolarHBondContact OE1-CB 3.45Å; E299-I312 HydrophobicContact CB-CG1 4.36Å; E299-I312 HydrophobicContact CG-CG1 4.29Å; E299-R315 IonicContact OE2-CZ 2.66Å; E299-R315 VanDerWaalsContact OE2-CZ 3.27Å; E299-R315 IonicContact OE2-NE 3.55Å; E299-R315 PolarHBondContact OE2-NE 2.92Å; E299-R315 IonicContact OE2-NH2 3.85Å; E299-R315 PolarHBondContact OE2-NH2 3.3Å
300I92.9Very high93.5Very high42 Ų4242.4 Ų42.422%0.21525%0.25CC..Hα-helixtrans-66.2-44.1175.7-68.4168.1000111.2L15 Y18 L296 H297 A302 G303 A306 F980L15-I300 HydrophobicContact CD2-CD1 3.86Å; Y18-I300 HydrophobicContact CD2-CD1 4.15Å; Y18-I300 HydrophobicContact CE2-CD1 3.88Å; Y18-I300 HydrophobicContact CE2-CG2 4.21Å; L296-I300 HydrophobicContact CD1-CD1 3.93Å; L296-I300 HydrophobicContact CD1-CG1 4.17Å; L296-I300 HydrophobicContact CG-CD1 3.88Å; L296-I300 HydrophobicContact CG-CG1 4.5Å; L296-I300 VanDerWaalsContact O-CG1 3.3Å; L296-I300 WeakPolarHBondContact O-CG1 3.05Å; L296-I300 PolarHBondContact O-N 2.97Å; H297-I300 PolarHBondContact O-N 3.46Å; I300-A302 VanDerWaalsContact C-N 3.27Å; I300-A302 PolarHBondContact O-N 3.11Å; I300-G303 WeakPolarHBondContact O-CA 3.36Å; I300-G303 PolarHBondContact O-N 2.74Å; I300-A306 HydrophobicContact CD1-CB 4.13Å; I300-A306 HydrophobicContact CG1-CB 4.1Å; I300-F980 HydrophobicContact CD1-CZ 4.46Å
301E92.9Very high93.5Very high141 Ų14141.3 Ų41.366%0.65925%0.247SC*.Hα-helixtrans-63-34.2177.8-76.3-162.414700112.3H297 G303H297-E301 VanDerWaalsContact CE1-CD 3.48Å; H297-E301 IonicContact CE1-OE1 2.84Å; H297-E301 PolarHBondContact CE1-OE1 3.27Å; H297-E301 VanDerWaalsContact CE1-OE1 3.25Å; H297-E301 IonicContact NE2-OE1 2.81Å; H297-E301 PolarHBondContact NE2-OE1 3.4Å; H297-E301 IonicContact NE2-OE2 3.27Å; H297-E301 WeakPolarHBondContact O-CB 3.42Å; H297-E301 WeakPolarHBondContact O-CG 3.33Å; H297-E301 PolarHBondContact O-N 3.27Å; E301-G303 PolarHBondContact O-N 2.78Å
302A93.8Very high93.6Very high63 Ų6341 Ų4152%0.52125%0.246SC..THydrogen-bonded Turntrans-73.4-0.4173.200000113.8E298 E299 I300 G304E298-A302 VanDerWaalsContact O-CB 3.3Å; E298-A302 WeakPolarHBondContact O-CB 3.36Å; E298-A302 PolarHBondContact O-N 3.08Å; E299-A302 PolarHBondContact O-N 2.75Å; I300-A302 VanDerWaalsContact C-N 3.27Å; I300-A302 PolarHBondContact O-N 3.11Å; A302-G304 VanDerWaalsContact C-N 3.34Å
303G91.6Very high93.6Very high70 Ų7040.9 Ų40.972%0.72225%0.245SC*.THydrogen-bonded Turntrans78.316.5-176.800000114.1E299 I300 E301E299-G303 PolarHBondContact O-N 3.04Å; I300-G303 WeakPolarHBondContact O-CA 3.36Å; I300-G303 PolarHBondContact O-N 2.74Å; E301-G303 PolarHBondContact O-N 2.78Å
304G89.5Confident93.6Very high28 Ų2844.7 Ų44.729%0.28927%0.269SS..  trans-77.5169.8177.700000113.9E299 A302E299-G304 VanDerWaalsContact O-CA 3.28Å; E299-G304 WeakPolarHBondContact O-CA 3.47Å; E299-G304 PolarHBondContact O-N 3.48Å; E299-G304 WeakPolarHBondContact OE1-CA 3.17Å; A302-G304 VanDerWaalsContact C-N 3.34Å
305D89.8Confident93.6Very high94 Ų9447.1 Ų47.150%0.50327%0.273SS..  trans-86.4119.4178.9-178.44000110.7K307 N308D305-K307 PolarHBondContact O-N 2.96Å; D305-K307 WeakPolarHBondContact OD1-CB 3.37Å; D305-K307 PolarHBondContact OD1-N 3.11Å; D305-N308 HydrophobicContact CB-CB 4.19Å; D305-N308 WeakPolarHBondContact O-CB 3.31Å; D305-N308 PolarHBondContact O-N 2.98Å
306A87.9Confident93.6Very high22 Ų2247.1 Ų47.118%0.18227%0.273CS..THydrogen-bonded Turntrans-58.9-12.6175.100000114.2L296 I300 I312L296-A306 HydrophobicContact CD1-CB 3.85Å; I300-A306 HydrophobicContact CD1-CB 4.13Å; I300-A306 HydrophobicContact CG1-CB 4.1Å; A306-I312 WeakPolarHBondContact O-CD1 3.3Å
307K89.3Confident93.5Very high152 Ų15249 Ų4966%0.66128%0.281SS*.THydrogen-bonded Turntrans-97-5175.2-61.5-177.6-179.5178.70113.7D305 G309D305-K307 PolarHBondContact O-N 2.96Å; D305-K307 WeakPolarHBondContact OD1-CB 3.37Å; D305-K307 PolarHBondContact OD1-N 3.11Å; K307-G309 PolarHBondContact O-N 3.02Å; K307-G309 VanDerWaalsContact O-N 3.14Å
308N93.2Very high93.4Very high51 Ų5153 Ų5327%0.27330%0.303SS..  trans-83.591.7-178.6-171.9-11.5000111N67 D305 S310 A311 I312N67-N308 PolarHBondContact ND2-OD1 3.01Å; D305-N308 HydrophobicContact CB-CB 4.19Å; D305-N308 WeakPolarHBondContact O-CB 3.31Å; D305-N308 PolarHBondContact O-N 2.98Å; N308-S310 VanDerWaalsContact C-N 3.34Å; N308-S310 PolarHBondContact O-N 2.95Å; N308-S310 PolarHBondContact OD1-N 2.87Å; N308-S310 PolarHBondContact OD1-OG 3.23Å; N308-A311 HydrophobicContact CB-CB 4.03Å; N308-A311 PolarHBondContact O-N 2.89Å; N308-A311 PolarHBondContact OD1-N 2.99Å; N308-I312 WeakPolarHBondContact O-CG1 3.22Å; N308-I312 PolarHBondContact O-N 3.25Å; N308-I312 VanDerWaalsContact O-N 3.12Å
309G94.4Very high93.2Very high0 Ų053.2 Ų53.20%030%0.302CS..Hα-helixtrans-59.2-40.3-175.200000115N67 K307 I312 I313N67-G309 WeakPolarHBondContact O-CA 3.41Å; N67-G309 PolarHBondContact O-N 3.32Å; N67-G309 PolarHBondContact OD1-N 3.23Å; K307-G309 PolarHBondContact O-N 3.02Å; K307-G309 VanDerWaalsContact O-N 3.14Å; G309-I312 PolarHBondContact O-N 2.92Å; G309-I313 WeakPolarHBondContact O-CB 3.43Å; G309-I313 WeakPolarHBondContact O-CG1 3.43Å; G309-I313 PolarHBondContact O-N 3.27Å
310S95.1Very high93.1Very high36 Ų3660 Ų6025%0.25233%0.327SS..Hα-helixtrans-64.3-39.4177.863.90000112.8N67 N308 I313 T314N67-S310 WeakPolarHBondContact OD1-CB 3.43Å; N67-S310 PolarHBondContact OD1-N 2.98Å; N67-S310 PolarHBondContact OD1-OG 3.34Å; N308-S310 VanDerWaalsContact C-N 3.34Å; N308-S310 PolarHBondContact O-N 2.95Å; N308-S310 PolarHBondContact OD1-N 2.87Å; N308-S310 PolarHBondContact OD1-OG 3.23Å; S310-I313 PolarHBondContact O-N 3.36Å; S310-T314 WeakPolarHBondContact O-CB 3.31Å; S310-T314 PolarHBondContact O-N 2.99Å; S310-T314 PolarHBondContact O-OG1 3.42Å
311A95.3Very high93Very high19 Ų1959.3 Ų59.316%0.15732%0.322CS..Hα-helixtrans-67.6-44.6178.900000110.8E299 N308 I313 T314 R315E299-A311 HydrophobicContact CG-CB 4.37Å; E299-A311 WeakPolarHBondContact OE1-CB 3.45Å; N308-A311 HydrophobicContact CB-CB 4.03Å; N308-A311 PolarHBondContact O-N 2.89Å; N308-A311 PolarHBondContact OD1-N 2.99Å; A311-I313 PolarHBondContact O-N 3.25Å; A311-T314 PolarHBondContact O-N 3.34Å; A311-R315 WeakPolarHBondContact O-CG 3.26Å; A311-R315 PolarHBondContact O-N 3.22Å
312I96.2Very high92.8Very high0 Ų060.6 Ų60.60%033%0.325CS..Hα-helixtrans-59.9-48.3176.2-63160.8000110.5P69 Y292 A295 L296 E299 A306 N308 G309 T314 R315P69-I312 HydrophobicContact CG-CB 4.41Å; P69-I312 HydrophobicContact CG-CD1 3.95Å; P69-I312 HydrophobicContact CG-CG2 4.45Å; Y292-I312 HydrophobicContact CD2-CG2 4.12Å; Y292-I312 HydrophobicContact CE2-CG2 4.08Å; A295-I312 HydrophobicContact CB-CG2 4Å; A295-I312 WeakPolarHBondContact CB-O 3.25Å; L296-I312 HydrophobicContact CB-CG2 4.46Å; L296-I312 HydrophobicContact CD1-CD1 3.72Å; L296-I312 HydrophobicContact CD1-CG1 4.06Å; E299-I312 HydrophobicContact CB-CG1 4.36Å; E299-I312 HydrophobicContact CG-CG1 4.29Å; A306-I312 WeakPolarHBondContact O-CD1 3.3Å; N308-I312 WeakPolarHBondContact O-CG1 3.22Å; N308-I312 PolarHBondContact O-N 3.25Å; N308-I312 VanDerWaalsContact O-N 3.12Å; G309-I312 PolarHBondContact O-N 2.92Å; I312-T314 VanDerWaalsContact C-N 3.34Å; I312-T314 PolarHBondContact O-N 3.45Å; I312-R315 WeakPolarHBondContact O-CB 3.37Å; I312-R315 PolarHBondContact O-N 2.87Å
313I96.1Very high92.4Very high0 Ų057.9 Ų57.90%030%0.302CS..Hα-helixtrans-68.3-34.8-177.5-68.3-77.3000111.6P69 I71 T89 A91 G309 S310 A311 R315 I316 F317P69-I313 HydrophobicContact CB-CD1 3.98Å; P69-I313 HydrophobicContact CB-CG1 3.92Å; I71-I313 HydrophobicContact CD1-CD1 4.46Å; I71-I313 HydrophobicContact CG1-CD1 3.9Å; T89-I313 WeakPolarHBondContact O-CD1 3.47Å; T89-I313 VanDerWaalsContact O-CG1 3.32Å; T89-I313 WeakPolarHBondContact O-CG1 3.39Å; A91-I313 HydrophobicContact CB-CD1 4.18Å; A91-I313 HydrophobicContact CB-CG2 4.3Å; G309-I313 WeakPolarHBondContact O-CB 3.43Å; G309-I313 WeakPolarHBondContact O-CG1 3.43Å; G309-I313 PolarHBondContact O-N 3.27Å; S310-I313 PolarHBondContact O-N 3.36Å; A311-I313 PolarHBondContact O-N 3.25Å; I313-R315 PolarHBondContact O-N 3.4Å; I313-I316 HydrophobicContact CD1-CD1 4.13Å; I313-I316 WeakPolarHBondContact O-CA 3.44Å; I313-I316 VanDerWaalsContact O-CB 3.28Å; I313-I316 WeakPolarHBondContact O-CB 3.01Å; I313-I316 PolarHBondContact O-N 2.93Å; I313-F317 HydrophobicContact CG2-CD1 4.48Å; I313-F317 HydrophobicContact CG2-CE1 3.48Å; I313-F317 VanDerWaalsContact CG2-CE1 3.48Å; I313-F317 HydrophobicContact CG2-CZ 3.64Å; I313-F317 WeakPolarHBondContact O-CD1 3.28Å
314T95.4Very high91.9Very high80 Ų8055.9 Ų55.949%0.49127%0.274SS..Hα-helixtrans-61.8-30.8176.5-58.70000112.1S310 A311 I312 I316 F317S310-T314 WeakPolarHBondContact O-CB 3.31Å; S310-T314 PolarHBondContact O-N 2.99Å; S310-T314 PolarHBondContact O-OG1 3.42Å; A311-T314 PolarHBondContact O-N 3.34Å; I312-T314 VanDerWaalsContact C-N 3.34Å; I312-T314 PolarHBondContact O-N 3.45Å; T314-I316 PolarHBondContact O-N 3.24Å; T314-F317 HydrophobicContact CG2-CD2 4.37Å; T314-F317 PolarHBondContact O-N 3.26Å
315R95.5Very high91.3Very high94 Ų9454.7 Ų54.736%0.35526%0.261SS..THydrogen-bonded Turntrans-67.1-15.8173.6-59.4-96.3-177.5-169.7-1113.2A295 E299 A311 I312 I313 R319A295-R315 HydrophobicContact CB-CB 3.95Å; E299-R315 IonicContact OE2-CZ 2.66Å; E299-R315 VanDerWaalsContact OE2-CZ 3.27Å; E299-R315 IonicContact OE2-NE 3.55Å; E299-R315 PolarHBondContact OE2-NE 2.92Å; E299-R315 IonicContact OE2-NH2 3.85Å; E299-R315 PolarHBondContact OE2-NH2 3.3Å; A311-R315 WeakPolarHBondContact O-CG 3.26Å; A311-R315 PolarHBondContact O-N 3.22Å; I312-R315 WeakPolarHBondContact O-CB 3.37Å; I312-R315 PolarHBondContact O-N 2.87Å; I313-R315 PolarHBondContact O-N 3.4Å; R315-R319 PolarHBondContact O-NH1 3.05Å; R315-R319 VanDerWaalsContact O-NH1 3.09Å
316I95.8Very high90.7Very high1 Ų152.9 Ų52.91%0.00527%0.265CS..THydrogen-bonded Turntrans-88-22177.6-56.1178.9000111I71 L291 A295 I313 T314 R319 I331I71-I316 HydrophobicContact CD1-CD1 3.54Å; I71-I316 HydrophobicContact CG1-CD1 4.38Å; L291-I316 HydrophobicContact CB-CD1 4.42Å; L291-I316 HydrophobicContact CD1-CG2 4.43Å; L291-I316 HydrophobicContact CD2-CG2 4.44Å; A295-I316 HydrophobicContact CB-CD1 4.06Å; A295-I316 HydrophobicContact CB-CG1 3.56Å; I313-I316 HydrophobicContact CD1-CD1 4.13Å; I313-I316 WeakPolarHBondContact O-CA 3.44Å; I313-I316 VanDerWaalsContact O-CB 3.28Å; I313-I316 WeakPolarHBondContact O-CB 3.01Å; I313-I316 PolarHBondContact O-N 2.93Å; T314-I316 PolarHBondContact O-N 3.24Å; I316-R319 VanDerWaalsContact O-CB 3.29Å; I316-R319 WeakPolarHBondContact O-CB 3.44Å; I316-I331 HydrophobicContact CG2-CB 4.36Å; I316-I331 HydrophobicContact CG2-CG1 4.04Å; I316-I331 HydrophobicContact CG2-CG2 4.16Å; I316-I331 WeakPolarHBondContact O-CB 3.44Å
317F94Very high90.2Very high39 Ų3954.6 Ų54.617%0.17127%0.269CS..THydrogen-bonded Turntrans-68.7146.3-178.3-59.5-13.5000111.7K84 I313 T314 R319 E333 G335K84-F317 HydrophobicContact CD-CZ 4Å; K84-F317 HydrophobicContact CG-CE2 4.46Å; K84-F317 HydrophobicContact CG-CZ 4.31Å; I313-F317 HydrophobicContact CG2-CD1 4.48Å; I313-F317 HydrophobicContact CG2-CE1 3.48Å; I313-F317 VanDerWaalsContact CG2-CE1 3.48Å; I313-F317 HydrophobicContact CG2-CZ 3.64Å; I313-F317 WeakPolarHBondContact O-CD1 3.28Å; T314-F317 HydrophobicContact CG2-CD2 4.37Å; T314-F317 PolarHBondContact O-N 3.26Å; F317-R319 PolarHBondContact O-N 3.42Å; F317-E333 WeakPolarHBondContact CD2-O 3.41Å; F317-G335 VanDerWaalsContact CD1-CA 3.45Å; F317-G335 VanDerWaalsContact CE1-CA 3.4Å
318N91.9Very high90Very high109 Ų10953.6 Ų53.658%0.58327%0.266SS*.THydrogen-bonded Turntrans52.737.9-178.8-61.7-38.5000113.5I331 N332 E333N318-I331 CarbonylContact C-O 3.23Å; N318-I331 WeakPolarHBondContact CA-O 3.29Å; N318-I331 PolarHBondContact N-O 2.91Å; N318-N332 PolarHBondContact N-O 3.04Å; N318-E333 WeakPolarHBondContact OD1-CA 3.32Å; N318-E333 PolarHBondContact OD1-N 3.2Å
319R91.8Very high89.7Confident55 Ų5551.4 Ų51.421%0.20826%0.255CS..EExtended strand (participates in β ladder)trans-113.5133.2-176.9171.9169.7-93.7159.81.6111.1E298 R315 I316 F317 E330 I331E298-R319 IonicContact OE1-CZ 2.62Å; E298-R319 IonicContact OE1-NH1 2.76Å; E298-R319 IonicContact OE1-NH2 3.4Å; E298-R319 PolarHBondContact OE1-NH2 3.29Å; E298-R319 IonicContact OE2-CZ 3.35Å; E298-R319 VanDerWaalsContact OE2-CZ 3.25Å; E298-R319 IonicContact OE2-NH1 2.77Å; E298-R319 PolarHBondContact OE2-NH1 2.73Å; E298-R319 IonicContact OE2-NH2 3.73Å; E298-R319 PolarHBondContact OE2-NH2 2.86Å; R315-R319 PolarHBondContact O-NH1 3.05Å; R315-R319 VanDerWaalsContact O-NH1 3.09Å; I316-R319 VanDerWaalsContact O-CB 3.29Å; I316-R319 WeakPolarHBondContact O-CB 3.44Å; F317-R319 PolarHBondContact O-N 3.42Å; R319-E330 WeakPolarHBondContact O-CA 3.45Å; R319-I331 PolarHBondContact N-O 2.85Å; R319-I331 VanDerWaalsContact N-O 3.13Å; R319-I331 PolarHBondContact O-N 2.95Å
320R91.8Very high89.5Confident164 Ų16453.5 Ų53.562%0.61926%0.264SS*.EExtended strand (participates in β ladder)trans-92140.9163.1-67.3-177.2178.8-175-1.6111M329 E330R320-M329 CarbonylContact C-O 3.51Å; R320-M329 VanDerWaalsContact CA-O 3.25Å; R320-M329 WeakPolarHBondContact CA-O 3.39Å; R320-E330 HydrophobicContact CG-CB 4.08Å; R320-E330 HydrophobicContact CG-CG 4.04Å; R320-E330 IonicContact CZ-OE2 3.4Å; R320-E330 IonicContact NE-OE2 3.3Å; R320-E330 PolarHBondContact NE-OE2 3.09Å; R320-E330 IonicContact NH2-OE2 2.73Å; R320-E330 PolarHBondContact NH2-OE2 2.68Å
321Y92Very high89.3Confident27 Ų2751.9 Ų51.911%0.10625%0.253CS..EExtended strand (participates in β ladder)trans-144150.3176.671-84.6000111.2D287 L291 S323 E328 M329 I331D287-Y321 HydrophobicContact CB-CE2 3.69Å; L291-Y321 HydrophobicContact CD1-CD1 4.04Å; L291-Y321 HydrophobicContact CD1-CE1 3.74Å; L291-Y321 HydrophobicContact CD1-CE2 4.35Å; L291-Y321 HydrophobicContact CD1-CG 4.44Å; L291-Y321 HydrophobicContact CD2-CD1 3.8Å; L291-Y321 HydrophobicContact CD2-CD2 4.47Å; L291-Y321 HydrophobicContact CD2-CE1 4.38Å; L291-Y321 HydrophobicContact CD2-CG 3.84Å; L291-Y321 HydrophobicContact CG-CD1 4.31Å; L291-Y321 HydrophobicContact CG-CD2 4.49Å; L291-Y321 HydrophobicContact CG-CE1 4.47Å; L291-Y321 HydrophobicContact CG-CG 4.31Å; Y321-S323 PolarHBondContact O-N 3.48Å; Y321-E328 CarbonylContact O-C 3.55Å; Y321-E328 WeakPolarHBondContact O-CA 3.31Å; Y321-M329 HydrophobicContact CD1-CB 4.12Å; Y321-M329 HydrophobicContact CE1-CB 3.51Å; Y321-M329 HydrophobicContact CE2-CB 4.02Å; Y321-M329 HydrophobicContact CE2-CG 4.49Å; Y321-M329 VanDerWaalsContact CZ-CB 3.47Å; Y321-M329 PolarHBondContact N-O 3.26Å; Y321-M329 PolarHBondContact O-N 2.8Å; Y321-I331 HydrophobicContact CD1-CG1 4.35Å; Y321-I331 HydrophobicContact CE1-CD1 3.89Å; Y321-I331 HydrophobicContact CE1-CG1 3.95Å
322K88.1Confident88.9Confident169 Ų16952 Ų5274%0.73525%0.251SS*.EExtended strand (participates in β ladder)trans-80.8108.8175.1-170.2172.7-176.3176.90109.5
323S86.3Confident88.6Confident5 Ų558.1 Ų58.14%0.03528%0.28CS..  trans-72.4150.7179.6175.60000111.4D287 Y321 Q325 G326 F327D287-S323 VanDerWaalsContact OD2-CB 3.3Å; D287-S323 WeakPolarHBondContact OD2-CB 3.31Å; D287-S323 PolarHBondContact OD2-OG 3.33Å; Y321-S323 PolarHBondContact O-N 3.48Å; S323-Q325 PolarHBondContact O-N 3.28Å; S323-Q325 WeakPolarHBondContact OG-CB 3.1Å; S323-Q325 WeakPolarHBondContact OG-CG 3.05Å; S323-Q325 PolarHBondContact OG-N 2.72Å; S323-Q325 VanDerWaalsContact OG-N 3.14Å; S323-Q325 PolarHBondContact OG-NE2 3.4Å; S323-G326 PolarHBondContact O-N 3.33Å; S323-F327 WeakPolarHBondContact CB-O 3.24Å; S323-F327 PolarHBondContact N-O 2.88Å
324M81.4Confident88.2Confident28 Ų2861.1 Ų61.114%0.13830%0.295CS..THydrogen-bonded Turntrans-57.8-16.2168.5-167.1174.1-170.700113.1Y3 W258 T261 Y286 D287 G326Y3-M324 HydrophobicContact CD1-CE 4.37Å; Y3-M324 HydrophobicContact CE1-CE 4.17Å; W258-M324 HydrophobicContact CD2-CE 3.99Å; W258-M324 HydrophobicContact CE3-CE 4.18Å; W258-M324 HydrophobicContact CH2-CE 3.99Å; W258-M324 HydrophobicContact CH2-CG 4.42Å; W258-M324 HydrophobicContact CH2-SD 3.83Å; W258-M324 HydrophobicContact CZ2-CE 3.77Å; W258-M324 HydrophobicContact CZ2-CG 3.67Å; W258-M324 HydrophobicContact CZ2-SD 3.66Å; W258-M324 HydrophobicContact CZ3-CE 4.18Å; T261-M324 HydrophobicContact CG2-CE 3.63Å; Y286-M324 HydrophobicContact CD1-CB 3.74Å; Y286-M324 HydrophobicContact CD1-CG 4.23Å; Y286-M324 HydrophobicContact CD1-SD 3.89Å; Y286-M324 HydrophobicContact CD2-SD 3.75Å; Y286-M324 HydrophobicContact CE1-CB 4.27Å; Y286-M324 HydrophobicContact CE1-SD 4.49Å; Y286-M324 HydrophobicContact CE2-SD 4.38Å; Y286-M324 HydrophobicContact CG-CB 4.26Å; Y286-M324 HydrophobicContact CG-CG 4.41Å; Y286-M324 HydrophobicContact CG-SD 3.49Å; D287-M324 PolarHBondContact OD1-N 3.13Å; M324-G326 PolarHBondContact O-N 3.1Å
325Q77Confident88Confident3 Ų357.3 Ų57.31%0.01427%0.272CS..THydrogen-bonded Turntrans-70-12.2173.2-59.8172.695.500113.9V251 F253 Y284 S323 F327V251-Q325 HydrophobicContact CB-CB 4.39Å; V251-Q325 HydrophobicContact CG1-CB 4.28Å; F253-Q325 HydrophobicContact CE1-CG 4.49Å; Y284-Q325 PolarHBondContact OH-OE1 3.14Å; S323-Q325 PolarHBondContact O-N 3.28Å; S323-Q325 WeakPolarHBondContact OG-CB 3.1Å; S323-Q325 WeakPolarHBondContact OG-CG 3.05Å; S323-Q325 PolarHBondContact OG-N 2.72Å; S323-Q325 VanDerWaalsContact OG-N 3.14Å; S323-Q325 PolarHBondContact OG-NE2 3.4Å; Q325-F327 HydrophobicContact CB-CD1 4.04Å; Q325-F327 HydrophobicContact CB-CE1 3.37Å; Q325-F327 HydrophobicContact CB-CZ 3.75Å; Q325-F327 HydrophobicContact CG-CE1 4.41Å; Q325-F327 HydrophobicContact CG-CZ 4.41Å
326G76.1Confident87.6Confident57 Ų5753.2 Ų53.259%0.58826%0.257SS*.SBendtrans99.74.917400000115.6S323 M324S323-G326 PolarHBondContact O-N 3.33Å; M324-G326 PolarHBondContact O-N 3.1Å
327F77.8Confident87.3Confident57 Ų5753.1 Ų53.125%0.2526%0.257CS..SBendtrans-135.4169.4176.454.1-88.6000111.2V251 S323 Q325 M329V251-F327 HydrophobicContact CB-CE1 4.12Å; V251-F327 HydrophobicContact CG1-CE1 3.42Å; V251-F327 VanDerWaalsContact CG1-CE1 3.42Å; V251-F327 HydrophobicContact CG1-CZ 3.81Å; S323-F327 WeakPolarHBondContact CB-O 3.24Å; S323-F327 PolarHBondContact N-O 2.88Å; Q325-F327 HydrophobicContact CB-CD1 4.04Å; Q325-F327 HydrophobicContact CB-CE1 3.37Å; Q325-F327 HydrophobicContact CB-CZ 3.75Å; Q325-F327 HydrophobicContact CG-CE1 4.41Å; Q325-F327 HydrophobicContact CG-CZ 4.41Å; F327-M329 HydrophobicContact CD2-CE 4.46Å; F327-M329 HydrophobicContact CD2-CG 4.29Å; F327-M329 HydrophobicContact CD2-SD 4.48Å; F327-M329 HydrophobicContact CE2-CE 3.91Å; F327-M329 HydrophobicContact CE2-CG 3.92Å; F327-M329 HydrophobicContact CE2-SD 3.65Å; F327-M329 HydrophobicContact CZ-SD 4.44Å
328E84.6Confident86.8Confident131 Ų13152.2 Ų52.261%0.61225%0.253SS*.EExtended strand (participates in β ladder)trans-78.1135.2176.7-65.9-172.5138.500111.1Y321Y321-E328 CarbonylContact O-C 3.55Å; Y321-E328 WeakPolarHBondContact O-CA 3.31Å
329M87.3Confident86.2Confident6 Ų647.7 Ų47.73%0.0323%0.232CC..EExtended strand (participates in β ladder)trans-115.5151.5172.1-70.3-91.156.900109.4R320 Y321 F327 E338R320-M329 CarbonylContact C-O 3.51Å; R320-M329 VanDerWaalsContact CA-O 3.25Å; R320-M329 WeakPolarHBondContact CA-O 3.39Å; Y321-M329 HydrophobicContact CD1-CB 4.12Å; Y321-M329 HydrophobicContact CE1-CB 3.51Å; Y321-M329 HydrophobicContact CE2-CB 4.02Å; Y321-M329 HydrophobicContact CE2-CG 4.49Å; Y321-M329 VanDerWaalsContact CZ-CB 3.47Å; Y321-M329 PolarHBondContact N-O 3.26Å; Y321-M329 PolarHBondContact O-N 2.8Å; F327-M329 HydrophobicContact CD2-CE 4.46Å; F327-M329 HydrophobicContact CD2-CG 4.29Å; F327-M329 HydrophobicContact CD2-SD 4.48Å; F327-M329 HydrophobicContact CE2-CE 3.91Å; F327-M329 HydrophobicContact CE2-CG 3.92Å; F327-M329 HydrophobicContact CE2-SD 3.65Å; F327-M329 HydrophobicContact CZ-SD 4.44Å; M329-E338 WeakPolarHBondContact CE-O 3.27Å
330E89.9Confident85.8Confident44 Ų4447.9 Ų47.921%0.20624%0.237CC..EExtended strand (participates in β ladder)trans-119138178.6-174.3162.4170.700109.9R319 R320 A337 E338R319-E330 WeakPolarHBondContact O-CA 3.45Å; R320-E330 HydrophobicContact CG-CB 4.08Å; R320-E330 HydrophobicContact CG-CG 4.04Å; R320-E330 IonicContact CZ-OE2 3.4Å; R320-E330 IonicContact NE-OE2 3.3Å; R320-E330 PolarHBondContact NE-OE2 3.09Å; R320-E330 IonicContact NH2-OE2 2.73Å; R320-E330 PolarHBondContact NH2-OE2 2.68Å; E330-A337 CarbonylContact O-C 3.54Å; E330-A337 WeakPolarHBondContact O-CA 3.23Å; E330-E338 HydrophobicContact CB-CB 4.4Å; E330-E338 PolarHBondContact O-N 3.29Å
331I91Very high85.6Confident1 Ų140.4 Ų40.41%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-106.2124.8167.2-54.2-58.9000107.6L291 I316 N318 R319 Y321 G335 D336 A337L291-I331 HydrophobicContact CD1-CG1 4.4Å; I316-I331 HydrophobicContact CG2-CB 4.36Å; I316-I331 HydrophobicContact CG2-CG1 4.04Å; I316-I331 HydrophobicContact CG2-CG2 4.16Å; I316-I331 WeakPolarHBondContact O-CB 3.44Å; N318-I331 CarbonylContact C-O 3.23Å; N318-I331 WeakPolarHBondContact CA-O 3.29Å; N318-I331 PolarHBondContact N-O 2.91Å; R319-I331 PolarHBondContact N-O 2.85Å; R319-I331 VanDerWaalsContact N-O 3.13Å; R319-I331 PolarHBondContact O-N 2.95Å; Y321-I331 HydrophobicContact CD1-CG1 4.35Å; Y321-I331 HydrophobicContact CE1-CD1 3.89Å; Y321-I331 HydrophobicContact CE1-CG1 3.95Å; I331-G335 VanDerWaalsContact CG2-C 3.47Å; I331-D336 WeakPolarHBondContact CA-O 3.16Å; I331-A337 HydrophobicContact CD1-CB 3.67Å
332N88.1Confident85.4Confident23 Ų2339.1 Ų39.112%0.12320%0.204CC..  trans-78.3-175.2-177.870.918.9000113.2N318 N334 G335 D336 E338N318-N332 PolarHBondContact N-O 3.04Å; N332-N334 PolarHBondContact O-N 2.96Å; N332-N334 VanDerWaalsContact OD1-C 3.3Å; N332-N334 WeakPolarHBondContact OD1-CA 3.41Å; N332-N334 PolarHBondContact OD1-N 3.25Å; N332-G335 PolarHBondContact O-N 3.09Å; N332-G335 VanDerWaalsContact O-N 3.08Å; N332-G335 PolarHBondContact OD1-N 3.41Å; N332-D336 PolarHBondContact N-O 3.24Å; N332-D336 PolarHBondContact OD1-N 3.48Å; N332-D336 PolarHBondContact OD1-O 3.2Å; N332-E338 HydrophobicContact CB-CG 4.26Å; N332-E338 WeakPolarHBondContact CB-OE1 3.38Å; N332-E338 PolarHBondContact ND2-OE1 2.89Å
333E88.6Confident85.4Confident128 Ų12831 Ų3160%0.59817%0.169SC*.THydrogen-bonded Turntrans-63.5-21.5179.860.6-178.5-161.100114.1F317 N318F317-E333 WeakPolarHBondContact CD2-O 3.41Å; N318-E333 WeakPolarHBondContact OD1-CA 3.32Å; N318-E333 PolarHBondContact OD1-N 3.2Å
334N88.6Confident85.4Confident62 Ų6230.8 Ų30.833%0.33217%0.167SC..THydrogen-bonded Turntrans-98.219.6176.8-62.3-45.4000111.9K84 N332 D336K84-N334 WeakPolarHBondContact CE-O 3.21Å; K84-N334 PolarHBondContact NZ-O 3.34Å; N332-N334 PolarHBondContact O-N 2.96Å; N332-N334 VanDerWaalsContact OD1-C 3.3Å; N332-N334 WeakPolarHBondContact OD1-CA 3.41Å; N332-N334 PolarHBondContact OD1-N 3.25Å; N334-D336 PolarHBondContact O-N 3.43Å; N334-D336 VanDerWaalsContact O-N 3.11Å
335G90Very high85.6Confident0 Ų029.5 Ų29.50%016%0.161CC..SBendtrans63.619176.500000114.2A91 R92 F317 I331 N332A91-G335 CarbonylContact C-O 3.58Å; A91-G335 WeakPolarHBondContact CA-O 3.35Å; R92-G335 PolarHBondContact N-O 3.25Å; F317-G335 VanDerWaalsContact CD1-CA 3.45Å; F317-G335 VanDerWaalsContact CE1-CA 3.4Å; I331-G335 VanDerWaalsContact CG2-C 3.47Å; N332-G335 PolarHBondContact O-N 3.09Å; N332-G335 VanDerWaalsContact O-N 3.08Å; N332-G335 PolarHBondContact OD1-N 3.41Å
336D88Confident85.9Confident8 Ų830.5 Ų30.54%0.04317%0.165CC..BIsolated β-bridgetrans-101133.6179.3-63.9-35.2000109.9S82 R92 I331 N332 N334 E338S82-D336 WeakPolarHBondContact CB-OD2 3.42Å; S82-D336 PolarHBondContact OG-OD1 3.49Å; S82-D336 PolarHBondContact OG-OD2 2.88Å; R92-D336 IonicContact CZ-OD1 3.75Å; R92-D336 IonicContact CZ-OD2 3Å; R92-D336 IonicContact NE-OD1 3.71Å; R92-D336 PolarHBondContact NE-OD1 3.07Å; R92-D336 IonicContact NH2-OD1 2.73Å; R92-D336 PolarHBondContact NH2-OD1 3.45Å; R92-D336 IonicContact NH2-OD2 2.61Å; R92-D336 PolarHBondContact NH2-OD2 3.3Å; I331-D336 WeakPolarHBondContact CA-O 3.16Å; N332-D336 PolarHBondContact N-O 3.24Å; N332-D336 PolarHBondContact OD1-N 3.48Å; N332-D336 PolarHBondContact OD1-O 3.2Å; N334-D336 PolarHBondContact O-N 3.43Å; N334-D336 VanDerWaalsContact O-N 3.11Å; D336-E338 PolarHBondContact O-N 2.97Å
337A88.7Confident86.3Confident0 Ų028.6 Ų28.60%014%0.141CC..BIsolated β-bridgetrans-65.4132.3171.200000110.6R92 T93 P95 Q99 E330 I331R92-A337 WeakPolarHBondContact O-CB 3.47Å; R92-A337 PolarHBondContact O-N 3.43Å; T93-A337 WeakPolarHBondContact O-CB 3.42Å; P95-A337 VanDerWaalsContact CA-O 3.24Å; P95-A337 WeakPolarHBondContact CA-O 3.5Å; P95-A337 VanDerWaalsContact CB-O 3.31Å; P95-A337 WeakPolarHBondContact CB-O 3.46Å; P95-A337 HydrophobicContact CG-CB 4.12Å; Q99-A337 PolarHBondContact NE2-O 2.76Å; Q99-A337 VanDerWaalsContact NE2-O 3.07Å; Q99-A337 PolarHBondContact OE1-O 3.06Å; Q99-A337 VanDerWaalsContact OE1-O 3.07Å; E330-A337 CarbonylContact O-C 3.54Å; E330-A337 WeakPolarHBondContact O-CA 3.23Å; I331-A337 HydrophobicContact CD1-CB 3.67Å
338E84.4Confident86.4Confident19 Ų1929.2 Ų29.29%0.08915%0.15CC..PPolyproline II helixtrans-78.9125.7171.1-68.3-63.5145.900110.1Q99 R102 M329 E330 N332 D336Q99-E338 VanDerWaalsContact NE2-CD 3.32Å; Q99-E338 PolarHBondContact NE2-OE1 2.92Å; Q99-E338 PolarHBondContact NE2-OE2 3.35Å; R102-E338 IonicContact NH1-OE1 2.79Å; R102-E338 IonicContact NH1-OE2 3.41Å; R102-E338 PolarHBondContact NH1-OE2 3.24Å; M329-E338 WeakPolarHBondContact CE-O 3.27Å; E330-E338 HydrophobicContact CB-CB 4.4Å; E330-E338 PolarHBondContact O-N 3.29Å; N332-E338 HydrophobicContact CB-CG 4.26Å; N332-E338 WeakPolarHBondContact CB-OE1 3.38Å; N332-E338 PolarHBondContact ND2-OE1 2.89Å; D336-E338 PolarHBondContact O-N 2.97Å
339G79.8Confident85.8Confident14 Ų1425.1 Ų25.114%0.14413%0.132CC..PPolyproline II helixtrans-90.8126.5-172.800000112.6F341G339-F341 WeakPolarHBondContact O-CD2 3.35Å; G339-F341 WeakPolarHBondContact O-CE2 3.38Å
340N82.7Confident84.6Confident59 Ų5932.4 Ų32.432%0.31617%0.171SC..PPolyproline II helixtrans-79.7124.8167.3-67.6-35.8000109.5S249S249-N340 PolarHBondContact N-O 2.9Å; S249-N340 VanDerWaalsContact OG-C 3.32Å; S249-N340 PolarHBondContact OG-O 3.31Å
341F87.1Confident83.2Confident7 Ų738 Ų383%0.03120%0.202CC..EExtended strand (participates in β ladder)trans-116.7152.3177.8-58.6-77.6000111.8Q99 I100 A103 Y217 I246 I247 P248 S249 G339 F366Q99-F341 HydrophobicContact CB-CE2 3.92Å; Q99-F341 HydrophobicContact CB-CZ 3.97Å; I100-F341 HydrophobicContact CB-CD1 4.25Å; I100-F341 HydrophobicContact CB-CE1 3.65Å; I100-F341 HydrophobicContact CB-CZ 3.86Å; I100-F341 HydrophobicContact CD1-CD1 4.11Å; I100-F341 HydrophobicContact CD1-CE1 4.02Å; I100-F341 HydrophobicContact CG1-CD1 3.75Å; I100-F341 HydrophobicContact CG1-CE1 3.64Å; I100-F341 HydrophobicContact CG1-CG 4.46Å; I100-F341 HydrophobicContact CG1-CZ 4.28Å; A103-F341 HydrophobicContact CB-CB 4.11Å; A103-F341 HydrophobicContact CB-CD2 4Å; A103-F341 HydrophobicContact CB-CG 4.16Å; Y217-F341 VanDerWaalsContact OH-CE1 3.3Å; Y217-F341 WeakPolarHBondContact OH-CE1 3.06Å; Y217-F341 WeakPolarHBondContact OH-CZ 2.8Å; I246-F341 HydrophobicContact CG2-CB 3.97Å; I246-F341 HydrophobicContact CG2-CD1 4.41Å; I246-F341 HydrophobicContact CG2-CG 4.4Å; I247-F341 CarbonylContact O-C 3.45Å; I247-F341 WeakPolarHBondContact O-CA 3.3Å; P248-F341 HydrophobicContact CG-CE1 4.49Å; S249-F341 PolarHBondContact OG-N 3.39Å; S249-F341 PolarHBondContact OG-O 3.33Å; G339-F341 WeakPolarHBondContact O-CD2 3.35Å; G339-F341 WeakPolarHBondContact O-CE2 3.38Å; F341-F366 HydrophobicContact CB-CB 4.17Å; F341-F366 HydrophobicContact CB-CD2 3.68Å; F341-F366 HydrophobicContact CB-CE2 4.49Å; F341-F366 HydrophobicContact CB-CG 4.24Å; F341-F366 PolarHBondContact O-N 3.34Å
342T87.3Confident81.9Confident0 Ų038.9 Ų38.90%021%0.208CC..EExtended strand (participates in β ladder)trans-126.1134.8178.4-690000109I246 I247 S249 L344 P362 A364 Y365I246-T342 WeakPolarHBondContact CA-O 3.33Å; I247-T342 PolarHBondContact N-O 3.16Å; I247-T342 PolarHBondContact O-N 3.36Å; S249-T342 WeakPolarHBondContact CA-OG1 3.35Å; S249-T342 WeakPolarHBondContact CB-OG1 3.26Å; S249-T342 PolarHBondContact OG-OG1 3.02Å; T342-L344 HydrophobicContact CG2-CD1 4.45Å; T342-P362 HydrophobicContact CG2-CB 3.72Å; T342-P362 HydrophobicContact CG2-CG 4.45Å; T342-A364 WeakPolarHBondContact CA-O 3.35Å; T342-Y365 HydrophobicContact CG2-CD1 4.5Å; T342-Y365 HydrophobicContact CG2-CE1 4.4Å; T342-Y365 WeakPolarHBondContact OG1-CD1 3.42Å
343L89.8Confident80.6Confident0 Ų045.3 Ų45.30%024%0.243CC..EExtended strand (participates in β ladder)trans-89124.4170.4-178.467000109.3L107 L244 I246 T345 S363 A364 F366 L376 F378L107-L343 HydrophobicContact CD1-CD1 4.29Å; L107-L343 HydrophobicContact CD1-CD2 3.79Å; L107-L343 HydrophobicContact CD2-CD1 3.82Å; L244-L343 HydrophobicContact CB-CD1 4.24Å; I246-L343 HydrophobicContact CG1-CD1 4Å; L343-T345 HydrophobicContact CD2-CG2 3.74Å; L343-T345 HydrophobicContact CG-CG2 3.69Å; L343-S363 PolarHBondContact O-N 3.03Å; L343-A364 HydrophobicContact CB-CB 4.01Å; L343-A364 HydrophobicContact CD2-CB 4.2Å; L343-A364 PolarHBondContact N-O 3.48Å; L343-A364 PolarHBondContact O-N 3.17Å; L343-F366 HydrophobicContact CB-CE2 3.94Å; L343-F366 HydrophobicContact CB-CZ 4.39Å; L343-L376 HydrophobicContact CD2-CD1 4.31Å; L343-F378 HydrophobicContact CD2-CE1 4.23Å; L343-F378 HydrophobicContact CD2-CZ 4.03Å
344L85.9Confident79.3Confident0 Ų043 Ų430%023%0.231CC..EExtended strand (participates in β ladder)trans-99.1134.5167.7-61.385.7000109.2M226 A245 I247 T342 L360 I361 P362M226-L344 HydrophobicContact CG-CD2 4.15Å; A245-L344 HydrophobicContact CB-CB 4.34Å; A245-L344 PolarHBondContact N-O 3.32Å; A245-L344 VanDerWaalsContact N-O 3.1Å; A245-L344 PolarHBondContact O-N 2.99Å; I247-L344 HydrophobicContact CB-CD1 4.16Å; I247-L344 HydrophobicContact CD1-CD1 3.45Å; I247-L344 VanDerWaalsContact CD1-CD1 3.45Å; I247-L344 HydrophobicContact CD1-CD2 4.29Å; I247-L344 HydrophobicContact CD1-CG 4.47Å; I247-L344 HydrophobicContact CG1-CD1 3.42Å; I247-L344 VanDerWaalsContact CG1-CD1 3.42Å; I247-L344 HydrophobicContact CG2-CD1 3.76Å; T342-L344 HydrophobicContact CG2-CD1 4.45Å; L344-L360 HydrophobicContact CB-CB 4.02Å; L344-L360 HydrophobicContact CD2-CB 4.4Å; L344-L360 WeakPolarHBondContact CD2-O 3.23Å; L344-I361 VanDerWaalsContact CA-O 3.3Å; L344-I361 WeakPolarHBondContact CA-O 3.47Å; L344-P362 HydrophobicContact CD2-CG 4.36Å; L344-P362 HydrophobicContact CG-CG 4.35Å
345T86.1Confident78.3Confident0 Ų047.6 Ų47.60%026%0.255CS..EExtended strand (participates in β ladder)trans-133.8154-175.472.20000109.1L244 L343 Q347 L360 I361 S363 V384L244-T345 HydrophobicContact CD2-CG2 4.03Å; L343-T345 HydrophobicContact CD2-CG2 3.74Å; L343-T345 HydrophobicContact CG-CG2 3.69Å; T345-Q347 PolarHBondContact O-N 2.98Å; T345-Q347 PolarHBondContact OG1-NE2 3.21Å; T345-L360 CarbonylContact O-C 3.47Å; T345-L360 WeakPolarHBondContact O-CA 3.38Å; T345-I361 PolarHBondContact N-O 3.24Å; T345-I361 PolarHBondContact O-N 3Å; T345-S363 WeakPolarHBondContact OG1-CB 3.47Å; T345-S363 PolarHBondContact OG1-OG 3.49Å; T345-V384 HydrophobicContact CG2-CG2 3.65Å
346R83Confident77.2Confident24 Ų2448.4 Ų48.49%0.09126%0.26CS..EExtended strand (participates in β ladder)trans-57.8129.5172.8-179.4171.1168.4-88.6-3.4110E239 D240 Y358 D385E239-R346 PolarHBondContact O-NE 3.27Å; D240-R346 IonicContact OD1-NH2 3.53Å; R346-Y358 HydrophobicContact CG-CD1 3.92Å; R346-Y358 HydrophobicContact CG-CG 4.45Å; R346-D385 IonicContact CZ-OD2 3.33Å; R346-D385 PolarHBondContact NH1-O 3.4Å; R346-D385 IonicContact NH1-OD2 3.1Å; R346-D385 PolarHBondContact NH1-OD2 2.85Å; R346-D385 IonicContact NH2-OD2 3.65Å; R346-D385 WeakPolarHBondContact O-CB 3.05Å
347Q83Confident76.5Confident18 Ų1850.7 Ų50.78%0.08428%0.276CS..EExtended strand (participates in β ladder)trans-145.1150176.8-64-59.9-44.500110.2T345 Y358 G359 I361 S363 L382 Q383T345-Q347 PolarHBondContact O-N 2.98Å; T345-Q347 PolarHBondContact OG1-NE2 3.21Å; Q347-Y358 VanDerWaalsContact C-CD1 3.48Å; Q347-Y358 VanDerWaalsContact O-CA 3.32Å; Q347-Y358 WeakPolarHBondContact O-CA 3.31Å; Q347-Y358 WeakPolarHBondContact O-CD1 3.25Å; Q347-G359 PolarHBondContact N-O 2.88Å; Q347-G359 PolarHBondContact O-N 2.95Å; Q347-I361 HydrophobicContact CB-CB 4Å; Q347-I361 HydrophobicContact CB-CD1 3.56Å; Q347-I361 HydrophobicContact CB-CG1 3.81Å; Q347-I361 HydrophobicContact CG-CB 3.75Å; Q347-I361 HydrophobicContact CG-CD1 4.19Å; Q347-I361 HydrophobicContact CG-CG1 4.16Å; Q347-S363 PolarHBondContact NE2-OG 2Å; Q347-L382 HydrophobicContact CG-CD2 4.28Å; Q347-Q383 PolarHBondContact NE2-O 3.17Å
348P79.9Confident75.9Confident70 Ų7053.9 Ų53.946%0.45529%0.289SS..EExtended strand (participates in β ladder)trans-66.6145.8173.227.1-33.3000111.8S357 Y358P348-S357 CarbonylContact C-O 3.54Å; P348-S357 WeakPolarHBondContact CA-O 3.4Å; P348-Y358 HydrophobicContact CB-CD1 4.3Å; P348-Y358 HydrophobicContact CB-CE1 3.93Å; P348-Y358 HydrophobicContact CG-CE1 4.49Å
349M73.1Confident75.4Confident45 Ų4553.2 Ų53.222%0.22229%0.287CS..  trans-127.792.4-178.4-66.4-167.880.400111.8Y231 N351 S357 I361Y231-M349 HydrophobicContact CE1-SD 4.41Å; Y231-M349 WeakPolarHBondContact OH-CE 3.28Å; Y231-M349 PolarHBondContact OH-SD 3.47Å; M349-N351 PolarHBondContact O-N 3.28Å; M349-N351 VanDerWaalsContact O-N 3.09Å; M349-S357 PolarHBondContact N-O 2.89Å; M349-I361 HydrophobicContact CG-CD1 4.16Å
350D61.7Low75.3Confident159 Ų15953.1 Ų53.185%0.8528%0.283SS*.THydrogen-bonded Turntrans-70.1-6.2-175.1-75.9-25.3000115.4
351N61Low75.1Confident161 Ų16152.6 Ų52.686%0.86128%0.28SS*.THydrogen-bonded Turntrans-15561.5-179.8-84.2-47.5000112M349M349-N351 PolarHBondContact O-N 3.28Å; M349-N351 VanDerWaalsContact O-N 3.09Å
352S63.5Low74.9Confident20 Ų2053 Ų5314%0.1428%0.282CS..  trans-80.6135.9173.969.40000111.1F354 N355 L356S352-F354 PolarHBondContact O-N 3.4Å; S352-N355 PolarHBondContact O-N 3.04Å; S352-N355 PolarHBondContact OG-N 3.42Å; S352-L356 WeakPolarHBondContact OG-CA 3.48Å; S352-L356 PolarHBondContact OG-N 2.56Å; S352-L356 PolarHBondContact OG-O 3.01Å
353N61.2Low74.8Confident157 Ų15753 Ų5384%0.8428%0.282SS*.THydrogen-bonded Turntrans-651.9170.5-72.6-29000113.2
354F61.1Low74.9Confident81 Ų8153 Ų5336%0.35528%0.282SS..THydrogen-bonded Turntrans-120.96.8-170.2-61.4-72.1000113.7M227 Y231 S352 L356M227-F354 HydrophobicContact CE-CE2 3.26Å; M227-F354 HydrophobicContact CE-CZ 3.28Å; M227-F354 HydrophobicContact SD-CE1 4.22Å; M227-F354 HydrophobicContact SD-CE2 3.53Å; M227-F354 VanDerWaalsContact SD-CE2 3.53Å; M227-F354 HydrophobicContact SD-CZ 3.23Å; M227-F354 WeakPolarHBondContact SD-CZ 3.41Å; Y231-F354 HydrophobicContact CD1-CD2 4.12Å; Y231-F354 HydrophobicContact CD1-CG 4.47Å; Y231-F354 HydrophobicContact CE1-CD2 4.49Å; Y231-F354 HydrophobicContact CG-CD2 4.26Å; Y231-F354 HydrophobicContact CG-CE2 4.42Å; S352-F354 PolarHBondContact O-N 3.4Å; F354-L356 VanDerWaalsContact C-N 3.25Å; F354-L356 HydrophobicContact CB-CD1 3.9Å; F354-L356 HydrophobicContact CB-CG 4.12Å; F354-L356 PolarHBondContact O-N 3.42Å
355N66.4Low75.1Confident157 Ų15757.2 Ų57.284%0.8430%0.299SS*.  trans55.337.3-175-73.1-5.3000113.8S352S352-N355 PolarHBondContact O-N 3.04Å; S352-N355 PolarHBondContact OG-N 3.42Å
356L66.9Low75.2Confident18 Ų1857.6 Ų57.69%0.09430%0.301CS..  trans-102138.9173.7-63.9166.7000111.1Y231 L235 E239 S352 F354Y231-L356 HydrophobicContact CD1-CD1 3.47Å; Y231-L356 VanDerWaalsContact CD1-CD1 3.47Å; Y231-L356 HydrophobicContact CE1-CD1 3.55Å; L235-L356 HydrophobicContact CB-CD1 3.79Å; L235-L356 HydrophobicContact CB-CD2 4.21Å; L235-L356 HydrophobicContact CD1-CD1 3.98Å; L235-L356 HydrophobicContact CG-CD1 4.34Å; L235-L356 WeakPolarHBondContact O-CD2 3.25Å; E239-L356 HydrophobicContact CG-CD2 3.89Å; E239-L356 VanDerWaalsContact OE1-CA 3.24Å; E239-L356 WeakPolarHBondContact OE1-CA 3.11Å; S352-L356 WeakPolarHBondContact OG-CA 3.48Å; S352-L356 PolarHBondContact OG-N 2.56Å; S352-L356 PolarHBondContact OG-O 3.01Å; F354-L356 VanDerWaalsContact C-N 3.25Å; F354-L356 HydrophobicContact CB-CD1 3.9Å; F354-L356 HydrophobicContact CB-CG 4.12Å; F354-L356 PolarHBondContact O-N 3.42Å
357S73.4Confident75.2Confident56 Ų5659.9 Ų59.939%0.39231%0.314SS..SBendtrans-85.6-29.4175.756.20000113.1E239 P348 M349E239-S357 VanDerWaalsContact CD-OG 3.31Å; E239-S357 PolarHBondContact OE1-N 3.28Å; E239-S357 PolarHBondContact OE1-OG 3.1Å; P348-S357 CarbonylContact C-O 3.54Å; P348-S357 WeakPolarHBondContact CA-O 3.4Å; M349-S357 PolarHBondContact N-O 2.89Å
358Y76.4Confident74.6Confident67 Ų6763.5 Ų63.526%0.26333%0.331SS..EExtended strand (participates in β ladder)trans-133.2153.3178-73.1-90.8000112E239 R346 Q347 P348 D385E239-Y358 WeakPolarHBondContact O-CB 3.34Å; R346-Y358 HydrophobicContact CG-CD1 3.92Å; R346-Y358 HydrophobicContact CG-CG 4.45Å; Q347-Y358 VanDerWaalsContact C-CD1 3.48Å; Q347-Y358 VanDerWaalsContact O-CA 3.32Å; Q347-Y358 WeakPolarHBondContact O-CA 3.31Å; Q347-Y358 WeakPolarHBondContact O-CD1 3.25Å; P348-Y358 HydrophobicContact CB-CD1 4.3Å; P348-Y358 HydrophobicContact CB-CE1 3.93Å; P348-Y358 HydrophobicContact CG-CE1 4.49Å; Y358-D385 WeakPolarHBondContact CE1-OD2 3.38Å
359G73.1Confident74.2Confident4 Ų463 Ų634%0.04132%0.324CS..EExtended strand (participates in β ladder)trans-156.7164.7174.400000112.9Q347 I361Q347-G359 PolarHBondContact N-O 2.88Å; Q347-G359 PolarHBondContact O-N 2.95Å; G359-I361 PolarHBondContact O-N 3.43Å
360L78.5Confident73.5Confident12 Ų1269.5 Ų69.56%0.06336%0.36CS..EExtended strand (participates in β ladder)trans-79.598.4176.5-74-178000111.3M226 F230 L243 A245 L344 T345M226-L360 HydrophobicContact CE-CB 3.97Å; M226-L360 WeakPolarHBondContact CE-O 3.48Å; F230-L360 HydrophobicContact CD1-CD1 3.79Å; F230-L360 HydrophobicContact CD2-CD1 4.25Å; F230-L360 HydrophobicContact CE1-CD1 3.68Å; F230-L360 HydrophobicContact CE2-CD1 4.16Å; F230-L360 HydrophobicContact CG-CD1 4.09Å; F230-L360 HydrophobicContact CZ-CD1 3.88Å; L243-L360 HydrophobicContact CD2-CD1 3.85Å; L243-L360 HydrophobicContact CG-CD1 4.12Å; L243-L360 VanDerWaalsContact O-CD2 3.26Å; L243-L360 WeakPolarHBondContact O-CD2 3.28Å; A245-L360 HydrophobicContact CB-CD1 4.22Å; L344-L360 HydrophobicContact CB-CB 4.02Å; L344-L360 HydrophobicContact CD2-CB 4.4Å; L344-L360 WeakPolarHBondContact CD2-O 3.23Å; T345-L360 CarbonylContact O-C 3.47Å; T345-L360 WeakPolarHBondContact O-CA 3.38Å
361I78.6Confident73.7Confident49 Ų4967.8 Ų67.825%0.25135%0.347SS..EExtended strand (participates in β ladder)trans-98.1143.1-178.5-59.5-175.9000110.3L344 T345 Q347 M349 G359 S363L344-I361 VanDerWaalsContact CA-O 3.3Å; L344-I361 WeakPolarHBondContact CA-O 3.47Å; T345-I361 PolarHBondContact N-O 3.24Å; T345-I361 PolarHBondContact O-N 3Å; Q347-I361 HydrophobicContact CB-CB 4Å; Q347-I361 HydrophobicContact CB-CD1 3.56Å; Q347-I361 HydrophobicContact CB-CG1 3.81Å; Q347-I361 HydrophobicContact CG-CB 3.75Å; Q347-I361 HydrophobicContact CG-CD1 4.19Å; Q347-I361 HydrophobicContact CG-CG1 4.16Å; M349-I361 HydrophobicContact CG-CD1 4.16Å; G359-I361 PolarHBondContact O-N 3.43Å; I361-S363 PolarHBondContact O-N 3.32Å; I361-S363 PolarHBondContact O-OG 3.31Å
362P82Confident74.2Confident14 Ų1463.2 Ų63.29%0.09133%0.325CS..EExtended strand (participates in β ladder)trans-55.199.3167.4-2937.1000113P222 T342 L344 K379P222-P362 HydrophobicContact CB-CG 3.55Å; P222-P362 HydrophobicContact CG-CG 3.99Å; T342-P362 HydrophobicContact CG2-CB 3.72Å; T342-P362 HydrophobicContact CG2-CG 4.45Å; L344-P362 HydrophobicContact CD2-CG 4.36Å; L344-P362 HydrophobicContact CG-CG 4.35Å; P362-K379 WeakPolarHBondContact O-CD 3.19Å; P362-K379 WeakPolarHBondContact O-CE 3.4Å; P362-K379 PolarHBondContact O-NZ 2.86Å
363S87.2Confident75Confident0 Ų062.7 Ų62.70%032%0.32CS..EExtended strand (participates in β ladder)trans-109.2-22.6-173-65.30000114.1L343 T345 Q347 I361 K379L343-S363 PolarHBondContact O-N 3.03Å; T345-S363 WeakPolarHBondContact OG1-CB 3.47Å; T345-S363 PolarHBondContact OG1-OG 3.49Å; Q347-S363 PolarHBondContact NE2-OG 2Å; I361-S363 PolarHBondContact O-N 3.32Å; I361-S363 PolarHBondContact O-OG 3.31Å; S363-K379 PolarHBondContact O-N 3.31Å
364A90.7Very high76Confident0 Ų056.2 Ų56.20%029%0.287CS..EExtended strand (participates in β ladder)trans-143.9159176.200000112.8T342 L343 L376 L377 F378T342-A364 WeakPolarHBondContact CA-O 3.35Å; L343-A364 HydrophobicContact CB-CB 4.01Å; L343-A364 HydrophobicContact CD2-CB 4.2Å; L343-A364 PolarHBondContact N-O 3.48Å; L343-A364 PolarHBondContact O-N 3.17Å; A364-L376 HydrophobicContact CB-CD1 3.6Å; A364-L376 HydrophobicContact CB-CG 4.4Å; A364-L377 CarbonylContact C-O 3.59Å; A364-L377 VanDerWaalsContact CA-O 3.25Å; A364-L377 WeakPolarHBondContact CA-O 3.38Å; A364-L377 WeakPolarHBondContact CB-O 2.86Å; A364-F378 HydrophobicContact CB-CB 4.37Å; A364-F378 HydrophobicContact CB-CD1 3.72Å; A364-F378 HydrophobicContact CB-CD2 4.22Å; A364-F378 HydrophobicContact CB-CE1 3.95Å; A364-F378 HydrophobicContact CB-CE2 4.43Å; A364-F378 HydrophobicContact CB-CG 3.86Å; A364-F378 HydrophobicContact CB-CZ 4.3Å
365Y89.8Confident77.2Confident90 Ų9053 Ų5335%0.35328%0.277SS..EExtended strand (participates in β ladder)trans-116.9141.9176.1-61-71.9000110.2T342 L377 K379T342-Y365 HydrophobicContact CG2-CD1 4.5Å; T342-Y365 HydrophobicContact CG2-CE1 4.4Å; T342-Y365 WeakPolarHBondContact OG1-CD1 3.42Å; Y365-L377 PolarHBondContact N-O 3.39Å; Y365-L377 PolarHBondContact O-N 3.26Å; Y365-K379 HydrophobicContact CD2-CG 4.37Å; Y365-K379 HydrophobicContact CE2-CD 4.16Å; Y365-K379 HydrophobicContact CE2-CG 3.81Å; Y365-K379 WeakPolarHBondContact OH-CE 3.23Å; Y365-K379 PolarHBondContact OH-NZ 3.01Å
366F88.8Confident78.3Confident8 Ų847 Ų474%0.03524%0.244CC..EExtended strand (participates in β ladder)trans-89.8114.9166.4-64.3-87.2000107.8A103 L107 I246 F341 L343 P374 G375 L376A103-F366 HydrophobicContact CB-CB 4.36Å; A103-F366 HydrophobicContact CB-CD1 3.7Å; A103-F366 HydrophobicContact CB-CD2 3.85Å; A103-F366 HydrophobicContact CB-CE1 3.86Å; A103-F366 HydrophobicContact CB-CE2 3.99Å; A103-F366 HydrophobicContact CB-CG 3.69Å; A103-F366 HydrophobicContact CB-CZ 3.99Å; A103-F366 WeakPolarHBondContact O-CE1 3.42Å; A103-F366 WeakPolarHBondContact O-CZ 3.21Å; L107-F366 HydrophobicContact CB-CE1 4.37Å; L107-F366 HydrophobicContact CB-CZ 4.25Å; I246-F366 HydrophobicContact CD1-CE2 4.1Å; I246-F366 HydrophobicContact CD1-CZ 3.8Å; I246-F366 HydrophobicContact CG1-CE2 4.16Å; I246-F366 HydrophobicContact CG1-CZ 4.28Å; I246-F366 HydrophobicContact CG2-CD2 4.43Å; I246-F366 HydrophobicContact CG2-CE2 3.9Å; F341-F366 HydrophobicContact CB-CB 4.17Å; F341-F366 HydrophobicContact CB-CD2 3.68Å; F341-F366 HydrophobicContact CB-CE2 4.49Å; F341-F366 HydrophobicContact CB-CG 4.24Å; F341-F366 PolarHBondContact O-N 3.34Å; L343-F366 HydrophobicContact CB-CE2 3.94Å; L343-F366 HydrophobicContact CB-CZ 4.39Å; F366-P374 HydrophobicContact CB-CB 4.16Å; F366-P374 HydrophobicContact CB-CG 4.33Å; F366-P374 HydrophobicContact CD1-CG 4.34Å; F366-G375 CarbonylContact C-O 3.56Å; F366-G375 WeakPolarHBondContact CA-O 3.45Å; F366-L376 HydrophobicContact CD1-CD1 4.07Å; F366-L376 HydrophobicContact CE1-CB 4.41Å; F366-L376 HydrophobicContact CE1-CD1 3.69Å; F366-L376 HydrophobicContact CE1-CG 4.49Å; F366-L376 HydrophobicContact CE2-CD1 4.23Å; F366-L376 HydrophobicContact CZ-CD1 3.79Å
367I82.2Confident79.4Confident71 Ų7150.7 Ų50.736%0.36426%0.263SS..EExtended strand (participates in β ladder)trans-108.9139.2-178.555167.8000109.7I369 P374 G375 L377I367-I369 HydrophobicContact CD1-CG2 4.49Å; I367-I369 HydrophobicContact CG1-CG2 4.48Å; I367-I369 PolarHBondContact O-N 3.17Å; I367-P374 CarbonylContact O-C 3.56Å; I367-P374 VanDerWaalsContact O-CA 3.31Å; I367-P374 WeakPolarHBondContact O-CA 3.43Å; I367-P374 WeakPolarHBondContact O-CB 3.3Å; I367-G375 WeakPolarHBondContact CG1-O 3.31Å; I367-G375 PolarHBondContact N-O 2.74Å; I367-G375 PolarHBondContact O-N 3.29Å; I367-L377 HydrophobicContact CD1-CB 4.15Å; I367-L377 HydrophobicContact CD1-CD2 4.28Å; I367-L377 HydrophobicContact CG1-CB 4.38Å
368E72.1Confident80.2Confident95 Ų9550.4 Ų50.444%0.44426%0.255SS..  trans-70.1124.7174.3-164.5157.2-15300109.8
369I69.9Low80.7Confident58 Ų5850.1 Ų50.130%0.29726%0.255SS..  trans-116159.3171.353.8175.4000106.3I367 E371 L373I367-I369 HydrophobicContact CD1-CG2 4.49Å; I367-I369 HydrophobicContact CG1-CG2 4.48Å; I367-I369 PolarHBondContact O-N 3.17Å; I369-E371 HydrophobicContact CD1-CB 4.15Å; I369-E371 HydrophobicContact CD1-CG 4.02Å; I369-E371 HydrophobicContact CG1-CB 4.04Å; I369-E371 HydrophobicContact CG1-CG 4.18Å; I369-E371 PolarHBondContact O-N 3Å; I369-L373 WeakPolarHBondContact CG1-O 3.35Å
370N60Low81.2Confident183 Ų18355.1 Ų55.198%0.97929%0.287SS*.SBendtrans-68.839.5-179.6-70.7-10000113.2
371E65Low81.4Confident123 Ų12363.9 Ų63.958%0.57533%0.327SS*.SBendtrans-124.5168.2178.5-57.7-170.5171.100109.6I369 L373I369-E371 HydrophobicContact CD1-CB 4.15Å; I369-E371 HydrophobicContact CD1-CG 4.02Å; I369-E371 HydrophobicContact CG1-CB 4.04Å; I369-E371 HydrophobicContact CG1-CG 4.18Å; I369-E371 PolarHBondContact O-N 3Å; E371-L373 PolarHBondContact O-N 2.95Å
372T71.9Confident81.6Confident65 Ų6563.6 Ų63.640%0.39933%0.326SS..SBendtrans-65.1-22.3179.848.40000113.3R102R102-T372 PolarHBondContact NE-O 3.28Å; R102-T372 PolarHBondContact NH2-O 3.22Å
373L79Confident81.7Confident9 Ų970.3 Ų70.35%0.04736%0.356CS..SBendtrans-120.9144.6-178.2-68.7177.3000110.9R102 I105 K109 T144 I369 E371R102-L373 HydrophobicContact CB-CD2 4.27Å; I105-L373 HydrophobicContact CB-CD2 4.24Å; I105-L373 HydrophobicContact CG2-CD1 3.7Å; I105-L373 HydrophobicContact CG2-CD2 4.03Å; K109-L373 HydrophobicContact CD-CD1 4.44Å; T144-L373 HydrophobicContact CG2-CD1 3.82Å; T144-L373 HydrophobicContact CG2-CG 4.18Å; I369-L373 WeakPolarHBondContact CG1-O 3.35Å; E371-L373 PolarHBondContact O-N 2.95Å
374P84.2Confident81.7Confident21 Ų2170.9 Ų70.914%0.13636%0.36CS..  trans-68.2145.817628.6-34.4000111.3R102 S106 F366 I367R102-P374 HydrophobicContact CB-CG 4.42Å; S106-P374 VanDerWaalsContact CB-O 3.23Å; S106-P374 WeakPolarHBondContact CB-O 3.38Å; S106-P374 VanDerWaalsContact OG-CD 3.28Å; S106-P374 WeakPolarHBondContact OG-CD 3.06Å; S106-P374 WeakPolarHBondContact OG-CG 3.27Å; S106-P374 PolarHBondContact OG-O 2.83Å; F366-P374 HydrophobicContact CB-CB 4.16Å; F366-P374 HydrophobicContact CB-CG 4.33Å; F366-P374 HydrophobicContact CD1-CG 4.34Å; I367-P374 CarbonylContact O-C 3.56Å; I367-P374 VanDerWaalsContact O-CA 3.31Å; I367-P374 WeakPolarHBondContact O-CA 3.43Å; I367-P374 WeakPolarHBondContact O-CB 3.3Å
375G85.3Confident81.5Confident14 Ų1473.5 Ų73.514%0.14437%0.374CS..EExtended strand (participates in β ladder)trans-74.8141.5172.500000111.4F366 I367F366-G375 CarbonylContact C-O 3.56Å; F366-G375 WeakPolarHBondContact CA-O 3.45Å; I367-G375 WeakPolarHBondContact CG1-O 3.31Å; I367-G375 PolarHBondContact N-O 2.74Å; I367-G375 PolarHBondContact O-N 3.29Å
376L89.7Confident81.3Confident29 Ų2970.6 Ų70.615%0.15236%0.362CS..EExtended strand (participates in β ladder)trans-95.2115.4175.2179.961.8000110L107 N110 L343 A364 F366 F378L107-L376 HydrophobicContact CD1-CD2 3.69Å; N110-L376 HydrophobicContact CB-CD2 3.97Å; L343-L376 HydrophobicContact CD2-CD1 4.31Å; A364-L376 HydrophobicContact CB-CD1 3.6Å; A364-L376 HydrophobicContact CB-CG 4.4Å; F366-L376 HydrophobicContact CD1-CD1 4.07Å; F366-L376 HydrophobicContact CE1-CB 4.41Å; F366-L376 HydrophobicContact CE1-CD1 3.69Å; F366-L376 HydrophobicContact CE1-CG 4.49Å; F366-L376 HydrophobicContact CE2-CD1 4.23Å; F366-L376 HydrophobicContact CZ-CD1 3.79Å; L376-F378 HydrophobicContact CD2-CE2 3.73Å; L376-F378 HydrophobicContact CD2-CZ 4.22Å; L376-F378 HydrophobicContact CG-CD2 4.4Å; L376-F378 HydrophobicContact CG-CE2 3.98Å
377L90.1Very high80.9Confident96 Ų9671 Ų7150%0.50337%0.365SS..EExtended strand (participates in β ladder)trans-116.2109.6-180-17668.3000111.2A364 Y365 I367A364-L377 CarbonylContact C-O 3.59Å; A364-L377 VanDerWaalsContact CA-O 3.25Å; A364-L377 WeakPolarHBondContact CA-O 3.38Å; A364-L377 WeakPolarHBondContact CB-O 2.86Å; Y365-L377 PolarHBondContact N-O 3.39Å; Y365-L377 PolarHBondContact O-N 3.26Å; I367-L377 HydrophobicContact CD1-CB 4.15Å; I367-L377 HydrophobicContact CD1-CD2 4.28Å; I367-L377 HydrophobicContact CG1-CB 4.38Å
378F90.2Very high80.8Confident50 Ų5075 Ų7522%0.21939%0.386CS..EExtended strand (participates in β ladder)trans-71.4143.7172.5-77.6-90.3000111.8Y111 L343 A364 L376 L382 V384Y111-F378 WeakPolarHBondContact OH-CZ 3.29Å; L343-F378 HydrophobicContact CD2-CE1 4.23Å; L343-F378 HydrophobicContact CD2-CZ 4.03Å; A364-F378 HydrophobicContact CB-CB 4.37Å; A364-F378 HydrophobicContact CB-CD1 3.72Å; A364-F378 HydrophobicContact CB-CD2 4.22Å; A364-F378 HydrophobicContact CB-CE1 3.95Å; A364-F378 HydrophobicContact CB-CE2 4.43Å; A364-F378 HydrophobicContact CB-CG 3.86Å; A364-F378 HydrophobicContact CB-CZ 4.3Å; L376-F378 HydrophobicContact CD2-CE2 3.73Å; L376-F378 HydrophobicContact CD2-CZ 4.22Å; L376-F378 HydrophobicContact CG-CD2 4.4Å; L376-F378 HydrophobicContact CG-CE2 3.98Å; F378-L382 WeakPolarHBondContact CB-O 3.26Å; F378-L382 VanDerWaalsContact CD1-O 3.31Å; F378-L382 WeakPolarHBondContact CD1-O 3.07Å; F378-V384 HydrophobicContact CE1-CG2 4.09Å; F378-V384 HydrophobicContact CZ-CG2 4.14Å
379K87.1Confident81.2Confident61 Ų6173.6 Ų73.627%0.26540%0.398SS..PPolyproline II helixtrans-65.8152.1170.7-74.4179.9-179.2170.40110.5P362 S363 Y365 H381 L382P362-K379 WeakPolarHBondContact O-CD 3.19Å; P362-K379 WeakPolarHBondContact O-CE 3.4Å; P362-K379 PolarHBondContact O-NZ 2.86Å; S363-K379 PolarHBondContact O-N 3.31Å; Y365-K379 HydrophobicContact CD2-CG 4.37Å; Y365-K379 HydrophobicContact CE2-CD 4.16Å; Y365-K379 HydrophobicContact CE2-CG 3.81Å; Y365-K379 WeakPolarHBondContact OH-CE 3.23Å; Y365-K379 PolarHBondContact OH-NZ 3.01Å; K379-H381 PolarHBondContact O-N 3.43Å; K379-L382 HydrophobicContact CB-CB 4.23Å; K379-L382 HydrophobicContact CB-CD1 3.94Å; K379-L382 HydrophobicContact CB-CG 4.47Å; K379-L382 HydrophobicContact CD-CD1 3.93Å; K379-L382 PolarHBondContact O-N 2.91Å; K379-L382 VanDerWaalsContact O-N 3.13Å
380P82.4Confident81.8Confident109 Ų10977.1 Ų77.171%0.70841%0.411SS*.THydrogen-bonded Turntrans-53.3131.6174-23.833.3000111.2L382P380-L382 PolarHBondContact O-N 2.91Å
381H82.5Confident83.1Confident197 Ų19771.4 Ų71.491%0.91238%0.38SS*.THydrogen-bonded Turntrans65.610.7178.9-45.5-69.9000116.4K379K379-H381 PolarHBondContact O-N 3.43Å
382L83.3Confident84.2Confident43 Ų4365.7 Ų65.723%0.22535%0.354CS..  trans-117.9120174.5-66.5173.2000109.4Q347 F378 K379 P380Q347-L382 HydrophobicContact CG-CD2 4.28Å; F378-L382 WeakPolarHBondContact CB-O 3.26Å; F378-L382 VanDerWaalsContact CD1-O 3.31Å; F378-L382 WeakPolarHBondContact CD1-O 3.07Å; K379-L382 HydrophobicContact CB-CB 4.23Å; K379-L382 HydrophobicContact CB-CD1 3.94Å; K379-L382 HydrophobicContact CB-CG 4.47Å; K379-L382 HydrophobicContact CD-CD1 3.93Å; K379-L382 PolarHBondContact O-N 2.91Å; K379-L382 VanDerWaalsContact O-N 3.13Å; P380-L382 PolarHBondContact O-N 2.91Å
383Q84Confident84.9Confident154 Ų15466.9 Ų66.972%0.7236%0.355SS*.  trans-130165.1167.4-70.7-166-9.600108.6Q347 D385Q347-Q383 PolarHBondContact NE2-O 3.17Å; Q383-D385 PolarHBondContact O-N 2.85Å; Q383-D385 VanDerWaalsContact O-N 3.17Å
384V87.1Confident85.2Confident13 Ų1367.7 Ų67.78%0.07936%0.359CS..  trans-59.9122175.3-177.10000109.4Y111 L244 T345 F378 W386Y111-V384 WeakPolarHBondContact OH-CG2 3.47Å; L244-V384 HydrophobicContact CD2-CG1 3.97Å; L244-V384 HydrophobicContact CD2-CG2 4.12Å; T345-V384 HydrophobicContact CG2-CG2 3.65Å; F378-V384 HydrophobicContact CE1-CG2 4.09Å; F378-V384 HydrophobicContact CZ-CG2 4.14Å; V384-W386 HydrophobicContact CB-CD2 4.24Å; V384-W386 HydrophobicContact CB-CH2 4.42Å; V384-W386 HydrophobicContact CB-CZ2 3.79Å; V384-W386 HydrophobicContact CG1-CD2 3.56Å; V384-W386 VanDerWaalsContact CG1-CE2 3.44Å; V384-W386 HydrophobicContact CG1-CE3 3.77Å; V384-W386 HydrophobicContact CG1-CG 4.2Å; V384-W386 HydrophobicContact CG1-CH2 3.73Å; V384-W386 HydrophobicContact CG1-CZ2 3.54Å; V384-W386 HydrophobicContact CG1-CZ3 3.85Å; V384-W386 HydrophobicContact CG2-CZ2 4.05Å; V384-W386 PolarHBondContact O-N 2.93Å; V384-W386 VanDerWaalsContact O-N 3.14Å
385D86.1Confident85.1Confident55 Ų5568.7 Ų68.729%0.29436%0.362SS..  trans-81.686171.8-176.540.3000109.8R346 Y358 Q383R346-D385 IonicContact CZ-OD2 3.33Å; R346-D385 PolarHBondContact NH1-O 3.4Å; R346-D385 IonicContact NH1-OD2 3.1Å; R346-D385 PolarHBondContact NH1-OD2 2.85Å; R346-D385 IonicContact NH2-OD2 3.65Å; R346-D385 WeakPolarHBondContact O-CB 3.05Å; Y358-D385 WeakPolarHBondContact CE1-OD2 3.38Å; Q383-D385 PolarHBondContact O-N 2.85Å; Q383-D385 VanDerWaalsContact O-N 3.17Å
386W86.7Confident84.8Confident28 Ų2870.3 Ų70.311%0.10637%0.37CS..  trans-68.2144.4176.3-60.1113.5000111.2Y111 W113 V209 L244 V384 D388 G389 K390 L391 P392Y111-W386 HydrophobicContact CD1-CZ2 4.32Å; Y111-W386 AromaticContact CE1-CZ2 3.85Å; Y111-W386 HydrophobicContact CE1-CZ2 3.85Å; Y111-W386 HydrophobicContact CE2-CZ2 4.2Å; Y111-W386 AromaticContact CZ-CZ2 3.77Å; W113-W386 AromaticContact CH2-CH2 3.65Å; W113-W386 HydrophobicContact CH2-CH2 3.65Å; W113-W386 HydrophobicContact CH2-CZ2 4.42Å; W113-W386 HydrophobicContact CH2-CZ3 4.38Å; W113-W386 AromaticContact CZ2-CH2 3.97Å; W113-W386 HydrophobicContact CZ2-CH2 3.97Å; V209-W386 HydrophobicContact CG2-CZ3 4.13Å; L244-W386 HydrophobicContact CD1-CH2 4.03Å; V384-W386 HydrophobicContact CB-CD2 4.24Å; V384-W386 HydrophobicContact CB-CH2 4.42Å; V384-W386 HydrophobicContact CB-CZ2 3.79Å; V384-W386 HydrophobicContact CG1-CD2 3.56Å; V384-W386 VanDerWaalsContact CG1-CE2 3.44Å; V384-W386 HydrophobicContact CG1-CE3 3.77Å; V384-W386 HydrophobicContact CG1-CG 4.2Å; V384-W386 HydrophobicContact CG1-CH2 3.73Å; V384-W386 HydrophobicContact CG1-CZ2 3.54Å; V384-W386 HydrophobicContact CG1-CZ3 3.85Å; V384-W386 HydrophobicContact CG2-CZ2 4.05Å; V384-W386 PolarHBondContact O-N 2.93Å; V384-W386 VanDerWaalsContact O-N 3.14Å; W386-D388 PolarHBondContact O-N 2.95Å; W386-G389 PolarHBondContact O-N 2.81Å; W386-K390 WeakPolarHBondContact CB-O 3.01Å; W386-L391 HydrophobicContact CD2-CD1 4.29Å; W386-L391 VanDerWaalsContact CE2-CD1 3.47Å; W386-L391 HydrophobicContact CH2-CD1 3.99Å; W386-L391 HydrophobicContact CZ2-CD1 3.31Å; W386-P392 HydrophobicContact CE3-CG 3.94Å; W386-P392 HydrophobicContact CZ3-CG 3.84Å
387I80.9Confident84.1Confident18 Ų1874 Ų749%0.09240%0.396CS..G310 helixtrans-59.2131173.1-57.6173.6000108.5L203 D240 S242 G389 K390L203-I387 WeakPolarHBondContact O-CD1 3.5Å; D240-I387 WeakPolarHBondContact O-CD1 3.42Å; S242-I387 WeakPolarHBondContact OG-CD1 3.22Å; I387-G389 PolarHBondContact O-N 3.38Å; I387-K390 PolarHBondContact O-N 2.98Å; I387-K390 VanDerWaalsContact O-N 3.17Å
388D78.4Confident83.3Confident153 Ų15371.9 Ų71.982%0.81839%0.389SS*.G310 helixtrans54.518.7-173.8-62.7-28.6000115.2W386 K390W386-D388 PolarHBondContact O-N 2.95Å; D388-K390 PolarHBondContact O-N 2.99Å
389G81Confident82.3Confident67 Ų6769.8 Ų69.869%0.69138%0.381SS*.G310 helixtrans68.412.8-17800000114.3W386 I387W386-G389 PolarHBondContact O-N 2.81Å; I387-G389 PolarHBondContact O-N 3.38Å
390K82.2Confident81.5Confident131 Ų13168.4 Ų68.457%0.5738%0.375SS*.  trans-105.8124.5-177.1-167.7-177.3175.7-1680111.5W386 I387 D388 P392W386-K390 WeakPolarHBondContact CB-O 3.01Å; I387-K390 PolarHBondContact O-N 2.98Å; I387-K390 VanDerWaalsContact O-N 3.17Å; D388-K390 PolarHBondContact O-N 2.99Å; K390-P392 WeakPolarHBondContact O-CD 3.3Å
391L87.8Confident80.8Confident64 Ų6466.7 Ų66.734%0.33536%0.357SS..PPolyproline II helixtrans-63.7127.7170.417871.6000109.7Y111 W113 W386 E393Y111-L391 HydrophobicContact CD1-CD1 3.34Å; Y111-L391 HydrophobicContact CD1-CD2 3.98Å; Y111-L391 HydrophobicContact CD1-CG 4.33Å; Y111-L391 HydrophobicContact CE1-CD1 3.79Å; Y111-L391 HydrophobicContact CG-CD1 3.96Å; W113-L391 HydrophobicContact CZ2-CD1 3.91Å; W386-L391 HydrophobicContact CD2-CD1 4.29Å; W386-L391 VanDerWaalsContact CE2-CD1 3.47Å; W386-L391 HydrophobicContact CH2-CD1 3.99Å; W386-L391 HydrophobicContact CZ2-CD1 3.31Å; L391-E393 PolarHBondContact O-N 3.47Å
392P88Confident79.8Confident2 Ų258.4 Ų58.41%0.01333%0.325CS..PPolyproline II helixtrans-57.3130.9169.6-17.122.6000110.8W113 G206 V209 W386 K390W113-P392 HydrophobicContact CZ2-CB 4.4Å; W113-P392 HydrophobicContact CZ2-CG 4.37Å; W113-P392 PolarHBondContact NE1-O 3.11Å; G206-P392 VanDerWaalsContact O-CG 3.28Å; G206-P392 WeakPolarHBondContact O-CG 3.48Å; V209-P392 HydrophobicContact CB-CG 4.07Å; V209-P392 HydrophobicContact CG1-CB 4.33Å; V209-P392 HydrophobicContact CG1-CG 4.27Å; W386-P392 HydrophobicContact CE3-CG 3.94Å; W386-P392 HydrophobicContact CZ3-CG 3.84Å; K390-P392 WeakPolarHBondContact O-CD 3.3Å
393E86.9Confident78.9Confident90 Ų9061.5 Ų61.542%0.42134%0.339SS..PPolyproline II helixtrans-82.7141.4171.3-66.5-179.5-169.300109.2A179 L391 E395 P397A179-E393 WeakPolarHBondContact CB-O 3.36Å; L391-E393 PolarHBondContact O-N 3.47Å; E393-E395 VanDerWaalsContact C-N 3.29Å; E393-E395 PolarHBondContact O-N 2.57Å; E393-P397 VanDerWaalsContact OE2-CD 3.23Å; E393-P397 WeakPolarHBondContact OE2-CD 3.3Å; E393-P397 WeakPolarHBondContact OE2-CG 3.48Å
394D85.1Confident78.1Confident26 Ų2660 Ų6014%0.13933%0.327CS..SBendtrans-73.3-23.8179.860.9-48.7000113.3W113 R114 K115 V180 F400W113-D394 HydrophobicContact CB-CB 4.02Å; W113-D394 HydrophobicContact CG-CB 4.1Å; R114-D394 VanDerWaalsContact CA-OD2 3.23Å; R114-D394 WeakPolarHBondContact CA-OD2 3.43Å; R114-D394 WeakPolarHBondContact CB-OD2 3.25Å; R114-D394 PolarHBondContact N-OD2 2.95Å; K115-D394 HydrophobicContact CB-CB 4.47Å; K115-D394 PolarHBondContact N-OD2 3.35Å; V180-D394 HydrophobicContact CG2-CB 4.1Å; D394-F400 WeakPolarHBondContact O-CZ 3.45Å
395E82.3Confident77.2Confident42 Ų4262.5 Ų62.520%0.19635%0.345CS..SBendtrans-144.1131.8170.8-178159.1-122.500108.9K115 E393 F400 Y404K115-E395 HydrophobicContact CD-CB 4.38Å; K115-E395 IonicContact NZ-OE1 2.7Å; K115-E395 PolarHBondContact NZ-OE1 2.83Å; E393-E395 VanDerWaalsContact C-N 3.29Å; E393-E395 PolarHBondContact O-N 2.57Å; E395-F400 HydrophobicContact CB-CE2 4.01Å; E395-F400 HydrophobicContact CG-CD2 4.04Å; E395-F400 HydrophobicContact CG-CE2 3.87Å; E395-Y404 HydrophobicContact CG-CE2 4.22Å; E395-Y404 WeakPolarHBondContact OE2-CE2 3.45Å
396P79.3Confident75.4Confident48 Ų4865 Ų6531%0.31236%0.362SS..  trans-56.7152.9177.2-24.332.6000111.5C398 G399 F400P396-C398 PolarHBondContact O-N 2.69Å; P396-G399 WeakPolarHBondContact O-CA 3.12Å; P396-G399 PolarHBondContact O-N 3.48Å; P396-F400 HydrophobicContact CG-CD1 4.1Å; P396-F400 HydrophobicContact CG-CE1 4.22Å; P396-F400 HydrophobicContact CG-CG 4.26Å; P396-F400 HydrophobicContact CG-CZ 4.47Å
397P74.7Confident73.3Confident107 Ų10769.8 Ų69.870%0.69540%0.4SS*.THydrogen-bonded Turntrans-57.7-25.6-177.6-26.235.2000114E393E393-P397 VanDerWaalsContact OE2-CD 3.23Å; E393-P397 WeakPolarHBondContact OE2-CD 3.3Å; E393-P397 WeakPolarHBondContact OE2-CG 3.48Å
398C73.5Confident71.2Confident52 Ų5276 Ų7635%0.35143%0.432SS..THydrogen-bonded Turntrans-99.62.8179.5-990000113.6P396 G402 E403 Y404 C405P396-C398 PolarHBondContact O-N 2.69Å; C398-G402 CarbonylContact O-C 3.56Å; C398-G402 WeakPolarHBondContact O-CA 3.39Å; C398-G402 PolarHBondContact O-N 2.93Å; C398-E403 PolarHBondContact O-N 3.36Å; C398-Y404 PolarHBondContact O-N 3.21Å; C398-C405 HydrophobicContact CB-CB 4.33Å; C398-C405 WeakPolarHBondContact CB-SG 3.48Å; C398-C405 WeakPolarHBondContact SG-CB 3.37Å; C398-C405 CovalentContact SG-SG 2.01Å; C398-C405 PolarHBondContact SG-SG 3.2Å
399G69.4Low68.9Low5 Ų571.9 Ų71.95%0.05243%0.425CS..  trans71.9158-167.400000111.2P396 H401 G402P396-G399 WeakPolarHBondContact O-CA 3.12Å; P396-G399 PolarHBondContact O-N 3.48Å; G399-H401 PolarHBondContact O-N 3.03Å; G399-H401 VanDerWaalsContact O-N 3.08Å; G399-G402 PolarHBondContact O-N 3.15Å; G399-G402 VanDerWaalsContact O-N 3.12Å
400F69.5Low66.5Low33 Ų3374 Ų7415%0.14543%0.429CS..THydrogen-bonded Turntrans-61.1-22.3-177.2-68.6-92.8000113.5K115 H176 F177 A179 D394 E395 P396K115-F400 HydrophobicContact CD-CE2 4.04Å; H176-F400 WeakPolarHBondContact O-CB 3.17Å; H176-F400 VanDerWaalsContact O-CG 3.28Å; H176-F400 WeakPolarHBondContact O-CG 3.29Å; F177-F400 WeakPolarHBondContact O-CE2 3.34Å; F177-F400 WeakPolarHBondContact O-CZ 3.32Å; A179-F400 HydrophobicContact CB-CE1 4.41Å; A179-F400 HydrophobicContact CB-CZ 4.16Å; D394-F400 WeakPolarHBondContact O-CZ 3.45Å; E395-F400 HydrophobicContact CB-CE2 4.01Å; E395-F400 HydrophobicContact CG-CD2 4.04Å; E395-F400 HydrophobicContact CG-CE2 3.87Å; P396-F400 HydrophobicContact CG-CD1 4.1Å; P396-F400 HydrophobicContact CG-CE1 4.22Å; P396-F400 HydrophobicContact CG-CG 4.26Å; P396-F400 HydrophobicContact CG-CZ 4.47Å
401H67.4Low63.9Low72 Ų7275.6 Ų75.633%0.33344%0.438SS..THydrogen-bonded Turntrans-114.812.6179-58.2-53.1000114F177 G399 E403F177-H401 AromaticContact CD1-NE2 3.96Å; F177-H401 AromaticContact CE1-NE2 3.33Å; F177-H401 VanDerWaalsContact CE1-NE2 3.33Å; F177-H401 WeakPolarHBondContact CE1-NE2 3.47Å; F177-H401 AromaticContact CZ-NE2 3.6Å; G399-H401 PolarHBondContact O-N 3.03Å; G399-H401 VanDerWaalsContact O-N 3.08Å; H401-E403 VanDerWaalsContact C-N 3.29Å; H401-E403 PolarHBondContact O-N 2.91Å
402G63.1Low61Low24 Ų2479.2 Ų79.225%0.24746%0.458CS..SBendtrans76.613.6-177.400000114.4C398 G399 Y404 C405C398-G402 CarbonylContact O-C 3.56Å; C398-G402 WeakPolarHBondContact O-CA 3.39Å; C398-G402 PolarHBondContact O-N 2.93Å; G399-G402 PolarHBondContact O-N 3.15Å; G399-G402 VanDerWaalsContact O-N 3.12Å; G402-Y404 VanDerWaalsContact C-N 3.29Å; G402-Y404 PolarHBondContact O-N 2.98Å; G402-C405 PolarHBondContact O-N 3.24Å
403E63Low58.1Low108 Ų10884.7 Ų84.751%0.50550%0.496SS..THydrogen-bonded Turntrans-66.8-22.1-174.661.9-163.9172.800114.8C398 H401C398-E403 PolarHBondContact O-N 3.36Å; H401-E403 VanDerWaalsContact C-N 3.29Å; H401-E403 PolarHBondContact O-N 2.91Å
404Y67Low55.3Low122 Ų12288.1 Ų88.148%0.47852%0.518SS..THydrogen-bonded Turntrans-99.7-10.3177.2-54.1-54.2000113.8E395 C398 G402 T406E395-Y404 HydrophobicContact CG-CE2 4.22Å; E395-Y404 WeakPolarHBondContact OE2-CE2 3.45Å; C398-Y404 PolarHBondContact O-N 3.21Å; G402-Y404 VanDerWaalsContact C-N 3.29Å; G402-Y404 PolarHBondContact O-N 2.98Å; Y404-T406 PolarHBondContact O-N 3.23Å
405C69.2Low52.6Low66 Ų6693.1 Ų93.145%0.44655%0.545SS..  trans-72.6103168.8-300000108.7C398 G402C398-C405 HydrophobicContact CB-CB 4.33Å; C398-C405 WeakPolarHBondContact CB-SG 3.48Å; C398-C405 WeakPolarHBondContact SG-CB 3.37Å; C398-C405 CovalentContact SG-SG 2.01Å; C398-C405 PolarHBondContact SG-SG 3.2Å; G402-C405 PolarHBondContact O-N 3.24Å
406T47.3Very low50.3Low106 Ų10697.6 Ų97.665%0.6557%0.574SS**  trans-72.3130.8167.939.30000109.4Y404 I408Y404-T406 PolarHBondContact O-N 3.23Å; T406-I408 PolarHBondContact O-N 2.75Å; T406-I408 WeakPolarHBondContact OG1-CD1 3.27Å
407S43.7Very low47.8Very low129 Ų12999.5 Ų99.590%0.90259%0.589SS**  trans-6881.9171.858.10000110
408I36.8Very low45.7Very low150 Ų15099.5 Ų99.577%0.76959%0.591SS**  trans-118.7126.8171.4-57169.6000104.5T406T406-I408 PolarHBondContact O-N 2.75Å; T406-I408 WeakPolarHBondContact OG1-CD1 3.27Å
409G30.6Very low43.9Very low65 Ų65103.6 Ų103.667%0.6760%0.599SS**  cis-179.8150.51.600000103.8H411G409-H411 PolarHBondContact O-N 3.07Å; G409-H411 VanDerWaalsContact O-N 3.11Å
410S29.4Very low42.1Very low113 Ų113109.9 Ų109.979%0.7964%0.637SS**  trans-52.4115.1174.949.20000111.6
411H27.7Very low40.5Very low163 Ų163110.2 Ų110.276%0.75564%0.642SS**  trans-179.3123.7130.6-99.7-71000110.7G409G409-H411 PolarHBondContact O-N 3.07Å; G409-H411 VanDerWaalsContact O-N 3.11Å
412D27.7Very low39.3Very low140 Ų140108.9 Ų108.975%0.74964%0.637SS**  trans38103.9150.3-59.3-44.5000119.1
413S27.3Very low38.1Very low117 Ų117111.1 Ų111.182%0.81865%0.647SS**  169.9142.3107.358.10000110.7D415S413-D415 PolarHBondContact O-N 3.38Å; S413-D415 VanDerWaalsContact O-N 3.15Å
414D28.1Very low37.4Very low162 Ų162108.1 Ų108.187%0.86663%0.633SS**  trans-39.4104.8172.7-58.8-65.3000114.7
415D28.8Very low37.4Very low132 Ų132103.1 Ų103.171%0.70662%0.619SS**  trans-156103146.8-138.1-23.1000111.9S413 S417S413-D415 PolarHBondContact O-N 3.38Å; S413-D415 VanDerWaalsContact O-N 3.15Å; D415-S417 PolarHBondContact O-N 2.9Å; D415-S417 WeakPolarHBondContact OD1-CB 3.48Å; D415-S417 PolarHBondContact OD1-OG 3.47Å
416V33Very low37.6Very low135 Ų135101.2 Ų101.282%0.81860%0.604SS**  trans-90.536-178.2-177.60000110.1
417S27.5Very low38.9Very low89 Ų8997.1 Ų97.162%0.62258%0.583SS**  trans-118.16.1-166610000116.4D415D415-S417 PolarHBondContact O-N 2.9Å; D415-S417 WeakPolarHBondContact OD1-CB 3.48Å; D415-S417 PolarHBondContact OD1-OG 3.47Å
418S29.6Very low40.5Very low106 Ų10693.8 Ų93.874%0.74156%0.557SS**  trans-124.181.4175.4179.40000111.7
419W35.2Very low42.4Very low138 Ų13891 Ų9152%0.52354%0.537SS..  trans-126.898.5160.7-7086.3000106.7V421W419-V421 PolarHBondContact O-N 3.4Å
420T31.5Very low44.7Very low137 Ų13798.1 Ų98.184%0.8454%0.544SS*.  trans-73.6111.1163.1340000107.3D422T420-D422 PolarHBondContact O-N 2.91Å
421V36.3Very low46.6Very low41 Ų4196.1 Ų96.125%0.24854%0.541CS..  trans-71.4115.5167.3176.20000105.7W419 I436W419-V421 PolarHBondContact O-N 3.4Å; V421-I436 HydrophobicContact CG1-CG2 3.82Å; V421-I436 HydrophobicContact CG2-CG2 4.46Å
422D42Very low48.7Very low44 Ų4492 Ų9224%0.23553%0.531CS..  trans-52.7131.9172.1176.4-4.4000109.3T420 H424 G425 L426T420-D422 PolarHBondContact O-N 2.91Å; D422-H424 PolarHBondContact O-N 2.91Å; D422-H424 IonicContact OD1-CD2 2.91Å; D422-H424 PolarHBondContact OD1-CD2 3.46Å; D422-H424 IonicContact OD1-CG 3.93Å; D422-H424 PolarHBondContact OD1-N 3.27Å; D422-G425 PolarHBondContact O-N 3Å; D422-L426 VanDerWaalsContact CB-O 3.27Å; D422-L426 WeakPolarHBondContact CB-O 3.42Å
423P39.1Very low51.1Low70 Ų7088.2 Ų88.246%0.45551%0.51SS..THydrogen-bonded Turntrans-51.1-23.7174.518.3-31000114G425P423-G425 VanDerWaalsContact C-N 3.32Å; P423-G425 PolarHBondContact O-N 2.95Å
424H47Very low53.9Low46 Ų4682.9 Ų82.921%0.21347%0.473CS..THydrogen-bonded Turntrans-85.2-1.1177.8-54.2-63000114.6E175 L202 D422E175-H424 IonicContact OE1-CD2 3.54Å; E175-H424 IonicContact OE1-CE1 3.39Å; E175-H424 IonicContact OE1-CG 2.99Å; E175-H424 IonicContact OE1-ND1 3.4Å; E175-H424 PolarHBondContact OE1-ND1 2.94Å; E175-H424 IonicContact OE2-CE1 3.55Å; E175-H424 PolarHBondContact OE2-CE1 3.35Å; E175-H424 IonicContact OE2-ND1 3.63Å; E175-H424 PolarHBondContact OE2-ND1 3.48Å; E175-H424 IonicContact OE2-NE2 2.72Å; E175-H424 PolarHBondContact OE2-NE2 2.9Å; L202-H424 WeakPolarHBondContact CD2-CE1 2.89Å; L202-H424 WeakPolarHBondContact CD2-NE2 3.28Å; D422-H424 PolarHBondContact O-N 2.91Å; D422-H424 IonicContact OD1-CD2 2.91Å; D422-H424 PolarHBondContact OD1-CD2 3.46Å; D422-H424 IonicContact OD1-CG 3.93Å; D422-H424 PolarHBondContact OD1-N 3.27Å
425G67.8Low56.7Low17 Ų1776.5 Ų76.518%0.17544%0.442CS..SBendtrans70.541.1-179.500000113.1D422 P423 A435 I436D422-G425 PolarHBondContact O-N 3Å; P423-G425 VanDerWaalsContact C-N 3.32Å; P423-G425 PolarHBondContact O-N 2.95Å; G425-A435 CarbonylContact O-C 3.57Å; G425-A435 WeakPolarHBondContact O-CA 3.16Å; G425-I436 CarbonylContact C-O 3.54Å; G425-I436 WeakPolarHBondContact CA-O 3.09Å; G425-I436 PolarHBondContact O-N 2.83Å
426L73.9Confident59.4Low25 Ų2570.8 Ų70.813%0.13141%0.412CS..EExtended strand (participates in β ladder)trans-120.5161.3170.8-64.5174.3000110.8D422 L433 V434 Y486D422-L426 VanDerWaalsContact CB-O 3.27Å; D422-L426 WeakPolarHBondContact CB-O 3.42Å; L426-L433 HydrophobicContact CD2-CD2 4.47Å; L426-V434 CarbonylContact C-O 3.49Å; L426-V434 WeakPolarHBondContact CA-O 3.2Å; L426-Y486 HydrophobicContact CD1-CE2 4.29Å; L426-Y486 HydrophobicContact CD2-CD2 3.25Å; L426-Y486 HydrophobicContact CD2-CE2 3.45Å; L426-Y486 VanDerWaalsContact CD2-CE2 3.45Å; L426-Y486 HydrophobicContact CD2-CG 4.2Å
427G73.8Confident61.8Low21 Ų2168.2 Ų68.222%0.21639%0.39CS..EExtended strand (participates in β ladder)trans-166.3177.3173.300000111.7L433 V434G427-L433 CarbonylContact O-C 3.52Å; G427-L433 WeakPolarHBondContact O-CA 3.11Å; G427-V434 VanDerWaalsContact C-CG2 3.48Å; G427-V434 PolarHBondContact N-O 3.23Å; G427-V434 VanDerWaalsContact O-CG2 3.25Å; G427-V434 WeakPolarHBondContact O-CG2 3.37Å; G427-V434 PolarHBondContact O-N 2.76Å
428V76.4Confident64.4Low59 Ų5966.9 Ų66.936%0.35837%0.373SS..EExtended strand (participates in β ladder)trans-116.9123.7176.2-178.20000109S432 L433V428-S432 WeakPolarHBondContact CA-O 3.49Å; V428-L433 HydrophobicContact CG2-CD1 4.3Å
429Y77.5Confident66.7Low91 Ų9161.9 Ų61.936%0.35734%0.339SS..EExtended strand (participates in β ladder)trans-123.7116175-179.7-106000109.7G431 S432 I471Y429-G431 VanDerWaalsContact C-N 3.27Å; Y429-G431 PolarHBondContact O-N 3.39Å; Y429-S432 PolarHBondContact N-O 2.82Å; Y429-S432 PolarHBondContact O-N 3.46Å; Y429-I471 HydrophobicContact CD1-CG2 3.88Å; Y429-I471 HydrophobicContact CE1-CG2 3.82Å; Y429-I471 HydrophobicContact CG-CG2 4.46Å
430R79.3Confident68.6Low214 Ų21462 Ų6281%0.80834%0.339SS*.THydrogen-bonded Turntrans52.142.8-177.8-61.2-178.7171-172.5-4.3113.1S432R430-S432 PolarHBondContact O-N 3.1Å
431G68.3Low70.5Confident71 Ų7156.9 Ų56.973%0.73230%0.304SS*.THydrogen-bonded Turntrans746.3-179.500000115Y429Y429-G431 VanDerWaalsContact C-N 3.27Å; Y429-G431 PolarHBondContact O-N 3.39Å
432S72.5Confident71.8Confident76 Ų7662.4 Ų62.453%0.53133%0.327SS..EExtended strand (participates in β ladder)trans-110139.3174.7-58.60000110.6V428 Y429 R430V428-S432 WeakPolarHBondContact CA-O 3.49Å; Y429-S432 PolarHBondContact N-O 2.82Å; Y429-S432 PolarHBondContact O-N 3.46Å; R430-S432 PolarHBondContact O-N 3.1Å
433L78Confident72.6Confident62 Ų6268.9 Ų68.933%0.32535%0.353SS..EExtended strand (participates in β ladder)trans-66.7134.7174.5-138.687.8000110.1L426 G427 V428 Y486L426-L433 HydrophobicContact CD2-CD2 4.47Å; G427-L433 CarbonylContact O-C 3.52Å; G427-L433 WeakPolarHBondContact O-CA 3.11Å; V428-L433 HydrophobicContact CG2-CD1 4.3Å; L433-Y486 HydrophobicContact CB-CD1 4.22Å; L433-Y486 HydrophobicContact CB-CG 4.4Å; L433-Y486 HydrophobicContact CD2-CD1 3.38Å; L433-Y486 HydrophobicContact CD2-CD2 4.13Å; L433-Y486 HydrophobicContact CD2-CE1 3.59Å; L433-Y486 HydrophobicContact CD2-CE2 4.31Å; L433-Y486 HydrophobicContact CD2-CG 3.65Å; L433-Y486 HydrophobicContact CG-CD1 4.38Å; L433-Y486 HydrophobicContact CG-CG 4.47Å; L433-Y486 WeakPolarHBondContact O-CB 3.25Å
434V87.1Confident73.4Confident4 Ų476 Ų762%0.02437%0.371CS..EExtended strand (participates in β ladder)trans-128.5146.2179.5-65.90000110.4L426 G427 I436 I471 V483 R484L426-V434 CarbonylContact C-O 3.49Å; L426-V434 WeakPolarHBondContact CA-O 3.2Å; G427-V434 VanDerWaalsContact C-CG2 3.48Å; G427-V434 PolarHBondContact N-O 3.23Å; G427-V434 VanDerWaalsContact O-CG2 3.25Å; G427-V434 WeakPolarHBondContact O-CG2 3.37Å; G427-V434 PolarHBondContact O-N 2.76Å; V434-I436 HydrophobicContact CG2-CG1 4.27Å; V434-I471 HydrophobicContact CB-CD1 4.22Å; V434-I471 HydrophobicContact CG1-CD1 3.31Å; V434-V483 HydrophobicContact CB-CG1 3.82Å; V434-V483 HydrophobicContact CG1-CG1 4.28Å; V434-V483 HydrophobicContact CG2-CG1 3.76Å; V434-R484 CarbonylContact C-O 3.37Å; V434-R484 VanDerWaalsContact CA-O 3.24Å; V434-R484 WeakPolarHBondContact CA-O 3.43Å; V434-R484 VanDerWaalsContact CB-O 3.22Å; V434-R484 WeakPolarHBondContact CB-O 3.34Å
435A85.9Confident73.9Confident28 Ų2875.3 Ų75.323%0.23137%0.37CS..EExtended strand (participates in β ladder)trans-90.3131.4170.200000109.7G425 V483 R484G425-A435 CarbonylContact O-C 3.57Å; G425-A435 WeakPolarHBondContact O-CA 3.16Å; A435-V483 CarbonylContact O-C 3.52Å; A435-V483 WeakPolarHBondContact O-CA 3.46Å; A435-R484 PolarHBondContact N-O 3.16Å; A435-R484 PolarHBondContact O-N 3.38Å
436I86.4Confident73.6Confident12 Ų1280.8 Ų80.86%0.06239%0.385CS..EExtended strand (participates in β ladder)trans-118.4114.6-177.3-55.3-174.5000108.4V421 G425 V434 C481 V482 V483V421-I436 HydrophobicContact CG1-CG2 3.82Å; V421-I436 HydrophobicContact CG2-CG2 4.46Å; G425-I436 CarbonylContact C-O 3.54Å; G425-I436 WeakPolarHBondContact CA-O 3.09Å; G425-I436 PolarHBondContact O-N 2.83Å; V434-I436 HydrophobicContact CG2-CG1 4.27Å; I436-C481 HydrophobicContact CG2-CB 3.5Å; I436-V482 CarbonylContact C-O 3.52Å; I436-V482 WeakPolarHBondContact CA-O 3.48Å; I436-V483 HydrophobicContact CG1-CG1 4.48Å; I436-V483 HydrophobicContact CG1-CG2 4.39Å
437K83.5Confident73.2Confident81 Ų8188.8 Ų88.835%0.35242%0.422SS..EExtended strand (participates in β ladder)trans-108.3120.9178.8-173.4173.7-172.8171.30111.3C481 V482 N537 D550K437-C481 CarbonylContact O-C 3.6Å; K437-C481 WeakPolarHBondContact O-CA 3.06Å; K437-V482 PolarHBondContact N-O 2.89Å; K437-V482 PolarHBondContact O-N 3.28Å; K437-N537 PolarHBondContact NZ-OD1 3.46Å; K437-D550 VanDerWaalsContact NZ-CG 3.34Å; K437-D550 IonicContact NZ-OD1 3.48Å; K437-D550 IonicContact NZ-OD2 3.84Å; K437-D550 PolarHBondContact NZ-OD2 2.82Å
438E81.3Confident73.2Confident61 Ų6189.6 Ų89.629%0.28542%0.421SS..EExtended strand (participates in β ladder)trans-78.5138.7178.8-154-166.514800112.4R440 F479E438-R440 VanDerWaalsContact CD-NE 3.3Å; E438-R440 HydrophobicContact CG-CG 4.43Å; E438-R440 WeakPolarHBondContact OE1-CD 3.31Å; E438-R440 WeakPolarHBondContact OE1-CG 3.38Å; E438-R440 IonicContact OE1-CZ 2.72Å; E438-R440 IonicContact OE1-NE 3.54Å; E438-R440 PolarHBondContact OE1-NE 2.74Å; E438-R440 IonicContact OE1-NH2 2.74Å; E438-R440 IonicContact OE2-CZ 3.49Å; E438-R440 IonicContact OE2-NE 2.75Å; E438-R440 PolarHBondContact OE2-NE 2.6Å; E438-R440 IonicContact OE2-NH2 2.79Å; E438-R440 PolarHBondContact OE2-NH2 3.26Å; E438-F479 HydrophobicContact CG-CB 4.01Å; E438-F479 HydrophobicContact CG-CD2 3.65Å; E438-F479 HydrophobicContact CG-CE2 4.39Å; E438-F479 HydrophobicContact CG-CG 4.07Å; E438-F479 VanDerWaalsContact OE1-CB 3.23Å; E438-F479 WeakPolarHBondContact OE1-CB 3.45Å; E438-F479 VanDerWaalsContact OE1-CG 3.22Å; E438-F479 WeakPolarHBondContact OE1-CG 3.38Å
439I78.7Confident73.4Confident2 Ų288.3 Ų88.31%0.0142%0.415CS..EExtended strand (participates in β ladder)trans-124.1108.6171.1-56.5178000107.7Y441 F479 I480 V482 R557 Q560I439-Y441 HydrophobicContact CG2-CE1 4.23Å; I439-Y441 HydrophobicContact CG2-CE2 4.2Å; I439-Y441 WeakPolarHBondContact CG2-OH 3.47Å; I439-Y441 VanDerWaalsContact O-CE2 3.29Å; I439-Y441 WeakPolarHBondContact O-CE2 2.99Å; I439-F479 CarbonylContact O-C 3.43Å; I439-F479 VanDerWaalsContact O-CA 3.32Å; I439-F479 WeakPolarHBondContact O-CA 3Å; I439-I480 PolarHBondContact N-O 3.13Å; I439-I480 PolarHBondContact O-N 3.03Å; I439-V482 HydrophobicContact CD1-CG2 3.69Å; I439-V482 HydrophobicContact CG1-CG2 4.38Å; I439-R557 HydrophobicContact CD1-CG 4.24Å; I439-Q560 HydrophobicContact CG2-CB 4.1Å; I439-Q560 HydrophobicContact CG2-CG 3.92Å
440R74.6Confident73.5Confident141 Ų14194.1 Ų94.153%0.53244%0.436SS..EExtended strand (participates in β ladder)trans-90.3145.6179.9-69.7-174-176.6-173.48.1112.5E438 F479 V561E438-R440 VanDerWaalsContact CD-NE 3.3Å; E438-R440 HydrophobicContact CG-CG 4.43Å; E438-R440 WeakPolarHBondContact OE1-CD 3.31Å; E438-R440 WeakPolarHBondContact OE1-CG 3.38Å; E438-R440 IonicContact OE1-CZ 2.72Å; E438-R440 IonicContact OE1-NE 3.54Å; E438-R440 PolarHBondContact OE1-NE 2.74Å; E438-R440 IonicContact OE1-NH2 2.74Å; E438-R440 IonicContact OE2-CZ 3.49Å; E438-R440 IonicContact OE2-NE 2.75Å; E438-R440 PolarHBondContact OE2-NE 2.6Å; E438-R440 IonicContact OE2-NH2 2.79Å; E438-R440 PolarHBondContact OE2-NH2 3.26Å; R440-F479 HydrophobicContact CG-CB 4.14Å; R440-V561 PolarHBondContact O-N 2.87Å
441Y70.5Confident73.5Confident29 Ų2986.9 Ų86.911%0.11442%0.422CS..BIsolated β-bridgetrans-122.8145.3177-54.4-85.6000110.8I439 K443 T445 N478 I480 L556I439-Y441 HydrophobicContact CG2-CE1 4.23Å; I439-Y441 HydrophobicContact CG2-CE2 4.2Å; I439-Y441 WeakPolarHBondContact CG2-OH 3.47Å; I439-Y441 VanDerWaalsContact O-CE2 3.29Å; I439-Y441 WeakPolarHBondContact O-CE2 2.99Å; Y441-K443 VanDerWaalsContact C-N 3.29Å; Y441-K443 WeakPolarHBondContact CB-O 3.47Å; Y441-K443 PolarHBondContact O-N 3.26Å; Y441-T445 HydrophobicContact CD2-CG2 3.93Å; Y441-T445 HydrophobicContact CE2-CG2 4.13Å; Y441-N478 PolarHBondContact N-O 3.44Å; Y441-I480 HydrophobicContact CE2-CB 4.09Å; Y441-I480 HydrophobicContact CE2-CD1 3.85Å; Y441-I480 HydrophobicContact CE2-CG1 3.85Å; Y441-L556 WeakPolarHBondContact CE1-O 3.43Å; Y441-L556 WeakPolarHBondContact OH-CD2 3.45Å; Y441-L556 PolarHBondContact OH-O 2.81Å
442H64.2Low74.2Confident156 Ų15683.7 Ų83.772%0.72239%0.388SS*.SBendtrans-70.9-17.2177-72.8-34.3000114.7V561H442-V561 VanDerWaalsContact CE1-CG1 3.47Å; H442-V561 WeakPolarHBondContact CE1-CG1 3.4Å; H442-V561 WeakPolarHBondContact CE1-CG2 3.32Å; H442-V561 VanDerWaalsContact ND1-CG2 3.25Å; H442-V561 WeakPolarHBondContact ND1-CG2 3.39Å; H442-V561 WeakPolarHBondContact NE2-CG2 3.03Å
443K59.2Low74.7Confident181 Ų18185.9 Ų85.979%0.78739%0.388SS*.SBendtrans-141.4155.3177.8-72.1-176.9177.9176.60109.7Y441Y441-K443 VanDerWaalsContact C-N 3.29Å; Y441-K443 WeakPolarHBondContact CB-O 3.47Å; Y441-K443 PolarHBondContact O-N 3.26Å
444R56.2Low75.1Confident220 Ų22087 Ų8783%0.8339%0.393SS*.SBendtrans-27.8132.3-176.4-93.4-174.8176.4-179.8-1.2113.3R446R444-R446 PolarHBondContact O-N 3.26Å
445T57.1Low75.1Confident30 Ų3088.3 Ų88.318%0.18440%0.399CS..PPolyproline II helixtrans-48.1127.8179.932.10000112.6Y441 Q476 P477 I480Y441-T445 HydrophobicContact CD2-CG2 3.93Å; Y441-T445 HydrophobicContact CE2-CG2 4.13Å; T445-Q476 WeakPolarHBondContact CG2-O 3.36Å; T445-Q476 PolarHBondContact OG1-O 2.97Å; T445-P477 PolarHBondContact N-O 3.21Å; T445-P477 VanDerWaalsContact OG1-C 3.29Å; T445-P477 PolarHBondContact OG1-O 3.22Å; T445-I480 HydrophobicContact CG2-CD1 4.08Å; T445-I480 HydrophobicContact CG2-CG1 3.79Å
446R60.5Low75.2Confident133 Ų13388 Ų8850%0.50239%0.394SS..PPolyproline II helixtrans-57.6136.3174.5-75.1-178.5169.7-172.9-2.4110.1R444 L448 E558R444-R446 PolarHBondContact O-N 3.26Å; R446-L448 PolarHBondContact O-N 3.25Å; R446-E558 IonicContact CZ-OE2 3.56Å; R446-E558 IonicContact NH1-OE2 2.75Å; R446-E558 PolarHBondContact NH1-OE2 2.84Å; R446-E558 IonicContact NH2-OE2 3.42Å; R446-E558 PolarHBondContact NH2-OE2 3.32Å
447E66.7Low75.2Confident192 Ų19294.9 Ų94.990%0.89742%0.423SS*.PPolyproline II helixtrans-57.9135164.3-75.1-172.2165.600109.6S449E447-S449 PolarHBondContact O-N 2.68Å; E447-S449 VanDerWaalsContact O-N 3.08Å
448L74.1Confident75.5Confident38 Ų3894.3 Ų94.320%0.19942%0.421CS..  trans-63.1113.3-179.9-73.4175.6000111.4R446 T452 K453 M456 I473 I475 L556R446-L448 PolarHBondContact O-N 3.25Å; L448-T452 HydrophobicContact CD2-CG2 3.72Å; L448-K453 HydrophobicContact CB-CD 4.42Å; L448-K453 VanDerWaalsContact CB-CE 3.48Å; L448-K453 HydrophobicContact CB-CG 4.07Å; L448-K453 HydrophobicContact CD1-CG 4.42Å; L448-K453 WeakPolarHBondContact O-CE 3.34Å; L448-M456 HydrophobicContact CD2-CE 3.75Å; L448-I473 HydrophobicContact CD1-CD1 4.15Å; L448-I473 HydrophobicContact CD2-CD1 3.95Å; L448-I475 HydrophobicContact CD1-CD1 3.4Å; L448-I475 HydrophobicContact CD1-CG1 4.44Å; L448-I475 HydrophobicContact CG-CD1 3.87Å; L448-L556 HydrophobicContact CD2-CD1 3.84Å; L448-L556 HydrophobicContact CD2-CD2 4.37Å; L448-L556 HydrophobicContact CD2-CG 4.34Å
449S80.2Confident76Confident33 Ų3391.5 Ų91.523%0.23141%0.407CS..  trans-60.5153.5174.892.10000111E447 A451 T452 K453 E555E447-S449 PolarHBondContact O-N 2.68Å; E447-S449 VanDerWaalsContact O-N 3.08Å; S449-A451 PolarHBondContact O-N 2.86Å; S449-A451 PolarHBondContact OG-N 3.49Å; S449-T452 PolarHBondContact O-N 3.32Å; S449-T452 PolarHBondContact OG-N 3.46Å; S449-T452 PolarHBondContact OG-OG1 3.08Å; S449-K453 PolarHBondContact O-N 2.7Å; S449-E555 WeakPolarHBondContact CB-OE1 3.36Å; S449-E555 VanDerWaalsContact OG-CD 3.24Å; S449-E555 PolarHBondContact OG-OE1 3.33Å; S449-E555 VanDerWaalsContact OG-OE1 3.09Å; S449-E555 PolarHBondContact OG-OE2 2.98Å
450R79Confident76.5Confident213 Ų21398.6 Ų98.680%0.80443%0.434SS*.Hα-helixtrans-58.1-35.1173.4-176.8176.2175.6163.1-1.1111.3I454R450-I454 HydrophobicContact CG-CD1 4.05Å; R450-I454 WeakPolarHBondContact O-CD1 3.36Å; R450-I454 VanDerWaalsContact O-CG1 3.25Å; R450-I454 WeakPolarHBondContact O-CG1 3.3Å; R450-I454 PolarHBondContact O-N 3.2Å; R450-I454 VanDerWaalsContact O-N 3.13Å
451A80.4Confident77.2Confident61 Ų6195.5 Ų95.550%0.50443%0.434SS..Hα-helixtrans-65.7-47.4178.500000111.2S449 K453 I454 E455S449-A451 PolarHBondContact O-N 2.86Å; S449-A451 PolarHBondContact OG-N 3.49Å; A451-K453 PolarHBondContact O-N 3.49Å; A451-I454 WeakPolarHBondContact O-CB 3.46Å; A451-I454 PolarHBondContact O-N 3.18Å; A451-E455 PolarHBondContact O-N 2.82Å
452T82.9Confident78.2Confident4 Ų495 Ų953%0.02543%0.433CS..Hα-helixtrans-58.9-44.9175.6-66.70000112.2L448 S449 I454 E455 M456 E555 L556L448-T452 HydrophobicContact CD2-CG2 3.72Å; S449-T452 PolarHBondContact O-N 3.32Å; S449-T452 PolarHBondContact OG-N 3.46Å; S449-T452 PolarHBondContact OG-OG1 3.08Å; T452-I454 VanDerWaalsContact C-N 3.29Å; T452-I454 PolarHBondContact O-N 2.79Å; T452-E455 WeakPolarHBondContact O-CB 3.4Å; T452-E455 PolarHBondContact O-N 2.91Å; T452-M456 HydrophobicContact CG2-CE 3.55Å; T452-M456 HydrophobicContact CG2-SD 4.4Å; T452-M456 WeakPolarHBondContact O-CG 3.11Å; T452-M456 PolarHBondContact O-N 3.5Å; T452-E555 PolarHBondContact OG1-OE2 3.39Å; T452-L556 HydrophobicContact CG2-CD1 3.35Å; T452-L556 HydrophobicContact CG2-CG 3.87Å
453K82.7Confident79.5Confident123 Ų12392.5 Ų92.554%0.53542%0.422SS..Hα-helixtrans-61.9-37.4177-68.7178.5-174.4176.40112.3L448 S449 A451 K457L448-K453 HydrophobicContact CB-CD 4.42Å; L448-K453 VanDerWaalsContact CB-CE 3.48Å; L448-K453 HydrophobicContact CB-CG 4.07Å; L448-K453 HydrophobicContact CD1-CG 4.42Å; L448-K453 WeakPolarHBondContact O-CE 3.34Å; S449-K453 PolarHBondContact O-N 2.7Å; A451-K453 PolarHBondContact O-N 3.49Å; K453-K457 PolarHBondContact O-N 3.32Å; K453-K457 VanDerWaalsContact O-N 3.15Å
454I85.7Confident81.2Confident84 Ų8486.8 Ų86.843%0.43140%0.398SS..Hα-helixtrans-66.8-44.7175.3-70.4166.6000110.2R450 A451 T452 M456 K457 K458R450-I454 HydrophobicContact CG-CD1 4.05Å; R450-I454 WeakPolarHBondContact O-CD1 3.36Å; R450-I454 VanDerWaalsContact O-CG1 3.25Å; R450-I454 WeakPolarHBondContact O-CG1 3.3Å; R450-I454 PolarHBondContact O-N 3.2Å; R450-I454 VanDerWaalsContact O-N 3.13Å; A451-I454 WeakPolarHBondContact O-CB 3.46Å; A451-I454 PolarHBondContact O-N 3.18Å; T452-I454 VanDerWaalsContact C-N 3.29Å; T452-I454 PolarHBondContact O-N 2.79Å; I454-M456 PolarHBondContact O-N 3.4Å; I454-K457 PolarHBondContact O-N 2.83Å; I454-K458 HydrophobicContact CG2-CD 4.43Å; I454-K458 WeakPolarHBondContact O-CG 3.38Å; I454-K458 PolarHBondContact O-N 3.26Å; I454-K458 VanDerWaalsContact O-N 3.1Å
455E87.9Confident82.9Confident32 Ų3282.8 Ų82.815%0.1539%0.393CS..Hα-helixtrans-57.5-47175.8-170.2-176-171.200111.4A451 T452 K457 K458 M459 I527 L553A451-E455 PolarHBondContact O-N 2.82Å; T452-E455 WeakPolarHBondContact O-CB 3.4Å; T452-E455 PolarHBondContact O-N 2.91Å; E455-K457 VanDerWaalsContact C-N 3.31Å; E455-K457 PolarHBondContact O-N 3.14Å; E455-K458 WeakPolarHBondContact O-CA 3.4Å; E455-K458 WeakPolarHBondContact O-CB 3.46Å; E455-K458 PolarHBondContact O-N 2.81Å; E455-K458 VanDerWaalsContact O-N 3.09Å; E455-M459 HydrophobicContact CG-SD 4.35Å; E455-M459 WeakPolarHBondContact O-CG 3.45Å; E455-M459 PolarHBondContact O-N 3.42Å; E455-I527 HydrophobicContact CG-CD1 4.05Å; E455-L553 PolarHBondContact OE1-N 2.89Å
456M88.1Confident84.8Confident23 Ų2381.6 Ų81.611%0.11339%0.385CS..Hα-helixtrans-58.4-41.3176-71.5172.3-178.600113L448 T452 I454 K458 M459 R460 F470 I473 L553 L556L448-M456 HydrophobicContact CD2-CE 3.75Å; T452-M456 HydrophobicContact CG2-CE 3.55Å; T452-M456 HydrophobicContact CG2-SD 4.4Å; T452-M456 WeakPolarHBondContact O-CG 3.11Å; T452-M456 PolarHBondContact O-N 3.5Å; I454-M456 PolarHBondContact O-N 3.4Å; M456-K458 VanDerWaalsContact C-N 3.28Å; M456-K458 PolarHBondContact O-N 3.02Å; M456-M459 PolarHBondContact O-N 3.46Å; M456-R460 WeakPolarHBondContact O-CB 3.33Å; M456-R460 PolarHBondContact O-N 2.85Å; M456-F470 HydrophobicContact CB-CE1 4.24Å; M456-F470 HydrophobicContact CB-CZ 4.48Å; M456-F470 HydrophobicContact CG-CE1 4.47Å; M456-F470 HydrophobicContact CG-CZ 4.22Å; M456-I473 HydrophobicContact CE-CD1 3.25Å; M456-I473 HydrophobicContact CE-CG1 3.74Å; M456-I473 HydrophobicContact CE-CG2 4.14Å; M456-I473 HydrophobicContact SD-CD1 4.09Å; M456-I473 HydrophobicContact SD-CG1 4.09Å; M456-L553 HydrophobicContact CE-CD2 3.79Å; M456-L553 HydrophobicContact CG-CD2 3.73Å; M456-L556 HydrophobicContact CE-CD1 3.14Å
457K86.7Confident86.4Confident156 Ų15675.7 Ų75.768%0.67836%0.364SS*.Hα-helixtrans-62.6-39.6177.6-170.8177179.2-179.20110.9K453 I454 E455 S461K453-K457 PolarHBondContact O-N 3.32Å; K453-K457 VanDerWaalsContact O-N 3.15Å; I454-K457 PolarHBondContact O-N 2.83Å; E455-K457 VanDerWaalsContact C-N 3.31Å; E455-K457 PolarHBondContact O-N 3.14Å; K457-S461 PolarHBondContact O-N 3.37Å
458K89.7Confident87.8Confident69 Ų6966.7 Ų66.730%0.332%0.322SS..Hα-helixtrans-64.7-49174.2-63.9172.7-178.7-135.40111I454 E455 M456 R460 S461 L462 E526 I527I454-K458 HydrophobicContact CG2-CD 4.43Å; I454-K458 WeakPolarHBondContact O-CG 3.38Å; I454-K458 PolarHBondContact O-N 3.26Å; I454-K458 VanDerWaalsContact O-N 3.1Å; E455-K458 WeakPolarHBondContact O-CA 3.4Å; E455-K458 WeakPolarHBondContact O-CB 3.46Å; E455-K458 PolarHBondContact O-N 2.81Å; E455-K458 VanDerWaalsContact O-N 3.09Å; M456-K458 VanDerWaalsContact C-N 3.28Å; M456-K458 PolarHBondContact O-N 3.02Å; K458-R460 VanDerWaalsContact C-N 3.32Å; K458-R460 PolarHBondContact O-N 3.25Å; K458-S461 PolarHBondContact O-N 3.42Å; K458-S461 PolarHBondContact O-OG 2.85Å; K458-L462 PolarHBondContact O-N 3.42Å; K458-E526 HydrophobicContact CD-CB 4.07Å; K458-E526 VanDerWaalsContact CD-OE2 3.27Å; K458-E526 WeakPolarHBondContact CD-OE2 3.41Å; K458-E526 WeakPolarHBondContact CE-OE2 3.44Å; K458-E526 IonicContact NZ-OE2 3.03Å; K458-E526 PolarHBondContact NZ-OE2 3.34Å; K458-I527 HydrophobicContact CB-CD1 4.02Å
459M91.4Very high88.6Confident1 Ų169.9 Ų69.91%0.00533%0.331CS..Hα-helixtrans-56.4-44.8177.9-68.6175.965.100112.2E455 M456 S461 L462 F470 I527 F551 L553E455-M459 HydrophobicContact CG-SD 4.35Å; E455-M459 WeakPolarHBondContact O-CG 3.45Å; E455-M459 PolarHBondContact O-N 3.42Å; M456-M459 PolarHBondContact O-N 3.46Å; M459-S461 PolarHBondContact O-N 3.34Å; M459-L462 WeakPolarHBondContact O-CB 3.47Å; M459-L462 PolarHBondContact O-N 2.96Å; M459-L462 VanDerWaalsContact O-N 3.16Å; M459-F470 HydrophobicContact CB-CB 4.27Å; M459-F470 HydrophobicContact CB-CD1 3.76Å; M459-F470 HydrophobicContact CB-CE1 4.3Å; M459-F470 HydrophobicContact CB-CG 4.08Å; M459-F470 HydrophobicContact CE-CB 4.33Å; M459-F470 HydrophobicContact CE-CD2 3.83Å; M459-F470 HydrophobicContact CE-CE2 4.24Å; M459-F470 HydrophobicContact CE-CG 4Å; M459-I527 HydrophobicContact CG-CD1 3.68Å; M459-I527 HydrophobicContact CG-CG1 4.21Å; M459-F551 HydrophobicContact CE-CD2 4.21Å; M459-F551 HydrophobicContact CE-CE2 4.13Å; M459-F551 WeakPolarHBondContact CE-O 3.12Å; M459-F551 HydrophobicContact CG-CE2 4.38Å; M459-L553 HydrophobicContact CE-CD1 4.42Å; M459-L553 HydrophobicContact CE-CD2 4.49Å; M459-L553 HydrophobicContact CE-CG 4.01Å; M459-L553 HydrophobicContact SD-CD2 3.75Å; M459-L553 HydrophobicContact SD-CG 3.78Å
460R89.1Confident89.2Confident151 Ų15168.6 Ų68.657%0.5732%0.321SS*.Hα-helixtrans-65.8-21.4179-161.6177.573.1177.64113.5M456 K458 F470M456-R460 WeakPolarHBondContact O-CB 3.33Å; M456-R460 PolarHBondContact O-N 2.85Å; K458-R460 VanDerWaalsContact C-N 3.32Å; K458-R460 PolarHBondContact O-N 3.25Å; R460-F470 HydrophobicContact CB-CD1 4.12Å
461S89.7Confident89.8Confident76 Ų7660.2 Ų60.253%0.53129%0.292SS..Hα-helixtrans-85-11.4176.964.40000114.1K457 K458 M459 H463K457-S461 PolarHBondContact O-N 3.37Å; K458-S461 PolarHBondContact O-N 3.42Å; K458-S461 PolarHBondContact O-OG 2.85Å; M459-S461 PolarHBondContact O-N 3.34Å; S461-H463 PolarHBondContact O-ND1 3.33Å
462L91.8Very high90.2Very high18 Ų1858.2 Ų58.29%0.09428%0.278CS..  trans-72.3130179.3-61.9178.5000111.1K458 M459 Y521 L522 I527 F551K458-L462 PolarHBondContact O-N 3.42Å; M459-L462 WeakPolarHBondContact O-CB 3.47Å; M459-L462 PolarHBondContact O-N 2.96Å; M459-L462 VanDerWaalsContact O-N 3.16Å; L462-Y521 HydrophobicContact CB-CE1 4.23Å; L462-Y521 HydrophobicContact CD2-CE1 4.02Å; L462-L522 HydrophobicContact CD1-CD1 3.94Å; L462-I527 HydrophobicContact CD1-CG1 3.93Å; L462-F551 HydrophobicContact CD1-CE2 3.69Å; L462-F551 HydrophobicContact CD1-CZ 4.11Å
463H90.7Very high90.4Very high105 Ų10559.8 Ų59.849%0.48629%0.286SS..  trans-138.2114.1177.6-6871.1000108.9S461 R469 Y521S461-H463 PolarHBondContact O-ND1 3.33Å; H463-R469 PolarHBondContact CD2-NH1 3.33Å; H463-R469 VanDerWaalsContact NE2-CZ 3.33Å; H463-R469 PolarHBondContact NE2-NH1 3.02Å; H463-R469 PolarHBondContact NE2-NH2 2.79Å; H463-R469 VanDerWaalsContact NE2-NH2 3.18Å; H463-Y521 PolarHBondContact N-OH 2.97Å; H463-Y521 PolarHBondContact O-OH 3.11Å
464H94.9Very high90.5Very high61 Ų6155.6 Ų55.628%0.28227%0.269SS..BIsolated β-bridgetrans-159.7143.3175.7-176.4-88.1000109.1N466 V467 Y521H464-N466 PolarHBondContact CE1-OD1 2.88Å; H464-N466 PolarHBondContact ND1-N 3.04Å; H464-N466 PolarHBondContact O-N 2.87Å; H464-N466 VanDerWaalsContact O-N 3.13Å; H464-V467 HydrophobicContact CB-CB 4.1Å; H464-V467 HydrophobicContact CB-CG2 4.02Å; H464-V467 PolarHBondContact O-N 3.18Å; H464-Y521 HydrophobicContact CB-CD1 3.7Å; H464-Y521 HydrophobicContact CB-CD2 3.98Å; H464-Y521 HydrophobicContact CB-CE1 3.77Å; H464-Y521 HydrophobicContact CB-CE2 4.05Å; H464-Y521 HydrophobicContact CB-CG 3.81Å; H464-Y521 AromaticContact CD2-CD2 3.6Å; H464-Y521 AromaticContact CD2-CG 3.74Å; H464-Y521 AromaticContact CG-CD2 3.96Å; H464-Y521 AromaticContact CG-CG 3.75Å
465D92.1Very high90.1Very high135 Ų13555.6 Ų55.672%0.72227%0.269SS*.THydrogen-bonded Turntrans-57.5-34.5-174.2-64.1-20000112.9Q547D465-Q547 WeakPolarHBondContact O-CG 3.38Å; D465-Q547 PolarHBondContact O-NE2 2.99Å
466N95.7Very high89.5Confident6 Ų657 Ų573%0.03228%0.275CS..THydrogen-bonded Turntrans-99.416.8179.3-50.6114.4000114.8H464 D514 K517 S545 L546 Q547 V548H464-N466 PolarHBondContact CE1-OD1 2.88Å; H464-N466 PolarHBondContact ND1-N 3.04Å; H464-N466 PolarHBondContact O-N 2.87Å; H464-N466 VanDerWaalsContact O-N 3.13Å; N466-D514 VanDerWaalsContact CB-O 3.23Å; N466-D514 WeakPolarHBondContact CB-O 3.23Å; N466-D514 WeakPolarHBondContact ND2-CB 3.3Å; N466-D514 PolarHBondContact ND2-OD1 2.94Å; N466-D514 VanDerWaalsContact ND2-OD1 3.08Å; N466-D514 PolarHBondContact ND2-OD2 3.37Å; N466-K517 WeakPolarHBondContact OD1-CB 3.49Å; N466-K517 WeakPolarHBondContact OD1-CD 3.33Å; N466-S545 PolarHBondContact ND2-OG 3.25Å; N466-L546 WeakPolarHBondContact CA-O 3.43Å; N466-L546 WeakPolarHBondContact CB-O 2.83Å; N466-L546 PolarHBondContact ND2-O 2.86Å; N466-Q547 WeakPolarHBondContact O-CA 3.44Å; N466-V548 PolarHBondContact O-N 2.76Å
467V95.8Very high88.7Confident8 Ų859.9 Ų59.95%0.04830%0.296CS..BIsolated β-bridgetrans-123.4118.3173.4178.20000108.7H464 R469 Y521 F551H464-V467 HydrophobicContact CB-CB 4.1Å; H464-V467 HydrophobicContact CB-CG2 4.02Å; H464-V467 PolarHBondContact O-N 3.18Å; V467-R469 PolarHBondContact O-N 3.44Å; V467-Y521 HydrophobicContact CG2-CD1 3.73Å; V467-Y521 HydrophobicContact CG2-CE1 4.35Å; V467-F551 HydrophobicContact CG1-CD1 4.46Å; V467-F551 HydrophobicContact CG1-CE1 3.4Å; V467-F551 VanDerWaalsContact CG1-CE1 3.4Å; V467-F551 HydrophobicContact CG1-CZ 3.49Å; V467-F551 VanDerWaalsContact CG1-CZ 3.49Å
468N94.4Very high87.9Confident3 Ų357 Ų572%0.01629%0.288CS..PPolyproline II helixtrans-67.8130.4-176.3-177.1-103.6000110.2F470 R484 E485 Q547 V548N468-F470 PolarHBondContact O-N 2.94Å; N468-R484 WeakPolarHBondContact OD1-CB 3.3Å; N468-E485 PolarHBondContact ND2-O 3.41Å; N468-Q547 HydrophobicContact CB-CB 3.9Å; N468-Q547 PolarHBondContact ND2-OE1 3.2Å; N468-V548 WeakPolarHBondContact CB-O 3.35Å; N468-V548 PolarHBondContact N-O 2.95Å
469R92.4Very high87.3Confident105 Ų10556.5 Ų56.540%0.39629%0.286SS..PPolyproline II helixtrans-72.1120.1-168.9-172.6-175.8179.3106.711.5111.3H463 V467 R484 E485H463-R469 PolarHBondContact CD2-NH1 3.33Å; H463-R469 VanDerWaalsContact NE2-CZ 3.33Å; H463-R469 PolarHBondContact NE2-NH1 3.02Å; H463-R469 PolarHBondContact NE2-NH2 2.79Å; H463-R469 VanDerWaalsContact NE2-NH2 3.18Å; V467-R469 PolarHBondContact O-N 3.44Å; R469-R484 WeakPolarHBondContact O-CA 3.19Å; R469-E485 HydrophobicContact CB-CB 4.08Å; R469-E485 WeakPolarHBondContact CB-OE2 3.21Å; R469-E485 PolarHBondContact O-N 3.35Å; R469-E485 VanDerWaalsContact O-N 3.09Å
470F92.3Very high86.8Confident6 Ų656.5 Ų56.53%0.02629%0.286CS..EExtended strand (participates in β ladder)trans-77.1124.6169.4173.7-98.5000110.3M456 M459 R460 N468 G472 I473 V482 L553M456-F470 HydrophobicContact CB-CE1 4.24Å; M456-F470 HydrophobicContact CB-CZ 4.48Å; M456-F470 HydrophobicContact CG-CE1 4.47Å; M456-F470 HydrophobicContact CG-CZ 4.22Å; M459-F470 HydrophobicContact CB-CB 4.27Å; M459-F470 HydrophobicContact CB-CD1 3.76Å; M459-F470 HydrophobicContact CB-CE1 4.3Å; M459-F470 HydrophobicContact CB-CG 4.08Å; M459-F470 HydrophobicContact CE-CB 4.33Å; M459-F470 HydrophobicContact CE-CD2 3.83Å; M459-F470 HydrophobicContact CE-CE2 4.24Å; M459-F470 HydrophobicContact CE-CG 4Å; R460-F470 HydrophobicContact CB-CD1 4.12Å; N468-F470 PolarHBondContact O-N 2.94Å; F470-G472 VanDerWaalsContact CE2-O 3.31Å; F470-G472 WeakPolarHBondContact CE2-O 3.32Å; F470-I473 HydrophobicContact CE2-CG2 3.99Å; F470-I473 HydrophobicContact CZ-CG2 3.99Å; F470-V482 HydrophobicContact CD2-CG1 4.04Å; F470-V482 HydrophobicContact CE2-CG1 3.84Å; F470-L553 HydrophobicContact CE2-CD1 4.22Å
471I90.5Very high86.7Confident37 Ų3749.3 Ų49.319%0.1926%0.259CS..EExtended strand (participates in β ladder)trans-96.7-49.3-178.5-61.8174.8000109.8Y429 V434 V483Y429-I471 HydrophobicContact CD1-CG2 3.88Å; Y429-I471 HydrophobicContact CE1-CG2 3.82Å; Y429-I471 HydrophobicContact CG-CG2 4.46Å; V434-I471 HydrophobicContact CB-CD1 4.22Å; V434-I471 HydrophobicContact CG1-CD1 3.31Å; I471-V483 HydrophobicContact CB-CB 4.42Å; I471-V483 HydrophobicContact CB-CG1 4.17Å; I471-V483 WeakPolarHBondContact CB-O 3.45Å; I471-V483 HydrophobicContact CD1-CG1 4.34Å; I471-V483 HydrophobicContact CG2-CG1 4.34Å; I471-V483 PolarHBondContact N-O 3.36Å
472G89.2Confident86.6Confident20 Ų2045.8 Ų45.821%0.20623%0.234CC..EExtended strand (participates in β ladder)trans173.4-164.7-178.100000113.1F470 V483F470-G472 VanDerWaalsContact CE2-O 3.31Å; F470-G472 WeakPolarHBondContact CE2-O 3.32Å; G472-V483 PolarHBondContact N-O 2.91Å; G472-V483 PolarHBondContact O-N 3.01Å
473I87.5Confident86.5Confident36 Ų3645.5 Ų45.519%0.18523%0.233CC..EExtended strand (participates in β ladder)trans-131.6154.5171.561154.8000110.6L448 M456 F470 I475 I480 C481 V482 L553 L556L448-I473 HydrophobicContact CD1-CD1 4.15Å; L448-I473 HydrophobicContact CD2-CD1 3.95Å; M456-I473 HydrophobicContact CE-CD1 3.25Å; M456-I473 HydrophobicContact CE-CG1 3.74Å; M456-I473 HydrophobicContact CE-CG2 4.14Å; M456-I473 HydrophobicContact SD-CD1 4.09Å; M456-I473 HydrophobicContact SD-CG1 4.09Å; F470-I473 HydrophobicContact CE2-CG2 3.99Å; F470-I473 HydrophobicContact CZ-CG2 3.99Å; I473-I475 HydrophobicContact CD1-CD1 4.29Å; I473-I475 HydrophobicContact CD1-CG1 3.8Å; I473-I475 HydrophobicContact CG1-CG1 4.48Å; I473-I480 HydrophobicContact CB-CG2 4.02Å; I473-I480 HydrophobicContact CD1-CG2 3.93Å; I473-I480 HydrophobicContact CG2-CG2 4.31Å; I473-C481 CarbonylContact C-O 3.58Å; I473-C481 WeakPolarHBondContact CA-O 3.42Å; I473-C481 WeakPolarHBondContact CB-O 3.46Å; I473-V482 HydrophobicContact CG2-CG2 4.14Å; I473-L553 HydrophobicContact CG2-CD1 4.3Å; I473-L556 HydrophobicContact CD1-CD1 4.35Å
474I84.4Confident86.6Confident35 Ų3541 Ų4118%0.17921%0.211CC..EExtended strand (participates in β ladder)trans-111.6127.3169.9-52.3168.9000106.4Q476 I480 C481 V483I474-Q476 HydrophobicContact CG2-CG 4.45Å; I474-I480 CarbonylContact O-C 3.59Å; I474-I480 WeakPolarHBondContact O-CA 3.36Å; I474-C481 HydrophobicContact CB-CB 4.08Å; I474-C481 HydrophobicContact CD1-CB 4.43Å; I474-C481 PolarHBondContact N-O 2.75Å; I474-C481 PolarHBondContact O-N 2.94Å; I474-V483 HydrophobicContact CD1-CG2 3.83Å; I474-V483 HydrophobicContact CG1-CG2 3.87Å
475I78.5Confident86.4Confident85 Ų8542.2 Ų42.244%0.43622%0.217SC..EExtended strand (participates in β ladder)trans-102.4120.8-178.4-53.1168.4000107.7L448 I473 I480L448-I475 HydrophobicContact CD1-CD1 3.4Å; L448-I475 HydrophobicContact CD1-CG1 4.44Å; L448-I475 HydrophobicContact CG-CD1 3.87Å; I473-I475 HydrophobicContact CD1-CD1 4.29Å; I473-I475 HydrophobicContact CD1-CG1 3.8Å; I473-I475 HydrophobicContact CG1-CG1 4.48Å; I475-I480 HydrophobicContact CG2-CG1 4.42Å
476Q75.9Confident86.2Confident61 Ų6140 Ų4029%0.28520%0.199SC..  trans-117.9161.1173.8-66.3-69.1-300109.5T445 I474 N478 F479T445-Q476 WeakPolarHBondContact CG2-O 3.36Å; T445-Q476 PolarHBondContact OG1-O 2.97Å; I474-Q476 HydrophobicContact CG2-CG 4.45Å; Q476-N478 PolarHBondContact O-N 2.81Å; Q476-F479 CarbonylContact C-O 3.45Å; Q476-F479 WeakPolarHBondContact CA-O 3.22Å; Q476-F479 HydrophobicContact CB-CD1 4.03Å; Q476-F479 HydrophobicContact CB-CD2 3.87Å; Q476-F479 HydrophobicContact CB-CE1 3.82Å; Q476-F479 HydrophobicContact CB-CE2 3.67Å; Q476-F479 HydrophobicContact CB-CG 4.05Å; Q476-F479 HydrophobicContact CB-CZ 3.64Å; Q476-F479 WeakPolarHBondContact CB-O 3.17Å; Q476-F479 HydrophobicContact CG-CD2 4.1Å; Q476-F479 HydrophobicContact CG-CE1 4.29Å; Q476-F479 HydrophobicContact CG-CE2 3.49Å; Q476-F479 VanDerWaalsContact CG-CE2 3.49Å; Q476-F479 HydrophobicContact CG-CZ 3.6Å; Q476-F479 PolarHBondContact N-O 3.14Å; Q476-F479 PolarHBondContact O-N 3.31Å
477P70Confident85.8Confident83 Ų8340.1 Ų40.154%0.53920%0.201SC..SBendtrans-56.8-29-171.6-28.235.2000116.2T445T445-P477 PolarHBondContact N-O 3.21Å; T445-P477 VanDerWaalsContact OG1-C 3.29Å; T445-P477 PolarHBondContact OG1-O 3.22Å
478N70.8Confident84.9Confident95 Ų9541.9 Ų41.951%0.50822%0.216SC..SBendtrans-126-2.8-175-65.6-24000113.9Y441 Q476Y441-N478 PolarHBondContact N-O 3.44Å; Q476-N478 PolarHBondContact O-N 2.81Å
479F77.2Confident84.3Confident59 Ų5946.3 Ų46.326%0.25924%0.235SC..EExtended strand (participates in β ladder)trans-153.7160-179.161.3-90.5000111.6E438 I439 R440 Q476 C481E438-F479 HydrophobicContact CG-CB 4.01Å; E438-F479 HydrophobicContact CG-CD2 3.65Å; E438-F479 HydrophobicContact CG-CE2 4.39Å; E438-F479 HydrophobicContact CG-CG 4.07Å; E438-F479 VanDerWaalsContact OE1-CB 3.23Å; E438-F479 WeakPolarHBondContact OE1-CB 3.45Å; E438-F479 VanDerWaalsContact OE1-CG 3.22Å; E438-F479 WeakPolarHBondContact OE1-CG 3.38Å; I439-F479 CarbonylContact O-C 3.43Å; I439-F479 VanDerWaalsContact O-CA 3.32Å; I439-F479 WeakPolarHBondContact O-CA 3Å; R440-F479 HydrophobicContact CG-CB 4.14Å; Q476-F479 CarbonylContact C-O 3.45Å; Q476-F479 WeakPolarHBondContact CA-O 3.22Å; Q476-F479 HydrophobicContact CB-CD1 4.03Å; Q476-F479 HydrophobicContact CB-CD2 3.87Å; Q476-F479 HydrophobicContact CB-CE1 3.82Å; Q476-F479 HydrophobicContact CB-CE2 3.67Å; Q476-F479 HydrophobicContact CB-CG 4.05Å; Q476-F479 HydrophobicContact CB-CZ 3.64Å; Q476-F479 WeakPolarHBondContact CB-O 3.17Å; Q476-F479 HydrophobicContact CG-CD2 4.1Å; Q476-F479 HydrophobicContact CG-CE1 4.29Å; Q476-F479 HydrophobicContact CG-CE2 3.49Å; Q476-F479 VanDerWaalsContact CG-CE2 3.49Å; Q476-F479 HydrophobicContact CG-CZ 3.6Å; Q476-F479 PolarHBondContact N-O 3.14Å; Q476-F479 PolarHBondContact O-N 3.31Å; F479-C481 VanDerWaalsContact CD2-SG 3.56Å; F479-C481 VanDerWaalsContact CE2-SG 3.52Å
480I80.8Confident83.9Confident2 Ų242.8 Ų42.81%0.0123%0.231CC..EExtended strand (participates in β ladder)trans-125131.7175.5-68.5174000108.1I439 Y441 T445 I473 I474 I475 L556I439-I480 PolarHBondContact N-O 3.13Å; I439-I480 PolarHBondContact O-N 3.03Å; Y441-I480 HydrophobicContact CE2-CB 4.09Å; Y441-I480 HydrophobicContact CE2-CD1 3.85Å; Y441-I480 HydrophobicContact CE2-CG1 3.85Å; T445-I480 HydrophobicContact CG2-CD1 4.08Å; T445-I480 HydrophobicContact CG2-CG1 3.79Å; I473-I480 HydrophobicContact CB-CG2 4.02Å; I473-I480 HydrophobicContact CD1-CG2 3.93Å; I473-I480 HydrophobicContact CG2-CG2 4.31Å; I474-I480 CarbonylContact O-C 3.59Å; I474-I480 WeakPolarHBondContact O-CA 3.36Å; I475-I480 HydrophobicContact CG2-CG1 4.42Å; I480-L556 HydrophobicContact CD1-CD2 3.16Å; I480-L556 HydrophobicContact CG1-CD2 4.46Å
481C86Confident83.8Confident0 Ų043 Ų430%023%0.233CC..EExtended strand (participates in β ladder)trans-101.3127.9176-52.10000109.9I436 K437 I473 I474 F479I436-C481 HydrophobicContact CG2-CB 3.5Å; K437-C481 CarbonylContact O-C 3.6Å; K437-C481 WeakPolarHBondContact O-CA 3.06Å; I473-C481 CarbonylContact C-O 3.58Å; I473-C481 WeakPolarHBondContact CA-O 3.42Å; I473-C481 WeakPolarHBondContact CB-O 3.46Å; I474-C481 HydrophobicContact CB-CB 4.08Å; I474-C481 HydrophobicContact CD1-CB 4.43Å; I474-C481 PolarHBondContact N-O 2.75Å; I474-C481 PolarHBondContact O-N 2.94Å; F479-C481 VanDerWaalsContact CD2-SG 3.56Å; F479-C481 VanDerWaalsContact CE2-SG 3.52Å
482V88.4Confident84Confident1 Ų141.2 Ų41.21%0.00622%0.224CC..EExtended strand (participates in β ladder)trans-94.9120175.6-178.10000109.6I436 K437 I439 F470 I473 R484 L553I436-V482 CarbonylContact C-O 3.52Å; I436-V482 WeakPolarHBondContact CA-O 3.48Å; K437-V482 PolarHBondContact N-O 2.89Å; K437-V482 PolarHBondContact O-N 3.28Å; I439-V482 HydrophobicContact CD1-CG2 3.69Å; I439-V482 HydrophobicContact CG1-CG2 4.38Å; F470-V482 HydrophobicContact CD2-CG1 4.04Å; F470-V482 HydrophobicContact CE2-CG1 3.84Å; I473-V482 HydrophobicContact CG2-CG2 4.14Å; V482-R484 HydrophobicContact CG1-CG 4.19Å; V482-R484 VanDerWaalsContact CG1-NH2 3.34Å; V482-L553 HydrophobicContact CG1-CD1 4.2Å; V482-L553 HydrophobicContact CG2-CD1 3.8Å
483V90.4Very high84.1Confident12 Ų1241.5 Ų41.57%0.07322%0.22CC..EExtended strand (participates in β ladder)trans-101.3128.2-175.9-171.10000110.3V434 A435 I436 I471 G472 I474V434-V483 HydrophobicContact CB-CG1 3.82Å; V434-V483 HydrophobicContact CG1-CG1 4.28Å; V434-V483 HydrophobicContact CG2-CG1 3.76Å; A435-V483 CarbonylContact O-C 3.52Å; A435-V483 WeakPolarHBondContact O-CA 3.46Å; I436-V483 HydrophobicContact CG1-CG1 4.48Å; I436-V483 HydrophobicContact CG1-CG2 4.39Å; I471-V483 HydrophobicContact CB-CB 4.42Å; I471-V483 HydrophobicContact CB-CG1 4.17Å; I471-V483 WeakPolarHBondContact CB-O 3.45Å; I471-V483 HydrophobicContact CD1-CG1 4.34Å; I471-V483 HydrophobicContact CG2-CG1 4.34Å; I471-V483 PolarHBondContact N-O 3.36Å; G472-V483 PolarHBondContact N-O 2.91Å; G472-V483 PolarHBondContact O-N 3.01Å; I474-V483 HydrophobicContact CD1-CG2 3.83Å; I474-V483 HydrophobicContact CG1-CG2 3.87Å
484R91.7Very high84Confident10 Ų1043.9 Ų43.94%0.03823%0.233CC..EExtended strand (participates in β ladder)trans-139.1167.6-174.7-52.3174.9-169.6-88.5-9.2111V434 A435 N468 R469 V482 D550V434-R484 CarbonylContact C-O 3.37Å; V434-R484 VanDerWaalsContact CA-O 3.24Å; V434-R484 WeakPolarHBondContact CA-O 3.43Å; V434-R484 VanDerWaalsContact CB-O 3.22Å; V434-R484 WeakPolarHBondContact CB-O 3.34Å; A435-R484 PolarHBondContact N-O 3.16Å; A435-R484 PolarHBondContact O-N 3.38Å; N468-R484 WeakPolarHBondContact OD1-CB 3.3Å; R469-R484 WeakPolarHBondContact O-CA 3.19Å; V482-R484 HydrophobicContact CG1-CG 4.19Å; V482-R484 VanDerWaalsContact CG1-NH2 3.34Å; R484-D550 VanDerWaalsContact CZ-CA 3.45Å; R484-D550 IonicContact CZ-OD1 2.84Å; R484-D550 IonicContact NE-OD1 2.66Å; R484-D550 VanDerWaalsContact NH1-CA 3.32Å; R484-D550 IonicContact NH2-OD1 2.67Å; R484-D550 PolarHBondContact NH2-OD1 2.95Å
485E90.2Very high84.1Confident88 Ų8842.4 Ų42.441%0.41123%0.225SC..EExtended strand (participates in β ladder)trans-69.2135.4172.1-173.4171.9-176.100111.8N468 R469N468-E485 PolarHBondContact ND2-O 3.41Å; R469-E485 HydrophobicContact CB-CB 4.08Å; R469-E485 WeakPolarHBondContact CB-OE2 3.21Å; R469-E485 PolarHBondContact O-N 3.35Å; R469-E485 VanDerWaalsContact O-N 3.09Å
486Y88.3Confident84.6Confident87 Ų8738.6 Ų38.634%0.34121%0.206SC..  trans-74.3142.7-178.8173.4-110.8000112.9L426 L433 A488L426-Y486 HydrophobicContact CD1-CE2 4.29Å; L426-Y486 HydrophobicContact CD2-CD2 3.25Å; L426-Y486 HydrophobicContact CD2-CE2 3.45Å; L426-Y486 VanDerWaalsContact CD2-CE2 3.45Å; L426-Y486 HydrophobicContact CD2-CG 4.2Å; L433-Y486 HydrophobicContact CB-CD1 4.22Å; L433-Y486 HydrophobicContact CB-CG 4.4Å; L433-Y486 HydrophobicContact CD2-CD1 3.38Å; L433-Y486 HydrophobicContact CD2-CD2 4.13Å; L433-Y486 HydrophobicContact CD2-CE1 3.59Å; L433-Y486 HydrophobicContact CD2-CE2 4.31Å; L433-Y486 HydrophobicContact CD2-CG 3.65Å; L433-Y486 HydrophobicContact CG-CD1 4.38Å; L433-Y486 HydrophobicContact CG-CG 4.47Å; L433-Y486 WeakPolarHBondContact O-CB 3.25Å; Y486-A488 VanDerWaalsContact CE1-CA 3.48Å; Y486-A488 HydrophobicContact CE1-CB 3.85Å
487C86.7Confident84.9Confident10 Ų1038.3 Ų38.37%0.06821%0.206CC..  trans-120.6109.5177.5-82.10000110.3K489 G490 C539 I540C487-K489 PolarHBondContact O-N 3.05Å; C487-G490 PolarHBondContact O-N 2.89Å; C487-G490 VanDerWaalsContact O-N 3.15Å; C487-C539 HydrophobicContact CB-CB 3.56Å; C487-C539 WeakPolarHBondContact SG-CB 3.26Å; C487-I540 CarbonylContact C-O 3.55Å; C487-I540 WeakPolarHBondContact CB-O 3.24Å
488A77.8Confident85.2Confident44 Ų4436 Ų3636%0.36419%0.189SC..THydrogen-bonded Turntrans-65.9-10.9-167.200000116.8Y486Y486-A488 VanDerWaalsContact CE1-CA 3.48Å; Y486-A488 HydrophobicContact CE1-CB 3.85Å
489K81.1Confident85.4Confident97 Ų9737 Ų3742%0.42220%0.195SC..THydrogen-bonded Turntrans-107.511.4179.3-58.9-59179.8-163.90112.8C487 I540 T541C487-K489 PolarHBondContact O-N 3.05Å; K489-I540 HydrophobicContact CB-CB 3.82Å; K489-I540 HydrophobicContact CB-CG2 3.75Å; K489-I540 WeakPolarHBondContact CB-O 3.37Å; K489-I540 HydrophobicContact CG-CG2 4.26Å; K489-I540 PolarHBondContact N-O 3.32Å; K489-T541 WeakPolarHBondContact CG-O 3.5Å
490G84.4Confident85Confident30 Ų3041.1 Ų41.131%0.30922%0.22SC..  trans73.9-152.1-179.700000112.2C487 C539 I540C487-G490 PolarHBondContact O-N 2.89Å; C487-G490 VanDerWaalsContact O-N 3.15Å; G490-C539 WeakPolarHBondContact O-CA 3.35Å; G490-I540 PolarHBondContact O-N 2.96Å
491S90.8Very high84.5Confident10 Ų1043 Ų437%0.0723%0.229CC..BIsolated β-bridgetrans-89.4163.6175.8740000112.2F493 D494 V495 T536 C538S491-F493 PolarHBondContact O-N 3.05Å; S491-F493 PolarHBondContact OG-N 2.66Å; S491-D494 WeakPolarHBondContact CA-OD2 3.35Å; S491-D494 WeakPolarHBondContact CB-OD2 3.39Å; S491-D494 PolarHBondContact N-OD2 3.4Å; S491-D494 WeakPolarHBondContact O-CB 3.38Å; S491-D494 PolarHBondContact O-N 3.36Å; S491-D494 VanDerWaalsContact O-N 3.08Å; S491-D494 PolarHBondContact OG-N 3.33Å; S491-D494 PolarHBondContact OG-OD2 2.93Å; S491-V495 PolarHBondContact O-N 3.31Å; S491-V495 VanDerWaalsContact O-N 3.16Å; S491-T536 WeakPolarHBondContact CB-O 3.5Å; S491-C538 CarbonylContact C-O 3.55Å; S491-C538 VanDerWaalsContact CA-O 3.28Å; S491-C538 WeakPolarHBondContact CA-O 3.22Å
492L94.1Very high83.9Confident0 Ų049.8 Ų49.80%026%0.258CS..Hα-helixtrans-58-36.9173.8176.964.7000110.3D494 V495 L496 F511 S535 C538 I540 L546 V600 I604L492-D494 VanDerWaalsContact C-N 3.31Å; L492-D494 PolarHBondContact O-N 2.89Å; L492-V495 PolarHBondContact O-N 3.33Å; L492-L496 HydrophobicContact CD1-CD1 4.17Å; L492-L496 HydrophobicContact CD1-CD2 4.47Å; L492-L496 HydrophobicContact CD1-CG 4.07Å; L492-L496 HydrophobicContact CD2-CD1 4.42Å; L492-L496 HydrophobicContact CG-CD1 3.84Å; L492-L496 HydrophobicContact CG-CG 4.21Å; L492-L496 WeakPolarHBondContact O-CB 3.22Å; L492-L496 WeakPolarHBondContact O-CG 3.4Å; L492-L496 PolarHBondContact O-N 2.8Å; L492-F511 HydrophobicContact CD1-CD2 3.82Å; L492-F511 HydrophobicContact CD1-CE2 4.19Å; L492-F511 HydrophobicContact CD1-CG 4.25Å; L492-S535 PolarHBondContact N-O 3.35Å; L492-C538 HydrophobicContact CB-CB 3.86Å; L492-C538 HydrophobicContact CD2-CB 4.33Å; L492-C538 PolarHBondContact N-O 2.83Å; L492-I540 HydrophobicContact CB-CD1 4.4Å; L492-I540 HydrophobicContact CD1-CD1 4.42Å; L492-L546 HydrophobicContact CB-CD1 4.44Å; L492-L546 HydrophobicContact CD1-CD1 4.33Å; L492-L546 HydrophobicContact CD2-CD1 3.94Å; L492-L546 HydrophobicContact CG-CD1 4.47Å; L492-V600 HydrophobicContact CD2-CG1 3.77Å; L492-I604 HydrophobicContact CD2-CD1 3.96Å; L492-I604 HydrophobicContact CD2-CG1 3.92Å
493F90.9Very high83.4Confident27 Ų2750.7 Ų50.712%0.11826%0.263CS..Hα-helixtrans-56.6-45174.5-176.1-101.1000111.9S491 V495 L496 L497 S535 T536S491-F493 PolarHBondContact O-N 3.05Å; S491-F493 PolarHBondContact OG-N 2.66Å; F493-V495 PolarHBondContact O-N 2.93Å; F493-L496 PolarHBondContact O-N 3.49Å; F493-L497 HydrophobicContact CD1-CD1 3.62Å; F493-L497 HydrophobicContact CD2-CD1 4.26Å; F493-L497 HydrophobicContact CE1-CD1 3.17Å; F493-L497 HydrophobicContact CE2-CD1 3.88Å; F493-L497 HydrophobicContact CG-CD1 4.16Å; F493-L497 HydrophobicContact CZ-CD1 3.32Å; F493-L497 PolarHBondContact O-N 3.33Å; F493-L497 VanDerWaalsContact O-N 3.12Å; F493-S535 PolarHBondContact N-O 2.79Å; F493-T536 HydrophobicContact CB-CG2 3.75Å; F493-T536 HydrophobicContact CD1-CG2 3.99Å; F493-T536 HydrophobicContact CD2-CG2 4.43Å; F493-T536 HydrophobicContact CG-CG2 3.82Å
494D85.8Confident83Confident85 Ų8552.4 Ų52.446%0.45527%0.272SS..Hα-helixtrans-66.5-39.4-179.5-52.6-46.4000112S491 L492S491-D494 WeakPolarHBondContact CA-OD2 3.35Å; S491-D494 WeakPolarHBondContact CB-OD2 3.39Å; S491-D494 PolarHBondContact N-OD2 3.4Å; S491-D494 WeakPolarHBondContact O-CB 3.38Å; S491-D494 PolarHBondContact O-N 3.36Å; S491-D494 VanDerWaalsContact O-N 3.08Å; S491-D494 PolarHBondContact OG-N 3.33Å; S491-D494 PolarHBondContact OG-OD2 2.93Å; L492-D494 VanDerWaalsContact C-N 3.31Å; L492-D494 PolarHBondContact O-N 2.89Å
495V87.1Confident82.7Confident4 Ų455.7 Ų55.72%0.02430%0.301CS..Hα-helixtrans-66.5-42.9176.5173.80000111.2S491 L492 F493 N498 I501 L503 F511 I540 W544 R607S491-V495 PolarHBondContact O-N 3.31Å; S491-V495 VanDerWaalsContact O-N 3.16Å; L492-V495 PolarHBondContact O-N 3.33Å; F493-V495 PolarHBondContact O-N 2.93Å; V495-N498 PolarHBondContact O-N 3.05Å; V495-I501 HydrophobicContact CG1-CD1 4.2Å; V495-I501 HydrophobicContact CG1-CG2 4.47Å; V495-L503 HydrophobicContact CG1-CD1 4.31Å; V495-L503 HydrophobicContact CG1-CD2 4.25Å; V495-F511 HydrophobicContact CG1-CE2 4.33Å; V495-F511 HydrophobicContact CG1-CZ 4.47Å; V495-I540 HydrophobicContact CG2-CB 4.44Å; V495-I540 HydrophobicContact CG2-CG1 4.04Å; V495-W544 HydrophobicContact CG1-CZ3 3.93Å; V495-R607 PolarHBondContact O-NH2 3.12Å
496L88Confident82.3Confident5 Ų552.9 Ų52.93%0.02629%0.289CS..Hα-helixtrans-65.7-40.4-178.5-70.1172.5000112.1L492 F493 N498 L503 E603 I604 R607L492-L496 HydrophobicContact CD1-CD1 4.17Å; L492-L496 HydrophobicContact CD1-CD2 4.47Å; L492-L496 HydrophobicContact CD1-CG 4.07Å; L492-L496 HydrophobicContact CD2-CD1 4.42Å; L492-L496 HydrophobicContact CG-CD1 3.84Å; L492-L496 HydrophobicContact CG-CG 4.21Å; L492-L496 WeakPolarHBondContact O-CB 3.22Å; L492-L496 WeakPolarHBondContact O-CG 3.4Å; L492-L496 PolarHBondContact O-N 2.8Å; F493-L496 PolarHBondContact O-N 3.49Å; L496-N498 PolarHBondContact O-N 3.17Å; L496-L503 HydrophobicContact CD2-CD1 3.66Å; L496-E603 HydrophobicContact CD1-CB 4.17Å; L496-I604 HydrophobicContact CD1-CG1 4.1Å; L496-I604 HydrophobicContact CD2-CG1 4.47Å; L496-R607 HydrophobicContact CD2-CG 4.32Å; L496-R607 PolarHBondContact O-NE 2.9Å; L496-R607 PolarHBondContact O-NH2 3.45Å
497L81.6Confident82.2Confident55 Ų5549.3 Ų49.329%0.28828%0.275SS..THydrogen-bonded Turntrans-70-7.2176.8-89.4155000114.6F493 D499 C614F493-L497 HydrophobicContact CD1-CD1 3.62Å; F493-L497 HydrophobicContact CD2-CD1 4.26Å; F493-L497 HydrophobicContact CE1-CD1 3.17Å; F493-L497 HydrophobicContact CE2-CD1 3.88Å; F493-L497 HydrophobicContact CG-CD1 4.16Å; F493-L497 HydrophobicContact CZ-CD1 3.32Å; F493-L497 PolarHBondContact O-N 3.33Å; F493-L497 VanDerWaalsContact O-N 3.12Å; L497-D499 PolarHBondContact O-N 2.84Å; L497-C614 HydrophobicContact CD2-CB 4.46Å
498N77.4Confident82.4Confident35 Ų3549.9 Ų49.919%0.18728%0.277CS..  trans-95.696.1-179.4-164.8-0.9000112.6K169 V495 L496 N500 I501 R607K169-N498 PolarHBondContact NZ-OD1 2.82Å; K169-N498 VanDerWaalsContact NZ-OD1 3.13Å; V495-N498 PolarHBondContact O-N 3.05Å; L496-N498 PolarHBondContact O-N 3.17Å; N498-N500 PolarHBondContact O-N 3.07Å; N498-N500 VanDerWaalsContact O-N 3.1Å; N498-N500 PolarHBondContact OD1-N 3.3Å; N498-I501 HydrophobicContact CB-CD1 3.83Å; N498-I501 HydrophobicContact CB-CG1 4.07Å; N498-I501 WeakPolarHBondContact O-CB 3.47Å; N498-I501 PolarHBondContact O-N 3.08Å; N498-R607 PolarHBondContact O-NH2 2.85Å
499D74.1Confident83Confident117 Ų11748 Ų4863%0.62626%0.261SS*.THydrogen-bonded Turntrans-59-23.2179.7-62.4-25.9000114.4L497 I501L497-D499 PolarHBondContact O-N 2.84Å; D499-I501 PolarHBondContact O-N 3.35Å
500N68.6Low83.4Confident145 Ų14543.6 Ų43.678%0.77524%0.243SC*.THydrogen-bonded Turntrans-68.9-23.1176-65.6-15.1000112.1N498 K502N498-N500 PolarHBondContact O-N 3.07Å; N498-N500 VanDerWaalsContact O-N 3.1Å; N498-N500 PolarHBondContact OD1-N 3.3Å; N500-K502 PolarHBondContact O-N 3.13Å
501I71Confident83.8Confident41 Ų4142.2 Ų42.221%0.2123%0.228CC..SBendtrans-87.8105.2177.1-55.9174.6000107.7V495 N498 D499 L503 W544 R607V495-I501 HydrophobicContact CG1-CD1 4.2Å; V495-I501 HydrophobicContact CG1-CG2 4.47Å; N498-I501 HydrophobicContact CB-CD1 3.83Å; N498-I501 HydrophobicContact CB-CG1 4.07Å; N498-I501 WeakPolarHBondContact O-CB 3.47Å; N498-I501 PolarHBondContact O-N 3.08Å; D499-I501 PolarHBondContact O-N 3.35Å; I501-L503 HydrophobicContact CG2-CD2 3.86Å; I501-L503 HydrophobicContact CG2-CG 4.12Å; I501-L503 PolarHBondContact O-N 3.45Å; I501-L503 VanDerWaalsContact O-N 3.17Å; I501-W544 HydrophobicContact CD1-CH2 4.11Å; I501-W544 HydrophobicContact CG2-CH2 3.75Å; I501-W544 HydrophobicContact CG2-CZ3 4.26Å; I501-R607 PolarHBondContact O-NH1 3.03Å; I501-R607 PolarHBondContact O-NH2 3.28Å
502K73.1Confident84Confident142 Ų14241.7 Ų41.762%0.61723%0.225SC*.  trans-78.197.1173.2-69.3-170178.1178.20109.9N500 D504 Y697N500-K502 PolarHBondContact O-N 3.13Å; K502-D504 PolarHBondContact O-N 2.65Å; K502-Y697 PolarHBondContact NZ-OH 3.03Å
503L79.1Confident83.9Confident21 Ų2142.3 Ų42.311%0.1123%0.228CC..  trans-81.6102.6174.2-64.1172.8000109.2V495 L496 I501 F507 I508 F511V495-L503 HydrophobicContact CG1-CD1 4.31Å; V495-L503 HydrophobicContact CG1-CD2 4.25Å; L496-L503 HydrophobicContact CD2-CD1 3.66Å; I501-L503 HydrophobicContact CG2-CD2 3.86Å; I501-L503 HydrophobicContact CG2-CG 4.12Å; I501-L503 PolarHBondContact O-N 3.45Å; I501-L503 VanDerWaalsContact O-N 3.17Å; L503-F507 HydrophobicContact CD2-CB 4Å; L503-F507 HydrophobicContact CD2-CD1 4.28Å; L503-F507 HydrophobicContact CD2-CG 4.22Å; L503-I508 HydrophobicContact CB-CG1 4.19Å; L503-F511 HydrophobicContact CD2-CE2 3.76Å; L503-F511 HydrophobicContact CD2-CZ 4.39Å
504D81.5Confident84.1Confident48 Ų4841.7 Ų41.726%0.25723%0.226SC..  trans-79.5173.4172.370.710.3000111.8K502 L506 F507 I508 H689 M693K502-D504 PolarHBondContact O-N 2.65Å; D504-L506 PolarHBondContact O-N 3.32Å; D504-L506 VanDerWaalsContact O-N 3.09Å; D504-L506 WeakPolarHBondContact OD1-CB 3.46Å; D504-L506 PolarHBondContact OD1-N 2.88Å; D504-L506 VanDerWaalsContact OD1-N 3.14Å; D504-F507 PolarHBondContact O-N 3.32Å; D504-F507 PolarHBondContact OD1-N 2.75Å; D504-I508 WeakPolarHBondContact O-CG1 3.14Å; D504-I508 PolarHBondContact O-N 2.85Å; D504-I508 VanDerWaalsContact O-N 3.07Å; D504-H689 IonicContact OD2-CD2 3.01Å; D504-H689 PolarHBondContact OD2-CD2 2.95Å; D504-H689 IonicContact OD2-CE1 3.78Å; D504-H689 IonicContact OD2-NE2 3.61Å; D504-H689 PolarHBondContact OD2-NE2 3.36Å; D504-M693 WeakPolarHBondContact OD2-CE 3.24Å
505A84.8Confident84.6Confident78 Ų7837.6 Ų37.665%0.64520%0.204SC*.Hα-helixtrans-57.4-27.3-178.100000113.4A509A505-A509 WeakPolarHBondContact O-CB 3.16Å; A505-A509 PolarHBondContact O-N 2.85Å
506L83.1Confident85.1Confident30 Ų3037.4 Ų37.416%0.15720%0.203CC..Hα-helixtrans-74.4-44.2-179.8-158.3107.3000111D504 A509 S510 I681 I686 H689D504-L506 PolarHBondContact O-N 3.32Å; D504-L506 VanDerWaalsContact O-N 3.09Å; D504-L506 WeakPolarHBondContact OD1-CB 3.46Å; D504-L506 PolarHBondContact OD1-N 2.88Å; D504-L506 VanDerWaalsContact OD1-N 3.14Å; L506-A509 PolarHBondContact O-N 3.07Å; L506-S510 PolarHBondContact O-N 2.92Å; L506-I681 HydrophobicContact CG-CG1 4.36Å; L506-I686 HydrophobicContact CD2-CG1 4.18Å; L506-H689 HydrophobicContact CD2-CB 3.92Å
507F85.2Confident85.4Confident12 Ų1240 Ų405%0.05321%0.214CC..Hα-helixtrans-59.9-49.4173.4-96.9-79.5000111.9L503 D504 A509 S510 F511 W544 I686L503-F507 HydrophobicContact CD2-CB 4Å; L503-F507 HydrophobicContact CD2-CD1 4.28Å; L503-F507 HydrophobicContact CD2-CG 4.22Å; D504-F507 PolarHBondContact O-N 3.32Å; D504-F507 PolarHBondContact OD1-N 2.75Å; F507-A509 VanDerWaalsContact C-N 3.3Å; F507-A509 PolarHBondContact O-N 3.24Å; F507-S510 WeakPolarHBondContact O-CB 3.16Å; F507-S510 PolarHBondContact O-N 3.37Å; F507-F511 HydrophobicContact CD1-CE2 4.46Å; F507-F511 HydrophobicContact CD1-CZ 4.05Å; F507-F511 PolarHBondContact O-N 3.32Å; F507-W544 HydrophobicContact CD1-CE3 4.18Å; F507-W544 HydrophobicContact CE1-CB 3.94Å; F507-W544 AromaticContact CE1-CD2 3.65Å; F507-W544 HydrophobicContact CE1-CD2 3.65Å; F507-W544 AromaticContact CE1-CE3 3.59Å; F507-W544 HydrophobicContact CE1-CE3 3.59Å; F507-W544 AromaticContact CE1-CG 3.85Å; F507-W544 HydrophobicContact CE1-CG 3.85Å; F507-W544 HydrophobicContact CE1-CZ3 4.19Å; F507-W544 HydrophobicContact CZ-CD2 4.26Å; F507-W544 HydrophobicContact CZ-CE3 4.49Å; F507-W544 HydrophobicContact CZ-CG 4.38Å; F507-I686 HydrophobicContact CD1-CG2 4.39Å; F507-I686 HydrophobicContact CE1-CG2 3.8Å; F507-I686 HydrophobicContact CE2-CG2 4.37Å; F507-I686 HydrophobicContact CZ-CG2 3.79Å
508I90.3Very high86.1Confident22 Ų2237.4 Ų37.411%0.11320%0.201CC..Hα-helixtrans-56.8-48.3178.7-66.8170.4000109.7L503 D504 S510 F511 V512 I604 F605 M677L503-I508 HydrophobicContact CB-CG1 4.19Å; D504-I508 WeakPolarHBondContact O-CG1 3.14Å; D504-I508 PolarHBondContact O-N 2.85Å; D504-I508 VanDerWaalsContact O-N 3.07Å; I508-S510 PolarHBondContact O-N 3.03Å; I508-F511 PolarHBondContact O-N 3.38Å; I508-V512 VanDerWaalsContact O-CG2 3.29Å; I508-V512 WeakPolarHBondContact O-CG2 2.94Å; I508-V512 PolarHBondContact O-N 3.18Å; I508-V512 VanDerWaalsContact O-N 3.13Å; I508-I604 HydrophobicContact CB-CG2 4.28Å; I508-I604 HydrophobicContact CG1-CG2 4.26Å; I508-I604 HydrophobicContact CG2-CG2 3.48Å; I508-I604 VanDerWaalsContact CG2-CG2 3.48Å; I508-F605 HydrophobicContact CG2-CE1 3.98Å; I508-F605 HydrophobicContact CG2-CE2 4.13Å; I508-F605 HydrophobicContact CG2-CZ 3.67Å; I508-M677 HydrophobicContact CB-CE 4.2Å; I508-M677 HydrophobicContact CG2-CE 3.32Å
509A90.5Very high87.1Confident3 Ų335.8 Ų35.83%0.02519%0.192CC..Hα-helixtrans-61.6-34.417900000112.1A505 L506 F507 D513 M677 F678 I681A505-A509 WeakPolarHBondContact O-CB 3.16Å; A505-A509 PolarHBondContact O-N 2.85Å; L506-A509 PolarHBondContact O-N 3.07Å; F507-A509 VanDerWaalsContact C-N 3.3Å; F507-A509 PolarHBondContact O-N 3.24Å; A509-D513 PolarHBondContact O-N 3.14Å; A509-M677 VanDerWaalsContact CA-CE 3.48Å; A509-M677 HydrophobicContact CB-CE 3.86Å; A509-M677 HydrophobicContact CB-CG 3.69Å; A509-M677 HydrophobicContact CB-SD 4.11Å; A509-F678 WeakPolarHBondContact O-CE1 3.41Å; A509-I681 HydrophobicContact CB-CD1 3.37Å; A509-I681 HydrophobicContact CB-CG1 4.13Å; A509-I681 WeakPolarHBondContact O-CD1 3.45Å
510S89.6Confident88.2Confident6 Ų631.6 Ų31.64%0.04217%0.169CC..Hα-helixtrans-68.7-48.9-179.9-177.10000111.5L506 F507 I508 V512 D513 D514 I681 I686L506-S510 PolarHBondContact O-N 2.92Å; F507-S510 WeakPolarHBondContact O-CB 3.16Å; F507-S510 PolarHBondContact O-N 3.37Å; I508-S510 PolarHBondContact O-N 3.03Å; S510-V512 PolarHBondContact O-N 3.02Å; S510-D513 PolarHBondContact O-N 3.09Å; S510-D514 VanDerWaalsContact O-CB 3.31Å; S510-D514 WeakPolarHBondContact O-CB 3.41Å; S510-D514 PolarHBondContact O-N 3.43Å; S510-I681 VanDerWaalsContact N-CD1 3.33Å; S510-I686 WeakPolarHBondContact OG-CD1 3.49Å
511F92.5Very high89.5Confident0 Ų028 Ų280%015%0.146CC..Hα-helixtrans-58.9-39.6178.5-65.4-29.5000111L492 V495 L503 F507 I508 L515 I540 W544 L546L492-F511 HydrophobicContact CD1-CD2 3.82Å; L492-F511 HydrophobicContact CD1-CE2 4.19Å; L492-F511 HydrophobicContact CD1-CG 4.25Å; V495-F511 HydrophobicContact CG1-CE2 4.33Å; V495-F511 HydrophobicContact CG1-CZ 4.47Å; L503-F511 HydrophobicContact CD2-CE2 3.76Å; L503-F511 HydrophobicContact CD2-CZ 4.39Å; F507-F511 HydrophobicContact CD1-CE2 4.46Å; F507-F511 HydrophobicContact CD1-CZ 4.05Å; F507-F511 PolarHBondContact O-N 3.32Å; I508-F511 PolarHBondContact O-N 3.38Å; F511-L515 WeakPolarHBondContact O-CB 3.29Å; F511-L515 PolarHBondContact O-N 3.03Å; F511-I540 HydrophobicContact CD1-CD1 4.13Å; F511-I540 HydrophobicContact CE1-CD1 3.91Å; F511-I540 HydrophobicContact CE1-CG2 4.33Å; F511-I540 HydrophobicContact CZ-CD1 4.37Å; F511-W544 HydrophobicContact CE1-CE3 4.29Å; F511-W544 WeakPolarHBondContact CE1-O 3.39Å; F511-W544 AromaticContact CZ-CE3 3.76Å; F511-W544 HydrophobicContact CZ-CE3 3.76Å; F511-W544 HydrophobicContact CZ-CZ3 4.07Å; F511-L546 HydrophobicContact CB-CD1 3.98Å; F511-L546 HydrophobicContact CD1-CB 4.15Å; F511-L546 HydrophobicContact CG-CD1 4.44Å
512V95Very high90.7Very high0 Ų026.1 Ų26.10%014%0.136CC..Hα-helixtrans-66.6-44176.9177.40000112I508 S510 L516 F597 L601 I604 L674 M677 F678I508-V512 VanDerWaalsContact O-CG2 3.29Å; I508-V512 WeakPolarHBondContact O-CG2 2.94Å; I508-V512 PolarHBondContact O-N 3.18Å; I508-V512 VanDerWaalsContact O-N 3.13Å; S510-V512 PolarHBondContact O-N 3.02Å; V512-L516 HydrophobicContact CG1-CD1 4.09Å; V512-L516 WeakPolarHBondContact O-CB 3.17Å; V512-L516 VanDerWaalsContact O-CG 3.26Å; V512-L516 WeakPolarHBondContact O-CG 3.45Å; V512-L516 PolarHBondContact O-N 3.42Å; V512-F597 HydrophobicContact CG1-CZ 4.29Å; V512-L601 HydrophobicContact CG1-CD1 4.1Å; V512-L601 HydrophobicContact CG2-CD1 3.6Å; V512-I604 HydrophobicContact CG2-CD1 3.83Å; V512-L674 HydrophobicContact CG1-CD1 3.89Å; V512-M677 HydrophobicContact CB-SD 4.23Å; V512-M677 HydrophobicContact CG1-SD 4.25Å; V512-M677 HydrophobicContact CG2-CE 4.26Å; V512-M677 HydrophobicContact CG2-SD 4.34Å; V512-F678 HydrophobicContact CB-CE1 4.24Å; V512-F678 HydrophobicContact CG1-CE1 4.02Å; V512-F678 HydrophobicContact CG1-CZ 3.96Å
513D93.3Very high91.7Very high13 Ų1320.2 Ų20.27%0.0711%0.11CC..Hα-helixtrans-66.4-42.5177.9-170.545.5000111.8A509 S510 L516 K517 R671 F678A509-D513 PolarHBondContact O-N 3.14Å; S510-D513 PolarHBondContact O-N 3.09Å; D513-L516 PolarHBondContact O-N 3.07Å; D513-K517 VanDerWaalsContact O-CG 3.3Å; D513-K517 WeakPolarHBondContact O-CG 3.46Å; D513-K517 PolarHBondContact O-N 3.34Å; D513-K517 WeakPolarHBondContact OD2-CE 3.38Å; D513-K517 IonicContact OD2-NZ 3.61Å; D513-K517 PolarHBondContact OD2-NZ 3.17Å; D513-R671 IonicContact OD1-CZ 3.6Å; D513-R671 IonicContact OD1-NE 3.25Å; D513-R671 PolarHBondContact OD1-NE 3.37Å; D513-R671 IonicContact OD1-NH2 2.95Å; D513-R671 PolarHBondContact OD1-NH2 3.11Å; D513-R671 IonicContact OD2-NH2 2.68Å; D513-F678 HydrophobicContact CB-CD1 3.72Å; D513-F678 HydrophobicContact CB-CE1 3.67Å; D513-F678 HydrophobicContact CB-CG 4.39Å; D513-F678 HydrophobicContact CB-CZ 4.29Å
514D93.7Very high92.5Very high13 Ų1324.1 Ų24.17%0.0713%0.131CC..Hα-helixtrans-61.5-45.7176.1-83.7-0.2000111.5N466 S510 L516 K517 G518 S545 L546N466-D514 VanDerWaalsContact CB-O 3.23Å; N466-D514 WeakPolarHBondContact CB-O 3.23Å; N466-D514 WeakPolarHBondContact ND2-CB 3.3Å; N466-D514 PolarHBondContact ND2-OD1 2.94Å; N466-D514 VanDerWaalsContact ND2-OD1 3.08Å; N466-D514 PolarHBondContact ND2-OD2 3.37Å; S510-D514 VanDerWaalsContact O-CB 3.31Å; S510-D514 WeakPolarHBondContact O-CB 3.41Å; S510-D514 PolarHBondContact O-N 3.43Å; D514-L516 PolarHBondContact O-N 3.22Å; D514-K517 PolarHBondContact O-N 2.82Å; D514-K517 IonicContact OD1-NZ 3.06Å; D514-G518 PolarHBondContact O-N 3.36Å; D514-S545 WeakPolarHBondContact OD2-CA 3.4Å; D514-S545 PolarHBondContact OD2-OG 3.11Å; D514-L546 HydrophobicContact CB-CB 3.85Å; D514-L546 PolarHBondContact OD2-N 3.02Å
515L96.8Very high93Very high0 Ų022.7 Ų22.70%013%0.125CC..Hα-helixtrans-59.3-45.9175.7-179.156.4000111.6F511 G518 L519 L533 L546 V548 F597 V600F511-L515 WeakPolarHBondContact O-CB 3.29Å; F511-L515 PolarHBondContact O-N 3.03Å; L515-G518 PolarHBondContact O-N 3.12Å; L515-L519 HydrophobicContact CD1-CD1 3.74Å; L515-L519 HydrophobicContact CD1-CG 4.22Å; L515-L519 HydrophobicContact CG-CD1 3.89Å; L515-L519 WeakPolarHBondContact O-CB 3.31Å; L515-L519 VanDerWaalsContact O-CG 3.31Å; L515-L519 WeakPolarHBondContact O-CG 3.2Å; L515-L519 PolarHBondContact O-N 2.93Å; L515-L533 HydrophobicContact CD1-CD1 4.17Å; L515-L546 HydrophobicContact CB-CD1 4.43Å; L515-L546 HydrophobicContact CB-CD2 3.92Å; L515-L546 HydrophobicContact CD1-CD2 4.03Å; L515-V548 HydrophobicContact CD1-CG2 3.74Å; L515-F597 HydrophobicContact CD2-CD2 3.75Å; L515-F597 HydrophobicContact CD2-CE2 3.84Å; L515-F597 HydrophobicContact CG-CD2 4.07Å; L515-F597 HydrophobicContact CG-CE2 4.14Å; L515-V600 HydrophobicContact CD2-CG1 3.84Å
516L97.1Very high93.2Very high0 Ų025.3 Ų25.30%012%0.124CC..Hα-helixtrans-63.8-43.4177.7-73.1168.2000112.3V512 D513 D514 L519 I520 F597 F667 I670 R671 L674 F678V512-L516 HydrophobicContact CG1-CD1 4.09Å; V512-L516 WeakPolarHBondContact O-CB 3.17Å; V512-L516 VanDerWaalsContact O-CG 3.26Å; V512-L516 WeakPolarHBondContact O-CG 3.45Å; V512-L516 PolarHBondContact O-N 3.42Å; D513-L516 PolarHBondContact O-N 3.07Å; D514-L516 PolarHBondContact O-N 3.22Å; L516-L519 PolarHBondContact O-N 3.2Å; L516-I520 WeakPolarHBondContact O-CB 3.48Å; L516-I520 WeakPolarHBondContact O-CD1 3.49Å; L516-I520 WeakPolarHBondContact O-CG1 3.34Å; L516-I520 PolarHBondContact O-N 3.08Å; L516-F597 HydrophobicContact CD2-CD2 4.37Å; L516-F597 HydrophobicContact CD2-CE1 4.47Å; L516-F597 HydrophobicContact CD2-CE2 3.69Å; L516-F597 HydrophobicContact CD2-CZ 3.76Å; L516-F597 HydrophobicContact CG-CE2 3.95Å; L516-F597 HydrophobicContact CG-CZ 4.12Å; L516-F667 HydrophobicContact CD2-CD1 3.79Å; L516-I670 HydrophobicContact CD2-CB 4.3Å; L516-I670 HydrophobicContact CD2-CG2 3.73Å; L516-R671 HydrophobicContact CD1-CB 4.1Å; L516-R671 HydrophobicContact CD1-CG 4.19Å; L516-L674 HydrophobicContact CD1-CD1 4.22Å; L516-F678 HydrophobicContact CD1-CE2 4.11Å; L516-F678 HydrophobicContact CD1-CZ 3.67Å
517K95.8Very high93.5Very high60 Ų6025.1 Ų25.126%0.26112%0.123SC..Hα-helixtrans-61-46.4176.6-71.9168.3-170.4152.40111.2N466 D513 D514 L519 I520 Y521N466-K517 WeakPolarHBondContact OD1-CB 3.49Å; N466-K517 WeakPolarHBondContact OD1-CD 3.33Å; D513-K517 VanDerWaalsContact O-CG 3.3Å; D513-K517 WeakPolarHBondContact O-CG 3.46Å; D513-K517 PolarHBondContact O-N 3.34Å; D513-K517 WeakPolarHBondContact OD2-CE 3.38Å; D513-K517 IonicContact OD2-NZ 3.61Å; D513-K517 PolarHBondContact OD2-NZ 3.17Å; D514-K517 PolarHBondContact O-N 2.82Å; D514-K517 IonicContact OD1-NZ 3.06Å; K517-L519 PolarHBondContact O-N 3Å; K517-I520 PolarHBondContact O-N 2.74Å; K517-Y521 WeakPolarHBondContact O-CB 3.48Å; K517-Y521 PolarHBondContact O-N 2.78Å
518G95.9Very high93.8Very high0 Ų032.7 Ų32.70%015%0.151CC..Hα-helixtrans-59.5-44.5178.200000112.4D514 L515 L522D514-G518 PolarHBondContact O-N 3.36Å; L515-G518 PolarHBondContact O-N 3.12Å; G518-L522 WeakPolarHBondContact O-CB 3.49Å; G518-L522 PolarHBondContact O-N 3.17Å
519L97.4Very high93.9Very high0 Ų033.1 Ų33.10%016%0.155CC..Hα-helixtrans-71-40.7179.9-70.2166.8000113.2L515 L516 K517 L522 H523 H530 L533 V548 F597 F667L515-L519 HydrophobicContact CD1-CD1 3.74Å; L515-L519 HydrophobicContact CD1-CG 4.22Å; L515-L519 HydrophobicContact CG-CD1 3.89Å; L515-L519 WeakPolarHBondContact O-CB 3.31Å; L515-L519 VanDerWaalsContact O-CG 3.31Å; L515-L519 WeakPolarHBondContact O-CG 3.2Å; L515-L519 PolarHBondContact O-N 2.93Å; L516-L519 PolarHBondContact O-N 3.2Å; K517-L519 PolarHBondContact O-N 3Å; L519-L522 PolarHBondContact O-N 3.41Å; L519-H523 WeakPolarHBondContact O-CB 3.34Å; L519-H523 PolarHBondContact O-CD2 3.13Å; L519-H523 PolarHBondContact O-N 2.92Å; L519-H530 HydrophobicContact CD2-CB 4.28Å; L519-L533 HydrophobicContact CD1-CD1 4.49Å; L519-L533 HydrophobicContact CD1-CD2 3.66Å; L519-L533 HydrophobicContact CD2-CD1 4.26Å; L519-L533 HydrophobicContact CD2-CD2 4.02Å; L519-V548 HydrophobicContact CD2-CG1 4.23Å; L519-V548 HydrophobicContact CG-CG2 4.4Å; L519-F597 HydrophobicContact CD1-CD2 4.12Å; L519-F667 HydrophobicContact CB-CD1 4.29Å; L519-F667 HydrophobicContact CB-CD2 3.92Å; L519-F667 HydrophobicContact CB-CE1 4.25Å; L519-F667 HydrophobicContact CB-CE2 3.87Å; L519-F667 HydrophobicContact CB-CG 4.15Å; L519-F667 HydrophobicContact CB-CZ 4.06Å; L519-F667 HydrophobicContact CD1-CD1 4.29Å; L519-F667 HydrophobicContact CD1-CE1 3.58Å; L519-F667 HydrophobicContact CD1-CE2 4.2Å; L519-F667 HydrophobicContact CD1-CZ 3.54Å; L519-F667 HydrophobicContact CD2-CE2 4.42Å; L519-F667 HydrophobicContact CD2-CZ 4.4Å; L519-F667 HydrophobicContact CG-CE1 4.49Å; L519-F667 HydrophobicContact CG-CE2 4.38Å; L519-F667 HydrophobicContact CG-CZ 4.2Å
520I97.1Very high94Very high30 Ų3033.3 Ų33.315%0.15416%0.155CC..Hα-helixtrans-60-48.6174.1-69.6165.9000109.9L516 K517 L522 H523 D524 F667 R671L516-I520 WeakPolarHBondContact O-CB 3.48Å; L516-I520 WeakPolarHBondContact O-CD1 3.49Å; L516-I520 WeakPolarHBondContact O-CG1 3.34Å; L516-I520 PolarHBondContact O-N 3.08Å; K517-I520 PolarHBondContact O-N 2.74Å; I520-L522 VanDerWaalsContact C-N 3.33Å; I520-L522 PolarHBondContact O-N 3.28Å; I520-H523 PolarHBondContact O-N 2.81Å; I520-D524 PolarHBondContact O-N 2.82Å; I520-F667 HydrophobicContact CD1-CB 4.4Å; I520-F667 HydrophobicContact CG1-CB 3.6Å; I520-R671 HydrophobicContact CD1-CB 4.48Å
521Y97Very high94Very high70 Ų7034.3 Ų34.328%0.27517%0.166SC..Hα-helixtrans-59.4-45.4178.1174-89.1000111.4L462 H463 H464 V467 K517 H523 D524 S525L462-Y521 HydrophobicContact CB-CE1 4.23Å; L462-Y521 HydrophobicContact CD2-CE1 4.02Å; H463-Y521 PolarHBondContact N-OH 2.97Å; H463-Y521 PolarHBondContact O-OH 3.11Å; H464-Y521 HydrophobicContact CB-CD1 3.7Å; H464-Y521 HydrophobicContact CB-CD2 3.98Å; H464-Y521 HydrophobicContact CB-CE1 3.77Å; H464-Y521 HydrophobicContact CB-CE2 4.05Å; H464-Y521 HydrophobicContact CB-CG 3.81Å; H464-Y521 AromaticContact CD2-CD2 3.6Å; H464-Y521 AromaticContact CD2-CG 3.74Å; H464-Y521 AromaticContact CG-CD2 3.96Å; H464-Y521 AromaticContact CG-CG 3.75Å; V467-Y521 HydrophobicContact CG2-CD1 3.73Å; V467-Y521 HydrophobicContact CG2-CE1 4.35Å; K517-Y521 WeakPolarHBondContact O-CB 3.48Å; K517-Y521 PolarHBondContact O-N 2.78Å; Y521-H523 VanDerWaalsContact C-N 3.34Å; Y521-H523 PolarHBondContact O-N 3.05Å; Y521-D524 PolarHBondContact O-N 3.32Å; Y521-S525 WeakPolarHBondContact O-CB 3.47Å; Y521-S525 PolarHBondContact O-N 2.87Å
522L95.2Very high93.8Very high1 Ų135.6 Ų35.61%0.00517%0.173CC..Hα-helixtrans-64.5-38.7179.5-170.469.5000112L462 G518 L519 I520 S525 I527 R528 H530 F551L462-L522 HydrophobicContact CD1-CD1 3.94Å; G518-L522 WeakPolarHBondContact O-CB 3.49Å; G518-L522 PolarHBondContact O-N 3.17Å; L519-L522 PolarHBondContact O-N 3.41Å; I520-L522 VanDerWaalsContact C-N 3.33Å; I520-L522 PolarHBondContact O-N 3.28Å; L522-S525 WeakPolarHBondContact O-CB 3.36Å; L522-S525 PolarHBondContact O-N 3.03Å; L522-S525 PolarHBondContact O-OG 3.49Å; L522-I527 HydrophobicContact CD1-CB 4.22Å; L522-I527 HydrophobicContact CD1-CG2 4.23Å; L522-R528 PolarHBondContact O-N 3.06Å; L522-H530 HydrophobicContact CD2-CB 3.73Å; L522-F551 HydrophobicContact CD1-CD1 4.36Å; L522-F551 HydrophobicContact CD1-CD2 3.67Å; L522-F551 HydrophobicContact CD1-CE2 3.88Å; L522-F551 HydrophobicContact CD1-CG 3.94Å; L522-F551 HydrophobicContact CD1-CZ 4.32Å; L522-F551 HydrophobicContact CD2-CB 3.77Å; L522-F551 HydrophobicContact CD2-CD1 4.27Å; L522-F551 HydrophobicContact CD2-CD2 4.42Å; L522-F551 HydrophobicContact CD2-CG 3.9Å
523H95.5Very high93.7Very high18 Ų1835.6 Ų35.68%0.08317%0.173CC..Hα-helixtrans-68.4-33.7178-82.1-153.3000113.6L519 I520 Y521 S525 R528 Q590 D593 F667L519-H523 WeakPolarHBondContact O-CB 3.34Å; L519-H523 PolarHBondContact O-CD2 3.13Å; L519-H523 PolarHBondContact O-N 2.92Å; I520-H523 PolarHBondContact O-N 2.81Å; Y521-H523 VanDerWaalsContact C-N 3.34Å; Y521-H523 PolarHBondContact O-N 3.05Å; H523-S525 VanDerWaalsContact C-N 3.32Å; H523-R528 WeakPolarHBondContact CA-O 3.44Å; H523-R528 PolarHBondContact CD2-O 2.81Å; H523-Q590 WeakPolarHBondContact CE1-CB 3.4Å; H523-Q590 VanDerWaalsContact CE1-CG 3.46Å; H523-Q590 WeakPolarHBondContact CE1-CG 3.15Å; H523-Q590 WeakPolarHBondContact ND1-CG 3.33Å; H523-Q590 PolarHBondContact O-NE2 3.03Å; H523-D593 IonicContact CD2-OD2 2.98Å; H523-D593 IonicContact CE1-OD2 3.21Å; H523-D593 IonicContact NE2-OD2 2.76Å; H523-D593 PolarHBondContact NE2-OD2 2.77Å; H523-F667 AromaticContact CE1-CD2 3.41Å; H523-F667 VanDerWaalsContact CE1-CD2 3.41Å; H523-F667 WeakPolarHBondContact CE1-CD2 2.97Å; H523-F667 AromaticContact CE1-CE2 3.26Å; H523-F667 WeakPolarHBondContact CE1-CE2 3.46Å; H523-F667 AromaticContact ND1-CD2 3.52Å; H523-F667 AromaticContact ND1-CE2 3.87Å; H523-F667 AromaticContact NE2-CE2 3.65Å
524D94.8Very high93.7Very high103 Ų10335.8 Ų35.855%0.55117%0.173SC*.Hα-helixtrans-80.7-15.9174.7-72.9-25.6000112.5I520 Y521 R668I520-D524 PolarHBondContact O-N 2.82Å; Y521-D524 PolarHBondContact O-N 3.32Å; D524-R668 IonicContact OD1-CZ 3.13Å; D524-R668 IonicContact OD1-NH2 2.83Å; D524-R668 PolarHBondContact OD1-NH2 3.19Å; D524-R668 IonicContact OD2-CZ 2.95Å; D524-R668 IonicContact OD2-NH2 2.69Å; D524-R668 PolarHBondContact OD2-NH2 2.85Å
525S93Very high93.7Very high18 Ų1835.2 Ų35.213%0.12617%0.17CC..SBendtrans-74.2170.4176.885.60000113.1Y521 L522 H523 I527 R528Y521-S525 WeakPolarHBondContact O-CB 3.47Å; Y521-S525 PolarHBondContact O-N 2.87Å; L522-S525 WeakPolarHBondContact O-CB 3.36Å; L522-S525 PolarHBondContact O-N 3.03Å; L522-S525 PolarHBondContact O-OG 3.49Å; H523-S525 VanDerWaalsContact C-N 3.32Å; S525-I527 PolarHBondContact O-N 3.31Å; S525-I527 PolarHBondContact OG-N 3.08Å; S525-R528 VanDerWaalsContact O-CG 3.3Å; S525-R528 WeakPolarHBondContact O-CG 3.24Å; S525-R528 PolarHBondContact O-N 2.85Å
526E88.1Confident93.4Very high133 Ų13337.8 Ų37.862%0.62119%0.186SC*.THydrogen-bonded Turntrans-64.5-18175-65.6-166.9-16800114.5K458K458-E526 HydrophobicContact CD-CB 4.07Å; K458-E526 VanDerWaalsContact CD-OE2 3.27Å; K458-E526 WeakPolarHBondContact CD-OE2 3.41Å; K458-E526 WeakPolarHBondContact CE-OE2 3.44Å; K458-E526 IonicContact NZ-OE2 3.03Å; K458-E526 PolarHBondContact NZ-OE2 3.34Å
527I89.7Confident93.2Very high25 Ų2538.1 Ų38.113%0.12819%0.188CC..THydrogen-bonded Turntrans-75.5-29.3174.7-60.7-60.3000110.9E455 K458 M459 L462 L522 S525 V529 F551E455-I527 HydrophobicContact CG-CD1 4.05Å; K458-I527 HydrophobicContact CB-CD1 4.02Å; M459-I527 HydrophobicContact CG-CD1 3.68Å; M459-I527 HydrophobicContact CG-CG1 4.21Å; L462-I527 HydrophobicContact CD1-CG1 3.93Å; L522-I527 HydrophobicContact CD1-CB 4.22Å; L522-I527 HydrophobicContact CD1-CG2 4.23Å; S525-I527 PolarHBondContact O-N 3.31Å; S525-I527 PolarHBondContact OG-N 3.08Å; I527-V529 WeakPolarHBondContact CG2-O 3.49Å; I527-V529 PolarHBondContact O-N 2.9Å; I527-F551 HydrophobicContact CG2-CD2 4.41Å
528R91.7Very high93.2Very high171 Ų17135.2 Ų35.265%0.64518%0.175SC*.  trans60.5-23.9175.4-62.9-172.5173.5-166.3-1.8118.1L522 H523 S525 Q590L522-R528 PolarHBondContact O-N 3.06Å; H523-R528 WeakPolarHBondContact CA-O 3.44Å; H523-R528 PolarHBondContact CD2-O 2.81Å; S525-R528 VanDerWaalsContact O-CG 3.3Å; S525-R528 WeakPolarHBondContact O-CG 3.24Å; S525-R528 PolarHBondContact O-N 2.85Å; R528-Q590 WeakPolarHBondContact O-CG 3.39Å; R528-Q590 PolarHBondContact O-NE2 2.77Å
529V92.7Very high93.1Very high32 Ų3236.3 Ų36.319%0.19418%0.183CC..  trans-145.6142.7-171.5-172.80000109.9I527 Q590 D593I527-V529 WeakPolarHBondContact CG2-O 3.49Å; I527-V529 PolarHBondContact O-N 2.9Å; V529-Q590 HydrophobicContact CG2-CG 3.98Å; V529-D593 WeakPolarHBondContact CG1-OD2 3.25Å
530H92.9Very high92.8Very high6 Ų636.3 Ų36.33%0.02818%0.183CC..  trans-78.6-54.5170.1-172.2-39.5000111.6L519 L522 N532 V548 S549 F551 D593L519-H530 HydrophobicContact CD2-CB 4.28Å; L522-H530 HydrophobicContact CD2-CB 3.73Å; H530-N532 VanDerWaalsContact CE1-C 3.43Å; H530-N532 PolarHBondContact CE1-O 3.16Å; H530-N532 VanDerWaalsContact CE1-O 3.31Å; H530-N532 PolarHBondContact ND1-N 3.31Å; H530-N532 PolarHBondContact O-N 3.27Å; H530-V548 WeakPolarHBondContact CD2-CG1 3.35Å; H530-V548 WeakPolarHBondContact NE2-CG1 3.25Å; H530-S549 PolarHBondContact CE1-O 2.87Å; H530-S549 PolarHBondContact NE2-O 2.99Å; H530-F551 HydrophobicContact CB-CB 4.48Å; H530-D593 WeakPolarHBondContact CB-OD2 3.41Å; H530-D593 PolarHBondContact N-OD2 3.1Å
531G88Confident92.3Very high27 Ų2736 Ų3628%0.27818%0.182SC..SBendtrans73.60.8173.600000116.4D593G531-D593 PolarHBondContact N-OD1 2.91Å
532N88Confident91.5Very high27 Ų2736.5 Ų36.514%0.14420%0.196CC..SBendtrans-153.237.8178.8-16734.7000110.7H530 K534 N537 D550H530-N532 VanDerWaalsContact CE1-C 3.43Å; H530-N532 PolarHBondContact CE1-O 3.16Å; H530-N532 VanDerWaalsContact CE1-O 3.31Å; H530-N532 PolarHBondContact ND1-N 3.31Å; H530-N532 PolarHBondContact O-N 3.27Å; N532-K534 PolarHBondContact O-N 2.81Å; N532-K534 WeakPolarHBondContact OD1-CE 2.96Å; N532-K534 PolarHBondContact OD1-NZ 3.12Å; N532-N537 PolarHBondContact ND2-ND2 2.83Å; N532-N537 VanDerWaalsContact ND2-ND2 3.19Å; N532-N537 PolarHBondContact O-ND2 3.1Å; N532-D550 PolarHBondContact ND2-OD2 2.77Å
533L93.8Very high90.7Very high1 Ų145.8 Ų45.81%0.00523%0.231CC..  trans-70.8123.8-175.6177.862.8000110.5L515 L519 V548 W570 S596 F597L515-L533 HydrophobicContact CD1-CD1 4.17Å; L519-L533 HydrophobicContact CD1-CD1 4.49Å; L519-L533 HydrophobicContact CD1-CD2 3.66Å; L519-L533 HydrophobicContact CD2-CD1 4.26Å; L519-L533 HydrophobicContact CD2-CD2 4.02Å; L533-V548 HydrophobicContact CD1-CG1 4.44Å; L533-W570 WeakPolarHBondContact O-CB 3.24Å; L533-S596 WeakPolarHBondContact O-CB 3.34Å; L533-F597 HydrophobicContact CD2-CB 4.04Å
534K93.1Very high90.2Very high17 Ų1746.3 Ų46.37%0.07423%0.232CC..  trans-149.7157.3179.9-54179.4-170.4169.10109N532 T536 N537 C538 G567 W570N532-K534 PolarHBondContact O-N 2.81Å; N532-K534 WeakPolarHBondContact OD1-CE 2.96Å; N532-K534 PolarHBondContact OD1-NZ 3.12Å; K534-T536 WeakPolarHBondContact CB-OG1 3.03Å; K534-T536 PolarHBondContact O-N 3.34Å; K534-N537 HydrophobicContact CB-CB 4.46Å; K534-N537 CarbonylContact O-C 3.44Å; K534-N537 WeakPolarHBondContact O-CA 3.5Å; K534-N537 PolarHBondContact O-N 3.32Å; K534-C538 PolarHBondContact O-N 3.42Å; K534-C538 PolarHBondContact O-SG 3.08Å; K534-G567 WeakPolarHBondContact CE-O 2.93Å; K534-G567 PolarHBondContact NZ-O 3.36Å; K534-W570 HydrophobicContact CB-CD2 3.84Å; K534-W570 HydrophobicContact CB-CE3 4.22Å; K534-W570 HydrophobicContact CB-CG 4.02Å; K534-W570 HydrophobicContact CD-CD2 4.11Å; K534-W570 HydrophobicContact CD-CE3 3.67Å; K534-W570 HydrophobicContact CD-CZ3 4.16Å; K534-W570 HydrophobicContact CG-CB 3.9Å; K534-W570 HydrophobicContact CG-CD2 3.7Å; K534-W570 HydrophobicContact CG-CE3 3.82Å; K534-W570 HydrophobicContact CG-CG 3.74Å
535S93.6Very high89.9Confident0 Ų042.9 Ų42.90%022%0.216CC..G310 helixtrans-59.2-32.4172.752.20000112L492 F493 N537 C538 W570 E603L492-S535 PolarHBondContact N-O 3.35Å; F493-S535 PolarHBondContact N-O 2.79Å; S535-N537 VanDerWaalsContact C-N 3.28Å; S535-N537 PolarHBondContact O-N 3.24Å; S535-C538 PolarHBondContact O-N 3.5Å; S535-W570 WeakPolarHBondContact OG-CZ2 3.5Å; S535-E603 WeakPolarHBondContact CB-OE2 3.2Å; S535-E603 PolarHBondContact OG-OE1 3.2Å; S535-E603 PolarHBondContact OG-OE2 2.95Å
536T90.6Very high90Very high54 Ų5442 Ų4233%0.33121%0.21SC..G310 helixtrans-69.4-19.9173.152.20000114.4S491 F493 K534S491-T536 WeakPolarHBondContact CB-O 3.5Å; F493-T536 HydrophobicContact CB-CG2 3.75Å; F493-T536 HydrophobicContact CD1-CG2 3.99Å; F493-T536 HydrophobicContact CD2-CG2 4.43Å; F493-T536 HydrophobicContact CG-CG2 3.82Å; K534-T536 WeakPolarHBondContact CB-OG1 3.03Å; K534-T536 PolarHBondContact O-N 3.34Å
537N92.7Very high90.3Very high7 Ų736.7 Ų36.74%0.03719%0.185CC..G310 helixtrans-102.113.5176.3-70.1-24.5000112.3K437 N532 K534 S535 S549 D550K437-N537 PolarHBondContact NZ-OD1 3.46Å; N532-N537 PolarHBondContact ND2-ND2 2.83Å; N532-N537 VanDerWaalsContact ND2-ND2 3.19Å; N532-N537 PolarHBondContact O-ND2 3.1Å; K534-N537 HydrophobicContact CB-CB 4.46Å; K534-N537 CarbonylContact O-C 3.44Å; K534-N537 WeakPolarHBondContact O-CA 3.5Å; K534-N537 PolarHBondContact O-N 3.32Å; S535-N537 VanDerWaalsContact C-N 3.28Å; S535-N537 PolarHBondContact O-N 3.24Å; N537-S549 WeakPolarHBondContact O-CA 3.37Å; N537-S549 PolarHBondContact O-N 2.92Å; N537-S549 PolarHBondContact O-OG 3.37Å; N537-S549 VanDerWaalsContact O-OG 3.07Å; N537-D550 HydrophobicContact CB-CB 3.96Å; N537-D550 VanDerWaalsContact OD1-CB 3.28Å; N537-D550 WeakPolarHBondContact OD1-CB 3.18Å; N537-D550 PolarHBondContact OD1-OD2 3.02Å
538C96.1Very high90.7Very high0 Ų035.5 Ų35.50%018%0.179CC..EExtended strand (participates in β ladder)trans-109.9105.5170.7-620000107.6S491 L492 K534 S535 L546 Q547S491-C538 CarbonylContact C-O 3.55Å; S491-C538 VanDerWaalsContact CA-O 3.28Å; S491-C538 WeakPolarHBondContact CA-O 3.22Å; L492-C538 HydrophobicContact CB-CB 3.86Å; L492-C538 HydrophobicContact CD2-CB 4.33Å; L492-C538 PolarHBondContact N-O 2.83Å; K534-C538 PolarHBondContact O-N 3.42Å; K534-C538 PolarHBondContact O-SG 3.08Å; S535-C538 PolarHBondContact O-N 3.5Å; C538-L546 HydrophobicContact CB-CD1 4.05Å; C538-L546 HydrophobicContact CB-CD2 4.13Å; C538-L546 HydrophobicContact CB-CG 4.15Å; C538-Q547 CarbonylContact C-O 3.51Å
539C93.7Very high90.7Very high23 Ų2327.7 Ų27.716%0.15515%0.15CC..EExtended strand (participates in β ladder)trans-92.9145.2-173.4-57.70000111.6C487 G490 L546 Q547 S549C487-C539 HydrophobicContact CB-CB 3.56Å; C487-C539 WeakPolarHBondContact SG-CB 3.26Å; G490-C539 WeakPolarHBondContact O-CA 3.35Å; C539-L546 WeakPolarHBondContact O-CA 3.36Å; C539-Q547 PolarHBondContact N-O 3.35Å; C539-Q547 PolarHBondContact O-N 2.87Å; C539-S549 PolarHBondContact SG-OG 3.11Å
540I91.3Very high90.5Very high0 Ų026.2 Ų26.20%014%0.142CC..EExtended strand (participates in β ladder)trans-110.5120.7-178.4-51.6-58.7000110.1C487 K489 G490 L492 V495 F511 W544 L546C487-I540 CarbonylContact C-O 3.55Å; C487-I540 WeakPolarHBondContact CB-O 3.24Å; K489-I540 HydrophobicContact CB-CB 3.82Å; K489-I540 HydrophobicContact CB-CG2 3.75Å; K489-I540 WeakPolarHBondContact CB-O 3.37Å; K489-I540 HydrophobicContact CG-CG2 4.26Å; K489-I540 PolarHBondContact N-O 3.32Å; G490-I540 PolarHBondContact O-N 2.96Å; L492-I540 HydrophobicContact CB-CD1 4.4Å; L492-I540 HydrophobicContact CD1-CD1 4.42Å; V495-I540 HydrophobicContact CG2-CB 4.44Å; V495-I540 HydrophobicContact CG2-CG1 4.04Å; F511-I540 HydrophobicContact CD1-CD1 4.13Å; F511-I540 HydrophobicContact CE1-CD1 3.91Å; F511-I540 HydrophobicContact CE1-CG2 4.33Å; F511-I540 HydrophobicContact CZ-CD1 4.37Å; I540-W544 HydrophobicContact CG2-CE3 4.17Å; I540-L546 HydrophobicContact CD1-CB 3.71Å; I540-L546 HydrophobicContact CD1-CD1 3.91Å; I540-L546 HydrophobicContact CD1-CG 3.79Å
541T86.8Confident90.4Very high24 Ų2426 Ų2615%0.14714%0.14CC..  trans-72167.8179.8620000111.8K489 R543 W544 S545 Q547K489-T541 WeakPolarHBondContact CG-O 3.5Å; T541-R543 PolarHBondContact O-N 3.48Å; T541-R543 VanDerWaalsContact O-N 3.12Å; T541-W544 PolarHBondContact O-N 3.01Å; T541-S545 PolarHBondContact N-O 3.19Å; T541-S545 PolarHBondContact OG1-N 3.01Å; T541-S545 VanDerWaalsContact OG1-N 3.11Å; T541-S545 PolarHBondContact OG1-O 2.94Å; T541-S545 VanDerWaalsContact OG1-O 3.04Å; T541-Q547 HydrophobicContact CG2-CG 3.93Å
542S80Confident90.2Very high79 Ų7925.2 Ų25.255%0.55213%0.133SC*.THydrogen-bonded Turntrans-58.8-22.417356.70000113.7
543R79Confident89.9Confident196 Ų19624 Ų2474%0.7413%0.126SC*.THydrogen-bonded Turntrans-94.814.8177.5-61.6-173.7178.5-166.7-0.2113.5T541 S545T541-R543 PolarHBondContact O-N 3.48Å; T541-R543 VanDerWaalsContact O-N 3.12Å; R543-S545 PolarHBondContact O-N 3.34Å
544W83.5Confident89Confident30 Ų3026.3 Ų26.311%0.11414%0.142CC..SBendtrans60.221.8-179.8-66.996.2000115.5V495 I501 F507 F511 I540 T541 I686V495-W544 HydrophobicContact CG1-CZ3 3.93Å; I501-W544 HydrophobicContact CD1-CH2 4.11Å; I501-W544 HydrophobicContact CG2-CH2 3.75Å; I501-W544 HydrophobicContact CG2-CZ3 4.26Å; F507-W544 HydrophobicContact CD1-CE3 4.18Å; F507-W544 HydrophobicContact CE1-CB 3.94Å; F507-W544 AromaticContact CE1-CD2 3.65Å; F507-W544 HydrophobicContact CE1-CD2 3.65Å; F507-W544 AromaticContact CE1-CE3 3.59Å; F507-W544 HydrophobicContact CE1-CE3 3.59Å; F507-W544 AromaticContact CE1-CG 3.85Å; F507-W544 HydrophobicContact CE1-CG 3.85Å; F507-W544 HydrophobicContact CE1-CZ3 4.19Å; F507-W544 HydrophobicContact CZ-CD2 4.26Å; F507-W544 HydrophobicContact CZ-CE3 4.49Å; F507-W544 HydrophobicContact CZ-CG 4.38Å; F511-W544 HydrophobicContact CE1-CE3 4.29Å; F511-W544 WeakPolarHBondContact CE1-O 3.39Å; F511-W544 AromaticContact CZ-CE3 3.76Å; F511-W544 HydrophobicContact CZ-CE3 3.76Å; F511-W544 HydrophobicContact CZ-CZ3 4.07Å; I540-W544 HydrophobicContact CG2-CE3 4.17Å; T541-W544 PolarHBondContact O-N 3.01Å; W544-I686 HydrophobicContact CB-CG2 4.47Å
545S89.2Confident88.1Confident30 Ų3028.9 Ų28.921%0.2116%0.155CC..  trans-89.1140.8167.7-174.60000110.3N466 D514 T541 R543N466-S545 PolarHBondContact ND2-OG 3.25Å; D514-S545 WeakPolarHBondContact OD2-CA 3.4Å; D514-S545 PolarHBondContact OD2-OG 3.11Å; T541-S545 PolarHBondContact N-O 3.19Å; T541-S545 PolarHBondContact OG1-N 3.01Å; T541-S545 VanDerWaalsContact OG1-N 3.11Å; T541-S545 PolarHBondContact OG1-O 2.94Å; T541-S545 VanDerWaalsContact OG1-O 3.04Å; R543-S545 PolarHBondContact O-N 3.34Å
546L94.6Very high87.3Confident0 Ų029.5 Ų29.50%016%0.158CC..EExtended strand (participates in β ladder)trans-90.1133.8179-177.4157.8000110.2N466 L492 F511 D514 L515 C538 C539 I540 V548N466-L546 WeakPolarHBondContact CA-O 3.43Å; N466-L546 WeakPolarHBondContact CB-O 2.83Å; N466-L546 PolarHBondContact ND2-O 2.86Å; L492-L546 HydrophobicContact CB-CD1 4.44Å; L492-L546 HydrophobicContact CD1-CD1 4.33Å; L492-L546 HydrophobicContact CD2-CD1 3.94Å; L492-L546 HydrophobicContact CG-CD1 4.47Å; F511-L546 HydrophobicContact CB-CD1 3.98Å; F511-L546 HydrophobicContact CD1-CB 4.15Å; F511-L546 HydrophobicContact CG-CD1 4.44Å; D514-L546 HydrophobicContact CB-CB 3.85Å; D514-L546 PolarHBondContact OD2-N 3.02Å; L515-L546 HydrophobicContact CB-CD1 4.43Å; L515-L546 HydrophobicContact CB-CD2 3.92Å; L515-L546 HydrophobicContact CD1-CD2 4.03Å; C538-L546 HydrophobicContact CB-CD1 4.05Å; C538-L546 HydrophobicContact CB-CD2 4.13Å; C538-L546 HydrophobicContact CB-CG 4.15Å; C539-L546 WeakPolarHBondContact O-CA 3.36Å; I540-L546 HydrophobicContact CD1-CB 3.71Å; I540-L546 HydrophobicContact CD1-CD1 3.91Å; I540-L546 HydrophobicContact CD1-CG 3.79Å; L546-V548 HydrophobicContact CD2-CG2 4.32Å
547Q96.2Very high86.6Confident21 Ų2127.7 Ų27.710%0.09815%0.145CC..EExtended strand (participates in β ladder)trans-122.1129.2175.5-64.6-170.8-26.700111.6D465 N466 N468 C538 C539 T541D465-Q547 WeakPolarHBondContact O-CG 3.38Å; D465-Q547 PolarHBondContact O-NE2 2.99Å; N466-Q547 WeakPolarHBondContact O-CA 3.44Å; N468-Q547 HydrophobicContact CB-CB 3.9Å; N468-Q547 PolarHBondContact ND2-OE1 3.2Å; C538-Q547 CarbonylContact C-O 3.51Å; C539-Q547 PolarHBondContact N-O 3.35Å; C539-Q547 PolarHBondContact O-N 2.87Å; T541-Q547 HydrophobicContact CG2-CG 3.93Å
548V96.6Very high85.3Confident1 Ų130.6 Ų30.61%0.00616%0.158CC..EExtended strand (participates in β ladder)trans-76.5126.2175.7-172.30000109.3N466 N468 L515 L519 H530 L533 L546N466-V548 PolarHBondContact O-N 2.76Å; N468-V548 WeakPolarHBondContact CB-O 3.35Å; N468-V548 PolarHBondContact N-O 2.95Å; L515-V548 HydrophobicContact CD1-CG2 3.74Å; L519-V548 HydrophobicContact CD2-CG1 4.23Å; L519-V548 HydrophobicContact CG-CG2 4.4Å; H530-V548 WeakPolarHBondContact CD2-CG1 3.35Å; H530-V548 WeakPolarHBondContact NE2-CG1 3.25Å; L533-V548 HydrophobicContact CD1-CG1 4.44Å; L546-V548 HydrophobicContact CD2-CG2 4.32Å
549S93.4Very high83.5Confident6 Ų632.6 Ų32.64%0.04218%0.178CC..  trans-127.4-178-176.385.20000111.5H530 N537 C539 F551H530-S549 PolarHBondContact CE1-O 2.87Å; H530-S549 PolarHBondContact NE2-O 2.99Å; N537-S549 WeakPolarHBondContact O-CA 3.37Å; N537-S549 PolarHBondContact O-N 2.92Å; N537-S549 PolarHBondContact O-OG 3.37Å; N537-S549 VanDerWaalsContact O-OG 3.07Å; C539-S549 PolarHBondContact SG-OG 3.11Å; S549-F551 PolarHBondContact O-N 2.77Å
550D88.2Confident82.2Confident2 Ų233.2 Ų33.21%0.01118%0.179CC..SBendtrans56.421.2177.1-139.240.9000118.7K437 R484 N532 N537 R557K437-D550 VanDerWaalsContact NZ-CG 3.34Å; K437-D550 IonicContact NZ-OD1 3.48Å; K437-D550 IonicContact NZ-OD2 3.84Å; K437-D550 PolarHBondContact NZ-OD2 2.82Å; R484-D550 VanDerWaalsContact CZ-CA 3.45Å; R484-D550 IonicContact CZ-OD1 2.84Å; R484-D550 IonicContact NE-OD1 2.66Å; R484-D550 VanDerWaalsContact NH1-CA 3.32Å; R484-D550 IonicContact NH2-OD1 2.67Å; R484-D550 PolarHBondContact NH2-OD1 2.95Å; N532-D550 PolarHBondContact ND2-OD2 2.77Å; N537-D550 HydrophobicContact CB-CB 3.96Å; N537-D550 VanDerWaalsContact OD1-CB 3.28Å; N537-D550 WeakPolarHBondContact OD1-CB 3.18Å; N537-D550 PolarHBondContact OD1-OD2 3.02Å; D550-R557 PolarHBondContact O-NH2 2.01Å; D550-R557 VanDerWaalsContact O-NH2 3.11Å; D550-R557 IonicContact OD1-CZ 2.84Å; D550-R557 IonicContact OD1-NH1 3.31Å; D550-R557 IonicContact OD1-NH2 3.3Å; D550-R557 PolarHBondContact OD1-NH2 3.5Å; D550-R557 IonicContact OD2-CZ 3.26Å; D550-R557 IonicContact OD2-NH1 2.7Å; D550-R557 PolarHBondContact OD2-NH1 3.14Å; D550-R557 IonicContact OD2-NH2 3.25Å; D550-R557 PolarHBondContact OD2-NH2 2.55Å
551F90.2Very high80.7Confident1 Ų135.2 Ų35.20%0.00419%0.191CC..  trans-80.5159.8171.459.7-92.4000113.3M459 L462 V467 L522 I527 H530 S549M459-F551 HydrophobicContact CE-CD2 4.21Å; M459-F551 HydrophobicContact CE-CE2 4.13Å; M459-F551 WeakPolarHBondContact CE-O 3.12Å; M459-F551 HydrophobicContact CG-CE2 4.38Å; L462-F551 HydrophobicContact CD1-CE2 3.69Å; L462-F551 HydrophobicContact CD1-CZ 4.11Å; V467-F551 HydrophobicContact CG1-CD1 4.46Å; V467-F551 HydrophobicContact CG1-CE1 3.4Å; V467-F551 VanDerWaalsContact CG1-CE1 3.4Å; V467-F551 HydrophobicContact CG1-CZ 3.49Å; V467-F551 VanDerWaalsContact CG1-CZ 3.49Å; L522-F551 HydrophobicContact CD1-CD1 4.36Å; L522-F551 HydrophobicContact CD1-CD2 3.67Å; L522-F551 HydrophobicContact CD1-CE2 3.88Å; L522-F551 HydrophobicContact CD1-CG 3.94Å; L522-F551 HydrophobicContact CD1-CZ 4.32Å; L522-F551 HydrophobicContact CD2-CB 3.77Å; L522-F551 HydrophobicContact CD2-CD1 4.27Å; L522-F551 HydrophobicContact CD2-CD2 4.42Å; L522-F551 HydrophobicContact CD2-CG 3.9Å; I527-F551 HydrophobicContact CG2-CD2 4.41Å; H530-F551 HydrophobicContact CB-CB 4.48Å; S549-F551 PolarHBondContact O-N 2.77Å
552G84.1Confident79.5Confident11 Ų1138.1 Ų38.111%0.11320%0.2CC..  trans71.8-168.2175.700000115.2S554 R557G552-S554 VanDerWaalsContact C-N 3.33Å; G552-R557 PolarHBondContact O-NE 3.28Å; G552-R557 VanDerWaalsContact O-NE 3.12Å
553L80.8Confident78.2Confident0 Ų041.9 Ų41.90%021%0.214CC..  trans62.638-177.3-54.3174.8000112.5E455 M456 M459 F470 I473 V482 E555 L556 R557E455-L553 PolarHBondContact OE1-N 2.89Å; M456-L553 HydrophobicContact CE-CD2 3.79Å; M456-L553 HydrophobicContact CG-CD2 3.73Å; M459-L553 HydrophobicContact CE-CD1 4.42Å; M459-L553 HydrophobicContact CE-CD2 4.49Å; M459-L553 HydrophobicContact CE-CG 4.01Å; M459-L553 HydrophobicContact SD-CD2 3.75Å; M459-L553 HydrophobicContact SD-CG 3.78Å; F470-L553 HydrophobicContact CE2-CD1 4.22Å; I473-L553 HydrophobicContact CG2-CD1 4.3Å; V482-L553 HydrophobicContact CG1-CD1 4.2Å; V482-L553 HydrophobicContact CG2-CD1 3.8Å; L553-E555 PolarHBondContact O-N 3.21Å; L553-L556 HydrophobicContact CB-CB 4.03Å; L553-L556 HydrophobicContact CD2-CD1 4.01Å; L553-L556 WeakPolarHBondContact O-CB 3.4Å; L553-L556 PolarHBondContact O-N 2.96Å; L553-L556 VanDerWaalsContact O-N 3.14Å; L553-R557 WeakPolarHBondContact O-CG 2.96Å; L553-R557 PolarHBondContact O-N 2.95Å
554S75.5Confident77.6Confident50 Ų5034.8 Ų34.835%0.3519%0.194SC..THydrogen-bonded Turntrans-61.1-41.5-17351.90000113.5G552 L556G552-S554 VanDerWaalsContact C-N 3.33Å; S554-L556 VanDerWaalsContact C-N 3.35Å
555E75.1Confident77Confident72 Ų7236.8 Ų36.834%0.33621%0.207SC..THydrogen-bonded Turntrans-69.5-32.9175.9-169.2-176.4-178.500112.2S449 T452 L553 E558S449-E555 WeakPolarHBondContact CB-OE1 3.36Å; S449-E555 VanDerWaalsContact OG-CD 3.24Å; S449-E555 PolarHBondContact OG-OE1 3.33Å; S449-E555 VanDerWaalsContact OG-OE1 3.09Å; S449-E555 PolarHBondContact OG-OE2 2.98Å; T452-E555 PolarHBondContact OG1-OE2 3.39Å; L553-E555 PolarHBondContact O-N 3.21Å; E555-E558 WeakPolarHBondContact O-CB 3.39Å; E555-E558 PolarHBondContact O-N 2.96Å
556L76.2Confident76.5Confident13 Ų1336.8 Ų36.87%0.06820%0.204CC..THydrogen-bonded Turntrans-73.6-36.9178.4-107.7163.7000112.1Y441 L448 T452 M456 I473 I480 L553 S554 E558Y441-L556 WeakPolarHBondContact CE1-O 3.43Å; Y441-L556 WeakPolarHBondContact OH-CD2 3.45Å; Y441-L556 PolarHBondContact OH-O 2.81Å; L448-L556 HydrophobicContact CD2-CD1 3.84Å; L448-L556 HydrophobicContact CD2-CD2 4.37Å; L448-L556 HydrophobicContact CD2-CG 4.34Å; T452-L556 HydrophobicContact CG2-CD1 3.35Å; T452-L556 HydrophobicContact CG2-CG 3.87Å; M456-L556 HydrophobicContact CE-CD1 3.14Å; I473-L556 HydrophobicContact CD1-CD1 4.35Å; I480-L556 HydrophobicContact CD1-CD2 3.16Å; I480-L556 HydrophobicContact CG1-CD2 4.46Å; L553-L556 HydrophobicContact CB-CB 4.03Å; L553-L556 HydrophobicContact CD2-CD1 4.01Å; L553-L556 WeakPolarHBondContact O-CB 3.4Å; L553-L556 PolarHBondContact O-N 2.96Å; L553-L556 VanDerWaalsContact O-N 3.14Å; S554-L556 VanDerWaalsContact C-N 3.35Å; L556-E558 PolarHBondContact O-N 3.41Å; L556-E558 VanDerWaalsContact O-N 3.15Å
557R75.4Confident75.8Confident16 Ų1637.7 Ų37.76%0.0621%0.213CC..THydrogen-bonded Turntrans-72-0.8174.2-66.1173.9-169.7-95.71.9112.7I439 D550 G552 L553 G559 Q560 P585I439-R557 HydrophobicContact CD1-CG 4.24Å; D550-R557 PolarHBondContact O-NH2 2.01Å; D550-R557 VanDerWaalsContact O-NH2 3.11Å; D550-R557 IonicContact OD1-CZ 2.84Å; D550-R557 IonicContact OD1-NH1 3.31Å; D550-R557 IonicContact OD1-NH2 3.3Å; D550-R557 PolarHBondContact OD1-NH2 3.5Å; D550-R557 IonicContact OD2-CZ 3.26Å; D550-R557 IonicContact OD2-NH1 2.7Å; D550-R557 PolarHBondContact OD2-NH1 3.14Å; D550-R557 IonicContact OD2-NH2 3.25Å; D550-R557 PolarHBondContact OD2-NH2 2.55Å; G552-R557 PolarHBondContact O-NE 3.28Å; G552-R557 VanDerWaalsContact O-NE 3.12Å; L553-R557 WeakPolarHBondContact O-CG 2.96Å; L553-R557 PolarHBondContact O-N 2.95Å; R557-G559 PolarHBondContact O-N 3.31Å; R557-Q560 WeakPolarHBondContact O-CB 3.19Å; R557-Q560 PolarHBondContact O-N 3.01Å; R557-P585 HydrophobicContact CB-CB 4.34Å
558E66.1Low75.3Confident68 Ų6837.1 Ų37.132%0.31821%0.211SC..THydrogen-bonded Turntrans-72.5115.7177.9-166.2172.9-13400112R446 E555 L556 P585R446-E558 IonicContact CZ-OE2 3.56Å; R446-E558 IonicContact NH1-OE2 2.75Å; R446-E558 PolarHBondContact NH1-OE2 2.84Å; R446-E558 IonicContact NH2-OE2 3.42Å; R446-E558 PolarHBondContact NH2-OE2 3.32Å; E555-E558 WeakPolarHBondContact O-CB 3.39Å; E555-E558 PolarHBondContact O-N 2.96Å; L556-E558 PolarHBondContact O-N 3.41Å; L556-E558 VanDerWaalsContact O-N 3.15Å; E558-P585 VanDerWaalsContact CA-CG 3.45Å; E558-P585 HydrophobicContact CB-CG 3.66Å; E558-P585 HydrophobicContact CG-CG 3.95Å
559G58.5Low75Confident41 Ų4137.4 Ų37.442%0.42321%0.212SC..THydrogen-bonded Turntrans84.813.8-172.800000114.4R557R557-G559 PolarHBondContact O-N 3.31Å
560Q66Low75Confident37 Ų3737.7 Ų37.717%0.17321%0.213CC..BIsolated β-bridgetrans-60.5134.4168.8176.2174.8-3.500110.1I439 R557 Y562I439-Q560 HydrophobicContact CG2-CB 4.1Å; I439-Q560 HydrophobicContact CG2-CG 3.92Å; R557-Q560 WeakPolarHBondContact O-CB 3.19Å; R557-Q560 PolarHBondContact O-N 3.01Å; Q560-Y562 HydrophobicContact CB-CE2 4.49Å
561V59Low75.1Confident41 Ų4138.4 Ų38.425%0.24822%0.217CC..  trans-77.7120.3170.8-166.60000108.4R440 H442R440-V561 PolarHBondContact O-N 2.87Å; H442-V561 VanDerWaalsContact CE1-CG1 3.47Å; H442-V561 WeakPolarHBondContact CE1-CG1 3.4Å; H442-V561 WeakPolarHBondContact CE1-CG2 3.32Å; H442-V561 VanDerWaalsContact ND1-CG2 3.25Å; H442-V561 WeakPolarHBondContact ND1-CG2 3.39Å; H442-V561 WeakPolarHBondContact NE2-CG2 3.03Å
562Y62.7Low75.2Confident85 Ų8538.4 Ų38.433%0.33322%0.217SC..  trans-92.4115.7172.2-67.1-83.6000108.9Q560 S564Q560-Y562 HydrophobicContact CB-CE2 4.49Å; Y562-S564 VanDerWaalsContact C-N 3.25Å; Y562-S564 PolarHBondContact O-N 3.43Å
563N53.3Low75.6Confident159 Ų15937.9 Ų37.985%0.8521%0.212SC*.SBendtrans-70-21.1-179.8-72.1-5.2000112.9
564S64.8Low76.1Confident46 Ų4639.8 Ų39.832%0.32222%0.221SC..  trans-147.8145.1178.2790000112.9Y562 E566Y562-S564 VanDerWaalsContact C-N 3.25Å; Y562-S564 PolarHBondContact O-N 3.43Å; S564-E566 PolarHBondContact O-N 3.11Å
565N72.3Confident76.7Confident72 Ų7238.6 Ų38.639%0.38521%0.21SC..G310 helixtrans-67.2-16.9173.8-72.6-15.5000112.5G567 L568 L627N565-G567 PolarHBondContact O-N 3.1Å; N565-L568 VanDerWaalsContact O-CB 3.31Å; N565-L568 WeakPolarHBondContact O-CB 3.31Å; N565-L568 PolarHBondContact O-N 3.22Å; N565-L627 HydrophobicContact CB-CD1 4.16Å; N565-L627 WeakPolarHBondContact O-CD1 3.37Å
566E77.5Confident77.3Confident30 Ų3035.2 Ų35.214%0.1419%0.194CC..G310 helixtrans-60-35.3-176.6-62.1-173.9160.800112.7S564 L568 L569 W570 R619 C623S564-E566 PolarHBondContact O-N 3.11Å; E566-L568 PolarHBondContact O-N 3.22Å; E566-L569 WeakPolarHBondContact O-CB 3.35Å; E566-L569 WeakPolarHBondContact O-CG 3.43Å; E566-L569 PolarHBondContact O-N 2.93Å; E566-L569 VanDerWaalsContact O-N 3.14Å; E566-W570 WeakPolarHBondContact O-CZ3 3.36Å; E566-R619 VanDerWaalsContact CD-NE 3.33Å; E566-R619 WeakPolarHBondContact OE1-CD 3.38Å; E566-R619 VanDerWaalsContact OE1-CG 3.31Å; E566-R619 WeakPolarHBondContact OE1-CG 3.41Å; E566-R619 IonicContact OE1-CZ 2.82Å; E566-R619 IonicContact OE1-NE 3.37Å; E566-R619 PolarHBondContact OE1-NE 2.95Å; E566-R619 IonicContact OE1-NH2 3.72Å; E566-R619 IonicContact OE2-CZ 2.74Å; E566-R619 IonicContact OE2-NE 2.6Å; E566-R619 PolarHBondContact OE2-NE 3.17Å; E566-R619 IonicContact OE2-NH2 3.52Å; E566-R619 PolarHBondContact OE2-NH2 3Å; E566-C623 VanDerWaalsContact CA-SG 3.53Å; E566-C623 HydrophobicContact CG-CB 4.19Å
567G80.3Confident77.9Confident19 Ų1939.1 Ų39.120%0.19621%0.208CC..G310 helixtrans-58.8-15.6175.300000113.7K534 N565K534-G567 WeakPolarHBondContact CE-O 2.93Å; K534-G567 PolarHBondContact NZ-O 3.36Å; N565-G567 PolarHBondContact O-N 3.1Å
568L86.1Confident78.3Confident9 Ų942.4 Ų42.45%0.04724%0.238CC..G310 helixtrans-91.1-7.4-178-59.8171.1000113.6N565 E566 W570 T571 L576 F582 F586 L627N565-L568 VanDerWaalsContact O-CB 3.31Å; N565-L568 WeakPolarHBondContact O-CB 3.31Å; N565-L568 PolarHBondContact O-N 3.22Å; E566-L568 PolarHBondContact O-N 3.22Å; L568-W570 PolarHBondContact O-N 2.84Å; L568-T571 VanDerWaalsContact O-CB 3.25Å; L568-T571 WeakPolarHBondContact O-CB 3.21Å; L568-T571 PolarHBondContact O-N 2.94Å; L568-T571 PolarHBondContact O-OG1 2.85Å; L568-L576 HydrophobicContact CB-CD2 4.26Å; L568-F582 HydrophobicContact CD1-CD1 3.7Å; L568-F582 HydrophobicContact CD1-CD2 3.99Å; L568-F582 HydrophobicContact CD1-CE1 3.74Å; L568-F582 HydrophobicContact CD1-CE2 4.01Å; L568-F582 HydrophobicContact CD1-CG 3.83Å; L568-F582 HydrophobicContact CD1-CZ 3.9Å; L568-F586 HydrophobicContact CD2-CE2 3.75Å; L568-L627 HydrophobicContact CB-CD1 4.04Å; L568-L627 HydrophobicContact CB-CD2 3.8Å; L568-L627 HydrophobicContact CB-CG 4.39Å; L568-L627 HydrophobicContact CD1-CD2 4.13Å
569L90.2Very high78.8Confident7 Ų740 Ų404%0.03723%0.228CC..THydrogen-bonded Turntrans-63.2-26.5-177.1-67.6171.8000113.2E566 T571 P610 F611 I613 T626 L627E566-L569 WeakPolarHBondContact O-CB 3.35Å; E566-L569 WeakPolarHBondContact O-CG 3.43Å; E566-L569 PolarHBondContact O-N 2.93Å; E566-L569 VanDerWaalsContact O-N 3.14Å; L569-T571 VanDerWaalsContact C-N 3.34Å; L569-P610 HydrophobicContact CB-CB 4.02Å; L569-P610 HydrophobicContact CB-CG 4.22Å; L569-P610 HydrophobicContact CD1-CB 4.23Å; L569-P610 HydrophobicContact CD1-CG 3.74Å; L569-F611 HydrophobicContact CB-CD2 4.31Å; L569-F611 HydrophobicContact CB-CE2 4.38Å; L569-F611 HydrophobicContact CD2-CD2 4.3Å; L569-F611 WeakPolarHBondContact O-CE2 3.48Å; L569-I613 HydrophobicContact CD1-CD1 4.02Å; L569-I613 HydrophobicContact CD2-CD1 4.37Å; L569-T626 HydrophobicContact CD2-CG2 3.98Å; L569-L627 HydrophobicContact CD2-CD1 3.8Å; L569-L627 HydrophobicContact CD2-CG 4.29Å; L569-L627 HydrophobicContact CG-CD1 4.22Å
570W92.6Very high79.3Confident13 Ų1340.9 Ų40.95%0.04923%0.226CC..THydrogen-bonded Turntrans-82.8-11.1175.2-63.2-94.2000113.9L533 K534 S535 E566 L568 S596 I599 E603 P610L533-W570 WeakPolarHBondContact O-CB 3.24Å; K534-W570 HydrophobicContact CB-CD2 3.84Å; K534-W570 HydrophobicContact CB-CE3 4.22Å; K534-W570 HydrophobicContact CB-CG 4.02Å; K534-W570 HydrophobicContact CD-CD2 4.11Å; K534-W570 HydrophobicContact CD-CE3 3.67Å; K534-W570 HydrophobicContact CD-CZ3 4.16Å; K534-W570 HydrophobicContact CG-CB 3.9Å; K534-W570 HydrophobicContact CG-CD2 3.7Å; K534-W570 HydrophobicContact CG-CE3 3.82Å; K534-W570 HydrophobicContact CG-CG 3.74Å; S535-W570 WeakPolarHBondContact OG-CZ2 3.5Å; E566-W570 WeakPolarHBondContact O-CZ3 3.36Å; L568-W570 PolarHBondContact O-N 2.84Å; W570-S596 WeakPolarHBondContact O-CB 3.28Å; W570-S596 PolarHBondContact O-OG 3.25Å; W570-I599 VanDerWaalsContact CD1-CG2 3.5Å; W570-I599 HydrophobicContact CG-CG2 4.21Å; W570-E603 PolarHBondContact NE1-OE1 3.18Å; W570-P610 HydrophobicContact CD2-CB 4.49Å; W570-P610 HydrophobicContact CH2-CB 4.31Å; W570-P610 HydrophobicContact CH2-CG 3.56Å; W570-P610 HydrophobicContact CZ2-CB 3.86Å; W570-P610 HydrophobicContact CZ2-CG 3.5Å; W570-P610 VanDerWaalsContact CZ2-CG 3.5Å; W570-P610 HydrophobicContact CZ3-CG 4.19Å
571T90.4Very high79.4Confident16 Ų1644.7 Ų44.710%0.09825%0.248CC..SBendtrans-77.2136.5-172.2-54.70000110.5L568 L569 L575 L576 F586 Y595L568-T571 VanDerWaalsContact O-CB 3.25Å; L568-T571 WeakPolarHBondContact O-CB 3.21Å; L568-T571 PolarHBondContact O-N 2.94Å; L568-T571 PolarHBondContact O-OG1 2.85Å; L569-T571 VanDerWaalsContact C-N 3.34Å; T571-L575 HydrophobicContact CG2-CB 3.92Å; T571-L575 HydrophobicContact CG2-CD1 4.29Å; T571-L576 HydrophobicContact CG2-CD2 3.79Å; T571-L576 HydrophobicContact CG2-CG 3.87Å; T571-F586 HydrophobicContact CG2-CD2 3.99Å; T571-F586 HydrophobicContact CG2-CE2 4.08Å; T571-F586 HydrophobicContact CG2-CG 4.25Å; T571-F586 HydrophobicContact CG2-CZ 4.37Å; T571-Y595 WeakPolarHBondContact O-CE1 3.48Å
572A93.3Very high79.8Confident1 Ų145.4 Ų45.41%0.00825%0.248CC..  trans-64.8145-177.900000113E574 L575 L576 A592 Y595A572-E574 VanDerWaalsContact C-N 3.3Å; A572-E574 VanDerWaalsContact CB-CD 3.5Å; A572-E574 VanDerWaalsContact CB-OE1 3.29Å; A572-E574 WeakPolarHBondContact CB-OE1 3.17Å; A572-E574 VanDerWaalsContact CB-OE2 3.32Å; A572-E574 WeakPolarHBondContact CB-OE2 3.01Å; A572-E574 PolarHBondContact O-N 3.31Å; A572-L575 WeakPolarHBondContact O-CB 3.5Å; A572-L575 PolarHBondContact O-N 2.96Å; A572-L576 PolarHBondContact O-N 3.37Å; A572-A592 HydrophobicContact CB-CB 3.79Å; A572-Y595 VanDerWaalsContact CA-CD1 3.48Å; A572-Y595 HydrophobicContact CB-CD1 3.9Å; A572-Y595 HydrophobicContact CB-CG 3.88Å
573P92.3Very high79.4Confident0 Ų046.6 Ų46.60%026%0.259CS..Hα-helixtrans-57.6-38.3-174.2-23.431000113.9L575 L576 R577 Y595 V630P573-L575 VanDerWaalsContact C-N 3.28Å; P573-L575 PolarHBondContact O-N 3.2Å; P573-L576 PolarHBondContact O-N 3.49Å; P573-R577 WeakPolarHBondContact O-CB 3.37Å; P573-R577 VanDerWaalsContact O-CG 3.29Å; P573-R577 WeakPolarHBondContact O-CG 3.48Å; P573-R577 PolarHBondContact O-N 2.93Å; P573-Y595 HydrophobicContact CG-CE2 3.98Å; P573-V630 HydrophobicContact CB-CG1 4.33Å; P573-V630 HydrophobicContact CG-CG1 4.03Å
574E90.9Very high79.4Confident41 Ų4144.8 Ų44.819%0.19224%0.244CC..Hα-helixtrans-65-33.4179.771.1-79-169.700112.6A572 A578 P661 R664A572-E574 VanDerWaalsContact C-N 3.3Å; A572-E574 VanDerWaalsContact CB-CD 3.5Å; A572-E574 VanDerWaalsContact CB-OE1 3.29Å; A572-E574 WeakPolarHBondContact CB-OE1 3.17Å; A572-E574 VanDerWaalsContact CB-OE2 3.32Å; A572-E574 WeakPolarHBondContact CB-OE2 3.01Å; A572-E574 PolarHBondContact O-N 3.31Å; E574-A578 WeakPolarHBondContact O-CB 2.97Å; E574-A578 PolarHBondContact O-N 3.48Å; E574-P661 HydrophobicContact CB-CG 4.13Å; E574-P661 HydrophobicContact CG-CG 3.68Å; E574-R664 VanDerWaalsContact CD-NH1 3.34Å; E574-R664 IonicContact OE1-CZ 3.63Å; E574-R664 IonicContact OE1-NH1 3.62Å; E574-R664 PolarHBondContact OE1-NH1 2.93Å; E574-R664 IonicContact OE1-NH2 2.92Å; E574-R664 IonicContact OE2-CZ 3.94Å; E574-R664 IonicContact OE2-NH1 3.41Å; E574-R664 PolarHBondContact OE2-NH1 3.12Å; E574-R664 IonicContact OE2-NH2 3.38Å; E574-R664 PolarHBondContact OE2-NH2 3.35Å
575L88.7Confident79Confident24 Ų2443.9 Ų43.913%0.12624%0.237CC..Hα-helixtrans-71.2-49.9176.5-68.6-178.9000109T571 A572 P573 R577 A578 N579 F586 A592T571-L575 HydrophobicContact CG2-CB 3.92Å; T571-L575 HydrophobicContact CG2-CD1 4.29Å; A572-L575 WeakPolarHBondContact O-CB 3.5Å; A572-L575 PolarHBondContact O-N 2.96Å; P573-L575 VanDerWaalsContact C-N 3.28Å; P573-L575 PolarHBondContact O-N 3.2Å; L575-R577 VanDerWaalsContact C-N 3.3Å; L575-R577 PolarHBondContact O-N 3.33Å; L575-A578 PolarHBondContact O-N 2.67Å; L575-A578 VanDerWaalsContact O-N 3.07Å; L575-N579 PolarHBondContact O-N 2.97Å; L575-F586 HydrophobicContact CB-CB 4.41Å; L575-F586 HydrophobicContact CB-CD1 3.6Å; L575-F586 HydrophobicContact CB-CE1 4.13Å; L575-F586 HydrophobicContact CB-CG 4.14Å; L575-F586 HydrophobicContact CD1-CB 4.14Å; L575-F586 WeakPolarHBondContact O-CD1 3.5Å; L575-F586 WeakPolarHBondContact O-CE1 3.42Å; L575-A592 HydrophobicContact CD1-CB 3.43Å; L575-A592 VanDerWaalsContact CD1-CB 3.43Å; L575-A592 HydrophobicContact CG-CB 4.18Å
576L87.9Confident78.7Confident1 Ų142.2 Ų42.21%0.00523%0.226CC..Hα-helixtrans-57.2-41.1178.4-63.3171.6000112.4L568 T571 A572 P573 N579 F582 F586 L627 V630 I631L568-L576 HydrophobicContact CB-CD2 4.26Å; T571-L576 HydrophobicContact CG2-CD2 3.79Å; T571-L576 HydrophobicContact CG2-CG 3.87Å; A572-L576 PolarHBondContact O-N 3.37Å; P573-L576 PolarHBondContact O-N 3.49Å; L576-N579 CarbonylContact O-C 3.12Å; L576-N579 PolarHBondContact O-N 3.21Å; L576-F582 HydrophobicContact CD2-CE1 3.94Å; L576-F586 HydrophobicContact CD2-CE2 4.33Å; L576-F586 HydrophobicContact CD2-CZ 3.83Å; L576-L627 HydrophobicContact CD1-CD2 4.39Å; L576-L627 HydrophobicContact CD2-CD2 4.26Å; L576-V630 HydrophobicContact CD1-CG1 3.82Å; L576-I631 HydrophobicContact CB-CD1 4.26Å; L576-I631 HydrophobicContact CB-CG1 3.75Å; L576-I631 HydrophobicContact CD1-CG1 4.18Å
577R87.5Confident78.4Confident96 Ų9649 Ų4936%0.36226%0.255SS..Hα-helixtrans-68.1-33176.4-71.9173.2-167.7146.18.9113.8P573 L575 N579 I631 E659P573-R577 WeakPolarHBondContact O-CB 3.37Å; P573-R577 VanDerWaalsContact O-CG 3.29Å; P573-R577 WeakPolarHBondContact O-CG 3.48Å; P573-R577 PolarHBondContact O-N 2.93Å; L575-R577 VanDerWaalsContact C-N 3.3Å; L575-R577 PolarHBondContact O-N 3.33Å; R577-N579 PolarHBondContact O-N 2.83Å; R577-I631 HydrophobicContact CG-CG2 4.04Å; R577-I631 PolarHBondContact NE-O 3.36Å; R577-I631 PolarHBondContact NH2-O 2.86Å; R577-E659 IonicContact CZ-OE1 3.09Å; R577-E659 IonicContact NH1-OE1 2.66Å; R577-E659 PolarHBondContact NH1-OE1 2.71Å; R577-E659 IonicContact NH2-OE1 2.66Å; R577-E659 PolarHBondContact NH2-OE1 3.28Å
578A83.8Confident78.4Confident84 Ų8449 Ų4969%0.69426%0.255SS*.Hα-helixtrans-72.9-16.8176.600000112.3E574 L575E574-A578 WeakPolarHBondContact O-CB 2.97Å; E574-A578 PolarHBondContact O-N 3.48Å; L575-A578 PolarHBondContact O-N 2.67Å; L575-A578 VanDerWaalsContact O-N 3.07Å
579N77.8Confident78.6Confident17 Ų1751.3 Ų51.39%0.09127%0.27CS..  trans-141.371.6175.5-166.34.1000112.3L575 L576 R577 D581 F582 L583 F584 F586L575-N579 PolarHBondContact O-N 2.97Å; L576-N579 CarbonylContact O-C 3.12Å; L576-N579 PolarHBondContact O-N 3.21Å; R577-N579 PolarHBondContact O-N 2.83Å; N579-D581 PolarHBondContact O-N 3.13Å; N579-F582 WeakPolarHBondContact O-CD1 3.31Å; N579-F582 PolarHBondContact O-N 3.31Å; N579-F582 VanDerWaalsContact O-N 3.12Å; N579-F582 PolarHBondContact OD1-N 3.39Å; N579-L583 PolarHBondContact ND2-N 3.28Å; N579-L583 PolarHBondContact OD1-N 3.38Å; N579-F584 WeakPolarHBondContact ND2-CA 3.23Å; N579-F584 PolarHBondContact ND2-N 3.04Å; N579-F584 PolarHBondContact ND2-O 3.32Å; N579-F586 HydrophobicContact CB-CD1 4.33Å; N579-F586 HydrophobicContact CB-CE1 3.67Å; N579-F586 HydrophobicContact CB-CZ 4.33Å
580P68.5Low78.8Confident61 Ų6154.8 Ų54.840%0.39629%0.286SS..THydrogen-bonded Turntrans-67-22.7-172.725.9-32.5000113.7
581D67.6Low79Confident117 Ų11758.3 Ų58.363%0.62630%0.299SS*.THydrogen-bonded Turntrans-94.81.6178.3-61-38.3000113N579 L583N579-D581 PolarHBondContact O-N 3.13Å; D581-L583 HydrophobicContact CB-CD1 3.65Å; D581-L583 HydrophobicContact CB-CG 3.66Å; D581-L583 PolarHBondContact O-N 2.96Å
582F67.6Low79.2Confident56 Ų5657.7 Ų57.725%0.24630%0.296CS..  trans56.522.8179.1-43.3-54000115L568 L576 N579 F584 F586 L627 I631L568-F582 HydrophobicContact CD1-CD1 3.7Å; L568-F582 HydrophobicContact CD1-CD2 3.99Å; L568-F582 HydrophobicContact CD1-CE1 3.74Å; L568-F582 HydrophobicContact CD1-CE2 4.01Å; L568-F582 HydrophobicContact CD1-CG 3.83Å; L568-F582 HydrophobicContact CD1-CZ 3.9Å; L576-F582 HydrophobicContact CD2-CE1 3.94Å; N579-F582 WeakPolarHBondContact O-CD1 3.31Å; N579-F582 PolarHBondContact O-N 3.31Å; N579-F582 VanDerWaalsContact O-N 3.12Å; N579-F582 PolarHBondContact OD1-N 3.39Å; F582-F584 VanDerWaalsContact C-N 3.26Å; F582-F584 PolarHBondContact O-N 3.04Å; F582-F586 HydrophobicContact CD1-CZ 4.09Å; F582-L627 HydrophobicContact CE1-CD2 4.31Å; F582-L627 HydrophobicContact CZ-CD2 3.88Å; F582-I631 HydrophobicContact CE1-CD1 4.46Å; F582-I631 HydrophobicContact CZ-CD1 4.22Å
583L54.5Low79.3Confident109 Ų10957.7 Ų57.757%0.57130%0.296SS*.  trans-74.4-10.3-170.3-68.5169.4000114.6N579 D581N579-L583 PolarHBondContact ND2-N 3.28Å; N579-L583 PolarHBondContact OD1-N 3.38Å; D581-L583 HydrophobicContact CB-CD1 3.65Å; D581-L583 HydrophobicContact CB-CG 3.66Å; D581-L583 PolarHBondContact O-N 2.96Å
584F53Low79.6Confident121 Ų12157.7 Ų57.753%0.53130%0.296SS..SBendtrans-145.4141.8-170.8-43-74.7000109.4N579 F582 F586N579-F584 WeakPolarHBondContact ND2-CA 3.23Å; N579-F584 PolarHBondContact ND2-N 3.04Å; N579-F584 PolarHBondContact ND2-O 3.32Å; F582-F584 VanDerWaalsContact C-N 3.26Å; F582-F584 PolarHBondContact O-N 3.04Å; F584-F586 PolarHBondContact O-N 3.45Å
585P55.6Low79.9Confident27 Ų2755.8 Ų55.818%0.17529%0.287CS..  trans-67134.8-178.731.3-35.4000108.9R557 E558 K587R557-P585 HydrophobicContact CB-CB 4.34Å; E558-P585 VanDerWaalsContact CA-CG 3.45Å; E558-P585 HydrophobicContact CB-CG 3.66Å; E558-P585 HydrophobicContact CG-CG 3.95Å; P585-K587 PolarHBondContact O-N 2.93Å; P585-K587 VanDerWaalsContact O-N 3.1Å
586F65.7Low80.2Confident37 Ų3755 Ų5516%0.16228%0.284CS..  trans-63.6118.6177.9-57.7-78000109.2L568 T571 L575 L576 N579 F582 F584 G588L568-F586 HydrophobicContact CD2-CE2 3.75Å; T571-F586 HydrophobicContact CG2-CD2 3.99Å; T571-F586 HydrophobicContact CG2-CE2 4.08Å; T571-F586 HydrophobicContact CG2-CG 4.25Å; T571-F586 HydrophobicContact CG2-CZ 4.37Å; L575-F586 HydrophobicContact CB-CB 4.41Å; L575-F586 HydrophobicContact CB-CD1 3.6Å; L575-F586 HydrophobicContact CB-CE1 4.13Å; L575-F586 HydrophobicContact CB-CG 4.14Å; L575-F586 HydrophobicContact CD1-CB 4.14Å; L575-F586 WeakPolarHBondContact O-CD1 3.5Å; L575-F586 WeakPolarHBondContact O-CE1 3.42Å; L576-F586 HydrophobicContact CD2-CE2 4.33Å; L576-F586 HydrophobicContact CD2-CZ 3.83Å; N579-F586 HydrophobicContact CB-CD1 4.33Å; N579-F586 HydrophobicContact CB-CE1 3.67Å; N579-F586 HydrophobicContact CB-CZ 4.33Å; F582-F586 HydrophobicContact CD1-CZ 4.09Å; F584-F586 PolarHBondContact O-N 3.45Å; F586-G588 PolarHBondContact O-N 3.35Å
587K71.1Confident80.7Confident173 Ų17355 Ų5575%0.75228%0.284SS*.  trans-67.794162.8-120.7178.7-178173.60106.6P585P585-K587 PolarHBondContact O-N 2.93Å; P585-K587 VanDerWaalsContact O-N 3.1Å
588G80.4Confident81.1Confident19 Ų1950.5 Ų50.520%0.19627%0.267CS..  trans-55.3156.7-178.600000112F586F586-G588 PolarHBondContact O-N 3.35Å
589T91.9Very high81.7Confident58 Ų5846.5 Ų46.536%0.35623%0.234SC..  trans-123.8159171.170.30000109.5R591 A592 D593T589-R591 PolarHBondContact O-N 3.29Å; T589-A592 WeakPolarHBondContact O-CB 3.44Å; T589-A592 PolarHBondContact O-N 2.89Å; T589-A592 WeakPolarHBondContact OG1-CB 3.36Å; T589-A592 PolarHBondContact OG1-N 3.4Å; T589-D593 PolarHBondContact O-N 2.83Å
590Q94.7Very high82.6Confident80 Ų8045.7 Ų45.737%0.37423%0.229SC..Hα-helixtrans-58.7-31.6175-66-170.5-17.800112.3H523 R528 V529 D593 S594H523-Q590 WeakPolarHBondContact CE1-CB 3.4Å; H523-Q590 VanDerWaalsContact CE1-CG 3.46Å; H523-Q590 WeakPolarHBondContact CE1-CG 3.15Å; H523-Q590 WeakPolarHBondContact ND1-CG 3.33Å; H523-Q590 PolarHBondContact O-NE2 3.03Å; R528-Q590 WeakPolarHBondContact O-CG 3.39Å; R528-Q590 PolarHBondContact O-NE2 2.77Å; V529-Q590 HydrophobicContact CG2-CG 3.98Å; Q590-D593 PolarHBondContact O-N 3.34Å; Q590-S594 PolarHBondContact O-N 3.06Å
591R96Very high83.9Confident86 Ų8642.8 Ų42.833%0.32521%0.21SC..Hα-helixtrans-76-27.7177-58.4-57.3-179.7109.211.4112.9T589 Y595 P661 D662 R664T589-R591 PolarHBondContact O-N 3.29Å; R591-Y595 PolarHBondContact O-N 3.13Å; R591-P661 HydrophobicContact CB-CB 4Å; R591-P661 WeakPolarHBondContact CB-O 3.47Å; R591-P661 WeakPolarHBondContact CD-O 3.05Å; R591-P661 WeakPolarHBondContact CG-O 3.16Å; R591-P661 PolarHBondContact NH1-O 2.87Å; R591-D662 PolarHBondContact NH1-O 3.08Å; R591-R664 PolarHBondContact NH1-O 2.92Å; R591-R664 VanDerWaalsContact O-CD 3.31Å; R591-R664 WeakPolarHBondContact O-CD 3.37Å; R591-R664 PolarHBondContact O-NH1 3.08Å; R591-R664 VanDerWaalsContact O-NH1 3.09Å
592A94.7Very high85.3Confident3 Ų337.2 Ų37.23%0.02518%0.181CC..Hα-helixtrans-72.1-39.7169.900000111.3A572 L575 T589 S594 Y595 S596A572-A592 HydrophobicContact CB-CB 3.79Å; L575-A592 HydrophobicContact CD1-CB 3.43Å; L575-A592 VanDerWaalsContact CD1-CB 3.43Å; L575-A592 HydrophobicContact CG-CB 4.18Å; T589-A592 WeakPolarHBondContact O-CB 3.44Å; T589-A592 PolarHBondContact O-N 2.89Å; T589-A592 WeakPolarHBondContact OG1-CB 3.36Å; T589-A592 PolarHBondContact OG1-N 3.4Å; A592-S594 PolarHBondContact O-N 3Å; A592-Y595 WeakPolarHBondContact O-CB 3.48Å; A592-Y595 PolarHBondContact O-N 3Å; A592-S596 PolarHBondContact O-N 2.96Å; A592-S596 PolarHBondContact O-OG 3.49Å
593D95.6Very high86.5Confident1 Ų134.6 Ų34.61%0.00517%0.169CC..Hα-helixtrans-59.4-36.8173.9-69.1-16.3000111.6H523 V529 H530 G531 T589 Q590 S596 F597 F667H523-D593 IonicContact CD2-OD2 2.98Å; H523-D593 IonicContact CE1-OD2 3.21Å; H523-D593 IonicContact NE2-OD2 2.76Å; H523-D593 PolarHBondContact NE2-OD2 2.77Å; V529-D593 WeakPolarHBondContact CG1-OD2 3.25Å; H530-D593 WeakPolarHBondContact CB-OD2 3.41Å; H530-D593 PolarHBondContact N-OD2 3.1Å; G531-D593 PolarHBondContact N-OD1 2.91Å; T589-D593 PolarHBondContact O-N 2.83Å; Q590-D593 PolarHBondContact O-N 3.34Å; D593-S596 PolarHBondContact O-N 3.04Å; D593-F597 WeakPolarHBondContact O-CB 3.29Å; D593-F597 PolarHBondContact O-N 3.31Å; D593-F667 HydrophobicContact CB-CE2 3.92Å; D593-F667 HydrophobicContact CB-CZ 4.07Å
594S97.5Very high88.4Confident1 Ų129.4 Ų29.41%0.00714%0.142CC..Hα-helixtrans-59.4-43.9173.3175.70000112Q590 A592 F597 G598 T656 P665Q590-S594 PolarHBondContact O-N 3.06Å; A592-S594 PolarHBondContact O-N 3Å; S594-F597 WeakPolarHBondContact O-CB 3.33Å; S594-F597 PolarHBondContact O-N 3.02Å; S594-G598 PolarHBondContact O-N 3.07Å; S594-G598 VanDerWaalsContact O-N 3.16Å; S594-T656 WeakPolarHBondContact O-CB 3.41Å; S594-P665 PolarHBondContact OG-O 3.39Å
595Y97.2Very high90.2Very high0 Ų025.6 Ų25.60%013%0.125CC..Hα-helixtrans-61-48.7175.1175.9-85.4000111.8T571 A572 P573 R591 A592 F597 G598 I599 T656 W657T571-Y595 WeakPolarHBondContact O-CE1 3.48Å; A572-Y595 VanDerWaalsContact CA-CD1 3.48Å; A572-Y595 HydrophobicContact CB-CD1 3.9Å; A572-Y595 HydrophobicContact CB-CG 3.88Å; P573-Y595 HydrophobicContact CG-CE2 3.98Å; R591-Y595 PolarHBondContact O-N 3.13Å; A592-Y595 WeakPolarHBondContact O-CB 3.48Å; A592-Y595 PolarHBondContact O-N 3Å; Y595-F597 VanDerWaalsContact C-N 3.28Å; Y595-F597 PolarHBondContact O-N 2.79Å; Y595-G598 WeakPolarHBondContact O-CA 3.47Å; Y595-G598 PolarHBondContact O-N 3.5Å; Y595-I599 HydrophobicContact CD1-CG1 4.31Å; Y595-I599 HydrophobicContact CE1-CD1 4.2Å; Y595-I599 HydrophobicContact CE1-CG1 3.86Å; Y595-I599 PolarHBondContact O-N 3.22Å; Y595-T656 WeakPolarHBondContact CA-O 3.49Å; Y595-W657 AromaticContact CD2-CD1 3.76Å; Y595-W657 AromaticContact CE2-CD1 3.81Å; Y595-W657 HydrophobicContact CE2-CG 4.39Å
596S96.2Very high91.8Very high9 Ų925.3 Ų25.36%0.06312%0.124CC..Hα-helixtrans-61-37.9179.4-56.60000111.9L533 W570 A592 D593 G598 I599 V600L533-S596 WeakPolarHBondContact O-CB 3.34Å; W570-S596 WeakPolarHBondContact O-CB 3.28Å; W570-S596 PolarHBondContact O-OG 3.25Å; A592-S596 PolarHBondContact O-N 2.96Å; A592-S596 PolarHBondContact O-OG 3.49Å; D593-S596 PolarHBondContact O-N 3.04Å; S596-G598 VanDerWaalsContact C-N 3.3Å; S596-G598 PolarHBondContact O-N 3.13Å; S596-I599 PolarHBondContact O-N 3.41Å; S596-V600 WeakPolarHBondContact O-CG2 3.42Å; S596-V600 PolarHBondContact O-N 3.06Å
597F97.7Very high92.8Very high1 Ų126.1 Ų26.10%0.00413%0.126CC..Hα-helixtrans-59.6-40.5172.4171.4-89.2000111.9V512 L515 L516 L519 L533 D593 S594 Y595 I599 V600 L601 T656 F667 I670 L674V512-F597 HydrophobicContact CG1-CZ 4.29Å; L515-F597 HydrophobicContact CD2-CD2 3.75Å; L515-F597 HydrophobicContact CD2-CE2 3.84Å; L515-F597 HydrophobicContact CG-CD2 4.07Å; L515-F597 HydrophobicContact CG-CE2 4.14Å; L516-F597 HydrophobicContact CD2-CD2 4.37Å; L516-F597 HydrophobicContact CD2-CE1 4.47Å; L516-F597 HydrophobicContact CD2-CE2 3.69Å; L516-F597 HydrophobicContact CD2-CZ 3.76Å; L516-F597 HydrophobicContact CG-CE2 3.95Å; L516-F597 HydrophobicContact CG-CZ 4.12Å; L519-F597 HydrophobicContact CD1-CD2 4.12Å; L533-F597 HydrophobicContact CD2-CB 4.04Å; D593-F597 WeakPolarHBondContact O-CB 3.29Å; D593-F597 PolarHBondContact O-N 3.31Å; S594-F597 WeakPolarHBondContact O-CB 3.33Å; S594-F597 PolarHBondContact O-N 3.02Å; Y595-F597 VanDerWaalsContact C-N 3.28Å; Y595-F597 PolarHBondContact O-N 2.79Å; F597-I599 VanDerWaalsContact C-N 3.29Å; F597-I599 PolarHBondContact O-N 3.16Å; F597-V600 PolarHBondContact O-N 3.39Å; F597-L601 HydrophobicContact CE1-CB 4.28Å; F597-L601 HydrophobicContact CE1-CD2 3.87Å; F597-L601 HydrophobicContact CZ-CD1 4.42Å; F597-L601 HydrophobicContact CZ-CD2 4.26Å; F597-L601 WeakPolarHBondContact O-CB 3.39Å; F597-L601 PolarHBondContact O-N 3.02Å; F597-T656 HydrophobicContact CD1-CG2 4.33Å; F597-F667 HydrophobicContact CB-CE1 3.67Å; F597-F667 HydrophobicContact CB-CZ 4.05Å; F597-F667 HydrophobicContact CD1-CE1 4.43Å; F597-F667 AromaticContact CD2-CE1 3.97Å; F597-F667 HydrophobicContact CD2-CE1 3.97Å; F597-F667 AromaticContact CG-CE1 3.76Å; F597-F667 HydrophobicContact CG-CE1 3.76Å; F597-I670 HydrophobicContact CD1-CD1 4.3Å; F597-I670 HydrophobicContact CD1-CG2 4.12Å; F597-I670 HydrophobicContact CE1-CG2 3.46Å; F597-I670 VanDerWaalsContact CE1-CG2 3.46Å; F597-I670 HydrophobicContact CZ-CG2 3.91Å; F597-L674 HydrophobicContact CE1-CD1 4.23Å; F597-L674 HydrophobicContact CZ-CD1 3.96Å
598G96.6Very high93.5Very high0 Ų020.5 Ų20.50%010%0.104CC..Hα-helixtrans-58.8-40.8175.600000112.6S594 Y595 S596 L601 H602 T656 W657S594-G598 PolarHBondContact O-N 3.07Å; S594-G598 VanDerWaalsContact O-N 3.16Å; Y595-G598 WeakPolarHBondContact O-CA 3.47Å; Y595-G598 PolarHBondContact O-N 3.5Å; S596-G598 VanDerWaalsContact C-N 3.3Å; S596-G598 PolarHBondContact O-N 3.13Å; G598-L601 PolarHBondContact O-N 2.82Å; G598-H602 PolarHBondContact O-N 3.34Å; G598-T656 VanDerWaalsContact CA-OG1 3.28Å; G598-T656 WeakPolarHBondContact CA-OG1 2.95Å; G598-W657 VanDerWaalsContact C-NE1 3.25Å; G598-W657 VanDerWaalsContact O-CZ2 3.24Å; G598-W657 WeakPolarHBondContact O-CZ2 3.19Å
599I96.5Very high93.7Very high0 Ų019.8 Ų19.80%010%0.097CC..Hα-helixtrans-65.8-46.6175.6-56.1-63.8000110.9W570 Y595 S596 F597 L601 H602 E603 P610 F611 P638 W657W570-I599 VanDerWaalsContact CD1-CG2 3.5Å; W570-I599 HydrophobicContact CG-CG2 4.21Å; Y595-I599 HydrophobicContact CD1-CG1 4.31Å; Y595-I599 HydrophobicContact CE1-CD1 4.2Å; Y595-I599 HydrophobicContact CE1-CG1 3.86Å; Y595-I599 PolarHBondContact O-N 3.22Å; S596-I599 PolarHBondContact O-N 3.41Å; F597-I599 VanDerWaalsContact C-N 3.29Å; F597-I599 PolarHBondContact O-N 3.16Å; I599-L601 VanDerWaalsContact C-N 3.29Å; I599-L601 PolarHBondContact O-N 3.15Å; I599-H602 WeakPolarHBondContact O-CB 3.31Å; I599-H602 PolarHBondContact O-N 3.06Å; I599-H602 VanDerWaalsContact O-N 3.16Å; I599-E603 WeakPolarHBondContact O-CG 3.48Å; I599-E603 PolarHBondContact O-N 2.87Å; I599-P610 HydrophobicContact CG2-CB 4.04Å; I599-F611 HydrophobicContact CD1-CE2 3.97Å; I599-F611 HydrophobicContact CD1-CZ 4.13Å; I599-P638 HydrophobicContact CD1-CG 3.57Å; I599-W657 HydrophobicContact CD1-CZ2 3.93Å
600V96.5Very high93.6Very high0 Ų017.3 Ų17.30%08%0.082CC..Hα-helixtrans-62.8-37.6177.3176.70000111.6L492 L515 S596 F597 E603 I604L492-V600 HydrophobicContact CD2-CG1 3.77Å; L515-V600 HydrophobicContact CD2-CG1 3.84Å; S596-V600 WeakPolarHBondContact O-CG2 3.42Å; S596-V600 PolarHBondContact O-N 3.06Å; F597-V600 PolarHBondContact O-N 3.39Å; V600-E603 WeakPolarHBondContact CA-OE1 3.26Å; V600-E603 WeakPolarHBondContact O-CB 3.33Å; V600-E603 PolarHBondContact O-N 2.88Å; V600-I604 HydrophobicContact CG1-CD1 4.34Å; V600-I604 WeakPolarHBondContact O-CG1 3.45Å; V600-I604 PolarHBondContact O-N 3.09Å
601L96.2Very high93.3Very high0 Ų014.6 Ų14.60%07%0.069CC..Hα-helixtrans-64.5-42.5175.9-170.163.3000110.5V512 F597 G598 I599 I604 F605 I649 M653 L674V512-L601 HydrophobicContact CG1-CD1 4.1Å; V512-L601 HydrophobicContact CG2-CD1 3.6Å; F597-L601 HydrophobicContact CE1-CB 4.28Å; F597-L601 HydrophobicContact CE1-CD2 3.87Å; F597-L601 HydrophobicContact CZ-CD1 4.42Å; F597-L601 HydrophobicContact CZ-CD2 4.26Å; F597-L601 WeakPolarHBondContact O-CB 3.39Å; F597-L601 PolarHBondContact O-N 3.02Å; G598-L601 PolarHBondContact O-N 2.82Å; I599-L601 VanDerWaalsContact C-N 3.29Å; I599-L601 PolarHBondContact O-N 3.15Å; L601-I604 PolarHBondContact O-N 3.35Å; L601-F605 HydrophobicContact CD1-CD2 4.39Å; L601-F605 HydrophobicContact CD1-CE2 3.93Å; L601-F605 HydrophobicContact CG-CE2 4.41Å; L601-F605 WeakPolarHBondContact O-CD2 3.37Å; L601-F605 PolarHBondContact O-N 3.02Å; L601-I649 HydrophobicContact CD2-CG2 4.31Å; L601-M653 HydrophobicContact CB-CE 4.26Å; L601-M653 HydrophobicContact CB-CG 4.36Å; L601-M653 HydrophobicContact CD2-CE 4.14Å; L601-M653 HydrophobicContact CD2-CG 3.71Å; L601-M653 HydrophobicContact CG-CE 3.65Å; L601-M653 HydrophobicContact CG-CG 4.1Å; L601-M653 WeakPolarHBondContact O-CE 3.09Å; L601-L674 HydrophobicContact CD2-CD1 4.21Å
602H95.3Very high92.7Very high0 Ų013 Ų130%07%0.066CC..Hα-helixtrans-59.3-45.9174173.2-92000111.7G598 I599 I604 F605 S606 D612 S639 L643 M653 W657G598-H602 PolarHBondContact O-N 3.34Å; I599-H602 WeakPolarHBondContact O-CB 3.31Å; I599-H602 PolarHBondContact O-N 3.06Å; I599-H602 VanDerWaalsContact O-N 3.16Å; H602-I604 VanDerWaalsContact C-N 3.31Å; H602-I604 PolarHBondContact O-N 3.18Å; H602-F605 PolarHBondContact O-N 3.35Å; H602-F605 VanDerWaalsContact O-N 3.13Å; H602-S606 WeakPolarHBondContact O-CB 3.47Å; H602-S606 PolarHBondContact O-N 3.05Å; H602-D612 IonicContact CE1-OD1 3.29Å; H602-D612 PolarHBondContact CE1-OD1 3.3Å; H602-D612 IonicContact CE1-OD2 3.21Å; H602-D612 PolarHBondContact CE1-OD2 2.93Å; H602-D612 IonicContact NE2-OD2 3.63Å; H602-S639 PolarHBondContact NE2-O 2.92Å; H602-L643 VanDerWaalsContact CD2-CD1 3.45Å; H602-L643 WeakPolarHBondContact CD2-CD1 3.31Å; H602-L643 WeakPolarHBondContact NE2-CD1 3.36Å; H602-M653 HydrophobicContact CB-SD 4.37Å; H602-W657 HydrophobicContact CB-CH2 3.79Å; H602-W657 HydrophobicContact CB-CZ2 3.76Å
603E93.9Very high91.9Very high1 Ų113.2 Ų13.21%0.0057%0.067CC..Hα-helixtrans-58.3-39.9176.4-74.4176.2-85.800113.4L496 S535 W570 I599 V600 F605 R607 G609 P610L496-E603 HydrophobicContact CD1-CB 4.17Å; S535-E603 WeakPolarHBondContact CB-OE2 3.2Å; S535-E603 PolarHBondContact OG-OE1 3.2Å; S535-E603 PolarHBondContact OG-OE2 2.95Å; W570-E603 PolarHBondContact NE1-OE1 3.18Å; I599-E603 WeakPolarHBondContact O-CG 3.48Å; I599-E603 PolarHBondContact O-N 2.87Å; V600-E603 WeakPolarHBondContact CA-OE1 3.26Å; V600-E603 WeakPolarHBondContact O-CB 3.33Å; V600-E603 PolarHBondContact O-N 2.88Å; E603-F605 PolarHBondContact O-N 3.15Å; E603-R607 WeakPolarHBondContact O-CA 3.37Å; E603-R607 PolarHBondContact O-N 3.23Å; E603-G609 VanDerWaalsContact CG-C 3.47Å; E603-P610 WeakPolarHBondContact OE2-CD 3.45Å
604I93.6Very high90.6Very high1 Ų114.4 Ų14.41%0.0058%0.075CC..Hα-helixtrans-59.5-38.3179.1-72.8168.5000111L492 L496 I508 V512 V600 L601 H602L492-I604 HydrophobicContact CD2-CD1 3.96Å; L492-I604 HydrophobicContact CD2-CG1 3.92Å; L496-I604 HydrophobicContact CD1-CG1 4.1Å; L496-I604 HydrophobicContact CD2-CG1 4.47Å; I508-I604 HydrophobicContact CB-CG2 4.28Å; I508-I604 HydrophobicContact CG1-CG2 4.26Å; I508-I604 HydrophobicContact CG2-CG2 3.48Å; I508-I604 VanDerWaalsContact CG2-CG2 3.48Å; V512-I604 HydrophobicContact CG2-CD1 3.83Å; V600-I604 HydrophobicContact CG1-CD1 4.34Å; V600-I604 WeakPolarHBondContact O-CG1 3.45Å; V600-I604 PolarHBondContact O-N 3.09Å; L601-I604 PolarHBondContact O-N 3.35Å; H602-I604 VanDerWaalsContact C-N 3.31Å; H602-I604 PolarHBondContact O-N 3.18Å
605F91.6Very high89.1Confident41 Ų4120.2 Ų20.218%0.1810%0.104CC..Hα-helixtrans-89.1-33.3-178.7-76.3-81.7000113.5I508 L601 H602 E603 L643 C645 I649 M653 M677I508-F605 HydrophobicContact CG2-CE1 3.98Å; I508-F605 HydrophobicContact CG2-CE2 4.13Å; I508-F605 HydrophobicContact CG2-CZ 3.67Å; L601-F605 HydrophobicContact CD1-CD2 4.39Å; L601-F605 HydrophobicContact CD1-CE2 3.93Å; L601-F605 HydrophobicContact CG-CE2 4.41Å; L601-F605 WeakPolarHBondContact O-CD2 3.37Å; L601-F605 PolarHBondContact O-N 3.02Å; H602-F605 PolarHBondContact O-N 3.35Å; H602-F605 VanDerWaalsContact O-N 3.13Å; E603-F605 PolarHBondContact O-N 3.15Å; F605-L643 HydrophobicContact CB-CD2 3.52Å; F605-L643 HydrophobicContact CB-CG 4.05Å; F605-L643 HydrophobicContact CG-CD2 4.34Å; F605-C645 HydrophobicContact CD1-CB 3.57Å; F605-C645 HydrophobicContact CE1-CB 3.67Å; F605-C645 HydrophobicContact CG-CB 4.16Å; F605-C645 HydrophobicContact CZ-CB 4.35Å; F605-I649 HydrophobicContact CD2-CG2 4.15Å; F605-I649 HydrophobicContact CE1-CD1 4.15Å; F605-I649 HydrophobicContact CE2-CD1 4.37Å; F605-I649 HydrophobicContact CE2-CG2 3.64Å; F605-I649 HydrophobicContact CZ-CD1 3.65Å; F605-I649 HydrophobicContact CZ-CG2 4.02Å; F605-M653 HydrophobicContact CB-CE 4.46Å; F605-M653 HydrophobicContact CD2-CE 3.61Å; F605-M653 HydrophobicContact CE2-CE 4.28Å; F605-M653 HydrophobicContact CG-CE 4.33Å; F605-M677 HydrophobicContact CE2-CE 4.31Å; F605-M677 HydrophobicContact CZ-CE 3.65Å
606S88.9Confident87.8Confident20 Ų2023.9 Ų23.914%0.1412%0.123CC..Hα-helixtrans-81.3-27.6179.583.90000113.1H602 N608 D612H602-S606 WeakPolarHBondContact O-CB 3.47Å; H602-S606 PolarHBondContact O-N 3.05Å; S606-N608 PolarHBondContact O-N 3.4Å; S606-N608 VanDerWaalsContact O-N 3.11Å; S606-N608 PolarHBondContact O-ND2 3.23Å; S606-N608 PolarHBondContact OG-N 2.85Å; S606-D612 WeakPolarHBondContact CB-OD1 3.5Å; S606-D612 PolarHBondContact OG-OD1 3.4Å
607R87.6Confident86.3Confident54 Ų5432.8 Ų32.820%0.20416%0.164CC..  trans52.921.7-172.2-59.1-169.268.31684114.6V495 L496 N498 I501 E603V495-R607 PolarHBondContact O-NH2 3.12Å; L496-R607 HydrophobicContact CD2-CG 4.32Å; L496-R607 PolarHBondContact O-NE 2.9Å; L496-R607 PolarHBondContact O-NH2 3.45Å; N498-R607 PolarHBondContact O-NH2 2.85Å; I501-R607 PolarHBondContact O-NH1 3.03Å; I501-R607 PolarHBondContact O-NH2 3.28Å; E603-R607 WeakPolarHBondContact O-CA 3.37Å; E603-R607 PolarHBondContact O-N 3.23Å
608N84.7Confident85.3Confident55 Ų5538 Ų3829%0.29419%0.192SC..SBendtrans-117.717.9-175.6-72.6-35.6000114S606 D612 C614S606-N608 PolarHBondContact O-N 3.4Å; S606-N608 VanDerWaalsContact O-N 3.11Å; S606-N608 PolarHBondContact O-ND2 3.23Å; S606-N608 PolarHBondContact OG-N 2.85Å; N608-D612 HydrophobicContact CB-CB 3.99Å; N608-D612 WeakPolarHBondContact CB-OD1 3.34Å; N608-D612 CarbonylContact O-C 3.56Å; N608-D612 WeakPolarHBondContact O-CA 3.5Å; N608-C614 WeakPolarHBondContact O-CB 3.28Å; N608-C614 PolarHBondContact O-N 2.84Å
609G85.3Confident84.3Confident5 Ų542.2 Ų42.25%0.05221%0.208CC..  trans69.2-177.2-177.100000113.2E603 F611 D612E603-G609 VanDerWaalsContact CG-C 3.47Å; G609-F611 PolarHBondContact O-N 3.44Å; G609-D612 PolarHBondContact O-N 3.33Å
610P88.7Confident83.2Confident6 Ų648.3 Ų48.34%0.03924%0.237CC..G310 helixtrans-65.4132.2-172.430.2-38.4000110.5L569 W570 I599 E603 D612 I613L569-P610 HydrophobicContact CB-CB 4.02Å; L569-P610 HydrophobicContact CB-CG 4.22Å; L569-P610 HydrophobicContact CD1-CB 4.23Å; L569-P610 HydrophobicContact CD1-CG 3.74Å; W570-P610 HydrophobicContact CD2-CB 4.49Å; W570-P610 HydrophobicContact CH2-CB 4.31Å; W570-P610 HydrophobicContact CH2-CG 3.56Å; W570-P610 HydrophobicContact CZ2-CB 3.86Å; W570-P610 HydrophobicContact CZ2-CG 3.5Å; W570-P610 VanDerWaalsContact CZ2-CG 3.5Å; W570-P610 HydrophobicContact CZ3-CG 4.19Å; I599-P610 HydrophobicContact CG2-CB 4.04Å; E603-P610 WeakPolarHBondContact OE2-CD 3.45Å; P610-D612 PolarHBondContact O-N 2.84Å; P610-D612 VanDerWaalsContact O-N 3.11Å; P610-I613 WeakPolarHBondContact O-CG1 3.48Å; P610-I613 PolarHBondContact O-N 2.78Å
611F89.6Confident82.3Confident23 Ų2351.8 Ų51.810%0.10126%0.261CS..G310 helixtrans56.321.1-177.2-64.3-102.1000114.1L569 I599 G609 I613 T626 V630 F636 P638L569-F611 HydrophobicContact CB-CD2 4.31Å; L569-F611 HydrophobicContact CB-CE2 4.38Å; L569-F611 HydrophobicContact CD2-CD2 4.3Å; L569-F611 WeakPolarHBondContact O-CE2 3.48Å; I599-F611 HydrophobicContact CD1-CE2 3.97Å; I599-F611 HydrophobicContact CD1-CZ 4.13Å; G609-F611 PolarHBondContact O-N 3.44Å; F611-I613 HydrophobicContact CB-CD1 3.82Å; F611-I613 HydrophobicContact CB-CG1 3.86Å; F611-I613 PolarHBondContact O-N 2.85Å; F611-T626 HydrophobicContact CB-CG2 4.02Å; F611-T626 HydrophobicContact CD1-CG2 3.58Å; F611-T626 HydrophobicContact CD2-CG2 4.12Å; F611-T626 HydrophobicContact CE1-CG2 4Å; F611-T626 HydrophobicContact CG-CG2 3.65Å; F611-T626 HydrophobicContact CZ-CG2 4.46Å; F611-V630 HydrophobicContact CE1-CG2 3.86Å; F611-V630 HydrophobicContact CE2-CG2 4.4Å; F611-V630 HydrophobicContact CZ-CG2 3.54Å; F611-F636 HydrophobicContact CD1-CE1 4.11Å; F611-F636 HydrophobicContact CE1-CD1 4.17Å; F611-F636 AromaticContact CE1-CE1 3.84Å; F611-F636 HydrophobicContact CE1-CE1 3.84Å; F611-P638 HydrophobicContact CD1-CB 4.27Å; F611-P638 HydrophobicContact CD1-CG 3.78Å; F611-P638 HydrophobicContact CD2-CG 4.23Å; F611-P638 HydrophobicContact CE1-CG 3.81Å; F611-P638 HydrophobicContact CE2-CG 4.22Å; F611-P638 HydrophobicContact CG-CG 3.99Å; F611-P638 HydrophobicContact CZ-CG 4.03Å
612D83Confident81.7Confident51 Ų5153.7 Ų53.727%0.27327%0.272SS..G310 helixtrans58.626.7-179.1-53-45.3000114.6H602 S606 N608 G609 P610H602-D612 IonicContact CE1-OD1 3.29Å; H602-D612 PolarHBondContact CE1-OD1 3.3Å; H602-D612 IonicContact CE1-OD2 3.21Å; H602-D612 PolarHBondContact CE1-OD2 2.93Å; H602-D612 IonicContact NE2-OD2 3.63Å; S606-D612 WeakPolarHBondContact CB-OD1 3.5Å; S606-D612 PolarHBondContact OG-OD1 3.4Å; N608-D612 HydrophobicContact CB-CB 3.99Å; N608-D612 WeakPolarHBondContact CB-OD1 3.34Å; N608-D612 CarbonylContact O-C 3.56Å; N608-D612 WeakPolarHBondContact O-CA 3.5Å; G609-D612 PolarHBondContact O-N 3.33Å; P610-D612 PolarHBondContact O-N 2.84Å; P610-D612 VanDerWaalsContact O-N 3.11Å
613I78.5Confident81.2Confident8 Ų853.8 Ų53.84%0.04127%0.273CS..G310 helixtrans-80.8-21.4-173.3-55.3174.5000112.2L569 P610 F611 M615 N616 R619 V622 T626L569-I613 HydrophobicContact CD1-CD1 4.02Å; L569-I613 HydrophobicContact CD2-CD1 4.37Å; P610-I613 WeakPolarHBondContact O-CG1 3.48Å; P610-I613 PolarHBondContact O-N 2.78Å; F611-I613 HydrophobicContact CB-CD1 3.82Å; F611-I613 HydrophobicContact CB-CG1 3.86Å; F611-I613 PolarHBondContact O-N 2.85Å; I613-M615 PolarHBondContact O-N 3.08Å; I613-M615 VanDerWaalsContact O-N 3.08Å; I613-N616 WeakPolarHBondContact O-CB 3.48Å; I613-N616 PolarHBondContact O-N 3.26Å; I613-R619 HydrophobicContact CG2-CG 4.16Å; I613-V622 HydrophobicContact CD1-CG1 4.26Å; I613-V622 HydrophobicContact CG1-CG1 4.09Å; I613-V622 HydrophobicContact CG2-CB 4.06Å; I613-V622 HydrophobicContact CG2-CG1 3.84Å; I613-T626 HydrophobicContact CD1-CG2 4.01Å; I613-T626 WeakPolarHBondContact CD1-OG1 3.28Å
614C68.1Low80.7Confident26 Ų2656 Ų5618%0.17629%0.288CS..G310 helixtrans-63.8-22.2-169.4-72.40000114.9L497 N608L497-C614 HydrophobicContact CD2-CB 4.46Å; N608-C614 WeakPolarHBondContact O-CB 3.28Å; N608-C614 PolarHBondContact O-N 2.84Å
615M65.4Low80.4Confident123 Ų12360.7 Ų60.761%0.60631%0.31SS*.G310 helixtrans-89.50.7178.2-66.8-74.5167.800113.4I613I613-M615 PolarHBondContact O-N 3.08Å; I613-M615 VanDerWaalsContact O-N 3.08Å
616N70.3Confident80.2Confident77 Ų7759.4 Ų59.441%0.41231%0.306SS..  trans-91.7127.1-173.1-153.1-45.7000111.8I613 N618 R619I613-N616 WeakPolarHBondContact O-CB 3.48Å; I613-N616 PolarHBondContact O-N 3.26Å; N616-N618 PolarHBondContact O-N 2.86Å; N616-N618 VanDerWaalsContact O-N 3.1Å; N616-N618 PolarHBondContact OD1-N 2.81Å; N616-R619 PolarHBondContact O-N 2.7Å
617E65Low80.2Confident196 Ų19658.8 Ų58.892%0.91630%0.301SS*.THydrogen-bonded Turntrans-57.5-26.8179.9-66.5-178.7170.300112.7
618N76.9Confident80.2Confident110 Ų11061.8 Ų61.859%0.58832%0.315SS*.THydrogen-bonded Turntrans-105.441.3179.2-80.6-26.8000113.3N616 Q620 S621 V622N616-N618 PolarHBondContact O-N 2.86Å; N616-N618 VanDerWaalsContact O-N 3.1Å; N616-N618 PolarHBondContact OD1-N 2.81Å; N618-Q620 VanDerWaalsContact C-N 3.32Å; N618-Q620 PolarHBondContact O-N 2.88Å; N618-Q620 VanDerWaalsContact O-N 3.12Å; N618-S621 PolarHBondContact O-N 3.47Å; N618-S621 VanDerWaalsContact O-N 3.15Å; N618-S621 PolarHBondContact O-OG 3.2Å; N618-S621 VanDerWaalsContact O-OG 3.07Å; N618-V622 HydrophobicContact CB-CG2 4.41Å; N618-V622 WeakPolarHBondContact O-CG2 3.36Å; N618-V622 PolarHBondContact O-N 3.36Å; N618-V622 VanDerWaalsContact O-N 3.13Å
619R74Confident80.4Confident89 Ų8961 Ų6134%0.33631%0.311SS..Hα-helixtrans-44.2-47.3-173.9-173.6178162.8153.1-5.1115E566 I613 N616 C623E566-R619 VanDerWaalsContact CD-NE 3.33Å; E566-R619 WeakPolarHBondContact OE1-CD 3.38Å; E566-R619 VanDerWaalsContact OE1-CG 3.31Å; E566-R619 WeakPolarHBondContact OE1-CG 3.41Å; E566-R619 IonicContact OE1-CZ 2.82Å; E566-R619 IonicContact OE1-NE 3.37Å; E566-R619 PolarHBondContact OE1-NE 2.95Å; E566-R619 IonicContact OE1-NH2 3.72Å; E566-R619 IonicContact OE2-CZ 2.74Å; E566-R619 IonicContact OE2-NE 2.6Å; E566-R619 PolarHBondContact OE2-NE 3.17Å; E566-R619 IonicContact OE2-NH2 3.52Å; E566-R619 PolarHBondContact OE2-NH2 3Å; I613-R619 HydrophobicContact CG2-CG 4.16Å; N616-R619 PolarHBondContact O-N 2.7Å; R619-C623 VanDerWaalsContact O-CB 3.25Å; R619-C623 WeakPolarHBondContact O-CB 3.48Å; R619-C623 PolarHBondContact O-N 3.48Å
620Q74.7Confident80.6Confident129 Ų12960.9 Ų60.960%0.60331%0.309SS*.Hα-helixtrans-65-42.5-176.5-142.193.27.500113.5N618 S624N618-Q620 VanDerWaalsContact C-N 3.32Å; N618-Q620 PolarHBondContact O-N 2.88Å; N618-Q620 VanDerWaalsContact O-N 3.12Å; Q620-S624 PolarHBondContact O-N 3.39Å; Q620-S624 PolarHBondContact O-OG 2.93Å
621S78.1Confident80.6Confident72 Ų7261.2 Ų61.250%0.50331%0.311SS..Hα-helixtrans-75.3-40.7-177.465.60000110.8N618 C623 S624 E625N618-S621 PolarHBondContact O-N 3.47Å; N618-S621 VanDerWaalsContact O-N 3.15Å; N618-S621 PolarHBondContact O-OG 3.2Å; N618-S621 VanDerWaalsContact O-OG 3.07Å; S621-C623 VanDerWaalsContact C-N 3.33Å; S621-C623 PolarHBondContact O-N 2.93Å; S621-S624 PolarHBondContact O-N 3.13Å; S621-E625 PolarHBondContact O-N 2.97Å
622V83Confident80.5Confident40 Ų4067.8 Ų67.824%0.24234%0.336CS..Hα-helixtrans-62.8-41.2174.4179.20000110.7I613 N618 S624 E625 T626I613-V622 HydrophobicContact CD1-CG1 4.26Å; I613-V622 HydrophobicContact CG1-CG1 4.09Å; I613-V622 HydrophobicContact CG2-CB 4.06Å; I613-V622 HydrophobicContact CG2-CG1 3.84Å; N618-V622 HydrophobicContact CB-CG2 4.41Å; N618-V622 WeakPolarHBondContact O-CG2 3.36Å; N618-V622 PolarHBondContact O-N 3.36Å; N618-V622 VanDerWaalsContact O-N 3.13Å; V622-S624 PolarHBondContact O-N 3.3Å; V622-E625 PolarHBondContact O-N 2.76Å; V622-T626 VanDerWaalsContact O-CB 3.29Å; V622-T626 WeakPolarHBondContact O-CB 3.09Å; V622-T626 PolarHBondContact O-N 3.03Å; V622-T626 PolarHBondContact O-OG1 3.21Å
623C84.9Confident80.7Confident2 Ų268.2 Ų68.21%0.01434%0.34CS..Hα-helixtrans-57.9-47.3174.1177.10000111.8E566 R619 S621 E625 T626 L627E566-C623 VanDerWaalsContact CA-SG 3.53Å; E566-C623 HydrophobicContact CG-CB 4.19Å; R619-C623 VanDerWaalsContact O-CB 3.25Å; R619-C623 WeakPolarHBondContact O-CB 3.48Å; R619-C623 PolarHBondContact O-N 3.48Å; S621-C623 VanDerWaalsContact C-N 3.33Å; S621-C623 PolarHBondContact O-N 2.93Å; C623-E625 VanDerWaalsContact C-N 3.35Å; C623-E625 PolarHBondContact O-N 2.82Å; C623-T626 PolarHBondContact O-N 3.08Å; C623-L627 PolarHBondContact O-N 3.37Å
624S83.6Confident80.9Confident47 Ų4771.4 Ų71.433%0.32936%0.362SS..Hα-helixtrans-65.1-39.8-177.8-60.80000112Q620 S621 V622 K628Q620-S624 PolarHBondContact O-N 3.39Å; Q620-S624 PolarHBondContact O-OG 2.93Å; S621-S624 PolarHBondContact O-N 3.13Å; V622-S624 PolarHBondContact O-N 3.3Å; S624-K628 PolarHBondContact O-N 2.78Å; S624-K628 VanDerWaalsContact O-N 3.16Å
625E86.3Confident81.8Confident100 Ų10077.4 Ų77.447%0.46739%0.385SS..Hα-helixtrans-68.5-43176.1-172.258.4-157.500111.9S621 V622 C623 L627 K628 N629S621-E625 PolarHBondContact O-N 2.97Å; V622-E625 PolarHBondContact O-N 2.76Å; C623-E625 VanDerWaalsContact C-N 3.35Å; C623-E625 PolarHBondContact O-N 2.82Å; E625-L627 VanDerWaalsContact C-N 3.31Å; E625-L627 PolarHBondContact O-N 3.06Å; E625-K628 WeakPolarHBondContact O-CB 3.42Å; E625-K628 PolarHBondContact O-N 2.86Å; E625-N629 PolarHBondContact O-N 2.81Å; E625-N629 PolarHBondContact O-ND2 2.81Å
626T88.9Confident83Confident14 Ų1474.4 Ų74.49%0.08637%0.369CS..Hα-helixtrans-58.8-44.8175.8-57.40000110.6L569 F611 I613 V622 C623 K628 N629 V630 F636L569-T626 HydrophobicContact CD2-CG2 3.98Å; F611-T626 HydrophobicContact CB-CG2 4.02Å; F611-T626 HydrophobicContact CD1-CG2 3.58Å; F611-T626 HydrophobicContact CD2-CG2 4.12Å; F611-T626 HydrophobicContact CE1-CG2 4Å; F611-T626 HydrophobicContact CG-CG2 3.65Å; F611-T626 HydrophobicContact CZ-CG2 4.46Å; I613-T626 HydrophobicContact CD1-CG2 4.01Å; I613-T626 WeakPolarHBondContact CD1-OG1 3.28Å; V622-T626 VanDerWaalsContact O-CB 3.29Å; V622-T626 WeakPolarHBondContact O-CB 3.09Å; V622-T626 PolarHBondContact O-N 3.03Å; V622-T626 PolarHBondContact O-OG1 3.21Å; C623-T626 PolarHBondContact O-N 3.08Å; T626-K628 PolarHBondContact O-N 3.48Å; T626-N629 PolarHBondContact O-N 3.15Å; T626-N629 VanDerWaalsContact O-N 3.15Å; T626-V630 WeakPolarHBondContact O-CG2 3.43Å; T626-V630 PolarHBondContact O-N 3.33Å; T626-F636 HydrophobicContact CG2-CE1 3.8Å; T626-F636 HydrophobicContact CG2-CZ 4.34Å
627L87.5Confident84.1Confident7 Ų772.6 Ų72.64%0.03736%0.356CS..Hα-helixtrans-61.2-43.7177.1-113.2126.9000112.7N565 L568 L569 L576 F582 C623 E625 N629 V630 I631N565-L627 HydrophobicContact CB-CD1 4.16Å; N565-L627 WeakPolarHBondContact O-CD1 3.37Å; L568-L627 HydrophobicContact CB-CD1 4.04Å; L568-L627 HydrophobicContact CB-CD2 3.8Å; L568-L627 HydrophobicContact CB-CG 4.39Å; L568-L627 HydrophobicContact CD1-CD2 4.13Å; L569-L627 HydrophobicContact CD2-CD1 3.8Å; L569-L627 HydrophobicContact CD2-CG 4.29Å; L569-L627 HydrophobicContact CG-CD1 4.22Å; L576-L627 HydrophobicContact CD1-CD2 4.39Å; L576-L627 HydrophobicContact CD2-CD2 4.26Å; F582-L627 HydrophobicContact CE1-CD2 4.31Å; F582-L627 HydrophobicContact CZ-CD2 3.88Å; C623-L627 PolarHBondContact O-N 3.37Å; E625-L627 VanDerWaalsContact C-N 3.31Å; E625-L627 PolarHBondContact O-N 3.06Å; L627-N629 VanDerWaalsContact C-N 3.28Å; L627-N629 PolarHBondContact O-N 3.03Å; L627-V630 PolarHBondContact O-N 2.98Å; L627-I631 HydrophobicContact CD2-CD1 4.37Å; L627-I631 VanDerWaalsContact O-CG1 3.25Å; L627-I631 WeakPolarHBondContact O-CG1 3.37Å; L627-I631 PolarHBondContact O-N 3.42Å
628K87.1Confident85.3Confident117 Ų11763.6 Ų63.651%0.50932%0.315SS..Hα-helixtrans-58.7-43.4173.5-75.4178.1-177.9174.10111.1S624 E625 T626 I631 Y632S624-K628 PolarHBondContact O-N 2.78Å; S624-K628 VanDerWaalsContact O-N 3.16Å; E625-K628 WeakPolarHBondContact O-CB 3.42Å; E625-K628 PolarHBondContact O-N 2.86Å; T626-K628 PolarHBondContact O-N 3.48Å; K628-I631 PolarHBondContact O-N 3.03Å; K628-Y632 HydrophobicContact CB-CD2 4.26Å; K628-Y632 WeakPolarHBondContact O-CB 3.49Å; K628-Y632 WeakPolarHBondContact O-CD2 3.42Å; K628-Y632 PolarHBondContact O-N 3.21Å
629N90.7Very high85.9Confident39 Ų3961 Ų6121%0.20931%0.305CS..Hα-helixtrans-65.3-41.7179.1-70.7-33.4000112.1E625 T626 L627 I631 Y632 V633 F636E625-N629 PolarHBondContact O-N 2.81Å; E625-N629 PolarHBondContact O-ND2 2.81Å; T626-N629 PolarHBondContact O-N 3.15Å; T626-N629 VanDerWaalsContact O-N 3.15Å; L627-N629 VanDerWaalsContact C-N 3.28Å; L627-N629 PolarHBondContact O-N 3.03Å; N629-I631 VanDerWaalsContact C-N 3.26Å; N629-I631 PolarHBondContact O-N 2.85Å; N629-Y632 PolarHBondContact O-N 2.83Å; N629-V633 HydrophobicContact CB-CG2 4.29Å; N629-V633 WeakPolarHBondContact O-CA 3.39Å; N629-V633 VanDerWaalsContact O-CB 3.26Å; N629-V633 WeakPolarHBondContact O-CB 3.43Å; N629-V633 PolarHBondContact O-N 2.95Å; N629-F636 HydrophobicContact CB-CB 4.48Å; N629-F636 HydrophobicContact CB-CD1 3.59Å; N629-F636 HydrophobicContact CB-CD2 3.8Å; N629-F636 HydrophobicContact CB-CE1 3.62Å; N629-F636 HydrophobicContact CB-CE2 3.82Å; N629-F636 HydrophobicContact CB-CG 3.68Å; N629-F636 HydrophobicContact CB-CZ 3.73Å
630V89.4Confident86.7Confident2 Ų259.2 Ų59.21%0.01230%0.302CS..Hα-helixtrans-59-39173.7175.40000111.5P573 L576 F611 T626 L627 F636P573-V630 HydrophobicContact CB-CG1 4.33Å; P573-V630 HydrophobicContact CG-CG1 4.03Å; L576-V630 HydrophobicContact CD1-CG1 3.82Å; F611-V630 HydrophobicContact CE1-CG2 3.86Å; F611-V630 HydrophobicContact CE2-CG2 4.4Å; F611-V630 HydrophobicContact CZ-CG2 3.54Å; T626-V630 WeakPolarHBondContact O-CG2 3.43Å; T626-V630 PolarHBondContact O-N 3.33Å; L627-V630 PolarHBondContact O-N 2.98Å; V630-F636 HydrophobicContact CB-CD1 4.5Å; V630-F636 HydrophobicContact CG2-CD1 3.71Å; V630-F636 HydrophobicContact CG2-CE1 4.05Å
631I87.8Confident87Confident13 Ų1361 Ų617%0.06731%0.31CS..Hα-helixtrans-72.5-50.5-179.8-66167.3000111.3L576 R577 F582 L627 K628 N629L576-I631 HydrophobicContact CB-CD1 4.26Å; L576-I631 HydrophobicContact CB-CG1 3.75Å; L576-I631 HydrophobicContact CD1-CG1 4.18Å; R577-I631 HydrophobicContact CG-CG2 4.04Å; R577-I631 PolarHBondContact NE-O 3.36Å; R577-I631 PolarHBondContact NH2-O 2.86Å; F582-I631 HydrophobicContact CE1-CD1 4.46Å; F582-I631 HydrophobicContact CZ-CD1 4.22Å; L627-I631 HydrophobicContact CD2-CD1 4.37Å; L627-I631 VanDerWaalsContact O-CG1 3.25Å; L627-I631 WeakPolarHBondContact O-CG1 3.37Å; L627-I631 PolarHBondContact O-N 3.42Å; K628-I631 PolarHBondContact O-N 3.03Å; N629-I631 VanDerWaalsContact C-N 3.26Å; N629-I631 PolarHBondContact O-N 2.85Å
632Y87.3Confident87.1Confident162 Ų16265.4 Ų65.464%0.63532%0.322SS*.Hα-helixtrans-103.6-21.1-164.6-61.4-66.2000114.8K628 N629 P634K628-Y632 HydrophobicContact CB-CD2 4.26Å; K628-Y632 WeakPolarHBondContact O-CB 3.49Å; K628-Y632 WeakPolarHBondContact O-CD2 3.42Å; K628-Y632 PolarHBondContact O-N 3.21Å; N629-Y632 PolarHBondContact O-N 2.83Å; Y632-P634 WeakPolarHBondContact O-CD 2.9Å
633V87.8Confident87.2Confident60 Ų6064.4 Ų64.436%0.36432%0.316SS..SBendtrans-100.9108.8-179.7-176.70000109.1N629 F635 F636N629-V633 HydrophobicContact CB-CG2 4.29Å; N629-V633 WeakPolarHBondContact O-CA 3.39Å; N629-V633 VanDerWaalsContact O-CB 3.26Å; N629-V633 WeakPolarHBondContact O-CB 3.43Å; N629-V633 PolarHBondContact O-N 2.95Å; V633-F635 PolarHBondContact O-N 2.98Å; V633-F636 HydrophobicContact CB-CB 3.95Å; V633-F636 HydrophobicContact CG1-CB 4.08Å; V633-F636 WeakPolarHBondContact O-CB 2.9Å; V633-F636 PolarHBondContact O-N 3.14Å
634P81.6Confident87.2Confident75 Ų7573.4 Ų73.449%0.48736%0.358SS..THydrogen-bonded Turntrans-55.9140.7176.7-22.933.7000110.5Y632 F636Y632-P634 WeakPolarHBondContact O-CD 2.9Å; P634-F636 PolarHBondContact O-N 3.42Å
635F86.9Confident87.5Confident151 Ų15172.7 Ų72.766%0.66235%0.352SS*.THydrogen-bonded Turntrans65.77.9179-38.9-74000116.2V633 R637 E659V633-F635 PolarHBondContact O-N 2.98Å; F635-R637 WeakPolarHBondContact O-CG 3.19Å; F635-R637 PolarHBondContact O-N 3.48Å; F635-E659 HydrophobicContact CD1-CB 3.98Å; F635-E659 HydrophobicContact CE1-CB 3.77Å; F635-E659 HydrophobicContact CE1-CG 4.27Å; F635-E659 PolarHBondContact N-OE2 3.34Å
636F91.9Very high87.7Confident61 Ų6173.9 Ų73.927%0.26836%0.358SS..  trans-67.7116.5174.1-176.7-93.9000111.1F611 T626 N629 V630 V633 P634F611-F636 HydrophobicContact CD1-CE1 4.11Å; F611-F636 HydrophobicContact CE1-CD1 4.17Å; F611-F636 AromaticContact CE1-CE1 3.84Å; F611-F636 HydrophobicContact CE1-CE1 3.84Å; T626-F636 HydrophobicContact CG2-CE1 3.8Å; T626-F636 HydrophobicContact CG2-CZ 4.34Å; N629-F636 HydrophobicContact CB-CB 4.48Å; N629-F636 HydrophobicContact CB-CD1 3.59Å; N629-F636 HydrophobicContact CB-CD2 3.8Å; N629-F636 HydrophobicContact CB-CE1 3.62Å; N629-F636 HydrophobicContact CB-CE2 3.82Å; N629-F636 HydrophobicContact CB-CG 3.68Å; N629-F636 HydrophobicContact CB-CZ 3.73Å; V630-F636 HydrophobicContact CB-CD1 4.5Å; V630-F636 HydrophobicContact CG2-CD1 3.71Å; V630-F636 HydrophobicContact CG2-CE1 4.05Å; V633-F636 HydrophobicContact CB-CB 3.95Å; V633-F636 HydrophobicContact CG1-CB 4.08Å; V633-F636 WeakPolarHBondContact O-CB 2.9Å; V633-F636 PolarHBondContact O-N 3.14Å; P634-F636 PolarHBondContact O-N 3.42Å
637R92.5Very high87.9Confident39 Ų3980.7 Ų80.715%0.14739%0.386CS..  trans-141164.9-173.5-61.2-58.6177.7-89.6-4.1110.9F635 W657 E659F635-R637 WeakPolarHBondContact O-CG 3.19Å; F635-R637 PolarHBondContact O-N 3.48Å; R637-W657 HydrophobicContact CB-CD2 4.38Å; R637-W657 HydrophobicContact CB-CE3 3.93Å; R637-W657 HydrophobicContact CB-CZ3 4.36Å; R637-W657 HydrophobicContact CG-CB 4.03Å; R637-W657 HydrophobicContact CG-CD2 4.41Å; R637-W657 HydrophobicContact CG-CE3 4.23Å; R637-W657 HydrophobicContact CG-CG 4.36Å; R637-W657 VanDerWaalsContact CZ-O 3.25Å; R637-W657 PolarHBondContact NE-O 3.45Å; R637-W657 PolarHBondContact NH2-O 3.45Å; R637-E659 IonicContact CZ-OE2 2.73Å; R637-E659 IonicContact NH1-OE2 3.72Å; R637-E659 PolarHBondContact NH1-OE2 3.4Å; R637-E659 IonicContact NH2-OE2 3.44Å; R637-E659 PolarHBondContact NH2-OE2 3.38Å
638P91.4Very high88.2Confident7 Ų782.4 Ų82.45%0.04539%0.392CS..  trans-55.5148.4174.2-24.534.2000112.8I599 F611 W657I599-P638 HydrophobicContact CD1-CG 3.57Å; F611-P638 HydrophobicContact CD1-CB 4.27Å; F611-P638 HydrophobicContact CD1-CG 3.78Å; F611-P638 HydrophobicContact CD2-CG 4.23Å; F611-P638 HydrophobicContact CE1-CG 3.81Å; F611-P638 HydrophobicContact CE2-CG 4.22Å; F611-P638 HydrophobicContact CG-CG 3.99Å; F611-P638 HydrophobicContact CZ-CG 4.03Å; P638-W657 HydrophobicContact CB-CH2 3.92Å; P638-W657 HydrophobicContact CB-CZ2 4.37Å; P638-W657 HydrophobicContact CG-CH2 3.86Å; P638-W657 HydrophobicContact CG-CZ2 3.83Å
639S89.3Confident88.6Confident54 Ų5477.2 Ų77.238%0.37837%0.37SS..  trans-69.5140.5179.3-175.90000111.3H602 E641H602-S639 PolarHBondContact NE2-O 2.92Å; S639-E641 PolarHBondContact OG-N 3.43Å
640L89.8Confident88.8Confident52 Ų5277.4 Ų77.427%0.27237%0.371SS..  trans-108-2.7176.8-63.8169.5000112.5H642 L643 I650 M653 W657L640-H642 VanDerWaalsContact C-N 3.27Å; L640-H642 PolarHBondContact O-N 3.25Å; L640-L643 PolarHBondContact O-N 3.11Å; L640-I650 HydrophobicContact CD1-CG2 3.91Å; L640-M653 HydrophobicContact CD2-SD 4.03Å; L640-W657 HydrophobicContact CD1-CZ3 4.35Å; L640-W657 HydrophobicContact CD2-CH2 4.24Å; L640-W657 HydrophobicContact CD2-CZ3 3.98Å; L640-W657 HydrophobicContact CG-CZ3 4.29Å
641E81.4Confident89.1Confident167 Ų16781 Ų8178%0.7839%0.39SS*.THydrogen-bonded Turntrans-65.2-26.3-170.2-71.3-177.3157.800114.1S639S639-E641 PolarHBondContact OG-N 3.43Å
642H79.6Confident89.5Confident164 Ų16480.5 Ų80.576%0.75939%0.387SS*.THydrogen-bonded Turntrans-113.29.1-175.5-56.596.1000113.6L640 E644L640-H642 VanDerWaalsContact C-N 3.27Å; L640-H642 PolarHBondContact O-N 3.25Å; H642-E644 PolarHBondContact O-N 3.13Å
643L85.7Confident89.9Confident20 Ų2072.8 Ų72.811%0.10536%0.357CS..  trans-81.7116.1-179-109.988.3000111.6H602 F605 L640 C645 M653H602-L643 VanDerWaalsContact CD2-CD1 3.45Å; H602-L643 WeakPolarHBondContact CD2-CD1 3.31Å; H602-L643 WeakPolarHBondContact NE2-CD1 3.36Å; F605-L643 HydrophobicContact CB-CD2 3.52Å; F605-L643 HydrophobicContact CB-CG 4.05Å; F605-L643 HydrophobicContact CG-CD2 4.34Å; L640-L643 PolarHBondContact O-N 3.11Å; L643-C645 PolarHBondContact O-N 3.05Å; L643-C645 VanDerWaalsContact O-N 3.13Å; L643-M653 HydrophobicContact CD2-CE 3.69Å; L643-M653 HydrophobicContact CD2-SD 3.97Å
644E85.1Confident90.2Very high191 Ų19173.4 Ų73.489%0.89336%0.361SS*.  trans-82.481.7171.6-66.7-171.417000111H642H642-E644 PolarHBondContact O-N 3.13Å
645C89.1Confident90.9Very high32 Ų3270.9 Ų70.922%0.21635%0.346CS..SBendtrans-148.6165.6175.467.80000113.6F605 L643 I649 I650F605-C645 HydrophobicContact CD1-CB 3.57Å; F605-C645 HydrophobicContact CE1-CB 3.67Å; F605-C645 HydrophobicContact CG-CB 4.16Å; F605-C645 HydrophobicContact CZ-CB 4.35Å; L643-C645 PolarHBondContact O-N 3.05Å; L643-C645 VanDerWaalsContact O-N 3.13Å; C645-I649 HydrophobicContact CB-CD1 4.13Å; C645-I649 HydrophobicContact CB-CG2 4.45Å; C645-I650 VanDerWaalsContact SG-CG1 3.53Å
646E91Very high91.4Very high124 Ų12463.7 Ų63.758%0.57932%0.315SS*.  trans-69.8147.5-179.7-69.7-169.7-143.900112.6Y648 I649 I650E646-Y648 VanDerWaalsContact C-N 3.28Å; E646-Y648 HydrophobicContact CB-CD1 3.66Å; E646-Y648 HydrophobicContact CB-CE1 3.45Å; E646-Y648 VanDerWaalsContact CB-CE1 3.45Å; E646-Y648 HydrophobicContact CG-CE1 4.12Å; E646-Y648 PolarHBondContact O-N 3.2Å; E646-Y648 VanDerWaalsContact O-N 3.11Å; E646-Y648 WeakPolarHBondContact OE2-CE1 3.34Å; E646-I649 HydrophobicContact CB-CD1 4.2Å; E646-I649 VanDerWaalsContact O-CB 3.28Å; E646-I649 WeakPolarHBondContact O-CB 3.41Å; E646-I649 PolarHBondContact O-N 3.09Å; E646-I650 PolarHBondContact O-N 3.29Å
647K92.9Very high91.6Very high158 Ų15861.1 Ų61.169%0.68730%0.304SS*.Hα-helixtrans-53.3-38.4-174.7-177.5171.8179.3168.40114.5I649 I650 D651K647-I649 PolarHBondContact O-N 3.47Å; K647-I650 PolarHBondContact O-N 2.99Å; K647-D651 VanDerWaalsContact O-CG 3.29Å; K647-D651 PolarHBondContact O-N 3.13Å
648Y94.2Very high91.7Very high43 Ų4361.9 Ų61.917%0.16931%0.31CS..Hα-helixtrans-65-25.6-179.976.3-89.1000112.9E646 T652 R673 L674 P676 M677E646-Y648 VanDerWaalsContact C-N 3.28Å; E646-Y648 HydrophobicContact CB-CD1 3.66Å; E646-Y648 HydrophobicContact CB-CE1 3.45Å; E646-Y648 VanDerWaalsContact CB-CE1 3.45Å; E646-Y648 HydrophobicContact CG-CE1 4.12Å; E646-Y648 PolarHBondContact O-N 3.2Å; E646-Y648 VanDerWaalsContact O-N 3.11Å; E646-Y648 WeakPolarHBondContact OE2-CE1 3.34Å; Y648-T652 WeakPolarHBondContact O-CB 3.46Å; Y648-T652 PolarHBondContact O-N 3.33Å; Y648-T652 VanDerWaalsContact O-N 3.13Å; Y648-T652 PolarHBondContact O-OG1 2.87Å; Y648-R673 WeakPolarHBondContact CD2-O 3.17Å; Y648-L674 HydrophobicContact CD2-CD2 4.02Å; Y648-L674 HydrophobicContact CE2-CD2 3.83Å; Y648-P676 HydrophobicContact CD1-CB 4.46Å; Y648-P676 HydrophobicContact CD1-CG 4.5Å; Y648-P676 HydrophobicContact CD2-CG 4.31Å; Y648-P676 HydrophobicContact CE1-CB 4Å; Y648-P676 HydrophobicContact CE1-CG 4.47Å; Y648-P676 HydrophobicContact CE2-CB 4.25Å; Y648-P676 HydrophobicContact CE2-CG 4.3Å; Y648-P676 HydrophobicContact CG-CG 4.42Å; Y648-M677 HydrophobicContact CE2-CB 4.29Å; Y648-M677 VanDerWaalsContact OH-CA 3.24Å; Y648-M677 WeakPolarHBondContact OH-CA 3.41Å; Y648-M677 WeakPolarHBondContact OH-CB 3.49Å; Y648-M677 PolarHBondContact OH-N 2.92Å
649I95Very high91.7Very high7 Ų763 Ų634%0.03632%0.315CS..Hα-helixtrans-72.4-48.3175.9-61.2167.1000108.6L601 F605 C645 E646 K647 T652 M653 L674L601-I649 HydrophobicContact CD2-CG2 4.31Å; F605-I649 HydrophobicContact CD2-CG2 4.15Å; F605-I649 HydrophobicContact CE1-CD1 4.15Å; F605-I649 HydrophobicContact CE2-CD1 4.37Å; F605-I649 HydrophobicContact CE2-CG2 3.64Å; F605-I649 HydrophobicContact CZ-CD1 3.65Å; F605-I649 HydrophobicContact CZ-CG2 4.02Å; C645-I649 HydrophobicContact CB-CD1 4.13Å; C645-I649 HydrophobicContact CB-CG2 4.45Å; E646-I649 HydrophobicContact CB-CD1 4.2Å; E646-I649 VanDerWaalsContact O-CB 3.28Å; E646-I649 WeakPolarHBondContact O-CB 3.41Å; E646-I649 PolarHBondContact O-N 3.09Å; K647-I649 PolarHBondContact O-N 3.47Å; I649-T652 WeakPolarHBondContact O-CB 3.34Å; I649-T652 PolarHBondContact O-N 3.33Å; I649-T652 VanDerWaalsContact O-N 3.12Å; I649-M653 HydrophobicContact CG2-CE 3.67Å; I649-M653 WeakPolarHBondContact O-CG 3.27Å; I649-M653 PolarHBondContact O-N 3.11Å; I649-L674 HydrophobicContact CG1-CD2 4.17Å
650I94.7Very high91.9Very high44 Ų4468 Ų6823%0.22633%0.325CS..Hα-helixtrans-56.5-53175.2-58.9179.6000110.2L640 C645 E646 K647 T652 M653 T654L640-I650 HydrophobicContact CD1-CG2 3.91Å; C645-I650 VanDerWaalsContact SG-CG1 3.53Å; E646-I650 PolarHBondContact O-N 3.29Å; K647-I650 PolarHBondContact O-N 2.99Å; I650-T652 PolarHBondContact O-N 3.32Å; I650-T652 VanDerWaalsContact O-N 3.15Å; I650-M653 WeakPolarHBondContact O-CB 2.96Å; I650-M653 PolarHBondContact O-N 2.96Å; I650-T654 PolarHBondContact O-N 3.44Å; I650-T654 PolarHBondContact O-OG1 3.02Å
651D95.2Very high92.1Very high77 Ų7767.3 Ų67.341%0.41232%0.324SS..Hα-helixtrans-58.7-30.5179.5-68-19.2000112.1K647 A655K647-D651 VanDerWaalsContact O-CG 3.29Å; K647-D651 PolarHBondContact O-N 3.13Å; D651-A655 WeakPolarHBondContact O-CB 3.32Å; D651-A655 PolarHBondContact O-N 3.45Å; D651-A655 VanDerWaalsContact O-N 3.16Å
652T96.3Very high92.7Very high2 Ų265.4 Ų65.41%0.01232%0.32CS..Hα-helixtrans-73.7-46.8174.9-57.80000111.4Y648 I649 I650 T654 A655 T656 I670 R673 L674Y648-T652 WeakPolarHBondContact O-CB 3.46Å; Y648-T652 PolarHBondContact O-N 3.33Å; Y648-T652 VanDerWaalsContact O-N 3.13Å; Y648-T652 PolarHBondContact O-OG1 2.87Å; I649-T652 WeakPolarHBondContact O-CB 3.34Å; I649-T652 PolarHBondContact O-N 3.33Å; I649-T652 VanDerWaalsContact O-N 3.12Å; I650-T652 PolarHBondContact O-N 3.32Å; I650-T652 VanDerWaalsContact O-N 3.15Å; T652-T654 VanDerWaalsContact C-N 3.31Å; T652-T654 PolarHBondContact O-N 3.04Å; T652-A655 PolarHBondContact O-N 3.27Å; T652-T656 WeakPolarHBondContact O-CG2 3.48Å; T652-T656 PolarHBondContact O-N 3Å; T652-T656 PolarHBondContact O-OG1 3.47Å; T652-I670 HydrophobicContact CG2-CG2 3.92Å; T652-R673 HydrophobicContact CG2-CB 4.37Å; T652-R673 WeakPolarHBondContact OG1-CB 3.33Å; T652-L674 HydrophobicContact CG2-CD1 4.23Å; T652-L674 HydrophobicContact CG2-CD2 4.1Å; T652-L674 HydrophobicContact CG2-CG 3.99Å
653M95.7Very high93.4Very high0 Ų065.9 Ų65.90%032%0.315CS..Hα-helixtrans-55.7-47.7174.3-67.6172.5-177.300110.7L601 H602 F605 L640 L643 I649 I650 A655 T656 W657L601-M653 HydrophobicContact CB-CE 4.26Å; L601-M653 HydrophobicContact CB-CG 4.36Å; L601-M653 HydrophobicContact CD2-CE 4.14Å; L601-M653 HydrophobicContact CD2-CG 3.71Å; L601-M653 HydrophobicContact CG-CE 3.65Å; L601-M653 HydrophobicContact CG-CG 4.1Å; L601-M653 WeakPolarHBondContact O-CE 3.09Å; H602-M653 HydrophobicContact CB-SD 4.37Å; F605-M653 HydrophobicContact CB-CE 4.46Å; F605-M653 HydrophobicContact CD2-CE 3.61Å; F605-M653 HydrophobicContact CE2-CE 4.28Å; F605-M653 HydrophobicContact CG-CE 4.33Å; L640-M653 HydrophobicContact CD2-SD 4.03Å; L643-M653 HydrophobicContact CD2-CE 3.69Å; L643-M653 HydrophobicContact CD2-SD 3.97Å; I649-M653 HydrophobicContact CG2-CE 3.67Å; I649-M653 WeakPolarHBondContact O-CG 3.27Å; I649-M653 PolarHBondContact O-N 3.11Å; I650-M653 WeakPolarHBondContact O-CB 2.96Å; I650-M653 PolarHBondContact O-N 2.96Å; M653-A655 VanDerWaalsContact C-N 3.33Å; M653-A655 PolarHBondContact O-N 2.83Å; M653-T656 WeakPolarHBondContact CA-OG1 2.97Å; M653-T656 PolarHBondContact O-N 3.47Å; M653-T656 PolarHBondContact O-OG1 3.42Å; M653-W657 HydrophobicContact CB-CE3 4.47Å; M653-W657 HydrophobicContact CB-CH2 4.24Å; M653-W657 HydrophobicContact CB-CZ3 4.23Å; M653-W657 PolarHBondContact O-N 3.01Å; M653-W657 VanDerWaalsContact O-N 3.16Å
654T95.2Very high94Very high73 Ų7365 Ų6545%0.44831%0.31SS..Hα-helixtrans-63.1-40.6-178.9-28.20000111.6I650 T652 T656 W657I650-T654 PolarHBondContact O-N 3.44Å; I650-T654 PolarHBondContact O-OG1 3.02Å; T652-T654 VanDerWaalsContact C-N 3.31Å; T652-T654 PolarHBondContact O-N 3.04Å; T654-T656 PolarHBondContact O-N 2.92Å; T654-W657 PolarHBondContact O-N 3.41Å; T654-W657 VanDerWaalsContact O-N 3.17Å
655A96.3Very high94.5Very high22 Ų2256.1 Ų56.118%0.18227%0.269CS..Hα-helixtrans-66.1-36177.200000112.9D651 T652 M653 W657 P665D651-A655 WeakPolarHBondContact O-CB 3.32Å; D651-A655 PolarHBondContact O-N 3.45Å; D651-A655 VanDerWaalsContact O-N 3.16Å; T652-A655 PolarHBondContact O-N 3.27Å; M653-A655 VanDerWaalsContact C-N 3.33Å; M653-A655 PolarHBondContact O-N 2.83Å; A655-W657 PolarHBondContact O-N 3.23Å; A655-P665 HydrophobicContact CB-CG 4.27Å; A655-P665 VanDerWaalsContact O-CD 3.24Å; A655-P665 WeakPolarHBondContact O-CD 3.37Å
656T96.8Very high94.9Very high0 Ų057.5 Ų57.50%027%0.274CS..Hα-helixtrans-69-20.8174.452.60000113.2S594 Y595 F597 G598 T652 M653 T654 R664 P665 I670S594-T656 WeakPolarHBondContact O-CB 3.41Å; Y595-T656 WeakPolarHBondContact CA-O 3.49Å; F597-T656 HydrophobicContact CD1-CG2 4.33Å; G598-T656 VanDerWaalsContact CA-OG1 3.28Å; G598-T656 WeakPolarHBondContact CA-OG1 2.95Å; T652-T656 WeakPolarHBondContact O-CG2 3.48Å; T652-T656 PolarHBondContact O-N 3Å; T652-T656 PolarHBondContact O-OG1 3.47Å; M653-T656 WeakPolarHBondContact CA-OG1 2.97Å; M653-T656 PolarHBondContact O-N 3.47Å; M653-T656 PolarHBondContact O-OG1 3.42Å; T654-T656 PolarHBondContact O-N 2.92Å; T656-R664 VanDerWaalsContact O-CD 3.27Å; T656-R664 WeakPolarHBondContact O-CD 2.97Å; T656-P665 HydrophobicContact CG2-CG 4.02Å; T656-I670 HydrophobicContact CG2-CD1 3.62Å; T656-I670 HydrophobicContact CG2-CG1 3.95Å
657W96Very high95.1Very high8 Ų851.9 Ų51.93%0.0325%0.248CC..THydrogen-bonded Turntrans-95.110.7-178.9-71.9-20.3000114.6Y595 G598 I599 H602 R637 P638 L640 M653 T654 A655 E659Y595-W657 AromaticContact CD2-CD1 3.76Å; Y595-W657 AromaticContact CE2-CD1 3.81Å; Y595-W657 HydrophobicContact CE2-CG 4.39Å; G598-W657 VanDerWaalsContact C-NE1 3.25Å; G598-W657 VanDerWaalsContact O-CZ2 3.24Å; G598-W657 WeakPolarHBondContact O-CZ2 3.19Å; I599-W657 HydrophobicContact CD1-CZ2 3.93Å; H602-W657 HydrophobicContact CB-CH2 3.79Å; H602-W657 HydrophobicContact CB-CZ2 3.76Å; R637-W657 HydrophobicContact CB-CD2 4.38Å; R637-W657 HydrophobicContact CB-CE3 3.93Å; R637-W657 HydrophobicContact CB-CZ3 4.36Å; R637-W657 HydrophobicContact CG-CB 4.03Å; R637-W657 HydrophobicContact CG-CD2 4.41Å; R637-W657 HydrophobicContact CG-CE3 4.23Å; R637-W657 HydrophobicContact CG-CG 4.36Å; R637-W657 VanDerWaalsContact CZ-O 3.25Å; R637-W657 PolarHBondContact NE-O 3.45Å; R637-W657 PolarHBondContact NH2-O 3.45Å; P638-W657 HydrophobicContact CB-CH2 3.92Å; P638-W657 HydrophobicContact CB-CZ2 4.37Å; P638-W657 HydrophobicContact CG-CH2 3.86Å; P638-W657 HydrophobicContact CG-CZ2 3.83Å; L640-W657 HydrophobicContact CD1-CZ3 4.35Å; L640-W657 HydrophobicContact CD2-CH2 4.24Å; L640-W657 HydrophobicContact CD2-CZ3 3.98Å; L640-W657 HydrophobicContact CG-CZ3 4.29Å; M653-W657 HydrophobicContact CB-CE3 4.47Å; M653-W657 HydrophobicContact CB-CH2 4.24Å; M653-W657 HydrophobicContact CB-CZ3 4.23Å; M653-W657 PolarHBondContact O-N 3.01Å; M653-W657 VanDerWaalsContact O-N 3.16Å; T654-W657 PolarHBondContact O-N 3.41Å; T654-W657 VanDerWaalsContact O-N 3.17Å; A655-W657 PolarHBondContact O-N 3.23Å; W657-E659 PolarHBondContact O-N 3.01Å
658D95Very high95.3Very high54 Ų5451.1 Ų51.129%0.28924%0.241SC..  trans-53.3139.3179.1-160.4-68.2000111.3R660 W663 R664D658-R660 PolarHBondContact O-N 2.96Å; D658-R660 PolarHBondContact OD1-N 3.37Å; D658-W663 HydrophobicContact CB-CB 4.22Å; D658-R664 HydrophobicContact CB-CG 3.94Å; D658-R664 PolarHBondContact O-NE 2.89Å; D658-R664 PolarHBondContact O-NH2 3.25Å
659E91.9Very high95.4Very high30 Ų3053.8 Ų53.814%0.1426%0.255CS..SBendtrans-63.5-32.2179.8-170.361.4-153.400111.7R577 F635 R637 W657R577-E659 IonicContact CZ-OE1 3.09Å; R577-E659 IonicContact NH1-OE1 2.66Å; R577-E659 PolarHBondContact NH1-OE1 2.71Å; R577-E659 IonicContact NH2-OE1 2.66Å; R577-E659 PolarHBondContact NH2-OE1 3.28Å; F635-E659 HydrophobicContact CD1-CB 3.98Å; F635-E659 HydrophobicContact CE1-CB 3.77Å; F635-E659 HydrophobicContact CE1-CG 4.27Å; F635-E659 PolarHBondContact N-OE2 3.34Å; R637-E659 IonicContact CZ-OE2 2.73Å; R637-E659 IonicContact NH1-OE2 3.72Å; R637-E659 PolarHBondContact NH1-OE2 3.4Å; R637-E659 IonicContact NH2-OE2 3.44Å; R637-E659 PolarHBondContact NH2-OE2 3.38Å; W657-E659 PolarHBondContact O-N 3.01Å
660R92.7Very high95.5Very high159 Ų15953.5 Ų53.560%0.625%0.253SS*.SBendtrans-92.5120.4177-62.9-176.8-175.2-176.41.9110D658 D662 W663D658-R660 PolarHBondContact O-N 2.96Å; D658-R660 PolarHBondContact OD1-N 3.37Å; R660-D662 VanDerWaalsContact C-N 3.27Å; R660-D662 PolarHBondContact O-N 3.42Å; R660-W663 HydrophobicContact CB-CB 4.26Å; R660-W663 HydrophobicContact CB-CG 4.06Å; R660-W663 PolarHBondContact O-N 3.4Å; R660-W663 VanDerWaalsContact O-N 3.08Å
661P94.3Very high95.5Very high38 Ų3855.6 Ų55.625%0.24726%0.258CS..G310 helixtrans-56.6-37.6-178.1-26.434.8000114E574 R591 W663 R664E574-P661 HydrophobicContact CB-CG 4.13Å; E574-P661 HydrophobicContact CG-CG 3.68Å; R591-P661 HydrophobicContact CB-CB 4Å; R591-P661 WeakPolarHBondContact CB-O 3.47Å; R591-P661 WeakPolarHBondContact CD-O 3.05Å; R591-P661 WeakPolarHBondContact CG-O 3.16Å; R591-P661 PolarHBondContact NH1-O 2.87Å; P661-W663 PolarHBondContact O-N 3.3Å; P661-R664 PolarHBondContact O-N 3.49Å
662D94Very high95.5Very high128 Ų12858.3 Ų58.368%0.68427%0.272SS*.G310 helixtrans-69.5-16.7-177.8-59.9-37.8000114R591 R660R591-D662 PolarHBondContact NH1-O 3.08Å; R660-D662 VanDerWaalsContact C-N 3.27Å; R660-D662 PolarHBondContact O-N 3.42Å
663W95.2Very high95.5Very high174 Ų17463.9 Ų63.966%0.65929%0.293SS*.G310 helixtrans-90.9-15.6179.6-71.565.7000112.5D658 R660 P661D658-W663 HydrophobicContact CB-CB 4.22Å; R660-W663 HydrophobicContact CB-CB 4.26Å; R660-W663 HydrophobicContact CB-CG 4.06Å; R660-W663 PolarHBondContact O-N 3.4Å; R660-W663 VanDerWaalsContact O-N 3.08Å; P661-W663 PolarHBondContact O-N 3.3Å
664R96.6Very high95.5Very high1 Ų163.9 Ų63.90%0.00429%0.293CS..SBendtrans-69.8137.1176.5-60.8177.3-168.2149.88.5110.8E574 R591 T656 D658 P661E574-R664 VanDerWaalsContact CD-NH1 3.34Å; E574-R664 IonicContact OE1-CZ 3.63Å; E574-R664 IonicContact OE1-NH1 3.62Å; E574-R664 PolarHBondContact OE1-NH1 2.93Å; E574-R664 IonicContact OE1-NH2 2.92Å; E574-R664 IonicContact OE2-CZ 3.94Å; E574-R664 IonicContact OE2-NH1 3.41Å; E574-R664 PolarHBondContact OE2-NH1 3.12Å; E574-R664 IonicContact OE2-NH2 3.38Å; E574-R664 PolarHBondContact OE2-NH2 3.35Å; R591-R664 PolarHBondContact NH1-O 2.92Å; R591-R664 VanDerWaalsContact O-CD 3.31Å; R591-R664 WeakPolarHBondContact O-CD 3.37Å; R591-R664 PolarHBondContact O-NH1 3.08Å; R591-R664 VanDerWaalsContact O-NH1 3.09Å; T656-R664 VanDerWaalsContact O-CD 3.27Å; T656-R664 WeakPolarHBondContact O-CD 2.97Å; D658-R664 HydrophobicContact CB-CG 3.94Å; D658-R664 PolarHBondContact O-NE 2.89Å; D658-R664 PolarHBondContact O-NH2 3.25Å; P661-R664 PolarHBondContact O-N 3.49Å
665P96.7Very high95.4Very high4 Ų467.3 Ų67.33%0.02630%0.301CS..PPolyproline II helixtrans-69.2149.7-179.729.3-35.2000112.4S594 A655 T656 Q669 I670S594-P665 PolarHBondContact OG-O 3.39Å; A655-P665 HydrophobicContact CB-CG 4.27Å; A655-P665 VanDerWaalsContact O-CD 3.24Å; A655-P665 WeakPolarHBondContact O-CD 3.37Å; T656-P665 HydrophobicContact CG2-CG 4.02Å; P665-Q669 VanDerWaalsContact CA-OE1 3.25Å; P665-Q669 HydrophobicContact CB-CB 3.87Å; P665-I670 HydrophobicContact CB-CG1 3.97Å; P665-I670 HydrophobicContact CG-CD1 4.23Å; P665-I670 HydrophobicContact CG-CG1 3.65Å
666D96.2Very high95.1Very high61 Ų6169.3 Ų69.333%0.32631%0.312SS..PPolyproline II helixtrans-75.4166.9168.669.740.2000111.7R668 Q669 I670D666-R668 PolarHBondContact O-N 3.31Å; D666-R668 WeakPolarHBondContact OD1-CA 3.36Å; D666-R668 WeakPolarHBondContact OD1-CB 3.42Å; D666-R668 PolarHBondContact OD1-N 2.87Å; D666-Q669 WeakPolarHBondContact O-CB 3.28Å; D666-Q669 PolarHBondContact O-N 2.8Å; D666-Q669 VanDerWaalsContact O-N 3.11Å; D666-Q669 WeakPolarHBondContact OD1-CG 3.49Å; D666-Q669 PolarHBondContact OD1-N 2.62Å; D666-I670 VanDerWaalsContact O-CG1 3.31Å; D666-I670 WeakPolarHBondContact O-CG1 3.47Å; D666-I670 PolarHBondContact O-N 2.8Å
667F97Very high94.8Very high6 Ų670.6 Ų70.63%0.02632%0.319CS..Hα-helixtrans-64.9-22.3-176.9-74.2-64000114.6L516 L519 I520 H523 D593 F597 I670 R671L516-F667 HydrophobicContact CD2-CD1 3.79Å; L519-F667 HydrophobicContact CB-CD1 4.29Å; L519-F667 HydrophobicContact CB-CD2 3.92Å; L519-F667 HydrophobicContact CB-CE1 4.25Å; L519-F667 HydrophobicContact CB-CE2 3.87Å; L519-F667 HydrophobicContact CB-CG 4.15Å; L519-F667 HydrophobicContact CB-CZ 4.06Å; L519-F667 HydrophobicContact CD1-CD1 4.29Å; L519-F667 HydrophobicContact CD1-CE1 3.58Å; L519-F667 HydrophobicContact CD1-CE2 4.2Å; L519-F667 HydrophobicContact CD1-CZ 3.54Å; L519-F667 HydrophobicContact CD2-CE2 4.42Å; L519-F667 HydrophobicContact CD2-CZ 4.4Å; L519-F667 HydrophobicContact CG-CE1 4.49Å; L519-F667 HydrophobicContact CG-CE2 4.38Å; L519-F667 HydrophobicContact CG-CZ 4.2Å; I520-F667 HydrophobicContact CD1-CB 4.4Å; I520-F667 HydrophobicContact CG1-CB 3.6Å; H523-F667 AromaticContact CE1-CD2 3.41Å; H523-F667 VanDerWaalsContact CE1-CD2 3.41Å; H523-F667 WeakPolarHBondContact CE1-CD2 2.97Å; H523-F667 AromaticContact CE1-CE2 3.26Å; H523-F667 WeakPolarHBondContact CE1-CE2 3.46Å; H523-F667 AromaticContact ND1-CD2 3.52Å; H523-F667 AromaticContact ND1-CE2 3.87Å; H523-F667 AromaticContact NE2-CE2 3.65Å; D593-F667 HydrophobicContact CB-CE2 3.92Å; D593-F667 HydrophobicContact CB-CZ 4.07Å; F597-F667 HydrophobicContact CB-CE1 3.67Å; F597-F667 HydrophobicContact CB-CZ 4.05Å; F597-F667 HydrophobicContact CD1-CE1 4.43Å; F597-F667 AromaticContact CD2-CE1 3.97Å; F597-F667 HydrophobicContact CD2-CE1 3.97Å; F597-F667 AromaticContact CG-CE1 3.76Å; F597-F667 HydrophobicContact CG-CE1 3.76Å; F667-I670 HydrophobicContact CD1-CD1 3.75Å; F667-I670 HydrophobicContact CE1-CD1 3.98Å; F667-R671 VanDerWaalsContact O-CB 3.29Å; F667-R671 WeakPolarHBondContact O-CB 3.26Å; F667-R671 PolarHBondContact O-N 2.96Å
668R95.6Very high94.5Very high143 Ų14370.8 Ų70.854%0.5432%0.32SS..Hα-helixtrans-72.7-42.2173.8-62.1-179.1-179.4124.22110.2D524 D666 L672D524-R668 IonicContact OD1-CZ 3.13Å; D524-R668 IonicContact OD1-NH2 2.83Å; D524-R668 PolarHBondContact OD1-NH2 3.19Å; D524-R668 IonicContact OD2-CZ 2.95Å; D524-R668 IonicContact OD2-NH2 2.69Å; D524-R668 PolarHBondContact OD2-NH2 2.85Å; D666-R668 PolarHBondContact O-N 3.31Å; D666-R668 WeakPolarHBondContact OD1-CA 3.36Å; D666-R668 WeakPolarHBondContact OD1-CB 3.42Å; D666-R668 PolarHBondContact OD1-N 2.87Å; R668-L672 WeakPolarHBondContact O-CB 3.3Å; R668-L672 PolarHBondContact O-N 3.07Å
669Q96.6Very high93.8Very high99 Ų9975.6 Ų75.646%0.46334%0.338SS..Hα-helixtrans-65.3-43.6173.9-68.1174.7-11.400111.7P665 D666 L672 R673P665-Q669 VanDerWaalsContact CA-OE1 3.25Å; P665-Q669 HydrophobicContact CB-CB 3.87Å; D666-Q669 WeakPolarHBondContact O-CB 3.28Å; D666-Q669 PolarHBondContact O-N 2.8Å; D666-Q669 VanDerWaalsContact O-N 3.11Å; D666-Q669 WeakPolarHBondContact OD1-CG 3.49Å; D666-Q669 PolarHBondContact OD1-N 2.62Å; Q669-L672 WeakPolarHBondContact O-CB 3.43Å; Q669-L672 PolarHBondContact O-N 2.77Å; Q669-R673 WeakPolarHBondContact O-CG 3.41Å; Q669-R673 PolarHBondContact O-N 2.66Å
670I97.6Very high92.8Very high0 Ų076 Ų760%035%0.351CS..Hα-helixtrans-58.9-49.2175.6-66.1166.9000110.2L516 F597 T652 T656 P665 D666 F667 L672 R673 L674L516-I670 HydrophobicContact CD2-CB 4.3Å; L516-I670 HydrophobicContact CD2-CG2 3.73Å; F597-I670 HydrophobicContact CD1-CD1 4.3Å; F597-I670 HydrophobicContact CD1-CG2 4.12Å; F597-I670 HydrophobicContact CE1-CG2 3.46Å; F597-I670 VanDerWaalsContact CE1-CG2 3.46Å; F597-I670 HydrophobicContact CZ-CG2 3.91Å; T652-I670 HydrophobicContact CG2-CG2 3.92Å; T656-I670 HydrophobicContact CG2-CD1 3.62Å; T656-I670 HydrophobicContact CG2-CG1 3.95Å; P665-I670 HydrophobicContact CB-CG1 3.97Å; P665-I670 HydrophobicContact CG-CD1 4.23Å; P665-I670 HydrophobicContact CG-CG1 3.65Å; D666-I670 VanDerWaalsContact O-CG1 3.31Å; D666-I670 WeakPolarHBondContact O-CG1 3.47Å; D666-I670 PolarHBondContact O-N 2.8Å; F667-I670 HydrophobicContact CD1-CD1 3.75Å; F667-I670 HydrophobicContact CE1-CD1 3.98Å; I670-L672 PolarHBondContact O-N 3.48Å; I670-R673 PolarHBondContact O-N 3.04Å; I670-R673 VanDerWaalsContact O-N 3.14Å; I670-L674 HydrophobicContact CG2-CD1 3.93Å; I670-L674 PolarHBondContact O-N 3.26Å
671R95.5Very high91.6Very high89 Ų8969.8 Ų69.834%0.33633%0.329SS..Hα-helixtrans-59.7-36.3177.5-172173.8-171.9174.95.1112.4D513 L516 I520 F667 L674 K675 F678D513-R671 IonicContact OD1-CZ 3.6Å; D513-R671 IonicContact OD1-NE 3.25Å; D513-R671 PolarHBondContact OD1-NE 3.37Å; D513-R671 IonicContact OD1-NH2 2.95Å; D513-R671 PolarHBondContact OD1-NH2 3.11Å; D513-R671 IonicContact OD2-NH2 2.68Å; L516-R671 HydrophobicContact CD1-CB 4.1Å; L516-R671 HydrophobicContact CD1-CG 4.19Å; I520-R671 HydrophobicContact CD1-CB 4.48Å; F667-R671 VanDerWaalsContact O-CB 3.29Å; F667-R671 WeakPolarHBondContact O-CB 3.26Å; F667-R671 PolarHBondContact O-N 2.96Å; R671-L674 PolarHBondContact O-N 3.35Å; R671-K675 PolarHBondContact O-N 3.14Å; R671-K675 VanDerWaalsContact O-N 3.09Å; R671-F678 HydrophobicContact CG-CE2 4.24Å
672L94.9Very high89.9Confident133 Ų13375.2 Ų75.270%0.69636%0.355SS*.Hα-helixtrans-68.4-39.5177.4-152.6118.3000112.1R668 Q669 I670 K675R668-L672 WeakPolarHBondContact O-CB 3.3Å; R668-L672 PolarHBondContact O-N 3.07Å; Q669-L672 WeakPolarHBondContact O-CB 3.43Å; Q669-L672 PolarHBondContact O-N 2.77Å; I670-L672 PolarHBondContact O-N 3.48Å; L672-K675 VanDerWaalsContact O-CB 3.22Å; L672-K675 WeakPolarHBondContact O-CB 3.44Å; L672-K675 PolarHBondContact O-N 3.42Å
673R96.2Very high88.2Confident119 Ų11977.8 Ų77.845%0.44936%0.36SS..Hα-helixtrans-65.5-38.8174.5-69.6176.7176.3-128.82112.1Y648 T652 Q669 I670 K675 P676Y648-R673 WeakPolarHBondContact CD2-O 3.17Å; T652-R673 HydrophobicContact CG2-CB 4.37Å; T652-R673 WeakPolarHBondContact OG1-CB 3.33Å; Q669-R673 WeakPolarHBondContact O-CG 3.41Å; Q669-R673 PolarHBondContact O-N 2.66Å; I670-R673 PolarHBondContact O-N 3.04Å; I670-R673 VanDerWaalsContact O-N 3.14Å; R673-K675 VanDerWaalsContact C-N 3.31Å; R673-K675 PolarHBondContact O-N 3.33Å; R673-P676 WeakPolarHBondContact O-CD 3.35Å
674L95.3Very high86.2Confident0 Ų077 Ų770%036%0.357CS..THydrogen-bonded Turntrans-84.91179.5-63.8175.5000114.4V512 L516 F597 L601 Y648 I649 T652 I670 R671 P676 M677 F678V512-L674 HydrophobicContact CG1-CD1 3.89Å; L516-L674 HydrophobicContact CD1-CD1 4.22Å; F597-L674 HydrophobicContact CE1-CD1 4.23Å; F597-L674 HydrophobicContact CZ-CD1 3.96Å; L601-L674 HydrophobicContact CD2-CD1 4.21Å; Y648-L674 HydrophobicContact CD2-CD2 4.02Å; Y648-L674 HydrophobicContact CE2-CD2 3.83Å; I649-L674 HydrophobicContact CG1-CD2 4.17Å; T652-L674 HydrophobicContact CG2-CD1 4.23Å; T652-L674 HydrophobicContact CG2-CD2 4.1Å; T652-L674 HydrophobicContact CG2-CG 3.99Å; I670-L674 HydrophobicContact CG2-CD1 3.93Å; I670-L674 PolarHBondContact O-N 3.26Å; R671-L674 PolarHBondContact O-N 3.35Å; L674-P676 VanDerWaalsContact C-N 3.29Å; L674-P676 WeakPolarHBondContact O-CD 3.31Å; L674-P676 VanDerWaalsContact O-N 3.1Å; L674-M677 WeakPolarHBondContact O-CB 2.91Å; L674-M677 PolarHBondContact O-N 3.34Å; L674-F678 HydrophobicContact CB-CE2 3.84Å; L674-F678 HydrophobicContact CB-CZ 3.81Å; L674-F678 WeakPolarHBondContact O-CE2 3.38Å
675K92.6Very high84.6Confident145 Ų14582 Ų8263%0.6338%0.384SS*.THydrogen-bonded Turntrans-48.5-36.8-179.7-170.2177.6-177.7179.20115.3R671 L672 R673 M677 F678R671-K675 PolarHBondContact O-N 3.14Å; R671-K675 VanDerWaalsContact O-N 3.09Å; L672-K675 VanDerWaalsContact O-CB 3.22Å; L672-K675 WeakPolarHBondContact O-CB 3.44Å; L672-K675 PolarHBondContact O-N 3.42Å; R673-K675 VanDerWaalsContact C-N 3.31Å; R673-K675 PolarHBondContact O-N 3.33Å; K675-M677 PolarHBondContact O-N 2.66Å; K675-F678 PolarHBondContact O-N 3.24Å
676P91.5Very high83.2Confident64 Ų6482.7 Ų82.742%0.41639%0.387SS..THydrogen-bonded Turntrans-57.5-35.5176.7-25.335.7000113.5Y648 R673 L674 F678 K679Y648-P676 HydrophobicContact CD1-CB 4.46Å; Y648-P676 HydrophobicContact CD1-CG 4.5Å; Y648-P676 HydrophobicContact CD2-CG 4.31Å; Y648-P676 HydrophobicContact CE1-CB 4Å; Y648-P676 HydrophobicContact CE1-CG 4.47Å; Y648-P676 HydrophobicContact CE2-CB 4.25Å; Y648-P676 HydrophobicContact CE2-CG 4.3Å; Y648-P676 HydrophobicContact CG-CG 4.42Å; R673-P676 WeakPolarHBondContact O-CD 3.35Å; L674-P676 VanDerWaalsContact C-N 3.29Å; L674-P676 WeakPolarHBondContact O-CD 3.31Å; L674-P676 VanDerWaalsContact O-N 3.1Å; P676-F678 VanDerWaalsContact C-N 3.31Å; P676-F678 PolarHBondContact O-N 3.16Å; P676-K679 PolarHBondContact O-N 3.47Å
677M90.4Very high81.7Confident27 Ų2783 Ų8313%0.13339%0.387CS..G310 helixtrans-61.3-38-178.5-156.8-175.7-174.100112.7I508 A509 V512 F605 Y648 L674 K675 K679I508-M677 HydrophobicContact CB-CE 4.2Å; I508-M677 HydrophobicContact CG2-CE 3.32Å; A509-M677 VanDerWaalsContact CA-CE 3.48Å; A509-M677 HydrophobicContact CB-CE 3.86Å; A509-M677 HydrophobicContact CB-CG 3.69Å; A509-M677 HydrophobicContact CB-SD 4.11Å; V512-M677 HydrophobicContact CB-SD 4.23Å; V512-M677 HydrophobicContact CG1-SD 4.25Å; V512-M677 HydrophobicContact CG2-CE 4.26Å; V512-M677 HydrophobicContact CG2-SD 4.34Å; F605-M677 HydrophobicContact CE2-CE 4.31Å; F605-M677 HydrophobicContact CZ-CE 3.65Å; Y648-M677 HydrophobicContact CE2-CB 4.29Å; Y648-M677 VanDerWaalsContact OH-CA 3.24Å; Y648-M677 WeakPolarHBondContact OH-CA 3.41Å; Y648-M677 WeakPolarHBondContact OH-CB 3.49Å; Y648-M677 PolarHBondContact OH-N 2.92Å; L674-M677 WeakPolarHBondContact O-CB 2.91Å; L674-M677 PolarHBondContact O-N 3.34Å; K675-M677 PolarHBondContact O-N 2.66Å; M677-K679 VanDerWaalsContact C-N 3.32Å; M677-K679 PolarHBondContact O-N 2.99Å
678F88.2Confident80.3Confident13 Ų1387 Ų876%0.05741%0.409CS..G310 helixtrans-84.6-2.5-169.8-48.2-48.7000114A509 V512 D513 L516 R671 L674 K675 P676 G680 I681 L682A509-F678 WeakPolarHBondContact O-CE1 3.41Å; V512-F678 HydrophobicContact CB-CE1 4.24Å; V512-F678 HydrophobicContact CG1-CE1 4.02Å; V512-F678 HydrophobicContact CG1-CZ 3.96Å; D513-F678 HydrophobicContact CB-CD1 3.72Å; D513-F678 HydrophobicContact CB-CE1 3.67Å; D513-F678 HydrophobicContact CB-CG 4.39Å; D513-F678 HydrophobicContact CB-CZ 4.29Å; L516-F678 HydrophobicContact CD1-CE2 4.11Å; L516-F678 HydrophobicContact CD1-CZ 3.67Å; R671-F678 HydrophobicContact CG-CE2 4.24Å; L674-F678 HydrophobicContact CB-CE2 3.84Å; L674-F678 HydrophobicContact CB-CZ 3.81Å; L674-F678 WeakPolarHBondContact O-CE2 3.38Å; K675-F678 PolarHBondContact O-N 3.24Å; P676-F678 VanDerWaalsContact C-N 3.31Å; P676-F678 PolarHBondContact O-N 3.16Å; F678-G680 PolarHBondContact O-N 3.17Å; F678-I681 HydrophobicContact CD1-CD1 4.24Å; F678-I681 PolarHBondContact O-N 3.45Å; F678-L682 PolarHBondContact O-N 3.29Å
679K81.3Confident79Confident155 Ų15582 Ų8267%0.67439%0.392SS*.G310 helixtrans-60.1-31.4-179.5-78.8-176.8177.3176.40113.4P676 M677P676-K679 PolarHBondContact O-N 3.47Å; M677-K679 VanDerWaalsContact C-N 3.32Å; M677-K679 PolarHBondContact O-N 2.99Å
680G69.5Low77.4Confident39 Ų3979.5 Ų79.540%0.40238%0.381SS..THydrogen-bonded Turntrans-75.9-40.3-179.500000113.7F678 L682 K683F678-G680 PolarHBondContact O-N 3.17Å; G680-L682 PolarHBondContact O-N 2.97Å; G680-K683 PolarHBondContact O-N 2.8Å
681I68.7Low75.9Confident28 Ų2884.4 Ų84.414%0.14441%0.405CS..G310 helixtrans-65.9-40.4-177.1-66.1160.1000111.8L506 A509 S510 F678 K683 R684L506-I681 HydrophobicContact CG-CG1 4.36Å; A509-I681 HydrophobicContact CB-CD1 3.37Å; A509-I681 HydrophobicContact CB-CG1 4.13Å; A509-I681 WeakPolarHBondContact O-CD1 3.45Å; S510-I681 VanDerWaalsContact N-CD1 3.33Å; F678-I681 HydrophobicContact CD1-CD1 4.24Å; F678-I681 PolarHBondContact O-N 3.45Å; I681-K683 PolarHBondContact O-N 2.79Å; I681-R684 PolarHBondContact O-N 2.71Å; I681-R684 VanDerWaalsContact O-N 3.08Å
682L58.6Low74.6Confident152 Ų15282.4 Ų82.480%0.79641%0.408SS*.G310 helixtrans-59.6-10.5-178.4-76.2161.2000113.6F678 G680F678-L682 PolarHBondContact O-N 3.29Å; G680-L682 PolarHBondContact O-N 2.97Å
683K57.6Low73.1Confident181 Ų18178.9 Ų78.979%0.78739%0.388SS*.G310 helixtrans-103.8-17179.1-66.7-173.9176.5-1760114.9G680 I681G680-K683 PolarHBondContact O-N 2.8Å; I681-K683 PolarHBondContact O-N 2.79Å
684R54.2Low71.5Confident159 Ų15979.1 Ų79.160%0.640%0.396SS*.SBendtrans-147.9136.1-173.5-71.9-173.5173.2179.8-4.4112.2I681I681-R684 PolarHBondContact O-N 2.71Å; I681-R684 VanDerWaalsContact O-N 3.08Å
685N63.6Low70.4Confident104 Ų10485.6 Ų85.656%0.55643%0.426SS*.  trans-72.8138.1171.4-162-10.5000109.3M687 D688 H689N685-M687 VanDerWaalsContact C-N 3.27Å; N685-M687 PolarHBondContact O-N 3.49Å; N685-D688 WeakPolarHBondContact CB-OD2 3.4Å; N685-D688 WeakPolarHBondContact O-CB 3.39Å; N685-D688 PolarHBondContact O-N 3.38Å; N685-D688 VanDerWaalsContact O-N 3.07Å; N685-H689 PolarHBondContact O-N 3.42Å
686I66Low69.3Low20 Ų2086.7 Ų86.710%0.10343%0.431CS..Hα-helixtrans-63.2-33.8-172.4-73.4147.4000112.5L506 F507 S510 W544 D688 H689 M690L506-I686 HydrophobicContact CD2-CG1 4.18Å; F507-I686 HydrophobicContact CD1-CG2 4.39Å; F507-I686 HydrophobicContact CE1-CG2 3.8Å; F507-I686 HydrophobicContact CE2-CG2 4.37Å; F507-I686 HydrophobicContact CZ-CG2 3.79Å; S510-I686 WeakPolarHBondContact OG-CD1 3.49Å; W544-I686 HydrophobicContact CB-CG2 4.47Å; I686-D688 VanDerWaalsContact C-N 3.31Å; I686-D688 PolarHBondContact O-N 2.92Å; I686-H689 WeakPolarHBondContact O-CB 3.36Å; I686-H689 PolarHBondContact O-N 2.83Å; I686-M690 PolarHBondContact O-N 2.95Å
687M65Low67.9Low66 Ų6690 Ų9033%0.32544%0.436SS..Hα-helixtrans-63.1-38.2175.7-68.9-68.1-76.500111.8N685 H689 M690 M691N685-M687 VanDerWaalsContact C-N 3.27Å; N685-M687 PolarHBondContact O-N 3.49Å; M687-H689 VanDerWaalsContact C-N 3.29Å; M687-H689 PolarHBondContact O-N 3.29Å; M687-M690 HydrophobicContact CE-CE 4.31Å; M687-M690 PolarHBondContact O-N 2.9Å; M687-M690 HydrophobicContact SD-CE 3.98Å; M687-M691 HydrophobicContact CB-CE 4.3Å; M687-M691 PolarHBondContact O-N 3.41Å
688D68.4Low66.6Low91 Ų9194.6 Ų94.649%0.48746%0.457SS..Hα-helixtrans-66.9-36.7176.7-57.6-23.9000110.6N685 I686 M691 A692N685-D688 WeakPolarHBondContact CB-OD2 3.4Å; N685-D688 WeakPolarHBondContact O-CB 3.39Å; N685-D688 PolarHBondContact O-N 3.38Å; N685-D688 VanDerWaalsContact O-N 3.07Å; I686-D688 VanDerWaalsContact C-N 3.31Å; I686-D688 PolarHBondContact O-N 2.92Å; D688-M691 PolarHBondContact O-N 2.82Å; D688-A692 WeakPolarHBondContact O-CB 3.31Å; D688-A692 PolarHBondContact O-N 3.21Å
689H68.6Low65.7Low37 Ų3797.4 Ų97.417%0.17148%0.479CS..Hα-helixtrans-68.1-39.1175.4-169.365.5000112D504 L506 N685 I686 M687 A692 M693D504-H689 IonicContact OD2-CD2 3.01Å; D504-H689 PolarHBondContact OD2-CD2 2.95Å; D504-H689 IonicContact OD2-CE1 3.78Å; D504-H689 IonicContact OD2-NE2 3.61Å; D504-H689 PolarHBondContact OD2-NE2 3.36Å; L506-H689 HydrophobicContact CD2-CB 3.92Å; N685-H689 PolarHBondContact O-N 3.42Å; I686-H689 WeakPolarHBondContact O-CB 3.36Å; I686-H689 PolarHBondContact O-N 2.83Å; M687-H689 VanDerWaalsContact C-N 3.29Å; M687-H689 PolarHBondContact O-N 3.29Å; H689-A692 PolarHBondContact O-N 3.25Å; H689-M693 WeakPolarHBondContact O-CB 3.42Å; H689-M693 PolarHBondContact O-N 2.98Å
690M62.5Low65.1Low47 Ų4795.7 Ų95.723%0.23247%0.473CS..Hα-helixtrans-66.5-41.4174.8-165.8176.772.300111.8I686 M687 M693 M694I686-M690 PolarHBondContact O-N 2.95Å; M687-M690 HydrophobicContact CE-CE 4.31Å; M687-M690 PolarHBondContact O-N 2.9Å; M687-M690 HydrophobicContact SD-CE 3.98Å; M690-M693 PolarHBondContact O-N 3.19Å; M690-M694 PolarHBondContact O-N 3.21Å
691M66.6Low64.8Low103 Ų10398.8 Ų98.851%0.50748%0.48SS..Hα-helixtrans-60.7-46.4173.6-82.3-174.9-95.900111.5M687 D688 M693 M694 E695M687-M691 HydrophobicContact CB-CE 4.3Å; M687-M691 PolarHBondContact O-N 3.41Å; D688-M691 PolarHBondContact O-N 2.82Å; M691-M693 VanDerWaalsContact C-N 3.28Å; M691-M693 PolarHBondContact O-N 3.23Å; M691-M694 PolarHBondContact O-N 3.38Å; M691-E695 PolarHBondContact O-N 2.83Å
692A67.5Low64.9Low48 Ų48103.2 Ų103.240%0.39750%0.499SS..Hα-helixtrans-62.6-34.6176.300000112.8D688 H689 K696D688-A692 WeakPolarHBondContact O-CB 3.31Å; D688-A692 PolarHBondContact O-N 3.21Å; H689-A692 PolarHBondContact O-N 3.25Å; A692-K696 PolarHBondContact O-N 2.96Å
693M62.6Low65.8Low59 Ų59101.9 Ų101.929%0.29149%0.489SS..Hα-helixtrans-70.2-40.6176-160.6-172.9-61.100111.7D504 H689 M690 M691 K696 Y697D504-M693 WeakPolarHBondContact OD2-CE 3.24Å; H689-M693 WeakPolarHBondContact O-CB 3.42Å; H689-M693 PolarHBondContact O-N 2.98Å; M690-M693 PolarHBondContact O-N 3.19Å; M691-M693 VanDerWaalsContact C-N 3.28Å; M691-M693 PolarHBondContact O-N 3.23Å; M693-K696 PolarHBondContact O-N 3.02Å; M693-Y697 PolarHBondContact O-N 3.37Å; M693-Y697 VanDerWaalsContact O-N 3.09Å
694M63.3Low66.5Low124 Ų12497.4 Ų97.461%0.61147%0.473SS*.Hα-helixtrans-64-45.2175.4-81.3-172.8153.300112.1M690 M691 K696 Y697 Q698M690-M694 PolarHBondContact O-N 3.21Å; M691-M694 PolarHBondContact O-N 3.38Å; M694-K696 VanDerWaalsContact C-N 3.32Å; M694-K696 PolarHBondContact O-N 3.03Å; M694-Y697 PolarHBondContact O-N 2.87Å; M694-Q698 WeakPolarHBondContact O-CB 3.46Å; M694-Q698 PolarHBondContact O-N 2.93Å
695E71.7Confident67.3Low136 Ų13694 Ų9464%0.63647%0.47SS*.Hα-helixtrans-56.7-46.4175.1-81.8-178.1155.700111.6M691 Y697 Q698 S699M691-E695 PolarHBondContact O-N 2.83Å; E695-Y697 VanDerWaalsContact C-N 3.33Å; E695-Y697 PolarHBondContact O-N 3.37Å; E695-Q698 PolarHBondContact O-N 3.21Å; E695-Q698 VanDerWaalsContact O-N 3.16Å; E695-S699 PolarHBondContact O-N 3.43Å; E695-S699 PolarHBondContact O-OG 2.66Å
696K68.7Low68.1Low167 Ų16795.4 Ų95.473%0.72647%0.474SS*.Hα-helixtrans-64.5-38.1-179.3-162.1179-176.1-176.80112.6A692 M693 M694 Q698 H700A692-K696 PolarHBondContact O-N 2.96Å; M693-K696 PolarHBondContact O-N 3.02Å; M694-K696 VanDerWaalsContact C-N 3.32Å; M694-K696 PolarHBondContact O-N 3.03Å; K696-Q698 VanDerWaalsContact C-N 3.35Å; K696-H700 PolarHBondContact O-N 3.21Å
697Y62Low68.7Low133 Ų13399.9 Ų99.952%0.52249%0.494SS..Hα-helixtrans-65.6-39.6174.4-108-78.1000111.6K502 M693 M694 E695 H700 L701K502-Y697 PolarHBondContact NZ-OH 3.03Å; M693-Y697 PolarHBondContact O-N 3.37Å; M693-Y697 VanDerWaalsContact O-N 3.09Å; M694-Y697 PolarHBondContact O-N 2.87Å; E695-Y697 VanDerWaalsContact C-N 3.33Å; E695-Y697 PolarHBondContact O-N 3.37Å; Y697-H700 PolarHBondContact O-N 3.17Å; Y697-L701 PolarHBondContact O-N 3.19Å; Y697-L701 VanDerWaalsContact O-N 3.13Å
698Q64.5Low68.9Low125 Ų125104.2 Ų104.258%0.58451%0.507SS*.Hα-helixtrans-67.2-44.5179.4-169.9163.7-2000111.9M694 E695 K696 H700 L701 E702M694-Q698 WeakPolarHBondContact O-CB 3.46Å; M694-Q698 PolarHBondContact O-N 2.93Å; E695-Q698 PolarHBondContact O-N 3.21Å; E695-Q698 VanDerWaalsContact O-N 3.16Å; K696-Q698 VanDerWaalsContact C-N 3.35Å; Q698-H700 VanDerWaalsContact C-N 3.33Å; Q698-H700 PolarHBondContact O-N 3.35Å; Q698-L701 WeakPolarHBondContact O-CB 3.44Å; Q698-L701 PolarHBondContact O-N 3.33Å; Q698-E702 PolarHBondContact O-N 3.18Å
699S68.8Low69.4Low72 Ų72103.5 Ų103.550%0.50351%0.506SS..Hα-helixtrans-61.7-38.9176.2-56.30000113E695 L701 E702 E703E695-S699 PolarHBondContact O-N 3.43Å; E695-S699 PolarHBondContact O-OG 2.66Å; S699-L701 VanDerWaalsContact C-N 3.33Å; S699-E702 PolarHBondContact O-N 2.9Å; S699-E703 PolarHBondContact O-N 3.1Å; S699-E703 VanDerWaalsContact O-N 3.1Å
700H69.5Low70Confident119 Ų119107.1 Ų107.155%0.55152%0.523SS*.Hα-helixtrans-70-32.2178.1-165.567.2000112.5K696 Y697 Q698 E703 L704K696-H700 PolarHBondContact O-N 3.21Å; Y697-H700 PolarHBondContact O-N 3.17Å; Q698-H700 VanDerWaalsContact C-N 3.33Å; Q698-H700 PolarHBondContact O-N 3.35Å; H700-E703 IonicContact ND1-OE2 2.7Å; H700-L704 PolarHBondContact O-N 2.79Å; H700-L704 VanDerWaalsContact O-N 3.14Å
701L62.4Low70.9Confident104 Ų104109.5 Ų109.555%0.54553%0.533SS..Hα-helixtrans-66.1-41.8172.7-99.7154.9000111.7Y697 Q698 S699 L704 V705Y697-L701 PolarHBondContact O-N 3.19Å; Y697-L701 VanDerWaalsContact O-N 3.13Å; Q698-L701 WeakPolarHBondContact O-CB 3.44Å; Q698-L701 PolarHBondContact O-N 3.33Å; S699-L701 VanDerWaalsContact C-N 3.33Å; L701-L704 PolarHBondContact O-N 3.16Å; L701-V705 VanDerWaalsContact O-CG2 3.28Å; L701-V705 WeakPolarHBondContact O-CG2 3.45Å; L701-V705 PolarHBondContact O-N 3.34Å
702E71.7Confident71.3Confident120 Ų120110.8 Ų110.856%0.56154%0.541SS*.Hα-helixtrans-61.3-45.8175.5-73.4174.5175.400111.6Q698 S699 L704 V705 E706Q698-E702 PolarHBondContact O-N 3.18Å; S699-E702 PolarHBondContact O-N 2.9Å; E702-L704 PolarHBondContact O-N 3.36Å; E702-V705 PolarHBondContact O-N 3.21Å; E702-E706 WeakPolarHBondContact O-CB 3.38Å; E702-E706 PolarHBondContact O-N 3.2Å
703E76.2Confident71.7Confident125 Ų125115.5 Ų115.558%0.58455%0.553SS**Hα-helixtrans-58.6-44.6177.1-171.2178.4-158.900112S699 H700 E706 E707S699-E703 PolarHBondContact O-N 3.1Å; S699-E703 VanDerWaalsContact O-N 3.1Å; H700-E703 IonicContact ND1-OE2 2.7Å; E703-E706 PolarHBondContact O-N 3.01Å; E703-E707 PolarHBondContact O-N 3.17Å
704L73.4Confident72.5Confident86 Ų86118.4 Ų118.445%0.4557%0.566SS.*Hα-helixtrans-67-37.7178.5-166.675.5000112.4H700 L701 E702 E706 R708H700-L704 PolarHBondContact O-N 2.79Å; H700-L704 VanDerWaalsContact O-N 3.14Å; L701-L704 PolarHBondContact O-N 3.16Å; E702-L704 PolarHBondContact O-N 3.36Å; L704-E706 VanDerWaalsContact C-N 3.35Å; L704-R708 WeakPolarHBondContact O-CG 3.48Å; L704-R708 PolarHBondContact O-N 2.76Å; L704-R708 VanDerWaalsContact O-N 3.16Å
705V71Confident73Confident89 Ų89117.7 Ų117.754%0.53956%0.561SS.*Hα-helixtrans-65.8-41.4175.6168.90000110.4L701 E702 R708 T709L701-V705 VanDerWaalsContact O-CG2 3.28Å; L701-V705 WeakPolarHBondContact O-CG2 3.45Å; L701-V705 PolarHBondContact O-N 3.34Å; E702-V705 PolarHBondContact O-N 3.21Å; V705-R708 PolarHBondContact O-N 3.33Å; V705-T709 WeakPolarHBondContact O-CB 3.49Å; V705-T709 PolarHBondContact O-N 3.29Å; V705-T709 PolarHBondContact O-OG1 2.94Å
706E78.8Confident73.3Confident133 Ų133118 Ų11862%0.62156%0.56SS**Hα-helixtrans-62.7-48.1177.9-163.1166.1-155.200111.3E702 E703 L704 R708 T709 E710E702-E706 WeakPolarHBondContact O-CB 3.38Å; E702-E706 PolarHBondContact O-N 3.2Å; E703-E706 PolarHBondContact O-N 3.01Å; L704-E706 VanDerWaalsContact C-N 3.35Å; E706-R708 PolarHBondContact O-N 3.15Å; E706-T709 WeakPolarHBondContact O-CB 3.45Å; E706-T709 PolarHBondContact O-N 3.28Å; E706-T709 VanDerWaalsContact O-N 3.08Å; E706-E710 PolarHBondContact O-N 2.94Å
707E79.6Confident73.8Confident114 Ų114116.8 Ų116.853%0.53356%0.555SS.*Hα-helixtrans-54.4-49.2175.6-174.6-175.3-167.100112E703 T709 E710 E711E703-E707 PolarHBondContact O-N 3.17Å; E707-T709 VanDerWaalsContact C-N 3.28Å; E707-T709 PolarHBondContact O-N 3.14Å; E707-E710 WeakPolarHBondContact O-CB 3.49Å; E707-E710 PolarHBondContact O-N 2.89Å; E707-E711 PolarHBondContact O-N 3.12Å; E707-E711 VanDerWaalsContact O-N 3.15Å
708R69.9Low74.5Confident156 Ų156117.6 Ų117.659%0.58956%0.557SS**Hα-helixtrans-65.9-30.8179-69.9-59.8-168.3158.54.3113.3L704 V705 E706 E711 L712L704-R708 WeakPolarHBondContact O-CG 3.48Å; L704-R708 PolarHBondContact O-N 2.76Å; L704-R708 VanDerWaalsContact O-N 3.16Å; V705-R708 PolarHBondContact O-N 3.33Å; E706-R708 PolarHBondContact O-N 3.15Å; R708-E711 VanDerWaalsContact CD-OE2 3.29Å; R708-E711 WeakPolarHBondContact CD-OE2 3.24Å; R708-E711 IonicContact CZ-OE2 3.53Å; R708-E711 IonicContact NE-OE2 2.65Å; R708-E711 IonicContact NH1-OE2 2.97Å; R708-E711 PolarHBondContact NH1-OE2 2.94Å; R708-L712 PolarHBondContact O-N 3.16Å
709T77.1Confident75Confident76 Ų76115.1 Ų115.147%0.46655%0.551SS.*Hα-helixtrans-71.8-35177.6-52.80000111.1V705 E706 E707 K713V705-T709 WeakPolarHBondContact O-CB 3.49Å; V705-T709 PolarHBondContact O-N 3.29Å; V705-T709 PolarHBondContact O-OG1 2.94Å; E706-T709 WeakPolarHBondContact O-CB 3.45Å; E706-T709 PolarHBondContact O-N 3.28Å; E706-T709 VanDerWaalsContact O-N 3.08Å; E707-T709 VanDerWaalsContact C-N 3.28Å; E707-T709 PolarHBondContact O-N 3.14Å; T709-K713 PolarHBondContact O-N 3.3Å
710E82.7Confident75.5Confident114 Ų114115.1 Ų115.153%0.53354%0.543SS..Hα-helixtrans-64.5-48173.5-150.191.6-134.800111.3E706 E707 L712 K713 E714E706-E710 PolarHBondContact O-N 2.94Å; E707-E710 WeakPolarHBondContact O-CB 3.49Å; E707-E710 PolarHBondContact O-N 2.89Å; E710-L712 VanDerWaalsContact C-N 3.31Å; E710-L712 PolarHBondContact O-N 3.22Å; E710-K713 WeakPolarHBondContact O-CB 3.32Å; E710-K713 PolarHBondContact O-N 3.11Å; E710-K713 VanDerWaalsContact O-N 3.09Å; E710-E714 PolarHBondContact O-N 3.15Å; E710-E714 VanDerWaalsContact O-N 3.09Å
711E79.8Confident75.9Confident97 Ų97112.5 Ų112.545%0.45354%0.535SS..Hα-helixtrans-55.4-44.8176.5-70.7-172.9149.500111.8E707 R708 K713 E714 E715E707-E711 PolarHBondContact O-N 3.12Å; E707-E711 VanDerWaalsContact O-N 3.15Å; R708-E711 VanDerWaalsContact CD-OE2 3.29Å; R708-E711 WeakPolarHBondContact CD-OE2 3.24Å; R708-E711 IonicContact CZ-OE2 3.53Å; R708-E711 IonicContact NE-OE2 2.65Å; R708-E711 IonicContact NH1-OE2 2.97Å; R708-E711 PolarHBondContact NH1-OE2 2.94Å; E711-K713 VanDerWaalsContact C-N 3.32Å; E711-K713 PolarHBondContact O-N 2.83Å; E711-E714 PolarHBondContact O-N 3.13Å; E711-E715 PolarHBondContact O-N 2.8Å; E711-E715 VanDerWaalsContact O-N 3.15Å
712L75.3Confident76.5Confident129 Ų129110.9 Ų110.968%0.67553%0.527SS*.Hα-helixtrans-63.7-38.6179-173.270.5000111.9R708 E710 K716R708-L712 PolarHBondContact O-N 3.16Å; E710-L712 VanDerWaalsContact C-N 3.31Å; E710-L712 PolarHBondContact O-N 3.22Å; L712-K716 WeakPolarHBondContact O-CB 3.49Å; L712-K716 PolarHBondContact O-N 3.29Å
713K77.3Confident76.7Confident148 Ų148107.5 Ų107.564%0.64351%0.512SS*.Hα-helixtrans-63.6-44177.6-112.4178.3-178.6171.40111.7T709 E710 E711 K716 K717T709-K713 PolarHBondContact O-N 3.3Å; E710-K713 WeakPolarHBondContact O-CB 3.32Å; E710-K713 PolarHBondContact O-N 3.11Å; E710-K713 VanDerWaalsContact O-N 3.09Å; E711-K713 VanDerWaalsContact C-N 3.32Å; E711-K713 PolarHBondContact O-N 2.83Å; K713-K716 PolarHBondContact O-N 2.68Å; K713-K717 PolarHBondContact O-N 3.24Å; K713-K717 VanDerWaalsContact O-N 3.09Å
714E79.7Confident76.7Confident120 Ų120104.9 Ų104.956%0.56150%0.5SS*.Hα-helixtrans-64.2-44.3178.6-70.9-160.114800112.2E710 E711 K716 K717 R718E710-E714 PolarHBondContact O-N 3.15Å; E710-E714 VanDerWaalsContact O-N 3.09Å; E711-E714 PolarHBondContact O-N 3.13Å; E714-K716 VanDerWaalsContact C-N 3.34Å; E714-K716 PolarHBondContact O-N 3.12Å; E714-K717 PolarHBondContact O-N 2.88Å; E714-R718 PolarHBondContact O-N 2.94Å
715E73.4Confident76.8Confident109 Ų109106.1 Ų106.151%0.50950%0.499SS..Hα-helixtrans-67.5-36.8-179.3-160.670.8171.200111.7E711 R718 T719E711-E715 PolarHBondContact O-N 2.8Å; E711-E715 VanDerWaalsContact O-N 3.15Å; E715-R718 PolarHBondContact O-N 2.87Å; E715-R718 IonicContact OE2-NH1 3.53Å; E715-R718 PolarHBondContact OE2-NH1 2.74Å; E715-T719 PolarHBondContact O-N 2.89Å; E715-T719 PolarHBondContact O-OG1 3.06Å
716K76.4Confident77Confident141 Ų141108.3 Ų108.361%0.61350%0.504SS*.Hα-helixtrans-61.4-45172.8-168.1178.3-178.9179.50111.7L712 K713 E714 R718 T719 E720L712-K716 WeakPolarHBondContact O-CB 3.49Å; L712-K716 PolarHBondContact O-N 3.29Å; K713-K716 PolarHBondContact O-N 2.68Å; E714-K716 VanDerWaalsContact C-N 3.34Å; E714-K716 PolarHBondContact O-N 3.12Å; K716-R718 PolarHBondContact O-N 3.2Å; K716-T719 PolarHBondContact O-N 3.2Å; K716-E720 PolarHBondContact O-N 3.41Å
717K79.5Confident77.1Confident143 Ų143102.3 Ų102.362%0.62248%0.476SS*.Hα-helixtrans-62.9-38.8178.4-170-179.9-179.1-177.70112.4K713 E714 T721K713-K717 PolarHBondContact O-N 3.24Å; K713-K717 VanDerWaalsContact O-N 3.09Å; E714-K717 PolarHBondContact O-N 2.88Å; K717-T721 WeakPolarHBondContact O-CB 3.41Å; K717-T721 PolarHBondContact O-N 2.81Å; K717-T721 PolarHBondContact O-OG1 3.11Å
718R77.1Confident77.2Confident150 Ų15097.4 Ų97.457%0.56646%0.455SS*.Hα-helixtrans-62.7-44.8173.8-78.4179.7178.9155.93111.8E714 E715 K716 T721 L722E714-R718 PolarHBondContact O-N 2.94Å; E715-R718 PolarHBondContact O-N 2.87Å; E715-R718 IonicContact OE2-NH1 3.53Å; E715-R718 PolarHBondContact OE2-NH1 2.74Å; K716-R718 PolarHBondContact O-N 3.2Å; R718-T721 PolarHBondContact O-N 2.91Å; R718-L722 PolarHBondContact O-N 2.7Å
719T75.6Confident77.8Confident73 Ų7397.3 Ų97.345%0.44846%0.459SS..Hα-helixtrans-62.9-44.3179.4-51.60000111.4E715 K716 T721 L722 L723E715-T719 PolarHBondContact O-N 2.89Å; E715-T719 PolarHBondContact O-OG1 3.06Å; K716-T719 PolarHBondContact O-N 3.2Å; T719-T721 PolarHBondContact O-N 3.38Å; T719-L722 WeakPolarHBondContact O-CB 3.49Å; T719-L722 PolarHBondContact O-N 3.4Å; T719-L723 HydrophobicContact CG2-CD1 4.47Å; T719-L723 PolarHBondContact O-N 3.45Å
720E79Confident78.2Confident71 Ų7197.1 Ų97.133%0.33246%0.457SS..Hα-helixtrans-58.1-46.5174-108.8173.4-166.300112.5K716 L722 L723 H724 M736K716-E720 PolarHBondContact O-N 3.41Å; E720-L722 VanDerWaalsContact C-N 3.31Å; E720-L722 PolarHBondContact O-N 3.26Å; E720-L723 PolarHBondContact O-N 2.8Å; E720-H724 PolarHBondContact O-CD2 2.76Å; E720-H724 PolarHBondContact O-N 3.16Å; E720-M736 HydrophobicContact CG-CE 3.38Å; E720-M736 HydrophobicContact CG-SD 3.4Å; E720-M736 WeakPolarHBondContact CG-SD 3.12Å; E720-M736 WeakPolarHBondContact OE1-CE 3.41Å
721T77.4Confident78.2Confident64 Ų6492 Ų9239%0.39343%0.433SS..Hα-helixtrans-64-38.6-178.8-530000111.6K717 R718 T719 R725K717-T721 WeakPolarHBondContact O-CB 3.41Å; K717-T721 PolarHBondContact O-N 2.81Å; K717-T721 PolarHBondContact O-OG1 3.11Å; R718-T721 PolarHBondContact O-N 2.91Å; T719-T721 PolarHBondContact O-N 3.38Å; T721-R725 PolarHBondContact O-N 3Å
722L76.1Confident78.4Confident71 Ų7187.3 Ų87.337%0.37241%0.412SS..Hα-helixtrans-63.5-45.6174.2-103.1150.6000111.9R718 T719 E720 R725 M726 L946R718-L722 PolarHBondContact O-N 2.7Å; T719-L722 WeakPolarHBondContact O-CB 3.49Å; T719-L722 PolarHBondContact O-N 3.4Å; E720-L722 VanDerWaalsContact C-N 3.31Å; E720-L722 PolarHBondContact O-N 3.26Å; L722-R725 PolarHBondContact O-N 3.32Å; L722-M726 HydrophobicContact CD2-CE 4.18Å; L722-M726 PolarHBondContact O-N 2.95Å; L722-L946 HydrophobicContact CD1-CD2 3.94Å; L722-L946 HydrophobicContact CD2-CD2 3.67Å; L722-L946 HydrophobicContact CG-CD2 3.67Å
723L76Confident78.7Confident48 Ų4883 Ų8325%0.25139%0.394SS..Hα-helixtrans-62.5-45.3-179.9-119.2113.1000111.9T719 E720 R725 M726 L727 A732 L735 M736T719-L723 HydrophobicContact CG2-CD1 4.47Å; T719-L723 PolarHBondContact O-N 3.45Å; E720-L723 PolarHBondContact O-N 2.8Å; L723-R725 PolarHBondContact O-N 3.26Å; L723-M726 PolarHBondContact O-N 3.35Å; L723-M726 VanDerWaalsContact O-N 3.12Å; L723-L727 HydrophobicContact CD2-CD1 4.49Å; L723-L727 PolarHBondContact O-N 3.38Å; L723-A732 HydrophobicContact CB-CB 4.33Å; L723-A732 HydrophobicContact CD2-CB 3.78Å; L723-L735 HydrophobicContact CD2-CB 4.31Å; L723-M736 HydrophobicContact CD2-CG 4.22Å
724H76.3Confident78.9Confident70 Ų7079.4 Ų79.432%0.32438%0.38SS..Hα-helixtrans-65-18.3178.1-75.4-50.8000114.3E720E720-H724 PolarHBondContact O-CD2 2.76Å; E720-H724 PolarHBondContact O-N 3.16Å
725R74.1Confident78.8Confident113 Ų11376.3 Ų76.343%0.42637%0.367SS..Hα-helixtrans-86-21.6174.4-78.9-173.2170.5-172.61.1113.4T721 L722 L723 E943T721-R725 PolarHBondContact O-N 3Å; L722-R725 PolarHBondContact O-N 3.32Å; L723-R725 PolarHBondContact O-N 3.26Å; R725-E943 IonicContact CZ-OE2 3.71Å; R725-E943 IonicContact NE-OE2 2.7Å; R725-E943 IonicContact NH2-OE2 3.83Å; R725-E943 PolarHBondContact NH2-OE2 2.78Å
726M75.1Confident79Confident134 Ų13475 Ų7566%0.6636%0.362SS*.Hα-helixtrans-99.4-23.2179.4-62.1-149.5-165.800113.6L722 L723L722-M726 HydrophobicContact CD2-CE 4.18Å; L722-M726 PolarHBondContact O-N 2.95Å; L723-M726 PolarHBondContact O-N 3.35Å; L723-M726 VanDerWaalsContact O-N 3.12Å
727L80.9Confident79.1Confident7 Ų774.5 Ų74.54%0.03736%0.362CS..SBendtrans-135.1153.1-174.3-68.4172.2000111.3L723 V731 A732 L735 P864L723-L727 HydrophobicContact CD2-CD1 4.49Å; L723-L727 PolarHBondContact O-N 3.38Å; L727-V731 HydrophobicContact CB-CG1 4.4Å; L727-V731 HydrophobicContact CD1-CG1 4.37Å; L727-V731 HydrophobicContact CD2-CG1 4.36Å; L727-A732 HydrophobicContact CB-CB 4.3Å; L727-L735 HydrophobicContact CD1-CD1 3.33Å; L727-P864 HydrophobicContact CD1-CB 4.2Å; L727-P864 HydrophobicContact CD1-CG 4.04Å
728P82.5Confident78.8Confident11 Ų1171.1 Ų71.17%0.07137%0.368CS..  trans-56143.1171.3-12.821.3000110.9V730 V731 A732 Y792 P808 Y866P728-V730 PolarHBondContact O-N 3.44Å; P728-V730 VanDerWaalsContact O-N 3.12Å; P728-V731 HydrophobicContact CB-CB 4.35Å; P728-V731 HydrophobicContact CB-CG2 4.11Å; P728-V731 HydrophobicContact CG-CB 4.29Å; P728-V731 HydrophobicContact CG-CG2 3.94Å; P728-V731 WeakPolarHBondContact O-CA 3.43Å; P728-V731 WeakPolarHBondContact O-CB 3.37Å; P728-V731 PolarHBondContact O-N 3.02Å; P728-A732 PolarHBondContact O-N 3.27Å; P728-Y792 HydrophobicContact CB-CD2 4.47Å; P728-Y792 HydrophobicContact CB-CE2 4.17Å; P728-Y792 HydrophobicContact CG-CD2 4.07Å; P728-Y792 HydrophobicContact CG-CE1 4.48Å; P728-Y792 HydrophobicContact CG-CE2 3.51Å; P728-P808 HydrophobicContact CB-CG 3.67Å; P728-P808 HydrophobicContact CG-CG 4.14Å; P728-Y866 HydrophobicContact CG-CD1 3.67Å; P728-Y866 HydrophobicContact CG-CD2 4.42Å; P728-Y866 HydrophobicContact CG-CE1 4.09Å; P728-Y866 HydrophobicContact CG-CG 3.85Å
729K83.4Confident78.7Confident155 Ų15569.9 Ų69.967%0.67437%0.366SS*.Hα-helixtrans-53.8-39.7-174.5-66.4-172.1176.4178.50114V731 A732 A733K729-V731 VanDerWaalsContact C-N 3.34Å; K729-A732 PolarHBondContact O-N 3.37Å; K729-A733 WeakPolarHBondContact O-CB 3.39Å; K729-A733 PolarHBondContact O-N 3.02Å
730V83.9Confident78.5Confident72 Ų7272.9 Ų72.944%0.43638%0.379SS..Hα-helixtrans-63.6-42.8179.6-172.20000110.9P728 Q734 I809P728-V730 PolarHBondContact O-N 3.44Å; P728-V730 VanDerWaalsContact O-N 3.12Å; V730-Q734 PolarHBondContact O-N 3.29Å; V730-I809 HydrophobicContact CG2-CD1 4.42Å; V730-I809 HydrophobicContact CG2-CG1 4.38Å
731V83.3Confident78.4Confident5 Ų570.5 Ų70.53%0.0337%0.37CS..Hα-helixtrans-70.3-44.1178.9175.10000111L727 P728 K729 A733 Q734 L735 V741 V858 Y866L727-V731 HydrophobicContact CB-CG1 4.4Å; L727-V731 HydrophobicContact CD1-CG1 4.37Å; L727-V731 HydrophobicContact CD2-CG1 4.36Å; P728-V731 HydrophobicContact CB-CB 4.35Å; P728-V731 HydrophobicContact CB-CG2 4.11Å; P728-V731 HydrophobicContact CG-CB 4.29Å; P728-V731 HydrophobicContact CG-CG2 3.94Å; P728-V731 WeakPolarHBondContact O-CA 3.43Å; P728-V731 WeakPolarHBondContact O-CB 3.37Å; P728-V731 PolarHBondContact O-N 3.02Å; K729-V731 VanDerWaalsContact C-N 3.34Å; V731-A733 VanDerWaalsContact C-N 3.34Å; V731-A733 PolarHBondContact O-N 2.65Å; V731-Q734 PolarHBondContact O-N 3.39Å; V731-L735 HydrophobicContact CG1-CD1 4.26Å; V731-L735 PolarHBondContact O-N 3.35Å; V731-L735 VanDerWaalsContact O-N 3.12Å; V731-V741 HydrophobicContact CG1-CG1 4.11Å; V731-V741 HydrophobicContact CG1-CG2 3.9Å; V731-V741 HydrophobicContact CG2-CG1 4.3Å; V731-V858 HydrophobicContact CG1-CG2 3.29Å; V731-Y866 HydrophobicContact CG1-CD2 4.48Å; V731-Y866 HydrophobicContact CG2-CD2 3.92Å; V731-Y866 HydrophobicContact CG2-CE2 3.81Å
732A83.5Confident78.5Confident0 Ų073.1 Ų73.10%039%0.385CS..Hα-helixtrans-60.9-41.4177.400000112.3L723 L727 P728 K729 Q734 L735 M736L723-A732 HydrophobicContact CB-CB 4.33Å; L723-A732 HydrophobicContact CD2-CB 3.78Å; L727-A732 HydrophobicContact CB-CB 4.3Å; P728-A732 PolarHBondContact O-N 3.27Å; K729-A732 PolarHBondContact O-N 3.37Å; A732-Q734 PolarHBondContact O-N 3.43Å; A732-L735 PolarHBondContact O-N 2.9Å; A732-M736 WeakPolarHBondContact O-CG 3.26Å; A732-M736 PolarHBondContact O-N 3.34Å
733A81.8Confident78.9Confident38 Ų3874.3 Ų74.331%0.31440%0.398SS..Hα-helixtrans-64.8-37.5178.200000112.7K729 V731 Q737K729-A733 WeakPolarHBondContact O-CB 3.39Å; K729-A733 PolarHBondContact O-N 3.02Å; V731-A733 VanDerWaalsContact C-N 3.34Å; V731-A733 PolarHBondContact O-N 2.65Å; A733-Q737 WeakPolarHBondContact O-CG 3.47Å; A733-Q737 PolarHBondContact O-N 2.66Å
734Q81.8Confident79.5Confident72 Ų7276.8 Ų76.834%0.33641%0.408SS..Hα-helixtrans-64.7-46.2174.5-73.9178.8-1000111.4V730 V731 A732 M736 Q737 G738 K739 V741V730-Q734 PolarHBondContact O-N 3.29Å; V731-Q734 PolarHBondContact O-N 3.39Å; A732-Q734 PolarHBondContact O-N 3.43Å; Q734-M736 PolarHBondContact O-N 3.07Å; Q734-Q737 PolarHBondContact O-N 3.26Å; Q734-Q737 VanDerWaalsContact O-N 3.1Å; Q734-G738 PolarHBondContact O-N 3.29Å; Q734-K739 HydrophobicContact CB-CB 4.49Å; Q734-K739 PolarHBondContact O-N 3.08Å; Q734-V741 HydrophobicContact CB-CG2 4.12Å
735L77.9Confident80.2Confident56 Ų5678.1 Ų78.129%0.29342%0.421SS..Hα-helixtrans-62.8-40.1178-74.5165.2000112.6L723 L727 V731 A732 Q737 G738 V741 P864L723-L735 HydrophobicContact CD2-CB 4.31Å; L727-L735 HydrophobicContact CD1-CD1 3.33Å; V731-L735 HydrophobicContact CG1-CD1 4.26Å; V731-L735 PolarHBondContact O-N 3.35Å; V731-L735 VanDerWaalsContact O-N 3.12Å; A732-L735 PolarHBondContact O-N 2.9Å; L735-Q737 PolarHBondContact O-N 2.66Å; L735-G738 PolarHBondContact O-N 3.18Å; L735-V741 HydrophobicContact CD1-CG2 4.43Å; L735-V741 HydrophobicContact CD2-CG2 4.21Å; L735-V741 HydrophobicContact CG-CG2 3.89Å; L735-P864 HydrophobicContact CD1-CB 4.43Å; L735-P864 HydrophobicContact CD1-CG 4.41Å
736M77.5Confident81.1Confident81 Ų8172.9 Ų72.940%0.39940%0.401SS..Hα-helixtrans-63.8-25.5174.9-80.3164.83400113.8E720 L723 A732 Q734E720-M736 HydrophobicContact CG-CE 3.38Å; E720-M736 HydrophobicContact CG-SD 3.4Å; E720-M736 WeakPolarHBondContact CG-SD 3.12Å; E720-M736 WeakPolarHBondContact OE1-CE 3.41Å; L723-M736 HydrophobicContact CD2-CG 4.22Å; A732-M736 WeakPolarHBondContact O-CG 3.26Å; A732-M736 PolarHBondContact O-N 3.34Å; Q734-M736 PolarHBondContact O-N 3.07Å
737Q78Confident81.9Confident131 Ų13171.9 Ų71.961%0.61240%0.398SS*.THydrogen-bonded Turntrans-84.42.2173.3-70.2177.512.400112.7A733 Q734 L735 K739A733-Q737 WeakPolarHBondContact O-CG 3.47Å; A733-Q737 PolarHBondContact O-N 2.66Å; Q734-Q737 PolarHBondContact O-N 3.26Å; Q734-Q737 VanDerWaalsContact O-N 3.1Å; L735-Q737 PolarHBondContact O-N 2.66Å; Q737-K739 HydrophobicContact CB-CD 4.45Å; Q737-K739 HydrophobicContact CB-CG 4.3Å; Q737-K739 PolarHBondContact O-N 3.2Å
738G73.6Confident82.5Confident72 Ų7273.8 Ų73.874%0.74241%0.413SS*.THydrogen-bonded Turntrans7019.4-174.600000113.5Q734 L735Q734-G738 PolarHBondContact O-N 3.29Å; L735-G738 PolarHBondContact O-N 3.18Å
739K74.4Confident83.1Confident123 Ų12373.3 Ų73.354%0.53541%0.409SS..  trans-93.2137.7177.4-67.6179.9178.3168.20110.5Q734 Q737Q734-K739 HydrophobicContact CB-CB 4.49Å; Q734-K739 PolarHBondContact O-N 3.08Å; Q737-K739 HydrophobicContact CB-CD 4.45Å; Q737-K739 HydrophobicContact CB-CG 4.3Å; Q737-K739 PolarHBondContact O-N 3.2Å
740D72.3Confident83.8Confident136 Ų13665.9 Ų65.973%0.72738%0.377SS*.  trans-67.1141.2170.5-80.9-37.6000111.1
741V75.7Confident84.4Confident22 Ų2262.5 Ų62.513%0.13336%0.356CS..  trans-93104.6178.6-176.60000108.2V731 Q734 L735 V858V731-V741 HydrophobicContact CG1-CG1 4.11Å; V731-V741 HydrophobicContact CG1-CG2 3.9Å; V731-V741 HydrophobicContact CG2-CG1 4.3Å; Q734-V741 HydrophobicContact CB-CG2 4.12Å; L735-V741 HydrophobicContact CD1-CG2 4.43Å; L735-V741 HydrophobicContact CD2-CG2 4.21Å; L735-V741 HydrophobicContact CG-CG2 3.89Å; V741-V858 HydrophobicContact CB-CB 4.29Å; V741-V858 HydrophobicContact CB-CG2 3.9Å; V741-V858 HydrophobicContact CG1-CG2 3.83Å; V741-V858 HydrophobicContact CG2-CG2 4.15Å
742V79.9Confident85Confident118 Ų11862.2 Ų62.272%0.71536%0.355SS*.  trans-70.6133.9-179.6-168.80000109.6E744V742-E744 PolarHBondContact O-N 3.36Å
743P84.7Confident85.5Confident97 Ų9763.3 Ų63.363%0.6336%0.36SS*.  trans-59.1135.7172.5-20.131000111A856P743-A856 WeakPolarHBondContact CA-O 3.32Å
744E89.5Confident86Confident99 Ų9961.7 Ų61.746%0.46335%0.346SS..EExtended strand (participates in β ladder)trans-120.2138.7-175.9-156.9178.7-158.800110.2V742 Y746 A855 A856V742-E744 PolarHBondContact O-N 3.36Å; E744-Y746 HydrophobicContact CB-CE2 3.92Å; E744-Y746 HydrophobicContact CG-CE2 4.43Å; E744-Y746 WeakPolarHBondContact O-CD2 3.4Å; E744-Y746 WeakPolarHBondContact O-CE2 3.49Å; E744-Y746 VanDerWaalsContact OE2-CZ 3.29Å; E744-Y746 PolarHBondContact OE2-OH 2.95Å; E744-A855 CarbonylContact O-C 2.96Å; E744-A855 WeakPolarHBondContact O-CA 3.45Å; E744-A856 PolarHBondContact N-O 3.26Å; E744-A856 PolarHBondContact O-N 3.06Å
745T91Very high86.5Confident98 Ų9859.7 Ų59.760%0.60134%0.338SS*.EExtended strand (participates in β ladder)trans-91.7137.8173.246.10000110.5R810 A855T745-R810 PolarHBondContact O-NH2 3.38Å; T745-A855 HydrophobicContact CG2-CB 4.14Å
746Y93.3Very high87Confident4 Ų457.4 Ų57.42%0.01633%0.326CS..EExtended strand (participates in β ladder)trans-119.3125.4178.1-61.6-93.4000108.9E744 V749 L807 P808 R810 P853 C854 A856 Y866E744-Y746 HydrophobicContact CB-CE2 3.92Å; E744-Y746 HydrophobicContact CG-CE2 4.43Å; E744-Y746 WeakPolarHBondContact O-CD2 3.4Å; E744-Y746 WeakPolarHBondContact O-CE2 3.49Å; E744-Y746 VanDerWaalsContact OE2-CZ 3.29Å; E744-Y746 PolarHBondContact OE2-OH 2.95Å; Y746-V749 HydrophobicContact CG-CG1 4.3Å; Y746-L807 HydrophobicContact CD1-CB 3.78Å; Y746-L807 HydrophobicContact CD2-CB 4.12Å; Y746-L807 HydrophobicContact CD2-CD2 4.16Å; Y746-L807 HydrophobicContact CE1-CB 3.7Å; Y746-L807 HydrophobicContact CE2-CB 4.03Å; Y746-L807 HydrophobicContact CG-CB 4.01Å; Y746-L807 HydrophobicContact CG-CD2 4.41Å; Y746-P808 WeakPolarHBondContact CE1-O 3.47Å; Y746-P808 PolarHBondContact OH-O 3.49Å; Y746-R810 HydrophobicContact CD1-CG 3.89Å; Y746-R810 HydrophobicContact CE1-CG 4.08Å; Y746-P853 CarbonylContact O-C 3.48Å; Y746-P853 WeakPolarHBondContact O-CA 3.17Å; Y746-C854 PolarHBondContact N-O 2.99Å; Y746-C854 PolarHBondContact O-N 3.35Å; Y746-A856 HydrophobicContact CD2-CB 4.23Å; Y746-A856 HydrophobicContact CE2-CB 3.83Å; Y746-Y866 PolarHBondContact OH-OH 3.28Å
747D91.1Very high87.4Confident112 Ų11255.3 Ų55.360%0.59932%0.317SS*.EExtended strand (participates in β ladder)trans-74.2-30.3-171.4-49-59.5000112.6R810 P853D747-R810 IonicContact OD2-CZ 3.57Å; D747-R810 IonicContact OD2-NH1 2.76Å; D747-R810 PolarHBondContact OD2-NH1 3.26Å; D747-R810 IonicContact OD2-NH2 3.42Å; D747-R810 PolarHBondContact OD2-NH2 3.42Å; D747-P853 WeakPolarHBondContact O-CA 3.48Å; D747-P853 WeakPolarHBondContact O-CB 3.23Å
748S92.8Very high87.7Confident48 Ų4851 Ų5134%0.33631%0.307SS..EExtended strand (participates in β ladder)trans-149.9118.5179.9-1750000109.8H815S748-H815 PolarHBondContact O-CD2 3.37Å; S748-H815 PolarHBondContact OG-CE1 3.11Å; S748-H815 PolarHBondContact OG-NE2 3.17Å
749V96.1Very high88.2Confident0 Ų048.7 Ų48.70%028%0.277CS..EExtended strand (participates in β ladder)trans-136.4153.2171.3-630000108.9Y746 I751 V804 S805 L807 T851 G852 C854Y746-V749 HydrophobicContact CG-CG1 4.3Å; V749-I751 HydrophobicContact CG2-CG1 4.32Å; V749-V804 HydrophobicContact CB-CG2 4.05Å; V749-V804 HydrophobicContact CG2-CG2 4.3Å; V749-S805 WeakPolarHBondContact CB-O 3.28Å; V749-L807 HydrophobicContact CB-CD2 4.35Å; V749-L807 HydrophobicContact CG1-CB 4.25Å; V749-L807 HydrophobicContact CG1-CD2 3.75Å; V749-L807 HydrophobicContact CG1-CG 4.23Å; V749-L807 HydrophobicContact CG2-CD2 4.39Å; V749-T851 VanDerWaalsContact O-CA 3.27Å; V749-T851 WeakPolarHBondContact O-CA 3.33Å; V749-G852 WeakPolarHBondContact CG2-O 3.12Å; V749-G852 PolarHBondContact N-O 3.31Å; V749-G852 PolarHBondContact O-N 3.4Å; V749-C854 HydrophobicContact CG2-CB 4.04Å; V749-C854 VanDerWaalsContact CG2-SG 3.57Å
750T97.1Very high88.6Confident0 Ų048.2 Ų48.20%029%0.285CS..EExtended strand (participates in β ladder)trans-109.2124.4171.7-56.10000109.3V804 S805 H815 A816 I819 H850 T851 T894T750-V804 WeakPolarHBondContact O-CA 3.33Å; T750-V804 WeakPolarHBondContact O-CG2 3.24Å; T750-S805 PolarHBondContact N-O 3.01Å; T750-S805 PolarHBondContact O-N 2.69Å; T750-S805 VanDerWaalsContact O-N 3.11Å; T750-H815 PolarHBondContact OG1-ND1 3.41Å; T750-A816 VanDerWaalsContact OG1-CA 3.27Å; T750-A816 WeakPolarHBondContact OG1-CA 3.41Å; T750-A816 PolarHBondContact OG1-N 2.87Å; T750-I819 HydrophobicContact CG2-CB 3.83Å; T750-I819 HydrophobicContact CG2-CG1 4.11Å; T750-I819 HydrophobicContact CG2-CG2 3.73Å; T750-I819 WeakPolarHBondContact O-CG1 3.48Å; T750-H850 WeakPolarHBondContact CA-O 3.3Å; T750-T851 PolarHBondContact OG1-OG1 2.69Å; T750-T894 HydrophobicContact CG2-CG2 4.38Å
751I96.5Very high89.1Confident0 Ų044.7 Ų44.70%027%0.274CS..EExtended strand (participates in β ladder)trans-105.6132180-59.2-179.3000108.8V749 F753 M802 V804 I849 H850 L868 T872 V873 A876V749-I751 HydrophobicContact CG2-CG1 4.32Å; I751-F753 HydrophobicContact CG2-CD2 3.86Å; I751-F753 HydrophobicContact CG2-CE2 4.08Å; I751-M802 HydrophobicContact CD1-CE 4.26Å; I751-M802 HydrophobicContact CG2-CE 3.79Å; I751-M802 HydrophobicContact CG2-CG 4.27Å; I751-V804 HydrophobicContact CG1-CB 4.47Å; I751-V804 HydrophobicContact CG1-CG2 3.88Å; I751-I849 VanDerWaalsContact O-CA 3.27Å; I751-I849 WeakPolarHBondContact O-CA 3.46Å; I751-H850 PolarHBondContact N-O 3.3Å; I751-H850 PolarHBondContact O-N 2.84Å; I751-H850 VanDerWaalsContact O-N 3.1Å; I751-L868 HydrophobicContact CD1-CD2 4.16Å; I751-T872 HydrophobicContact CD1-CG2 3.82Å; I751-T872 HydrophobicContact CG1-CG2 4.22Å; I751-V873 HydrophobicContact CD1-CB 4.26Å; I751-V873 HydrophobicContact CD1-CG2 3.68Å; I751-A876 HydrophobicContact CB-CB 3.83Å; I751-A876 HydrophobicContact CG2-CB 3.69Å
752Y96.5Very high89.4Confident0 Ų044 Ų440%027%0.27CS..EExtended strand (participates in β ladder)trans-101.2131.9169172.4-81.6000109.9S754 Y801 M802 V803 M822 A823 L826 L845 I847 I849Y752-S754 WeakPolarHBondContact CE1-OG 3.36Å; Y752-S754 VanDerWaalsContact OH-CB 3.28Å; Y752-S754 WeakPolarHBondContact OH-CB 3.2Å; Y752-S754 PolarHBondContact OH-OG 3.1Å; Y752-Y801 HydrophobicContact CE1-CD1 4.3Å; Y752-M802 WeakPolarHBondContact O-CA 3.4Å; Y752-V803 WeakPolarHBondContact CB-O 3.42Å; Y752-V803 HydrophobicContact CD1-CB 4.24Å; Y752-V803 HydrophobicContact CD1-CG2 4.28Å; Y752-V803 PolarHBondContact N-O 3.17Å; Y752-V803 PolarHBondContact O-N 3.03Å; Y752-V803 VanDerWaalsContact O-N 3.08Å; Y752-M822 HydrophobicContact CD1-CE 4.16Å; Y752-M822 HydrophobicContact CD2-CE 3.36Å; Y752-M822 HydrophobicContact CE2-CE 3.85Å; Y752-M822 HydrophobicContact CG-CE 3.53Å; Y752-A823 HydrophobicContact CD2-CB 3.89Å; Y752-A823 HydrophobicContact CE2-CB 3.74Å; Y752-L826 HydrophobicContact CE1-CD1 4.37Å; Y752-L826 HydrophobicContact CE2-CD1 4.22Å; Y752-L845 WeakPolarHBondContact OH-CD2 3.36Å; Y752-I847 HydrophobicContact CD2-CG2 3.72Å; Y752-I847 HydrophobicContact CE2-CB 4.35Å; Y752-I847 HydrophobicContact CE2-CD1 3.98Å; Y752-I847 HydrophobicContact CE2-CG1 4.13Å; Y752-I847 HydrophobicContact CE2-CG2 3.31Å; Y752-I849 HydrophobicContact CD2-CG2 3.93Å; Y752-I849 HydrophobicContact CG-CG2 4.36Å
753F94.5Very high89.5Confident23 Ų2340.4 Ų40.410%0.10125%0.25CC..EExtended strand (participates in β ladder)trans-124135.9166.9-103.2-88000109.4I751 A800 M802 I847 G848 V873 A876 E880I751-F753 HydrophobicContact CG2-CD2 3.86Å; I751-F753 HydrophobicContact CG2-CE2 4.08Å; F753-A800 HydrophobicContact CE1-CB 4.43Å; F753-M802 HydrophobicContact CD2-CG 4.19Å; F753-M802 HydrophobicContact CE1-CB 4.37Å; F753-M802 HydrophobicContact CE2-CB 4.32Å; F753-M802 HydrophobicContact CE2-CE 4.03Å; F753-M802 HydrophobicContact CE2-CG 3.72Å; F753-M802 HydrophobicContact CE2-SD 3.57Å; F753-M802 VanDerWaalsContact CE2-SD 3.57Å; F753-M802 HydrophobicContact CZ-CB 4.15Å; F753-M802 HydrophobicContact CZ-CG 3.96Å; F753-M802 HydrophobicContact CZ-SD 3.59Å; F753-M802 VanDerWaalsContact CZ-SD 3.59Å; F753-I847 WeakPolarHBondContact O-CA 3.05Å; F753-G848 PolarHBondContact N-O 2.67Å; F753-G848 PolarHBondContact O-N 3.49Å; F753-V873 HydrophobicContact CE2-CG1 4.07Å; F753-V873 HydrophobicContact CZ-CG1 4.46Å; F753-A876 HydrophobicContact CD2-CB 3.93Å; F753-E880 HydrophobicContact CB-CB 3.81Å; F753-E880 HydrophobicContact CB-CG 4.2Å
754S92.6Very high89.5Confident3 Ų339.9 Ų39.92%0.02125%0.254CS..EExtended strand (participates in β ladder)trans-133.1145.8165.467.90000113.7Y752 A800 Y801 R846Y752-S754 WeakPolarHBondContact CE1-OG 3.36Å; Y752-S754 VanDerWaalsContact OH-CB 3.28Å; Y752-S754 WeakPolarHBondContact OH-CB 3.2Å; Y752-S754 PolarHBondContact OH-OG 3.1Å; S754-A800 CarbonylContact O-C 3.56Å; S754-A800 VanDerWaalsContact O-CA 3.27Å; S754-A800 WeakPolarHBondContact O-CA 3.49Å; S754-Y801 PolarHBondContact N-O 3.45Å; S754-Y801 PolarHBondContact O-N 3.37Å; S754-Y801 WeakPolarHBondContact OG-CB 2.97Å; S754-R846 WeakPolarHBondContact CA-O 3.4Å; S754-R846 WeakPolarHBondContact CB-O 3.22Å
755D91.4Very high89.4Confident31 Ų3141.7 Ų41.717%0.16626%0.263CS..EExtended strand (participates in β ladder)trans-121.3151.2175.8176.351.1000110.2D799 R846 E880D755-D799 VanDerWaalsContact OD1-OD2 3.11Å; D755-R846 HydrophobicContact CB-CB 4.48Å; D755-R846 PolarHBondContact N-O 2.72Å; D755-R846 PolarHBondContact O-N 2.94Å; D755-R846 IonicContact OD2-CZ 2.84Å; D755-R846 IonicContact OD2-NH2 3.94Å; D755-R846 PolarHBondContact OD2-NH2 3.29Å; D755-E880 VanDerWaalsContact CB-CD 3.43Å; D755-E880 HydrophobicContact CB-CG 4.06Å; D755-E880 WeakPolarHBondContact CB-OE1 3.46Å
756I88.3Confident89.1Confident8 Ų837.7 Ų37.74%0.04124%0.238CC..EExtended strand (participates in β ladder)trans-95111.2174.8-59.1170.7000108G758 F759 F774 L775 L778 D799 L845I756-G758 PolarHBondContact O-N 3.44Å; I756-G758 VanDerWaalsContact O-N 3.16Å; I756-F759 HydrophobicContact CB-CB 4Å; I756-F759 HydrophobicContact CB-CD2 4.38Å; I756-F759 HydrophobicContact CD1-CD2 4.1Å; I756-F759 HydrophobicContact CG2-CB 4.15Å; I756-F759 HydrophobicContact CG2-CD2 4.41Å; I756-F759 WeakPolarHBondContact O-CB 3.4Å; I756-F759 PolarHBondContact O-N 3.1Å; I756-F759 VanDerWaalsContact O-N 3.07Å; I756-F774 HydrophobicContact CD1-CE1 4.09Å; I756-F774 HydrophobicContact CD1-CZ 3.97Å; I756-L775 HydrophobicContact CD1-CD2 4.17Å; I756-L778 HydrophobicContact CD1-CD2 3.44Å; I756-L778 VanDerWaalsContact CD1-CD2 3.44Å; I756-L778 HydrophobicContact CG1-CD2 4.06Å; I756-D799 HydrophobicContact CD1-CB 4.21Å; I756-L845 HydrophobicContact CG1-CD1 4.37Å
757V86.5Confident88.9Confident36 Ų3640.9 Ų40.922%0.21826%0.258CS..THydrogen-bonded Turntrans-64122.6-178.3-176.10000110L844 R846 P885V757-L844 HydrophobicContact CB-CB 3.84Å; V757-L844 HydrophobicContact CG2-CB 4.22Å; V757-L844 PolarHBondContact N-O 2.9Å; V757-R846 HydrophobicContact CG2-CB 3.93Å; V757-P885 HydrophobicContact CG1-CG 4.39Å; V757-P885 HydrophobicContact CG2-CB 4.26Å; V757-P885 HydrophobicContact CG2-CG 4.23Å
758G83.6Confident88.7Confident40 Ų4040.6 Ų40.641%0.41226%0.263SS..THydrogen-bonded Turntrans8311179.800000114.6I756 T760 A761 L762I756-G758 PolarHBondContact O-N 3.44Å; I756-G758 VanDerWaalsContact O-N 3.16Å; G758-T760 VanDerWaalsContact C-N 3.29Å; G758-T760 PolarHBondContact O-N 2.88Å; G758-A761 PolarHBondContact O-N 3.09Å; G758-A761 VanDerWaalsContact O-N 3.15Å; G758-L762 PolarHBondContact O-N 2.66Å
759F84.4Confident88.4Confident24 Ų2443.9 Ų43.911%0.10528%0.28CS..Hα-helixtrans-54.7-41.4179.8-177.9-101.2000113.5I756 A761 L762 S763 V771 F774 L775 D799I756-F759 HydrophobicContact CB-CB 4Å; I756-F759 HydrophobicContact CB-CD2 4.38Å; I756-F759 HydrophobicContact CD1-CD2 4.1Å; I756-F759 HydrophobicContact CG2-CB 4.15Å; I756-F759 HydrophobicContact CG2-CD2 4.41Å; I756-F759 WeakPolarHBondContact O-CB 3.4Å; I756-F759 PolarHBondContact O-N 3.1Å; I756-F759 VanDerWaalsContact O-N 3.07Å; F759-A761 VanDerWaalsContact C-N 3.3Å; F759-A761 PolarHBondContact O-N 3.31Å; F759-L762 WeakPolarHBondContact O-CB 3.4Å; F759-L762 PolarHBondContact O-N 2.7Å; F759-L762 VanDerWaalsContact O-N 3.14Å; F759-S763 WeakPolarHBondContact O-CB 3.36Å; F759-S763 PolarHBondContact O-N 3.36Å; F759-S763 PolarHBondContact O-OG 2.86Å; F759-V771 HydrophobicContact CE2-CG1 4.19Å; F759-V771 HydrophobicContact CZ-CG1 3.8Å; F759-F774 HydrophobicContact CD2-CE1 4.17Å; F759-F774 HydrophobicContact CE2-CD1 4.41Å; F759-F774 HydrophobicContact CE2-CE1 4.13Å; F759-L775 HydrophobicContact CE2-CD1 4.32Å; F759-L775 HydrophobicContact CE2-CD2 3.83Å; F759-L775 HydrophobicContact CE2-CG 4.15Å; F759-L775 HydrophobicContact CZ-CD1 4.02Å; F759-L775 HydrophobicContact CZ-CD2 4.24Å; F759-L775 HydrophobicContact CZ-CG 4.36Å; F759-D799 HydrophobicContact CB-CB 4.26Å; F759-D799 WeakPolarHBondContact CB-OD2 3.04Å; F759-D799 HydrophobicContact CD1-CB 3.55Å; F759-D799 VanDerWaalsContact CD1-OD2 3.26Å; F759-D799 WeakPolarHBondContact CD1-OD2 3.28Å; F759-D799 HydrophobicContact CD2-CB 3.8Å; F759-D799 HydrophobicContact CE1-CB 3.76Å; F759-D799 HydrophobicContact CE2-CB 3.99Å; F759-D799 HydrophobicContact CG-CB 3.58Å; F759-D799 WeakPolarHBondContact CG-OD2 3.27Å; F759-D799 HydrophobicContact CZ-CB 3.98Å
760T82.7Confident88.1Confident113 Ų11347.4 Ų47.469%0.69330%0.297SS*.Hα-helixtrans-58.8-43179.8-34.40000111.4G758 S763 A764G758-T760 VanDerWaalsContact C-N 3.29Å; G758-T760 PolarHBondContact O-N 2.88Å; T760-S763 PolarHBondContact O-N 2.61Å; T760-S763 PolarHBondContact O-OG 2.85Å; T760-A764 PolarHBondContact O-N 2.78Å; T760-A764 VanDerWaalsContact O-N 3.12Å
761A83.3Confident87.6Confident62 Ų6248.3 Ų48.351%0.51230%0.302SS..Hα-helixtrans-67.7-43.6175.600000111.5G758 F759 S763 A764 E765G758-A761 PolarHBondContact O-N 3.09Å; G758-A761 VanDerWaalsContact O-N 3.15Å; F759-A761 VanDerWaalsContact C-N 3.3Å; F759-A761 PolarHBondContact O-N 3.31Å; A761-S763 VanDerWaalsContact C-N 3.29Å; A761-S763 PolarHBondContact O-N 3.15Å; A761-A764 PolarHBondContact O-N 3.2Å; A761-E765 PolarHBondContact O-N 3.34Å
762L82Confident87.2Confident9 Ų952.5 Ų52.55%0.04733%0.328CS..Hα-helixtrans-58.2-42.7176.2-165.294.3000111.8G758 F759 E765 S766 F774 M841G758-L762 PolarHBondContact O-N 2.66Å; F759-L762 WeakPolarHBondContact O-CB 3.4Å; F759-L762 PolarHBondContact O-N 2.7Å; F759-L762 VanDerWaalsContact O-N 3.14Å; L762-E765 PolarHBondContact O-N 2.77Å; L762-S766 VanDerWaalsContact O-CB 3.28Å; L762-S766 WeakPolarHBondContact O-CB 3.5Å; L762-S766 PolarHBondContact O-N 2.54Å; L762-S766 PolarHBondContact O-OG 3.08Å; L762-F774 HydrophobicContact CD2-CD1 3.71Å; L762-F774 HydrophobicContact CD2-CE1 3.49Å; L762-F774 VanDerWaalsContact CD2-CE1 3.49Å; L762-F774 HydrophobicContact CD2-CZ 4.28Å; L762-M841 HydrophobicContact CD1-CE 3.49Å; L762-M841 VanDerWaalsContact CD1-CE 3.49Å; L762-M841 HydrophobicContact CD1-SD 3.23Å; L762-M841 WeakPolarHBondContact CD1-SD 3.38Å
763S82.6Confident86.6Confident41 Ų4154.8 Ų54.829%0.28735%0.347SS..Hα-helixtrans-68.7-32.6-179.674.40000112.5F759 T760 A761 S766F759-S763 WeakPolarHBondContact O-CB 3.36Å; F759-S763 PolarHBondContact O-N 3.36Å; F759-S763 PolarHBondContact O-OG 2.86Å; T760-S763 PolarHBondContact O-N 2.61Å; T760-S763 PolarHBondContact O-OG 2.85Å; A761-S763 VanDerWaalsContact C-N 3.29Å; A761-S763 PolarHBondContact O-N 3.15Å; S763-S766 VanDerWaalsContact O-O 3.13Å
764A84.7Confident86.3Confident87 Ų8753.8 Ų53.872%0.71934%0.342SS*.Hα-helixtrans-71.4-30.6176.700000112.5T760 A761T760-A764 PolarHBondContact O-N 2.78Å; T760-A764 VanDerWaalsContact O-N 3.12Å; A761-A764 PolarHBondContact O-N 3.2Å
765E86Confident86.1Confident137 Ų13755 Ų5564%0.6435%0.348SS*.Hα-helixtrans-90.7-7178.3-67.6-176.6-170.200114.2A761 L762 K838A761-E765 PolarHBondContact O-N 3.34Å; L762-E765 PolarHBondContact O-N 2.77Å; E765-K838 IonicContact OE2-NZ 3.24Å; E765-K838 PolarHBondContact OE2-NZ 3.45Å
766S85.8Confident85.8Confident13 Ų1358.5 Ų58.59%0.09137%0.367CS..SBendtrans-112.8147.4-175.2-55.50000110.9L762 S763 H837L762-S766 VanDerWaalsContact O-CB 3.28Å; L762-S766 WeakPolarHBondContact O-CB 3.5Å; L762-S766 PolarHBondContact O-N 2.54Å; L762-S766 PolarHBondContact O-OG 3.08Å; S763-S766 VanDerWaalsContact O-O 3.13Å; S766-H837 PolarHBondContact OG-NE2 3.37Å
767T88.4Confident85.8Confident71 Ų7160.7 Ų60.744%0.43638%0.383SS..  trans-67.2151.3171.963.40000110.6V769 Q770 V771T767-V769 PolarHBondContact O-N 3.42Å; T767-V769 VanDerWaalsContact O-N 3.12Å; T767-Q770 WeakPolarHBondContact O-CB 3.11Å; T767-Q770 PolarHBondContact O-N 2.9Å; T767-Q770 WeakPolarHBondContact OG1-CB 3.42Å; T767-Q770 WeakPolarHBondContact OG1-CG 3.25Å; T767-Q770 PolarHBondContact OG1-N 3.39Å; T767-Q770 PolarHBondContact OG1-OE1 3.42Å; T767-V771 PolarHBondContact O-N 3.29Å
768P86Confident85.9Confident106 Ų10659 Ų5969%0.68837%0.373SS*.Hα-helixtrans-53.3-37.7179-27.834.5000113.4V771 V772P768-V771 PolarHBondContact O-N 2.82Å; P768-V772 VanDerWaalsContact O-CG2 3.31Å; P768-V772 WeakPolarHBondContact O-CG2 3.4Å; P768-V772 PolarHBondContact O-N 2.94Å
769V88Confident86.2Confident117 Ų11758.9 Ų58.971%0.70936%0.361SS*.Hα-helixtrans-66.9-39.9177.8-178.30000111.5T767 V772 A773T767-V769 PolarHBondContact O-N 3.42Å; T767-V769 VanDerWaalsContact O-N 3.12Å; V769-V772 PolarHBondContact O-N 3.02Å; V769-A773 WeakPolarHBondContact O-CB 3.39Å; V769-A773 PolarHBondContact O-N 3.41Å
770Q89.7Confident86.4Confident74 Ų7462.1 Ų62.135%0.34638%0.382SS..Hα-helixtrans-66-40.4175-74.6165-31.600111.8T767 V772 A773 F774 H837T767-Q770 WeakPolarHBondContact O-CB 3.11Å; T767-Q770 PolarHBondContact O-N 2.9Å; T767-Q770 WeakPolarHBondContact OG1-CB 3.42Å; T767-Q770 WeakPolarHBondContact OG1-CG 3.25Å; T767-Q770 PolarHBondContact OG1-N 3.39Å; T767-Q770 PolarHBondContact OG1-OE1 3.42Å; Q770-V772 VanDerWaalsContact C-N 3.35Å; Q770-A773 PolarHBondContact O-N 2.92Å; Q770-F774 WeakPolarHBondContact O-CB 3.48Å; Q770-F774 PolarHBondContact O-N 2.8Å; Q770-H837 HydrophobicContact CB-CB 4.41Å; Q770-H837 HydrophobicContact CG-CB 4.08Å
771V86.8Confident86.8Confident19 Ų1957.8 Ų57.812%0.11536%0.355CS..Hα-helixtrans-61.3-45175.21780000110.7F759 T767 P768 A773 F774 L775F759-V771 HydrophobicContact CE2-CG1 4.19Å; F759-V771 HydrophobicContact CZ-CG1 3.8Å; T767-V771 PolarHBondContact O-N 3.29Å; P768-V771 PolarHBondContact O-N 2.82Å; V771-A773 PolarHBondContact O-N 2.93Å; V771-F774 PolarHBondContact O-N 3.2Å; V771-L775 HydrophobicContact CG1-CD1 4.11Å; V771-L775 HydrophobicContact CG1-CG 4.5Å; V771-L775 WeakPolarHBondContact O-CG 3.31Å; V771-L775 PolarHBondContact O-N 2.68Å
772V86.6Confident87.2Confident89 Ų8954.9 Ų54.954%0.53933%0.331SS..Hα-helixtrans-61.8-44.1176.2171.80000111.2P768 V769 Q770 F774 L775 N776P768-V772 VanDerWaalsContact O-CG2 3.31Å; P768-V772 WeakPolarHBondContact O-CG2 3.4Å; P768-V772 PolarHBondContact O-N 2.94Å; V769-V772 PolarHBondContact O-N 3.02Å; Q770-V772 VanDerWaalsContact C-N 3.35Å; V772-F774 PolarHBondContact O-N 2.8Å; V772-L775 PolarHBondContact O-N 3.1Å; V772-N776 WeakPolarHBondContact O-CB 2.99Å; V772-N776 PolarHBondContact O-N 2.9Å
773A85.7Confident87.5Confident48 Ų4856.6 Ų56.640%0.39734%0.34SS..Hα-helixtrans-63.3-41.217800000112.6V769 Q770 V771 S777V769-A773 WeakPolarHBondContact O-CB 3.39Å; V769-A773 PolarHBondContact O-N 3.41Å; Q770-A773 PolarHBondContact O-N 2.92Å; V771-A773 PolarHBondContact O-N 2.93Å; A773-S777 PolarHBondContact O-N 3.46Å
774F87.5Confident87.9Confident1 Ų162.2 Ų62.20%0.00436%0.355CS..Hα-helixtrans-62.3-52.9175163.1-128.1000111.8I756 F759 L762 Q770 V771 V772 N776 S777 L778 F833 V835I756-F774 HydrophobicContact CD1-CE1 4.09Å; I756-F774 HydrophobicContact CD1-CZ 3.97Å; F759-F774 HydrophobicContact CD2-CE1 4.17Å; F759-F774 HydrophobicContact CE2-CD1 4.41Å; F759-F774 HydrophobicContact CE2-CE1 4.13Å; L762-F774 HydrophobicContact CD2-CD1 3.71Å; L762-F774 HydrophobicContact CD2-CE1 3.49Å; L762-F774 VanDerWaalsContact CD2-CE1 3.49Å; L762-F774 HydrophobicContact CD2-CZ 4.28Å; Q770-F774 WeakPolarHBondContact O-CB 3.48Å; Q770-F774 PolarHBondContact O-N 2.8Å; V771-F774 PolarHBondContact O-N 3.2Å; V772-F774 PolarHBondContact O-N 2.8Å; F774-N776 VanDerWaalsContact C-N 3.32Å; F774-N776 PolarHBondContact O-N 3.03Å; F774-S777 PolarHBondContact O-N 3.33Å; F774-S777 VanDerWaalsContact O-N 3.17Å; F774-L778 HydrophobicContact CE2-CB 4.37Å; F774-L778 HydrophobicContact CE2-CD2 4.46Å; F774-L778 HydrophobicContact CZ-CD2 4.38Å; F774-L778 PolarHBondContact O-N 2.68Å; F774-F833 AromaticContact CD2-CE1 3.95Å; F774-F833 HydrophobicContact CD2-CE1 3.95Å; F774-F833 HydrophobicContact CD2-CZ 4.27Å; F774-F833 AromaticContact CE2-CE1 3.68Å; F774-F833 HydrophobicContact CE2-CE1 3.68Å; F774-F833 HydrophobicContact CE2-CZ 4.33Å; F774-V835 HydrophobicContact CB-CG1 4.39Å; F774-V835 HydrophobicContact CD2-CB 4.43Å; F774-V835 HydrophobicContact CD2-CG1 3.85Å; F774-V835 HydrophobicContact CD2-CG2 4.22Å; F774-V835 HydrophobicContact CE2-CG1 4.34Å; F774-V835 HydrophobicContact CE2-CG2 3.92Å; F774-V835 HydrophobicContact CG-CG1 4.07Å; F774-V835 HydrophobicContact CZ-CG2 4.46Å
775L87.9Confident88.3Confident29 Ų2958.7 Ų58.715%0.15232%0.324CS..Hα-helixtrans-59.5-43178.5-74.4174.7000111.4I756 F759 V771 V772 S777 L778 Y779I756-L775 HydrophobicContact CD1-CD2 4.17Å; F759-L775 HydrophobicContact CE2-CD1 4.32Å; F759-L775 HydrophobicContact CE2-CD2 3.83Å; F759-L775 HydrophobicContact CE2-CG 4.15Å; F759-L775 HydrophobicContact CZ-CD1 4.02Å; F759-L775 HydrophobicContact CZ-CD2 4.24Å; F759-L775 HydrophobicContact CZ-CG 4.36Å; V771-L775 HydrophobicContact CG1-CD1 4.11Å; V771-L775 HydrophobicContact CG1-CG 4.5Å; V771-L775 WeakPolarHBondContact O-CG 3.31Å; V771-L775 PolarHBondContact O-N 2.68Å; V772-L775 PolarHBondContact O-N 3.1Å; L775-S777 PolarHBondContact O-N 3.06Å; L775-L778 PolarHBondContact O-N 3.43Å; L775-Y779 HydrophobicContact CB-CD2 4.31Å; L775-Y779 HydrophobicContact CB-CE2 4.16Å; L775-Y779 HydrophobicContact CD2-CE2 4.05Å; L775-Y779 WeakPolarHBondContact O-CB 3.37Å; L775-Y779 WeakPolarHBondContact O-CD2 3.47Å; L775-Y779 PolarHBondContact O-N 3.09Å
776N86.2Confident88.6Confident104 Ų10453 Ų5356%0.55630%0.297SS*.Hα-helixtrans-60.8-43.3176.2-107.8-3.1000112V772 F774 T780V772-N776 WeakPolarHBondContact O-CB 2.99Å; V772-N776 PolarHBondContact O-N 2.9Å; F774-N776 VanDerWaalsContact C-N 3.32Å; F774-N776 PolarHBondContact O-N 3.03Å; N776-T780 WeakPolarHBondContact O-CB 3.14Å; N776-T780 PolarHBondContact O-N 2.74Å; N776-T780 PolarHBondContact O-OG1 3Å
777S88Confident88.7Confident55 Ų5560.7 Ų60.739%0.38533%0.325SS..Hα-helixtrans-64.1-44.5177.5-1050000112.2A773 F774 L775 T780 L781A773-S777 PolarHBondContact O-N 3.46Å; F774-S777 PolarHBondContact O-N 3.33Å; F774-S777 VanDerWaalsContact O-N 3.17Å; L775-S777 PolarHBondContact O-N 3.06Å; S777-T780 PolarHBondContact O-N 2.87Å; S777-L781 PolarHBondContact O-N 3.37Å; S777-L781 VanDerWaalsContact O-N 3.09Å
778L89Confident88.8Confident1 Ų160.3 Ų60.31%0.00532%0.318CS..Hα-helixtrans-65.6-48.2179.1-171.973.5000111.4I756 F774 L775 T780 L781 F782 V830 F833I756-L778 HydrophobicContact CD1-CD2 3.44Å; I756-L778 VanDerWaalsContact CD1-CD2 3.44Å; I756-L778 HydrophobicContact CG1-CD2 4.06Å; F774-L778 HydrophobicContact CE2-CB 4.37Å; F774-L778 HydrophobicContact CE2-CD2 4.46Å; F774-L778 HydrophobicContact CZ-CD2 4.38Å; F774-L778 PolarHBondContact O-N 2.68Å; L775-L778 PolarHBondContact O-N 3.43Å; L778-T780 VanDerWaalsContact C-N 3.31Å; L778-T780 PolarHBondContact O-N 2.75Å; L778-L781 WeakPolarHBondContact O-CB 3.42Å; L778-L781 PolarHBondContact O-N 3.18Å; L778-L781 VanDerWaalsContact O-N 3.14Å; L778-F782 HydrophobicContact CD1-CE1 3.85Å; L778-F782 HydrophobicContact CD1-CZ 3.92Å; L778-F782 HydrophobicContact CD2-CE2 4.32Å; L778-F782 HydrophobicContact CD2-CZ 4.13Å; L778-F782 HydrophobicContact CG-CE1 4.05Å; L778-F782 HydrophobicContact CG-CE2 4.22Å; L778-F782 HydrophobicContact CG-CZ 3.85Å; L778-F782 WeakPolarHBondContact O-CD1 3.34Å; L778-F782 PolarHBondContact O-N 3.33Å; L778-V830 HydrophobicContact CD1-CG2 4.4Å; L778-F833 HydrophobicContact CB-CZ 4.18Å; L778-F833 HydrophobicContact CD1-CD1 3.99Å; L778-F833 HydrophobicContact CD1-CD2 4.43Å; L778-F833 HydrophobicContact CD1-CE1 4.05Å; L778-F833 HydrophobicContact CD1-CE2 4.44Å; L778-F833 HydrophobicContact CD1-CG 4.19Å; L778-F833 HydrophobicContact CD1-CZ 4.25Å
779Y89.1Confident89.1Confident37 Ų3756.8 Ų56.815%0.14529%0.291CS..Hα-helixtrans-68-29.8178.3-64.8-30.7000112.6L775 L781 F782 D783 G798 D799 A800 Y801L775-Y779 HydrophobicContact CB-CD2 4.31Å; L775-Y779 HydrophobicContact CB-CE2 4.16Å; L775-Y779 HydrophobicContact CD2-CE2 4.05Å; L775-Y779 WeakPolarHBondContact O-CB 3.37Å; L775-Y779 WeakPolarHBondContact O-CD2 3.47Å; L775-Y779 PolarHBondContact O-N 3.09Å; Y779-L781 VanDerWaalsContact C-N 3.34Å; Y779-F782 HydrophobicContact CD1-CD2 4.19Å; Y779-F782 PolarHBondContact O-N 3.22Å; Y779-D783 WeakPolarHBondContact O-CB 3.14Å; Y779-D783 PolarHBondContact O-N 3.42Å; Y779-G798 PolarHBondContact OH-O 3.16Å; Y779-G798 VanDerWaalsContact OH-O 3.08Å; Y779-D799 VanDerWaalsContact OH-C 3.32Å; Y779-D799 WeakPolarHBondContact OH-CA 3.33Å; Y779-D799 PolarHBondContact OH-O 3.13Å; Y779-A800 PolarHBondContact OH-O 3.24Å; Y779-Y801 AromaticContact CD1-CD2 3.38Å; Y779-Y801 HydrophobicContact CD1-CD2 3.38Å; Y779-Y801 AromaticContact CD1-CE2 3.74Å; Y779-Y801 HydrophobicContact CD1-CE2 3.74Å; Y779-Y801 HydrophobicContact CD1-CG 4.34Å; Y779-Y801 AromaticContact CE1-CD2 3.47Å; Y779-Y801 HydrophobicContact CE1-CD2 3.47Å; Y779-Y801 VanDerWaalsContact CE1-CD2 3.47Å; Y779-Y801 HydrophobicContact CE1-CE2 4.28Å; Y779-Y801 HydrophobicContact CE1-CG 4.2Å; Y779-Y801 HydrophobicContact CG-CD2 4.27Å; Y779-Y801 HydrophobicContact CG-CE2 4.3Å
780T88.5Confident89.3Confident92 Ų9254.7 Ų54.756%0.56428%0.276SS*.Hα-helixtrans-64.7-39.6171.2-60.50000111.4N776 S777 L778 R784N776-T780 WeakPolarHBondContact O-CB 3.14Å; N776-T780 PolarHBondContact O-N 2.74Å; N776-T780 PolarHBondContact O-OG1 3Å; S777-T780 PolarHBondContact O-N 2.87Å; L778-T780 VanDerWaalsContact C-N 3.31Å; L778-T780 PolarHBondContact O-N 2.75Å; T780-R784 WeakPolarHBondContact O-CB 3.43Å; T780-R784 PolarHBondContact O-N 3.41Å; T780-R784 VanDerWaalsContact O-N 3.15Å
781L90.4Very high89.5Confident21 Ų2152.5 Ų52.511%0.1127%0.267CS..Hα-helixtrans-61.6-46.2173.2173.366000110.8S777 L778 Y779 R784 I785 A829 F833S777-L781 PolarHBondContact O-N 3.37Å; S777-L781 VanDerWaalsContact O-N 3.09Å; L778-L781 WeakPolarHBondContact O-CB 3.42Å; L778-L781 PolarHBondContact O-N 3.18Å; L778-L781 VanDerWaalsContact O-N 3.14Å; Y779-L781 VanDerWaalsContact C-N 3.34Å; L781-R784 WeakPolarHBondContact O-CB 3.35Å; L781-R784 PolarHBondContact O-N 3.05Å; L781-I785 HydrophobicContact CD1-CD1 4.12Å; L781-I785 HydrophobicContact CG-CD1 4.22Å; L781-I785 WeakPolarHBondContact O-CG1 3.07Å; L781-I785 PolarHBondContact O-N 3.28Å; L781-A829 HydrophobicContact CD1-CB 4.41Å; L781-A829 HydrophobicContact CD2-CB 4.19Å; L781-F833 HydrophobicContact CD2-CB 4.23Å; L781-F833 HydrophobicContact CD2-CD2 3.8Å; L781-F833 HydrophobicContact CD2-CG 4.33Å
782F92.5Very high89.6Confident2 Ų253.5 Ų53.51%0.00927%0.269CS..Hα-helixtrans-65.8-49.7-179.4-67.92.4000111.5L778 Y779 R784 I785 I786 Y801 L826 V830 L845L778-F782 HydrophobicContact CD1-CE1 3.85Å; L778-F782 HydrophobicContact CD1-CZ 3.92Å; L778-F782 HydrophobicContact CD2-CE2 4.32Å; L778-F782 HydrophobicContact CD2-CZ 4.13Å; L778-F782 HydrophobicContact CG-CE1 4.05Å; L778-F782 HydrophobicContact CG-CE2 4.22Å; L778-F782 HydrophobicContact CG-CZ 3.85Å; L778-F782 WeakPolarHBondContact O-CD1 3.34Å; L778-F782 PolarHBondContact O-N 3.33Å; Y779-F782 HydrophobicContact CD1-CD2 4.19Å; Y779-F782 PolarHBondContact O-N 3.22Å; F782-R784 PolarHBondContact O-N 2.73Å; F782-R784 VanDerWaalsContact O-N 3.11Å; F782-I785 PolarHBondContact O-N 2.84Å; F782-I786 WeakPolarHBondContact O-CG2 3.17Å; F782-I786 PolarHBondContact O-N 3.48Å; F782-Y801 HydrophobicContact CB-CD1 4.48Å; F782-Y801 HydrophobicContact CB-CE1 3.79Å; F782-Y801 HydrophobicContact CB-CE2 4.05Å; F782-Y801 AromaticContact CD2-CD1 3.64Å; F782-Y801 HydrophobicContact CD2-CD1 3.64Å; F782-Y801 AromaticContact CD2-CD2 3.92Å; F782-Y801 HydrophobicContact CD2-CD2 3.92Å; F782-Y801 AromaticContact CD2-CE1 3.82Å; F782-Y801 HydrophobicContact CD2-CE1 3.82Å; F782-Y801 HydrophobicContact CD2-CE2 4.07Å; F782-Y801 AromaticContact CD2-CG 3.68Å; F782-Y801 HydrophobicContact CD2-CG 3.68Å; F782-Y801 HydrophobicContact CE2-CD1 4.34Å; F782-Y801 HydrophobicContact CE2-CG 4.24Å; F782-Y801 HydrophobicContact CG-CD1 4.5Å; F782-Y801 HydrophobicContact CG-CE1 4.26Å; F782-L826 HydrophobicContact CB-CD2 3.95Å; F782-L826 HydrophobicContact CD1-CD2 3.41Å; F782-L826 VanDerWaalsContact CD1-CD2 3.41Å; F782-L826 HydrophobicContact CD2-CD2 4.43Å; F782-L826 HydrophobicContact CE1-CD2 3.95Å; F782-L826 HydrophobicContact CG-CD2 3.68Å; F782-V830 HydrophobicContact CE1-CG2 3.48Å; F782-V830 VanDerWaalsContact CE1-CG2 3.48Å; F782-V830 HydrophobicContact CZ-CG2 3.77Å; F782-L845 HydrophobicContact CZ-CD1 3.91Å; F782-L845 HydrophobicContact CZ-CD2 4.06Å
783D88.9Confident89.8Confident45 Ų4552.8 Ų52.824%0.24126%0.259CS..Hα-helixtrans-56.7-30.9178.6-72.7-2.5000111.6Y779 R787 K793 Y801Y779-D783 WeakPolarHBondContact O-CB 3.14Å; Y779-D783 PolarHBondContact O-N 3.42Å; D783-R787 VanDerWaalsContact O-CG 3.29Å; D783-R787 WeakPolarHBondContact O-CG 3.21Å; D783-K793 VanDerWaalsContact CG-NZ 3.32Å; D783-K793 WeakPolarHBondContact OD1-CD 3.24Å; D783-K793 IonicContact OD1-NZ 3.03Å; D783-K793 PolarHBondContact OD1-NZ 2.6Å; D783-K793 IonicContact OD2-NZ 2.74Å; D783-K793 PolarHBondContact OD2-NZ 3.35Å; D783-Y801 PolarHBondContact OD1-OH 3.38Å
784R91.2Very high89.9Confident159 Ų15951 Ų5160%0.624%0.243SC*.Hα-helixtrans-72.1-37.3174.2-177.9178.562.7166.70.5113.2T780 L781 F782T780-R784 WeakPolarHBondContact O-CB 3.43Å; T780-R784 PolarHBondContact O-N 3.41Å; T780-R784 VanDerWaalsContact O-N 3.15Å; L781-R784 WeakPolarHBondContact O-CB 3.35Å; L781-R784 PolarHBondContact O-N 3.05Å; F782-R784 PolarHBondContact O-N 2.73Å; F782-R784 VanDerWaalsContact O-N 3.11Å
785I91.4Very high89.5Confident13 Ų1357.3 Ų57.37%0.06727%0.272CS..Hα-helixtrans-75.5-48.6-179.1-67.7166.2000110L781 F782 R787 Q788 Y789 E825 L826 A829L781-I785 HydrophobicContact CD1-CD1 4.12Å; L781-I785 HydrophobicContact CG-CD1 4.22Å; L781-I785 WeakPolarHBondContact O-CG1 3.07Å; L781-I785 PolarHBondContact O-N 3.28Å; F782-I785 PolarHBondContact O-N 2.84Å; I785-R787 PolarHBondContact O-N 2.88Å; I785-R787 VanDerWaalsContact O-N 3.1Å; I785-Q788 WeakPolarHBondContact O-CB 3.49Å; I785-Q788 PolarHBondContact O-N 3.37Å; I785-Q788 VanDerWaalsContact O-N 3.09Å; I785-Y789 HydrophobicContact CG2-CE2 4.16Å; I785-Y789 WeakPolarHBondContact O-CD2 3.18Å; I785-E825 HydrophobicContact CG2-CB 4.43Å; I785-E825 HydrophobicContact CG2-CG 4.44Å; I785-L826 HydrophobicContact CB-CD2 4.16Å; I785-L826 HydrophobicContact CD1-CD2 3.95Å; I785-L826 HydrophobicContact CG2-CD2 4.2Å; I785-L826 HydrophobicContact CG2-CG 4.25Å; I785-A829 HydrophobicContact CD1-CB 3.37Å
786I92.8Very high88.6Confident17 Ų1758.4 Ų58.49%0.08728%0.281CS..Hα-helixtrans-62.1-24.7-175.267.1166.1000113.3F782 Q788 Y789 V791 K793 Y801 V803 M822F782-I786 WeakPolarHBondContact O-CG2 3.17Å; F782-I786 PolarHBondContact O-N 3.48Å; I786-Q788 PolarHBondContact O-N 3.47Å; I786-Y789 PolarHBondContact O-N 2.96Å; I786-V791 HydrophobicContact CB-CG2 3.77Å; I786-V791 HydrophobicContact CG2-CG2 4.45Å; I786-V791 WeakPolarHBondContact O-CG2 3.4Å; I786-K793 HydrophobicContact CD1-CB 3.96Å; I786-Y801 WeakPolarHBondContact CD1-OH 3.36Å; I786-Y801 HydrophobicContact CG2-CE1 4.41Å; I786-V803 HydrophobicContact CG2-CG2 4.44Å; I786-M822 HydrophobicContact CG2-CG 4.14Å; I786-M822 HydrophobicContact CG2-SD 3.79Å
787R87.9Confident87.9Confident175 Ų17561.5 Ų61.566%0.6630%0.296SS*.THydrogen-bonded Turntrans-58-18.2175.4-81.6173.7-165.6-179.94.2114.2D783 I785 Y789D783-R787 VanDerWaalsContact O-CG 3.29Å; D783-R787 WeakPolarHBondContact O-CG 3.21Å; I785-R787 PolarHBondContact O-N 2.88Å; I785-R787 VanDerWaalsContact O-N 3.1Å; R787-Y789 VanDerWaalsContact C-N 3.33Å
788Q90.3Very high87.2Confident62 Ų6261.2 Ų61.229%0.2930%0.301SS..THydrogen-bonded Turntrans-88.6-5.3-179.9-54.3-178.630.900112.8I785 I786 R936I785-Q788 WeakPolarHBondContact O-CB 3.49Å; I785-Q788 PolarHBondContact O-N 3.37Å; I785-Q788 VanDerWaalsContact O-N 3.09Å; I786-Q788 PolarHBondContact O-N 3.47Å; Q788-R936 WeakPolarHBondContact O-CD 3.16Å; Q788-R936 PolarHBondContact O-NH1 2.75Å
789Y93Very high86.8Confident33 Ų3362.7 Ų62.713%0.12931%0.309CS..SBendtrans-120.8153.9-173.4-63.3-82.3000110.9I785 I786 R787 V791 E818 T821 M822 E825I785-Y789 HydrophobicContact CG2-CE2 4.16Å; I785-Y789 WeakPolarHBondContact O-CD2 3.18Å; I786-Y789 PolarHBondContact O-N 2.96Å; R787-Y789 VanDerWaalsContact C-N 3.33Å; Y789-V791 PolarHBondContact O-N 2.66Å; Y789-E818 VanDerWaalsContact CA-OE2 3.27Å; Y789-E818 WeakPolarHBondContact CA-OE2 3.31Å; Y789-E818 WeakPolarHBondContact CB-OE2 2.93Å; Y789-E818 WeakPolarHBondContact CD1-OE2 3.07Å; Y789-T821 HydrophobicContact CE1-CG2 3.87Å; Y789-M822 HydrophobicContact CD1-CB 4.25Å; Y789-M822 HydrophobicContact CD2-CB 3.97Å; Y789-M822 HydrophobicContact CD2-CG 4.14Å; Y789-M822 HydrophobicContact CE1-CB 4.46Å; Y789-M822 HydrophobicContact CE2-CB 4.19Å; Y789-M822 HydrophobicContact CG-CB 4Å; Y789-E825 WeakPolarHBondContact CE2-OE2 3.5Å; Y789-E825 PolarHBondContact OH-OE2 3.3Å
790D92Very high86.6Confident73 Ų7362 Ų6239%0.3931%0.311SS..SBendtrans-80.375173.8-177.432.7000110S805 N811 E818D790-S805 WeakPolarHBondContact O-CB 3.43Å; D790-S805 PolarHBondContact O-OG 3.01Å; D790-N811 WeakPolarHBondContact OD2-CB 3.36Å; D790-N811 PolarHBondContact OD2-ND2 3.03Å; D790-E818 HydrophobicContact CB-CG 4.17Å; D790-E818 PolarHBondContact N-OE2 2.67Å
791V93Very high86.7Confident28 Ų2857.8 Ų57.817%0.1728%0.284CS..  trans-139.4151.8-174.3-610000111.9I786 Y789 V803 V804 E818 I819 M822I786-V791 HydrophobicContact CB-CG2 3.77Å; I786-V791 HydrophobicContact CG2-CG2 4.45Å; I786-V791 WeakPolarHBondContact O-CG2 3.4Å; Y789-V791 PolarHBondContact O-N 2.66Å; V791-V803 HydrophobicContact CB-CG1 3.5Å; V791-V803 VanDerWaalsContact CB-CG1 3.5Å; V791-V803 HydrophobicContact CG1-CG1 4.08Å; V791-V803 HydrophobicContact CG2-CG1 3.74Å; V791-V804 CarbonylContact C-O 3.22Å; V791-V804 WeakPolarHBondContact CA-O 3.33Å; V791-E818 HydrophobicContact CG1-CB 4.38Å; V791-I819 HydrophobicContact CG1-CD1 3.9Å; V791-M822 HydrophobicContact CG1-SD 4.34Å; V791-M822 HydrophobicContact CG2-SD 4.42Å
792Y90.4Very high86.8Confident40 Ų4057.2 Ų57.216%0.15728%0.281CS..EExtended strand (participates in β ladder)trans-115.5130.2175-178.4-102.3000110.8P728 V794 V803 V804 Y866P728-Y792 HydrophobicContact CB-CD2 4.47Å; P728-Y792 HydrophobicContact CB-CE2 4.17Å; P728-Y792 HydrophobicContact CG-CD2 4.07Å; P728-Y792 HydrophobicContact CG-CE1 4.48Å; P728-Y792 HydrophobicContact CG-CE2 3.51Å; Y792-V794 HydrophobicContact CD1-CG2 4.06Å; Y792-V794 HydrophobicContact CE1-CG2 4.3Å; Y792-V803 WeakPolarHBondContact O-CA 3.42Å; Y792-V804 HydrophobicContact CD1-CG1 4.35Å; Y792-V804 PolarHBondContact N-O 3.29Å; Y792-V804 PolarHBondContact O-N 3.16Å; Y792-Y866 HydrophobicContact CD1-CD1 4.22Å; Y792-Y866 AromaticContact CE1-CD1 3.69Å; Y792-Y866 HydrophobicContact CE1-CD1 3.69Å
793K90.9Very high86.9Confident74 Ų7457.1 Ų57.132%0.32228%0.281SS..EExtended strand (participates in β ladder)trans-82.3125.6174.8176.1-176.2177.1175.70109.7D783 I786 Y801D783-K793 VanDerWaalsContact CG-NZ 3.32Å; D783-K793 WeakPolarHBondContact OD1-CD 3.24Å; D783-K793 IonicContact OD1-NZ 3.03Å; D783-K793 PolarHBondContact OD1-NZ 2.6Å; D783-K793 IonicContact OD2-NZ 2.74Å; D783-K793 PolarHBondContact OD2-NZ 3.35Å; I786-K793 HydrophobicContact CD1-CB 3.96Å; K793-Y801 HydrophobicContact CD-CE2 4.22Å
794V87.4Confident87.2Confident11 Ų1155 Ų557%0.06727%0.269CS..EExtended strand (participates in β ladder)trans-99.6134.6177.5-171.90000108.3Y792 T796 M802 V804 L868Y792-V794 HydrophobicContact CD1-CG2 4.06Å; Y792-V794 HydrophobicContact CE1-CG2 4.3Å; V794-T796 PolarHBondContact O-N 2.7Å; V794-M802 HydrophobicContact CB-CB 4.21Å; V794-M802 HydrophobicContact CB-CE 4.42Å; V794-M802 HydrophobicContact CB-CG 3.98Å; V794-M802 HydrophobicContact CB-SD 3.86Å; V794-M802 HydrophobicContact CG1-CE 4.39Å; V794-M802 HydrophobicContact CG1-SD 3.88Å; V794-M802 HydrophobicContact CG2-CE 4.2Å; V794-M802 HydrophobicContact CG2-CG 4.22Å; V794-M802 HydrophobicContact CG2-SD 4.26Å; V794-M802 PolarHBondContact N-O 2.95Å; V794-V804 HydrophobicContact CG2-CG1 3.99Å; V794-L868 HydrophobicContact CB-CD1 4.45Å; V794-L868 HydrophobicContact CG1-CD1 4.04Å; V794-L868 HydrophobicContact CG2-CD1 3.49Å; V794-L868 VanDerWaalsContact CG2-CD1 3.49Å
795E78.1Confident87.4Confident132 Ų13247.4 Ų47.462%0.61724%0.241SC*.PPolyproline II helixtrans-68.6125.3175.4-76.8-158.7165.400111R865E795-R865 IonicContact OE2-CZ 3.79Å; E795-R865 IonicContact OE2-NE 2.69Å; E795-R865 IonicContact OE2-NH1 3.41Å; E795-R865 PolarHBondContact OE2-NH1 3.32Å; E795-R865 IonicContact OE2-NH2 3.32Å; E795-R865 PolarHBondContact OE2-NH2 3.17Å
796T70.6Confident87.4Confident53 Ų5346.9 Ų46.933%0.32524%0.239SC..  trans-117165.8179.941.60000111.6V794 A800 M802V794-T796 PolarHBondContact O-N 2.7Å; T796-A800 WeakPolarHBondContact CB-O 2.88Å; T796-A800 PolarHBondContact OG1-O 3.16Å; T796-M802 HydrophobicContact CG2-CB 3.32Å; T796-M802 HydrophobicContact CG2-CG 4.41Å; T796-M802 HydrophobicContact CG2-SD 4.32Å
797I70.5Confident87.3Confident169 Ų16946.5 Ų46.587%0.86724%0.237SC*.SBendtrans-99.7128176.3-51.2173.9000108.2
798G72.5Confident87.2Confident49 Ų4939.4 Ų39.451%0.50521%0.214SC..THydrogen-bonded Turntrans90.4-140.1172.800000115Y779Y779-G798 PolarHBondContact OH-O 3.16Å; Y779-G798 VanDerWaalsContact OH-O 3.08Å
799D80.8Confident87Confident32 Ų3241.4 Ų41.417%0.17123%0.225CC..THydrogen-bonded Turntrans-90.6-1.3-179.356.7-36.9000113.9D755 I756 F759 Y779D755-D799 VanDerWaalsContact OD1-OD2 3.11Å; I756-D799 HydrophobicContact CD1-CB 4.21Å; F759-D799 HydrophobicContact CB-CB 4.26Å; F759-D799 WeakPolarHBondContact CB-OD2 3.04Å; F759-D799 HydrophobicContact CD1-CB 3.55Å; F759-D799 VanDerWaalsContact CD1-OD2 3.26Å; F759-D799 WeakPolarHBondContact CD1-OD2 3.28Å; F759-D799 HydrophobicContact CD2-CB 3.8Å; F759-D799 HydrophobicContact CE1-CB 3.76Å; F759-D799 HydrophobicContact CE2-CB 3.99Å; F759-D799 HydrophobicContact CG-CB 3.58Å; F759-D799 WeakPolarHBondContact CG-OD2 3.27Å; F759-D799 HydrophobicContact CZ-CB 3.98Å; Y779-D799 VanDerWaalsContact OH-C 3.32Å; Y779-D799 WeakPolarHBondContact OH-CA 3.33Å; Y779-D799 PolarHBondContact OH-O 3.13Å
800A85.1Confident86.9Confident21 Ų2145.7 Ų45.717%0.17424%0.241CC..  trans-72.9137.8174.100000111.3F753 S754 Y779 T796F753-A800 HydrophobicContact CE1-CB 4.43Å; S754-A800 CarbonylContact O-C 3.56Å; S754-A800 VanDerWaalsContact O-CA 3.27Å; S754-A800 WeakPolarHBondContact O-CA 3.49Å; Y779-A800 PolarHBondContact OH-O 3.24Å; T796-A800 WeakPolarHBondContact CB-O 2.88Å; T796-A800 PolarHBondContact OG1-O 3.16Å
801Y91.2Very high87Confident4 Ų443.5 Ų43.52%0.01623%0.229CC..EExtended strand (participates in β ladder)trans-118.6119.9171.4-163.1-102.7000110.1Y752 S754 Y779 F782 D783 I786 K793 V803Y752-Y801 HydrophobicContact CE1-CD1 4.3Å; S754-Y801 PolarHBondContact N-O 3.45Å; S754-Y801 PolarHBondContact O-N 3.37Å; S754-Y801 WeakPolarHBondContact OG-CB 2.97Å; Y779-Y801 AromaticContact CD1-CD2 3.38Å; Y779-Y801 HydrophobicContact CD1-CD2 3.38Å; Y779-Y801 AromaticContact CD1-CE2 3.74Å; Y779-Y801 HydrophobicContact CD1-CE2 3.74Å; Y779-Y801 HydrophobicContact CD1-CG 4.34Å; Y779-Y801 AromaticContact CE1-CD2 3.47Å; Y779-Y801 HydrophobicContact CE1-CD2 3.47Å; Y779-Y801 VanDerWaalsContact CE1-CD2 3.47Å; Y779-Y801 HydrophobicContact CE1-CE2 4.28Å; Y779-Y801 HydrophobicContact CE1-CG 4.2Å; Y779-Y801 HydrophobicContact CG-CD2 4.27Å; Y779-Y801 HydrophobicContact CG-CE2 4.3Å; F782-Y801 HydrophobicContact CB-CD1 4.48Å; F782-Y801 HydrophobicContact CB-CE1 3.79Å; F782-Y801 HydrophobicContact CB-CE2 4.05Å; F782-Y801 AromaticContact CD2-CD1 3.64Å; F782-Y801 HydrophobicContact CD2-CD1 3.64Å; F782-Y801 AromaticContact CD2-CD2 3.92Å; F782-Y801 HydrophobicContact CD2-CD2 3.92Å; F782-Y801 AromaticContact CD2-CE1 3.82Å; F782-Y801 HydrophobicContact CD2-CE1 3.82Å; F782-Y801 HydrophobicContact CD2-CE2 4.07Å; F782-Y801 AromaticContact CD2-CG 3.68Å; F782-Y801 HydrophobicContact CD2-CG 3.68Å; F782-Y801 HydrophobicContact CE2-CD1 4.34Å; F782-Y801 HydrophobicContact CE2-CG 4.24Å; F782-Y801 HydrophobicContact CG-CD1 4.5Å; F782-Y801 HydrophobicContact CG-CE1 4.26Å; D783-Y801 PolarHBondContact OD1-OH 3.38Å; I786-Y801 WeakPolarHBondContact CD1-OH 3.36Å; I786-Y801 HydrophobicContact CG2-CE1 4.41Å; K793-Y801 HydrophobicContact CD-CE2 4.22Å; Y801-V803 HydrophobicContact CD1-CG2 3.69Å; Y801-V803 HydrophobicContact CE1-CG2 3.4Å
802M92.5Very high86.8Confident9 Ų944.7 Ų44.74%0.04425%0.248CC..EExtended strand (participates in β ladder)trans-115.3130-176.7-176.3-177.1174.500111.4I751 Y752 F753 V794 T796 L868 V873I751-M802 HydrophobicContact CD1-CE 4.26Å; I751-M802 HydrophobicContact CG2-CE 3.79Å; I751-M802 HydrophobicContact CG2-CG 4.27Å; Y752-M802 WeakPolarHBondContact O-CA 3.4Å; F753-M802 HydrophobicContact CD2-CG 4.19Å; F753-M802 HydrophobicContact CE1-CB 4.37Å; F753-M802 HydrophobicContact CE2-CB 4.32Å; F753-M802 HydrophobicContact CE2-CE 4.03Å; F753-M802 HydrophobicContact CE2-CG 3.72Å; F753-M802 HydrophobicContact CE2-SD 3.57Å; F753-M802 VanDerWaalsContact CE2-SD 3.57Å; F753-M802 HydrophobicContact CZ-CB 4.15Å; F753-M802 HydrophobicContact CZ-CG 3.96Å; F753-M802 HydrophobicContact CZ-SD 3.59Å; F753-M802 VanDerWaalsContact CZ-SD 3.59Å; V794-M802 HydrophobicContact CB-CB 4.21Å; V794-M802 HydrophobicContact CB-CE 4.42Å; V794-M802 HydrophobicContact CB-CG 3.98Å; V794-M802 HydrophobicContact CB-SD 3.86Å; V794-M802 HydrophobicContact CG1-CE 4.39Å; V794-M802 HydrophobicContact CG1-SD 3.88Å; V794-M802 HydrophobicContact CG2-CE 4.2Å; V794-M802 HydrophobicContact CG2-CG 4.22Å; V794-M802 HydrophobicContact CG2-SD 4.26Å; V794-M802 PolarHBondContact N-O 2.95Å; T796-M802 HydrophobicContact CG2-CB 3.32Å; T796-M802 HydrophobicContact CG2-CG 4.41Å; T796-M802 HydrophobicContact CG2-SD 4.32Å; M802-L868 HydrophobicContact CE-CB 4.23Å; M802-L868 HydrophobicContact CE-CD2 4.14Å; M802-V873 HydrophobicContact CE-CG1 3.92Å; M802-V873 HydrophobicContact CE-CG2 4.31Å
803V94.5Very high86.6Confident0 Ų045.9 Ų45.90%026%0.257CS..EExtended strand (participates in β ladder)trans-136.2145.4179.4-1760000108.8Y752 I786 V791 Y792 Y801 I819 M822Y752-V803 WeakPolarHBondContact CB-O 3.42Å; Y752-V803 HydrophobicContact CD1-CB 4.24Å; Y752-V803 HydrophobicContact CD1-CG2 4.28Å; Y752-V803 PolarHBondContact N-O 3.17Å; Y752-V803 PolarHBondContact O-N 3.03Å; Y752-V803 VanDerWaalsContact O-N 3.08Å; I786-V803 HydrophobicContact CG2-CG2 4.44Å; V791-V803 HydrophobicContact CB-CG1 3.5Å; V791-V803 VanDerWaalsContact CB-CG1 3.5Å; V791-V803 HydrophobicContact CG1-CG1 4.08Å; V791-V803 HydrophobicContact CG2-CG1 3.74Å; Y792-V803 WeakPolarHBondContact O-CA 3.42Å; Y801-V803 HydrophobicContact CD1-CG2 3.69Å; Y801-V803 HydrophobicContact CE1-CG2 3.4Å; V803-I819 HydrophobicContact CB-CD1 4.46Å; V803-I819 HydrophobicContact CG1-CD1 4.04Å; V803-M822 HydrophobicContact CB-CE 4.37Å; V803-M822 HydrophobicContact CB-SD 4.17Å; V803-M822 HydrophobicContact CG1-CE 4.41Å; V803-M822 HydrophobicContact CG1-SD 3.73Å; V803-M822 HydrophobicContact CG2-SD 4.38Å
804V95.1Very high86.7Confident0 Ų047.6 Ų47.60%027%0.266CS..EExtended strand (participates in β ladder)trans-136.7147.8179.665.10000111.1V749 T750 I751 V791 Y792 V794 L807 L868V749-V804 HydrophobicContact CB-CG2 4.05Å; V749-V804 HydrophobicContact CG2-CG2 4.3Å; T750-V804 WeakPolarHBondContact O-CA 3.33Å; T750-V804 WeakPolarHBondContact O-CG2 3.24Å; I751-V804 HydrophobicContact CG1-CB 4.47Å; I751-V804 HydrophobicContact CG1-CG2 3.88Å; V791-V804 CarbonylContact C-O 3.22Å; V791-V804 WeakPolarHBondContact CA-O 3.33Å; Y792-V804 HydrophobicContact CD1-CG1 4.35Å; Y792-V804 PolarHBondContact N-O 3.29Å; Y792-V804 PolarHBondContact O-N 3.16Å; V794-V804 HydrophobicContact CG2-CG1 3.99Å; V804-L807 HydrophobicContact CG1-CD1 3.52Å; V804-L807 HydrophobicContact CG1-CD2 4.4Å; V804-L807 HydrophobicContact CG1-CG 3.87Å; V804-L807 HydrophobicContact CG2-CD1 4.49Å; V804-L807 HydrophobicContact CG2-CD2 3.94Å; V804-L807 HydrophobicContact CG2-CG 3.94Å; V804-L868 HydrophobicContact CB-CD2 4.04Å; V804-L868 HydrophobicContact CG1-CD1 4.36Å; V804-L868 HydrophobicContact CG1-CD2 3.97Å; V804-L868 HydrophobicContact CG2-CD2 3.8Å
805S95.4Very high87.1Confident0 Ų047.3 Ų47.30%026%0.264CS..EExtended strand (participates in β ladder)trans-124.3156.1169.3-168.10000110.6V749 T750 D790 N811 H815V749-S805 WeakPolarHBondContact CB-O 3.28Å; T750-S805 PolarHBondContact N-O 3.01Å; T750-S805 PolarHBondContact O-N 2.69Å; T750-S805 VanDerWaalsContact O-N 3.11Å; D790-S805 WeakPolarHBondContact O-CB 3.43Å; D790-S805 PolarHBondContact O-OG 3.01Å; S805-N811 PolarHBondContact OG-ND2 3.06Å; S805-H815 VanDerWaalsContact C-CB 3.48Å; S805-H815 WeakPolarHBondContact O-CB 3.36Å; S805-H815 WeakPolarHBondContact OG-CA 3.49Å
806G92.2Very high87.9Confident3 Ų341 Ų413%0.03123%0.234CC..SBendtrans90.91.1-173.800000114.2I809 N811G806-I809 CarbonylContact C-O 3.57Å; G806-I809 VanDerWaalsContact C-O 3.22Å; G806-N811 WeakPolarHBondContact CA-OD1 3.38Å
807L91Very high89.1Confident8 Ų838.8 Ų38.84%0.04222%0.222CC..  trans-148.5155.5172.968.381.6000111.7Y746 V749 V804 I809 C854 A856 Y866 L868Y746-L807 HydrophobicContact CD1-CB 3.78Å; Y746-L807 HydrophobicContact CD2-CB 4.12Å; Y746-L807 HydrophobicContact CD2-CD2 4.16Å; Y746-L807 HydrophobicContact CE1-CB 3.7Å; Y746-L807 HydrophobicContact CE2-CB 4.03Å; Y746-L807 HydrophobicContact CG-CB 4.01Å; Y746-L807 HydrophobicContact CG-CD2 4.41Å; V749-L807 HydrophobicContact CB-CD2 4.35Å; V749-L807 HydrophobicContact CG1-CB 4.25Å; V749-L807 HydrophobicContact CG1-CD2 3.75Å; V749-L807 HydrophobicContact CG1-CG 4.23Å; V749-L807 HydrophobicContact CG2-CD2 4.39Å; V804-L807 HydrophobicContact CG1-CD1 3.52Å; V804-L807 HydrophobicContact CG1-CD2 4.4Å; V804-L807 HydrophobicContact CG1-CG 3.87Å; V804-L807 HydrophobicContact CG2-CD1 4.49Å; V804-L807 HydrophobicContact CG2-CD2 3.94Å; V804-L807 HydrophobicContact CG2-CG 3.94Å; L807-I809 PolarHBondContact N-O 3.2Å; L807-C854 WeakPolarHBondContact CD2-SG 3.45Å; L807-A856 HydrophobicContact CD1-CB 4.41Å; L807-A856 HydrophobicContact CD2-CB 4.15Å; L807-Y866 HydrophobicContact CD1-CE1 3.83Å; L807-L868 HydrophobicContact CD1-CD1 4.24Å; L807-L868 HydrophobicContact CD1-CD2 4.33Å; L807-L868 HydrophobicContact CD1-CG 4.43Å; L807-L868 HydrophobicContact CD2-CD2 3.55Å; L807-L868 HydrophobicContact CD2-CG 4.03Å; L807-L868 HydrophobicContact CG-CD2 4.45Å
808P83.9Confident90.3Very high26 Ų2631.4 Ų31.417%0.16918%0.184CC..SBendcis-69.5-15-7.130.1-35.6000113.1P728 Y746 Y866P728-P808 HydrophobicContact CB-CG 3.67Å; P728-P808 HydrophobicContact CG-CG 4.14Å; Y746-P808 WeakPolarHBondContact CE1-O 3.47Å; Y746-P808 PolarHBondContact OH-O 3.49Å; P808-Y866 HydrophobicContact CB-CE1 4.28Å
809I87.6Confident91.4Very high105 Ų10529.1 Ų29.154%0.53816%0.16SC..SBendtrans-93.5122.1176.1-59.3169.5000108.1V730 G806 L807V730-I809 HydrophobicContact CG2-CD1 4.42Å; V730-I809 HydrophobicContact CG2-CG1 4.38Å; G806-I809 CarbonylContact C-O 3.57Å; G806-I809 VanDerWaalsContact C-O 3.22Å; L807-I809 PolarHBondContact N-O 3.2Å
810R90.9Very high92.1Very high123 Ų12327.6 Ų27.646%0.46415%0.152SC..  trans-71.5130176.6-67.6172.7172.9-112.510.4109.9T745 Y746 D747T745-R810 PolarHBondContact O-NH2 3.38Å; Y746-R810 HydrophobicContact CD1-CG 3.89Å; Y746-R810 HydrophobicContact CE1-CG 4.08Å; D747-R810 IonicContact OD2-CZ 3.57Å; D747-R810 IonicContact OD2-NH1 2.76Å; D747-R810 PolarHBondContact OD2-NH1 3.26Å; D747-R810 IonicContact OD2-NH2 3.42Å; D747-R810 PolarHBondContact OD2-NH2 3.42Å
811N92.6Very high92.6Very high26 Ų2627.9 Ų27.914%0.13915%0.152CC..  trans-122.122.1-178.164.46000113.8D790 S805 G806 Q814 H815D790-N811 WeakPolarHBondContact OD2-CB 3.36Å; D790-N811 PolarHBondContact OD2-ND2 3.03Å; S805-N811 PolarHBondContact OG-ND2 3.06Å; G806-N811 WeakPolarHBondContact CA-OD1 3.38Å; N811-Q814 WeakPolarHBondContact O-CB 3.42Å; N811-Q814 PolarHBondContact O-N 2.93Å; N811-H815 WeakPolarHBondContact OD1-CB 3.46Å; N811-H815 PolarHBondContact OD1-N 3.01Å; N811-H815 VanDerWaalsContact OD1-N 3.14Å
812G89.6Confident92.8Very high54 Ų5427.7 Ų27.756%0.55715%0.151SC*.THydrogen-bonded Turntrans61.9-146.6-177.300000111.3Q814 H815G812-Q814 PolarHBondContact O-N 3.16Å; G812-Q814 VanDerWaalsContact O-N 3.12Å; G812-H815 PolarHBondContact O-CD2 3.4Å; G812-H815 PolarHBondContact O-NE2 3.24Å
813D86.6Confident93Very high65 Ų6527.3 Ų27.335%0.34815%0.149SC..THydrogen-bonded Turntrans-70.4-6.2-178.5-63.4-32.8000113.7H815 A816 K900 L901D813-H815 PolarHBondContact O-N 3.43Å; D813-A816 PolarHBondContact O-N 3.37Å; D813-K900 IonicContact OD1-NZ 3.88Å; D813-K900 WeakPolarHBondContact OD2-CD 3.47Å; D813-K900 WeakPolarHBondContact OD2-CE 3.29Å; D813-K900 IonicContact OD2-NZ 2.71Å; D813-K900 PolarHBondContact OD2-NZ 2.85Å; D813-L901 WeakPolarHBondContact O-CD1 3.32Å
814Q93.2Very high93Very high110 Ų11028.7 Ų28.751%0.51416%0.156SC..Hα-helixtrans-64.6-21.1-179-73.2-173.452.800113.4N811 G812 A816 G817 E818N811-Q814 WeakPolarHBondContact O-CB 3.42Å; N811-Q814 PolarHBondContact O-N 2.93Å; G812-Q814 PolarHBondContact O-N 3.16Å; G812-Q814 VanDerWaalsContact O-N 3.12Å; Q814-A816 PolarHBondContact O-N 3.24Å; Q814-A816 VanDerWaalsContact O-N 3.14Å; Q814-G817 PolarHBondContact O-N 3.19Å; Q814-E818 PolarHBondContact O-N 2.9Å
815H95.2Very high92.9Very high4 Ų432.2 Ų32.22%0.01917%0.172CC..Hα-helixtrans-51.9-39.5178.155.168.4000113S748 T750 S805 N811 G812 D813 I819S748-H815 PolarHBondContact O-CD2 3.37Å; S748-H815 PolarHBondContact OG-CE1 3.11Å; S748-H815 PolarHBondContact OG-NE2 3.17Å; T750-H815 PolarHBondContact OG1-ND1 3.41Å; S805-H815 VanDerWaalsContact C-CB 3.48Å; S805-H815 WeakPolarHBondContact O-CB 3.36Å; S805-H815 WeakPolarHBondContact OG-CA 3.49Å; N811-H815 WeakPolarHBondContact OD1-CB 3.46Å; N811-H815 PolarHBondContact OD1-N 3.01Å; N811-H815 VanDerWaalsContact OD1-N 3.14Å; G812-H815 PolarHBondContact O-CD2 3.4Å; G812-H815 PolarHBondContact O-NE2 3.24Å; D813-H815 PolarHBondContact O-N 3.43Å; H815-I819 WeakPolarHBondContact O-CG1 3.39Å; H815-I819 PolarHBondContact O-N 3.35Å
816A95.8Very high92.8Very high0 Ų032.2 Ų32.20%017%0.172CC..Hα-helixtrans-69.3-41.7179.400000110.9T750 D813 Q814 A820 A897 L898 L901T750-A816 VanDerWaalsContact OG1-CA 3.27Å; T750-A816 WeakPolarHBondContact OG1-CA 3.41Å; T750-A816 PolarHBondContact OG1-N 2.87Å; D813-A816 PolarHBondContact O-N 3.37Å; Q814-A816 PolarHBondContact O-N 3.24Å; Q814-A816 VanDerWaalsContact O-N 3.14Å; A816-A820 WeakPolarHBondContact O-CB 3.36Å; A816-A820 PolarHBondContact O-N 3.19Å; A816-A897 HydrophobicContact CB-CB 3.65Å; A816-L898 HydrophobicContact CB-CD2 4.06Å; A816-L898 HydrophobicContact CB-CG 4.34Å; A816-L901 HydrophobicContact CB-CD1 4.37Å
817G94.5Very high92.8Very high6 Ų633.1 Ų33.16%0.06218%0.177CC..Hα-helixtrans-69-41.418000000113.8Q814 A820 T821 Y904Q814-G817 PolarHBondContact O-N 3.19Å; G817-A820 PolarHBondContact O-N 3.47Å; G817-T821 WeakPolarHBondContact O-CB 3.44Å; G817-T821 PolarHBondContact O-N 2.99Å; G817-T821 PolarHBondContact O-OG1 3.36Å; G817-Y904 VanDerWaalsContact CA-OH 3.23Å; G817-Y904 WeakPolarHBondContact CA-OH 3.43Å; G817-Y904 PolarHBondContact O-OH 2.79Å; G817-Y904 VanDerWaalsContact O-OH 3.11Å
818E95.5Very high92.8Very high15 Ų1540 Ų407%0.0721%0.206CC..Hα-helixtrans-61.5-47176.2-70.4-71.1143.900110.1Y789 D790 V791 Q814 M822 R936Y789-E818 VanDerWaalsContact CA-OE2 3.27Å; Y789-E818 WeakPolarHBondContact CA-OE2 3.31Å; Y789-E818 WeakPolarHBondContact CB-OE2 2.93Å; Y789-E818 WeakPolarHBondContact CD1-OE2 3.07Å; D790-E818 HydrophobicContact CB-CG 4.17Å; D790-E818 PolarHBondContact N-OE2 2.67Å; V791-E818 HydrophobicContact CG1-CB 4.38Å; Q814-E818 PolarHBondContact O-N 2.9Å; E818-M822 WeakPolarHBondContact O-CB 3.5Å; E818-M822 PolarHBondContact O-N 3.29Å; E818-R936 IonicContact OE1-CZ 3.57Å; E818-R936 IonicContact OE1-NH1 3.37Å; E818-R936 PolarHBondContact OE1-NH1 3.15Å; E818-R936 IonicContact OE1-NH2 2.8Å; E818-R936 PolarHBondContact OE1-NH2 3.33Å; E818-R936 IonicContact OE2-NH1 3.14Å; E818-R936 PolarHBondContact OE2-NH1 3.33Å; E818-R936 VanDerWaalsContact OE2-NH1 3.14Å; E818-R936 IonicContact OE2-NH2 3.95Å
819I96.7Very high93.1Very high0 Ų039.8 Ų39.80%021%0.206CC..Hα-helixtrans-67.5-43.8177.8-69.4-70.3000112.4T750 V791 V803 H815 M822 A823 I849T750-I819 HydrophobicContact CG2-CB 3.83Å; T750-I819 HydrophobicContact CG2-CG1 4.11Å; T750-I819 HydrophobicContact CG2-CG2 3.73Å; T750-I819 WeakPolarHBondContact O-CG1 3.48Å; V791-I819 HydrophobicContact CG1-CD1 3.9Å; V803-I819 HydrophobicContact CB-CD1 4.46Å; V803-I819 HydrophobicContact CG1-CD1 4.04Å; H815-I819 WeakPolarHBondContact O-CG1 3.39Å; H815-I819 PolarHBondContact O-N 3.35Å; I819-M822 HydrophobicContact CD1-CE 3.96Å; I819-M822 HydrophobicContact CD1-SD 4.42Å; I819-M822 HydrophobicContact CG2-CE 4.36Å; I819-M822 PolarHBondContact O-N 2.82Å; I819-A823 VanDerWaalsContact O-CB 3.23Å; I819-A823 WeakPolarHBondContact O-CB 3.33Å; I819-A823 PolarHBondContact O-N 2.84Å; I819-I849 HydrophobicContact CG2-CB 4.36Å; I819-I849 HydrophobicContact CG2-CG2 3.37Å
820A96Very high93.2Very high0 Ų034.9 Ų34.90%018%0.181CC..Hα-helixtrans-64.8-42.2-179.400000112.2A816 G817 A823 L824 L898 Y904 L925A816-A820 WeakPolarHBondContact O-CB 3.36Å; A816-A820 PolarHBondContact O-N 3.19Å; G817-A820 PolarHBondContact O-N 3.47Å; A820-A823 PolarHBondContact O-N 3.02Å; A820-L824 WeakPolarHBondContact O-CG 3.43Å; A820-L824 PolarHBondContact O-N 3.31Å; A820-L898 HydrophobicContact CB-CD1 4.02Å; A820-L898 HydrophobicContact CB-CD2 3.53Å; A820-L898 HydrophobicContact CB-CG 4.43Å; A820-Y904 HydrophobicContact CB-CD1 4.13Å; A820-Y904 HydrophobicContact CB-CE1 3.75Å; A820-L925 HydrophobicContact CB-CD2 3.68Å
821T95.3Very high93Very high28 Ų2833.4 Ų33.417%0.17218%0.18CC..Hα-helixtrans-68.2-44.4177.6-48.60000110.8Y789 G817 A823 L824 E825 Y904 K928Y789-T821 HydrophobicContact CE1-CG2 3.87Å; G817-T821 WeakPolarHBondContact O-CB 3.44Å; G817-T821 PolarHBondContact O-N 2.99Å; G817-T821 PolarHBondContact O-OG1 3.36Å; T821-A823 VanDerWaalsContact C-N 3.34Å; T821-A823 PolarHBondContact O-N 3.31Å; T821-L824 PolarHBondContact O-N 2.81Å; T821-E825 PolarHBondContact O-N 3.3Å; T821-E825 VanDerWaalsContact O-N 3.13Å; T821-Y904 PolarHBondContact OG1-OH 3.01Å; T821-K928 HydrophobicContact CG2-CD 4.34Å; T821-K928 PolarHBondContact OG1-NZ 3.48Å
822M95.4Very high92.7Very high0 Ų038.1 Ų38.10%021%0.209CC..Hα-helixtrans-58.2-44.5174.1176.7-146.263.800111.7Y752 I786 Y789 V791 V803 E818 I819 L824 E825 L826Y752-M822 HydrophobicContact CD1-CE 4.16Å; Y752-M822 HydrophobicContact CD2-CE 3.36Å; Y752-M822 HydrophobicContact CE2-CE 3.85Å; Y752-M822 HydrophobicContact CG-CE 3.53Å; I786-M822 HydrophobicContact CG2-CG 4.14Å; I786-M822 HydrophobicContact CG2-SD 3.79Å; Y789-M822 HydrophobicContact CD1-CB 4.25Å; Y789-M822 HydrophobicContact CD2-CB 3.97Å; Y789-M822 HydrophobicContact CD2-CG 4.14Å; Y789-M822 HydrophobicContact CE1-CB 4.46Å; Y789-M822 HydrophobicContact CE2-CB 4.19Å; Y789-M822 HydrophobicContact CG-CB 4Å; V791-M822 HydrophobicContact CG1-SD 4.34Å; V791-M822 HydrophobicContact CG2-SD 4.42Å; V803-M822 HydrophobicContact CB-CE 4.37Å; V803-M822 HydrophobicContact CB-SD 4.17Å; V803-M822 HydrophobicContact CG1-CE 4.41Å; V803-M822 HydrophobicContact CG1-SD 3.73Å; V803-M822 HydrophobicContact CG2-SD 4.38Å; E818-M822 WeakPolarHBondContact O-CB 3.5Å; E818-M822 PolarHBondContact O-N 3.29Å; I819-M822 HydrophobicContact CD1-CE 3.96Å; I819-M822 HydrophobicContact CD1-SD 4.42Å; I819-M822 HydrophobicContact CG2-CE 4.36Å; I819-M822 PolarHBondContact O-N 2.82Å; M822-L824 PolarHBondContact O-N 2.81Å; M822-E825 PolarHBondContact O-N 3.19Å; M822-L826 HydrophobicContact CE-CD1 3.96Å; M822-L826 HydrophobicContact CG-CD1 3.83Å; M822-L826 HydrophobicContact CG-CG 4.31Å; M822-L826 WeakPolarHBondContact O-CB 2.9Å; M822-L826 WeakPolarHBondContact O-CG 2.96Å; M822-L826 PolarHBondContact O-N 3.18Å; M822-L826 HydrophobicContact SD-CD1 3.97Å
823A95.7Very high92.6Very high0 Ų037 Ų370%019%0.189CC..Hα-helixtrans-61.8-42.2-179.500000112.1Y752 I819 A820 T821 E825 L827 I847 I888Y752-A823 HydrophobicContact CD2-CB 3.89Å; Y752-A823 HydrophobicContact CE2-CB 3.74Å; I819-A823 VanDerWaalsContact O-CB 3.23Å; I819-A823 WeakPolarHBondContact O-CB 3.33Å; I819-A823 PolarHBondContact O-N 2.84Å; A820-A823 PolarHBondContact O-N 3.02Å; T821-A823 VanDerWaalsContact C-N 3.34Å; T821-A823 PolarHBondContact O-N 3.31Å; A823-E825 VanDerWaalsContact C-N 3.33Å; A823-E825 PolarHBondContact O-N 2.73Å; A823-L827 VanDerWaalsContact O-CB 3.3Å; A823-L827 WeakPolarHBondContact O-CB 3.22Å; A823-L827 PolarHBondContact O-N 3.1Å; A823-I847 HydrophobicContact CB-CG2 4.43Å; A823-I888 HydrophobicContact CB-CD1 3.86Å; A823-I888 HydrophobicContact CB-CG1 4.4Å; A823-I888 HydrophobicContact CB-CG2 4.44Å
824L94.5Very high92.4Very high30 Ų3040.6 Ų40.616%0.15720%0.204CC..Hα-helixtrans-63.1-39.3175.5-73.5166.5000112.1A820 T821 M822 K828 I888 L925 K928A820-L824 WeakPolarHBondContact O-CG 3.43Å; A820-L824 PolarHBondContact O-N 3.31Å; T821-L824 PolarHBondContact O-N 2.81Å; M822-L824 PolarHBondContact O-N 2.81Å; L824-K828 PolarHBondContact O-N 3.19Å; L824-K828 VanDerWaalsContact O-N 3.09Å; L824-I888 HydrophobicContact CD2-CD1 3.76Å; L824-I888 HydrophobicContact CG-CD1 4Å; L824-L925 HydrophobicContact CD1-CD2 4.25Å; L824-L925 HydrophobicContact CD1-CG 4.44Å; L824-L925 HydrophobicContact CD2-CG 4.4Å; L824-L925 HydrophobicContact CG-CD2 4.12Å; L824-L925 HydrophobicContact CG-CG 4.43Å; L824-K928 HydrophobicContact CD1-CB 4.23Å
825E93.6Very high91.8Very high73 Ų7335.5 Ų35.534%0.34118%0.18SC..Hα-helixtrans-75.4-39.7-178.9-157171.8-144.400112.5I785 Y789 T821 M822 A823 L827 K828 A829I785-E825 HydrophobicContact CG2-CB 4.43Å; I785-E825 HydrophobicContact CG2-CG 4.44Å; Y789-E825 WeakPolarHBondContact CE2-OE2 3.5Å; Y789-E825 PolarHBondContact OH-OE2 3.3Å; T821-E825 PolarHBondContact O-N 3.3Å; T821-E825 VanDerWaalsContact O-N 3.13Å; M822-E825 PolarHBondContact O-N 3.19Å; A823-E825 VanDerWaalsContact C-N 3.33Å; A823-E825 PolarHBondContact O-N 2.73Å; E825-L827 VanDerWaalsContact C-N 3.34Å; E825-K828 PolarHBondContact O-N 2.86Å; E825-A829 WeakPolarHBondContact O-CB 3.42Å; E825-A829 PolarHBondContact O-N 3.21Å
826L93.2Very high91.2Very high0 Ų038.8 Ų38.80%020%0.202CC..Hα-helixtrans-59-46170.1-78170.1000111Y752 F782 I785 M822 K828 A829 V830Y752-L826 HydrophobicContact CE1-CD1 4.37Å; Y752-L826 HydrophobicContact CE2-CD1 4.22Å; F782-L826 HydrophobicContact CB-CD2 3.95Å; F782-L826 HydrophobicContact CD1-CD2 3.41Å; F782-L826 VanDerWaalsContact CD1-CD2 3.41Å; F782-L826 HydrophobicContact CD2-CD2 4.43Å; F782-L826 HydrophobicContact CE1-CD2 3.95Å; F782-L826 HydrophobicContact CG-CD2 3.68Å; I785-L826 HydrophobicContact CB-CD2 4.16Å; I785-L826 HydrophobicContact CD1-CD2 3.95Å; I785-L826 HydrophobicContact CG2-CD2 4.2Å; I785-L826 HydrophobicContact CG2-CG 4.25Å; M822-L826 HydrophobicContact CE-CD1 3.96Å; M822-L826 HydrophobicContact CG-CD1 3.83Å; M822-L826 HydrophobicContact CG-CG 4.31Å; M822-L826 WeakPolarHBondContact O-CB 2.9Å; M822-L826 WeakPolarHBondContact O-CG 2.96Å; M822-L826 PolarHBondContact O-N 3.18Å; M822-L826 HydrophobicContact SD-CD1 3.97Å; L826-K828 VanDerWaalsContact C-N 3.35Å; L826-K828 PolarHBondContact O-N 2.7Å; L826-A829 PolarHBondContact O-N 3.47Å; L826-V830 WeakPolarHBondContact O-CG2 3.47Å; L826-V830 PolarHBondContact O-N 3.12Å
827L92Very high90.5Very high23 Ų2341 Ų4112%0.1221%0.212CC..Hα-helixtrans-58.4-47177.9-163.485.8000110.8A823 E825 V830 Q831 I847A823-L827 VanDerWaalsContact O-CB 3.3Å; A823-L827 WeakPolarHBondContact O-CB 3.22Å; A823-L827 PolarHBondContact O-N 3.1Å; E825-L827 VanDerWaalsContact C-N 3.34Å; L827-V830 PolarHBondContact O-N 3.11Å; L827-Q831 WeakPolarHBondContact O-CG 3.48Å; L827-Q831 PolarHBondContact O-N 3.25Å; L827-I847 HydrophobicContact CB-CD1 4.25Å; L827-I847 HydrophobicContact CD1-CD1 3.59Å; L827-I847 HydrophobicContact CD1-CG1 4.42Å
828K91.2Very high89.8Confident153 Ų15343.7 Ų43.767%0.66522%0.222SC*.Hα-helixtrans-59.7-43.6174.7-91.3-178.2177176.70112.8L824 E825 L826 V830 Q831L824-K828 PolarHBondContact O-N 3.19Å; L824-K828 VanDerWaalsContact O-N 3.09Å; E825-K828 PolarHBondContact O-N 2.86Å; L826-K828 VanDerWaalsContact C-N 3.35Å; L826-K828 PolarHBondContact O-N 2.7Å; K828-V830 VanDerWaalsContact C-N 3.34Å; K828-V830 PolarHBondContact O-N 2.93Å; K828-Q831 WeakPolarHBondContact O-CB 3.25Å; K828-Q831 PolarHBondContact O-N 3.2Å
829A90.7Very high89Confident20 Ų2046.2 Ų46.217%0.16524%0.24CC..Hα-helixtrans-67.6-34.2-177.700000112.7L781 I785 E825 L826 Q831 V832 F833L781-A829 HydrophobicContact CD1-CB 4.41Å; L781-A829 HydrophobicContact CD2-CB 4.19Å; I785-A829 HydrophobicContact CD1-CB 3.37Å; E825-A829 WeakPolarHBondContact O-CB 3.42Å; E825-A829 PolarHBondContact O-N 3.21Å; L826-A829 PolarHBondContact O-N 3.47Å; A829-Q831 VanDerWaalsContact C-N 3.3Å; A829-Q831 PolarHBondContact O-N 2.9Å; A829-V832 WeakPolarHBondContact O-CG2 3.39Å; A829-V832 PolarHBondContact O-N 3.4Å; A829-F833 PolarHBondContact O-N 3.39Å
830V89.9Confident88.1Confident2 Ų253.9 Ų53.91%0.01228%0.281CS..Hα-helixtrans-68.2-29.8176.2171.30000112L778 F782 L826 L827 K828 V832 F833 C843 L845L778-V830 HydrophobicContact CD1-CG2 4.4Å; F782-V830 HydrophobicContact CE1-CG2 3.48Å; F782-V830 VanDerWaalsContact CE1-CG2 3.48Å; F782-V830 HydrophobicContact CZ-CG2 3.77Å; L826-V830 WeakPolarHBondContact O-CG2 3.47Å; L826-V830 PolarHBondContact O-N 3.12Å; L827-V830 PolarHBondContact O-N 3.11Å; K828-V830 VanDerWaalsContact C-N 3.34Å; K828-V830 PolarHBondContact O-N 2.93Å; V830-V832 PolarHBondContact O-N 2.99Å; V830-V832 VanDerWaalsContact O-N 3.15Å; V830-F833 WeakPolarHBondContact O-CB 3.21Å; V830-F833 PolarHBondContact O-N 3.18Å; V830-C843 HydrophobicContact CG1-CB 4.08Å; V830-C843 WeakPolarHBondContact CG1-O 3.31Å; V830-L845 HydrophobicContact CG1-CB 4.42Å; V830-L845 HydrophobicContact CG1-CD1 4.47Å; V830-L845 HydrophobicContact CG2-CD1 4.25Å; V830-L845 HydrophobicContact CG2-CD2 4.4Å
831Q86.2Confident87Confident93 Ų9357.7 Ų57.744%0.43530%0.3SS..Hα-helixtrans-59-29.9179.7-52.1-166.2-22.700113.2L827 K828 A829 W886L827-Q831 WeakPolarHBondContact O-CG 3.48Å; L827-Q831 PolarHBondContact O-N 3.25Å; K828-Q831 WeakPolarHBondContact O-CB 3.25Å; K828-Q831 PolarHBondContact O-N 3.2Å; A829-Q831 VanDerWaalsContact C-N 3.3Å; A829-Q831 PolarHBondContact O-N 2.9Å; Q831-W886 HydrophobicContact CB-CH2 3.33Å; Q831-W886 HydrophobicContact CB-CZ2 3.91Å; Q831-W886 HydrophobicContact CB-CZ3 3.95Å; Q831-W886 VanDerWaalsContact CD-CH2 3.47Å; Q831-W886 HydrophobicContact CG-CE3 3.98Å; Q831-W886 HydrophobicContact CG-CH2 3.14Å; Q831-W886 HydrophobicContact CG-CZ2 3.73Å; Q831-W886 HydrophobicContact CG-CZ3 3.28Å
832V86.6Confident86Confident125 Ų12560.2 Ų60.276%0.75832%0.318SS*.THydrogen-bonded Turntrans-105.35.8-179.6-74.40000112.9A829 V830A829-V832 WeakPolarHBondContact O-CG2 3.39Å; A829-V832 PolarHBondContact O-N 3.4Å; V830-V832 PolarHBondContact O-N 2.99Å; V830-V832 VanDerWaalsContact O-N 3.15Å
833F86.3Confident85.4Confident31 Ų3160.6 Ų60.614%0.13632%0.321CS..  trans-82.9129.6178.1179.7-89.9000111.1F774 L778 L781 A829 V830 V835 C843F774-F833 AromaticContact CD2-CE1 3.95Å; F774-F833 HydrophobicContact CD2-CE1 3.95Å; F774-F833 HydrophobicContact CD2-CZ 4.27Å; F774-F833 AromaticContact CE2-CE1 3.68Å; F774-F833 HydrophobicContact CE2-CE1 3.68Å; F774-F833 HydrophobicContact CE2-CZ 4.33Å; L778-F833 HydrophobicContact CB-CZ 4.18Å; L778-F833 HydrophobicContact CD1-CD1 3.99Å; L778-F833 HydrophobicContact CD1-CD2 4.43Å; L778-F833 HydrophobicContact CD1-CE1 4.05Å; L778-F833 HydrophobicContact CD1-CE2 4.44Å; L778-F833 HydrophobicContact CD1-CG 4.19Å; L778-F833 HydrophobicContact CD1-CZ 4.25Å; L781-F833 HydrophobicContact CD2-CB 4.23Å; L781-F833 HydrophobicContact CD2-CD2 3.8Å; L781-F833 HydrophobicContact CD2-CG 4.33Å; A829-F833 PolarHBondContact O-N 3.39Å; V830-F833 WeakPolarHBondContact O-CB 3.21Å; V830-F833 PolarHBondContact O-N 3.18Å; F833-V835 HydrophobicContact CE1-CG2 4.49Å; F833-C843 HydrophobicContact CD1-CB 4.43Å
834Q82.9Confident85Confident139 Ų13963.7 Ų63.765%0.6534%0.337SS*.EExtended strand (participates in β ladder)trans-104.4136.5174.2-74.1-175.6-15.300111.2
835V81.6Confident84.8Confident4 Ų462.3 Ų62.32%0.02433%0.33CS..EExtended strand (participates in β ladder)trans-72.4125.6177-178.30000109.3F774 F833 H837 K838F774-V835 HydrophobicContact CB-CG1 4.39Å; F774-V835 HydrophobicContact CD2-CB 4.43Å; F774-V835 HydrophobicContact CD2-CG1 3.85Å; F774-V835 HydrophobicContact CD2-CG2 4.22Å; F774-V835 HydrophobicContact CE2-CG1 4.34Å; F774-V835 HydrophobicContact CE2-CG2 3.92Å; F774-V835 HydrophobicContact CG-CG1 4.07Å; F774-V835 HydrophobicContact CZ-CG2 4.46Å; F833-V835 HydrophobicContact CE1-CG2 4.49Å; V835-H837 VanDerWaalsContact C-N 3.27Å; V835-H837 VanDerWaalsContact CG1-CE1 3.43Å; V835-H837 WeakPolarHBondContact CG1-CE1 3.37Å; V835-H837 PolarHBondContact O-N 3.13Å; V835-H837 VanDerWaalsContact O-N 3.1Å; V835-K838 HydrophobicContact CB-CB 4.5Å; V835-K838 HydrophobicContact CG1-CB 4.42Å; V835-K838 CarbonylContact O-C 3.57Å; V835-K838 VanDerWaalsContact O-C 3.23Å; V835-K838 PolarHBondContact O-N 2.94Å
836P81Confident84.8Confident73 Ų7361.5 Ų61.547%0.47432%0.324SS..THydrogen-bonded Turntrans-54.8-36.5-169.5-28.533.8000115.4
837H82.4Confident84.9Confident45 Ų4561.5 Ų61.521%0.20832%0.324CS..THydrogen-bonded Turntrans-102.6-3.4-178.262.2-70.4000114.1S766 Q770 V835S766-H837 PolarHBondContact OG-NE2 3.37Å; Q770-H837 HydrophobicContact CB-CB 4.41Å; Q770-H837 HydrophobicContact CG-CB 4.08Å; V835-H837 VanDerWaalsContact C-N 3.27Å; V835-H837 VanDerWaalsContact CG1-CE1 3.43Å; V835-H837 WeakPolarHBondContact CG1-CE1 3.37Å; V835-H837 PolarHBondContact O-N 3.13Å; V835-H837 VanDerWaalsContact O-N 3.1Å
838K80.1Confident85.1Confident63 Ų6360.4 Ų60.427%0.27432%0.318SS..EExtended strand (participates in β ladder)trans-145.874.5177.5-80.3-166.7173.9-178.20110.4E765 V835 D840 M841E765-K838 IonicContact OE2-NZ 3.24Å; E765-K838 PolarHBondContact OE2-NZ 3.45Å; V835-K838 HydrophobicContact CB-CB 4.5Å; V835-K838 HydrophobicContact CG1-CB 4.42Å; V835-K838 CarbonylContact O-C 3.57Å; V835-K838 VanDerWaalsContact O-C 3.23Å; V835-K838 PolarHBondContact O-N 2.94Å; K838-D840 PolarHBondContact O-N 2.77Å; K838-D840 VanDerWaalsContact O-N 3.13Å; K838-M841 HydrophobicContact CB-CB 4.32Å; K838-M841 PolarHBondContact O-N 2.99Å
839P77Confident85.4Confident68 Ų6853.1 Ų53.144%0.44229%0.286SS..EExtended strand (participates in β ladder)trans-62.6-21.7-17522.9-31.9000114.1M841P839-M841 VanDerWaalsContact C-N 3.28Å; P839-M841 PolarHBondContact O-N 3.04Å
840D77.7Confident85.7Confident161 Ų16153.1 Ų53.186%0.86128%0.283SS*.EExtended strand (participates in β ladder)trans-78.9-12.3-177.9-38.3-37.3000113K838K838-D840 PolarHBondContact O-N 2.77Å; K838-D840 VanDerWaalsContact O-N 3.13Å
841M73.8Confident86Confident81 Ų8153.4 Ų53.440%0.39929%0.285SS..EExtended strand (participates in β ladder)trans-99.1117.2-175.6-168.2169.6169.200110.7L762 K838 P839L762-M841 HydrophobicContact CD1-CE 3.49Å; L762-M841 VanDerWaalsContact CD1-CE 3.49Å; L762-M841 HydrophobicContact CD1-SD 3.23Å; L762-M841 WeakPolarHBondContact CD1-SD 3.38Å; K838-M841 HydrophobicContact CB-CB 4.32Å; K838-M841 PolarHBondContact O-N 2.99Å; P839-M841 VanDerWaalsContact C-N 3.28Å; P839-M841 PolarHBondContact O-N 3.04Å
842S75Confident86.5Confident81 Ų8149.5 Ų49.557%0.56627%0.269SS*.EExtended strand (participates in β ladder)trans-75.5125.7174.147.70000111L844S842-L844 PolarHBondContact O-N 2.86Å
843C81.9Confident86.9Confident8 Ų847.6 Ų47.65%0.05426%0.259CS..PPolyproline II helixtrans-71.5125.6174.9-166.90000110.1V830 F833 W886V830-C843 HydrophobicContact CG1-CB 4.08Å; V830-C843 WeakPolarHBondContact CG1-O 3.31Å; F833-C843 HydrophobicContact CD1-CB 4.43Å; C843-W886 PolarHBondContact O-NE1 2.95Å
844L87.9Confident87.2Confident64 Ų6446.5 Ų46.534%0.33526%0.255SS..  trans-105.3114.4-179.9-67.8168.4000108.6V757 S842 P885 W886V757-L844 HydrophobicContact CB-CB 3.84Å; V757-L844 HydrophobicContact CG2-CB 4.22Å; V757-L844 PolarHBondContact N-O 2.9Å; S842-L844 PolarHBondContact O-N 2.86Å; L844-P885 HydrophobicContact CD2-CB 4.5Å; L844-W886 HydrophobicContact CD2-CG 4.36Å
845L90.6Very high87.7Confident1 Ų141.4 Ų41.41%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-92.5139.7175.6-134.778.8000110.8Y752 I756 F782 V830 I847 W886Y752-L845 WeakPolarHBondContact OH-CD2 3.36Å; I756-L845 HydrophobicContact CG1-CD1 4.37Å; F782-L845 HydrophobicContact CZ-CD1 3.91Å; F782-L845 HydrophobicContact CZ-CD2 4.06Å; V830-L845 HydrophobicContact CG1-CB 4.42Å; V830-L845 HydrophobicContact CG1-CD1 4.47Å; V830-L845 HydrophobicContact CG2-CD1 4.25Å; V830-L845 HydrophobicContact CG2-CD2 4.4Å; L845-I847 HydrophobicContact CD2-CD1 3.87Å; L845-I847 HydrophobicContact CD2-CG1 3.83Å; L845-I847 HydrophobicContact CG-CG1 4.42Å; L845-W886 PolarHBondContact O-N 3.14Å
846R92.9Very high88.1Confident57 Ų5741.3 Ų41.322%0.21524%0.237CC..EExtended strand (participates in β ladder)trans-111.3132.4166-150.9-173.8-51.5176.326107.7S754 D755 V757 E880 S881 G883S754-R846 WeakPolarHBondContact CA-O 3.4Å; S754-R846 WeakPolarHBondContact CB-O 3.22Å; D755-R846 HydrophobicContact CB-CB 4.48Å; D755-R846 PolarHBondContact N-O 2.72Å; D755-R846 PolarHBondContact O-N 2.94Å; D755-R846 IonicContact OD2-CZ 2.84Å; D755-R846 IonicContact OD2-NH2 3.94Å; D755-R846 PolarHBondContact OD2-NH2 3.29Å; V757-R846 HydrophobicContact CG2-CB 3.93Å; R846-E880 WeakPolarHBondContact CD-O 3.46Å; R846-E880 WeakPolarHBondContact CG-O 3.23Å; R846-S881 PolarHBondContact NH1-O 2.91Å; R846-S881 VanDerWaalsContact NH1-O 3.14Å; R846-G883 WeakPolarHBondContact CD-O 3.41Å
847I95.8Very high88.5Confident0 Ų038 Ų380%022%0.215CC..EExtended strand (participates in β ladder)trans-127.7132.7-173.9-59.2175.5000110.2Y752 F753 A823 L827 L845 K887 I888 H889Y752-I847 HydrophobicContact CD2-CG2 3.72Å; Y752-I847 HydrophobicContact CE2-CB 4.35Å; Y752-I847 HydrophobicContact CE2-CD1 3.98Å; Y752-I847 HydrophobicContact CE2-CG1 4.13Å; Y752-I847 HydrophobicContact CE2-CG2 3.31Å; F753-I847 WeakPolarHBondContact O-CA 3.05Å; A823-I847 HydrophobicContact CB-CG2 4.43Å; L827-I847 HydrophobicContact CB-CD1 4.25Å; L827-I847 HydrophobicContact CD1-CD1 3.59Å; L827-I847 HydrophobicContact CD1-CG1 4.42Å; L845-I847 HydrophobicContact CD2-CD1 3.87Å; L845-I847 HydrophobicContact CD2-CG1 3.83Å; L845-I847 HydrophobicContact CG-CG1 4.42Å; I847-K887 PolarHBondContact N-O 3.48Å; I847-I888 HydrophobicContact CB-CB 4.48Å; I847-I888 HydrophobicContact CB-CG1 4.12Å; I847-I888 HydrophobicContact CD1-CG1 3.91Å; I847-I888 HydrophobicContact CG2-CB 4.43Å; I847-I888 HydrophobicContact CG2-CG1 4.18Å; I847-I888 HydrophobicContact CG2-CG2 3.97Å; I847-H889 PolarHBondContact O-N 3.12Å
848G96Very high88.6Confident0 Ų037.5 Ų37.50%022%0.216CC..EExtended strand (participates in β ladder)trans-123.6134.6171.200000111.8F753 H889F753-G848 PolarHBondContact N-O 2.67Å; F753-G848 PolarHBondContact O-N 3.49Å; G848-H889 CarbonylContact C-O 3.59Å; G848-H889 WeakPolarHBondContact CA-O 3.39Å
849I97.5Very high88.5Confident0 Ų037.8 Ų37.80%022%0.222CC..EExtended strand (participates in β ladder)trans-133.3128.5177.638.1169.1000112.1I751 Y752 I819 I888 H889 C890 S891 T894 L925I751-I849 VanDerWaalsContact O-CA 3.27Å; I751-I849 WeakPolarHBondContact O-CA 3.46Å; Y752-I849 HydrophobicContact CD2-CG2 3.93Å; Y752-I849 HydrophobicContact CG-CG2 4.36Å; I819-I849 HydrophobicContact CG2-CB 4.36Å; I819-I849 HydrophobicContact CG2-CG2 3.37Å; I849-I888 HydrophobicContact CD1-CG2 3.37Å; I849-I888 HydrophobicContact CG1-CG2 3.64Å; I849-H889 WeakPolarHBondContact CG1-O 3.36Å; I849-H889 PolarHBondContact N-O 2.66Å; I849-C890 HydrophobicContact CD1-CB 3.89Å; I849-C890 HydrophobicContact CG1-CB 3.64Å; I849-C890 VanDerWaalsContact O-CA 3.32Å; I849-C890 WeakPolarHBondContact O-CA 3.21Å; I849-S891 PolarHBondContact O-N 2.85Å; I849-T894 HydrophobicContact CD1-CG2 4.35Å; I849-T894 PolarHBondContact O-OG1 3.27Å; I849-L925 HydrophobicContact CD1-CD2 4.14Å
850H96.9Very high88.2Confident19 Ų1936.6 Ų36.69%0.08822%0.223CC..EExtended strand (participates in β ladder)trans-135.9140.1-178.4-179.159.8000111.3T750 I751 T872 T875 A876 M879 S891 S893 T894T750-H850 WeakPolarHBondContact CA-O 3.3Å; I751-H850 PolarHBondContact N-O 3.3Å; I751-H850 PolarHBondContact O-N 2.84Å; I751-H850 VanDerWaalsContact O-N 3.1Å; H850-T872 PolarHBondContact CD2-O 3.12Å; H850-T875 HydrophobicContact CB-CG2 4.46Å; H850-T875 VanDerWaalsContact CD2-CB 3.46Å; H850-T875 WeakPolarHBondContact CD2-CB 3.21Å; H850-A876 HydrophobicContact CB-CB 3.86Å; H850-M879 HydrophobicContact CB-CG 4.35Å; H850-S891 WeakPolarHBondContact ND1-CB 3.25Å; H850-S891 PolarHBondContact ND1-OG 3.3Å; H850-S893 PolarHBondContact CE1-OG 2.91Å; H850-S893 VanDerWaalsContact CE1-OG 3.22Å; H850-S893 PolarHBondContact ND1-OG 3.14Å; H850-T894 VanDerWaalsContact C-OG1 3.29Å; H850-T894 VanDerWaalsContact CA-OG1 3.24Å; H850-T894 WeakPolarHBondContact CA-OG1 3.46Å
851T97Very high87.7Confident9 Ų935.1 Ų35.16%0.05521%0.209CC..EExtended strand (participates in β ladder)trans-111.2130177.6-56.60000109.8V749 T750 S893 T894 A897V749-T851 VanDerWaalsContact O-CA 3.27Å; V749-T851 WeakPolarHBondContact O-CA 3.33Å; T750-T851 PolarHBondContact OG1-OG1 2.69Å; T851-S893 VanDerWaalsContact O-CB 3.28Å; T851-S893 WeakPolarHBondContact O-CB 3.35Å; T851-S893 PolarHBondContact O-OG 3.2Å; T851-T894 PolarHBondContact N-OG1 3.27Å; T851-T894 WeakPolarHBondContact OG1-CA 3.35Å; T851-T894 PolarHBondContact OG1-OG1 2.75Å; T851-A897 HydrophobicContact CG2-CB 4.45Å
852G95.1Very high87.3Confident10 Ų1037.2 Ų37.210%0.10323%0.226CC..EExtended strand (participates in β ladder)trans177.7178.5179.800000112.7V749 T872V749-G852 WeakPolarHBondContact CG2-O 3.12Å; V749-G852 PolarHBondContact N-O 3.31Å; V749-G852 PolarHBondContact O-N 3.4Å; G852-T872 WeakPolarHBondContact CA-OG1 3.32Å
853P95Very high87.1Confident85 Ų8540 Ų4055%0.55223%0.232SC*.EExtended strand (participates in β ladder)trans-74.1145179.428.2-33.7000112.4Y746 D747 T872Y746-P853 CarbonylContact O-C 3.48Å; Y746-P853 WeakPolarHBondContact O-CA 3.17Å; D747-P853 WeakPolarHBondContact O-CA 3.48Å; D747-P853 WeakPolarHBondContact O-CB 3.23Å; P853-T872 WeakPolarHBondContact O-CB 3.38Å; P853-T872 PolarHBondContact O-OG1 3.48Å
854C93.8Very high86.7Confident8 Ų841.6 Ų41.65%0.05424%0.242CC..EExtended strand (participates in β ladder)trans-145.2162.517186.80000111.8Y746 V749 L807 F869Y746-C854 PolarHBondContact N-O 2.99Å; Y746-C854 PolarHBondContact O-N 3.35Å; V749-C854 HydrophobicContact CG2-CB 4.04Å; V749-C854 VanDerWaalsContact CG2-SG 3.57Å; L807-C854 WeakPolarHBondContact CD2-SG 3.45Å; C854-F869 WeakPolarHBondContact CB-O 3.48Å
855A91.8Very high86.3Confident32 Ų3244.4 Ų44.426%0.26425%0.249SC..EExtended strand (participates in β ladder)trans-102.4140.6165.600000109.2E744 T745 L868 F869E744-A855 CarbonylContact O-C 2.96Å; E744-A855 WeakPolarHBondContact O-CA 3.45Å; T745-A855 HydrophobicContact CG2-CB 4.14Å; A855-L868 CarbonylContact O-C 3.57Å; A855-L868 WeakPolarHBondContact O-CA 3.44Å; A855-F869 PolarHBondContact N-O 3.21Å; A855-F869 PolarHBondContact O-N 2.83Å
856A91.3Very high86.1Confident2 Ų245 Ų452%0.01725%0.251CS..EExtended strand (participates in β ladder)trans-130.5144.1173.300000111P743 E744 Y746 L807 Y866 C867 L868P743-A856 WeakPolarHBondContact CA-O 3.32Å; E744-A856 PolarHBondContact N-O 3.26Å; E744-A856 PolarHBondContact O-N 3.06Å; Y746-A856 HydrophobicContact CD2-CB 4.23Å; Y746-A856 HydrophobicContact CE2-CB 3.83Å; L807-A856 HydrophobicContact CD1-CB 4.41Å; L807-A856 HydrophobicContact CD2-CB 4.15Å; A856-Y866 HydrophobicContact CB-CE1 4.02Å; A856-Y866 HydrophobicContact CB-CE2 4.4Å; A856-Y866 WeakPolarHBondContact CB-OH 3.48Å; A856-C867 VanDerWaalsContact CA-O 3.29Å; A856-C867 WeakPolarHBondContact CA-O 3.39Å; A856-L868 HydrophobicContact CB-CG 4.21Å
857G88.3Confident85.7Confident3 Ų343.9 Ų43.93%0.03125%0.251CS..EExtended strand (participates in β ladder)trans-167.9166.6-176.800000112.7C867G857-C867 PolarHBondContact N-O 3.04Å; G857-C867 PolarHBondContact O-N 2.76Å
858V85.5Confident85.5Confident35 Ų3544.7 Ų44.721%0.21226%0.256CS..EExtended strand (participates in β ladder)trans-84.1128.5175.8178.50000110V731 V741 P864 R865 Y866V731-V858 HydrophobicContact CG1-CG2 3.29Å; V741-V858 HydrophobicContact CB-CB 4.29Å; V741-V858 HydrophobicContact CB-CG2 3.9Å; V741-V858 HydrophobicContact CG1-CG2 3.83Å; V741-V858 HydrophobicContact CG2-CG2 4.15Å; V858-P864 HydrophobicContact CG1-CB 3.3Å; V858-R865 CarbonylContact C-O 3.54Å; V858-R865 WeakPolarHBondContact CA-O 3.21Å; V858-Y866 HydrophobicContact CG2-CD2 3.93Å
859V78.2Confident85.1Confident69 Ų6950 Ų5042%0.41828%0.279SS..EExtended strand (participates in β ladder)trans-115.3129.8178.4-170.70000108.8R865 C867 F869V859-R865 PolarHBondContact N-O 3.04Å; V859-R865 PolarHBondContact O-N 3.33Å; V859-C867 HydrophobicContact CG2-CB 3.74Å; V859-F869 HydrophobicContact CG2-CE2 3.81Å; V859-F869 HydrophobicContact CG2-CZ 3.72Å
860G70.9Confident84.6Confident44 Ų4451.8 Ų51.845%0.45430%0.298SS..  trans92.1128.3-179.300000113.3P864G860-P864 WeakPolarHBondContact O-CA 3.19Å
861K67.2Low84.3Confident130 Ų13055 Ų5557%0.56532%0.315SS*.SBendtrans-85.3-36.8179.4-73.9-178.7171.3179.80113.2A65A65-K861 HydrophobicContact CB-CD 3.6Å; A65-K861 PolarHBondContact O-NZ 3.01Å
862T64.7Low84.1Confident125 Ų12554.7 Ų54.777%0.76731%0.313SS*.SBendtrans-84.1-29.7-179.2-34.10000112.5
863M69.9Low84Confident140 Ų14055.2 Ų55.269%0.6932%0.315SS*.SBendtrans-139.573.5-179-153.1179.4-126.700109.1R865M863-R865 PolarHBondContact O-N 3.35Å
864P74Confident83.8Confident41 Ų4156.1 Ų56.127%0.26632%0.315SS..  trans-62.9126.1-172.422.5-32000111.9L727 L735 V858 G860L727-P864 HydrophobicContact CD1-CB 4.2Å; L727-P864 HydrophobicContact CD1-CG 4.04Å; L735-P864 HydrophobicContact CD1-CB 4.43Å; L735-P864 HydrophobicContact CD1-CG 4.41Å; V858-P864 HydrophobicContact CG1-CB 3.3Å; G860-P864 WeakPolarHBondContact O-CA 3.19Å
865R79.4Confident83.7Confident123 Ų12355.8 Ų55.846%0.46431%0.313SS..EExtended strand (participates in β ladder)trans-120.6131.6174.3-66.4179.4179.5-123.7-13.6110E795 V858 V859 M863 C867E795-R865 IonicContact OE2-CZ 3.79Å; E795-R865 IonicContact OE2-NE 2.69Å; E795-R865 IonicContact OE2-NH1 3.41Å; E795-R865 PolarHBondContact OE2-NH1 3.32Å; E795-R865 IonicContact OE2-NH2 3.32Å; E795-R865 PolarHBondContact OE2-NH2 3.17Å; V858-R865 CarbonylContact C-O 3.54Å; V858-R865 WeakPolarHBondContact CA-O 3.21Å; V859-R865 PolarHBondContact N-O 3.04Å; V859-R865 PolarHBondContact O-N 3.33Å; M863-R865 PolarHBondContact O-N 3.35Å; R865-C867 PolarHBondContact O-N 2.82Å
866Y85.9Confident83.8Confident13 Ų1354.3 Ų54.35%0.05130%0.3CS..EExtended strand (participates in β ladder)trans-83.2107174.7-165.5-111.8000109.7P728 V731 Y746 Y792 L807 P808 A856 V858P728-Y866 HydrophobicContact CG-CD1 3.67Å; P728-Y866 HydrophobicContact CG-CD2 4.42Å; P728-Y866 HydrophobicContact CG-CE1 4.09Å; P728-Y866 HydrophobicContact CG-CG 3.85Å; V731-Y866 HydrophobicContact CG1-CD2 4.48Å; V731-Y866 HydrophobicContact CG2-CD2 3.92Å; V731-Y866 HydrophobicContact CG2-CE2 3.81Å; Y746-Y866 PolarHBondContact OH-OH 3.28Å; Y792-Y866 HydrophobicContact CD1-CD1 4.22Å; Y792-Y866 AromaticContact CE1-CD1 3.69Å; Y792-Y866 HydrophobicContact CE1-CD1 3.69Å; L807-Y866 HydrophobicContact CD1-CE1 3.83Å; P808-Y866 HydrophobicContact CB-CE1 4.28Å; A856-Y866 HydrophobicContact CB-CE1 4.02Å; A856-Y866 HydrophobicContact CB-CE2 4.4Å; A856-Y866 WeakPolarHBondContact CB-OH 3.48Å; V858-Y866 HydrophobicContact CG2-CD2 3.93Å
867C86.4Confident83.9Confident34 Ų3456.3 Ų56.323%0.2331%0.314CS..EExtended strand (participates in β ladder)trans-112.6150.2-171.3-64.30000111.5A856 G857 V859 R865 F869A856-C867 VanDerWaalsContact CA-O 3.29Å; A856-C867 WeakPolarHBondContact CA-O 3.39Å; G857-C867 PolarHBondContact N-O 3.04Å; G857-C867 PolarHBondContact O-N 2.76Å; V859-C867 HydrophobicContact CG2-CB 3.74Å; R865-C867 PolarHBondContact O-N 2.82Å; C867-F869 HydrophobicContact CB-CE2 3.76Å; C867-F869 HydrophobicContact CB-CZ 3.88Å
868L90.1Very high84Confident17 Ų1760.2 Ų60.29%0.08933%0.328CS..EExtended strand (participates in β ladder)trans-106.6142.5173.6-7477000110.7I751 V794 M802 V804 L807 A855 A856 V873I751-L868 HydrophobicContact CD1-CD2 4.16Å; V794-L868 HydrophobicContact CB-CD1 4.45Å; V794-L868 HydrophobicContact CG1-CD1 4.04Å; V794-L868 HydrophobicContact CG2-CD1 3.49Å; V794-L868 VanDerWaalsContact CG2-CD1 3.49Å; M802-L868 HydrophobicContact CE-CB 4.23Å; M802-L868 HydrophobicContact CE-CD2 4.14Å; V804-L868 HydrophobicContact CB-CD2 4.04Å; V804-L868 HydrophobicContact CG1-CD1 4.36Å; V804-L868 HydrophobicContact CG1-CD2 3.97Å; V804-L868 HydrophobicContact CG2-CD2 3.8Å; L807-L868 HydrophobicContact CD1-CD1 4.24Å; L807-L868 HydrophobicContact CD1-CD2 4.33Å; L807-L868 HydrophobicContact CD1-CG 4.43Å; L807-L868 HydrophobicContact CD2-CD2 3.55Å; L807-L868 HydrophobicContact CD2-CG 4.03Å; L807-L868 HydrophobicContact CG-CD2 4.45Å; A855-L868 CarbonylContact O-C 3.57Å; A855-L868 WeakPolarHBondContact O-CA 3.44Å; A856-L868 HydrophobicContact CB-CG 4.21Å; L868-V873 HydrophobicContact CB-CG2 3.99Å
869F87.9Confident84.5Confident111 Ų11158.5 Ų58.549%0.48732%0.318SS..EExtended strand (participates in β ladder)trans-132.8145.9179.6-59.8-80.9000110.5C854 A855 V859 C867C854-F869 WeakPolarHBondContact CB-O 3.48Å; A855-F869 PolarHBondContact N-O 3.21Å; A855-F869 PolarHBondContact O-N 2.83Å; V859-F869 HydrophobicContact CG2-CE2 3.81Å; V859-F869 HydrophobicContact CG2-CZ 3.72Å; C867-F869 HydrophobicContact CB-CE2 3.76Å; C867-F869 HydrophobicContact CB-CZ 3.88Å
870G88Confident85.2Confident38 Ų3856 Ų5639%0.39230%0.302SS..SBendtrans131.5167.1173.700000113T872 V873G870-T872 PolarHBondContact O-N 3.12Å; G870-V873 WeakPolarHBondContact O-CB 3.47Å; G870-V873 PolarHBondContact O-N 2.72Å; G870-V873 VanDerWaalsContact O-N 3.12Å
871D90.1Very high86.1Confident85 Ų8556.5 Ų56.546%0.45530%0.298SS..Hα-helixtrans-61.6-26.6-178178.158.8000113.3V873 N874 T875 K917D871-V873 VanDerWaalsContact C-N 3.3Å; D871-V873 PolarHBondContact O-N 3.26Å; D871-N874 PolarHBondContact O-N 2.93Å; D871-T875 WeakPolarHBondContact O-CB 3.31Å; D871-T875 PolarHBondContact O-N 3.25Å; D871-T875 PolarHBondContact O-OG1 3.39Å; D871-K917 WeakPolarHBondContact OD1-CE 3.37Å; D871-K917 IonicContact OD1-NZ 2.81Å; D871-K917 PolarHBondContact OD1-NZ 3.06Å; D871-K917 IonicContact OD2-NZ 2.57Å; D871-K917 PolarHBondContact OD2-NZ 3.23Å
872T93.2Very high87.3Confident3 Ų352.9 Ų52.92%0.01829%0.285CS..Hα-helixtrans-59.7-38.7174.5-57.50000112I751 H850 G852 P853 G870 T875 A876I751-T872 HydrophobicContact CD1-CG2 3.82Å; I751-T872 HydrophobicContact CG1-CG2 4.22Å; H850-T872 PolarHBondContact CD2-O 3.12Å; G852-T872 WeakPolarHBondContact CA-OG1 3.32Å; P853-T872 WeakPolarHBondContact O-CB 3.38Å; P853-T872 PolarHBondContact O-OG1 3.48Å; G870-T872 PolarHBondContact O-N 3.12Å; T872-T875 PolarHBondContact O-N 2.75Å; T872-A876 WeakPolarHBondContact O-CB 3.27Å; T872-A876 PolarHBondContact O-N 3.06Å
873V92Very high88.6Confident22 Ų2247.3 Ų47.313%0.13325%0.252CS..Hα-helixtrans-65-47.9177.4-175.70000110.3I751 F753 M802 L868 G870 D871 T875 A876 S877I751-V873 HydrophobicContact CD1-CB 4.26Å; I751-V873 HydrophobicContact CD1-CG2 3.68Å; F753-V873 HydrophobicContact CE2-CG1 4.07Å; F753-V873 HydrophobicContact CZ-CG1 4.46Å; M802-V873 HydrophobicContact CE-CG1 3.92Å; M802-V873 HydrophobicContact CE-CG2 4.31Å; L868-V873 HydrophobicContact CB-CG2 3.99Å; G870-V873 WeakPolarHBondContact O-CB 3.47Å; G870-V873 PolarHBondContact O-N 2.72Å; G870-V873 VanDerWaalsContact O-N 3.12Å; D871-V873 VanDerWaalsContact C-N 3.3Å; D871-V873 PolarHBondContact O-N 3.26Å; V873-T875 VanDerWaalsContact C-N 3.33Å; V873-T875 PolarHBondContact O-N 3.08Å; V873-A876 PolarHBondContact O-N 2.82Å; V873-S877 PolarHBondContact O-N 2.81Å
874N90.8Very high89.6Confident103 Ų10344.6 Ų44.655%0.55124%0.24SC*.Hα-helixtrans-62.6-42.2179.1-72.2-34.3000111.3D871 S877 R878D871-N874 PolarHBondContact O-N 2.93Å; N874-S877 PolarHBondContact O-N 2.84Å; N874-R878 WeakPolarHBondContact O-CG 3.36Å; N874-R878 PolarHBondContact O-N 3.22Å
875T93.1Very high90.4Very high2 Ų245.4 Ų45.41%0.01225%0.245CC..Hα-helixtrans-67.6-39.3179.4-53.80000111.3H850 D871 T872 V873 R878 M879 K917 M920H850-T875 HydrophobicContact CB-CG2 4.46Å; H850-T875 VanDerWaalsContact CD2-CB 3.46Å; H850-T875 WeakPolarHBondContact CD2-CB 3.21Å; D871-T875 WeakPolarHBondContact O-CB 3.31Å; D871-T875 PolarHBondContact O-N 3.25Å; D871-T875 PolarHBondContact O-OG1 3.39Å; T872-T875 PolarHBondContact O-N 2.75Å; V873-T875 VanDerWaalsContact C-N 3.33Å; V873-T875 PolarHBondContact O-N 3.08Å; T875-R878 PolarHBondContact O-N 3.09Å; T875-R878 VanDerWaalsContact O-N 3.14Å; T875-M879 HydrophobicContact CG2-CE 3.85Å; T875-M879 WeakPolarHBondContact O-CG 3.47Å; T875-M879 PolarHBondContact O-N 3.03Å; T875-K917 VanDerWaalsContact OG1-CE 3.23Å; T875-K917 WeakPolarHBondContact OG1-CE 3.29Å; T875-M920 HydrophobicContact CG2-CE 4.11Å; T875-M920 HydrophobicContact CG2-SD 4.36Å
876A94Very high90.9Very high0 Ų043.8 Ų43.80%024%0.239CC..Hα-helixtrans-60.2-46.4173.400000112.1I751 F753 H850 T872 V873 R878 M879 E880I751-A876 HydrophobicContact CB-CB 3.83Å; I751-A876 HydrophobicContact CG2-CB 3.69Å; F753-A876 HydrophobicContact CD2-CB 3.93Å; H850-A876 HydrophobicContact CB-CB 3.86Å; T872-A876 WeakPolarHBondContact O-CB 3.27Å; T872-A876 PolarHBondContact O-N 3.06Å; V873-A876 PolarHBondContact O-N 2.82Å; A876-R878 VanDerWaalsContact C-N 3.26Å; A876-R878 PolarHBondContact O-N 3.21Å; A876-M879 WeakPolarHBondContact O-CB 3.44Å; A876-M879 PolarHBondContact O-N 3.05Å; A876-E880 PolarHBondContact O-N 3.2Å; A876-E880 VanDerWaalsContact O-N 3.09Å
877S91.8Very high91.3Very high45 Ų4546.8 Ų46.832%0.31525%0.252SS..Hα-helixtrans-60.6-34.51741700000112.2V873 N874 E880 S881V873-S877 PolarHBondContact O-N 2.81Å; N874-S877 PolarHBondContact O-N 2.84Å; S877-E880 PolarHBondContact O-N 2.98Å; S877-S881 PolarHBondContact O-N 2.69Å; S877-S881 PolarHBondContact O-OG 3.41Å
878R91.8Very high91.7Very high84 Ų8445.2 Ų45.232%0.31724%0.242SC..Hα-helixtrans-71.4-36.1175.1-61.7-130-172.9-115.35.7113.4N874 T875 A876 E880 S881 N882 M914 K915N874-R878 WeakPolarHBondContact O-CG 3.36Å; N874-R878 PolarHBondContact O-N 3.22Å; T875-R878 PolarHBondContact O-N 3.09Å; T875-R878 VanDerWaalsContact O-N 3.14Å; A876-R878 VanDerWaalsContact C-N 3.26Å; A876-R878 PolarHBondContact O-N 3.21Å; R878-E880 VanDerWaalsContact C-N 3.26Å; R878-S881 WeakPolarHBondContact CA-OG 3.38Å; R878-N882 WeakPolarHBondContact O-CB 3.49Å; R878-N882 PolarHBondContact O-N 3.42Å; R878-N882 VanDerWaalsContact O-N 3.08Å; R878-N882 PolarHBondContact O-ND2 3.3Å; R878-M914 HydrophobicContact CB-SD 3.62Å; R878-K915 PolarHBondContact NE-O 2.73Å; R878-K915 PolarHBondContact NH1-O 2.72Å; R878-K915 PolarHBondContact NH2-O 3.32Å
879M94.6Very high92.1Very high0 Ų044.4 Ų44.40%024%0.238CC..Hα-helixtrans-60.1-41.9171.6-65.4-59.912800110.1H850 T875 A876 G883 H889 M914 M920 T922H850-M879 HydrophobicContact CB-CG 4.35Å; T875-M879 HydrophobicContact CG2-CE 3.85Å; T875-M879 WeakPolarHBondContact O-CG 3.47Å; T875-M879 PolarHBondContact O-N 3.03Å; A876-M879 WeakPolarHBondContact O-CB 3.44Å; A876-M879 PolarHBondContact O-N 3.05Å; M879-G883 PolarHBondContact O-N 2.69Å; M879-G883 VanDerWaalsContact O-N 3.12Å; M879-H889 WeakPolarHBondContact O-CB 3.25Å; M879-H889 PolarHBondContact O-ND1 3.07Å; M879-M914 HydrophobicContact CE-CE 3.12Å; M879-M914 HydrophobicContact CE-SD 3.32Å; M879-M914 WeakPolarHBondContact CE-SD 3.29Å; M879-M914 HydrophobicContact SD-CE 3.52Å; M879-M914 VanDerWaalsContact SD-CE 3.52Å; M879-M914 HydrophobicContact SD-SD 4.38Å; M879-M920 HydrophobicContact CE-CE 3.6Å; M879-M920 HydrophobicContact CE-SD 4.04Å; M879-T922 HydrophobicContact CE-CG2 4.3Å; M879-T922 HydrophobicContact SD-CG2 3.94Å
880E93.5Very high92.5Very high17 Ų1739.1 Ų39.18%0.07921%0.214CC..Hα-helixtrans-64-56.8178.5172.9-76.4117.600110F753 D755 R846 A876 S877 R878 N882 G883F753-E880 HydrophobicContact CB-CB 3.81Å; F753-E880 HydrophobicContact CB-CG 4.2Å; D755-E880 VanDerWaalsContact CB-CD 3.43Å; D755-E880 HydrophobicContact CB-CG 4.06Å; D755-E880 WeakPolarHBondContact CB-OE1 3.46Å; R846-E880 WeakPolarHBondContact CD-O 3.46Å; R846-E880 WeakPolarHBondContact CG-O 3.23Å; A876-E880 PolarHBondContact O-N 3.2Å; A876-E880 VanDerWaalsContact O-N 3.09Å; S877-E880 PolarHBondContact O-N 2.98Å; R878-E880 VanDerWaalsContact C-N 3.26Å; E880-N882 VanDerWaalsContact C-N 3.26Å; E880-N882 PolarHBondContact O-N 2.88Å; E880-G883 WeakPolarHBondContact O-CA 3.29Å; E880-G883 PolarHBondContact O-N 3.22Å
881S90.7Very high92.8Very high53 Ų5337.4 Ų37.437%0.37120%0.196SC..Hα-helixtrans-65.2-26.7-172.740.40000114R846 S877 R878R846-S881 PolarHBondContact NH1-O 2.91Å; R846-S881 VanDerWaalsContact NH1-O 3.14Å; S877-S881 PolarHBondContact O-N 2.69Å; S877-S881 PolarHBondContact O-OG 3.41Å; R878-S881 WeakPolarHBondContact CA-OG 3.38Å
882N92.3Very high93.1Very high54 Ų5436.8 Ų36.829%0.28919%0.191SC..THydrogen-bonded Turntrans-90.70171.8-68.1-82.9000113.8R878 E880 R909 V912 M914R878-N882 WeakPolarHBondContact O-CB 3.49Å; R878-N882 PolarHBondContact O-N 3.42Å; R878-N882 VanDerWaalsContact O-N 3.08Å; R878-N882 PolarHBondContact O-ND2 3.3Å; E880-N882 VanDerWaalsContact C-N 3.26Å; E880-N882 PolarHBondContact O-N 2.88Å; N882-R909 VanDerWaalsContact O-CZ 3.31Å; N882-R909 PolarHBondContact O-NH1 2.83Å; N882-R909 PolarHBondContact O-NH2 3.46Å; N882-V912 HydrophobicContact CB-CG1 4.33Å; N882-M914 HydrophobicContact CB-CE 4.36Å
883G90.5Very high93.2Very high8 Ų838.6 Ų38.68%0.08220%0.204CC..SBendtrans-70170.717700000113.2R846 M879 E880R846-G883 WeakPolarHBondContact CD-O 3.41Å; M879-G883 PolarHBondContact O-N 2.69Å; M879-G883 VanDerWaalsContact O-N 3.12Å; E880-G883 WeakPolarHBondContact O-CA 3.29Å; E880-G883 PolarHBondContact O-N 3.22Å
884L91.5Very high93.4Very high84 Ų8437.6 Ų37.644%0.4420%0.197SC..  trans-105.3150.4173.4-72.7172.6000110W886 K887 W924L884-W886 PolarHBondContact O-N 2.99Å; L884-K887 HydrophobicContact CB-CB 4.31Å; L884-K887 HydrophobicContact CB-CD 4.47Å; L884-K887 HydrophobicContact CB-CG 4.43Å; L884-K887 HydrophobicContact CD1-CD 4.5Å; L884-K887 PolarHBondContact O-N 3.24Å; L884-K887 VanDerWaalsContact O-N 3.14Å; L884-W924 HydrophobicContact CB-CH2 3.9Å; L884-W924 HydrophobicContact CB-CZ2 4.48Å; L884-W924 HydrophobicContact CB-CZ3 4.49Å; L884-W924 HydrophobicContact CD1-CH2 3.94Å; L884-W924 HydrophobicContact CD1-CZ2 3.68Å; L884-W924 HydrophobicContact CG-CH2 3.81Å; L884-W924 HydrophobicContact CG-CZ2 4.05Å
885P91.1Very high93.6Very high58 Ų5833.4 Ų33.438%0.37718%0.175SC..THydrogen-bonded Turntrans-52.5137.9172.8-21.831.4000110.5V757 L844 K887V757-P885 HydrophobicContact CG1-CG 4.39Å; V757-P885 HydrophobicContact CG2-CB 4.26Å; V757-P885 HydrophobicContact CG2-CG 4.23Å; L844-P885 HydrophobicContact CD2-CB 4.5Å; P885-K887 PolarHBondContact O-N 2.9Å
886W90.1Very high93.7Very high89 Ų8938 Ų3834%0.33720%0.199SC..THydrogen-bonded Turntrans62.916.3179.1-82.151.4000115.7Q831 C843 L844 L845 L884Q831-W886 HydrophobicContact CB-CH2 3.33Å; Q831-W886 HydrophobicContact CB-CZ2 3.91Å; Q831-W886 HydrophobicContact CB-CZ3 3.95Å; Q831-W886 VanDerWaalsContact CD-CH2 3.47Å; Q831-W886 HydrophobicContact CG-CE3 3.98Å; Q831-W886 HydrophobicContact CG-CH2 3.14Å; Q831-W886 HydrophobicContact CG-CZ2 3.73Å; Q831-W886 HydrophobicContact CG-CZ3 3.28Å; C843-W886 PolarHBondContact O-NE1 2.95Å; L844-W886 HydrophobicContact CD2-CG 4.36Å; L845-W886 PolarHBondContact O-N 3.14Å; L884-W886 PolarHBondContact O-N 2.99Å
887K93.3Very high93.7Very high75 Ų7538.7 Ų38.733%0.32620%0.204SC..  trans-122.1150.1174-68-157171.5-164.10111.8I847 L884 P885 W924I847-K887 PolarHBondContact N-O 3.48Å; L884-K887 HydrophobicContact CB-CB 4.31Å; L884-K887 HydrophobicContact CB-CD 4.47Å; L884-K887 HydrophobicContact CB-CG 4.43Å; L884-K887 HydrophobicContact CD1-CD 4.5Å; L884-K887 PolarHBondContact O-N 3.24Å; L884-K887 VanDerWaalsContact O-N 3.14Å; P885-K887 PolarHBondContact O-N 2.9Å; K887-W924 HydrophobicContact CB-CD2 4.45Å; K887-W924 HydrophobicContact CB-CE3 3.65Å; K887-W924 HydrophobicContact CB-CH2 4.36Å; K887-W924 HydrophobicContact CB-CZ3 3.59Å; K887-W924 HydrophobicContact CD-CD2 3.88Å; K887-W924 HydrophobicContact CD-CE3 3.92Å; K887-W924 HydrophobicContact CD-CG 4.34Å; K887-W924 HydrophobicContact CD-CH2 4.45Å; K887-W924 HydrophobicContact CD-CZ2 4.4Å; K887-W924 HydrophobicContact CD-CZ3 4.21Å; K887-W924 HydrophobicContact CG-CE3 4.44Å
888I96.4Very high93.8Very high2 Ų236.6 Ų36.61%0.0119%0.189CC..EExtended strand (participates in β ladder)trans-99.8108.8174.8-59.7164.5000108.1A823 L824 I847 I849 W924 L925A823-I888 HydrophobicContact CB-CD1 3.86Å; A823-I888 HydrophobicContact CB-CG1 4.4Å; A823-I888 HydrophobicContact CB-CG2 4.44Å; L824-I888 HydrophobicContact CD2-CD1 3.76Å; L824-I888 HydrophobicContact CG-CD1 4Å; I847-I888 HydrophobicContact CB-CB 4.48Å; I847-I888 HydrophobicContact CB-CG1 4.12Å; I847-I888 HydrophobicContact CD1-CG1 3.91Å; I847-I888 HydrophobicContact CG2-CB 4.43Å; I847-I888 HydrophobicContact CG2-CG1 4.18Å; I847-I888 HydrophobicContact CG2-CG2 3.97Å; I849-I888 HydrophobicContact CD1-CG2 3.37Å; I849-I888 HydrophobicContact CG1-CG2 3.64Å; I888-W924 WeakPolarHBondContact O-CA 3.25Å; I888-L925 HydrophobicContact CB-CB 4.04Å; I888-L925 HydrophobicContact CD1-CD2 4.18Å; I888-L925 HydrophobicContact CG2-CB 3.91Å; I888-L925 HydrophobicContact CG2-CD2 4.1Å; I888-L925 PolarHBondContact O-N 3.4Å
889H97Very high93.8Very high0 Ų038.8 Ų38.80%020%0.203CC..EExtended strand (participates in β ladder)trans-90125178.5-164.1-166.2000109.9I847 G848 I849 M879 R909 T922 W924I847-H889 PolarHBondContact O-N 3.12Å; G848-H889 CarbonylContact C-O 3.59Å; G848-H889 WeakPolarHBondContact CA-O 3.39Å; I849-H889 WeakPolarHBondContact CG1-O 3.36Å; I849-H889 PolarHBondContact N-O 2.66Å; M879-H889 WeakPolarHBondContact O-CB 3.25Å; M879-H889 PolarHBondContact O-ND1 3.07Å; H889-R909 PolarHBondContact CE1-NH1 3.19Å; H889-R909 PolarHBondContact ND1-NH1 2.74Å; H889-R909 VanDerWaalsContact ND1-NH1 3.11Å; H889-R909 PolarHBondContact NE2-NH1 3.44Å; H889-R909 VanDerWaalsContact NE2-NH1 3.2Å; H889-T922 WeakPolarHBondContact NE2-CB 3.5Å; H889-T922 WeakPolarHBondContact NE2-CG2 3.31Å; H889-T922 PolarHBondContact NE2-OG1 3.13Å; H889-W924 HydrophobicContact CB-CE3 4.19Å; H889-W924 HydrophobicContact CB-CH2 4.41Å; H889-W924 HydrophobicContact CB-CZ3 3.64Å; H889-W924 AromaticContact CG-CZ3 3.92Å
890C96.1Very high93.7Very high0 Ų046 Ų460%023%0.234CC..EExtended strand (participates in β ladder)trans-126148.3177.9790000113.3I849 T894 L906 F923I849-C890 HydrophobicContact CD1-CB 3.89Å; I849-C890 HydrophobicContact CG1-CB 3.64Å; I849-C890 VanDerWaalsContact O-CA 3.32Å; I849-C890 WeakPolarHBondContact O-CA 3.21Å; C890-T894 HydrophobicContact CB-CG2 4.11Å; C890-L906 VanDerWaalsContact SG-CD2 3.57Å; C890-F923 PolarHBondContact N-O 3.22Å; C890-F923 PolarHBondContact O-N 2.95Å
891S95.8Very high93.5Very high1 Ų148.5 Ų48.51%0.00725%0.248CC..EExtended strand (participates in β ladder)trans-73162.5173.462.80000112.2I849 H850 S893 T894 M895I849-S891 PolarHBondContact O-N 2.85Å; H850-S891 WeakPolarHBondContact ND1-CB 3.25Å; H850-S891 PolarHBondContact ND1-OG 3.3Å; S891-S893 VanDerWaalsContact C-N 3.26Å; S891-S893 PolarHBondContact O-N 3.15Å; S891-S893 PolarHBondContact OG-OG 3.41Å; S891-T894 PolarHBondContact O-N 3.33Å; S891-T894 VanDerWaalsContact O-N 3.13Å; S891-T894 PolarHBondContact OG-N 3.38Å; S891-T894 PolarHBondContact OG-OG1 2.7Å; S891-M895 PolarHBondContact O-N 3.19Å
892E95.4Very high93.4Very high73 Ų7347.7 Ų47.734%0.34125%0.248SC..Hα-helixtrans-55.9-39171.7-171166.8-12900112.6T894 M895 L896 R921 F923E892-T894 VanDerWaalsContact C-N 3.35Å; E892-T894 PolarHBondContact O-N 3.28Å; E892-M895 HydrophobicContact CG-CE 4.41Å; E892-M895 WeakPolarHBondContact O-CB 3.35Å; E892-M895 PolarHBondContact O-N 2.99Å; E892-L896 HydrophobicContact CG-CD1 4.45Å; E892-L896 WeakPolarHBondContact O-CG 3.48Å; E892-L896 PolarHBondContact O-N 3.09Å; E892-R921 IonicContact OE1-CZ 3.88Å; E892-R921 IonicContact OE1-NH1 3Å; E892-R921 PolarHBondContact OE1-NH1 2.95Å; E892-F923 HydrophobicContact CB-CE2 4.02Å; E892-F923 HydrophobicContact CG-CE2 4.09Å
893S95.3Very high93.3Very high41 Ų4146.3 Ų46.329%0.28725%0.246SC..Hα-helixtrans-61.3-38.9175.757.60000113.6H850 T851 S891 A897H850-S893 PolarHBondContact CE1-OG 2.91Å; H850-S893 VanDerWaalsContact CE1-OG 3.22Å; H850-S893 PolarHBondContact ND1-OG 3.14Å; T851-S893 VanDerWaalsContact O-CB 3.28Å; T851-S893 WeakPolarHBondContact O-CB 3.35Å; T851-S893 PolarHBondContact O-OG 3.2Å; S891-S893 VanDerWaalsContact C-N 3.26Å; S891-S893 PolarHBondContact O-N 3.15Å; S891-S893 PolarHBondContact OG-OG 3.41Å; S893-A897 PolarHBondContact O-N 2.85Å
894T96.2Very high93.5Very high0 Ų047.4 Ų47.40%025%0.248CC..Hα-helixtrans-70.9-39.1175.3-55.40000110.8T750 I849 H850 T851 C890 S891 E892 A897 L898T750-T894 HydrophobicContact CG2-CG2 4.38Å; I849-T894 HydrophobicContact CD1-CG2 4.35Å; I849-T894 PolarHBondContact O-OG1 3.27Å; H850-T894 VanDerWaalsContact C-OG1 3.29Å; H850-T894 VanDerWaalsContact CA-OG1 3.24Å; H850-T894 WeakPolarHBondContact CA-OG1 3.46Å; T851-T894 PolarHBondContact N-OG1 3.27Å; T851-T894 WeakPolarHBondContact OG1-CA 3.35Å; T851-T894 PolarHBondContact OG1-OG1 2.75Å; C890-T894 HydrophobicContact CB-CG2 4.11Å; S891-T894 PolarHBondContact O-N 3.33Å; S891-T894 VanDerWaalsContact O-N 3.13Å; S891-T894 PolarHBondContact OG-N 3.38Å; S891-T894 PolarHBondContact OG-OG1 2.7Å; E892-T894 VanDerWaalsContact C-N 3.35Å; E892-T894 PolarHBondContact O-N 3.28Å; T894-A897 PolarHBondContact O-N 3.45Å; T894-L898 HydrophobicContact CG2-CD1 3.95Å; T894-L898 HydrophobicContact CG2-CG 4.35Å; T894-L898 WeakPolarHBondContact O-CB 3.18Å; T894-L898 VanDerWaalsContact O-CG 3.28Å; T894-L898 WeakPolarHBondContact O-CG 3.48Å; T894-L898 PolarHBondContact O-N 3.43Å
895M95.2Very high93.6Very high16 Ų1647 Ų478%0.07925%0.245CC..Hα-helixtrans-58.4-48.7176-178.7-77.9-80.300110.8S891 E892 A897 L898 E899 L906 F923S891-M895 PolarHBondContact O-N 3.19Å; E892-M895 HydrophobicContact CG-CE 4.41Å; E892-M895 WeakPolarHBondContact O-CB 3.35Å; E892-M895 PolarHBondContact O-N 2.99Å; M895-A897 VanDerWaalsContact C-N 3.33Å; M895-A897 PolarHBondContact O-N 3.08Å; M895-L898 PolarHBondContact O-N 3.49Å; M895-L898 VanDerWaalsContact O-N 3.11Å; M895-E899 PolarHBondContact O-N 2.98Å; M895-E899 VanDerWaalsContact SD-CD 3.57Å; M895-E899 HydrophobicContact SD-CG 3.86Å; M895-L906 HydrophobicContact CB-CD2 4.27Å; M895-L906 HydrophobicContact CG-CD1 4.26Å; M895-L906 HydrophobicContact CG-CD2 4.11Å; M895-F923 HydrophobicContact CB-CD2 3.72Å; M895-F923 HydrophobicContact CB-CE2 4.1Å; M895-F923 HydrophobicContact CB-CG 4.07Å; M895-F923 HydrophobicContact CE-CD2 4.46Å; M895-F923 HydrophobicContact CE-CE1 3.89Å; M895-F923 HydrophobicContact CE-CE2 3.71Å; M895-F923 HydrophobicContact CE-CZ 3.39Å; M895-F923 HydrophobicContact CG-CD1 3.98Å; M895-F923 HydrophobicContact CG-CD2 3.9Å; M895-F923 HydrophobicContact CG-CE1 4.17Å; M895-F923 HydrophobicContact CG-CE2 4.11Å; M895-F923 HydrophobicContact CG-CG 3.87Å; M895-F923 HydrophobicContact CG-CZ 4.25Å
896L95.1Very high93.8Very high99 Ų9946.3 Ų46.352%0.51824%0.238SC..Hα-helixtrans-59.9-41.5177.4-72.1168.2000112.4E892 L898 K900E892-L896 HydrophobicContact CG-CD1 4.45Å; E892-L896 WeakPolarHBondContact O-CG 3.48Å; E892-L896 PolarHBondContact O-N 3.09Å; L896-L898 VanDerWaalsContact C-N 3.33Å; L896-L898 PolarHBondContact O-N 3.32Å; L896-K900 WeakPolarHBondContact O-CB 2.99Å; L896-K900 PolarHBondContact O-N 3.06Å; L896-K900 VanDerWaalsContact O-N 3.09Å
897A94.2Very high94Very high13 Ų1346.5 Ų46.511%0.10724%0.243CC..Hα-helixtrans-64.8-37.5176.300000112.2A816 T851 S893 T894 M895 L901A816-A897 HydrophobicContact CB-CB 3.65Å; T851-A897 HydrophobicContact CG2-CB 4.45Å; S893-A897 PolarHBondContact O-N 2.85Å; T894-A897 PolarHBondContact O-N 3.45Å; M895-A897 VanDerWaalsContact C-N 3.33Å; M895-A897 PolarHBondContact O-N 3.08Å; A897-L901 PolarHBondContact O-N 2.74Å
898L94.3Very high94.1Very high1 Ų147.6 Ų47.61%0.00525%0.249CC..Hα-helixtrans-74.8-37.9177.6-69.4172.3000113.1A816 A820 T894 M895 L896 K900 L901 G902 Y904 L906 L925A816-L898 HydrophobicContact CB-CD2 4.06Å; A816-L898 HydrophobicContact CB-CG 4.34Å; A820-L898 HydrophobicContact CB-CD1 4.02Å; A820-L898 HydrophobicContact CB-CD2 3.53Å; A820-L898 HydrophobicContact CB-CG 4.43Å; T894-L898 HydrophobicContact CG2-CD1 3.95Å; T894-L898 HydrophobicContact CG2-CG 4.35Å; T894-L898 WeakPolarHBondContact O-CB 3.18Å; T894-L898 VanDerWaalsContact O-CG 3.28Å; T894-L898 WeakPolarHBondContact O-CG 3.48Å; T894-L898 PolarHBondContact O-N 3.43Å; M895-L898 PolarHBondContact O-N 3.49Å; M895-L898 VanDerWaalsContact O-N 3.11Å; L896-L898 VanDerWaalsContact C-N 3.33Å; L896-L898 PolarHBondContact O-N 3.32Å; L898-K900 VanDerWaalsContact C-N 3.27Å; L898-K900 PolarHBondContact O-N 3.37Å; L898-L901 PolarHBondContact O-N 2.93Å; L898-G902 PolarHBondContact O-N 3.37Å; L898-Y904 HydrophobicContact CB-CD2 4.12Å; L898-Y904 HydrophobicContact CB-CG 4.42Å; L898-Y904 HydrophobicContact CD2-CD1 4.32Å; L898-Y904 HydrophobicContact CD2-CD2 3.66Å; L898-Y904 HydrophobicContact CD2-CE1 4.34Å; L898-Y904 HydrophobicContact CD2-CE2 3.68Å; L898-Y904 HydrophobicContact CD2-CG 3.99Å; L898-Y904 HydrophobicContact CG-CD2 4.43Å; L898-L906 HydrophobicContact CB-CD1 4.11Å; L898-L906 HydrophobicContact CD1-CD2 4.16Å; L898-L925 HydrophobicContact CD1-CD1 4.39Å
899E91.8Very high93.8Very high130 Ų13051.3 Ų51.361%0.60726%0.263SS*.Hα-helixtrans-59.4-42172-92.8-168.4154.200110.9M895 L901 G902M895-E899 PolarHBondContact O-N 2.98Å; M895-E899 VanDerWaalsContact SD-CD 3.57Å; M895-E899 HydrophobicContact SD-CG 3.86Å; E899-L901 VanDerWaalsContact C-N 3.32Å; E899-L901 PolarHBondContact O-N 2.99Å; E899-G902 PolarHBondContact O-N 2.78Å
900K91.2Very high93.5Very high152 Ų15252.3 Ų52.366%0.66127%0.273SS*.Hα-helixtrans-63.8-35.2178.2-162.7-176.7179.9-161.50112.9D813 L896 L898D813-K900 IonicContact OD1-NZ 3.88Å; D813-K900 WeakPolarHBondContact OD2-CD 3.47Å; D813-K900 WeakPolarHBondContact OD2-CE 3.29Å; D813-K900 IonicContact OD2-NZ 2.71Å; D813-K900 PolarHBondContact OD2-NZ 2.85Å; L896-K900 WeakPolarHBondContact O-CB 2.99Å; L896-K900 PolarHBondContact O-N 3.06Å; L896-K900 VanDerWaalsContact O-N 3.09Å; L898-K900 VanDerWaalsContact C-N 3.27Å; L898-K900 PolarHBondContact O-N 3.37Å
901L90.1Very high93.3Very high70 Ų7057.8 Ų57.837%0.36630%0.3SS..Hα-helixtrans-74.4-34173.3-80.9167.7000112.8D813 A816 A897 L898 E899 Y904D813-L901 WeakPolarHBondContact O-CD1 3.32Å; A816-L901 HydrophobicContact CB-CD1 4.37Å; A897-L901 PolarHBondContact O-N 2.74Å; L898-L901 PolarHBondContact O-N 2.93Å; E899-L901 VanDerWaalsContact C-N 3.32Å; E899-L901 PolarHBondContact O-N 2.99Å; L901-Y904 HydrophobicContact CB-CE2 4.43Å
902G89Confident93Very high36 Ų3658.6 Ų58.637%0.37131%0.305SS..  trans77.3164-175.100000114.1L898 E899 Y904L898-G902 PolarHBondContact O-N 3.37Å; E899-G902 PolarHBondContact O-N 2.78Å; G902-Y904 WeakPolarHBondContact O-CD2 3.24Å
903G90.8Very high92.8Very high24 Ų2459 Ų5925%0.24732%0.316CS..  trans84.63.1173.400000116.2K928 Q929G903-K928 CarbonylContact O-C 3.58Å; G903-K928 WeakPolarHBondContact O-CA 3.08Å; G903-K928 VanDerWaalsContact O-CG 3.26Å; G903-K928 WeakPolarHBondContact O-CG 3.48Å; G903-Q929 PolarHBondContact O-N 3.02Å
904Y93.8Very high92.4Very high31 Ų3157.1 Ų57.112%0.12230%0.303CS..EExtended strand (participates in β ladder)trans-103.9144.1175.9-61.6-86000111.6G817 A820 T821 L898 L901 G902 L925 K928G817-Y904 VanDerWaalsContact CA-OH 3.23Å; G817-Y904 WeakPolarHBondContact CA-OH 3.43Å; G817-Y904 PolarHBondContact O-OH 2.79Å; G817-Y904 VanDerWaalsContact O-OH 3.11Å; A820-Y904 HydrophobicContact CB-CD1 4.13Å; A820-Y904 HydrophobicContact CB-CE1 3.75Å; T821-Y904 PolarHBondContact OG1-OH 3.01Å; L898-Y904 HydrophobicContact CB-CD2 4.12Å; L898-Y904 HydrophobicContact CB-CG 4.42Å; L898-Y904 HydrophobicContact CD2-CD1 4.32Å; L898-Y904 HydrophobicContact CD2-CD2 3.66Å; L898-Y904 HydrophobicContact CD2-CE1 4.34Å; L898-Y904 HydrophobicContact CD2-CE2 3.68Å; L898-Y904 HydrophobicContact CD2-CG 3.99Å; L898-Y904 HydrophobicContact CG-CD2 4.43Å; L901-Y904 HydrophobicContact CB-CE2 4.43Å; G902-Y904 WeakPolarHBondContact O-CD2 3.24Å; Y904-L925 HydrophobicContact CD1-CD1 4.1Å; Y904-L925 HydrophobicContact CG-CD1 4.47Å; Y904-K928 HydrophobicContact CD1-CB 4.19Å; Y904-K928 HydrophobicContact CD1-CD 4.38Å; Y904-K928 HydrophobicContact CD1-CG 4.06Å; Y904-K928 HydrophobicContact CE1-CB 4.32Å; Y904-K928 HydrophobicContact CE1-CD 3.75Å; Y904-K928 HydrophobicContact CE1-CG 3.93Å; Y904-K928 PolarHBondContact OH-NZ 3.45Å; Y904-K928 VanDerWaalsContact OH-NZ 3.16Å
905I94.1Very high91.6Very high75 Ų7565.2 Ų65.239%0.38534%0.338SS..EExtended strand (participates in β ladder)trans-101112.7177.8-54.6173.6000107.7L926 G927 Q929I905-L926 HydrophobicContact CB-CB 4.45Å; I905-L926 HydrophobicContact CG2-CB 4.2Å; I905-L926 HydrophobicContact CG2-CD1 4.33Å; I905-L926 PolarHBondContact O-N 2.95Å; I905-G927 PolarHBondContact N-O 3.02Å; I905-Q929 HydrophobicContact CD1-CG 4.14Å; I905-Q929 HydrophobicContact CG1-CG 4.07Å
906L94.2Very high90.8Very high44 Ų4468.4 Ų68.423%0.2338%0.375CS..EExtended strand (participates in β ladder)trans-118.2139.5-178.9-66.6126.4000110.2C890 M895 L898 F923 W924 L925C890-L906 VanDerWaalsContact SG-CD2 3.57Å; M895-L906 HydrophobicContact CB-CD2 4.27Å; M895-L906 HydrophobicContact CG-CD1 4.26Å; M895-L906 HydrophobicContact CG-CD2 4.11Å; L898-L906 HydrophobicContact CB-CD1 4.11Å; L898-L906 HydrophobicContact CD1-CD2 4.16Å; L906-F923 HydrophobicContact CD2-CB 4.31Å; L906-W924 CarbonylContact C-O 3.47Å; L906-W924 VanDerWaalsContact CA-O 3.32Å; L906-W924 WeakPolarHBondContact CA-O 3.5Å; L906-L925 HydrophobicContact CD2-CD1 4.33Å; L906-L925 HydrophobicContact CG-CD1 4.32Å
907E94.7Very high90.2Very high94 Ų9467.5 Ų67.544%0.43937%0.367SS..EExtended strand (participates in β ladder)trans-119131.5176-178.4-171.2178.300109.4R909 F923 W924 L926E907-R909 PolarHBondContact O-N 3.09Å; E907-F923 CarbonylContact O-C 3.41Å; E907-F923 VanDerWaalsContact O-CA 3.22Å; E907-F923 WeakPolarHBondContact O-CA 3.45Å; E907-W924 HydrophobicContact CB-CB 4.39Å; E907-W924 PolarHBondContact N-O 2.83Å; E907-W924 PolarHBondContact O-N 2.76Å; E907-L926 HydrophobicContact CB-CD1 3.78Å; E907-L926 HydrophobicContact CB-CG 4.29Å
908E94.8Very high89.8Confident97 Ų9768.7 Ų68.745%0.45338%0.38SS..EExtended strand (participates in β ladder)trans-69.2125.8176.8-174.5169.217500110.8R921 F923E908-R921 VanDerWaalsContact CD-NH2 3.32Å; E908-R921 IonicContact OE1-CZ 3.46Å; E908-R921 IonicContact OE1-NE 2.73Å; E908-R921 PolarHBondContact OE1-NE 3.4Å; E908-R921 IonicContact OE1-NH2 3.32Å; E908-R921 PolarHBondContact OE1-NH2 3.15Å; E908-R921 IonicContact OE2-CZ 3.66Å; E908-R921 IonicContact OE2-NE 3.69Å; E908-R921 IonicContact OE2-NH2 2.78Å; E908-R921 PolarHBondContact OE2-NH2 3.47Å; E908-F923 HydrophobicContact CB-CD1 3.93Å; E908-F923 HydrophobicContact CB-CE1 3.78Å; E908-F923 HydrophobicContact CG-CD1 4.31Å; E908-F923 HydrophobicContact CG-CE1 3.91Å; E908-F923 HydrophobicContact CG-CZ 4.42Å
909R91.5Very high89.6Confident81 Ų8174.6 Ų74.631%0.30641%0.408SS..EExtended strand (participates in β ladder)trans-84.3-29.2173.4-178.6-176.2176.5172.3-4.9111.7N882 H889 E907 V912 T922 W924N882-R909 VanDerWaalsContact O-CZ 3.31Å; N882-R909 PolarHBondContact O-NH1 2.83Å; N882-R909 PolarHBondContact O-NH2 3.46Å; H889-R909 PolarHBondContact CE1-NH1 3.19Å; H889-R909 PolarHBondContact ND1-NH1 2.74Å; H889-R909 VanDerWaalsContact ND1-NH1 3.11Å; H889-R909 PolarHBondContact NE2-NH1 3.44Å; H889-R909 VanDerWaalsContact NE2-NH1 3.2Å; E907-R909 PolarHBondContact O-N 3.09Å; R909-V912 HydrophobicContact CG-CG2 4.3Å; R909-T922 WeakPolarHBondContact CB-O 3.46Å; R909-T922 PolarHBondContact N-O 3.18Å; R909-W924 HydrophobicContact CG-CZ2 3.93Å; R909-W924 VanDerWaalsContact NH1-CH2 3.31Å
910G90Very high89.6Confident20 Ų2070.2 Ų70.221%0.20639%0.388CS..EExtended strand (participates in β ladder)trans100.2-164-171.700000112.7T922G910-T922 PolarHBondContact O-N 3.38Å; G910-T922 VanDerWaalsContact O-N 3.09Å; G910-T922 PolarHBondContact O-OG1 2.86Å
911M91.5Very high89.8Confident115 Ų11567 Ų6757%0.56737%0.371SS*.EExtended strand (participates in β ladder)trans-78.4131.7178.8-64.2-64.9-174.400111.1E919 M920 R921M911-E919 WeakPolarHBondContact CB-OE2 3.41Å; M911-M920 WeakPolarHBondContact CA-O 3.49Å; M911-R921 HydrophobicContact CE-CB 4.03Å; M911-R921 HydrophobicContact CE-CG 4.32Å; M911-R921 HydrophobicContact SD-CB 3.68Å; M911-R921 HydrophobicContact SD-CG 4.21Å; M911-R921 PolarHBondContact SD-N 3.42Å
912V91.1Very high90Very high18 Ų1863.6 Ų63.611%0.10935%0.354CS..EExtended strand (participates in β ladder)trans-125.6123.6177.4-178.40000108.5N882 R909 M914 M920 T922N882-V912 HydrophobicContact CB-CG1 4.33Å; R909-V912 HydrophobicContact CG-CG2 4.3Å; V912-M914 HydrophobicContact CG1-CE 4.35Å; V912-M914 HydrophobicContact CG1-CG 4.49Å; V912-M914 PolarHBondContact O-N 3.18Å; V912-M920 PolarHBondContact N-O 3.04Å; V912-M920 PolarHBondContact O-N 3.24Å; V912-T922 WeakPolarHBondContact CG2-OG1 3.36Å
913S89.9Confident90.4Very high81 Ų8162.5 Ų62.557%0.56634%0.339SS*.EExtended strand (participates in β ladder)trans-69.8115174.4-166.20000110.6E919S913-E919 WeakPolarHBondContact CB-OE1 3.32Å
914M86.6Confident90.7Very high2 Ų262 Ų621%0.0133%0.33CS..EExtended strand (participates in β ladder)trans-111.6127.6176.2-68.6-159.1-165.500110.9R878 M879 N882 V912 G916 K917 G918 M920 T922R878-M914 HydrophobicContact CB-SD 3.62Å; M879-M914 HydrophobicContact CE-CE 3.12Å; M879-M914 HydrophobicContact CE-SD 3.32Å; M879-M914 WeakPolarHBondContact CE-SD 3.29Å; M879-M914 HydrophobicContact SD-CE 3.52Å; M879-M914 VanDerWaalsContact SD-CE 3.52Å; M879-M914 HydrophobicContact SD-SD 4.38Å; N882-M914 HydrophobicContact CB-CE 4.36Å; V912-M914 HydrophobicContact CG1-CE 4.35Å; V912-M914 HydrophobicContact CG1-CG 4.49Å; V912-M914 PolarHBondContact O-N 3.18Å; M914-G916 PolarHBondContact O-N 2.88Å; M914-K917 HydrophobicContact CB-CB 3.96Å; M914-K917 PolarHBondContact O-N 3.25Å; M914-G918 PolarHBondContact N-O 3.17Å; M914-G918 PolarHBondContact O-N 3.35Å; M914-M920 HydrophobicContact SD-SD 4.36Å; M914-T922 HydrophobicContact CE-CG2 3.97Å
915K79.2Confident90.8Very high170 Ų17060.9 Ų60.974%0.73933%0.326SS*.THydrogen-bonded Turntrans-56125.1-177.4-179.3178.2-171.8179.80110.6R878 K917R878-K915 PolarHBondContact NE-O 2.73Å; R878-K915 PolarHBondContact NH1-O 2.72Å; R878-K915 PolarHBondContact NH2-O 3.32Å; K915-K917 VanDerWaalsContact C-N 3.25Å; K915-K917 PolarHBondContact O-N 3.4Å
916G79.1Confident90.8Very high83 Ų8361.6 Ų61.686%0.85633%0.33SS*.THydrogen-bonded Turntrans76.5-2.8-177.200000116.2M914M914-G916 PolarHBondContact O-N 2.88Å
917K83.2Confident90.7Very high80 Ų8060.1 Ų60.135%0.34833%0.325SS..THydrogen-bonded Turntrans-114.8-23.6176.5-74.5-72.4178177.60113.8D871 T875 M914 K915 M920D871-K917 WeakPolarHBondContact OD1-CE 3.37Å; D871-K917 IonicContact OD1-NZ 2.81Å; D871-K917 PolarHBondContact OD1-NZ 3.06Å; D871-K917 IonicContact OD2-NZ 2.57Å; D871-K917 PolarHBondContact OD2-NZ 3.23Å; T875-K917 VanDerWaalsContact OG1-CE 3.23Å; T875-K917 WeakPolarHBondContact OG1-CE 3.29Å; M914-K917 HydrophobicContact CB-CB 3.96Å; M914-K917 PolarHBondContact O-N 3.25Å; K915-K917 VanDerWaalsContact C-N 3.25Å; K915-K917 PolarHBondContact O-N 3.4Å; K917-M920 HydrophobicContact CB-CG 4.36Å; K917-M920 HydrophobicContact CB-SD 3.92Å; K917-M920 HydrophobicContact CD-SD 4.29Å; K917-M920 HydrophobicContact CG-SD 4.12Å
918G85.5Confident90.4Very high38 Ų3860.1 Ų60.139%0.39232%0.324SS..EExtended strand (participates in β ladder)trans84.1-158.1-171.400000111.3M914 M920M914-G918 PolarHBondContact N-O 3.17Å; M914-G918 PolarHBondContact O-N 3.35Å; G918-M920 PolarHBondContact O-N 2.93Å
919E90.4Very high89.7Confident125 Ų12561.3 Ų61.358%0.58433%0.329SS*.EExtended strand (participates in β ladder)trans-74.5121.5175.7-69.3-96.5117.500109.6M911 S913M911-E919 WeakPolarHBondContact CB-OE2 3.41Å; S913-E919 WeakPolarHBondContact CB-OE1 3.32Å
920M91.7Very high88.2Confident38 Ų3867 Ų6719%0.18736%0.359CS..EExtended strand (participates in β ladder)trans-117.1136.1174.1-77.5-174.763.900110.6T875 M879 M911 V912 M914 K917 G918 T922T875-M920 HydrophobicContact CG2-CE 4.11Å; T875-M920 HydrophobicContact CG2-SD 4.36Å; M879-M920 HydrophobicContact CE-CE 3.6Å; M879-M920 HydrophobicContact CE-SD 4.04Å; M911-M920 WeakPolarHBondContact CA-O 3.49Å; V912-M920 PolarHBondContact N-O 3.04Å; V912-M920 PolarHBondContact O-N 3.24Å; M914-M920 HydrophobicContact SD-SD 4.36Å; K917-M920 HydrophobicContact CB-CG 4.36Å; K917-M920 HydrophobicContact CB-SD 3.92Å; K917-M920 HydrophobicContact CD-SD 4.29Å; K917-M920 HydrophobicContact CG-SD 4.12Å; G918-M920 PolarHBondContact O-N 2.93Å; M920-T922 HydrophobicContact CB-CG2 4.36Å
921R94.2Very high86.1Confident84 Ų8470.9 Ų70.932%0.31738%0.379SS..EExtended strand (participates in β ladder)trans-76.6131.7171.3-159.7172.6164.2-140.40.7109.6E892 E908 M911 F923E892-R921 IonicContact OE1-CZ 3.88Å; E892-R921 IonicContact OE1-NH1 3Å; E892-R921 PolarHBondContact OE1-NH1 2.95Å; E908-R921 VanDerWaalsContact CD-NH2 3.32Å; E908-R921 IonicContact OE1-CZ 3.46Å; E908-R921 IonicContact OE1-NE 2.73Å; E908-R921 PolarHBondContact OE1-NE 3.4Å; E908-R921 IonicContact OE1-NH2 3.32Å; E908-R921 PolarHBondContact OE1-NH2 3.15Å; E908-R921 IonicContact OE2-CZ 3.66Å; E908-R921 IonicContact OE2-NE 3.69Å; E908-R921 IonicContact OE2-NH2 2.78Å; E908-R921 PolarHBondContact OE2-NH2 3.47Å; M911-R921 HydrophobicContact CE-CB 4.03Å; M911-R921 HydrophobicContact CE-CG 4.32Å; M911-R921 HydrophobicContact SD-CB 3.68Å; M911-R921 HydrophobicContact SD-CG 4.21Å; M911-R921 PolarHBondContact SD-N 3.42Å; R921-F923 HydrophobicContact CG-CE2 4.5Å
922T95.7Very high83.7Confident0 Ų069.5 Ų69.50%040%0.395CS..EExtended strand (participates in β ladder)trans-141.9163.5-17263.10000113.1M879 H889 R909 G910 V912 M914 M920M879-T922 HydrophobicContact CE-CG2 4.3Å; M879-T922 HydrophobicContact SD-CG2 3.94Å; H889-T922 WeakPolarHBondContact NE2-CB 3.5Å; H889-T922 WeakPolarHBondContact NE2-CG2 3.31Å; H889-T922 PolarHBondContact NE2-OG1 3.13Å; R909-T922 WeakPolarHBondContact CB-O 3.46Å; R909-T922 PolarHBondContact N-O 3.18Å; G910-T922 PolarHBondContact O-N 3.38Å; G910-T922 VanDerWaalsContact O-N 3.09Å; G910-T922 PolarHBondContact O-OG1 2.86Å; V912-T922 WeakPolarHBondContact CG2-OG1 3.36Å; M914-T922 HydrophobicContact CE-CG2 3.97Å; M920-T922 HydrophobicContact CB-CG2 4.36Å
923F97.2Very high81Confident13 Ų1372.6 Ų72.66%0.05742%0.422CS..EExtended strand (participates in β ladder)trans-135.8156.2-171.3-58-98000111.4C890 E892 M895 L906 E907 E908 R921C890-F923 PolarHBondContact N-O 3.22Å; C890-F923 PolarHBondContact O-N 2.95Å; E892-F923 HydrophobicContact CB-CE2 4.02Å; E892-F923 HydrophobicContact CG-CE2 4.09Å; M895-F923 HydrophobicContact CB-CD2 3.72Å; M895-F923 HydrophobicContact CB-CE2 4.1Å; M895-F923 HydrophobicContact CB-CG 4.07Å; M895-F923 HydrophobicContact CE-CD2 4.46Å; M895-F923 HydrophobicContact CE-CE1 3.89Å; M895-F923 HydrophobicContact CE-CE2 3.71Å; M895-F923 HydrophobicContact CE-CZ 3.39Å; M895-F923 HydrophobicContact CG-CD1 3.98Å; M895-F923 HydrophobicContact CG-CD2 3.9Å; M895-F923 HydrophobicContact CG-CE1 4.17Å; M895-F923 HydrophobicContact CG-CE2 4.11Å; M895-F923 HydrophobicContact CG-CG 3.87Å; M895-F923 HydrophobicContact CG-CZ 4.25Å; L906-F923 HydrophobicContact CD2-CB 4.31Å; E907-F923 CarbonylContact O-C 3.41Å; E907-F923 VanDerWaalsContact O-CA 3.22Å; E907-F923 WeakPolarHBondContact O-CA 3.45Å; E908-F923 HydrophobicContact CB-CD1 3.93Å; E908-F923 HydrophobicContact CB-CE1 3.78Å; E908-F923 HydrophobicContact CG-CD1 4.31Å; E908-F923 HydrophobicContact CG-CE1 3.91Å; E908-F923 HydrophobicContact CG-CZ 4.42Å; R921-F923 HydrophobicContact CG-CE2 4.5Å
924W96.7Very high78.4Confident14 Ų1474.4 Ų74.45%0.05343%0.432CS..EExtended strand (participates in β ladder)trans-98.7128.2168.2-60.6117.6000109.5L884 K887 I888 H889 L906 E907 R909 L926L884-W924 HydrophobicContact CB-CH2 3.9Å; L884-W924 HydrophobicContact CB-CZ2 4.48Å; L884-W924 HydrophobicContact CB-CZ3 4.49Å; L884-W924 HydrophobicContact CD1-CH2 3.94Å; L884-W924 HydrophobicContact CD1-CZ2 3.68Å; L884-W924 HydrophobicContact CG-CH2 3.81Å; L884-W924 HydrophobicContact CG-CZ2 4.05Å; K887-W924 HydrophobicContact CB-CD2 4.45Å; K887-W924 HydrophobicContact CB-CE3 3.65Å; K887-W924 HydrophobicContact CB-CH2 4.36Å; K887-W924 HydrophobicContact CB-CZ3 3.59Å; K887-W924 HydrophobicContact CD-CD2 3.88Å; K887-W924 HydrophobicContact CD-CE3 3.92Å; K887-W924 HydrophobicContact CD-CG 4.34Å; K887-W924 HydrophobicContact CD-CH2 4.45Å; K887-W924 HydrophobicContact CD-CZ2 4.4Å; K887-W924 HydrophobicContact CD-CZ3 4.21Å; K887-W924 HydrophobicContact CG-CE3 4.44Å; I888-W924 WeakPolarHBondContact O-CA 3.25Å; H889-W924 HydrophobicContact CB-CE3 4.19Å; H889-W924 HydrophobicContact CB-CH2 4.41Å; H889-W924 HydrophobicContact CB-CZ3 3.64Å; H889-W924 AromaticContact CG-CZ3 3.92Å; L906-W924 CarbonylContact C-O 3.47Å; L906-W924 VanDerWaalsContact CA-O 3.32Å; L906-W924 WeakPolarHBondContact CA-O 3.5Å; E907-W924 HydrophobicContact CB-CB 4.39Å; E907-W924 PolarHBondContact N-O 2.83Å; E907-W924 PolarHBondContact O-N 2.76Å; R909-W924 HydrophobicContact CG-CZ2 3.93Å; R909-W924 VanDerWaalsContact NH1-CH2 3.31Å; W924-L926 HydrophobicContact CB-CD2 4.22Å
925L96.1Very high76.3Confident7 Ų780.7 Ų80.74%0.03747%0.47CS..EExtended strand (participates in β ladder)trans-85114.6167.1176.567.2000108.8A820 L824 I849 I888 L898 Y904 L906A820-L925 HydrophobicContact CB-CD2 3.68Å; L824-L925 HydrophobicContact CD1-CD2 4.25Å; L824-L925 HydrophobicContact CD1-CG 4.44Å; L824-L925 HydrophobicContact CD2-CG 4.4Å; L824-L925 HydrophobicContact CG-CD2 4.12Å; L824-L925 HydrophobicContact CG-CG 4.43Å; I849-L925 HydrophobicContact CD1-CD2 4.14Å; I888-L925 HydrophobicContact CB-CB 4.04Å; I888-L925 HydrophobicContact CD1-CD2 4.18Å; I888-L925 HydrophobicContact CG2-CB 3.91Å; I888-L925 HydrophobicContact CG2-CD2 4.1Å; I888-L925 PolarHBondContact O-N 3.4Å; L898-L925 HydrophobicContact CD1-CD1 4.39Å; Y904-L925 HydrophobicContact CD1-CD1 4.1Å; Y904-L925 HydrophobicContact CG-CD1 4.47Å; L906-L925 HydrophobicContact CD2-CD1 4.33Å; L906-L925 HydrophobicContact CG-CD1 4.32Å
926L93Very high74.9Confident89 Ų8978.9 Ų78.947%0.46646%0.458SS..EExtended strand (participates in β ladder)trans-99.1-31-174.6-63179.1000113.4I905 E907 W924I905-L926 HydrophobicContact CB-CB 4.45Å; I905-L926 HydrophobicContact CG2-CB 4.2Å; I905-L926 HydrophobicContact CG2-CD1 4.33Å; I905-L926 PolarHBondContact O-N 2.95Å; E907-L926 HydrophobicContact CB-CD1 3.78Å; E907-L926 HydrophobicContact CB-CG 4.29Å; W924-L926 HydrophobicContact CB-CD2 4.22Å
927G92Very high72.9Confident13 Ų1383.4 Ų83.413%0.13446%0.458CS..EExtended strand (participates in β ladder)trans176-175-17600000114I905I905-G927 PolarHBondContact N-O 3.02Å
928K89.5Confident70.6Confident95 Ų9584.9 Ų84.941%0.41347%0.473SS..EExtended strand (participates in β ladder)trans-128.4129.8177.2-168.8178.4-173.6168.90108.5T821 L824 G903 Y904 E930T821-K928 HydrophobicContact CG2-CD 4.34Å; T821-K928 PolarHBondContact OG1-NZ 3.48Å; L824-K928 HydrophobicContact CD1-CB 4.23Å; G903-K928 CarbonylContact O-C 3.58Å; G903-K928 WeakPolarHBondContact O-CA 3.08Å; G903-K928 VanDerWaalsContact O-CG 3.26Å; G903-K928 WeakPolarHBondContact O-CG 3.48Å; Y904-K928 HydrophobicContact CD1-CB 4.19Å; Y904-K928 HydrophobicContact CD1-CD 4.38Å; Y904-K928 HydrophobicContact CD1-CG 4.06Å; Y904-K928 HydrophobicContact CE1-CB 4.32Å; Y904-K928 HydrophobicContact CE1-CD 3.75Å; Y904-K928 HydrophobicContact CE1-CG 3.93Å; Y904-K928 PolarHBondContact OH-NZ 3.45Å; Y904-K928 VanDerWaalsContact OH-NZ 3.16Å; K928-E930 PolarHBondContact O-N 3.18Å
929Q80.1Confident68.1Low122 Ų12291 Ų9157%0.5749%0.491SS*.  trans-68.1122.9173.2-71.4-175.97.300108.8G903 I905 T931G903-Q929 PolarHBondContact O-N 3.02Å; I905-Q929 HydrophobicContact CD1-CG 4.14Å; I905-Q929 HydrophobicContact CG1-CG 4.07Å; Q929-T931 PolarHBondContact O-N 3.1Å; Q929-T931 PolarHBondContact O-OG1 3.23Å
930E60Low65.4Low199 Ų19994.5 Ų94.593%0.9351%0.505SS*.  trans-65.295.9179.2-70.1-171.5169.300110.1K928K928-E930 PolarHBondContact O-N 3.18Å
931T45.5Very low62.6Low103 Ų103100.4 Ų100.463%0.63253%0.529SS*.  trans-109.586.7171.4410000108.3Q929 A933Q929-T931 PolarHBondContact O-N 3.1Å; Q929-T931 PolarHBondContact O-OG1 3.23Å; T931-A933 PolarHBondContact O-N 3.42Å
932G41.4Very low59.7Low86 Ų86102.8 Ų102.889%0.88755%0.553SS**  trans46.83.8155.900000121.5
933A34.5Very low57Low83 Ų83108.4 Ų108.469%0.68658%0.58SS**  trans-74136.3-173.900000110.1T931 V935T931-A933 PolarHBondContact O-N 3.42Å; A933-V935 PolarHBondContact O-N 3.42Å
934P35.9Very low54Low119 Ų119115 Ų11577%0.77361%0.611SS**  trans-62.3131-174.124.4-31.8000110.3R936P934-R936 PolarHBondContact O-N 2.73Å
935V42.1Very low51.2Low134 Ų134119 Ų11981%0.81264%0.639SS**  trans-47.2111.2168.9178.50000108A933 Q937A933-V935 PolarHBondContact O-N 3.42Å; V935-Q937 PolarHBondContact O-N 3.38Å
936R49.5Very low48.6Very low131 Ų131122 Ų12249%0.49466%0.655SS.*  trans-59.5110.2179-77.3-174.9176.6171.44.4107.3Q788 E818 P934 T938Q788-R936 WeakPolarHBondContact O-CD 3.16Å; Q788-R936 PolarHBondContact O-NH1 2.75Å; E818-R936 IonicContact OE1-CZ 3.57Å; E818-R936 IonicContact OE1-NH1 3.37Å; E818-R936 PolarHBondContact OE1-NH1 3.15Å; E818-R936 IonicContact OE1-NH2 2.8Å; E818-R936 PolarHBondContact OE1-NH2 3.33Å; E818-R936 IonicContact OE2-NH1 3.14Å; E818-R936 PolarHBondContact OE2-NH1 3.33Å; E818-R936 VanDerWaalsContact OE2-NH1 3.14Å; E818-R936 IonicContact OE2-NH2 3.95Å; P934-R936 PolarHBondContact O-N 2.73Å; R936-T938 PolarHBondContact O-N 3.48Å
937Q36.9Very low45.8Very low179 Ų179125.5 Ų125.584%0.83667%0.666SS**  trans-62.1124.2-176-72.9-177.3-0.800110V935 Q939V935-Q937 PolarHBondContact O-N 3.38Å; Q937-Q939 PolarHBondContact O-N 2.66Å
938T35.6Very low42.8Very low111 Ų111127.3 Ų127.368%0.68168%0.677SS**  trans-6594.5172.622.60000109.4R936 K940R936-T938 PolarHBondContact O-N 3.48Å; T938-K940 PolarHBondContact O-N 3.39Å
939Q32.8Very low40Very low165 Ų165129.2 Ų129.277%0.77170%0.702SS**  trans-67.3106.2165.5-76.9-167.71.400108.4Q937 K941Q937-Q939 PolarHBondContact O-N 2.66Å; Q939-K941 PolarHBondContact O-N 2.66Å
940K33.4Very low37.6Very low199 Ų199127.9 Ų127.987%0.86571%0.706SS**  trans-61.482.5166.4-79.9-179.1174.6177.20109.4T938T938-K940 PolarHBondContact O-N 3.39Å
941K32.3Very low36Very low162 Ų162122.6 Ų122.670%0.70469%0.691SS**  trans-10493.2154.4-87-175.7174.5178.90107.6Q939 E943Q939-K941 PolarHBondContact O-N 2.66Å; K941-E943 PolarHBondContact O-N 3.34Å; K941-E943 VanDerWaalsContact O-N 3.14Å
942T34Very low35.1Very low134 Ų134126 Ų12682%0.82270%0.698SS**  trans-70.698.9168.3-28.80000106.5
943E38.9Very low34.3Very low119 Ų119128 Ų12856%0.55669%0.693SS**PPolyproline II helixtrans-85121.4167.4-76.9-167.1179.100108.9R725 K941R725-E943 IonicContact CZ-OE2 3.71Å; R725-E943 IonicContact NE-OE2 2.7Å; R725-E943 IonicContact NH2-OE2 3.83Å; R725-E943 PolarHBondContact NH2-OE2 2.78Å; K941-E943 PolarHBondContact O-N 3.34Å; K941-E943 VanDerWaalsContact O-N 3.14Å
944E34.8Very low33.7Very low151 Ų151135.2 Ų135.271%0.70670%0.702SS**PPolyproline II helixtrans-66.5150.7176.2-75.4-175.2161.400111.9
945P37.6Very low33.1Very low99 Ų99135.3 Ų135.364%0.64370%0.703SS**PPolyproline II helixtrans-62.9137.5173.925.2-30.8000110.4F947 S948P945-F947 PolarHBondContact O-N 2.84Å; P945-S948 PolarHBondContact O-N 3.47Å
946L40.9Very low32.2Very low70 Ų70135.9 Ų135.937%0.36671%0.706SS.*SBendtrans-61.5-20.7-172.3-149.796.8000113.5L722L722-L946 HydrophobicContact CD1-CD2 3.94Å; L722-L946 HydrophobicContact CD2-CD2 3.67Å; L722-L946 HydrophobicContact CG-CD2 3.67Å
947F34.3Very low31Very low161 Ų161134.3 Ų134.371%0.70672%0.721SS**  trans-119.475.4176.6-61-76.9000109.2P945 F952P945-F947 PolarHBondContact O-N 2.84Å; F947-F952 HydrophobicContact CD1-CE2 4.42Å; F947-F952 HydrophobicContact CE1-CE2 4.47Å
948S29.2Very low30.3Very low52 Ų52133.9 Ų133.936%0.36472%0.722SS.*  trans-77.6133.2151.9850000106.6P945 S950P945-S948 PolarHBondContact O-N 3.47Å; S948-S950 PolarHBondContact O-N 2.84Å; S948-S950 PolarHBondContact OG-OG 3.32Å
949S30Very low29.8Very low134 Ų134137.7 Ų137.794%0.93773%0.729SS**THydrogen-bonded Turntrans-66.122.1-173.944.30000114.8
950S29.8Very low29.2Very low95 Ų95135.1 Ų135.166%0.66473%0.729SS**THydrogen-bonded Turntrans-112.1-8-169.364.10000115.7S948S948-S950 PolarHBondContact O-N 2.84Å; S948-S950 PolarHBondContact OG-OG 3.32Å
951S27Very low28.7Very low87 Ų87136.8 Ų136.861%0.60873%0.73SS**SBendtrans-107.81.1-175.253.90000116V953S951-V953 PolarHBondContact O-N 3.18Å
952F26.7Very low28.3Very low176 Ų176136.3 Ų136.377%0.77274%0.735SS**  trans-9468.2174-85.9-88.3000112F947F947-F952 HydrophobicContact CD1-CE2 4.42Å; F947-F952 HydrophobicContact CE1-CE2 4.47Å
953V24.2Very low27.7Very low128 Ų128140.1 Ų140.178%0.77674%0.74SS**  trans-128.590.6162.6-174.60000108.3S951S951-V953 PolarHBondContact O-N 3.18Å
954R22.8Very low26.9Very low233 Ų233137.8 Ų137.888%0.87975%0.748SS**  trans-77.2133.7159.2-88.4-175175.2-173.9-1.2108.1T956R954-T956 PolarHBondContact O-N 3.07Å
955P22.6Very low26.3Very low122 Ų122136.8 Ų136.879%0.79275%0.752SS**  trans-66.2120173.419.6-18.9000109.2A957P955-A957 PolarHBondContact O-N 3.45Å
956T22.1Very low25.6Very low145 Ų145140.6 Ų140.689%0.8977%0.767SS**  trans-74107.5169.930.50000108.5R954R954-T956 PolarHBondContact O-N 3.07Å
957A26.3Very low24.7Very low98 Ų98143 Ų14381%0.8178%0.784SS**  trans-102.1103.7162.800000109.7P955P955-A957 PolarHBondContact O-N 3.45Å
958M21.8Very low24.1Very low171 Ų171139.7 Ų139.784%0.84279%0.786SS**  trans-29.1140.9143.9-88.3177.5154.700112.1
959K24.4Very low23.8Very low190 Ų190146.4 Ų146.483%0.82681%0.81SS**  -166.4144.150.9-120.4162.2-168.61790110.9
960S21Very low23.4Very low111 Ų111145.6 Ų145.678%0.77680%0.804SS**  trans-57.5141.1165.8123.70000112.5
961R23.1Very low23.3Very low235 Ų235146.6 Ų146.689%0.88780%0.802SS**  trans-156.6117.9148.2-112.4175.8-177.1-175.7-0.4112.5
962N23.5Very low23.2Very low152 Ų152146 Ų14681%0.81380%0.802SS**  trans50.1105.4153.1-70.9-2.5000121.6G964N962-G964 PolarHBondContact O-N 3.31Å
963K21Very low23.6Very low213 Ų213141.9 Ų141.993%0.92678%0.784SS**  trans-65114149-71.6177.6173.4179.90109.7
964G23Very low24.4Very low71 Ų71140.3 Ų140.373%0.73276%0.764SS**  trans-89.5124.5159.900000109.7N962 L966N962-G964 PolarHBondContact O-N 3.31Å; G964-L966 PolarHBondContact O-N 3.21Å
965T21.4Very low25.2Very low129 Ų129129.3 Ų129.379%0.79172%0.723SS**  trans-57.9114.5176.514.40000112.6
966L22.2Very low26.5Very low180 Ų180124 Ų12494%0.94269%0.688SS**  trans-107.494.1153.5-93.6160.7000107.7G964G964-L966 PolarHBondContact O-N 3.21Å
967T21.4Very low27.8Very low120 Ų120117.1 Ų117.174%0.73665%0.646SS**  trans-83.4144.4168.437.80000110.3
968A22.5Very low28.6Very low91 Ų91112.4 Ų112.475%0.75261%0.607SS**SBendtrans89.879.1167.500000117.4
969F22.7Very low29.6Very low194 Ų194108.4 Ų108.485%0.85159%0.585SS**  -179.568.2120.4-97.4-74.1000108.3
970S22Very low30.3Very low117 Ų117103.4 Ų103.482%0.81856%0.563SS**  trans-98.485.6170.571.80000109.4
971N27.1Very low30.8Very low116 Ų116103 Ų10362%0.6255%0.553SS**  trans-94.8138.6162.3-77.8-19.6000108.3F973N971-F973 WeakPolarHBondContact O-CD2 3.25Å; N971-F973 WeakPolarHBondContact O-CE2 3.48Å; N971-F973 WeakPolarHBondContact O-CG 3.33Å; N971-F973 PolarHBondContact O-N 3.16Å
972A26Very low31.2Very low75 Ų7596.1 Ų96.162%0.6254%0.535SS*.  trans-64.8125.6-166.900000113.2
973F34.8Very low31.6Very low88 Ų8892.9 Ų92.939%0.38652%0.52SS..  trans-114.7133.8178.8-59-68.8000108.2E53 N971E53-F973 VanDerWaalsContact OE2-CA 3.3Å; E53-F973 WeakPolarHBondContact OE2-CA 3.27Å; E53-F973 WeakPolarHBondContact OE2-CB 3.32Å; N971-F973 WeakPolarHBondContact O-CD2 3.25Å; N971-F973 WeakPolarHBondContact O-CE2 3.48Å; N971-F973 WeakPolarHBondContact O-CG 3.33Å; N971-F973 PolarHBondContact O-N 3.16Å
974R40.6Very low32.3Very low96 Ų9685.9 Ų85.936%0.36250%0.496SS..  trans-144.4135.2-167.6-62.5178.1-179.5174.13.7112.2F24 E53 Y73F24-R974 HydrophobicContact CD2-CB 4.45Å; E53-R974 PolarHBondContact OE1-N 3.2Å; E53-R974 PolarHBondContact OE2-N 3.25Å; Y73-R974 PolarHBondContact OH-O 3.12Å
975T39.5Very low32.9Very low1 Ų186.8 Ų86.81%0.00648%0.481CS..EExtended strand (participates in β ladder)trans-79.4134.2170.2-63.90000111.3F24 A25 T27 P52 V977F24-T975 CarbonylContact C-O 3.54Å; F24-T975 VanDerWaalsContact CA-O 3.25Å; F24-T975 WeakPolarHBondContact CA-O 3.18Å; F24-T975 VanDerWaalsContact CB-O 3.27Å; F24-T975 WeakPolarHBondContact CB-O 3.47Å; A25-T975 PolarHBondContact N-O 2.82Å; A25-T975 WeakPolarHBondContact O-CA 3.38Å; A25-T975 WeakPolarHBondContact O-CB 3.11Å; A25-T975 PolarHBondContact O-N 3.25Å; A25-T975 VanDerWaalsContact O-O 3.1Å; T27-T975 WeakPolarHBondContact CG2-OG1 3.48Å; T27-T975 PolarHBondContact OG1-OG1 3.27Å; P52-T975 HydrophobicContact CB-CG2 4.37Å; T975-V977 HydrophobicContact CG2-CG2 4.22Å
976V49.7Very low33.6Very low11 Ų1184 Ų847%0.06746%0.461CS..EExtended strand (participates in β ladder)trans-123.9137.2-173.1-166.80000110.4M1 F22 F24 V50M1-V976 HydrophobicContact CB-CG1 4.12Å; M1-V976 HydrophobicContact CE-CG1 3.79Å; M1-V976 HydrophobicContact CG-CG1 3.51Å; M1-V976 HydrophobicContact SD-CB 4.08Å; M1-V976 HydrophobicContact SD-CG1 3.48Å; M1-V976 WeakPolarHBondContact SD-CG1 3.38Å; F22-V976 HydrophobicContact CB-CG1 4.27Å; F22-V976 HydrophobicContact CD2-CG1 3.61Å; F22-V976 HydrophobicContact CE2-CG1 4.37Å; F22-V976 HydrophobicContact CG-CG1 4.28Å; F24-V976 HydrophobicContact CB-CG1 4.36Å; F24-V976 HydrophobicContact CB-CG2 4.29Å; V50-V976 CarbonylContact C-O 3.54Å; V50-V976 VanDerWaalsContact C-O 3.27Å; V50-V976 VanDerWaalsContact CA-O 3.31Å; V50-V976 WeakPolarHBondContact CA-O 3.41Å; V50-V976 WeakPolarHBondContact CB-O 3.26Å; V50-V976 PolarHBondContact N-O 3.37Å; V50-V976 PolarHBondContact O-N 3.1Å
977V49.8Very low34.4Very low0 Ų077.1 Ų77.10%043%0.426CS..EExtended strand (participates in β ladder)trans-137.4133.2-168.9-173.70000109.9F22 I23 L41 V46 A48 F49 T975F22-V977 CarbonylContact C-O 3.48Å; F22-V977 WeakPolarHBondContact CA-O 3.39Å; F22-V977 WeakPolarHBondContact CB-O 3.17Å; I23-V977 HydrophobicContact CG1-CB 4.5Å; I23-V977 PolarHBondContact N-O 3.44Å; I23-V977 WeakPolarHBondContact O-CA 3.49Å; I23-V977 PolarHBondContact O-N 3Å; L41-V977 HydrophobicContact CB-CG2 4.45Å; L41-V977 HydrophobicContact CD1-CB 4.07Å; L41-V977 HydrophobicContact CD1-CG2 3.34Å; L41-V977 HydrophobicContact CG-CG2 4.43Å; V46-V977 HydrophobicContact CB-CG1 3.37Å; V46-V977 HydrophobicContact CG1-CB 4.25Å; V46-V977 HydrophobicContact CG1-CG1 3.44Å; V46-V977 VanDerWaalsContact CG1-CG1 3.44Å; V46-V977 HydrophobicContact CG2-CG1 3.57Å; A48-V977 WeakPolarHBondContact O-CG1 3.45Å; F49-V977 HydrophobicContact CD1-CB 4.3Å; F49-V977 HydrophobicContact CD1-CG1 3.62Å; F49-V977 HydrophobicContact CD1-CG2 3.58Å; F49-V977 HydrophobicContact CE1-CG1 3.85Å; F49-V977 HydrophobicContact CE1-CG2 4.06Å; F49-V977 HydrophobicContact CG-CG1 4.35Å; T975-V977 HydrophobicContact CG2-CG2 4.22Å
978L43.4Very low35.4Very low0 Ų073.8 Ų73.80%040%0.402CS..EExtended strand (participates in β ladder)trans-85.3138.1-176.5-73.5169.4000110.5M1 I5 D21 F22 T47 A48 V50 Y292M1-L978 HydrophobicContact CE-CD1 4.19Å; M1-L978 HydrophobicContact CE-CD2 3.28Å; M1-L978 HydrophobicContact CE-CG 3.51Å; I5-L978 HydrophobicContact CD1-CD2 3.72Å; I5-L978 HydrophobicContact CG1-CD2 4.08Å; D21-L978 WeakPolarHBondContact O-CA 3.48Å; F22-L978 HydrophobicContact CB-CD2 4.42Å; T47-L978 PolarHBondContact N-O 3.36Å; T47-L978 VanDerWaalsContact N-O 3.17Å; A48-L978 HydrophobicContact CB-CB 4.37Å; A48-L978 PolarHBondContact O-N 2.79Å; V50-L978 HydrophobicContact CG2-CD1 4.01Å; V50-L978 HydrophobicContact CG2-CG 4.27Å; Y292-L978 HydrophobicContact CD1-CD1 3.29Å; Y292-L978 HydrophobicContact CE1-CD1 3.64Å; Y292-L978 HydrophobicContact CG-CD1 3.98Å
979K42.6Very low36.5Very low86 Ų8672.4 Ų72.437%0.37437%0.373SS..EExtended strand (participates in β ladder)trans-118.3131.2173.1-168180177.1-171.70108.1D21D21-K979 PolarHBondContact N-O 3.23Å; D21-K979 PolarHBondContact O-N 3.07Å
980F40Very low37.8Very low85 Ų8561.4 Ų61.437%0.37333%0.33SS..  trans-85.70171.7-123.2-112.4000111.3Y18 L20 T47 L296 I300Y18-F980 AromaticContact CD1-CD1 3.93Å; Y18-F980 HydrophobicContact CD1-CD1 3.93Å; Y18-F980 AromaticContact CD1-CE1 3.29Å; Y18-F980 HydrophobicContact CD1-CE1 3.29Å; Y18-F980 HydrophobicContact CD1-CZ 4.18Å; Y18-F980 HydrophobicContact CD2-CE1 4.43Å; Y18-F980 HydrophobicContact CE1-CD1 4.45Å; Y18-F980 AromaticContact CE1-CE1 3.84Å; Y18-F980 HydrophobicContact CE1-CE1 3.84Å; Y18-F980 AromaticContact CG-CE1 3.62Å; Y18-F980 HydrophobicContact CG-CE1 3.62Å; Y18-F980 HydrophobicContact CG-CZ 4.05Å; L20-F980 HydrophobicContact CD2-CD2 3.76Å; L20-F980 HydrophobicContact CD2-CE2 3.49Å; L20-F980 VanDerWaalsContact CD2-CE2 3.49Å; T47-F980 HydrophobicContact CG2-CB 3.79Å; T47-F980 PolarHBondContact OG1-N 2.83Å; L296-F980 HydrophobicContact CD2-CD2 4.11Å; L296-F980 HydrophobicContact CD2-CE1 4.44Å; L296-F980 HydrophobicContact CD2-CE2 3.05Å; L296-F980 HydrophobicContact CD2-CZ 3.26Å; L296-F980 HydrophobicContact CG-CE2 4.37Å; L296-F980 HydrophobicContact CG-CZ 4.21Å; I300-F980 HydrophobicContact CD1-CZ 4.46Å

Retrieved 980 of 980 residues in 507.3 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).