A0A087YC35_POEFO Loading...

Leucine rich repeat containing 28

AlphaFold DB , UniProt , Accession A0A087YC35, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 366 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M60.8Low81.4Confident146 Ų14684.1 Ų84.172%0.71944%0.444SS*.  0-56.80-84.2-168-97.400112.5T3 E4 L5M1-T3 PolarHBondContact O-N 2.85Å; M1-E4 PolarHBondContact O-N 2.75Å; M1-L5 WeakPolarHBondContact O-CB 3.4Å; M1-L5 PolarHBondContact O-N 3.07Å
2A63.5Low82.2Confident83 Ų8377.2 Ų77.269%0.68641%0.408SS*.Hα-helixtrans-61.3-39.9-178.200000114.3H6A2-H6 WeakPolarHBondContact O-CB 3.3Å; A2-H6 PolarHBondContact O-N 2.8Å
3T72.7Confident82.7Confident107 Ų10777.5 Ų77.566%0.65640%0.404SS*.Hα-helixtrans-65.4-46.9176.322.60000112.8M1 L5 H6 E7M1-T3 PolarHBondContact O-N 2.85Å; T3-L5 VanDerWaalsContact C-N 3.34Å; T3-L5 PolarHBondContact O-N 2.98Å; T3-H6 PolarHBondContact O-N 3.39Å; T3-E7 WeakPolarHBondContact O-CG 3.49Å; T3-E7 PolarHBondContact O-N 3.07Å
4E82.4Confident83.1Confident92 Ų9280.9 Ų80.943%0.4342%0.417SS..Hα-helixtrans-63.4-38.3177.7-169.1-163.314900112.3M1 T8 K25M1-E4 PolarHBondContact O-N 2.75Å; E4-T8 WeakPolarHBondContact O-CB 3.27Å; E4-T8 PolarHBondContact O-N 3.37Å; E4-T8 PolarHBondContact O-OG1 2.72Å; E4-K25 IonicContact OE1-NZ 2.72Å; E4-K25 PolarHBondContact OE1-NZ 3.11Å
5L87Confident83.7Confident22 Ų2283.7 Ų83.712%0.11543%0.427CS..Hα-helixtrans-63.7-44.9173.9179.966.5000111.1M1 T3 T8 I9 L22 L27 P31M1-L5 WeakPolarHBondContact O-CB 3.4Å; M1-L5 PolarHBondContact O-N 3.07Å; T3-L5 VanDerWaalsContact C-N 3.34Å; T3-L5 PolarHBondContact O-N 2.98Å; L5-T8 PolarHBondContact O-N 3.1Å; L5-I9 HydrophobicContact CD1-CD1 3.99Å; L5-I9 HydrophobicContact CD1-CG1 4.44Å; L5-I9 HydrophobicContact CG-CD1 3.92Å; L5-I9 VanDerWaalsContact O-CG1 3.27Å; L5-I9 WeakPolarHBondContact O-CG1 3.26Å; L5-I9 PolarHBondContact O-N 3.31Å; L5-L22 HydrophobicContact CD1-CD1 4.32Å; L5-L22 HydrophobicContact CD1-CD2 3.63Å; L5-L27 HydrophobicContact CD2-CD2 3.64Å; L5-P31 HydrophobicContact CD2-CB 4.11Å
6H85.8Confident84.2Confident102 Ų10288.4 Ų88.447%0.47244%0.438SS..Hα-helixtrans-62.7-45.1178.5-169.671.4000111.7A2 T3 I9 F10A2-H6 WeakPolarHBondContact O-CB 3.3Å; A2-H6 PolarHBondContact O-N 2.8Å; T3-H6 PolarHBondContact O-N 3.39Å; H6-I9 PolarHBondContact O-N 2.68Å; H6-F10 WeakPolarHBondContact O-CB 3.46Å; H6-F10 PolarHBondContact O-N 3.05Å
7E86.8Confident84.8Confident125 Ų12587.1 Ų87.158%0.58443%0.43SS*.Hα-helixtrans-61.3-44175.2-74.8174.8-177.900111.9T3 I9 F10 M11T3-E7 WeakPolarHBondContact O-CG 3.49Å; T3-E7 PolarHBondContact O-N 3.07Å; E7-I9 VanDerWaalsContact C-N 3.35Å; E7-I9 PolarHBondContact O-N 3.24Å; E7-F10 PolarHBondContact O-N 2.84Å; E7-M11 WeakPolarHBondContact O-CB 3.33Å; E7-M11 VanDerWaalsContact O-CG 3.3Å; E7-M11 WeakPolarHBondContact O-CG 3.38Å; E7-M11 PolarHBondContact O-N 2.9Å
8T89.3Confident85.4Confident49 Ų4988.7 Ų88.730%0.30143%0.434SS..Hα-helixtrans-60.1-46.1177.7-56.10000111.2E4 L5 A12 L20 L22E4-T8 WeakPolarHBondContact O-CB 3.27Å; E4-T8 PolarHBondContact O-N 3.37Å; E4-T8 PolarHBondContact O-OG1 2.72Å; L5-T8 PolarHBondContact O-N 3.1Å; T8-A12 VanDerWaalsContact O-CB 3.31Å; T8-A12 WeakPolarHBondContact O-CB 3.46Å; T8-A12 PolarHBondContact O-N 3.11Å; T8-L20 HydrophobicContact CG2-CD1 4.08Å; T8-L22 HydrophobicContact CG2-CD2 4.43Å
9I89.4Confident86Confident7 Ų787.3 Ų87.34%0.03643%0.429CS..Hα-helixtrans-67.2-40.6178.8-67.1170.6000110.9L5 H6 E7 A12 K13 P31 E33 L34L5-I9 HydrophobicContact CD1-CD1 3.99Å; L5-I9 HydrophobicContact CD1-CG1 4.44Å; L5-I9 HydrophobicContact CG-CD1 3.92Å; L5-I9 VanDerWaalsContact O-CG1 3.27Å; L5-I9 WeakPolarHBondContact O-CG1 3.26Å; L5-I9 PolarHBondContact O-N 3.31Å; H6-I9 PolarHBondContact O-N 2.68Å; E7-I9 VanDerWaalsContact C-N 3.35Å; E7-I9 PolarHBondContact O-N 3.24Å; I9-A12 PolarHBondContact O-N 3.48Å; I9-K13 WeakPolarHBondContact O-CB 3.32Å; I9-K13 PolarHBondContact O-N 2.8Å; I9-P31 HydrophobicContact CD1-CB 4Å; I9-P31 HydrophobicContact CD1-CG 4.4Å; I9-E33 HydrophobicContact CD1-CB 3.91Å; I9-E33 HydrophobicContact CG2-CB 4.16Å; I9-L34 HydrophobicContact CB-CD2 4.45Å; I9-L34 HydrophobicContact CD1-CD2 4Å; I9-L34 HydrophobicContact CD1-CG 4.06Å; I9-L34 HydrophobicContact CG1-CD2 3.83Å; I9-L34 HydrophobicContact CG1-CG 4.44Å; I9-L34 HydrophobicContact CG2-CD2 3.88Å
10F89.2Confident86.5Confident108 Ų10883.2 Ų83.247%0.47441%0.409SS..Hα-helixtrans-61.6-48.6177.6-180-92.9000111.5H6 E7 K13 Q14H6-F10 WeakPolarHBondContact O-CB 3.46Å; H6-F10 PolarHBondContact O-N 3.05Å; E7-F10 PolarHBondContact O-N 2.84Å; F10-K13 PolarHBondContact O-N 2.9Å; F10-Q14 PolarHBondContact O-N 3.05Å
11M88.9Confident86.9Confident84 Ų8484.9 Ų84.941%0.41441%0.414SS..Hα-helixtrans-62.9-43.6176.8-69.1-61.9164.700111.5E7 K13 Q14 E15E7-M11 WeakPolarHBondContact O-CB 3.33Å; E7-M11 VanDerWaalsContact O-CG 3.3Å; E7-M11 WeakPolarHBondContact O-CG 3.38Å; E7-M11 PolarHBondContact O-N 2.9Å; M11-K13 PolarHBondContact O-N 3.28Å; M11-Q14 PolarHBondContact O-N 2.69Å; M11-E15 WeakPolarHBondContact O-CB 3.47Å; M11-E15 PolarHBondContact O-N 3.29Å
12A90.3Very high88.5Confident1 Ų177.9 Ų77.91%0.00838%0.38CS..Hα-helixtrans-59.5-36.7176.500000112.7T8 I9 R16 H17 L20 L40T8-A12 VanDerWaalsContact O-CB 3.31Å; T8-A12 WeakPolarHBondContact O-CB 3.46Å; T8-A12 PolarHBondContact O-N 3.11Å; I9-A12 PolarHBondContact O-N 3.48Å; A12-R16 PolarHBondContact O-N 3.12Å; A12-R16 VanDerWaalsContact O-N 3.15Å; A12-H17 HydrophobicContact CB-CB 4.11Å; A12-H17 PolarHBondContact O-N 3.2Å; A12-L20 HydrophobicContact CB-CD1 3.87Å; A12-L40 HydrophobicContact CB-CD2 4.1Å
13K88.8Confident90Very high81 Ų8175.3 Ų75.335%0.35235%0.354SS..Hα-helixtrans-71-44.7175.7-172.7174.9178.9176.70111.8I9 F10 M11 D37I9-K13 WeakPolarHBondContact O-CB 3.32Å; I9-K13 PolarHBondContact O-N 2.8Å; F10-K13 PolarHBondContact O-N 2.9Å; M11-K13 PolarHBondContact O-N 3.28Å; K13-D37 IonicContact NZ-OD2 2.69Å; K13-D37 PolarHBondContact NZ-OD2 3.34Å
14Q89.3Confident90.9Very high126 Ų12676 Ų7659%0.58935%0.346SS*.Hα-helixtrans-66.6-43-178.6-170.417322.700112.1F10 M11 R16F10-Q14 PolarHBondContact O-N 3.05Å; M11-Q14 PolarHBondContact O-N 2.69Å; Q14-R16 VanDerWaalsContact C-N 3.35Å
15E91.8Very high91.3Very high123 Ų12374.4 Ų74.458%0.57534%0.337SS*.THydrogen-bonded Turntrans-90.22.3-177.5-63.5-174.4176.200113.6M11 H17M11-E15 WeakPolarHBondContact O-CB 3.47Å; M11-E15 PolarHBondContact O-N 3.29Å; E15-H17 VanDerWaalsContact C-N 3.35Å; E15-H17 WeakPolarHBondContact CB-NE2 3.36Å; E15-H17 PolarHBondContact O-N 3.01Å; E15-H17 IonicContact OE2-CD2 3.8Å; E15-H17 IonicContact OE2-CE1 3.68Å; E15-H17 IonicContact OE2-NE2 3.31Å; E15-H17 PolarHBondContact OE2-NE2 3.38Å
16R91.4Very high91.5Very high159 Ų15978.6 Ų78.660%0.636%0.36SS*.THydrogen-bonded Turntrans55.447.1177.7-56.2-179.3172.6-173.7-2.7112.6A12 Q14 K18 F42A12-R16 PolarHBondContact O-N 3.12Å; A12-R16 VanDerWaalsContact O-N 3.15Å; Q14-R16 VanDerWaalsContact C-N 3.35Å; R16-K18 PolarHBondContact O-N 3.02Å; R16-F42 HydrophobicContact CB-CB 4.15Å; R16-F42 HydrophobicContact CB-CD1 4.31Å; R16-F42 HydrophobicContact CB-CD2 3.73Å; R16-F42 HydrophobicContact CB-CE2 4.22Å; R16-F42 HydrophobicContact CB-CG 3.79Å; R16-F42 HydrophobicContact CG-CD2 3.64Å; R16-F42 HydrophobicContact CG-CE2 3.65Å; R16-F42 HydrophobicContact CG-CG 4.16Å; R16-F42 HydrophobicContact CG-CZ 4.16Å
17H93.9Very high91.7Very high66 Ų6674.8 Ų74.831%0.30634%0.343SS..  trans-61.3134.3-179.8-71.5178.9000111.3A12 E15A12-H17 HydrophobicContact CB-CB 4.11Å; A12-H17 PolarHBondContact O-N 3.2Å; E15-H17 VanDerWaalsContact C-N 3.35Å; E15-H17 WeakPolarHBondContact CB-NE2 3.36Å; E15-H17 PolarHBondContact O-N 3.01Å; E15-H17 IonicContact OE2-CD2 3.8Å; E15-H17 IonicContact OE2-CE1 3.68Å; E15-H17 IonicContact OE2-NE2 3.31Å; E15-H17 PolarHBondContact OE2-NE2 3.38Å
18K96.1Very high92Very high115 Ų11573.9 Ų73.950%0.534%0.342SS..SBendtrans-80.7-23.9172-67.6-178.3168.8-138.90112.7R16 E44 R45R16-K18 PolarHBondContact O-N 3.02Å; K18-E44 HydrophobicContact CB-CB 4.38Å; K18-E44 HydrophobicContact CB-CG 4.32Å; K18-E44 WeakPolarHBondContact CE-OE1 3.25Å; K18-E44 HydrophobicContact CG-CG 4.4Å; K18-E44 IonicContact NZ-OE1 3.77Å; K18-E44 PolarHBondContact NZ-OE1 3.21Å; K18-E44 IonicContact NZ-OE2 3.54Å; K18-E44 CarbonylContact O-C 3.5Å; K18-E44 WeakPolarHBondContact O-CA 3.2Å; K18-E44 PolarHBondContact O-N 2.93Å; K18-R45 PolarHBondContact O-N 3.04Å
19N96.7Very high92Very high62 Ų6277.8 Ų77.833%0.33236%0.36SS..EExtended strand (participates in β ladder)trans-125.1133-175.7-56.3-29.8000109.1F21 R45N19-F21 HydrophobicContact CB-CE2 4.07Å; N19-F21 HydrophobicContact CB-CZ 4.4Å; N19-R45 CarbonylContact C-O 3.38Å; N19-R45 WeakPolarHBondContact CA-O 3.39Å; N19-R45 HydrophobicContact CB-CB 4.46Å; N19-R45 WeakPolarHBondContact OD1-CB 3.24Å; N19-R45 VanDerWaalsContact OD1-CD 3.3Å; N19-R45 WeakPolarHBondContact OD1-CD 2.88Å; N19-R45 WeakPolarHBondContact OD1-CG 3.08Å; N19-R45 PolarHBondContact OD1-NH1 3.02Å
20L96Very high92.2Very high5 Ų577.9 Ų77.93%0.02636%0.36CS..EExtended strand (participates in β ladder)trans-130.5127.1177.2-176.263.5000110.8T8 A12 L22 L34 L40 L43 R45 L46 Y47T8-L20 HydrophobicContact CG2-CD1 4.08Å; A12-L20 HydrophobicContact CB-CD1 3.87Å; L20-L22 HydrophobicContact CD1-CD2 4.26Å; L20-L22 HydrophobicContact CD2-CD1 4.03Å; L20-L22 HydrophobicContact CD2-CD2 4.44Å; L20-L22 HydrophobicContact CD2-CG 4.18Å; L20-L22 HydrophobicContact CG-CD1 4.41Å; L20-L22 HydrophobicContact CG-CD2 4.22Å; L20-L22 HydrophobicContact CG-CG 4.02Å; L20-L34 HydrophobicContact CD2-CD1 4.48Å; L20-L34 HydrophobicContact CD2-CD2 3.43Å; L20-L34 VanDerWaalsContact CD2-CD2 3.43Å; L20-L40 HydrophobicContact CD2-CD2 4.28Å; L20-L43 HydrophobicContact CB-CD1 3.51Å; L20-L43 HydrophobicContact CB-CD2 4.29Å; L20-R45 PolarHBondContact N-O 3.17Å; L20-L46 HydrophobicContact CB-CD1 4.19Å; L20-L46 HydrophobicContact CD2-CD1 4.12Å; L20-L46 HydrophobicContact CG-CD1 4.31Å; L20-Y47 PolarHBondContact O-N 3Å
21F95.6Very high92.2Very high119 Ų11973 Ų7352%0.52234%0.34SS..EExtended strand (participates in β ladder)trans-111106.7-177.7-59-86.2000110.6N19 Y47N19-F21 HydrophobicContact CB-CE2 4.07Å; N19-F21 HydrophobicContact CB-CZ 4.4Å; F21-Y47 AromaticContact CD1-CD2 3.45Å; F21-Y47 HydrophobicContact CD1-CD2 3.45Å; F21-Y47 VanDerWaalsContact CD1-CD2 3.45Å; F21-Y47 HydrophobicContact CD1-CE2 4.07Å; F21-Y47 AromaticContact CD1-CG 3.77Å; F21-Y47 HydrophobicContact CD1-CG 3.77Å; F21-Y47 HydrophobicContact CE1-CD1 4.42Å; F21-Y47 AromaticContact CE1-CD2 3.34Å; F21-Y47 HydrophobicContact CE1-CD2 3.34Å; F21-Y47 AromaticContact CE1-CE2 3.45Å; F21-Y47 HydrophobicContact CE1-CE2 3.45Å; F21-Y47 VanDerWaalsContact CE1-CE2 3.45Å; F21-Y47 AromaticContact CE1-CG 3.88Å; F21-Y47 HydrophobicContact CE1-CG 3.88Å; F21-Y47 HydrophobicContact CG-CD2 4.24Å; F21-Y47 HydrophobicContact CZ-CD2 4.06Å; F21-Y47 AromaticContact CZ-CE2 3.87Å; F21-Y47 HydrophobicContact CZ-CE2 3.87Å
22L94.7Very high92.1Very high0 Ų072.7 Ų72.70%034%0.342CS..  trans-117.832.4176.1-55.3-179.4000111.3L5 T8 L20 L27 P31 L34 L46 Y47 M48 N51L5-L22 HydrophobicContact CD1-CD1 4.32Å; L5-L22 HydrophobicContact CD1-CD2 3.63Å; T8-L22 HydrophobicContact CG2-CD2 4.43Å; L20-L22 HydrophobicContact CD1-CD2 4.26Å; L20-L22 HydrophobicContact CD2-CD1 4.03Å; L20-L22 HydrophobicContact CD2-CD2 4.44Å; L20-L22 HydrophobicContact CD2-CG 4.18Å; L20-L22 HydrophobicContact CG-CD1 4.41Å; L20-L22 HydrophobicContact CG-CD2 4.22Å; L20-L22 HydrophobicContact CG-CG 4.02Å; L22-L27 HydrophobicContact CB-CD1 4.31Å; L22-P31 HydrophobicContact CD1-CG 3.97Å; L22-L34 HydrophobicContact CD1-CD1 3.91Å; L22-L46 HydrophobicContact CD1-CD1 4.39Å; L22-Y47 CarbonylContact C-O 3.6Å; L22-Y47 WeakPolarHBondContact CA-O 3.45Å; L22-Y47 PolarHBondContact N-O 3.1Å; L22-M48 HydrophobicContact CB-CE 4.2Å; L22-M48 HydrophobicContact CB-CG 4.17Å; L22-M48 HydrophobicContact CD1-CE 3.84Å; L22-M48 HydrophobicContact CD1-SD 4.44Å; L22-N51 PolarHBondContact O-ND2 3.42Å
23N93.5Very high91.9Very high28 Ų2875.3 Ų75.315%0.1535%0.354CS..THydrogen-bonded Turntrans-73.9145.9-178.9-57.1-38.4000110.9K25 Y47 M48 K49N23-K25 VanDerWaalsContact C-N 3.28Å; N23-K25 PolarHBondContact O-N 3.17Å; N23-Y47 VanDerWaalsContact OD1-CB 3.26Å; N23-Y47 WeakPolarHBondContact OD1-CB 3.34Å; N23-Y47 PolarHBondContact OD1-O 3.11Å; N23-M48 PolarHBondContact OD1-N 3.22Å; N23-K49 WeakPolarHBondContact CA-O 3.45Å; N23-K49 HydrophobicContact CB-CG 3.88Å; N23-K49 WeakPolarHBondContact OD1-CG 3.5Å; N23-K49 PolarHBondContact OD1-N 2.92Å
24Y92.8Very high91.8Very high122 Ų12271.4 Ų71.448%0.47834%0.337SS..THydrogen-bonded Turntrans58.534173.2-44.6-94.7000114.3K49 R50Y24-K49 HydrophobicContact CE2-CD 4.46Å; Y24-K49 HydrophobicContact CE2-CG 4.28Å; Y24-K49 PolarHBondContact N-O 3.31Å; Y24-K49 VanDerWaalsContact N-O 3.08Å; Y24-K49 VanDerWaalsContact OH-CE 3.27Å; Y24-K49 WeakPolarHBondContact OH-CE 3.48Å; Y24-R50 WeakPolarHBondContact CA-O 3.36Å; Y24-R50 HydrophobicContact CD1-CB 3.79Å; Y24-R50 HydrophobicContact CD1-CG 4.43Å; Y24-R50 HydrophobicContact CE1-CB 3.93Å; Y24-R50 HydrophobicContact CE1-CG 4.11Å; Y24-R50 HydrophobicContact CG-CB 4.41Å; Y24-R50 PolarHBondContact N-O 3.06Å
25K90.2Very high91.8Very high58 Ų5866 Ų6625%0.25231%0.312SS..SBendtrans-100.68.8-177.4-68.4-64.2-171.4-179.20113E4 N23 L27 N51E4-K25 IonicContact OE1-NZ 2.72Å; E4-K25 PolarHBondContact OE1-NZ 3.11Å; N23-K25 VanDerWaalsContact C-N 3.28Å; N23-K25 PolarHBondContact O-N 3.17Å; K25-L27 HydrophobicContact CB-CD1 4.1Å; K25-L27 HydrophobicContact CB-CD2 4.05Å; K25-L27 HydrophobicContact CB-CG 3.74Å; K25-L27 PolarHBondContact O-N 3.25Å; K25-N51 WeakPolarHBondContact CA-OD1 3.05Å; K25-N51 PolarHBondContact N-OD1 2.95Å
26N90.4Very high91.4Very high111 Ų11165.2 Ų65.259%0.59431%0.307SS*.  trans49.738.5-176.6-66.9-13.9000112.7N28 N51N26-N28 PolarHBondContact O-N 3.32Å; N26-N51 PolarHBondContact N-OD1 3.05Å; N26-N51 VanDerWaalsContact N-OD1 3.1Å
27L91.6Very high91.1Very high21 Ų2163.1 Ų63.111%0.1131%0.307CS..  trans-75.8119.9-179.1-56.7173.7000109.9L5 L22 K25 P31 M48 N51 S52 L53L5-L27 HydrophobicContact CD2-CD2 3.64Å; L22-L27 HydrophobicContact CB-CD1 4.31Å; K25-L27 HydrophobicContact CB-CD1 4.1Å; K25-L27 HydrophobicContact CB-CD2 4.05Å; K25-L27 HydrophobicContact CB-CG 3.74Å; K25-L27 PolarHBondContact O-N 3.25Å; L27-P31 HydrophobicContact CD1-CG 4.45Å; L27-M48 HydrophobicContact CD1-CE 3.6Å; L27-N51 HydrophobicContact CB-CB 4.07Å; L27-N51 PolarHBondContact N-OD1 3.03Å; L27-S52 CarbonylContact O-C 3.02Å; L27-S52 VanDerWaalsContact O-C 3.24Å; L27-S52 WeakPolarHBondContact O-CA 3.32Å; L27-S52 PolarHBondContact O-N 3.25Å; L27-L53 HydrophobicContact CB-CD2 3.99Å; L27-L53 PolarHBondContact O-N 2.89Å
28N91.7Very high90.4Very high106 Ų10666.8 Ų66.857%0.56733%0.325SS*.SBendtrans-86-25174.6-62.3-28.2000112.3N26 S52N26-N28 PolarHBondContact O-N 3.32Å; N28-S52 WeakPolarHBondContact OD1-CB 3.28Å
29I90.9Very high89.6Confident132 Ų13261.7 Ų61.768%0.67730%0.304SS*.SBendtrans-130.4146-176.9-55174.3000108L53I29-L53 WeakPolarHBondContact O-CD2 3.28Å
30F92Very high89.2Confident8 Ų859.1 Ų59.14%0.03529%0.291CS..  trans-60.5127.7173.5-170-81.9000109.2V32 L34 L35 L46 M48 L56 P57 L60F30-V32 PolarHBondContact O-N 3.3Å; F30-L34 HydrophobicContact CE1-CB 4.05Å; F30-L34 HydrophobicContact CE1-CD1 3.8Å; F30-L34 HydrophobicContact CE1-CG 4.48Å; F30-L34 HydrophobicContact CZ-CD1 3.72Å; F30-L35 HydrophobicContact CD1-CD1 3.99Å; F30-L35 HydrophobicContact CD1-CG 4.34Å; F30-L35 HydrophobicContact CE1-CD1 4.02Å; F30-L35 HydrophobicContact CE1-CD2 3.83Å; F30-L35 HydrophobicContact CE1-CG 3.92Å; F30-L46 HydrophobicContact CE2-CD2 4.19Å; F30-L46 HydrophobicContact CZ-CD2 4.1Å; F30-M48 HydrophobicContact CD2-CE 4.36Å; F30-M48 HydrophobicContact CD2-SD 3.88Å; F30-M48 HydrophobicContact CE2-CE 4.42Å; F30-M48 HydrophobicContact CE2-SD 3.49Å; F30-M48 WeakPolarHBondContact CE2-SD 3.44Å; F30-M48 HydrophobicContact CZ-SD 4.24Å; F30-L56 HydrophobicContact CD2-CD2 3.9Å; F30-L56 HydrophobicContact CE2-CD2 4.3Å; F30-P57 HydrophobicContact CB-CG 4.42Å; F30-P57 HydrophobicContact CD1-CG 3.69Å; F30-P57 HydrophobicContact CE1-CG 4.04Å; F30-P57 HydrophobicContact CG-CG 3.97Å; F30-L60 HydrophobicContact CE1-CD1 4.02Å; F30-L60 HydrophobicContact CE2-CD1 3.83Å; F30-L60 HydrophobicContact CZ-CD1 3.38Å
31P90.6Very high88.8Confident7 Ų761.9 Ų61.95%0.04530%0.303CS..  trans-66.4107.3-174.923.8-30000110.2L5 I9 L22 L27 E33 L34 M48L5-P31 HydrophobicContact CD2-CB 4.11Å; I9-P31 HydrophobicContact CD1-CB 4Å; I9-P31 HydrophobicContact CD1-CG 4.4Å; L22-P31 HydrophobicContact CD1-CG 3.97Å; L27-P31 HydrophobicContact CD1-CG 4.45Å; P31-E33 PolarHBondContact O-N 3.33Å; P31-E33 VanDerWaalsContact O-N 3.13Å; P31-L34 HydrophobicContact CG-CD1 3.69Å; P31-L34 HydrophobicContact CG-CG 4.01Å; P31-L34 WeakPolarHBondContact O-CB 3.39Å; P31-L34 PolarHBondContact O-N 3.41Å; P31-M48 HydrophobicContact CG-CE 3.81Å
32V86.3Confident88.7Confident76 Ų7660.9 Ų60.946%0.46130%0.299SS..G310 helixtrans-61.9-21.6-177.9-65.80000111.9F30 L34 L35 K36F30-V32 PolarHBondContact O-N 3.3Å; V32-L34 PolarHBondContact O-N 3.4Å; V32-L35 WeakPolarHBondContact O-CA 3.38Å; V32-L35 WeakPolarHBondContact O-CB 3.41Å; V32-L35 PolarHBondContact O-N 2.97Å; V32-K36 PolarHBondContact O-N 2.88Å
33E86.3Confident88.7Confident56 Ų5660.9 Ų60.926%0.26230%0.299SS..G310 helixtrans-56.2-31.5172.8-67.965.6-139.600112.7I9 P31 L35 K36I9-E33 HydrophobicContact CD1-CB 3.91Å; I9-E33 HydrophobicContact CG2-CB 4.16Å; P31-E33 PolarHBondContact O-N 3.33Å; P31-E33 VanDerWaalsContact O-N 3.13Å; E33-L35 PolarHBondContact O-N 3.15Å; E33-K36 IonicContact OE1-NZ 3.88Å; E33-K36 PolarHBondContact OE1-NZ 3.2Å
34L86.6Confident88.9Confident0 Ų061 Ų610%030%0.299CS..G310 helixtrans-66.2-22174.6-68.4179.2000113.1I9 L20 L22 F30 P31 V32 L40 L46I9-L34 HydrophobicContact CB-CD2 4.45Å; I9-L34 HydrophobicContact CD1-CD2 4Å; I9-L34 HydrophobicContact CD1-CG 4.06Å; I9-L34 HydrophobicContact CG1-CD2 3.83Å; I9-L34 HydrophobicContact CG1-CG 4.44Å; I9-L34 HydrophobicContact CG2-CD2 3.88Å; L20-L34 HydrophobicContact CD2-CD1 4.48Å; L20-L34 HydrophobicContact CD2-CD2 3.43Å; L20-L34 VanDerWaalsContact CD2-CD2 3.43Å; L22-L34 HydrophobicContact CD1-CD1 3.91Å; F30-L34 HydrophobicContact CE1-CB 4.05Å; F30-L34 HydrophobicContact CE1-CD1 3.8Å; F30-L34 HydrophobicContact CE1-CG 4.48Å; F30-L34 HydrophobicContact CZ-CD1 3.72Å; P31-L34 HydrophobicContact CG-CD1 3.69Å; P31-L34 HydrophobicContact CG-CG 4.01Å; P31-L34 WeakPolarHBondContact O-CB 3.39Å; P31-L34 PolarHBondContact O-N 3.41Å; V32-L34 PolarHBondContact O-N 3.4Å; L34-L40 HydrophobicContact CD2-CD1 3.9Å; L34-L40 HydrophobicContact CD2-CD2 4.22Å; L34-L46 HydrophobicContact CD1-CD1 4.43Å; L34-L46 HydrophobicContact CD1-CD2 4.47Å
35L88.1Confident89.2Confident12 Ų1258.2 Ų58.26%0.06329%0.287CS..G310 helixtrans-107.4-5.6-171-48.9172.1000112.4F30 V32 E33 P57 N59 L60 K63F30-L35 HydrophobicContact CD1-CD1 3.99Å; F30-L35 HydrophobicContact CD1-CG 4.34Å; F30-L35 HydrophobicContact CE1-CD1 4.02Å; F30-L35 HydrophobicContact CE1-CD2 3.83Å; F30-L35 HydrophobicContact CE1-CG 3.92Å; V32-L35 WeakPolarHBondContact O-CA 3.38Å; V32-L35 WeakPolarHBondContact O-CB 3.41Å; V32-L35 PolarHBondContact O-N 2.97Å; E33-L35 PolarHBondContact O-N 3.15Å; L35-P57 HydrophobicContact CD1-CB 3.54Å; L35-P57 HydrophobicContact CD1-CG 3.3Å; L35-P57 HydrophobicContact CD2-CG 4.31Å; L35-P57 HydrophobicContact CG-CG 4.38Å; L35-N59 WeakPolarHBondContact CD1-OD1 3.36Å; L35-L60 HydrophobicContact CD2-CD1 4.23Å; L35-K63 HydrophobicContact CB-CB 4.42Å; L35-K63 HydrophobicContact CB-CG 4.11Å; L35-K63 HydrophobicContact CD2-CB 3.89Å; L35-K63 HydrophobicContact CD2-CG 4.32Å; L35-K63 WeakPolarHBondContact O-CD 3.48Å; L35-K63 VanDerWaalsContact O-CE 3.26Å; L35-K63 WeakPolarHBondContact O-CE 3.3Å; L35-K63 WeakPolarHBondContact O-CG 3.29Å
36K84.3Confident89.5Confident106 Ų10655.4 Ų55.446%0.46128%0.275SS..SBendtrans-70.4153.2177.8-71.8-179.8-173.9168.60111.1V32 E33 G39V32-K36 PolarHBondContact O-N 2.88Å; E33-K36 IonicContact OE1-NZ 3.88Å; E33-K36 PolarHBondContact OE1-NZ 3.2Å; K36-G39 PolarHBondContact O-N 2.75Å
37D85.3Confident89.8Confident115 Ų11552.3 Ų52.362%0.61526%0.256SS*.THydrogen-bonded Turntrans53.3-134.9-179.2-43-41.9000112K13 G39 K63K13-D37 IonicContact NZ-OD2 2.69Å; K13-D37 PolarHBondContact NZ-OD2 3.34Å; D37-G39 PolarHBondContact O-N 2.93Å; D37-K63 WeakPolarHBondContact O-CE 3.5Å; D37-K63 PolarHBondContact O-NZ 3.04Å
38E78.8Confident90Very high144 Ų14451.3 Ų51.367%0.67325%0.25SS*.THydrogen-bonded Turntrans-70.6-4.8176.2-62.7-59153.900114.3Q41E38-Q41 PolarHBondContact O-NE2 3.01Å
39G79.4Confident90.2Very high7 Ų749.1 Ų49.17%0.07224%0.236CC..  trans70.6-176.7-171.600000113.5K36 D37 Q41K36-G39 PolarHBondContact O-N 2.75Å; D37-G39 PolarHBondContact O-N 2.93Å; G39-Q41 PolarHBondContact O-N 3.15Å
40L87.6Confident90.3Very high9 Ų949.8 Ų49.85%0.04723%0.23CC..  trans-90.976.2176.3-76.375.8000110.5A12 L20 L34 F42 L43 K63 L64A12-L40 HydrophobicContact CB-CD2 4.1Å; L20-L40 HydrophobicContact CD2-CD2 4.28Å; L34-L40 HydrophobicContact CD2-CD1 3.9Å; L34-L40 HydrophobicContact CD2-CD2 4.22Å; L40-F42 PolarHBondContact O-N 3.02Å; L40-F42 VanDerWaalsContact O-N 3.11Å; L40-L43 HydrophobicContact CB-CB 3.91Å; L40-L43 VanDerWaalsContact O-CB 3.28Å; L40-L43 WeakPolarHBondContact O-CB 3.38Å; L40-L43 PolarHBondContact O-N 3.14Å; L40-K63 PolarHBondContact N-O 2.88Å; L40-L64 HydrophobicContact CB-CD2 3.7Å
41Q88.4Confident90.4Very high62 Ų6249.8 Ų49.829%0.2923%0.23SC..THydrogen-bonded Turntrans-58.2-24.7-178.1-65.5-67.5-21.700114.3E38 G39 N66E38-Q41 PolarHBondContact O-NE2 3.01Å; G39-Q41 PolarHBondContact O-N 3.15Å; Q41-N66 WeakPolarHBondContact O-CB 3.25Å; Q41-N66 PolarHBondContact O-ND2 3.18Å
42F92.4Very high90.7Very high98 Ų9851.4 Ų51.443%0.4324%0.242SC..THydrogen-bonded Turntrans-87.3-9.3179.9-58-80.7000113.7R16 L40 E44R16-F42 HydrophobicContact CB-CB 4.15Å; R16-F42 HydrophobicContact CB-CD1 4.31Å; R16-F42 HydrophobicContact CB-CD2 3.73Å; R16-F42 HydrophobicContact CB-CE2 4.22Å; R16-F42 HydrophobicContact CB-CG 3.79Å; R16-F42 HydrophobicContact CG-CD2 3.64Å; R16-F42 HydrophobicContact CG-CE2 3.65Å; R16-F42 HydrophobicContact CG-CG 4.16Å; R16-F42 HydrophobicContact CG-CZ 4.16Å; L40-F42 PolarHBondContact O-N 3.02Å; L40-F42 VanDerWaalsContact O-N 3.11Å; F42-E44 PolarHBondContact O-N 3.23Å
43L96.1Very high91.1Very high0 Ų047.8 Ų47.80%022%0.22CC..  trans-72.8121.5-173.6-166.771.2000110.5L20 L40 L46 L64 N66 L67L20-L43 HydrophobicContact CB-CD1 3.51Å; L20-L43 HydrophobicContact CB-CD2 4.29Å; L40-L43 HydrophobicContact CB-CB 3.91Å; L40-L43 VanDerWaalsContact O-CB 3.28Å; L40-L43 WeakPolarHBondContact O-CB 3.38Å; L40-L43 PolarHBondContact O-N 3.14Å; L43-L46 HydrophobicContact CD2-CB 4.07Å; L43-L46 HydrophobicContact CD2-CD1 4.27Å; L43-L64 HydrophobicContact CB-CD2 4.41Å; L43-L64 HydrophobicContact CD2-CD1 4.42Å; L43-L64 HydrophobicContact CD2-CD2 4.04Å; L43-N66 CarbonylContact O-C 3.4Å; L43-N66 VanDerWaalsContact O-C 3.29Å; L43-L67 HydrophobicContact CD2-CD2 4.12Å; L43-L67 HydrophobicContact CG-CD2 4.1Å; L43-L67 PolarHBondContact O-N 3.02Å
44E97.4Very high91.5Very high30 Ų3048.8 Ų48.814%0.1423%0.229CC..  trans-103.9-31177.3-65.6177.1-175.200111.3K18 F42 I68 E69K18-E44 HydrophobicContact CB-CB 4.38Å; K18-E44 HydrophobicContact CB-CG 4.32Å; K18-E44 WeakPolarHBondContact CE-OE1 3.25Å; K18-E44 HydrophobicContact CG-CG 4.4Å; K18-E44 IonicContact NZ-OE1 3.77Å; K18-E44 PolarHBondContact NZ-OE1 3.21Å; K18-E44 IonicContact NZ-OE2 3.54Å; K18-E44 CarbonylContact O-C 3.5Å; K18-E44 WeakPolarHBondContact O-CA 3.2Å; K18-E44 PolarHBondContact O-N 2.93Å; F42-E44 PolarHBondContact O-N 3.23Å; E44-I68 HydrophobicContact CB-CD1 4Å; E44-I68 HydrophobicContact CB-CG1 4.36Å; E44-I68 HydrophobicContact CG-CD1 3.98Å; E44-I68 WeakPolarHBondContact O-CA 3.27Å; E44-I68 PolarHBondContact O-N 2.98Å; E44-E69 PolarHBondContact O-N 3.41Å
45R98.2Very high91.8Very high64 Ų6451.9 Ų51.924%0.24225%0.248CC..EExtended strand (participates in β ladder)trans-133.2124-176.7-52.7-175.8-175.269.65.8111.6K18 N19 L20 Y47 E69K18-R45 PolarHBondContact O-N 3.04Å; N19-R45 CarbonylContact C-O 3.38Å; N19-R45 WeakPolarHBondContact CA-O 3.39Å; N19-R45 HydrophobicContact CB-CB 4.46Å; N19-R45 WeakPolarHBondContact OD1-CB 3.24Å; N19-R45 VanDerWaalsContact OD1-CD 3.3Å; N19-R45 WeakPolarHBondContact OD1-CD 2.88Å; N19-R45 WeakPolarHBondContact OD1-CG 3.08Å; N19-R45 PolarHBondContact OD1-NH1 3.02Å; L20-R45 PolarHBondContact N-O 3.17Å; R45-Y47 HydrophobicContact CB-CD2 4.48Å; R45-Y47 HydrophobicContact CB-CE2 3.67Å; R45-Y47 WeakPolarHBondContact CD-OH 3.25Å; R45-E69 WeakPolarHBondContact CA-O 3.29Å; R45-E69 HydrophobicContact CB-CB 4.31Å; R45-E69 WeakPolarHBondContact CD-OE1 3.28Å; R45-E69 HydrophobicContact CG-CB 4Å; R45-E69 HydrophobicContact CG-CG 4.12Å; R45-E69 IonicContact CZ-OE1 2.75Å; R45-E69 IonicContact NE-OE1 3.61Å; R45-E69 PolarHBondContact NE-OE1 3.27Å; R45-E69 IonicContact NE-OE2 2.75Å; R45-E69 IonicContact NH2-OE1 3.03Å
46L97.4Very high92.1Very high0 Ų051.5 Ų51.50%025%0.246CC..EExtended strand (participates in β ladder)trans-120119.7176.9179.758.3000110.2L20 L22 F30 L34 L43 M48 L64 L67 E69 L70 Y71L20-L46 HydrophobicContact CB-CD1 4.19Å; L20-L46 HydrophobicContact CD2-CD1 4.12Å; L20-L46 HydrophobicContact CG-CD1 4.31Å; L22-L46 HydrophobicContact CD1-CD1 4.39Å; F30-L46 HydrophobicContact CE2-CD2 4.19Å; F30-L46 HydrophobicContact CZ-CD2 4.1Å; L34-L46 HydrophobicContact CD1-CD1 4.43Å; L34-L46 HydrophobicContact CD1-CD2 4.47Å; L43-L46 HydrophobicContact CD2-CB 4.07Å; L43-L46 HydrophobicContact CD2-CD1 4.27Å; L46-M48 HydrophobicContact CD1-CG 3.84Å; L46-M48 HydrophobicContact CD1-SD 4.18Å; L46-M48 HydrophobicContact CD2-CG 4.34Å; L46-M48 HydrophobicContact CD2-SD 3.97Å; L46-M48 HydrophobicContact CG-CG 3.86Å; L46-M48 HydrophobicContact CG-SD 4.15Å; L46-L64 HydrophobicContact CD2-CD1 4.06Å; L46-L67 HydrophobicContact CB-CD2 3.88Å; L46-E69 PolarHBondContact N-O 2.83Å; L46-L70 HydrophobicContact CB-CD1 4.01Å; L46-L70 HydrophobicContact CD2-CD1 3.92Å; L46-L70 HydrophobicContact CG-CD1 4.09Å; L46-Y71 PolarHBondContact O-N 3.21Å
47Y97.4Very high92.5Very high46 Ų4647.8 Ų47.818%0.1823%0.233CC..EExtended strand (participates in β ladder)trans-111.2117.4176.7-55.2-95.4000109.5L20 F21 L22 N23 R45 Y71L20-Y47 PolarHBondContact O-N 3Å; F21-Y47 AromaticContact CD1-CD2 3.45Å; F21-Y47 HydrophobicContact CD1-CD2 3.45Å; F21-Y47 VanDerWaalsContact CD1-CD2 3.45Å; F21-Y47 HydrophobicContact CD1-CE2 4.07Å; F21-Y47 AromaticContact CD1-CG 3.77Å; F21-Y47 HydrophobicContact CD1-CG 3.77Å; F21-Y47 HydrophobicContact CE1-CD1 4.42Å; F21-Y47 AromaticContact CE1-CD2 3.34Å; F21-Y47 HydrophobicContact CE1-CD2 3.34Å; F21-Y47 AromaticContact CE1-CE2 3.45Å; F21-Y47 HydrophobicContact CE1-CE2 3.45Å; F21-Y47 VanDerWaalsContact CE1-CE2 3.45Å; F21-Y47 AromaticContact CE1-CG 3.88Å; F21-Y47 HydrophobicContact CE1-CG 3.88Å; F21-Y47 HydrophobicContact CG-CD2 4.24Å; F21-Y47 HydrophobicContact CZ-CD2 4.06Å; F21-Y47 AromaticContact CZ-CE2 3.87Å; F21-Y47 HydrophobicContact CZ-CE2 3.87Å; L22-Y47 CarbonylContact C-O 3.6Å; L22-Y47 WeakPolarHBondContact CA-O 3.45Å; L22-Y47 PolarHBondContact N-O 3.1Å; N23-Y47 VanDerWaalsContact OD1-CB 3.26Å; N23-Y47 WeakPolarHBondContact OD1-CB 3.34Å; N23-Y47 PolarHBondContact OD1-O 3.11Å; R45-Y47 HydrophobicContact CB-CD2 4.48Å; R45-Y47 HydrophobicContact CB-CE2 3.67Å; R45-Y47 WeakPolarHBondContact CD-OH 3.25Å; Y47-Y71 AromaticContact CD1-CD2 3.26Å; Y47-Y71 HydrophobicContact CD1-CD2 3.26Å; Y47-Y71 AromaticContact CD1-CE2 3.92Å; Y47-Y71 HydrophobicContact CD1-CE2 3.92Å; Y47-Y71 AromaticContact CD1-CG 3.85Å; Y47-Y71 HydrophobicContact CD1-CG 3.85Å; Y47-Y71 AromaticContact CE1-CD2 3.12Å; Y47-Y71 HydrophobicContact CE1-CD2 3.12Å; Y47-Y71 AromaticContact CE1-CE2 3.26Å; Y47-Y71 HydrophobicContact CE1-CE2 3.26Å; Y47-Y71 HydrophobicContact CE1-CG 4.02Å; Y47-Y71 HydrophobicContact CG-CD2 4.15Å; Y47-Y71 AromaticContact CZ-CD2 3.93Å; Y47-Y71 AromaticContact CZ-CE2 3.82Å
48M95.9Very high92.8Very high0 Ų048.3 Ų48.30%024%0.236CC..  trans-133.537.8175.2-43.1-173.465.500112L22 N23 L27 F30 P31 L46 N51 L53 Y71 L72 N75L22-M48 HydrophobicContact CB-CE 4.2Å; L22-M48 HydrophobicContact CB-CG 4.17Å; L22-M48 HydrophobicContact CD1-CE 3.84Å; L22-M48 HydrophobicContact CD1-SD 4.44Å; N23-M48 PolarHBondContact OD1-N 3.22Å; L27-M48 HydrophobicContact CD1-CE 3.6Å; F30-M48 HydrophobicContact CD2-CE 4.36Å; F30-M48 HydrophobicContact CD2-SD 3.88Å; F30-M48 HydrophobicContact CE2-CE 4.42Å; F30-M48 HydrophobicContact CE2-SD 3.49Å; F30-M48 WeakPolarHBondContact CE2-SD 3.44Å; F30-M48 HydrophobicContact CZ-SD 4.24Å; P31-M48 HydrophobicContact CG-CE 3.81Å; L46-M48 HydrophobicContact CD1-CG 3.84Å; L46-M48 HydrophobicContact CD1-SD 4.18Å; L46-M48 HydrophobicContact CD2-CG 4.34Å; L46-M48 HydrophobicContact CD2-SD 3.97Å; L46-M48 HydrophobicContact CG-CG 3.86Å; L46-M48 HydrophobicContact CG-SD 4.15Å; M48-N51 PolarHBondContact O-ND2 3.23Å; M48-L53 HydrophobicContact CB-CD1 4.29Å; M48-L53 HydrophobicContact CE-CD1 4.05Å; M48-L53 HydrophobicContact SD-CD1 4.26Å; M48-Y71 PolarHBondContact N-O 3.24Å; M48-L72 HydrophobicContact CB-CD2 3.95Å; M48-L72 HydrophobicContact CG-CD2 4.24Å; M48-L72 HydrophobicContact SD-CD2 4.27Å; M48-N75 PolarHBondContact O-ND2 3.25Å
49K93.9Very high93.4Very high59 Ų5944.3 Ų44.326%0.25722%0.219SC..  trans-67.4152.2-179.479-172.8167.3175.10112.1N23 Y24 H73N23-K49 WeakPolarHBondContact CA-O 3.45Å; N23-K49 HydrophobicContact CB-CG 3.88Å; N23-K49 WeakPolarHBondContact OD1-CG 3.5Å; N23-K49 PolarHBondContact OD1-N 2.92Å; Y24-K49 HydrophobicContact CE2-CD 4.46Å; Y24-K49 HydrophobicContact CE2-CG 4.28Å; Y24-K49 PolarHBondContact N-O 3.31Å; Y24-K49 VanDerWaalsContact N-O 3.08Å; Y24-K49 VanDerWaalsContact OH-CE 3.27Å; Y24-K49 WeakPolarHBondContact OH-CE 3.48Å; K49-H73 WeakPolarHBondContact CA-O 3.22Å; K49-H73 VanDerWaalsContact CB-CE1 3.44Å; K49-H73 WeakPolarHBondContact CB-CE1 3.05Å; K49-H73 WeakPolarHBondContact CB-NE2 3.49Å; K49-H73 WeakPolarHBondContact CB-O 3.4Å; K49-H73 WeakPolarHBondContact CD-CE1 3.5Å; K49-H73 WeakPolarHBondContact CD-NE2 3.46Å
50R93.6Very high94Very high147 Ų14744 Ų4456%0.55522%0.216SC*.SBendtrans53.855.3177.2-72.3179.5170.7-166.28.4111.8Y24 H73 S74Y24-R50 WeakPolarHBondContact CA-O 3.36Å; Y24-R50 HydrophobicContact CD1-CB 3.79Å; Y24-R50 HydrophobicContact CD1-CG 4.43Å; Y24-R50 HydrophobicContact CE1-CB 3.93Å; Y24-R50 HydrophobicContact CE1-CG 4.11Å; Y24-R50 HydrophobicContact CG-CB 4.41Å; Y24-R50 PolarHBondContact N-O 3.06Å; R50-H73 PolarHBondContact N-O 3.35Å; R50-H73 VanDerWaalsContact N-O 3.11Å; R50-S74 WeakPolarHBondContact CA-O 3.48Å; R50-S74 PolarHBondContact N-O 2.8Å
51N95.1Very high94.2Very high8 Ų843.9 Ų43.94%0.04322%0.217CC..SBendtrans-117.7-163.8164.7-73.2-66.6000108L22 K25 N26 L27 M48 L53 S74 N75L22-N51 PolarHBondContact O-ND2 3.42Å; K25-N51 WeakPolarHBondContact CA-OD1 3.05Å; K25-N51 PolarHBondContact N-OD1 2.95Å; N26-N51 PolarHBondContact N-OD1 3.05Å; N26-N51 VanDerWaalsContact N-OD1 3.1Å; L27-N51 HydrophobicContact CB-CB 4.07Å; L27-N51 PolarHBondContact N-OD1 3.03Å; M48-N51 PolarHBondContact O-ND2 3.23Å; N51-L53 HydrophobicContact CB-CG 4.16Å; N51-S74 PolarHBondContact N-O 2.95Å; N51-N75 VanDerWaalsContact CA-OD1 3.29Å; N51-N75 WeakPolarHBondContact CA-OD1 3.34Å; N51-N75 WeakPolarHBondContact CB-OD1 3.4Å; N51-N75 PolarHBondContact N-OD1 3.08Å; N51-N75 PolarHBondContact O-OD1 2.77Å
52S95.6Very high94.4Very high41 Ų4147.4 Ų47.429%0.28723%0.233SC..  trans-125.832.9179.6-61.10000111.2L27 N28 T54 N75L27-S52 CarbonylContact O-C 3.02Å; L27-S52 VanDerWaalsContact O-C 3.24Å; L27-S52 WeakPolarHBondContact O-CA 3.32Å; L27-S52 PolarHBondContact O-N 3.25Å; N28-S52 WeakPolarHBondContact OD1-CB 3.28Å; S52-T54 PolarHBondContact O-N 3.32Å; S52-N75 PolarHBondContact N-OD1 2.98Å
53L95.4Very high94.4Very high0 Ų044.7 Ų44.70%022%0.221CC..  trans-63.9133179.6-57.3177000110.2L27 I29 M48 N51 L72 N75 N76 I77L27-L53 HydrophobicContact CB-CD2 3.99Å; L27-L53 PolarHBondContact O-N 2.89Å; I29-L53 WeakPolarHBondContact O-CD2 3.28Å; M48-L53 HydrophobicContact CB-CD1 4.29Å; M48-L53 HydrophobicContact CE-CD1 4.05Å; M48-L53 HydrophobicContact SD-CD1 4.26Å; N51-L53 HydrophobicContact CB-CG 4.16Å; L53-L72 HydrophobicContact CD1-CD2 4.16Å; L53-N75 HydrophobicContact CB-CB 4.26Å; L53-N75 WeakPolarHBondContact CB-OD1 3.46Å; L53-N75 WeakPolarHBondContact CG-OD1 3.24Å; L53-N75 PolarHBondContact N-OD1 2.73Å; L53-N75 VanDerWaalsContact N-OD1 3.09Å; L53-N76 CarbonylContact O-C 3.2Å; L53-N76 VanDerWaalsContact O-CA 3.27Å; L53-N76 WeakPolarHBondContact O-CA 3.42Å; L53-N76 PolarHBondContact O-N 3.14Å; L53-I77 HydrophobicContact CB-CG1 4.28Å; L53-I77 WeakPolarHBondContact O-CG1 3.28Å; L53-I77 PolarHBondContact O-N 2.9Å
54T94.1Very high94.3Very high76 Ų7644.7 Ų44.747%0.46622%0.221SC..  trans-102.4-23.3179.354.70000113.8S52 N76 I77 V78S52-T54 PolarHBondContact O-N 3.32Å; T54-N76 WeakPolarHBondContact CA-O 3.38Å; T54-N76 HydrophobicContact CG2-CB 4.33Å; T54-I77 WeakPolarHBondContact O-CA 3.46Å; T54-V78 PolarHBondContact O-N 2.77Å
55T93.4Very high94.1Very high65 Ų6545.3 Ų45.340%0.39923%0.227SC..BIsolated β-bridgetrans-151.5165.3179.2-168.40000110.8
56L93.7Very high94Very high4 Ų444.4 Ų44.42%0.02123%0.228CC..  trans-106.3153.2167.1-59174000110F30 L60 L72 I77 I80 P81F30-L56 HydrophobicContact CD2-CD2 3.9Å; F30-L56 HydrophobicContact CE2-CD2 4.3Å; L56-L60 HydrophobicContact CD1-CD2 4.31Å; L56-L72 HydrophobicContact CD1-CD1 3.5Å; L56-L72 VanDerWaalsContact CD1-CD1 3.5Å; L56-L72 HydrophobicContact CD2-CD1 3.63Å; L56-L72 HydrophobicContact CD2-CD2 4.16Å; L56-L72 HydrophobicContact CG-CD1 4.09Å; L56-I77 HydrophobicContact CD2-CD1 4.34Å; L56-I77 HydrophobicContact CG-CD1 4.44Å; L56-I80 HydrophobicContact CD1-CG2 4.39Å; L56-P81 HydrophobicContact CB-CG 3.93Å
57P93Very high94.1Very high28 Ų2844.4 Ų44.418%0.18223%0.228CC..  trans-78.9143.8-17931.2-33.3000111.9F30 L35 N59 L60F30-P57 HydrophobicContact CB-CG 4.42Å; F30-P57 HydrophobicContact CD1-CG 3.69Å; F30-P57 HydrophobicContact CE1-CG 4.04Å; F30-P57 HydrophobicContact CG-CG 3.97Å; L35-P57 HydrophobicContact CD1-CB 3.54Å; L35-P57 HydrophobicContact CD1-CG 3.3Å; L35-P57 HydrophobicContact CD2-CG 4.31Å; L35-P57 HydrophobicContact CG-CG 4.38Å; P57-N59 PolarHBondContact O-N 3.08Å; P57-L60 HydrophobicContact CG-CB 4.14Å; P57-L60 HydrophobicContact CG-CD1 4.24Å; P57-L60 VanDerWaalsContact O-CB 3.25Å; P57-L60 WeakPolarHBondContact O-CB 3.47Å; P57-L60 PolarHBondContact O-N 3.04Å; P57-L60 VanDerWaalsContact O-N 3.11Å
58D91.7Very high94.1Very high127 Ų12743.2 Ų43.268%0.67922%0.224SC*.THydrogen-bonded Turntrans-65.4-23.7-176.7-62.9-35.1000113.8P81 A83D58-P81 WeakPolarHBondContact OD1-CB 3.22Å; D58-A83 WeakPolarHBondContact O-CB 3.45Å
59N91.5Very high94.2Very high59 Ų5945 Ų4532%0.31623%0.232SC..THydrogen-bonded Turntrans-92.28.7178.263.6-0.4000113.4L35 P57 A61 Q62 K63L35-N59 WeakPolarHBondContact CD1-OD1 3.36Å; P57-N59 PolarHBondContact O-N 3.08Å; N59-A61 VanDerWaalsContact C-N 3.32Å; N59-A61 PolarHBondContact O-N 3.09Å; N59-Q62 WeakPolarHBondContact O-CB 3.21Å; N59-Q62 PolarHBondContact O-N 3.41Å; N59-Q62 VanDerWaalsContact O-N 3.1Å; N59-K63 PolarHBondContact O-N 3.3Å; N59-K63 VanDerWaalsContact O-N 3.07Å
60L92.3Very high94.4Very high1 Ų142.2 Ų42.21%0.00522%0.22CC..Hα-helixtrans-51.6-50.4-178.7-175.273.4000111.9F30 L35 L56 P57 Q62 K63 L64 L70 I84F30-L60 HydrophobicContact CE1-CD1 4.02Å; F30-L60 HydrophobicContact CE2-CD1 3.83Å; F30-L60 HydrophobicContact CZ-CD1 3.38Å; L35-L60 HydrophobicContact CD2-CD1 4.23Å; L56-L60 HydrophobicContact CD1-CD2 4.31Å; P57-L60 HydrophobicContact CG-CB 4.14Å; P57-L60 HydrophobicContact CG-CD1 4.24Å; P57-L60 VanDerWaalsContact O-CB 3.25Å; P57-L60 WeakPolarHBondContact O-CB 3.47Å; P57-L60 PolarHBondContact O-N 3.04Å; P57-L60 VanDerWaalsContact O-N 3.11Å; L60-Q62 VanDerWaalsContact C-N 3.3Å; L60-Q62 PolarHBondContact O-N 3.3Å; L60-K63 PolarHBondContact O-N 2.89Å; L60-L64 HydrophobicContact CD1-CD1 3.67Å; L60-L64 WeakPolarHBondContact O-CB 3.41Å; L60-L64 PolarHBondContact O-N 3.13Å; L60-L70 HydrophobicContact CD2-CD2 4.21Å; L60-I84 HydrophobicContact CD2-CD1 4.39Å
61A92Very high94.6Very high7 Ų737.1 Ų37.16%0.05820%0.201CC..Hα-helixtrans-69.6-27.3-17700000113.6N59 P65 A83 N86 L87N59-A61 VanDerWaalsContact C-N 3.32Å; N59-A61 PolarHBondContact O-N 3.09Å; A61-P65 WeakPolarHBondContact O-CA 3.36Å; A61-A83 WeakPolarHBondContact CB-O 3.4Å; A61-N86 HydrophobicContact CB-CB 3.76Å; A61-L87 HydrophobicContact CB-CD2 3.79Å; A61-L87 HydrophobicContact CB-CG 3.88Å
62Q91.8Very high94.8Very high136 Ų13636.7 Ų36.764%0.63620%0.199SC*.Hα-helixtrans-72.4-37.6175.2-171.3-174.912.700111.5N59 L60N59-Q62 WeakPolarHBondContact O-CB 3.21Å; N59-Q62 PolarHBondContact O-N 3.41Å; N59-Q62 VanDerWaalsContact O-N 3.1Å; L60-Q62 VanDerWaalsContact C-N 3.3Å; L60-Q62 PolarHBondContact O-N 3.3Å
63K93Very high94.8Very high41 Ų4136.7 Ų36.718%0.17820%0.195CC..Hα-helixtrans-90-22-175.1-63.3-62.1-179.1-170.70113.8L35 D37 L40 N59 L60L35-K63 HydrophobicContact CB-CB 4.42Å; L35-K63 HydrophobicContact CB-CG 4.11Å; L35-K63 HydrophobicContact CD2-CB 3.89Å; L35-K63 HydrophobicContact CD2-CG 4.32Å; L35-K63 WeakPolarHBondContact O-CD 3.48Å; L35-K63 VanDerWaalsContact O-CE 3.26Å; L35-K63 WeakPolarHBondContact O-CE 3.3Å; L35-K63 WeakPolarHBondContact O-CG 3.29Å; D37-K63 WeakPolarHBondContact O-CE 3.5Å; D37-K63 PolarHBondContact O-NZ 3.04Å; L40-K63 PolarHBondContact N-O 2.88Å; N59-K63 PolarHBondContact O-N 3.3Å; N59-K63 VanDerWaalsContact O-N 3.07Å; L60-K63 PolarHBondContact O-N 2.89Å
64L94.3Very high94.9Very high0 Ų038.4 Ų38.40%021%0.206CC..  trans-127.555.2178.7-54.1176.3000111.3L40 L43 L46 L60 N66 L67 L87L40-L64 HydrophobicContact CB-CD2 3.7Å; L43-L64 HydrophobicContact CB-CD2 4.41Å; L43-L64 HydrophobicContact CD2-CD1 4.42Å; L43-L64 HydrophobicContact CD2-CD2 4.04Å; L46-L64 HydrophobicContact CD2-CD1 4.06Å; L60-L64 HydrophobicContact CD1-CD1 3.67Å; L60-L64 WeakPolarHBondContact O-CB 3.41Å; L60-L64 PolarHBondContact O-N 3.13Å; L64-N66 PolarHBondContact O-N 3.08Å; L64-L67 HydrophobicContact CB-CD1 3.61Å; L64-L67 HydrophobicContact CB-CG 3.85Å; L64-L67 HydrophobicContact CD1-CD1 3.94Å; L64-L67 HydrophobicContact CG-CD1 4.44Å; L64-L67 WeakPolarHBondContact O-CG 3.28Å; L64-L67 PolarHBondContact O-N 3.17Å; L64-L87 VanDerWaalsContact O-CD2 3.3Å; L64-L87 WeakPolarHBondContact O-CD2 3.49Å
65P94Very high95.1Very high42 Ų4235 Ų3527%0.27319%0.186SC..THydrogen-bonded Turntrans-69.7-16.5-170.229.5-36.4000113.9A61A61-P65 WeakPolarHBondContact O-CA 3.36Å
66N95.9Very high95.2Very high46 Ų4635.9 Ų35.925%0.24619%0.188CC..THydrogen-bonded Turntrans-96.610.5-177.3-70.9-58.2000114.4Q41 L43 L64 I68 R89Q41-N66 WeakPolarHBondContact O-CB 3.25Å; Q41-N66 PolarHBondContact O-ND2 3.18Å; L43-N66 CarbonylContact O-C 3.4Å; L43-N66 VanDerWaalsContact O-C 3.29Å; L64-N66 PolarHBondContact O-N 3.08Å; N66-I68 PolarHBondContact O-N 3.34Å; N66-R89 PolarHBondContact OD1-NH1 3.15Å
67L97.6Very high95.4Very high0 Ų035.7 Ų35.70%019%0.187CC..  trans-60.9128176.4-75.1172.7000111.5L43 L46 L64 L87 R89 L90L43-L67 HydrophobicContact CD2-CD2 4.12Å; L43-L67 HydrophobicContact CG-CD2 4.1Å; L43-L67 PolarHBondContact O-N 3.02Å; L46-L67 HydrophobicContact CB-CD2 3.88Å; L64-L67 HydrophobicContact CB-CD1 3.61Å; L64-L67 HydrophobicContact CB-CG 3.85Å; L64-L67 HydrophobicContact CD1-CD1 3.94Å; L64-L67 HydrophobicContact CG-CD1 4.44Å; L64-L67 WeakPolarHBondContact O-CG 3.28Å; L64-L67 PolarHBondContact O-N 3.17Å; L67-L87 HydrophobicContact CB-CD2 4.29Å; L67-L87 HydrophobicContact CD1-CD1 4.44Å; L67-L87 HydrophobicContact CD1-CD2 4.3Å; L67-R89 CarbonylContact O-C 3.56Å; L67-R89 VanDerWaalsContact O-C 3.26Å; L67-L90 HydrophobicContact CB-CD1 4.1Å; L67-L90 WeakPolarHBondContact O-CA 3.22Å; L67-L90 PolarHBondContact O-N 2.96Å
68I98.3Very high95.6Very high21 Ų2137.4 Ų37.411%0.10820%0.196CC..SBendtrans-103.9-37.1172.4-61.8168.4000109.5E44 N66 Q91 S92E44-I68 HydrophobicContact CB-CD1 4Å; E44-I68 HydrophobicContact CB-CG1 4.36Å; E44-I68 HydrophobicContact CG-CD1 3.98Å; E44-I68 WeakPolarHBondContact O-CA 3.27Å; E44-I68 PolarHBondContact O-N 2.98Å; N66-I68 PolarHBondContact O-N 3.34Å; I68-Q91 HydrophobicContact CG2-CB 3.96Å; I68-Q91 HydrophobicContact CG2-CG 3.94Å; I68-Q91 PolarHBondContact O-N 2.68Å; I68-S92 PolarHBondContact O-N 2.98Å; I68-S92 VanDerWaalsContact O-N 3.08Å
69E98.6Very high95.7Very high37 Ų3736.3 Ų36.317%0.17319%0.19CC..EExtended strand (participates in β ladder)trans-132.4129.4-179.4-52.3176.5-146.500111.6E44 R45 L46 Y71 S92E44-E69 PolarHBondContact O-N 3.41Å; R45-E69 WeakPolarHBondContact CA-O 3.29Å; R45-E69 HydrophobicContact CB-CB 4.31Å; R45-E69 WeakPolarHBondContact CD-OE1 3.28Å; R45-E69 HydrophobicContact CG-CB 4Å; R45-E69 HydrophobicContact CG-CG 4.12Å; R45-E69 IonicContact CZ-OE1 2.75Å; R45-E69 IonicContact NE-OE1 3.61Å; R45-E69 PolarHBondContact NE-OE1 3.27Å; R45-E69 IonicContact NE-OE2 2.75Å; R45-E69 IonicContact NH2-OE1 3.03Å; L46-E69 PolarHBondContact N-O 2.83Å; E69-Y71 HydrophobicContact CB-CD2 4.3Å; E69-Y71 HydrophobicContact CB-CE2 3.58Å; E69-Y71 HydrophobicContact CG-CE2 4.37Å; E69-Y71 WeakPolarHBondContact OE2-CE2 3.22Å; E69-Y71 PolarHBondContact OE2-OH 2.93Å; E69-S92 WeakPolarHBondContact CA-O 3.22Å
70L98.2Very high95.8Very high0 Ų033.7 Ų33.70%018%0.175CC..EExtended strand (participates in β ladder)trans-128.8109.7177.5179.458.1000110L46 L60 L72 I84 L87 L90 S92 L93 D94L46-L70 HydrophobicContact CB-CD1 4.01Å; L46-L70 HydrophobicContact CD2-CD1 3.92Å; L46-L70 HydrophobicContact CG-CD1 4.09Å; L60-L70 HydrophobicContact CD2-CD2 4.21Å; L70-L72 HydrophobicContact CD1-CD1 3.99Å; L70-L72 HydrophobicContact CD1-CD2 4.18Å; L70-L72 HydrophobicContact CD1-CG 3.87Å; L70-L72 HydrophobicContact CD2-CD1 3.84Å; L70-L72 HydrophobicContact CG-CD1 3.78Å; L70-L72 HydrophobicContact CG-CG 3.96Å; L70-I84 HydrophobicContact CD2-CD1 3.97Å; L70-L87 HydrophobicContact CD2-CD1 4.48Å; L70-L90 HydrophobicContact CB-CD1 3.9Å; L70-S92 PolarHBondContact N-O 3.2Å; L70-L93 HydrophobicContact CB-CD1 4.04Å; L70-L93 HydrophobicContact CD2-CD1 3.92Å; L70-L93 HydrophobicContact CG-CD1 4.01Å; L70-D94 PolarHBondContact O-N 2.93Å
71Y98.2Very high95.9Very high40 Ų4034.1 Ų34.116%0.15718%0.178CC..EExtended strand (participates in β ladder)trans-109.6109.7179.3-60.1-84.9000110.8L46 Y47 M48 E69 S92 D94L46-Y71 PolarHBondContact O-N 3.21Å; Y47-Y71 AromaticContact CD1-CD2 3.26Å; Y47-Y71 HydrophobicContact CD1-CD2 3.26Å; Y47-Y71 AromaticContact CD1-CE2 3.92Å; Y47-Y71 HydrophobicContact CD1-CE2 3.92Å; Y47-Y71 AromaticContact CD1-CG 3.85Å; Y47-Y71 HydrophobicContact CD1-CG 3.85Å; Y47-Y71 AromaticContact CE1-CD2 3.12Å; Y47-Y71 HydrophobicContact CE1-CD2 3.12Å; Y47-Y71 AromaticContact CE1-CE2 3.26Å; Y47-Y71 HydrophobicContact CE1-CE2 3.26Å; Y47-Y71 HydrophobicContact CE1-CG 4.02Å; Y47-Y71 HydrophobicContact CG-CD2 4.15Å; Y47-Y71 AromaticContact CZ-CD2 3.93Å; Y47-Y71 AromaticContact CZ-CE2 3.82Å; M48-Y71 PolarHBondContact N-O 3.24Å; E69-Y71 HydrophobicContact CB-CD2 4.3Å; E69-Y71 HydrophobicContact CB-CE2 3.58Å; E69-Y71 HydrophobicContact CG-CE2 4.37Å; E69-Y71 WeakPolarHBondContact OE2-CE2 3.22Å; E69-Y71 PolarHBondContact OE2-OH 2.93Å; Y71-S92 PolarHBondContact OH-OG 3.13Å; Y71-D94 HydrophobicContact CD1-CB 3.54Å; Y71-D94 HydrophobicContact CE1-CB 4.17Å; Y71-D94 HydrophobicContact CG-CB 4.43Å
72L97.2Very high96.1Very high0 Ų039.9 Ų39.90%020%0.204CC..  trans-122.817.1-177.5-66.5169.9000111.9M48 L53 L56 L70 N75 I77 D94 L95 N98M48-L72 HydrophobicContact CB-CD2 3.95Å; M48-L72 HydrophobicContact CG-CD2 4.24Å; M48-L72 HydrophobicContact SD-CD2 4.27Å; L53-L72 HydrophobicContact CD1-CD2 4.16Å; L56-L72 HydrophobicContact CD1-CD1 3.5Å; L56-L72 VanDerWaalsContact CD1-CD1 3.5Å; L56-L72 HydrophobicContact CD2-CD1 3.63Å; L56-L72 HydrophobicContact CD2-CD2 4.16Å; L56-L72 HydrophobicContact CG-CD1 4.09Å; L70-L72 HydrophobicContact CD1-CD1 3.99Å; L70-L72 HydrophobicContact CD1-CD2 4.18Å; L70-L72 HydrophobicContact CD1-CG 3.87Å; L70-L72 HydrophobicContact CD2-CD1 3.84Å; L70-L72 HydrophobicContact CG-CD1 3.78Å; L70-L72 HydrophobicContact CG-CG 3.96Å; L72-N75 PolarHBondContact O-ND2 3.22Å; L72-I77 HydrophobicContact CB-CD1 3.92Å; L72-I77 HydrophobicContact CD1-CD1 4.09Å; L72-I77 HydrophobicContact CG-CD1 4.44Å; L72-D94 CarbonylContact C-O 3.2Å; L72-D94 WeakPolarHBondContact CA-O 3.25Å; L72-D94 PolarHBondContact N-O 2.75Å; L72-L95 HydrophobicContact CB-CD2 3.93Å; L72-L95 HydrophobicContact CD1-CD2 3.88Å; L72-N98 PolarHBondContact O-ND2 2.99Å; L72-N98 VanDerWaalsContact O-ND2 3.11Å
73H96.6Very high96.2Very high41 Ų4134.2 Ų34.219%0.1918%0.18CC..  trans-66.1150.8-175.874.280.4000112.8K49 R50 D94 S96K49-H73 WeakPolarHBondContact CA-O 3.22Å; K49-H73 VanDerWaalsContact CB-CE1 3.44Å; K49-H73 WeakPolarHBondContact CB-CE1 3.05Å; K49-H73 WeakPolarHBondContact CB-NE2 3.49Å; K49-H73 WeakPolarHBondContact CB-O 3.4Å; K49-H73 WeakPolarHBondContact CD-CE1 3.5Å; K49-H73 WeakPolarHBondContact CD-NE2 3.46Å; R50-H73 PolarHBondContact N-O 3.35Å; R50-H73 VanDerWaalsContact N-O 3.11Å; H73-D94 WeakPolarHBondContact CB-OD1 3.44Å; H73-D94 IonicContact CD2-OD2 2.73Å; H73-D94 PolarHBondContact N-O 2.94Å; H73-S96 CarbonylContact C-O 3.49Å; H73-S96 WeakPolarHBondContact CA-O 3.35Å; H73-S96 VanDerWaalsContact CB-O 3.24Å; H73-S96 WeakPolarHBondContact CB-O 3.49Å
74S97.5Very high96.3Very high35 Ų3532.3 Ų32.325%0.24517%0.172CC..SBendtrans60.355.4-175.5-47.80000112.2R50 N51 S96 N97R50-S74 WeakPolarHBondContact CA-O 3.48Å; R50-S74 PolarHBondContact N-O 2.8Å; N51-S74 PolarHBondContact N-O 2.95Å; S74-S96 PolarHBondContact N-O 2.96Å; S74-N97 CarbonylContact C-O 3.6Å; S74-N97 WeakPolarHBondContact CA-O 3.48Å; S74-N97 PolarHBondContact N-O 2.91Å
75N97.4Very high96.4Very high6 Ų632.5 Ų32.53%0.03217%0.174CC..SBendtrans-125.8-169.2170.5-83.9-79.4000108.9M48 N51 S52 L53 L72 I77 N97 N98M48-N75 PolarHBondContact O-ND2 3.25Å; N51-N75 VanDerWaalsContact CA-OD1 3.29Å; N51-N75 WeakPolarHBondContact CA-OD1 3.34Å; N51-N75 WeakPolarHBondContact CB-OD1 3.4Å; N51-N75 PolarHBondContact N-OD1 3.08Å; N51-N75 PolarHBondContact O-OD1 2.77Å; S52-N75 PolarHBondContact N-OD1 2.98Å; L53-N75 HydrophobicContact CB-CB 4.26Å; L53-N75 WeakPolarHBondContact CB-OD1 3.46Å; L53-N75 WeakPolarHBondContact CG-OD1 3.24Å; L53-N75 PolarHBondContact N-OD1 2.73Å; L53-N75 VanDerWaalsContact N-OD1 3.09Å; L72-N75 PolarHBondContact O-ND2 3.22Å; N75-I77 HydrophobicContact CB-CD1 4.23Å; N75-I77 HydrophobicContact CB-CG1 3.99Å; N75-N97 PolarHBondContact N-O 2.92Å; N75-N97 VanDerWaalsContact N-O 3.15Å; N75-N97 VanDerWaalsContact O-O 3.11Å; N75-N98 VanDerWaalsContact CA-OD1 3.3Å; N75-N98 WeakPolarHBondContact CA-OD1 3.49Å; N75-N98 WeakPolarHBondContact CB-OD1 3.48Å; N75-N98 PolarHBondContact N-OD1 3.44Å; N75-N98 PolarHBondContact O-OD1 3.36Å
76N97.1Very high96.5Very high83 Ų8335.3 Ų35.344%0.44419%0.187SC..  trans-113.229.8177.9-61.3-33.1000111.4L53 T54 V78 N98L53-N76 CarbonylContact O-C 3.2Å; L53-N76 VanDerWaalsContact O-CA 3.27Å; L53-N76 WeakPolarHBondContact O-CA 3.42Å; L53-N76 PolarHBondContact O-N 3.14Å; T54-N76 WeakPolarHBondContact CA-O 3.38Å; T54-N76 HydrophobicContact CG2-CB 4.33Å; N76-V78 WeakPolarHBondContact O-CG2 3.3Å; N76-V78 PolarHBondContact O-N 3.28Å; N76-N98 PolarHBondContact N-OD1 3.36Å
77I97.3Very high96.6Very high0 Ų033.1 Ų33.10%018%0.175CC..  trans-67.6122.1-171.8-59.4170.8000109L53 T54 L56 L72 N75 I79 I80 L95 N98 A99 L100L53-I77 HydrophobicContact CB-CG1 4.28Å; L53-I77 WeakPolarHBondContact O-CG1 3.28Å; L53-I77 PolarHBondContact O-N 2.9Å; T54-I77 WeakPolarHBondContact O-CA 3.46Å; L56-I77 HydrophobicContact CD2-CD1 4.34Å; L56-I77 HydrophobicContact CG-CD1 4.44Å; L72-I77 HydrophobicContact CB-CD1 3.92Å; L72-I77 HydrophobicContact CD1-CD1 4.09Å; L72-I77 HydrophobicContact CG-CD1 4.44Å; N75-I77 HydrophobicContact CB-CD1 4.23Å; N75-I77 HydrophobicContact CB-CG1 3.99Å; I77-I79 WeakPolarHBondContact CG2-O 3.45Å; I77-I80 HydrophobicContact CG2-CG2 4.29Å; I77-L95 HydrophobicContact CD1-CD2 4.06Å; I77-N98 HydrophobicContact CB-CB 4.27Å; I77-N98 VanDerWaalsContact CB-OD1 3.29Å; I77-N98 WeakPolarHBondContact CB-OD1 3.31Å; I77-N98 WeakPolarHBondContact CG1-OD1 3.4Å; I77-N98 PolarHBondContact N-OD1 2.87Å; I77-A99 CarbonylContact O-C 2.65Å; I77-A99 WeakPolarHBondContact O-CA 3.43Å; I77-A99 PolarHBondContact O-N 2.92Å; I77-L100 HydrophobicContact CG2-CD2 3.86Å; I77-L100 PolarHBondContact O-N 3.27Å; I77-L100 VanDerWaalsContact O-N 3.14Å
78V96.5Very high96.4Very high64 Ų6436.2 Ų36.239%0.38820%0.201SC..  trans-96.5-31.9-179.1-174.90000111.6T54 N76 A99T54-V78 PolarHBondContact O-N 2.77Å; N76-V78 WeakPolarHBondContact O-CG2 3.3Å; N76-V78 PolarHBondContact O-N 3.28Å; V78-A99 HydrophobicContact CG2-CB 4.17Å
79I93.4Very high96.4Very high104 Ų10440.9 Ų40.953%0.53322%0.217SC..BIsolated β-bridgetrans-141.6145.9-179.2-169164.6000110.3I77I77-I79 WeakPolarHBondContact CG2-O 3.45Å
80I94.8Very high96.4Very high4 Ų439.1 Ų39.12%0.02121%0.209CC..  trans-105.5136.9167.359.4174.8000109.3L56 I77 I84 L95 L100 L103 I107L56-I80 HydrophobicContact CD1-CG2 4.39Å; I77-I80 HydrophobicContact CG2-CG2 4.29Å; I80-I84 HydrophobicContact CD1-CG2 4.12Å; I80-L95 HydrophobicContact CD1-CD1 4.38Å; I80-L95 HydrophobicContact CG2-CD1 3.89Å; I80-L95 HydrophobicContact CG2-CD2 4.18Å; I80-L100 HydrophobicContact CG2-CD2 4.02Å; I80-L103 HydrophobicContact CD1-CD1 3.45Å; I80-L103 VanDerWaalsContact CD1-CD1 3.45Å; I80-L103 HydrophobicContact CG1-CD1 4.44Å; I80-I107 HydrophobicContact CD1-CD1 4.46Å
81P94.8Very high96.4Very high10 Ų1042.4 Ų42.47%0.06522%0.224CC..  trans-70.5148.8179.630.4-36.1000110.7L56 D58 A83 I84L56-P81 HydrophobicContact CB-CG 3.93Å; D58-P81 WeakPolarHBondContact OD1-CB 3.22Å; P81-A83 PolarHBondContact O-N 3.22Å; P81-A83 VanDerWaalsContact O-N 3.1Å; P81-I84 WeakPolarHBondContact O-CB 3.3Å; P81-I84 VanDerWaalsContact O-CG2 3.24Å; P81-I84 WeakPolarHBondContact O-CG2 3.31Å; P81-I84 PolarHBondContact O-N 2.97Å
82E95.6Very high96.4Very high127 Ų12740.8 Ų40.859%0.59322%0.218SC*.G310 helixtrans-53.5-32.2176.1-67.1-175.5-173.200112.5I84 G85 E106E82-I84 PolarHBondContact O-N 2.86Å; E82-G85 PolarHBondContact O-N 2.84Å; E82-E106 HydrophobicContact CB-CG 3.86Å; E82-E106 HydrophobicContact CG-CG 4.3Å; E82-E106 VanDerWaalsContact O-CB 3.29Å; E82-E106 WeakPolarHBondContact O-CB 3.49Å
83A93.9Very high96.5Very high17 Ų1740.8 Ų40.814%0.1422%0.218CC..G310 helixtrans-57.4-19.8177.600000114D58 A61 P81 G85 N86D58-A83 WeakPolarHBondContact O-CB 3.45Å; A61-A83 WeakPolarHBondContact CB-O 3.4Å; P81-A83 PolarHBondContact O-N 3.22Å; P81-A83 VanDerWaalsContact O-N 3.1Å; A83-G85 PolarHBondContact O-N 2.88Å; A83-G85 VanDerWaalsContact O-N 3.17Å; A83-N86 WeakPolarHBondContact O-CB 3.42Å; A83-N86 PolarHBondContact O-N 2.72Å
84I95.9Very high96.6Very high2 Ų239.6 Ų39.61%0.0121%0.213CC..G310 helixtrans-53-36.5173.3-162.672.7000111.3L60 L70 I80 P81 E82 N86 L87 L93 L110L60-I84 HydrophobicContact CD2-CD1 4.39Å; L70-I84 HydrophobicContact CD2-CD1 3.97Å; I80-I84 HydrophobicContact CD1-CG2 4.12Å; P81-I84 WeakPolarHBondContact O-CB 3.3Å; P81-I84 VanDerWaalsContact O-CG2 3.24Å; P81-I84 WeakPolarHBondContact O-CG2 3.31Å; P81-I84 PolarHBondContact O-N 2.97Å; E82-I84 PolarHBondContact O-N 2.86Å; I84-N86 PolarHBondContact O-N 3.06Å; I84-N86 VanDerWaalsContact O-N 3.07Å; I84-L87 HydrophobicContact CD1-CD1 3.64Å; I84-L87 HydrophobicContact CG1-CD1 4.43Å; I84-L87 WeakPolarHBondContact O-CB 3.17Å; I84-L87 PolarHBondContact O-N 3.09Å; I84-L87 VanDerWaalsContact O-N 3.11Å; I84-L93 HydrophobicContact CG1-CD2 4.39Å; I84-L110 WeakPolarHBondContact O-CD2 3.21Å
85G95.6Very high96.6Very high4 Ų437.9 Ų37.94%0.04120%0.202CC..G310 helixtrans-64.1-13.5179.800000114.5E82 A83 E106 R109E82-G85 PolarHBondContact O-N 2.84Å; A83-G85 PolarHBondContact O-N 2.88Å; A83-G85 VanDerWaalsContact O-N 3.17Å; G85-E106 VanDerWaalsContact CA-O 3.25Å; G85-E106 WeakPolarHBondContact CA-O 3.49Å; G85-R109 VanDerWaalsContact O-CB 3.27Å; G85-R109 WeakPolarHBondContact O-CB 3.42Å
86N96.6Very high96.7Very high100 Ų10037.9 Ų37.954%0.53520%0.202SC..G310 helixtrans-87.7-3.9178.3-62.6-21.1000113.1A61 A83 I84 A88A61-N86 HydrophobicContact CB-CB 3.76Å; A83-N86 WeakPolarHBondContact O-CB 3.42Å; A83-N86 PolarHBondContact O-N 2.72Å; I84-N86 PolarHBondContact O-N 3.06Å; I84-N86 VanDerWaalsContact O-N 3.07Å; N86-A88 PolarHBondContact O-N 3.14Å
87L96.6Very high96.7Very high0 Ų037 Ų370%020%0.197CC..  trans-76.371.4174.3-66.2174.2000111.1A61 L64 L67 L70 I84 R89 L90 L110A61-L87 HydrophobicContact CB-CD2 3.79Å; A61-L87 HydrophobicContact CB-CG 3.88Å; L64-L87 VanDerWaalsContact O-CD2 3.3Å; L64-L87 WeakPolarHBondContact O-CD2 3.49Å; L67-L87 HydrophobicContact CB-CD2 4.29Å; L67-L87 HydrophobicContact CD1-CD1 4.44Å; L67-L87 HydrophobicContact CD1-CD2 4.3Å; L70-L87 HydrophobicContact CD2-CD1 4.48Å; I84-L87 HydrophobicContact CD1-CD1 3.64Å; I84-L87 HydrophobicContact CG1-CD1 4.43Å; I84-L87 WeakPolarHBondContact O-CB 3.17Å; I84-L87 PolarHBondContact O-N 3.09Å; I84-L87 VanDerWaalsContact O-N 3.11Å; L87-R89 PolarHBondContact O-N 3.23Å; L87-L90 HydrophobicContact CB-CB 3.92Å; L87-L90 HydrophobicContact CB-CD2 4.4Å; L87-L90 HydrophobicContact CD1-CD1 4.43Å; L87-L90 HydrophobicContact CD1-CD2 4.05Å; L87-L90 VanDerWaalsContact O-CB 3.32Å; L87-L90 WeakPolarHBondContact O-CB 3.31Å; L87-L90 PolarHBondContact O-N 3.16Å; L87-L110 HydrophobicContact CB-CD2 3.97Å; L87-L110 VanDerWaalsContact O-CD2 3.29Å; L87-L110 WeakPolarHBondContact O-CD2 3.29Å
88A94.7Very high96.8Very high65 Ų6537.7 Ų37.754%0.53720%0.201SC..THydrogen-bonded Turntrans-58.1-23.2-171.200000114.9N86 S112N86-A88 PolarHBondContact O-N 3.14Å; A88-S112 PolarHBondContact O-OG 3.13Å
89R97.5Very high96.8Very high119 Ų11935.7 Ų35.745%0.44919%0.191SC..THydrogen-bonded Turntrans-96.4-2.7-178.6-61.1-176.767.5167.93.7113.9N66 L67 L87 Q91N66-R89 PolarHBondContact OD1-NH1 3.15Å; L67-R89 CarbonylContact O-C 3.56Å; L67-R89 VanDerWaalsContact O-C 3.26Å; L87-R89 PolarHBondContact O-N 3.23Å; R89-Q91 PolarHBondContact O-N 3.05Å
90L98.5Very high97Very high0 Ų030.7 Ų30.70%017%0.166CC..  trans-68.2123.5-174.3-162.772.4000110.2L67 L70 L87 L93 L110 S112 L113L67-L90 HydrophobicContact CB-CD1 4.1Å; L67-L90 WeakPolarHBondContact O-CA 3.22Å; L67-L90 PolarHBondContact O-N 2.96Å; L70-L90 HydrophobicContact CB-CD1 3.9Å; L87-L90 HydrophobicContact CB-CB 3.92Å; L87-L90 HydrophobicContact CB-CD2 4.4Å; L87-L90 HydrophobicContact CD1-CD1 4.43Å; L87-L90 HydrophobicContact CD1-CD2 4.05Å; L87-L90 VanDerWaalsContact O-CB 3.32Å; L87-L90 WeakPolarHBondContact O-CB 3.31Å; L87-L90 PolarHBondContact O-N 3.16Å; L90-L93 HydrophobicContact CD2-CB 4Å; L90-L93 HydrophobicContact CD2-CD1 4.39Å; L90-L93 HydrophobicContact CD2-CD2 4.37Å; L90-L93 HydrophobicContact CD2-CG 4.49Å; L90-L110 HydrophobicContact CB-CD2 4.27Å; L90-L110 HydrophobicContact CD2-CD1 4.17Å; L90-L110 HydrophobicContact CD2-CD2 4.39Å; L90-S112 CarbonylContact O-C 3.4Å; L90-L113 HydrophobicContact CB-CD1 4.44Å; L90-L113 HydrophobicContact CD2-CD1 4.11Å; L90-L113 HydrophobicContact CG-CD1 4.06Å; L90-L113 VanDerWaalsContact O-CA 3.28Å; L90-L113 WeakPolarHBondContact O-CA 3.33Å; L90-L113 PolarHBondContact O-N 3.03Å; L90-L113 VanDerWaalsContact O-N 3.17Å
91Q98.6Very high97.1Very high70 Ų7035.3 Ų35.333%0.32719%0.187SC..  trans-109.2-30.3179.5-65.6178.71800112.1I68 R89 S112 R114 H115I68-Q91 HydrophobicContact CG2-CB 3.96Å; I68-Q91 HydrophobicContact CG2-CG 3.94Å; I68-Q91 PolarHBondContact O-N 2.68Å; R89-Q91 PolarHBondContact O-N 3.05Å; Q91-S112 WeakPolarHBondContact CA-O 3.28Å; Q91-S112 WeakPolarHBondContact CG-O 3.34Å; Q91-R114 WeakPolarHBondContact O-CA 3.44Å; Q91-R114 PolarHBondContact O-N 3.1Å; Q91-H115 PolarHBondContact O-N 3.16Å
92S98.8Very high97.1Very high5 Ų541.2 Ų41.24%0.03522%0.215CC..EExtended strand (participates in β ladder)trans-130.7122.3-179.6-171.50000110.5I68 E69 L70 Y71 H115I68-S92 PolarHBondContact O-N 2.98Å; I68-S92 VanDerWaalsContact O-N 3.08Å; E69-S92 WeakPolarHBondContact CA-O 3.22Å; L70-S92 PolarHBondContact N-O 3.2Å; Y71-S92 PolarHBondContact OH-OG 3.13Å; S92-H115 WeakPolarHBondContact CA-O 3.25Å
93L98.7Very high97.2Very high0 Ų035.7 Ų35.70%019%0.19CC..EExtended strand (participates in β ladder)trans-125.9117.6173.5179.457.7000109.3L70 I84 L90 L95 I107 L110 L113 H115 L116 R117L70-L93 HydrophobicContact CB-CD1 4.04Å; L70-L93 HydrophobicContact CD2-CD1 3.92Å; L70-L93 HydrophobicContact CG-CD1 4.01Å; I84-L93 HydrophobicContact CG1-CD2 4.39Å; L90-L93 HydrophobicContact CD2-CB 4Å; L90-L93 HydrophobicContact CD2-CD1 4.39Å; L90-L93 HydrophobicContact CD2-CD2 4.37Å; L90-L93 HydrophobicContact CD2-CG 4.49Å; L93-L95 HydrophobicContact CD1-CD1 4.07Å; L93-L95 HydrophobicContact CD1-CG 3.99Å; L93-L95 HydrophobicContact CD2-CD1 3.81Å; L93-L95 HydrophobicContact CG-CD1 3.89Å; L93-L95 HydrophobicContact CG-CG 4.11Å; L93-I107 HydrophobicContact CD2-CD1 3.87Å; L93-L110 HydrophobicContact CD2-CD1 4.45Å; L93-L113 HydrophobicContact CB-CD1 3.94Å; L93-H115 PolarHBondContact N-O 3.48Å; L93-L116 HydrophobicContact CB-CD1 4.06Å; L93-L116 HydrophobicContact CD2-CD1 3.93Å; L93-L116 HydrophobicContact CG-CD1 4.06Å; L93-L116 WeakPolarHBondContact O-CA 3.49Å; L93-R117 PolarHBondContact O-N 3.17Å
94D98.6Very high97.3Very high16 Ų1635.8 Ų35.89%0.08619%0.189CC..EExtended strand (participates in β ladder)trans-117.2109.3177-167-16.1000110.8L70 Y71 L72 H73 S96 R117L70-D94 PolarHBondContact O-N 2.93Å; Y71-D94 HydrophobicContact CD1-CB 3.54Å; Y71-D94 HydrophobicContact CE1-CB 4.17Å; Y71-D94 HydrophobicContact CG-CB 4.43Å; L72-D94 CarbonylContact C-O 3.2Å; L72-D94 WeakPolarHBondContact CA-O 3.25Å; L72-D94 PolarHBondContact N-O 2.75Å; H73-D94 WeakPolarHBondContact CB-OD1 3.44Å; H73-D94 IonicContact CD2-OD2 2.73Å; H73-D94 PolarHBondContact N-O 2.94Å; D94-S96 VanDerWaalsContact OD1-CB 3.3Å; D94-S96 WeakPolarHBondContact OD1-CB 3.49Å; D94-S96 PolarHBondContact OD1-N 3.13Å; D94-S96 PolarHBondContact OD1-OG 3.16Å; D94-R117 HydrophobicContact CB-CB 4.41Å
95L98.3Very high97.4Very high0 Ų038.6 Ų38.60%021%0.208CC..  trans-117.718.6178.2-72.3164.3000110.8L72 I77 I80 L93 N98 L100 R117 L118 N121L72-L95 HydrophobicContact CB-CD2 3.93Å; L72-L95 HydrophobicContact CD1-CD2 3.88Å; I77-L95 HydrophobicContact CD1-CD2 4.06Å; I80-L95 HydrophobicContact CD1-CD1 4.38Å; I80-L95 HydrophobicContact CG2-CD1 3.89Å; I80-L95 HydrophobicContact CG2-CD2 4.18Å; L93-L95 HydrophobicContact CD1-CD1 4.07Å; L93-L95 HydrophobicContact CD1-CG 3.99Å; L93-L95 HydrophobicContact CD2-CD1 3.81Å; L93-L95 HydrophobicContact CG-CD1 3.89Å; L93-L95 HydrophobicContact CG-CG 4.11Å; L95-N98 PolarHBondContact O-ND2 3.18Å; L95-L100 HydrophobicContact CB-CD1 3.96Å; L95-L100 HydrophobicContact CD1-CD1 4.13Å; L95-L100 HydrophobicContact CG-CD1 4.49Å; L95-R117 PolarHBondContact N-O 3Å; L95-L118 HydrophobicContact CB-CD2 3.87Å; L95-L118 HydrophobicContact CD1-CD2 4.02Å; L95-N121 PolarHBondContact O-ND2 2.82Å
96S98.3Very high97.5Very high6 Ų639.6 Ų39.64%0.04221%0.211CC..  trans-64.1150.2-179.5-72.50000112.8H73 S74 D94 N98 R117 S119H73-S96 CarbonylContact C-O 3.49Å; H73-S96 WeakPolarHBondContact CA-O 3.35Å; H73-S96 VanDerWaalsContact CB-O 3.24Å; H73-S96 WeakPolarHBondContact CB-O 3.49Å; S74-S96 PolarHBondContact N-O 2.96Å; D94-S96 VanDerWaalsContact OD1-CB 3.3Å; D94-S96 WeakPolarHBondContact OD1-CB 3.49Å; D94-S96 PolarHBondContact OD1-N 3.13Å; D94-S96 PolarHBondContact OD1-OG 3.16Å; S96-N98 PolarHBondContact O-ND2 2.99Å; S96-R117 PolarHBondContact N-O 3.01Å; S96-R117 WeakPolarHBondContact OG-CB 3.44Å; S96-S119 CarbonylContact C-O 3.18Å; S96-S119 WeakPolarHBondContact CA-O 3.4Å; S96-S119 WeakPolarHBondContact CB-O 3.45Å; S96-S119 WeakPolarHBondContact CB-OG 3.44Å; S96-S119 PolarHBondContact OG-N 2.85Å; S96-S119 VanDerWaalsContact OG-N 3.12Å; S96-S119 PolarHBondContact OG-OG 3.38Å
97N98.1Very high97.5Very high64 Ų6434.8 Ų34.834%0.34219%0.186SC..SBendtrans56.759.4-177.4-49.5-80.7000111.5S74 N75 S119 N120S74-N97 CarbonylContact C-O 3.6Å; S74-N97 WeakPolarHBondContact CA-O 3.48Å; S74-N97 PolarHBondContact N-O 2.91Å; N75-N97 PolarHBondContact N-O 2.92Å; N75-N97 VanDerWaalsContact N-O 3.15Å; N75-N97 VanDerWaalsContact O-O 3.11Å; N97-S119 PolarHBondContact N-O 3.46Å; N97-N120 VanDerWaalsContact CA-O 3.23Å; N97-N120 WeakPolarHBondContact CA-O 3.4Å; N97-N120 PolarHBondContact N-O 3Å; N97-N120 WeakPolarHBondContact OD1-CB 3.44Å; N97-N120 PolarHBondContact OD1-ND2 3.31Å
98N98.4Very high97.5Very high14 Ų1435 Ų358%0.07519%0.187CC..SBendtrans-129.6-169.4173.2-84.3-76.9000109.1L72 N75 N76 I77 L95 S96 L100 N120 N121L72-N98 PolarHBondContact O-ND2 2.99Å; L72-N98 VanDerWaalsContact O-ND2 3.11Å; N75-N98 VanDerWaalsContact CA-OD1 3.3Å; N75-N98 WeakPolarHBondContact CA-OD1 3.49Å; N75-N98 WeakPolarHBondContact CB-OD1 3.48Å; N75-N98 PolarHBondContact N-OD1 3.44Å; N75-N98 PolarHBondContact O-OD1 3.36Å; N76-N98 PolarHBondContact N-OD1 3.36Å; I77-N98 HydrophobicContact CB-CB 4.27Å; I77-N98 VanDerWaalsContact CB-OD1 3.29Å; I77-N98 WeakPolarHBondContact CB-OD1 3.31Å; I77-N98 WeakPolarHBondContact CG1-OD1 3.4Å; I77-N98 PolarHBondContact N-OD1 2.87Å; L95-N98 PolarHBondContact O-ND2 3.18Å; S96-N98 PolarHBondContact O-ND2 2.99Å; N98-L100 HydrophobicContact CB-CG 4.34Å; N98-N120 PolarHBondContact N-O 2.93Å; N98-N121 VanDerWaalsContact CA-OD1 3.32Å; N98-N121 WeakPolarHBondContact CA-OD1 3.36Å; N98-N121 WeakPolarHBondContact CB-OD1 3.21Å; N98-N121 PolarHBondContact N-OD1 2.89Å; N98-N121 PolarHBondContact O-OD1 2.94Å
99A97.8Very high97.6Very high22 Ų2238.1 Ų38.118%0.18219%0.185CC..  trans-11429.5179.500000111.9I77 V78 Q101 N121I77-A99 CarbonylContact O-C 2.65Å; I77-A99 WeakPolarHBondContact O-CA 3.43Å; I77-A99 PolarHBondContact O-N 2.92Å; V78-A99 HydrophobicContact CG2-CB 4.17Å; A99-Q101 PolarHBondContact O-N 2.86Å; A99-N121 PolarHBondContact N-OD1 3.2Å
100L97.9Very high97.7Very high0 Ų032.5 Ų32.50%016%0.164CC..  trans-64.1120.2-176.2-64.9173.5000110.3I77 I80 L95 N98 L118 N121 Q122 L123I77-L100 HydrophobicContact CG2-CD2 3.86Å; I77-L100 PolarHBondContact O-N 3.27Å; I77-L100 VanDerWaalsContact O-N 3.14Å; I80-L100 HydrophobicContact CG2-CD2 4.02Å; L95-L100 HydrophobicContact CB-CD1 3.96Å; L95-L100 HydrophobicContact CD1-CD1 4.13Å; L95-L100 HydrophobicContact CG-CD1 4.49Å; N98-L100 HydrophobicContact CB-CG 4.34Å; L100-L118 HydrophobicContact CD1-CD2 3.78Å; L100-N121 HydrophobicContact CB-CB 4.16Å; L100-N121 VanDerWaalsContact CB-OD1 3.3Å; L100-N121 WeakPolarHBondContact CB-OD1 3.27Å; L100-N121 WeakPolarHBondContact CG-OD1 3.49Å; L100-N121 PolarHBondContact N-OD1 3.08Å; L100-Q122 CarbonylContact O-C 3.56Å; L100-Q122 VanDerWaalsContact O-CA 3.27Å; L100-Q122 WeakPolarHBondContact O-CA 3.48Å; L100-Q122 PolarHBondContact O-N 3.29Å; L100-L123 HydrophobicContact CB-CD2 4.04Å; L100-L123 PolarHBondContact O-N 3.24Å
101Q96.1Very high97.4Very high100 Ų10038.3 Ų38.347%0.46719%0.186SC..SBendtrans-93.9-28.9175.6-64-179.329.300112.1A99 Q122A99-Q101 PolarHBondContact O-N 2.86Å; Q101-Q122 HydrophobicContact CG-CB 4.2Å
102M95.6Very high97.4Very high134 Ų13437 Ų3766%0.6619%0.185SC*.  trans-139.5155178.2-57.7-159-57.200110.5
103L96.7Very high97.4Very high11 Ų1136.8 Ų36.86%0.05818%0.183CC..  trans-113.6129.3172.1-172.473000108.2I80 I107 L118 L123 L126 P127 I130I80-L103 HydrophobicContact CD1-CD1 3.45Å; I80-L103 VanDerWaalsContact CD1-CD1 3.45Å; I80-L103 HydrophobicContact CG1-CD1 4.44Å; L103-I107 HydrophobicContact CD1-CD1 4.44Å; L103-I107 HydrophobicContact CD2-CB 4.36Å; L103-I107 HydrophobicContact CD2-CG1 4.3Å; L103-I107 HydrophobicContact CD2-CG2 3.88Å; L103-I107 HydrophobicContact CG-CB 4.35Å; L103-I107 HydrophobicContact CG-CG2 4.19Å; L103-L118 HydrophobicContact CD1-CD1 4.25Å; L103-L118 HydrophobicContact CD1-CD2 4.17Å; L103-L118 HydrophobicContact CD2-CD1 3.9Å; L103-L123 HydrophobicContact CB-CD2 4.29Å; L103-L126 HydrophobicContact CD2-CD2 4.34Å; L103-P127 HydrophobicContact CB-CG 4.25Å; L103-P127 HydrophobicContact CD2-CG 4.11Å; L103-P127 HydrophobicContact CG-CG 4.27Å; L103-I130 HydrophobicContact CD2-CD1 4.14Å
104C95.9Very high97.4Very high19 Ų1941.7 Ų41.713%0.12820%0.202CC..  trans-68.5145.2-179.460.70000111.6E106 I107C104-E106 PolarHBondContact O-N 3.2Å; C104-I107 WeakPolarHBondContact O-CB 3.21Å; C104-I107 VanDerWaalsContact O-CG2 3.31Å; C104-I107 WeakPolarHBondContact O-CG2 3.13Å; C104-I107 PolarHBondContact O-N 2.99Å
105P97.4Very high97.4Very high62 Ų6243.5 Ų43.540%0.40321%0.209SC..G310 helixtrans-56.7-29.4175.6-2736.5000113.9I107 G108 P127 E129P105-I107 PolarHBondContact O-N 2.79Å; P105-G108 PolarHBondContact O-N 3.34Å; P105-P127 HydrophobicContact CB-CB 4.47Å; P105-P127 HydrophobicContact CG-CB 4.43Å; P105-E129 HydrophobicContact CB-CB 4.46Å; P105-E129 HydrophobicContact CB-CG 3.95Å; P105-E129 WeakPolarHBondContact O-CB 2.93Å
106E97.7Very high97.4Very high24 Ų2443.5 Ų43.511%0.11221%0.209CC..G310 helixtrans-59.4-17.9-179.8-74.666.4-143.200113.3E82 G85 C104 G108 R109E82-E106 HydrophobicContact CB-CG 3.86Å; E82-E106 HydrophobicContact CG-CG 4.3Å; E82-E106 VanDerWaalsContact O-CB 3.29Å; E82-E106 WeakPolarHBondContact O-CB 3.49Å; G85-E106 VanDerWaalsContact CA-O 3.25Å; G85-E106 WeakPolarHBondContact CA-O 3.49Å; C104-E106 PolarHBondContact O-N 3.2Å; E106-G108 PolarHBondContact O-N 2.77Å; E106-G108 VanDerWaalsContact O-N 3.15Å; E106-R109 VanDerWaalsContact O-CB 3.3Å; E106-R109 WeakPolarHBondContact O-CB 3.48Å; E106-R109 PolarHBondContact O-N 2.94Å; E106-R109 IonicContact OE1-NH2 3.37Å; E106-R109 PolarHBondContact OE1-NH2 3.26Å
107I97.3Very high97.4Very high0 Ų047 Ų470%022%0.222CC..G310 helixtrans-51.6-36.3170.7-160.675.3000111.4I80 L93 L103 C104 P105 R109 L110 L116 P127 I130 L133I80-I107 HydrophobicContact CD1-CD1 4.46Å; L93-I107 HydrophobicContact CD2-CD1 3.87Å; L103-I107 HydrophobicContact CD1-CD1 4.44Å; L103-I107 HydrophobicContact CD2-CB 4.36Å; L103-I107 HydrophobicContact CD2-CG1 4.3Å; L103-I107 HydrophobicContact CD2-CG2 3.88Å; L103-I107 HydrophobicContact CG-CB 4.35Å; L103-I107 HydrophobicContact CG-CG2 4.19Å; C104-I107 WeakPolarHBondContact O-CB 3.21Å; C104-I107 VanDerWaalsContact O-CG2 3.31Å; C104-I107 WeakPolarHBondContact O-CG2 3.13Å; C104-I107 PolarHBondContact O-N 2.99Å; P105-I107 PolarHBondContact O-N 2.79Å; I107-R109 PolarHBondContact O-N 2.97Å; I107-R109 VanDerWaalsContact O-N 3.09Å; I107-L110 HydrophobicContact CD1-CD1 3.54Å; I107-L110 HydrophobicContact CG1-CD1 4.23Å; I107-L110 WeakPolarHBondContact O-CB 3.34Å; I107-L110 WeakPolarHBondContact O-CG 3.16Å; I107-L110 PolarHBondContact O-N 3.32Å; I107-L110 VanDerWaalsContact O-N 3.08Å; I107-L116 HydrophobicContact CG1-CD2 4.28Å; I107-P127 HydrophobicContact CG2-CG 4.1Å; I107-I130 HydrophobicContact CG2-CD1 4.24Å; I107-L133 VanDerWaalsContact O-CD2 3.28Å; I107-L133 WeakPolarHBondContact O-CD2 3.42Å
108G96.7Very high97.5Very high3 Ų344 Ų443%0.03121%0.206CC..G310 helixtrans-66.1-10.1178.800000115P105 E106 L110 E129P105-G108 PolarHBondContact O-N 3.34Å; E106-G108 PolarHBondContact O-N 2.77Å; E106-G108 VanDerWaalsContact O-N 3.15Å; G108-L110 VanDerWaalsContact C-N 3.34Å; G108-E129 VanDerWaalsContact CA-O 3.24Å; G108-E129 WeakPolarHBondContact CA-O 3.04Å
109R97.8Very high97.5Very high132 Ų13244.3 Ų44.350%0.49821%0.209SC..G310 helixtrans-80.7-14.1173.7-60.1-177.6-172.8163.710.8112.9G85 E106 I107 R111G85-R109 VanDerWaalsContact O-CB 3.27Å; G85-R109 WeakPolarHBondContact O-CB 3.42Å; E106-R109 VanDerWaalsContact O-CB 3.3Å; E106-R109 WeakPolarHBondContact O-CB 3.48Å; E106-R109 PolarHBondContact O-N 2.94Å; E106-R109 IonicContact OE1-NH2 3.37Å; E106-R109 PolarHBondContact OE1-NH2 3.26Å; I107-R109 PolarHBondContact O-N 2.97Å; I107-R109 VanDerWaalsContact O-N 3.09Å; R109-R111 PolarHBondContact O-N 2.94Å
110L97.8Very high97.5Very high0 Ų047 Ų470%022%0.221CC..  trans-74.869.4178.8-62.6176000111.8I84 L87 L90 L93 I107 G108 S112 L113 L133I84-L110 WeakPolarHBondContact O-CD2 3.21Å; L87-L110 HydrophobicContact CB-CD2 3.97Å; L87-L110 VanDerWaalsContact O-CD2 3.29Å; L87-L110 WeakPolarHBondContact O-CD2 3.29Å; L90-L110 HydrophobicContact CB-CD2 4.27Å; L90-L110 HydrophobicContact CD2-CD1 4.17Å; L90-L110 HydrophobicContact CD2-CD2 4.39Å; L93-L110 HydrophobicContact CD2-CD1 4.45Å; I107-L110 HydrophobicContact CD1-CD1 3.54Å; I107-L110 HydrophobicContact CG1-CD1 4.23Å; I107-L110 WeakPolarHBondContact O-CB 3.34Å; I107-L110 WeakPolarHBondContact O-CG 3.16Å; I107-L110 PolarHBondContact O-N 3.32Å; I107-L110 VanDerWaalsContact O-N 3.08Å; G108-L110 VanDerWaalsContact C-N 3.34Å; L110-S112 PolarHBondContact O-N 3.28Å; L110-S112 VanDerWaalsContact O-N 3.12Å; L110-L113 HydrophobicContact CB-CB 3.9Å; L110-L113 HydrophobicContact CB-CD2 4.37Å; L110-L113 HydrophobicContact CD1-CD1 4.35Å; L110-L113 HydrophobicContact CD1-CD2 3.99Å; L110-L113 VanDerWaalsContact O-CB 3.27Å; L110-L113 WeakPolarHBondContact O-CB 3.42Å; L110-L113 PolarHBondContact O-N 3.03Å; L110-L133 HydrophobicContact CB-CD2 4.01Å; L110-L133 VanDerWaalsContact O-CD2 3.22Å; L110-L133 WeakPolarHBondContact O-CD2 3.5Å
111R93.9Very high97.5Very high123 Ų12347.5 Ų47.546%0.46422%0.223SC..THydrogen-bonded Turntrans-60.4-26.7-171-60.7-57-178.5173.9-4.8114.5R109 D132R109-R111 PolarHBondContact O-N 2.94Å; R111-D132 PolarHBondContact NH1-O 2.76Å
112S97.8Very high97.6Very high43 Ų4346.4 Ų46.430%0.30122%0.218SC..THydrogen-bonded Turntrans-91.73178.5-62.20000114.4A88 L90 Q91 L110 R114A88-S112 PolarHBondContact O-OG 3.13Å; L90-S112 CarbonylContact O-C 3.4Å; Q91-S112 WeakPolarHBondContact CA-O 3.28Å; Q91-S112 WeakPolarHBondContact CG-O 3.34Å; L110-S112 PolarHBondContact O-N 3.28Å; L110-S112 VanDerWaalsContact O-N 3.12Å; S112-R114 PolarHBondContact O-N 3.3Å
113L98.6Very high97.7Very high0 Ų040 Ų400%019%0.187CC..  trans-70.5123.4-175.5-161.272.6000111L90 L93 L110 L116 L133 D135 L136L90-L113 HydrophobicContact CB-CD1 4.44Å; L90-L113 HydrophobicContact CD2-CD1 4.11Å; L90-L113 HydrophobicContact CG-CD1 4.06Å; L90-L113 VanDerWaalsContact O-CA 3.28Å; L90-L113 WeakPolarHBondContact O-CA 3.33Å; L90-L113 PolarHBondContact O-N 3.03Å; L90-L113 VanDerWaalsContact O-N 3.17Å; L93-L113 HydrophobicContact CB-CD1 3.94Å; L110-L113 HydrophobicContact CB-CB 3.9Å; L110-L113 HydrophobicContact CB-CD2 4.37Å; L110-L113 HydrophobicContact CD1-CD1 4.35Å; L110-L113 HydrophobicContact CD1-CD2 3.99Å; L110-L113 VanDerWaalsContact O-CB 3.27Å; L110-L113 WeakPolarHBondContact O-CB 3.42Å; L110-L113 PolarHBondContact O-N 3.03Å; L113-L116 HydrophobicContact CD2-CB 3.94Å; L113-L116 HydrophobicContact CD2-CD1 4.28Å; L113-L116 HydrophobicContact CD2-CD2 4.25Å; L113-L116 HydrophobicContact CD2-CG 4.39Å; L113-L133 HydrophobicContact CB-CD2 4.26Å; L113-L133 HydrophobicContact CD2-CD1 4.12Å; L113-L133 HydrophobicContact CD2-CD2 4.45Å; L113-D135 CarbonylContact O-C 3.29Å; L113-D135 VanDerWaalsContact O-C 3.26Å; L113-L136 HydrophobicContact CD2-CD1 4.36Å; L113-L136 HydrophobicContact CG-CD1 4.38Å; L113-L136 WeakPolarHBondContact O-CA 3.38Å; L113-L136 PolarHBondContact O-N 3.04Å; L113-L136 VanDerWaalsContact O-N 3.15Å
114R98.7Very high97.7Very high102 Ų10245.1 Ų45.139%0.38521%0.208SC..  trans-107.4-35.3179.7-61.2-173-178.4-171.6-0.8112.7Q91 S112 E137 T138Q91-R114 WeakPolarHBondContact O-CA 3.44Å; Q91-R114 PolarHBondContact O-N 3.1Å; S112-R114 PolarHBondContact O-N 3.3Å; R114-E137 HydrophobicContact CB-CG 4.43Å; R114-E137 WeakPolarHBondContact O-CA 3.42Å; R114-E137 PolarHBondContact O-N 2.81Å; R114-T138 PolarHBondContact O-N 3.01Å
115H98.8Very high97.8Very high54 Ų5447.5 Ų47.525%0.2522%0.224CC..EExtended strand (participates in β ladder)trans-127.1119.1-179-49.5-61000110.1Q91 S92 L93 E137 T138Q91-H115 PolarHBondContact O-N 3.16Å; S92-H115 WeakPolarHBondContact CA-O 3.25Å; L93-H115 PolarHBondContact N-O 3.48Å; H115-E137 IonicContact CE1-OE2 3.33Å; H115-T138 PolarHBondContact ND1-OG1 3.05Å
116L98.8Very high97.8Very high0 Ų045.1 Ų45.10%021%0.208CC..EExtended strand (participates in β ladder)trans-122.2114.7173.4179.956.8000109.3L93 I107 L113 L118 I130 L133 L136 T138 L139 D140L93-L116 HydrophobicContact CB-CD1 4.06Å; L93-L116 HydrophobicContact CD2-CD1 3.93Å; L93-L116 HydrophobicContact CG-CD1 4.06Å; L93-L116 WeakPolarHBondContact O-CA 3.49Å; I107-L116 HydrophobicContact CG1-CD2 4.28Å; L113-L116 HydrophobicContact CD2-CB 3.94Å; L113-L116 HydrophobicContact CD2-CD1 4.28Å; L113-L116 HydrophobicContact CD2-CD2 4.25Å; L113-L116 HydrophobicContact CD2-CG 4.39Å; L116-L118 HydrophobicContact CD1-CD1 4.14Å; L116-L118 HydrophobicContact CD1-CD2 4.42Å; L116-L118 HydrophobicContact CD1-CG 4.01Å; L116-L118 HydrophobicContact CD2-CD1 3.9Å; L116-L118 HydrophobicContact CG-CD1 3.89Å; L116-L118 HydrophobicContact CG-CG 4.08Å; L116-I130 HydrophobicContact CD2-CD1 3.64Å; L116-L133 HydrophobicContact CD2-CD1 4.29Å; L116-L136 HydrophobicContact CB-CD1 3.83Å; L116-T138 PolarHBondContact N-O 3.03Å; L116-L139 HydrophobicContact CB-CD1 4.13Å; L116-L139 HydrophobicContact CD2-CD1 3.94Å; L116-L139 HydrophobicContact CG-CD1 4.07Å; L116-D140 PolarHBondContact O-N 2.94Å
117R98.8Very high97.8Very high81 Ų8144.6 Ų44.631%0.30621%0.207SC..EExtended strand (participates in β ladder)trans-112.2120.8176-58.9-171.4-179.385.25110.2L93 D94 L95 S96 D140L93-R117 PolarHBondContact O-N 3.17Å; D94-R117 HydrophobicContact CB-CB 4.41Å; L95-R117 PolarHBondContact N-O 3Å; S96-R117 PolarHBondContact N-O 3.01Å; S96-R117 WeakPolarHBondContact OG-CB 3.44Å; R117-D140 HydrophobicContact CB-CB 4.47Å; R117-D140 HydrophobicContact CG-CB 4.29Å
118L98.5Very high97.8Very high0 Ų047.1 Ų47.10%022%0.223CC..  trans-130.517.6-177.9-69.8166.3000110.8L95 L100 L103 L116 N121 L123 D140 L141 N144L95-L118 HydrophobicContact CB-CD2 3.87Å; L95-L118 HydrophobicContact CD1-CD2 4.02Å; L100-L118 HydrophobicContact CD1-CD2 3.78Å; L103-L118 HydrophobicContact CD1-CD1 4.25Å; L103-L118 HydrophobicContact CD1-CD2 4.17Å; L103-L118 HydrophobicContact CD2-CD1 3.9Å; L116-L118 HydrophobicContact CD1-CD1 4.14Å; L116-L118 HydrophobicContact CD1-CD2 4.42Å; L116-L118 HydrophobicContact CD1-CG 4.01Å; L116-L118 HydrophobicContact CD2-CD1 3.9Å; L116-L118 HydrophobicContact CG-CD1 3.89Å; L116-L118 HydrophobicContact CG-CG 4.08Å; L118-N121 PolarHBondContact O-ND2 2.95Å; L118-L123 HydrophobicContact CB-CD1 4.1Å; L118-L123 HydrophobicContact CD1-CD1 4.15Å; L118-L123 HydrophobicContact CD2-CD1 4.5Å; L118-L123 HydrophobicContact CG-CD1 4.5Å; L118-D140 CarbonylContact C-O 3.59Å; L118-D140 WeakPolarHBondContact CA-O 3.42Å; L118-D140 PolarHBondContact N-O 2.8Å; L118-L141 HydrophobicContact CB-CD2 4.09Å; L118-L141 HydrophobicContact CD1-CD2 3.9Å; L118-N144 PolarHBondContact O-ND2 3Å
119S98.1Very high97.8Very high21 Ų2149.4 Ų49.415%0.14723%0.233CC..  trans-63.6148.8-175.6730000111.9S96 N97 N121 D140 A142S96-S119 CarbonylContact C-O 3.18Å; S96-S119 WeakPolarHBondContact CA-O 3.4Å; S96-S119 WeakPolarHBondContact CB-O 3.45Å; S96-S119 WeakPolarHBondContact CB-OG 3.44Å; S96-S119 PolarHBondContact OG-N 2.85Å; S96-S119 VanDerWaalsContact OG-N 3.12Å; S96-S119 PolarHBondContact OG-OG 3.38Å; N97-S119 PolarHBondContact N-O 3.46Å; S119-N121 PolarHBondContact O-ND2 2.84Å; S119-D140 PolarHBondContact N-O 3.46Å; S119-A142 CarbonylContact C-O 3.45Å; S119-A142 WeakPolarHBondContact CA-O 3.3Å
120N98Very high97.8Very high79 Ų7943.1 Ų43.142%0.42221%0.209SC..SBendtrans56.563.7179.4-164.531.1000112N97 N98 A142 M143N97-N120 VanDerWaalsContact CA-O 3.23Å; N97-N120 WeakPolarHBondContact CA-O 3.4Å; N97-N120 PolarHBondContact N-O 3Å; N97-N120 WeakPolarHBondContact OD1-CB 3.44Å; N97-N120 PolarHBondContact OD1-ND2 3.31Å; N98-N120 PolarHBondContact N-O 2.93Å; N120-A142 PolarHBondContact N-O 3.15Å; N120-M143 WeakPolarHBondContact CA-O 3.37Å; N120-M143 HydrophobicContact CB-CB 4.12Å; N120-M143 PolarHBondContact N-O 2.91Å
121N98.6Very high97.8Very high9 Ų943.1 Ų43.15%0.04821%0.209CC..SBendtrans-133.7-168.1174.3-84.6-74.7000108.9L95 N98 A99 L100 L118 S119 L123 M143 N144L95-N121 PolarHBondContact O-ND2 2.82Å; N98-N121 VanDerWaalsContact CA-OD1 3.32Å; N98-N121 WeakPolarHBondContact CA-OD1 3.36Å; N98-N121 WeakPolarHBondContact CB-OD1 3.21Å; N98-N121 PolarHBondContact N-OD1 2.89Å; N98-N121 PolarHBondContact O-OD1 2.94Å; A99-N121 PolarHBondContact N-OD1 3.2Å; L100-N121 HydrophobicContact CB-CB 4.16Å; L100-N121 VanDerWaalsContact CB-OD1 3.3Å; L100-N121 WeakPolarHBondContact CB-OD1 3.27Å; L100-N121 WeakPolarHBondContact CG-OD1 3.49Å; L100-N121 PolarHBondContact N-OD1 3.08Å; L118-N121 PolarHBondContact O-ND2 2.95Å; S119-N121 PolarHBondContact O-ND2 2.84Å; N121-L123 HydrophobicContact CB-CG 4.29Å; N121-M143 PolarHBondContact N-O 3.2Å; N121-M143 VanDerWaalsContact N-O 3.13Å; N121-N144 WeakPolarHBondContact CA-OD1 3.27Å; N121-N144 WeakPolarHBondContact CB-OD1 3.47Å; N121-N144 PolarHBondContact O-OD1 3.2Å
122Q98.1Very high97.9Very high78 Ų7838.4 Ų38.436%0.36419%0.193SC..  trans-118.527.7-177.8-59173.327.500111.7L100 Q101 K124 N144L100-Q122 CarbonylContact O-C 3.56Å; L100-Q122 VanDerWaalsContact O-CA 3.27Å; L100-Q122 WeakPolarHBondContact O-CA 3.48Å; L100-Q122 PolarHBondContact O-N 3.29Å; Q101-Q122 HydrophobicContact CG-CB 4.2Å; Q122-K124 PolarHBondContact O-N 2.95Å; Q122-N144 PolarHBondContact N-OD1 2.97Å
123L98.3Very high98Very high0 Ų036.3 Ų36.30%018%0.179CC..  trans-67.2123.2-176-62.1172.4000110.3L100 L103 L118 N121 L126 L141 N144 Q145 L146L100-L123 HydrophobicContact CB-CD2 4.04Å; L100-L123 PolarHBondContact O-N 3.24Å; L103-L123 HydrophobicContact CB-CD2 4.29Å; L118-L123 HydrophobicContact CB-CD1 4.1Å; L118-L123 HydrophobicContact CD1-CD1 4.15Å; L118-L123 HydrophobicContact CD2-CD1 4.5Å; L118-L123 HydrophobicContact CG-CD1 4.5Å; N121-L123 HydrophobicContact CB-CG 4.29Å; L123-L126 HydrophobicContact CD1-CD2 4.24Å; L123-L141 HydrophobicContact CD1-CD2 4.47Å; L123-N144 HydrophobicContact CB-CB 4.35Å; L123-N144 VanDerWaalsContact CB-OD1 3.31Å; L123-N144 WeakPolarHBondContact CB-OD1 3.48Å; L123-N144 WeakPolarHBondContact CG-OD1 3.26Å; L123-N144 PolarHBondContact N-OD1 2.83Å; L123-Q145 CarbonylContact O-C 3.03Å; L123-Q145 VanDerWaalsContact O-CA 3.3Å; L123-Q145 WeakPolarHBondContact O-CA 3.49Å; L123-Q145 PolarHBondContact O-N 3.43Å; L123-L146 HydrophobicContact CB-CD2 4.07Å; L123-L146 PolarHBondContact O-N 3.02Å; L123-L146 VanDerWaalsContact O-N 3.15Å
124K97.3Very high97.8Very high117 Ų11740.6 Ų40.651%0.50920%0.199SC..SBendtrans-92.5-27.1176.8-64.7-179-177.8176.60113.4Q122 Q145 M147Q122-K124 PolarHBondContact O-N 2.95Å; K124-Q145 HydrophobicContact CG-CB 4.16Å; K124-M147 PolarHBondContact O-N 3.25Å
125C96.6Very high97.8Very high70 Ų7039 Ų3947%0.47320%0.198SC..  trans-148.7165.7177.863.50000109.9
126L97.7Very high97.8Very high12 Ų1236.4 Ų36.46%0.06319%0.186CC..  trans-114.5142.4171.2-63.7171.4000109.7L103 L123 L141 L146 L149 P150L103-L126 HydrophobicContact CD2-CD2 4.34Å; L123-L126 HydrophobicContact CD1-CD2 4.24Å; L126-L141 HydrophobicContact CD1-CD1 3.5Å; L126-L141 VanDerWaalsContact CD1-CD1 3.5Å; L126-L141 HydrophobicContact CD1-CD2 4.01Å; L126-L141 HydrophobicContact CD1-CG 4.4Å; L126-L141 HydrophobicContact CD2-CD2 3.74Å; L126-L141 HydrophobicContact CG-CD2 4.45Å; L126-L146 HydrophobicContact CD1-CD1 4.22Å; L126-L146 HydrophobicContact CD2-CD2 4.31Å; L126-L146 HydrophobicContact CG-CD1 4.38Å; L126-L146 HydrophobicContact CG-CD2 3.91Å; L126-L149 HydrophobicContact CD1-CD2 4.28Å; L126-P150 HydrophobicContact CB-CG 4.12Å
127P97.4Very high97.8Very high13 Ų1338.8 Ų38.88%0.08420%0.197CC..  trans-62.2139.8171.127.1-34.1000109.9L103 P105 I107 E129 I130L103-P127 HydrophobicContact CB-CG 4.25Å; L103-P127 HydrophobicContact CD2-CG 4.11Å; L103-P127 HydrophobicContact CG-CG 4.27Å; P105-P127 HydrophobicContact CB-CB 4.47Å; P105-P127 HydrophobicContact CG-CB 4.43Å; I107-P127 HydrophobicContact CG2-CG 4.1Å; P127-E129 WeakPolarHBondContact CB-OE2 3.39Å; P127-E129 PolarHBondContact O-N 3.41Å; P127-E129 VanDerWaalsContact O-N 3.14Å; P127-I130 WeakPolarHBondContact O-CB 3.42Å; P127-I130 VanDerWaalsContact O-CG2 3.31Å; P127-I130 WeakPolarHBondContact O-CG2 3.44Å; P127-I130 PolarHBondContact O-N 3.12Å
128P97.2Very high97.8Very high52 Ų5236.3 Ų36.334%0.33819%0.191SC..G310 helixtrans-61.2-21.1177.225.2-33.7000113.1I130 G131 R152P128-I130 PolarHBondContact O-N 2.72Å; P128-G131 PolarHBondContact O-N 3.41Å; P128-G131 VanDerWaalsContact O-N 3.14Å; P128-R152 HydrophobicContact CB-CG 4.36Å; P128-R152 WeakPolarHBondContact O-CB 3.43Å
129E98.1Very high97.8Very high51 Ų5136.3 Ų36.324%0.23819%0.191CC..G310 helixtrans-63.1-14.7173.7-67.168.7-149.100112.9P105 G108 P127 G131 D132P105-E129 HydrophobicContact CB-CB 4.46Å; P105-E129 HydrophobicContact CB-CG 3.95Å; P105-E129 WeakPolarHBondContact O-CB 2.93Å; G108-E129 VanDerWaalsContact CA-O 3.24Å; G108-E129 WeakPolarHBondContact CA-O 3.04Å; P127-E129 WeakPolarHBondContact CB-OE2 3.39Å; P127-E129 PolarHBondContact O-N 3.41Å; P127-E129 VanDerWaalsContact O-N 3.14Å; E129-G131 PolarHBondContact O-N 2.95Å; E129-G131 VanDerWaalsContact O-N 3.14Å; E129-D132 VanDerWaalsContact O-CB 3.28Å; E129-D132 WeakPolarHBondContact O-CB 3.35Å; E129-D132 PolarHBondContact O-N 2.91Å
130I97.6Very high97.8Very high0 Ų036.9 Ų36.90%019%0.192CC..G310 helixtrans-55.4-31.5169.5-160.774.8000111.5L103 I107 L116 P127 P128 D132 L133 L139 P150 L153 C156L103-I130 HydrophobicContact CD2-CD1 4.14Å; I107-I130 HydrophobicContact CG2-CD1 4.24Å; L116-I130 HydrophobicContact CD2-CD1 3.64Å; P127-I130 WeakPolarHBondContact O-CB 3.42Å; P127-I130 VanDerWaalsContact O-CG2 3.31Å; P127-I130 WeakPolarHBondContact O-CG2 3.44Å; P127-I130 PolarHBondContact O-N 3.12Å; P128-I130 PolarHBondContact O-N 2.72Å; I130-D132 PolarHBondContact O-N 3.16Å; I130-L133 HydrophobicContact CD1-CD1 3.67Å; I130-L133 HydrophobicContact CG1-CD1 4.27Å; I130-L133 WeakPolarHBondContact O-CB 3.02Å; I130-L133 WeakPolarHBondContact O-CG 3.42Å; I130-L133 PolarHBondContact O-N 3.05Å; I130-L139 HydrophobicContact CG1-CD2 4.28Å; I130-P150 HydrophobicContact CG2-CG 3.58Å; I130-L153 HydrophobicContact CG2-CD1 4Å; I130-C156 PolarHBondContact O-SG 3.36Å
131G96.7Very high97.8Very high0 Ų033.1 Ų33.10%017%0.172CC..G310 helixtrans-67.2-13.8175.600000114.4P128 E129 L133 R152 R155P128-G131 PolarHBondContact O-N 3.41Å; P128-G131 VanDerWaalsContact O-N 3.14Å; E129-G131 PolarHBondContact O-N 2.95Å; E129-G131 VanDerWaalsContact O-N 3.14Å; G131-L133 VanDerWaalsContact C-N 3.27Å; G131-R152 WeakPolarHBondContact CA-O 3.1Å; G131-R155 CarbonylContact O-C 3.26Å; G131-R155 WeakPolarHBondContact O-CB 3.13Å
132D97.4Very high97.7Very high24 Ų2433.3 Ų33.313%0.12818%0.175CC..G310 helixtrans-82.1-6.6178.7-71.4-37.2000113R111 E129 I130 Q134 R155R111-D132 PolarHBondContact NH1-O 2.76Å; E129-D132 VanDerWaalsContact O-CB 3.28Å; E129-D132 WeakPolarHBondContact O-CB 3.35Å; E129-D132 PolarHBondContact O-N 2.91Å; I130-D132 PolarHBondContact O-N 3.16Å; D132-Q134 PolarHBondContact O-N 2.73Å; D132-R155 IonicContact OD1-CZ 3.35Å; D132-R155 IonicContact OD1-NH1 2.72Å; D132-R155 PolarHBondContact OD1-NH1 2.95Å; D132-R155 IonicContact OD1-NH2 3.48Å; D132-R155 PolarHBondContact OD1-NH2 3.25Å
133L97.9Very high97.7Very high0 Ų033.9 Ų33.90%018%0.179CC..  trans-8075.5175.6-58.7176.7000111.3I107 L110 L113 L116 I130 G131 D135 L136I107-L133 VanDerWaalsContact O-CD2 3.28Å; I107-L133 WeakPolarHBondContact O-CD2 3.42Å; L110-L133 HydrophobicContact CB-CD2 4.01Å; L110-L133 VanDerWaalsContact O-CD2 3.22Å; L110-L133 WeakPolarHBondContact O-CD2 3.5Å; L113-L133 HydrophobicContact CB-CD2 4.26Å; L113-L133 HydrophobicContact CD2-CD1 4.12Å; L113-L133 HydrophobicContact CD2-CD2 4.45Å; L116-L133 HydrophobicContact CD2-CD1 4.29Å; I130-L133 HydrophobicContact CD1-CD1 3.67Å; I130-L133 HydrophobicContact CG1-CD1 4.27Å; I130-L133 WeakPolarHBondContact O-CB 3.02Å; I130-L133 WeakPolarHBondContact O-CG 3.42Å; I130-L133 PolarHBondContact O-N 3.05Å; G131-L133 VanDerWaalsContact C-N 3.27Å; L133-D135 VanDerWaalsContact C-N 3.3Å; L133-D135 PolarHBondContact O-N 2.93Å; L133-L136 HydrophobicContact CB-CB 3.82Å; L133-L136 HydrophobicContact CB-CD2 4.26Å; L133-L136 HydrophobicContact CD1-CD1 4.38Å; L133-L136 HydrophobicContact CD1-CD2 4Å; L133-L136 VanDerWaalsContact O-CB 3.25Å; L133-L136 WeakPolarHBondContact O-CB 3.23Å; L133-L136 PolarHBondContact O-N 2.69Å
134Q95.5Very high97.7Very high89 Ų8934.4 Ų34.442%0.41618%0.181SC..THydrogen-bonded Turntrans-66.2-29.1-173.2-64.1-178.415.600114.1D132 L136 S158D132-Q134 PolarHBondContact O-N 2.73Å; Q134-L136 VanDerWaalsContact C-N 3.34Å; Q134-S158 WeakPolarHBondContact O-CB 3.36Å; Q134-S158 PolarHBondContact O-N 3.47Å; Q134-S158 PolarHBondContact O-OG 2.92Å
135D97.9Very high97.8Very high68 Ų6832.4 Ų32.436%0.36417%0.174SC..THydrogen-bonded Turntrans-891.3178.4-71.6-8.8000113L113 L133 E137L113-D135 CarbonylContact O-C 3.29Å; L113-D135 VanDerWaalsContact O-C 3.26Å; L133-D135 VanDerWaalsContact C-N 3.3Å; L133-D135 PolarHBondContact O-N 2.93Å; D135-E137 PolarHBondContact O-N 3.35Å
136L98.6Very high97.8Very high0 Ų029.1 Ų29.10%015%0.152CC..  trans-66.9120.2-178.3-167.770000110.4L113 L116 L133 Q134 L139 S158 L159L113-L136 HydrophobicContact CD2-CD1 4.36Å; L113-L136 HydrophobicContact CG-CD1 4.38Å; L113-L136 WeakPolarHBondContact O-CA 3.38Å; L113-L136 PolarHBondContact O-N 3.04Å; L113-L136 VanDerWaalsContact O-N 3.15Å; L116-L136 HydrophobicContact CB-CD1 3.83Å; L133-L136 HydrophobicContact CB-CB 3.82Å; L133-L136 HydrophobicContact CB-CD2 4.26Å; L133-L136 HydrophobicContact CD1-CD1 4.38Å; L133-L136 HydrophobicContact CD1-CD2 4Å; L133-L136 VanDerWaalsContact O-CB 3.25Å; L133-L136 WeakPolarHBondContact O-CB 3.23Å; L133-L136 PolarHBondContact O-N 2.69Å; Q134-L136 VanDerWaalsContact C-N 3.34Å; L136-L139 HydrophobicContact CD2-CB 3.98Å; L136-L139 HydrophobicContact CD2-CD1 4.41Å; L136-L139 HydrophobicContact CD2-CD2 4.25Å; L136-L139 HydrophobicContact CD2-CG 4.45Å; L136-S158 CarbonylContact O-C 3.44Å; L136-L159 HydrophobicContact CD2-CD1 4.1Å; L136-L159 HydrophobicContact CG-CD1 4.05Å; L136-L159 WeakPolarHBondContact O-CA 3.3Å; L136-L159 PolarHBondContact O-N 3.06Å
137E98.6Very high97.8Very high50 Ų5033.9 Ų33.923%0.23418%0.175CC..  trans-101.3-34.7179.6-64.5175-172.400111.5R114 H115 D135 Q160 N161R114-E137 HydrophobicContact CB-CG 4.43Å; R114-E137 WeakPolarHBondContact O-CA 3.42Å; R114-E137 PolarHBondContact O-N 2.81Å; H115-E137 IonicContact CE1-OE2 3.33Å; D135-E137 PolarHBondContact O-N 3.35Å; E137-Q160 PolarHBondContact O-N 3.43Å; E137-N161 PolarHBondContact O-N 2.98Å
138T98.8Very high97.7Very high29 Ų2935.8 Ų35.818%0.17819%0.189CC..EExtended strand (participates in β ladder)trans-131.1125.1-177.9-500000111R114 H115 L116 N161R114-T138 PolarHBondContact O-N 3.01Å; H115-T138 PolarHBondContact ND1-OG1 3.05Å; L116-T138 PolarHBondContact N-O 3.03Å; T138-N161 WeakPolarHBondContact CA-O 3.31Å; T138-N161 HydrophobicContact CG2-CB 4.14Å
139L98.8Very high97.8Very high0 Ų033.5 Ų33.50%017%0.174CC..EExtended strand (participates in β ladder)trans-125.1111.4172.1-178.754.1000109.7L116 I130 L136 L141 L153 L159 N161 L162 T163L116-L139 HydrophobicContact CB-CD1 4.13Å; L116-L139 HydrophobicContact CD2-CD1 3.94Å; L116-L139 HydrophobicContact CG-CD1 4.07Å; I130-L139 HydrophobicContact CG1-CD2 4.28Å; L136-L139 HydrophobicContact CD2-CB 3.98Å; L136-L139 HydrophobicContact CD2-CD1 4.41Å; L136-L139 HydrophobicContact CD2-CD2 4.25Å; L136-L139 HydrophobicContact CD2-CG 4.45Å; L139-L141 HydrophobicContact CD1-CD1 4.16Å; L139-L141 HydrophobicContact CD1-CD2 4.15Å; L139-L141 HydrophobicContact CD1-CG 3.93Å; L139-L141 HydrophobicContact CD2-CD1 3.79Å; L139-L141 HydrophobicContact CD2-CG 4.46Å; L139-L141 HydrophobicContact CG-CD1 3.73Å; L139-L141 HydrophobicContact CG-CG 3.91Å; L139-L153 HydrophobicContact CD2-CD1 3.79Å; L139-L159 HydrophobicContact CB-CD1 3.84Å; L139-N161 PolarHBondContact N-O 3.19Å; L139-L162 HydrophobicContact CB-CD1 4.02Å; L139-L162 HydrophobicContact CD2-CD1 3.93Å; L139-L162 HydrophobicContact CG-CD1 3.96Å; L139-L162 WeakPolarHBondContact O-CA 3.27Å; L139-T163 PolarHBondContact O-N 2.76Å
140D98.6Very high97.7Very high33 Ų3332.1 Ų32.118%0.17617%0.169CC..EExtended strand (participates in β ladder)trans-109.3115.2176.2-175.32.8000110.7L116 R117 L118 S119 A142L116-D140 PolarHBondContact O-N 2.94Å; R117-D140 HydrophobicContact CB-CB 4.47Å; R117-D140 HydrophobicContact CG-CB 4.29Å; L118-D140 CarbonylContact C-O 3.59Å; L118-D140 WeakPolarHBondContact CA-O 3.42Å; L118-D140 PolarHBondContact N-O 2.8Å; S119-D140 PolarHBondContact N-O 3.46Å; D140-A142 WeakPolarHBondContact OD1-CB 3.3Å; D140-A142 PolarHBondContact OD1-N 3.31Å
141L98.5Very high97.5Very high0 Ų036.4 Ų36.40%019%0.192CC..  trans-123.814.4-177.5-64.9161.7000111.4L118 L123 L126 L139 N144 L146 L149 L162 T163 V164 N167L118-L141 HydrophobicContact CB-CD2 4.09Å; L118-L141 HydrophobicContact CD1-CD2 3.9Å; L123-L141 HydrophobicContact CD1-CD2 4.47Å; L126-L141 HydrophobicContact CD1-CD1 3.5Å; L126-L141 VanDerWaalsContact CD1-CD1 3.5Å; L126-L141 HydrophobicContact CD1-CD2 4.01Å; L126-L141 HydrophobicContact CD1-CG 4.4Å; L126-L141 HydrophobicContact CD2-CD2 3.74Å; L126-L141 HydrophobicContact CG-CD2 4.45Å; L139-L141 HydrophobicContact CD1-CD1 4.16Å; L139-L141 HydrophobicContact CD1-CD2 4.15Å; L139-L141 HydrophobicContact CD1-CG 3.93Å; L139-L141 HydrophobicContact CD2-CD1 3.79Å; L139-L141 HydrophobicContact CD2-CG 4.46Å; L139-L141 HydrophobicContact CG-CD1 3.73Å; L139-L141 HydrophobicContact CG-CG 3.91Å; L141-N144 PolarHBondContact O-ND2 3.33Å; L141-L146 HydrophobicContact CB-CD1 3.96Å; L141-L146 HydrophobicContact CD1-CD1 4.14Å; L141-L146 HydrophobicContact CD2-CD1 4.32Å; L141-L146 HydrophobicContact CG-CD1 4.39Å; L141-L149 HydrophobicContact CD1-CD2 4.43Å; L141-L162 HydrophobicContact CD1-CD1 4.27Å; L141-T163 WeakPolarHBondContact CA-O 3.11Å; L141-T163 WeakPolarHBondContact CB-O 3.41Å; L141-T163 PolarHBondContact N-O 3.46Å; L141-V164 HydrophobicContact CB-CG1 4.04Å; L141-V164 HydrophobicContact CD1-CG1 3.82Å; L141-N167 PolarHBondContact O-ND2 3.46Å
142A97.1Very high97.5Very high13 Ų1341.9 Ų41.911%0.10721%0.213CC..  trans-57.6153.1-17700000112.1S119 N120 D140 N144 T163 D165S119-A142 CarbonylContact C-O 3.45Å; S119-A142 WeakPolarHBondContact CA-O 3.3Å; N120-A142 PolarHBondContact N-O 3.15Å; D140-A142 WeakPolarHBondContact OD1-CB 3.3Å; D140-A142 PolarHBondContact OD1-N 3.31Å; A142-N144 PolarHBondContact O-ND2 2.84Å; A142-T163 HydrophobicContact CB-CG2 3.87Å; A142-D165 CarbonylContact C-O 3.19Å; A142-D165 WeakPolarHBondContact CA-O 3.18Å; A142-D165 HydrophobicContact CB-CB 4.27Å
143M97.3Very high97.4Very high90 Ų9040.9 Ų40.944%0.44321%0.207SC..SBendtrans55.758.4175.9-58.7-78.6-177.500111.7N120 N121 D165 H166N120-M143 WeakPolarHBondContact CA-O 3.37Å; N120-M143 HydrophobicContact CB-CB 4.12Å; N120-M143 PolarHBondContact N-O 2.91Å; N121-M143 PolarHBondContact N-O 3.2Å; N121-M143 VanDerWaalsContact N-O 3.13Å; M143-D165 PolarHBondContact N-O 3.11Å; M143-H166 VanDerWaalsContact CA-O 3.31Å; M143-H166 WeakPolarHBondContact CA-O 3.44Å; M143-H166 HydrophobicContact CE-CB 4Å; M143-H166 WeakPolarHBondContact CE-CD2 3.39Å; M143-H166 VanDerWaalsContact CE-CG 3.46Å; M143-H166 HydrophobicContact CG-CB 4.02Å; M143-H166 PolarHBondContact N-O 3.15Å; M143-H166 HydrophobicContact SD-CB 3.38Å; M143-H166 WeakPolarHBondContact SD-CB 3.28Å; M143-H166 VanDerWaalsContact SD-CG 3.51Å
144N98.6Very high97.3Very high11 Ų1143.2 Ų43.26%0.05922%0.218CC..SBendtrans-129.7-168.5174.6-86.8-79000109.5L118 N121 Q122 L123 L141 A142 L146 H166 N167L118-N144 PolarHBondContact O-ND2 3Å; N121-N144 WeakPolarHBondContact CA-OD1 3.27Å; N121-N144 WeakPolarHBondContact CB-OD1 3.47Å; N121-N144 PolarHBondContact O-OD1 3.2Å; Q122-N144 PolarHBondContact N-OD1 2.97Å; L123-N144 HydrophobicContact CB-CB 4.35Å; L123-N144 VanDerWaalsContact CB-OD1 3.31Å; L123-N144 WeakPolarHBondContact CB-OD1 3.48Å; L123-N144 WeakPolarHBondContact CG-OD1 3.26Å; L123-N144 PolarHBondContact N-OD1 2.83Å; L141-N144 PolarHBondContact O-ND2 3.33Å; A142-N144 PolarHBondContact O-ND2 2.84Å; N144-L146 HydrophobicContact CB-CG 4.18Å; N144-H166 PolarHBondContact N-O 3.21Å; N144-N167 WeakPolarHBondContact CA-OD1 3.44Å; N144-N167 WeakPolarHBondContact CB-OD1 3.46Å; N144-N167 PolarHBondContact O-OD1 3.27Å
145Q98.1Very high97.3Very high76 Ų7643.3 Ų43.336%0.35522%0.215SC..  trans-115.628.3179.1-60.3177.88.600111.5L123 K124 M147 N167 L168L123-Q145 CarbonylContact O-C 3.03Å; L123-Q145 VanDerWaalsContact O-CA 3.3Å; L123-Q145 WeakPolarHBondContact O-CA 3.49Å; L123-Q145 PolarHBondContact O-N 3.43Å; K124-Q145 HydrophobicContact CG-CB 4.16Å; Q145-M147 PolarHBondContact O-N 3.05Å; Q145-N167 PolarHBondContact N-OD1 2.96Å; Q145-L168 HydrophobicContact CB-CD1 4.32Å
146L98.2Very high97.3Very high0 Ų040.1 Ų40.10%020%0.197CC..  trans-67.1125.4-174.6-62.4173.1000110.4L123 L126 L141 N144 L149 N167 L168 L169L123-L146 HydrophobicContact CB-CD2 4.07Å; L123-L146 PolarHBondContact O-N 3.02Å; L123-L146 VanDerWaalsContact O-N 3.15Å; L126-L146 HydrophobicContact CD1-CD1 4.22Å; L126-L146 HydrophobicContact CD2-CD2 4.31Å; L126-L146 HydrophobicContact CG-CD1 4.38Å; L126-L146 HydrophobicContact CG-CD2 3.91Å; L141-L146 HydrophobicContact CB-CD1 3.96Å; L141-L146 HydrophobicContact CD1-CD1 4.14Å; L141-L146 HydrophobicContact CD2-CD1 4.32Å; L141-L146 HydrophobicContact CG-CD1 4.39Å; N144-L146 HydrophobicContact CB-CG 4.18Å; L146-L149 HydrophobicContact CD1-CD2 4.35Å; L146-N167 HydrophobicContact CB-CB 4.26Å; L146-N167 VanDerWaalsContact CB-OD1 3.23Å; L146-N167 WeakPolarHBondContact CB-OD1 3.44Å; L146-N167 WeakPolarHBondContact CG-OD1 3.3Å; L146-N167 PolarHBondContact N-OD1 3.14Å; L146-L168 CarbonylContact O-C 3.44Å; L146-L168 VanDerWaalsContact O-CA 3.31Å; L146-L168 WeakPolarHBondContact O-CA 3.2Å; L146-L168 PolarHBondContact O-N 3.43Å; L146-L169 HydrophobicContact CB-CD2 4.17Å; L146-L169 PolarHBondContact O-N 2.93Å
147M97Very high97.1Very high112 Ų11245 Ų4555%0.55222%0.223SC*.SBendtrans-92.2-23.8175.7-65-176.9-74.800112.8K124 Q145 L168K124-M147 PolarHBondContact O-N 3.25Å; Q145-M147 PolarHBondContact O-N 3.05Å; M147-L168 HydrophobicContact CG-CB 4.32Å
148S96Very high97Very high53 Ų5343.5 Ų43.537%0.37122%0.218SC..  trans-152.8163.2177.260.40000110.9
149L97.4Very high97Very high5 Ų542.1 Ų42.13%0.02621%0.21CC..  trans-103.9144.1168.5-61.7175.7000109.3L126 L141 L146 L153 L162 V164 L169 P173L126-L149 HydrophobicContact CD1-CD2 4.28Å; L141-L149 HydrophobicContact CD1-CD2 4.43Å; L146-L149 HydrophobicContact CD1-CD2 4.35Å; L149-L153 HydrophobicContact CD1-CD2 4.38Å; L149-L162 HydrophobicContact CD1-CD2 4.43Å; L149-V164 HydrophobicContact CD1-CG1 4.22Å; L149-V164 HydrophobicContact CD2-CG1 3.84Å; L149-L169 HydrophobicContact CD1-CD1 4.4Å; L149-L169 HydrophobicContact CG-CD1 4.3Å; L149-L169 HydrophobicContact CG-CD2 4.22Å; L149-P173 HydrophobicContact CB-CG 4.16Å
150P96.7Very high97Very high21 Ų2145.7 Ų45.714%0.13623%0.226CC..  trans-69.4136.1-179.827.1-32000110.6L126 I130 R152 L153L126-P150 HydrophobicContact CB-CG 4.12Å; I130-P150 HydrophobicContact CG2-CG 3.58Å; P150-R152 PolarHBondContact O-N 3.49Å; P150-R152 VanDerWaalsContact O-N 3.09Å; P150-L153 HydrophobicContact CG-CB 4.44Å; P150-L153 VanDerWaalsContact O-CB 3.25Å; P150-L153 WeakPolarHBondContact O-CB 3.34Å; P150-L153 PolarHBondContact O-N 2.9Å
151D93.4Very high96.9Very high90 Ų9046.4 Ų46.448%0.48123%0.23SC..G310 helixtrans-54-34.6178.1-75.80.9000112.3L153 H154 P173 Q175D151-L153 PolarHBondContact O-N 3.07Å; D151-L153 VanDerWaalsContact O-N 3.16Å; D151-H154 PolarHBondContact O-ND1 2.97Å; D151-P173 WeakPolarHBondContact OD1-CB 3.08Å; D151-Q175 VanDerWaalsContact CG-NE2 3.33Å; D151-Q175 PolarHBondContact OD2-NE2 3.05Å
152R96.7Very high96.9Very high116 Ų11646.4 Ų46.444%0.43823%0.23SC..G310 helixtrans-65.7-11179.7-68.9-163.6-173.1165.8-0.9114.6P128 G131 P150 H154 R155P128-R152 HydrophobicContact CB-CG 4.36Å; P128-R152 WeakPolarHBondContact O-CB 3.43Å; G131-R152 WeakPolarHBondContact CA-O 3.1Å; P150-R152 PolarHBondContact O-N 3.49Å; P150-R152 VanDerWaalsContact O-N 3.09Å; R152-H154 PolarHBondContact O-N 2.89Å; R152-R155 WeakPolarHBondContact O-CB 3.32Å; R152-R155 PolarHBondContact O-N 3.01Å
153L96.7Very high97Very high2 Ų247.2 Ų47.21%0.0123%0.233CC..G310 helixtrans-56.4-26.4179.3-171.763.7000112.7I130 L139 L149 P150 D151 R155 C156 L162 L176I130-L153 HydrophobicContact CG2-CD1 4Å; L139-L153 HydrophobicContact CD2-CD1 3.79Å; L149-L153 HydrophobicContact CD1-CD2 4.38Å; P150-L153 HydrophobicContact CG-CB 4.44Å; P150-L153 VanDerWaalsContact O-CB 3.25Å; P150-L153 WeakPolarHBondContact O-CB 3.34Å; P150-L153 PolarHBondContact O-N 2.9Å; D151-L153 PolarHBondContact O-N 3.07Å; D151-L153 VanDerWaalsContact O-N 3.16Å; L153-R155 PolarHBondContact O-N 3.31Å; L153-C156 WeakPolarHBondContact O-CB 3.3Å; L153-C156 PolarHBondContact O-N 2.93Å; L153-C156 VanDerWaalsContact O-N 3.08Å; L153-L162 HydrophobicContact CD2-CD1 4.48Å; L153-L162 HydrophobicContact CD2-CD2 3.88Å; L153-L176 HydrophobicContact CD2-CD1 4.03Å
154H93.8Very high97Very high49 Ų4942.9 Ų42.923%0.22721%0.212CC..G310 helixtrans-58.3-17.9174.174.6-90.1000114.8D151 R152 C156 Q175 W178D151-H154 PolarHBondContact O-ND1 2.97Å; R152-H154 PolarHBondContact O-N 2.89Å; H154-C156 VanDerWaalsContact C-N 3.3Å; H154-Q175 HydrophobicContact CB-CB 4.01Å; H154-Q175 VanDerWaalsContact CB-O 3.22Å; H154-Q175 WeakPolarHBondContact CB-O 3.37Å; H154-W178 HydrophobicContact CB-CB 4.29Å; H154-W178 HydrophobicContact CB-CE3 4.27Å; H154-W178 AromaticContact CD2-CE3 3.72Å; H154-W178 AromaticContact CG-CE3 3.88Å
155R96.6Very high96.7Very high92 Ų9243.7 Ų43.735%0.34722%0.217SC..G310 helixtrans-80.8-7.8178.4-65.5179.470.4-150.9-2.3113.3G131 D132 R152 L153 L157G131-R155 CarbonylContact O-C 3.26Å; G131-R155 WeakPolarHBondContact O-CB 3.13Å; D132-R155 IonicContact OD1-CZ 3.35Å; D132-R155 IonicContact OD1-NH1 2.72Å; D132-R155 PolarHBondContact OD1-NH1 2.95Å; D132-R155 IonicContact OD1-NH2 3.48Å; D132-R155 PolarHBondContact OD1-NH2 3.25Å; R152-R155 WeakPolarHBondContact O-CB 3.32Å; R152-R155 PolarHBondContact O-N 3.01Å; L153-R155 PolarHBondContact O-N 3.31Å; R155-L157 WeakPolarHBondContact O-CG 3.11Å; R155-L157 PolarHBondContact O-N 3Å
156C97.1Very high96.5Very high0 Ų044.4 Ų44.40%022%0.22CC..  trans-7475.4168.4-59.10000109.8I130 L153 H154 S158 L159 L179I130-C156 PolarHBondContact O-SG 3.36Å; L153-C156 WeakPolarHBondContact O-CB 3.3Å; L153-C156 PolarHBondContact O-N 2.93Å; L153-C156 VanDerWaalsContact O-N 3.08Å; H154-C156 VanDerWaalsContact C-N 3.3Å; C156-S158 PolarHBondContact O-N 3.47Å; C156-S158 VanDerWaalsContact O-N 3.13Å; C156-L159 HydrophobicContact CB-CB 3.9Å; C156-L159 HydrophobicContact CB-CD2 4.39Å; C156-L159 VanDerWaalsContact O-CB 3.28Å; C156-L159 WeakPolarHBondContact O-CB 3.06Å; C156-L159 PolarHBondContact O-N 3.18Å; C156-L179 WeakPolarHBondContact O-CD2 3.15Å
157L94.3Very high96.5Very high103 Ų10344.8 Ų44.854%0.53922%0.222SC..THydrogen-bonded Turntrans-61.8-24.8-169.9-58.4-179000113.5R155 R181R155-L157 WeakPolarHBondContact O-CG 3.11Å; R155-L157 PolarHBondContact O-N 3Å; L157-R181 WeakPolarHBondContact O-CD 3.29Å
158S97.6Very high96.5Very high18 Ų1842.4 Ų42.413%0.12621%0.211CC..THydrogen-bonded Turntrans-91.4-0.8179.1-59.10000114.4Q134 L136 C156 Q160Q134-S158 WeakPolarHBondContact O-CB 3.36Å; Q134-S158 PolarHBondContact O-N 3.47Å; Q134-S158 PolarHBondContact O-OG 2.92Å; L136-S158 CarbonylContact O-C 3.44Å; C156-S158 PolarHBondContact O-N 3.47Å; C156-S158 VanDerWaalsContact O-N 3.13Å; S158-Q160 PolarHBondContact O-N 3.24Å
159L98.4Very high96.6Very high1 Ų139.9 Ų39.91%0.00519%0.193CC..  trans-68119.2-171.3-166.968.1000110.8L136 L139 C156 L162 L179 R181 L182L136-L159 HydrophobicContact CD2-CD1 4.1Å; L136-L159 HydrophobicContact CG-CD1 4.05Å; L136-L159 WeakPolarHBondContact O-CA 3.3Å; L136-L159 PolarHBondContact O-N 3.06Å; L139-L159 HydrophobicContact CB-CD1 3.84Å; C156-L159 HydrophobicContact CB-CB 3.9Å; C156-L159 HydrophobicContact CB-CD2 4.39Å; C156-L159 VanDerWaalsContact O-CB 3.28Å; C156-L159 WeakPolarHBondContact O-CB 3.06Å; C156-L159 PolarHBondContact O-N 3.18Å; L159-L162 HydrophobicContact CD2-CB 4.23Å; L159-L179 HydrophobicContact CB-CD2 4.32Å; L159-L179 HydrophobicContact CD2-CD1 3.98Å; L159-R181 CarbonylContact O-C 3.26Å; L159-L182 HydrophobicContact CD2-CD1 4.48Å; L159-L182 HydrophobicContact CG-CD1 4.34Å; L159-L182 WeakPolarHBondContact O-CA 3.48Å; L159-L182 PolarHBondContact O-N 3.47Å; L159-L182 VanDerWaalsContact O-N 3.08Å
160Q98.2Very high96.3Very high74 Ų7442 Ų4235%0.34621%0.209SC..  trans-105.3-39.3-179.7-69.9166.452.200110.9E137 S158 R181 L182 N183 Q184E137-Q160 PolarHBondContact O-N 3.43Å; S158-Q160 PolarHBondContact O-N 3.24Å; Q160-R181 WeakPolarHBondContact CA-O 3.38Å; Q160-L182 WeakPolarHBondContact O-CD1 3.19Å; Q160-N183 PolarHBondContact O-N 3.36Å; Q160-Q184 PolarHBondContact O-N 3.24Å
161N98.2Very high96Very high49 Ų4944.9 Ų44.926%0.26222%0.22SC..EExtended strand (participates in β ladder)trans-126.1118.5-172.9-64.819.3000109.8E137 T138 L139 Q184E137-N161 PolarHBondContact O-N 2.98Å; T138-N161 WeakPolarHBondContact CA-O 3.31Å; T138-N161 HydrophobicContact CG2-CB 4.14Å; L139-N161 PolarHBondContact N-O 3.19Å; N161-Q184 WeakPolarHBondContact CA-O 3.41Å
162L98.5Very high96Very high0 Ų040.8 Ų40.80%020%0.198CC..EExtended strand (participates in β ladder)trans-122.9118.1173.817859.3000109.8L139 L141 L149 L153 L159 V164 L176 L182 Q184 L185 S186L139-L162 HydrophobicContact CB-CD1 4.02Å; L139-L162 HydrophobicContact CD2-CD1 3.93Å; L139-L162 HydrophobicContact CG-CD1 3.96Å; L139-L162 WeakPolarHBondContact O-CA 3.27Å; L141-L162 HydrophobicContact CD1-CD1 4.27Å; L149-L162 HydrophobicContact CD1-CD2 4.43Å; L153-L162 HydrophobicContact CD2-CD1 4.48Å; L153-L162 HydrophobicContact CD2-CD2 3.88Å; L159-L162 HydrophobicContact CD2-CB 4.23Å; L162-V164 HydrophobicContact CD1-CG1 3.87Å; L162-V164 HydrophobicContact CG-CG1 4.19Å; L162-L176 HydrophobicContact CD2-CD1 3.67Å; L162-L176 HydrophobicContact CD2-CD2 4.39Å; L162-L182 HydrophobicContact CB-CD1 3.85Å; L162-Q184 PolarHBondContact N-O 2.88Å; L162-L185 HydrophobicContact CB-CD1 4.03Å; L162-L185 HydrophobicContact CD2-CD1 3.82Å; L162-L185 HydrophobicContact CG-CD1 3.97Å; L162-L185 CarbonylContact O-C 3.54Å; L162-L185 WeakPolarHBondContact O-CA 3.19Å; L162-S186 PolarHBondContact O-N 3.14Å
163T97.4Very high95.7Very high29 Ų2935.8 Ų35.818%0.17818%0.181CC..EExtended strand (participates in β ladder)trans-116.8119.8175.3-55.10000108.9L139 L141 A142 D165L139-T163 PolarHBondContact O-N 2.76Å; L141-T163 WeakPolarHBondContact CA-O 3.11Å; L141-T163 WeakPolarHBondContact CB-O 3.41Å; L141-T163 PolarHBondContact N-O 3.46Å; A142-T163 HydrophobicContact CB-CG2 3.87Å; T163-D165 HydrophobicContact CG2-CB 4.32Å
164V98.1Very high95.3Very high0 Ų042.8 Ų42.80%021%0.207CC..  trans-129.629.5177.3-64.50000110.8L141 L149 L162 N167 L169 S186 M187 N190L141-V164 HydrophobicContact CB-CG1 4.04Å; L141-V164 HydrophobicContact CD1-CG1 3.82Å; L149-V164 HydrophobicContact CD1-CG1 4.22Å; L149-V164 HydrophobicContact CD2-CG1 3.84Å; L162-V164 HydrophobicContact CD1-CG1 3.87Å; L162-V164 HydrophobicContact CG-CG1 4.19Å; V164-N167 PolarHBondContact O-ND2 3.3Å; V164-L169 HydrophobicContact CB-CD1 3.95Å; V164-L169 HydrophobicContact CG2-CD1 3.62Å; V164-S186 VanDerWaalsContact CG2-O 3.28Å; V164-S186 WeakPolarHBondContact CG2-O 3.27Å; V164-S186 PolarHBondContact N-O 2.75Å; V164-M187 HydrophobicContact CG2-CB 3.92Å; V164-M187 HydrophobicContact CG2-CG 3.52Å; V164-M187 HydrophobicContact CG2-SD 4.43Å; V164-N190 PolarHBondContact O-ND2 3.31Å
165D91.8Very high95.2Very high28 Ų2842.7 Ų42.715%0.1521%0.207CC..  trans-62.2154-178.6-61.5-19.7000111.9A142 M143 T163 N167 S186 M187 A188A142-D165 CarbonylContact C-O 3.19Å; A142-D165 WeakPolarHBondContact CA-O 3.18Å; A142-D165 HydrophobicContact CB-CB 4.27Å; M143-D165 PolarHBondContact N-O 3.11Å; T163-D165 HydrophobicContact CG2-CB 4.32Å; D165-N167 PolarHBondContact O-N 3.09Å; D165-N167 PolarHBondContact O-ND2 3.42Å; D165-S186 WeakPolarHBondContact OD1-CB 3.3Å; D165-S186 PolarHBondContact OD1-OG 2.86Å; D165-S186 WeakPolarHBondContact OD2-CB 3.44Å; D165-S186 PolarHBondContact OD2-OG 3.47Å; D165-M187 WeakPolarHBondContact OD1-CA 3.37Å; D165-M187 PolarHBondContact OD1-N 3.09Å; D165-A188 CarbonylContact C-O 3.15Å; D165-A188 WeakPolarHBondContact CA-O 3.03Å; D165-A188 HydrophobicContact CB-CB 4.49Å; D165-A188 PolarHBondContact OD1-N 3.26Å
166H94.8Very high94.9Very high91 Ų9138.5 Ų38.542%0.42119%0.191SC..SBendtrans52.556.9176.7-67.8-91.6000112.3M143 N144 A188 A189M143-H166 VanDerWaalsContact CA-O 3.31Å; M143-H166 WeakPolarHBondContact CA-O 3.44Å; M143-H166 HydrophobicContact CE-CB 4Å; M143-H166 WeakPolarHBondContact CE-CD2 3.39Å; M143-H166 VanDerWaalsContact CE-CG 3.46Å; M143-H166 HydrophobicContact CG-CB 4.02Å; M143-H166 PolarHBondContact N-O 3.15Å; M143-H166 HydrophobicContact SD-CB 3.38Å; M143-H166 WeakPolarHBondContact SD-CB 3.28Å; M143-H166 VanDerWaalsContact SD-CG 3.51Å; N144-H166 PolarHBondContact N-O 3.21Å; H166-A188 PolarHBondContact N-O 2.89Å; H166-A189 WeakPolarHBondContact CA-O 3.29Å; H166-A189 HydrophobicContact CB-CB 4.47Å; H166-A189 VanDerWaalsContact CE1-CB 3.49Å; H166-A189 WeakPolarHBondContact CE1-CB 3.08Å; H166-A189 PolarHBondContact N-O 3.43Å; H166-A189 WeakPolarHBondContact ND1-CB 3.45Å
167N98Very high94.5Very high7 Ų739.7 Ų39.74%0.03720%0.199CC..SBendtrans-127.5-168.9174.5-84.9-81.2000109.4L141 N144 Q145 L146 V164 D165 L169 A189 N190L141-N167 PolarHBondContact O-ND2 3.46Å; N144-N167 WeakPolarHBondContact CA-OD1 3.44Å; N144-N167 WeakPolarHBondContact CB-OD1 3.46Å; N144-N167 PolarHBondContact O-OD1 3.27Å; Q145-N167 PolarHBondContact N-OD1 2.96Å; L146-N167 HydrophobicContact CB-CB 4.26Å; L146-N167 VanDerWaalsContact CB-OD1 3.23Å; L146-N167 WeakPolarHBondContact CB-OD1 3.44Å; L146-N167 WeakPolarHBondContact CG-OD1 3.3Å; L146-N167 PolarHBondContact N-OD1 3.14Å; V164-N167 PolarHBondContact O-ND2 3.3Å; D165-N167 PolarHBondContact O-N 3.09Å; D165-N167 PolarHBondContact O-ND2 3.42Å; N167-L169 HydrophobicContact CB-CG 4.21Å; N167-A189 PolarHBondContact N-O 3.35Å; N167-N190 WeakPolarHBondContact CA-OD1 3.47Å; N167-N190 WeakPolarHBondContact CB-OD1 3.11Å; N167-N190 PolarHBondContact N-OD1 3.32Å; N167-N190 PolarHBondContact O-OD1 3.25Å
168L97.6Very high94.3Very high62 Ų6240.8 Ų40.833%0.32520%0.196SC..  trans-113.425.7-178.1-56.5174.8000111.5Q145 L146 M147 S170 N190Q145-L168 HydrophobicContact CB-CD1 4.32Å; L146-L168 CarbonylContact O-C 3.44Å; L146-L168 VanDerWaalsContact O-CA 3.31Å; L146-L168 WeakPolarHBondContact O-CA 3.2Å; L146-L168 PolarHBondContact O-N 3.43Å; M147-L168 HydrophobicContact CG-CB 4.32Å; L168-S170 PolarHBondContact O-N 3.04Å; L168-N190 PolarHBondContact N-OD1 2.89Å
169L96.9Very high94.2Very high0 Ų040.1 Ų40.10%019%0.192CC..  trans-65.5124.6-175.6-59.4177.1000110.3L146 L149 V164 N167 N190 R191 L192L146-L169 HydrophobicContact CB-CD2 4.17Å; L146-L169 PolarHBondContact O-N 2.93Å; L149-L169 HydrophobicContact CD1-CD1 4.4Å; L149-L169 HydrophobicContact CG-CD1 4.3Å; L149-L169 HydrophobicContact CG-CD2 4.22Å; V164-L169 HydrophobicContact CB-CD1 3.95Å; V164-L169 HydrophobicContact CG2-CD1 3.62Å; N167-L169 HydrophobicContact CB-CG 4.21Å; L169-N190 HydrophobicContact CB-CB 4.24Å; L169-N190 VanDerWaalsContact CB-OD1 3.28Å; L169-N190 WeakPolarHBondContact CB-OD1 3.11Å; L169-N190 VanDerWaalsContact CG-OD1 3.3Å; L169-N190 WeakPolarHBondContact CG-OD1 3.11Å; L169-N190 PolarHBondContact N-OD1 2.92Å; L169-R191 CarbonylContact O-C 3.1Å; L169-R191 VanDerWaalsContact O-CA 3.26Å; L169-R191 WeakPolarHBondContact O-CA 3.43Å; L169-R191 PolarHBondContact O-N 2.8Å; L169-L192 HydrophobicContact CB-CD2 3.91Å; L169-L192 PolarHBondContact O-N 3.38Å; L169-L192 VanDerWaalsContact O-N 3.14Å
170S92.4Very high93.7Very high51 Ų5146.4 Ų46.436%0.35722%0.221SC..SBendtrans-92.3-25.9174.560.30000113.2L168 R191 L192 T193L168-S170 PolarHBondContact O-N 3.04Å; S170-R191 WeakPolarHBondContact CA-O 3.24Å; S170-L192 WeakPolarHBondContact O-CA 3.05Å; S170-T193 PolarHBondContact O-N 3.11Å; S170-T193 VanDerWaalsContact O-N 3.11Å; S170-T193 PolarHBondContact O-OG1 2.91Å
171H89.2Confident93.6Very high80 Ų8049.9 Ų49.937%0.3723%0.231SC..  trans-152.7168.2177.162.173.7000110.3F194H171-F194 HydrophobicContact CB-CE1 4.2Å; H171-F194 HydrophobicContact CB-CE2 4.39Å; H171-F194 HydrophobicContact CB-CZ 3.86Å
172V93.4Very high93.5Very high4 Ų447.7 Ų47.72%0.02422%0.219CC..  trans-118.8135.2175.1179.80000108.3L176 M187 L192 L195V172-L176 HydrophobicContact CG1-CB 3.96Å; V172-L176 HydrophobicContact CG1-CD2 3.38Å; V172-L176 HydrophobicContact CG1-CG 4.23Å; V172-M187 HydrophobicContact CG1-SD 4.32Å; V172-M187 HydrophobicContact CG2-CE 4.15Å; V172-M187 HydrophobicContact CG2-SD 3.44Å; V172-M187 WeakPolarHBondContact CG2-SD 3.37Å; V172-L192 HydrophobicContact CG2-CD1 4.43Å; V172-L192 HydrophobicContact CG2-CD2 3.79Å; V172-L195 HydrophobicContact CG2-CD2 4.38Å
173P91.7Very high93.3Very high11 Ų1149.4 Ų49.47%0.07123%0.228CC..  trans-61.7139.2179.126-34.7000111.1L149 D151 Q175 L176L149-P173 HydrophobicContact CB-CG 4.16Å; D151-P173 WeakPolarHBondContact OD1-CB 3.08Å; P173-Q175 PolarHBondContact O-N 2.82Å; P173-Q175 VanDerWaalsContact O-N 3.16Å; P173-L176 VanDerWaalsContact O-CB 3.28Å; P173-L176 WeakPolarHBondContact O-CB 3.18Å; P173-L176 PolarHBondContact O-N 3.19Å
174R87.2Confident93.1Very high150 Ų15050.9 Ų50.957%0.56623%0.233SC*.G310 helixtrans-59.8-28.6179.7-177177.8179.7-138.82.3112.1L176 C177 P196 D198R174-L176 PolarHBondContact O-N 3.45Å; R174-C177 VanDerWaalsContact O-CB 3.25Å; R174-C177 WeakPolarHBondContact O-CB 3.33Å; R174-C177 PolarHBondContact O-N 2.74Å; R174-C177 PolarHBondContact O-SG 3.12Å; R174-P196 HydrophobicContact CB-CB 4.5Å; R174-P196 HydrophobicContact CG-CB 4.41Å; R174-D198 IonicContact CZ-OD2 3.9Å; R174-D198 IonicContact NE-OD2 3.98Å; R174-D198 PolarHBondContact NE-OD2 3.38Å; R174-D198 IonicContact NH2-OD2 2.84Å; R174-D198 PolarHBondContact NH2-OD2 2.95Å
175Q91.6Very high93Very high46 Ų4650.9 Ų50.922%0.21523%0.233CC..G310 helixtrans-60.8-22.2178-63.186.5-30.700112D151 H154 P173 C177 W178D151-Q175 VanDerWaalsContact CG-NE2 3.33Å; D151-Q175 PolarHBondContact OD2-NE2 3.05Å; H154-Q175 HydrophobicContact CB-CB 4.01Å; H154-Q175 VanDerWaalsContact CB-O 3.22Å; H154-Q175 WeakPolarHBondContact CB-O 3.37Å; P173-Q175 PolarHBondContact O-N 2.82Å; P173-Q175 VanDerWaalsContact O-N 3.16Å; Q175-C177 PolarHBondContact O-N 2.81Å; Q175-C177 VanDerWaalsContact O-N 3.16Å; Q175-W178 HydrophobicContact CB-CD2 4.49Å; Q175-W178 HydrophobicContact CB-CE3 3.99Å; Q175-W178 HydrophobicContact CB-CZ3 4.15Å; Q175-W178 HydrophobicContact CG-CE3 4.02Å; Q175-W178 HydrophobicContact CG-CH2 4Å; Q175-W178 HydrophobicContact CG-CZ3 3.64Å; Q175-W178 WeakPolarHBondContact O-CB 3.45Å; Q175-W178 PolarHBondContact O-N 2.87Å
176L91.6Very high92.9Very high5 Ų550 Ų503%0.02623%0.228CC..G310 helixtrans-57.9-28.8173.1-162.876.8000112L153 L162 V172 P173 R174 W178 L179 L185L153-L176 HydrophobicContact CD2-CD1 4.03Å; L162-L176 HydrophobicContact CD2-CD1 3.67Å; L162-L176 HydrophobicContact CD2-CD2 4.39Å; V172-L176 HydrophobicContact CG1-CB 3.96Å; V172-L176 HydrophobicContact CG1-CD2 3.38Å; V172-L176 HydrophobicContact CG1-CG 4.23Å; P173-L176 VanDerWaalsContact O-CB 3.28Å; P173-L176 WeakPolarHBondContact O-CB 3.18Å; P173-L176 PolarHBondContact O-N 3.19Å; R174-L176 PolarHBondContact O-N 3.45Å; L176-W178 PolarHBondContact O-N 3.11Å; L176-W178 VanDerWaalsContact O-N 3.13Å; L176-L179 HydrophobicContact CD1-CD1 3.39Å; L176-L179 HydrophobicContact CD1-CG 4.46Å; L176-L179 HydrophobicContact CG-CD1 4.03Å; L176-L179 WeakPolarHBondContact O-CB 3.12Å; L176-L179 PolarHBondContact O-N 3.08Å; L176-L185 HydrophobicContact CD2-CD1 4.02Å; L176-L185 HydrophobicContact CD2-CD2 3.69Å
177C87.4Confident92.9Very high25 Ų2545.6 Ų45.617%0.16921%0.208CC..G310 helixtrans-65.1-12.4175.7-55.90000113.8R174 Q175 D198 L199R174-C177 VanDerWaalsContact O-CB 3.25Å; R174-C177 WeakPolarHBondContact O-CB 3.33Å; R174-C177 PolarHBondContact O-N 2.74Å; R174-C177 PolarHBondContact O-SG 3.12Å; Q175-C177 PolarHBondContact O-N 2.81Å; Q175-C177 VanDerWaalsContact O-N 3.16Å; C177-D198 HydrophobicContact CB-CB 4.26Å; C177-L199 PolarHBondContact SG-N 2.8Å
178W90.9Very high92.2Very high125 Ų12545.9 Ų45.947%0.47321%0.211SC..G310 helixtrans-90.9-1.9177.8-55.5-21.4000113.4H154 Q175 L176 H180H154-W178 HydrophobicContact CB-CB 4.29Å; H154-W178 HydrophobicContact CB-CE3 4.27Å; H154-W178 AromaticContact CD2-CE3 3.72Å; H154-W178 AromaticContact CG-CE3 3.88Å; Q175-W178 HydrophobicContact CB-CD2 4.49Å; Q175-W178 HydrophobicContact CB-CE3 3.99Å; Q175-W178 HydrophobicContact CB-CZ3 4.15Å; Q175-W178 HydrophobicContact CG-CE3 4.02Å; Q175-W178 HydrophobicContact CG-CH2 4Å; Q175-W178 HydrophobicContact CG-CZ3 3.64Å; Q175-W178 WeakPolarHBondContact O-CB 3.45Å; Q175-W178 PolarHBondContact O-N 2.87Å; L176-W178 PolarHBondContact O-N 3.11Å; L176-W178 VanDerWaalsContact O-N 3.13Å; W178-H180 VanDerWaalsContact C-N 3.31Å; W178-H180 PolarHBondContact O-CD2 3.41Å; W178-H180 VanDerWaalsContact O-CD2 3.3Å; W178-H180 PolarHBondContact O-N 2.87Å; W178-H180 PolarHBondContact O-NE2 3.18Å
179L94.4Very high91.6Very high5 Ų543.9 Ų43.93%0.02620%0.204CC..  trans-72.188.8171.2-67.2173.2000109.9C156 L159 L176 R181 L182C156-L179 WeakPolarHBondContact O-CD2 3.15Å; L159-L179 HydrophobicContact CB-CD2 4.32Å; L159-L179 HydrophobicContact CD2-CD1 3.98Å; L176-L179 HydrophobicContact CD1-CD1 3.39Å; L176-L179 HydrophobicContact CD1-CG 4.46Å; L176-L179 HydrophobicContact CG-CD1 4.03Å; L176-L179 WeakPolarHBondContact O-CB 3.12Å; L176-L179 PolarHBondContact O-N 3.08Å; L179-R181 VanDerWaalsContact C-N 3.25Å; L179-R181 PolarHBondContact O-N 3.1Å; L179-L182 HydrophobicContact CB-CB 3.76Å; L179-L182 HydrophobicContact CB-CD2 4.43Å; L179-L182 HydrophobicContact CD1-CD1 4.37Å; L179-L182 HydrophobicContact CD1-CD2 4.12Å; L179-L182 WeakPolarHBondContact O-CB 3.22Å; L179-L182 PolarHBondContact O-N 3.3Å
180H89.5Confident91.4Very high133 Ų13344.3 Ų44.362%0.61621%0.206SC*.THydrogen-bonded Turntrans-65.8-26.9-173.1-60.5-53.1000113.6W178 S202 E204W178-H180 VanDerWaalsContact C-N 3.31Å; W178-H180 PolarHBondContact O-CD2 3.41Å; W178-H180 VanDerWaalsContact O-CD2 3.3Å; W178-H180 PolarHBondContact O-N 2.87Å; W178-H180 PolarHBondContact O-NE2 3.18Å; H180-S202 PolarHBondContact O-OG 3.04Å; H180-E204 WeakPolarHBondContact O-CB 3.1Å; H180-E204 WeakPolarHBondContact O-CG 3.33Å
181R95.4Very high91.4Very high147 Ų14749.1 Ų49.156%0.55522%0.216SC*.THydrogen-bonded Turntrans-95.8-1.9179.4-70.2-171.5172.5179.5-0.8114.5L157 L159 Q160 L179 N183L157-R181 WeakPolarHBondContact O-CD 3.29Å; L159-R181 CarbonylContact O-C 3.26Å; Q160-R181 WeakPolarHBondContact CA-O 3.38Å; L179-R181 VanDerWaalsContact C-N 3.25Å; L179-R181 PolarHBondContact O-N 3.1Å; R181-N183 PolarHBondContact O-N 2.99Å; R181-N183 VanDerWaalsContact O-N 3.13Å
182L96.7Very high91.3Very high3 Ų345.3 Ų45.32%0.01620%0.199CC..  trans-64.8117.9-178-169.872.3000109.4L159 Q160 L162 L179 L185 E204 L205L159-L182 HydrophobicContact CD2-CD1 4.48Å; L159-L182 HydrophobicContact CG-CD1 4.34Å; L159-L182 WeakPolarHBondContact O-CA 3.48Å; L159-L182 PolarHBondContact O-N 3.47Å; L159-L182 VanDerWaalsContact O-N 3.08Å; Q160-L182 WeakPolarHBondContact O-CD1 3.19Å; L162-L182 HydrophobicContact CB-CD1 3.85Å; L179-L182 HydrophobicContact CB-CB 3.76Å; L179-L182 HydrophobicContact CB-CD2 4.43Å; L179-L182 HydrophobicContact CD1-CD1 4.37Å; L179-L182 HydrophobicContact CD1-CD2 4.12Å; L179-L182 WeakPolarHBondContact O-CB 3.22Å; L179-L182 PolarHBondContact O-N 3.3Å; L182-L185 HydrophobicContact CD2-CB 4.07Å; L182-L185 HydrophobicContact CD2-CD1 4.45Å; L182-L185 HydrophobicContact CD2-CD2 4.31Å; L182-E204 CarbonylContact O-C 3.42Å; L182-E204 VanDerWaalsContact O-C 3.31Å; L182-L205 HydrophobicContact CD2-CD1 4.06Å; L182-L205 HydrophobicContact CG-CD1 4.02Å; L182-L205 WeakPolarHBondContact O-CA 3.31Å; L182-L205 WeakPolarHBondContact O-CB 3.14Å; L182-L205 PolarHBondContact O-N 3.2Å
183N93.4Very high90.7Very high36 Ų3647.9 Ų47.919%0.19321%0.214CC..  trans-101.5-40.9179.7180-93.8000112.1Q160 R181 E204 Q206 F207Q160-N183 PolarHBondContact O-N 3.36Å; R181-N183 PolarHBondContact O-N 2.99Å; R181-N183 VanDerWaalsContact O-N 3.13Å; N183-E204 WeakPolarHBondContact CA-O 3.32Å; N183-E204 PolarHBondContact ND2-O 3.39Å; N183-Q206 VanDerWaalsContact ND2-CD 3.31Å; N183-Q206 PolarHBondContact ND2-OE1 3.27Å; N183-Q206 PolarHBondContact O-N 3.45Å; N183-F207 PolarHBondContact O-N 3.09Å
184Q92.8Very high90Very high60 Ų6052.8 Ų52.828%0.2824%0.235SC..EExtended strand (participates in β ladder)trans-126.4127-179-179.8171.4-21.200111.1Q160 N161 L162 F207 F209Q160-Q184 PolarHBondContact O-N 3.24Å; N161-Q184 WeakPolarHBondContact CA-O 3.41Å; L162-Q184 PolarHBondContact N-O 2.88Å; Q184-F207 WeakPolarHBondContact CA-O 3.43Å; Q184-F207 HydrophobicContact CB-CB 4.2Å; Q184-F207 HydrophobicContact CG-CB 3.99Å; Q184-F209 HydrophobicContact CG-CE2 4.28Å
185L96.1Very high89.8Confident0 Ų046 Ų460%021%0.21CC..EExtended strand (participates in β ladder)trans-126.4113.7175.2178.657000109.8L162 L176 L182 M187 L199 L205 F207 V208 F209L162-L185 HydrophobicContact CB-CD1 4.03Å; L162-L185 HydrophobicContact CD2-CD1 3.82Å; L162-L185 HydrophobicContact CG-CD1 3.97Å; L162-L185 CarbonylContact O-C 3.54Å; L162-L185 WeakPolarHBondContact O-CA 3.19Å; L176-L185 HydrophobicContact CD2-CD1 4.02Å; L176-L185 HydrophobicContact CD2-CD2 3.69Å; L182-L185 HydrophobicContact CD2-CB 4.07Å; L182-L185 HydrophobicContact CD2-CD1 4.45Å; L182-L185 HydrophobicContact CD2-CD2 4.31Å; L185-M187 HydrophobicContact CD1-CG 3.72Å; L185-M187 HydrophobicContact CD1-SD 3.81Å; L185-M187 HydrophobicContact CD2-CE 3.67Å; L185-M187 HydrophobicContact CD2-CG 4.47Å; L185-M187 HydrophobicContact CD2-SD 3.84Å; L185-M187 HydrophobicContact CG-CE 3.97Å; L185-M187 HydrophobicContact CG-CG 3.86Å; L185-M187 HydrophobicContact CG-SD 3.87Å; L185-L199 HydrophobicContact CD2-CD1 3.97Å; L185-L199 HydrophobicContact CD2-CD2 4.27Å; L185-L205 HydrophobicContact CB-CD1 3.93Å; L185-F207 PolarHBondContact N-O 2.86Å; L185-V208 HydrophobicContact CB-CG2 4.48Å; L185-V208 CarbonylContact O-C 3.54Å; L185-V208 VanDerWaalsContact O-CA 3.22Å; L185-V208 WeakPolarHBondContact O-CA 3.42Å; L185-F209 PolarHBondContact O-N 2.85Å
186S89.9Confident89.3Confident8 Ų844.4 Ų44.46%0.05620%0.204CC..EExtended strand (participates in β ladder)trans-111.4124.1174.7-150.40000109.4L162 V164 D165 F209L162-S186 PolarHBondContact O-N 3.14Å; V164-S186 VanDerWaalsContact CG2-O 3.28Å; V164-S186 WeakPolarHBondContact CG2-O 3.27Å; V164-S186 PolarHBondContact N-O 2.75Å; D165-S186 WeakPolarHBondContact OD1-CB 3.3Å; D165-S186 PolarHBondContact OD1-OG 2.86Å; D165-S186 WeakPolarHBondContact OD2-CB 3.44Å; D165-S186 PolarHBondContact OD2-OG 3.47Å; S186-F209 WeakPolarHBondContact OG-CB 3.15Å
187M94.6Very high88.4Confident0 Ų050.9 Ų50.90%024%0.237CC..  trans-138.830.1178.9-45.3-176.7-71.200110.9V164 D165 V172 L185 N190 L192 L195 L199 F209 V210 N213V164-M187 HydrophobicContact CG2-CB 3.92Å; V164-M187 HydrophobicContact CG2-CG 3.52Å; V164-M187 HydrophobicContact CG2-SD 4.43Å; D165-M187 WeakPolarHBondContact OD1-CA 3.37Å; D165-M187 PolarHBondContact OD1-N 3.09Å; V172-M187 HydrophobicContact CG1-SD 4.32Å; V172-M187 HydrophobicContact CG2-CE 4.15Å; V172-M187 HydrophobicContact CG2-SD 3.44Å; V172-M187 WeakPolarHBondContact CG2-SD 3.37Å; L185-M187 HydrophobicContact CD1-CG 3.72Å; L185-M187 HydrophobicContact CD1-SD 3.81Å; L185-M187 HydrophobicContact CD2-CE 3.67Å; L185-M187 HydrophobicContact CD2-CG 4.47Å; L185-M187 HydrophobicContact CD2-SD 3.84Å; L185-M187 HydrophobicContact CG-CE 3.97Å; L185-M187 HydrophobicContact CG-CG 3.86Å; L185-M187 HydrophobicContact CG-SD 3.87Å; M187-N190 PolarHBondContact O-ND2 3.09Å; M187-N190 VanDerWaalsContact O-ND2 3.14Å; M187-L192 HydrophobicContact CB-CD1 3.96Å; M187-L192 HydrophobicContact CE-CD1 4.34Å; M187-L195 HydrophobicContact CE-CD2 3.68Å; M187-L199 HydrophobicContact CE-CD2 4.23Å; M187-F209 CarbonylContact C-O 3.51Å; M187-F209 PolarHBondContact N-O 3.3Å; M187-V210 HydrophobicContact CE-CG1 3.96Å; M187-N213 PolarHBondContact O-ND2 2.85Å
188A83.7Confident87.9Confident12 Ų1251.4 Ų51.410%0.09924%0.238CC..  trans-65.7156.4179.300000111.6D165 H166 N190 F209 D211D165-A188 CarbonylContact C-O 3.15Å; D165-A188 WeakPolarHBondContact CA-O 3.03Å; D165-A188 HydrophobicContact CB-CB 4.49Å; D165-A188 PolarHBondContact OD1-N 3.26Å; H166-A188 PolarHBondContact N-O 2.89Å; A188-N190 PolarHBondContact O-N 3.12Å; A188-N190 PolarHBondContact O-ND2 2.84Å; A188-N190 VanDerWaalsContact O-ND2 3.11Å; A188-F209 PolarHBondContact N-O 3.23Å; A188-D211 CarbonylContact C-O 3.59Å; A188-D211 WeakPolarHBondContact CA-O 3.04Å; A188-D211 HydrophobicContact CB-CB 4.09Å; A188-D211 WeakPolarHBondContact CB-O 3.19Å
189A85.9Confident87.3Confident20 Ų2045.6 Ų45.617%0.16522%0.217CC..SBendtrans51.553.6178.900000112.9H166 N167 D211 N212H166-A189 WeakPolarHBondContact CA-O 3.29Å; H166-A189 HydrophobicContact CB-CB 4.47Å; H166-A189 VanDerWaalsContact CE1-CB 3.49Å; H166-A189 WeakPolarHBondContact CE1-CB 3.08Å; H166-A189 PolarHBondContact N-O 3.43Å; H166-A189 WeakPolarHBondContact ND1-CB 3.45Å; N167-A189 PolarHBondContact N-O 3.35Å; A189-D211 PolarHBondContact N-O 3.11Å; A189-N212 WeakPolarHBondContact CA-O 2.83Å; A189-N212 HydrophobicContact CB-CB 4.15Å
190N92.4Very high86.2Confident9 Ų945.8 Ų45.85%0.04822%0.22CC..SBendtrans-119.6-168.1173.8-86.2-81.4000110V164 N167 L168 L169 M187 A188 L192 N213V164-N190 PolarHBondContact O-ND2 3.31Å; N167-N190 WeakPolarHBondContact CA-OD1 3.47Å; N167-N190 WeakPolarHBondContact CB-OD1 3.11Å; N167-N190 PolarHBondContact N-OD1 3.32Å; N167-N190 PolarHBondContact O-OD1 3.25Å; L168-N190 PolarHBondContact N-OD1 2.89Å; L169-N190 HydrophobicContact CB-CB 4.24Å; L169-N190 VanDerWaalsContact CB-OD1 3.28Å; L169-N190 WeakPolarHBondContact CB-OD1 3.11Å; L169-N190 VanDerWaalsContact CG-OD1 3.3Å; L169-N190 WeakPolarHBondContact CG-OD1 3.11Å; L169-N190 PolarHBondContact N-OD1 2.92Å; M187-N190 PolarHBondContact O-ND2 3.09Å; M187-N190 VanDerWaalsContact O-ND2 3.14Å; A188-N190 PolarHBondContact O-N 3.12Å; A188-N190 PolarHBondContact O-ND2 2.84Å; A188-N190 VanDerWaalsContact O-ND2 3.11Å; N190-L192 HydrophobicContact CB-CD1 4.44Å; N190-L192 HydrophobicContact CB-CG 4Å; N190-N213 VanDerWaalsContact CA-OD1 3.27Å; N190-N213 WeakPolarHBondContact CA-OD1 3.04Å; N190-N213 WeakPolarHBondContact CB-OD1 3.37Å; N190-N213 PolarHBondContact N-OD1 3.46Å; N190-N213 PolarHBondContact O-OD1 2.82Å
191R92.2Very high85.6Confident152 Ų15247.5 Ų47.557%0.57422%0.221SC*.  trans-11332.2177.1-58.8-177.8-179.2-175.4-0.9111.4L169 S170 T193 N213L169-R191 CarbonylContact O-C 3.1Å; L169-R191 VanDerWaalsContact O-CA 3.26Å; L169-R191 WeakPolarHBondContact O-CA 3.43Å; L169-R191 PolarHBondContact O-N 2.8Å; S170-R191 WeakPolarHBondContact CA-O 3.24Å; R191-T193 PolarHBondContact O-N 3.36Å; R191-N213 PolarHBondContact N-OD1 3.42Å
192L85.6Confident85Confident0 Ų041.7 Ų41.70%020%0.203CC..  trans-65.8128.9-172.6-63.1173.1000110.5L169 S170 V172 M187 N190 L195 N213 D215 L216L169-L192 HydrophobicContact CB-CD2 3.91Å; L169-L192 PolarHBondContact O-N 3.38Å; L169-L192 VanDerWaalsContact O-N 3.14Å; S170-L192 WeakPolarHBondContact O-CA 3.05Å; V172-L192 HydrophobicContact CG2-CD1 4.43Å; V172-L192 HydrophobicContact CG2-CD2 3.79Å; M187-L192 HydrophobicContact CB-CD1 3.96Å; M187-L192 HydrophobicContact CE-CD1 4.34Å; N190-L192 HydrophobicContact CB-CD1 4.44Å; N190-L192 HydrophobicContact CB-CG 4Å; L192-L195 HydrophobicContact CD1-CD2 4.01Å; L192-N213 HydrophobicContact CB-CB 4.21Å; L192-N213 VanDerWaalsContact CB-OD1 3.23Å; L192-N213 WeakPolarHBondContact CB-OD1 2.79Å; L192-N213 VanDerWaalsContact CG-OD1 3.23Å; L192-N213 WeakPolarHBondContact CG-OD1 3.4Å; L192-N213 PolarHBondContact N-OD1 3.41Å; L192-D215 CarbonylContact O-C 3.4Å; L192-L216 VanDerWaalsContact O-CA 3.23Å; L192-L216 WeakPolarHBondContact O-CA 3.4Å; L192-L216 WeakPolarHBondContact O-CB 3.31Å; L192-L216 PolarHBondContact O-N 3.25Å
193T81.4Confident84.2Confident58 Ų5852.3 Ų52.336%0.35624%0.243SC..  trans-97.2-32.9177.554.30000112.2S170 R191 D215 K217S170-T193 PolarHBondContact O-N 3.11Å; S170-T193 VanDerWaalsContact O-N 3.11Å; S170-T193 PolarHBondContact O-OG1 2.91Å; R191-T193 PolarHBondContact O-N 3.36Å; T193-D215 HydrophobicContact CG2-CB 4Å; T193-K217 PolarHBondContact O-N 3.14Å
194F77.9Confident84Confident115 Ų11555.2 Ų55.250%0.50426%0.255SS..  trans-150.3163.6176.465.2-89.1000110.7H171H171-F194 HydrophobicContact CB-CE1 4.2Å; H171-F194 HydrophobicContact CB-CE2 4.39Å; H171-F194 HydrophobicContact CB-CZ 3.86Å
195L81.9Confident83.8Confident8 Ų852.6 Ų52.64%0.04224%0.243CC..  trans-116.9151.1170.4-62.5172.2000109.4V172 M187 L192 L197 L199 V210 L216 L219 P220 L223V172-L195 HydrophobicContact CG2-CD2 4.38Å; M187-L195 HydrophobicContact CE-CD2 3.68Å; L192-L195 HydrophobicContact CD1-CD2 4.01Å; L195-L197 PolarHBondContact O-N 3.48Å; L195-L199 HydrophobicContact CB-CD2 4.18Å; L195-L199 HydrophobicContact CD1-CD2 4.23Å; L195-L199 HydrophobicContact CD2-CD2 4.2Å; L195-L199 HydrophobicContact CG-CD2 4.44Å; L195-V210 HydrophobicContact CD1-CG1 4.17Å; L195-L216 HydrophobicContact CD1-CD2 4.35Å; L195-L216 HydrophobicContact CG-CD1 4.05Å; L195-L219 HydrophobicContact CD1-CD2 3.73Å; L195-P220 HydrophobicContact CB-CG 3.82Å; L195-L223 HydrophobicContact CD1-CD1 4.09Å
196P80.7Confident83Confident12 Ų1256.9 Ų56.98%0.07826%0.263CS..  trans-56.1133.2173.5-23.733.2000111.4R174 D198 L199 P220R174-P196 HydrophobicContact CB-CB 4.5Å; R174-P196 HydrophobicContact CG-CB 4.41Å; P196-D198 PolarHBondContact O-N 3.26Å; P196-D198 VanDerWaalsContact O-N 3.1Å; P196-L199 HydrophobicContact CB-CB 4.46Å; P196-L199 WeakPolarHBondContact O-CB 3.49Å; P196-L199 PolarHBondContact O-N 3.04Å; P196-P220 WeakPolarHBondContact O-CG 3.23Å
197L73.9Confident82.5Confident140 Ų14059.7 Ų59.773%0.73327%0.274SS*.THydrogen-bonded Turntrans-59.9-25.3-177.4-66175000113.6L195 Y222L195-L197 PolarHBondContact O-N 3.48Å; L197-Y222 WeakPolarHBondContact O-CD2 3.46Å
198D77.5Confident82Confident36 Ų3659.7 Ų59.719%0.19327%0.274CS..THydrogen-bonded Turntrans-85.8-4.8178.8-60.9-53.1000113.3R174 C177 P196 G200 R201R174-D198 IonicContact CZ-OD2 3.9Å; R174-D198 IonicContact NE-OD2 3.98Å; R174-D198 PolarHBondContact NE-OD2 3.38Å; R174-D198 IonicContact NH2-OD2 2.84Å; R174-D198 PolarHBondContact NH2-OD2 2.95Å; C177-D198 HydrophobicContact CB-CB 4.26Å; P196-D198 PolarHBondContact O-N 3.26Å; P196-D198 VanDerWaalsContact O-N 3.1Å; D198-G200 PolarHBondContact O-N 3.46Å; D198-R201 WeakPolarHBondContact O-CB 3.28Å; D198-R201 PolarHBondContact O-N 3.3Å; D198-R201 VanDerWaalsContact O-N 3.12Å
199L78.3Confident81.8Confident4 Ų461.8 Ų61.82%0.02128%0.281CS..THydrogen-bonded Turntrans-65.8127.5180-17267000109.7C177 L185 M187 L195 P196 L205 P220 L223C177-L199 PolarHBondContact SG-N 2.8Å; L185-L199 HydrophobicContact CD2-CD1 3.97Å; L185-L199 HydrophobicContact CD2-CD2 4.27Å; M187-L199 HydrophobicContact CE-CD2 4.23Å; L195-L199 HydrophobicContact CB-CD2 4.18Å; L195-L199 HydrophobicContact CD1-CD2 4.23Å; L195-L199 HydrophobicContact CD2-CD2 4.2Å; L195-L199 HydrophobicContact CG-CD2 4.44Å; P196-L199 HydrophobicContact CB-CB 4.46Å; P196-L199 WeakPolarHBondContact O-CB 3.49Å; P196-L199 PolarHBondContact O-N 3.04Å; L199-L205 HydrophobicContact CD1-CD2 4.27Å; L199-P220 HydrophobicContact CB-CG 4.39Å; L199-L223 HydrophobicContact CD2-CD1 4.24Å; L199-L223 HydrophobicContact CG-CD1 4.49Å; L199-L223 HydrophobicContact CG-CD2 4.3Å; L199-L223 WeakPolarHBondContact O-CG 3.23Å
200G70.9Confident81.4Confident8 Ų860.8 Ų60.88%0.08227%0.273CS..THydrogen-bonded Turntrans99.5-9.8-172.600000115.1D198 S202 Y222 K226D198-G200 PolarHBondContact O-N 3.46Å; G200-S202 PolarHBondContact O-N 3.04Å; G200-Y222 VanDerWaalsContact C-CB 3.44Å; G200-K226 WeakPolarHBondContact O-CE 3.26Å
201R76.6Confident80.7Confident170 Ų17061.6 Ų61.664%0.64228%0.277SS*.  trans-63.9-26.4177.9-173.1174.1176.8164.1-0.5112.9D198 Y222D198-R201 WeakPolarHBondContact O-CB 3.28Å; D198-R201 PolarHBondContact O-N 3.3Å; D198-R201 VanDerWaalsContact O-N 3.12Å; R201-Y222 HydrophobicContact CB-CD2 4.38Å; R201-Y222 HydrophobicContact CB-CG 4.31Å
202S82.9Confident79.7Confident25 Ų2558.6 Ų58.618%0.17527%0.273CS..SBendtrans-64136.1173.1-176.70000110.9H180 G200 E204 K226H180-S202 PolarHBondContact O-OG 3.04Å; G200-S202 PolarHBondContact O-N 3.04Å; S202-E204 VanDerWaalsContact C-N 3.3Å; S202-E204 PolarHBondContact OG-N 3.43Å; S202-K226 PolarHBondContact O-NZ 2.7Å
203R79.6Confident79Confident226 Ų22658.6 Ų58.685%0.85327%0.273SS*.SBendtrans-70.3-31.8173.3-67.4-176.8-179.5173.70111.4K226R203-K226 PolarHBondContact O-NZ 3.25Å
204E89.1Confident78.6Confident97 Ų9758.9 Ų58.945%0.45327%0.274SS..SBendtrans-69.8-34.8-178.2-60.4-53.314400113H180 L182 N183 S202 Q206H180-E204 WeakPolarHBondContact O-CB 3.1Å; H180-E204 WeakPolarHBondContact O-CG 3.33Å; L182-E204 CarbonylContact O-C 3.42Å; L182-E204 VanDerWaalsContact O-C 3.31Å; N183-E204 WeakPolarHBondContact CA-O 3.32Å; N183-E204 PolarHBondContact ND2-O 3.39Å; S202-E204 VanDerWaalsContact C-N 3.3Å; S202-E204 PolarHBondContact OG-N 3.43Å; E204-Q206 WeakPolarHBondContact O-CG 3.1Å; E204-Q206 PolarHBondContact O-N 3.13Å
205L87.9Confident78.5Confident5 Ų557.7 Ų57.73%0.02627%0.273CS..  trans-67.1109.5-178.5-174.762.9000109.3L182 L185 L199 V208 L223 K226L182-L205 HydrophobicContact CD2-CD1 4.06Å; L182-L205 HydrophobicContact CG-CD1 4.02Å; L182-L205 WeakPolarHBondContact O-CA 3.31Å; L182-L205 WeakPolarHBondContact O-CB 3.14Å; L182-L205 PolarHBondContact O-N 3.2Å; L185-L205 HydrophobicContact CB-CD1 3.93Å; L199-L205 HydrophobicContact CD1-CD2 4.27Å; L205-V208 HydrophobicContact CD1-CG2 3.94Å; L205-V208 HydrophobicContact CD2-CG2 3.72Å; L205-V208 HydrophobicContact CG-CG2 3.74Å; L205-L223 HydrophobicContact CD2-CD2 4.41Å; L205-K226 WeakPolarHBondContact O-CD 3.23Å; L205-K226 WeakPolarHBondContact O-CE 3.19Å; L205-K226 PolarHBondContact O-NZ 3.17Å
206Q80.1Confident78.1Confident90 Ų9057.6 Ų57.642%0.42127%0.273SS..  trans-111.3-34.8-175.4-75172.919.200112.1N183 E204 V227N183-Q206 VanDerWaalsContact ND2-CD 3.31Å; N183-Q206 PolarHBondContact ND2-OE1 3.27Å; N183-Q206 PolarHBondContact O-N 3.45Å; E204-Q206 WeakPolarHBondContact O-CG 3.1Å; E204-Q206 PolarHBondContact O-N 3.13Å; Q206-V227 PolarHBondContact O-N 2.87Å
207F79.2Confident77.4Confident67 Ų6766.6 Ų66.629%0.29431%0.31SS..EExtended strand (participates in β ladder)trans-119.7121.7-172.9-56.8-84.2000110.4N183 Q184 L185 F209 V227N183-F207 PolarHBondContact O-N 3.09Å; Q184-F207 WeakPolarHBondContact CA-O 3.43Å; Q184-F207 HydrophobicContact CB-CB 4.2Å; Q184-F207 HydrophobicContact CG-CB 3.99Å; L185-F207 PolarHBondContact N-O 2.86Å; F207-F209 HydrophobicContact CB-CE2 3.89Å; F207-F209 HydrophobicContact CB-CZ 4.32Å; F207-V227 CarbonylContact C-O 3.31Å; F207-V227 WeakPolarHBondContact CA-O 3.48Å; F207-V227 HydrophobicContact CD1-CB 3.6Å; F207-V227 HydrophobicContact CD1-CG1 3.78Å; F207-V227 HydrophobicContact CD1-CG2 4.04Å; F207-V227 HydrophobicContact CE1-CB 3.94Å; F207-V227 HydrophobicContact CE1-CG1 4.14Å; F207-V227 HydrophobicContact CE1-CG2 3.84Å; F207-V227 HydrophobicContact CG-CB 4.49Å
208V83.1Confident76.8Confident0 Ų061.8 Ų61.80%030%0.295CS..EExtended strand (participates in β ladder)trans-132.8108.7179.2-177.90000110.9L185 L205 V210 L223 V227 I228 G229L185-V208 HydrophobicContact CB-CG2 4.48Å; L185-V208 CarbonylContact O-C 3.54Å; L185-V208 VanDerWaalsContact O-CA 3.22Å; L185-V208 WeakPolarHBondContact O-CA 3.42Å; L205-V208 HydrophobicContact CD1-CG2 3.94Å; L205-V208 HydrophobicContact CD2-CG2 3.72Å; L205-V208 HydrophobicContact CG-CG2 3.74Å; V208-V210 HydrophobicContact CG1-CG1 4.09Å; V208-L223 HydrophobicContact CB-CD2 4.34Å; V208-L223 HydrophobicContact CG1-CD1 4.26Å; V208-L223 HydrophobicContact CG1-CD2 4.38Å; V208-L223 HydrophobicContact CG2-CD2 3.79Å; V208-V227 PolarHBondContact N-O 2.91Å; V208-I228 HydrophobicContact CB-CG1 4.44Å; V208-I228 CarbonylContact O-C 3.37Å; V208-I228 WeakPolarHBondContact O-CA 3.26Å; V208-I228 WeakPolarHBondContact O-CG2 2.84Å; V208-G229 PolarHBondContact O-N 3.5Å
209F80.3Confident76.4Confident55 Ų5561.1 Ų61.124%0.24129%0.291CS..EExtended strand (participates in β ladder)trans-103.5124.4178.6-53.7-86000109.8Q184 L185 S186 M187 A188 F207Q184-F209 HydrophobicContact CG-CE2 4.28Å; L185-F209 PolarHBondContact O-N 2.85Å; S186-F209 WeakPolarHBondContact OG-CB 3.15Å; M187-F209 CarbonylContact C-O 3.51Å; M187-F209 PolarHBondContact N-O 3.3Å; A188-F209 PolarHBondContact N-O 3.23Å; F207-F209 HydrophobicContact CB-CE2 3.89Å; F207-F209 HydrophobicContact CB-CZ 4.32Å
210V78.3Confident76Confident0 Ų061.3 Ų61.30%029%0.293CS..  trans-134.716.7-179.3-660000111.4M187 L195 V208 N213 L216 L219 I228 G229 C230 C233M187-V210 HydrophobicContact CE-CG1 3.96Å; L195-V210 HydrophobicContact CD1-CG1 4.17Å; V208-V210 HydrophobicContact CG1-CG1 4.09Å; V210-N213 PolarHBondContact O-ND2 2.87Å; V210-L216 HydrophobicContact CB-CD2 4.09Å; V210-L216 HydrophobicContact CG2-CD2 4.12Å; V210-L219 HydrophobicContact CG2-CD2 3.9Å; V210-I228 HydrophobicContact CG2-CG2 4.29Å; V210-G229 VanDerWaalsContact CG2-O 3.25Å; V210-G229 WeakPolarHBondContact CG2-O 3.07Å; V210-G229 PolarHBondContact N-O 3.27Å; V210-C230 HydrophobicContact CG2-CB 4.04Å; V210-C233 PolarHBondContact O-SG 3.04Å
211D76.4Confident75.6Confident25 Ų2564.6 Ų64.613%0.13431%0.314CS..THydrogen-bonded Turntrans-49.3150.4177.9-52.9-97.7000111.3A188 A189 N213 G229 C230 S231A188-D211 CarbonylContact C-O 3.59Å; A188-D211 WeakPolarHBondContact CA-O 3.04Å; A188-D211 HydrophobicContact CB-CB 4.09Å; A188-D211 WeakPolarHBondContact CB-O 3.19Å; A189-D211 PolarHBondContact N-O 3.11Å; D211-N213 VanDerWaalsContact C-N 3.3Å; D211-N213 PolarHBondContact O-N 3.4Å; D211-N213 PolarHBondContact O-ND2 2.76Å; D211-G229 PolarHBondContact N-O 3.38Å; D211-G229 VanDerWaalsContact OD1-C 3.26Å; D211-G229 WeakPolarHBondContact OD2-CA 2.84Å; D211-C230 PolarHBondContact OD1-N 2.96Å; D211-S231 CarbonylContact C-O 2.82Å; D211-S231 WeakPolarHBondContact CA-O 3.12Å; D211-S231 WeakPolarHBondContact CB-O 3.39Å; D211-S231 VanDerWaalsContact OD1-CB 3.24Å; D211-S231 WeakPolarHBondContact OD1-CB 3.45Å; D211-S231 PolarHBondContact OD1-N 3.41Å; D211-S231 PolarHBondContact OD1-OG 3.14Å
212N71.7Confident75.2Confident90 Ų9061.5 Ų61.548%0.48130%0.303SS..THydrogen-bonded Turntrans5736.4175.4-56.4-32.5000114.8A189 S231A189-N212 WeakPolarHBondContact CA-O 2.83Å; A189-N212 HydrophobicContact CB-CB 4.15Å; N212-S231 PolarHBondContact N-O 2.89Å; N212-S231 PolarHBondContact OD1-O 3.36Å
213N71.6Confident74.4Confident0 Ų060.3 Ų60.30%030%0.295CS..  trans-10488.2163.8-75.4-85.1000109.3M187 N190 R191 L192 V210 D211 D215 L216 C233M187-N213 PolarHBondContact O-ND2 2.85Å; N190-N213 VanDerWaalsContact CA-OD1 3.27Å; N190-N213 WeakPolarHBondContact CA-OD1 3.04Å; N190-N213 WeakPolarHBondContact CB-OD1 3.37Å; N190-N213 PolarHBondContact N-OD1 3.46Å; N190-N213 PolarHBondContact O-OD1 2.82Å; R191-N213 PolarHBondContact N-OD1 3.42Å; L192-N213 HydrophobicContact CB-CB 4.21Å; L192-N213 VanDerWaalsContact CB-OD1 3.23Å; L192-N213 WeakPolarHBondContact CB-OD1 2.79Å; L192-N213 VanDerWaalsContact CG-OD1 3.23Å; L192-N213 WeakPolarHBondContact CG-OD1 3.4Å; L192-N213 PolarHBondContact N-OD1 3.41Å; V210-N213 PolarHBondContact O-ND2 2.87Å; D211-N213 VanDerWaalsContact C-N 3.3Å; D211-N213 PolarHBondContact O-N 3.4Å; D211-N213 PolarHBondContact O-ND2 2.76Å; N213-D215 VanDerWaalsContact C-N 3.27Å; N213-D215 PolarHBondContact O-N 2.97Å; N213-L216 HydrophobicContact CB-CB 3.79Å; N213-L216 HydrophobicContact CB-CD2 4.23Å; N213-L216 VanDerWaalsContact O-CB 3.3Å; N213-L216 WeakPolarHBondContact O-CB 3.33Å; N213-L216 PolarHBondContact O-N 2.82Å; N213-L216 VanDerWaalsContact O-N 3.12Å; N213-C233 WeakPolarHBondContact O-CA 3.35Å
214V73.4Confident73.3Confident63 Ų6355.6 Ų55.638%0.38228%0.278SS..THydrogen-bonded Turntrans-61.1-34.1-170.4-64.60000113.4L216 G234V214-L216 VanDerWaalsContact C-N 3.33Å; V214-L216 PolarHBondContact O-N 2.81Å; V214-G234 WeakPolarHBondContact O-CA 3.42Å; V214-G234 PolarHBondContact O-N 3.45Å; V214-G234 VanDerWaalsContact O-N 3.08Å
215D75.2Confident71.7Confident90 Ų9058 Ų5848%0.48129%0.294SS..THydrogen-bonded Turntrans-87-0.6-178.3-61.6-49.4000113.7L192 T193 N213 K217L192-D215 CarbonylContact O-C 3.4Å; T193-D215 HydrophobicContact CG2-CB 4Å; N213-D215 VanDerWaalsContact C-N 3.27Å; N213-D215 PolarHBondContact O-N 2.97Å; D215-K217 PolarHBondContact O-N 3.37Å; D215-K217 VanDerWaalsContact O-N 3.15Å
216L72.4Confident70.4Confident7 Ų759.6 Ų59.64%0.03730%0.301CS..  trans-74.5107.7-176.4-177.359.2000110.3L192 L195 V210 N213 V214 L219L192-L216 VanDerWaalsContact O-CA 3.23Å; L192-L216 WeakPolarHBondContact O-CA 3.4Å; L192-L216 WeakPolarHBondContact O-CB 3.31Å; L192-L216 PolarHBondContact O-N 3.25Å; L195-L216 HydrophobicContact CD1-CD2 4.35Å; L195-L216 HydrophobicContact CG-CD1 4.05Å; V210-L216 HydrophobicContact CB-CD2 4.09Å; V210-L216 HydrophobicContact CG2-CD2 4.12Å; N213-L216 HydrophobicContact CB-CB 3.79Å; N213-L216 HydrophobicContact CB-CD2 4.23Å; N213-L216 VanDerWaalsContact O-CB 3.3Å; N213-L216 WeakPolarHBondContact O-CB 3.33Å; N213-L216 PolarHBondContact O-N 2.82Å; N213-L216 VanDerWaalsContact O-N 3.12Å; V214-L216 VanDerWaalsContact C-N 3.33Å; V214-L216 PolarHBondContact O-N 2.81Å; L216-L219 HydrophobicContact CD2-CD2 3.7Å; L216-L219 HydrophobicContact CG-CD2 4.39Å
217K66.7Low69.2Low200 Ų20059 Ų5987%0.8730%0.303SS*.  trans-79.9-16.7-171.7-65.7-178.3-178.41770114.9T193 D215T193-K217 PolarHBondContact O-N 3.14Å; D215-K217 PolarHBondContact O-N 3.37Å; D215-K217 VanDerWaalsContact O-N 3.15Å
218G61.6Low68.2Low40 Ų4056.1 Ų56.141%0.41229%0.291SS..  trans178.4162-178.300000113.3
219L69.6Low66.9Low22 Ų2256.2 Ų56.212%0.11529%0.291CS..  trans-106.1142.7176.9-53.5-175.5000110.8L195 V210 L216 I228 C230 Y327L195-L219 HydrophobicContact CD1-CD2 3.73Å; V210-L219 HydrophobicContact CG2-CD2 3.9Å; L216-L219 HydrophobicContact CD2-CD2 3.7Å; L216-L219 HydrophobicContact CG-CD2 4.39Å; L219-I228 HydrophobicContact CD1-CD1 4.1Å; L219-I228 HydrophobicContact CD1-CG2 3.93Å; L219-C230 HydrophobicContact CD1-CB 4.48Å; L219-Y327 WeakPolarHBondContact CB-OH 3.38Å; L219-Y327 WeakPolarHBondContact CD1-OH 3.45Å; L219-Y327 WeakPolarHBondContact CG-OH 3.25Å
220P69.7Low65.7Low7 Ų755 Ų555%0.04529%0.29CS..  trans-56.5147.4170.7-27.133.4000113.2L195 P196 L199 Y222 L223L195-P220 HydrophobicContact CB-CG 3.82Å; P196-P220 WeakPolarHBondContact O-CG 3.23Å; L199-P220 HydrophobicContact CB-CG 4.39Å; P220-Y222 VanDerWaalsContact C-N 3.26Å; P220-Y222 PolarHBondContact O-N 2.8Å; P220-L223 HydrophobicContact CB-CG 4.47Å; P220-L223 HydrophobicContact CG-CD1 4.35Å; P220-L223 PolarHBondContact O-N 2.8Å; P220-L223 VanDerWaalsContact O-N 3.09Å
221S62.8Low64.2Low77 Ų7758 Ų5854%0.53831%0.311SS..G310 helixtrans-64.3-29.5-175.760.20000114.3L223 Y224S221-L223 PolarHBondContact O-N 3.42Å; S221-Y224 VanDerWaalsContact CA-CD2 3.42Å; S221-Y224 VanDerWaalsContact CA-CE2 3.41Å; S221-Y224 WeakPolarHBondContact O-CD2 3.47Å; S221-Y224 PolarHBondContact O-N 2.81Å
222Y68.1Low62.5Low105 Ų10557.8 Ų57.841%0.41231%0.314SS..G310 helixtrans-68.4-16.1178-63.1-68.9000113.9L197 G200 R201 P220L197-Y222 WeakPolarHBondContact O-CD2 3.46Å; G200-Y222 VanDerWaalsContact C-CB 3.44Å; R201-Y222 HydrophobicContact CB-CD2 4.38Å; R201-Y222 HydrophobicContact CB-CG 4.31Å; P220-Y222 VanDerWaalsContact C-N 3.26Å; P220-Y222 PolarHBondContact O-N 2.8Å
223L65.6Low61.4Low0 Ų055.2 Ų55.20%030%0.303CS..G310 helixtrans-81-17.7177.1-63.6-178.4000113L195 L199 L205 V208 P220 S221 N225 K226 I228L195-L223 HydrophobicContact CD1-CD1 4.09Å; L199-L223 HydrophobicContact CD2-CD1 4.24Å; L199-L223 HydrophobicContact CG-CD1 4.49Å; L199-L223 HydrophobicContact CG-CD2 4.3Å; L199-L223 WeakPolarHBondContact O-CG 3.23Å; L205-L223 HydrophobicContact CD2-CD2 4.41Å; V208-L223 HydrophobicContact CB-CD2 4.34Å; V208-L223 HydrophobicContact CG1-CD1 4.26Å; V208-L223 HydrophobicContact CG1-CD2 4.38Å; V208-L223 HydrophobicContact CG2-CD2 3.79Å; P220-L223 HydrophobicContact CB-CG 4.47Å; P220-L223 HydrophobicContact CG-CD1 4.35Å; P220-L223 PolarHBondContact O-N 2.8Å; P220-L223 VanDerWaalsContact O-N 3.09Å; S221-L223 PolarHBondContact O-N 3.42Å; L223-N225 PolarHBondContact O-N 2.76Å; L223-N225 VanDerWaalsContact O-N 3.12Å; L223-K226 HydrophobicContact CD2-CG 4.47Å; L223-K226 VanDerWaalsContact O-CB 3.29Å; L223-K226 WeakPolarHBondContact O-CB 3.04Å; L223-K226 PolarHBondContact O-N 2.97Å; L223-I228 HydrophobicContact CB-CD1 3.84Å; L223-I228 HydrophobicContact CB-CG1 4.33Å; L223-I228 WeakPolarHBondContact O-CD1 3.07Å
224Y57.1Low59.8Low127 Ų12757.9 Ų57.950%0.49833%0.33SS..THydrogen-bonded Turntrans-60.7-27.4-174.6-68.4-56.3000114.6S221 K226 Y327S221-Y224 VanDerWaalsContact CA-CD2 3.42Å; S221-Y224 VanDerWaalsContact CA-CE2 3.41Å; S221-Y224 WeakPolarHBondContact O-CD2 3.47Å; S221-Y224 PolarHBondContact O-N 2.81Å; Y224-K226 VanDerWaalsContact C-N 3.28Å; Y224-Y327 HydrophobicContact CE1-CE1 4.02Å; Y224-Y327 HydrophobicContact CE1-CE2 4.41Å; Y224-Y327 AromaticContact CE1-CZ 3.65Å; Y224-Y327 WeakPolarHBondContact CE1-OH 2.78Å
225N55.8Low58.4Low147 Ų14760.5 Ų60.579%0.78634%0.341SS*.THydrogen-bonded Turntrans-89.18.2177-65.1-24000113.1L223L223-N225 PolarHBondContact O-N 2.76Å; L223-N225 VanDerWaalsContact O-N 3.12Å
226K59.8Low56.6Low40 Ų4061.2 Ų61.217%0.17435%0.354CS..SBendtrans-109.4156.3-176-50.1-52.5-166.7159.10110.4G200 S202 R203 L205 L223 Y224 I228G200-K226 WeakPolarHBondContact O-CE 3.26Å; S202-K226 PolarHBondContact O-NZ 2.7Å; R203-K226 PolarHBondContact O-NZ 3.25Å; L205-K226 WeakPolarHBondContact O-CD 3.23Å; L205-K226 WeakPolarHBondContact O-CE 3.19Å; L205-K226 PolarHBondContact O-NZ 3.17Å; L223-K226 HydrophobicContact CD2-CG 4.47Å; L223-K226 VanDerWaalsContact O-CB 3.29Å; L223-K226 WeakPolarHBondContact O-CB 3.04Å; L223-K226 PolarHBondContact O-N 2.97Å; Y224-K226 VanDerWaalsContact C-N 3.28Å; K226-I228 PolarHBondContact O-N 2.55Å; K226-I228 VanDerWaalsContact O-N 3.15Å
227V55.9Low54.9Low76 Ų7666.3 Ų66.346%0.46139%0.39SS..EExtended strand (participates in β ladder)trans-69.8112.6168.8179.40000106.9Q206 F207 V208Q206-V227 PolarHBondContact O-N 2.87Å; F207-V227 CarbonylContact C-O 3.31Å; F207-V227 WeakPolarHBondContact CA-O 3.48Å; F207-V227 HydrophobicContact CD1-CB 3.6Å; F207-V227 HydrophobicContact CD1-CG1 3.78Å; F207-V227 HydrophobicContact CD1-CG2 4.04Å; F207-V227 HydrophobicContact CE1-CB 3.94Å; F207-V227 HydrophobicContact CE1-CG1 4.14Å; F207-V227 HydrophobicContact CE1-CG2 3.84Å; F207-V227 HydrophobicContact CG-CB 4.49Å; V208-V227 PolarHBondContact N-O 2.91Å
228I57Low53.3Low8 Ų866 Ų664%0.04139%0.391CS..EExtended strand (participates in β ladder)trans-109.8143.5179.1-62.9151.8000109.9V208 V210 L219 L223 K226 C230 K329V208-I228 HydrophobicContact CB-CG1 4.44Å; V208-I228 CarbonylContact O-C 3.37Å; V208-I228 WeakPolarHBondContact O-CA 3.26Å; V208-I228 WeakPolarHBondContact O-CG2 2.84Å; V210-I228 HydrophobicContact CG2-CG2 4.29Å; L219-I228 HydrophobicContact CD1-CD1 4.1Å; L219-I228 HydrophobicContact CD1-CG2 3.93Å; L223-I228 HydrophobicContact CB-CD1 3.84Å; L223-I228 HydrophobicContact CB-CG1 4.33Å; L223-I228 WeakPolarHBondContact O-CD1 3.07Å; K226-I228 PolarHBondContact O-N 2.55Å; K226-I228 VanDerWaalsContact O-N 3.15Å; I228-C230 HydrophobicContact CG2-CB 3.9Å; I228-K329 VanDerWaalsContact O-CE 3.26Å; I228-K329 WeakPolarHBondContact O-CE 3.09Å; I228-K329 PolarHBondContact O-NZ 3.15Å
229G55.6Low52Low1 Ų168.2 Ų68.21%0.0141%0.406CS..EExtended strand (participates in β ladder)trans-103.2130154.900000108.8V208 V210 D211V208-G229 PolarHBondContact O-N 3.5Å; V210-G229 VanDerWaalsContact CG2-O 3.25Å; V210-G229 WeakPolarHBondContact CG2-O 3.07Å; V210-G229 PolarHBondContact N-O 3.27Å; D211-G229 PolarHBondContact N-O 3.38Å; D211-G229 VanDerWaalsContact OD1-C 3.26Å; D211-G229 WeakPolarHBondContact OD2-CA 2.84Å
230C55.3Low50.5Low31 Ų3175.3 Ų75.321%0.20944%0.443CS..  trans-150.121.2-176.262.70000114V210 D211 L219 I228 G232 C233V210-C230 HydrophobicContact CG2-CB 4.04Å; D211-C230 PolarHBondContact OD1-N 2.96Å; L219-C230 HydrophobicContact CD1-CB 4.48Å; I228-C230 HydrophobicContact CG2-CB 3.9Å; C230-G232 PolarHBondContact O-N 3.25Å; C230-C233 PolarHBondContact O-SG 2.96Å
231S46.7Very low48.5Very low62 Ų6284.3 Ų84.343%0.43449%0.485SS..THydrogen-bonded Turntrans-58.6134175.5-38.20000109.2D211 N212 C233D211-S231 CarbonylContact C-O 2.82Å; D211-S231 WeakPolarHBondContact CA-O 3.12Å; D211-S231 WeakPolarHBondContact CB-O 3.39Å; D211-S231 VanDerWaalsContact OD1-CB 3.24Å; D211-S231 WeakPolarHBondContact OD1-CB 3.45Å; D211-S231 PolarHBondContact OD1-N 3.41Å; D211-S231 PolarHBondContact OD1-OG 3.14Å; N212-S231 PolarHBondContact N-O 2.89Å; N212-S231 PolarHBondContact OD1-O 3.36Å; S231-C233 PolarHBondContact O-N 3.15Å
232G40.7Very low47.1Very low21 Ų2184.9 Ų84.922%0.21650%0.502CS..THydrogen-bonded Turntrans79.59.2175.200000117C230C230-G232 PolarHBondContact O-N 3.25Å
233C49.6Very low45.1Very low36 Ų3683.5 Ų83.524%0.24352%0.52CS..THydrogen-bonded Turntrans-79.4139.4170.7-57.30000111V210 N213 C230 S231 L235V210-C233 PolarHBondContact O-SG 3.04Å; N213-C233 WeakPolarHBondContact O-CA 3.35Å; C230-C233 PolarHBondContact O-SG 2.96Å; S231-C233 PolarHBondContact O-N 3.15Å; C233-L235 VanDerWaalsContact C-N 3.29Å; C233-L235 PolarHBondContact O-N 3.18Å
234G37.3Very low43.1Very low55 Ų5589.1 Ų89.157%0.56756%0.559SS**THydrogen-bonded Turntrans74.19175.200000116.1V214V214-G234 WeakPolarHBondContact O-CA 3.42Å; V214-G234 PolarHBondContact O-N 3.45Å; V214-G234 VanDerWaalsContact O-N 3.08Å
235L44.4Very low42Very low118 Ų11892.4 Ų92.462%0.61858%0.582SS**  trans-80.2124.1175-68.3175.3000110.3C233 S237C233-L235 VanDerWaalsContact C-N 3.29Å; C233-L235 PolarHBondContact O-N 3.18Å; L235-S237 PolarHBondContact O-N 3.07Å
236S36.8Very low40.7Very low106 Ų10687.8 Ų87.874%0.74157%0.569SS**  trans-67.9125.3174.655.40000110.8Q238S236-Q238 VanDerWaalsContact C-N 3.25Å; S236-Q238 PolarHBondContact O-N 3.27Å
237S36.2Very low39.2Very low114 Ų11494.8 Ų94.880%0.79760%0.602SS**THydrogen-bonded Turntrans-67.763.3-177179.20000114.5L235L235-S237 PolarHBondContact O-N 3.07Å
238Q33.8Very low37.7Very low192 Ų19299.2 Ų99.290%0.89762%0.622SS**THydrogen-bonded Turntrans-1305.1167.7-76-168.1-10.600114.5S236S236-Q238 VanDerWaalsContact C-N 3.25Å; S236-Q238 PolarHBondContact O-N 3.27Å
239A35.1Very low36.5Very low87 Ų87107.4 Ų107.472%0.71967%0.665SS**SBendtrans-114.532.5-17000000115
240L36.2Very low35.4Very low172 Ų172113 Ų11390%0.90170%0.7SS**  trans-146.858178.8-75.7171.5000113.4
241E29.5Very low34.2Very low196 Ų196121 Ų12192%0.91673%0.734SS**SBendtrans-140113.9149.1-75.4-162.8165.500110.3
242G32.9Very low33.3Very low88 Ų88122.7 Ų122.791%0.90775%0.752SS**SBendtrans60.292.7155.100000118.2
243G26.3Very low32.6Very low77 Ų77130.2 Ų130.279%0.79479%0.786SS**  trans177.7128.8163.400000114
244S23.8Very low31.6Very low117 Ų117135.1 Ų135.182%0.81882%0.815SS**  trans-27.9133.4176-173.90000116.9G246S244-G246 VanDerWaalsContact C-N 3.3Å; S244-G246 PolarHBondContact O-N 3.12Å
245M32.8Very low31Very low197 Ų197135.6 Ų135.697%0.9782%0.82SS**SBendtrans-73.964.9178.2-111.1-78.6-75.700113.1
246G28.6Very low30.1Very low50 Ų50137.4 Ų137.452%0.51583%0.829SS.*SBendtrans-174.3131.1172.600000111S244S244-G246 VanDerWaalsContact C-N 3.3Å; S244-G246 PolarHBondContact O-N 3.12Å
247E27.7Very low29.6Very low186 Ų186136.7 Ų136.787%0.86982%0.822SS**SBendtrans77.782174.5-53.2179.6159.500116.2
248L26.2Very low29.4Very low169 Ų169136.1 Ų136.189%0.88582%0.824SS**  trans-171.854.9145.2-101150.3000110.4
249L30.4Very low29.4Very low180 Ų180135.1 Ų135.194%0.94282%0.82SS**  trans-110.828.2171.3-92175.1000112.7
250T32.3Very low29.1Very low120 Ų120137 Ų13774%0.73682%0.822SS**  trans-136.4100.1178.920.60000108.8
251E30.6Very low28.9Very low197 Ų197137.6 Ų137.692%0.92182%0.817SS**SBendtrans148.181.3142.6-80.5178.9-177.400111.8
252A27.5Very low28.9Very low99 Ų99135.1 Ų135.182%0.81882%0.815SS**  trans-170.249.7144.300000110.1V254A252-V254 PolarHBondContact O-N 3.5Å
253L26.6Very low29Very low178 Ų178137 Ų13793%0.93280%0.803SS**  trans-85.995.9165.2-94.8152.4000107.6G255L253-G255 PolarHBondContact O-N 3.38Å
254V28.8Very low29.3Very low139 Ų139136 Ų13684%0.84279%0.793SS**  trans-71107.3161.1178.50000106.4A252A252-V254 PolarHBondContact O-N 3.5Å
255G24.3Very low29.9Very low66 Ų66133.9 Ų133.968%0.6878%0.778SS**PPolyproline II helixtrans-64132.7179.200000111.9L253L253-G255 PolarHBondContact O-N 3.38Å
256L24.8Very low29.8Very low156 Ų156134.4 Ų134.482%0.81778%0.778SS**PPolyproline II helixtrans-70.1142.6167.9-75.8157.9000109.7
257P27.6Very low29.9Very low91 Ų91137.9 Ų137.959%0.59179%0.79SS**PPolyproline II helixtrans-65.2147.7176.3-10.924.3000111.3E259P257-E259 PolarHBondContact O-N 2.87Å
258A31.2Very low30.3Very low101 Ų101133.6 Ų133.684%0.83577%0.773SS**THydrogen-bonded Turntrans-66.66.1-173.300000116
259E34Very low30.8Very low172 Ų172133.7 Ų133.780%0.80477%0.774SS**THydrogen-bonded Turntrans-104.11.5-172.8-71.7148.3-172.500114P257 K261P257-E259 PolarHBondContact O-N 2.87Å; E259-K261 PolarHBondContact O-N 3.38Å
260V29.7Very low31.1Very low126 Ų126131.3 Ų131.376%0.76477%0.767SS**  trans-8365.6169.4-167.60000109.6
261K30.7Very low31.2Very low184 Ų184128.3 Ų128.380%0.875%0.748SS**  trans-121.8127.5159.9-85.5-178176.3176.30107.2E259E259-K261 PolarHBondContact O-N 3.38Å
262V30.5Very low31.6Very low144 Ų144122.5 Ų122.587%0.87373%0.727SS**  trans97114.3172.7-166.40000115.1
263I34.2Very low32Very low127 Ų127123.6 Ų123.665%0.65172%0.719SS**PPolyproline II helixtrans-81.8123167.3-66.9155.1000106.9
264G33.8Very low32.5Very low58 Ų58122 Ų12260%0.59871%0.707SS**PPolyproline II helixtrans-67.5161.3178.900000114.1D268G264-D268 WeakPolarHBondContact CA-OD2 3.41Å
265S34.7Very low33Very low72 Ų72119.3 Ų119.350%0.50369%0.685SS.*PPolyproline II helixtrans-102.4167.1-172.380.70000112.4T267 D268S265-T267 PolarHBondContact O-N 3.26Å; S265-T267 PolarHBondContact OG-OG1 2.72Å; S265-D268 PolarHBondContact N-OD2 3.34Å; S265-D268 PolarHBondContact O-N 3.4Å
266H32.2Very low33.8Very low207 Ų207120.8 Ų120.896%0.95868%0.677SS**THydrogen-bonded Turntrans-61.50.6-173.5-61.5-70.6000116.7
267T30.7Very low34.6Very low124 Ų124115.9 Ų115.976%0.76166%0.658SS**THydrogen-bonded Turntrans-106.6-3.3177.556.40000113.2S265 N269S265-T267 PolarHBondContact O-N 3.26Å; S265-T267 PolarHBondContact OG-OG1 2.72Å; T267-N269 PolarHBondContact O-N 3.4Å
268D35.3Very low35.1Very low96 Ų96118.2 Ų118.251%0.51366%0.663SS.*  trans-80.2118.7-178.3-66-38.7000110.4G264 S265 V270G264-D268 WeakPolarHBondContact CA-OD2 3.41Å; S265-D268 PolarHBondContact N-OD2 3.34Å; S265-D268 PolarHBondContact O-N 3.4Å; D268-V270 PolarHBondContact O-N 2.75Å; D268-V270 VanDerWaalsContact O-N 3.16Å
269N36.3Very low35.6Very low170 Ų170119.9 Ų119.991%0.90965%0.648SS**  trans-73.2106.2-178.6-136.4-1.2000109.3T267 V271T267-N269 PolarHBondContact O-N 3.4Å; N269-V271 PolarHBondContact O-N 3.24Å
270V36.6Very low36Very low131 Ų131115.2 Ų115.279%0.79463%0.631SS**PPolyproline II helixtrans-83.5116.6-178.2-174.40000109.5D268D268-V270 PolarHBondContact O-N 2.75Å; D268-V270 VanDerWaalsContact O-N 3.16Å
271V35.2Very low36.4Very low57 Ų57114 Ų11435%0.34562%0.619SS.*PPolyproline II helixtrans-67.9142.7-179.5-136.90000110.4N269 E275N269-V271 PolarHBondContact O-N 3.24Å; V271-E275 HydrophobicContact CG1-CB 3.94Å; V271-E275 HydrophobicContact CG1-CG 3.72Å
272P38.6Very low36.9Very low75 Ų75110.6 Ų110.649%0.48761%0.605SS.*PPolyproline II helixtrans-57153-179.3-25.434.7000113.6E274 E275 L276P272-E274 PolarHBondContact O-N 2.72Å; P272-E275 WeakPolarHBondContact O-CA 3.23Å; P272-E275 WeakPolarHBondContact O-CB 3.27Å; P272-E275 PolarHBondContact O-N 2.75Å; P272-L276 PolarHBondContact O-N 2.75Å
273L35.8Very low37.3Very low122 Ų122112.9 Ų112.964%0.63960%0.598SS**Hα-helixtrans-60-35.5-176.3-172.369000112E275 L276 A277L273-E275 VanDerWaalsContact C-N 3.27Å; L273-E275 PolarHBondContact O-N 2.93Å; L273-L276 PolarHBondContact O-N 3.42Å; L273-A277 VanDerWaalsContact O-CB 3.27Å; L273-A277 WeakPolarHBondContact O-CB 3.48Å; L273-A277 PolarHBondContact O-N 3.11Å
274E38.1Very low37.7Very low144 Ų144112.4 Ų112.467%0.67360%0.595SS**Hα-helixtrans-61-38.3173.2-63.488.9176.500111.6P272 M278P272-E274 PolarHBondContact O-N 2.72Å; E274-M278 VanDerWaalsContact O-CB 3.22Å; E274-M278 WeakPolarHBondContact O-CB 3.5Å; E274-M278 WeakPolarHBondContact O-CG 3.37Å; E274-M278 PolarHBondContact O-N 3.48Å
275E39.5Very low38.1Very low83 Ų83117.7 Ų117.739%0.38860%0.599SS.*Hα-helixtrans-76.6-35.7179.3-175.4148.1172.800112.4V271 P272 L273 M278 R279V271-E275 HydrophobicContact CG1-CB 3.94Å; V271-E275 HydrophobicContact CG1-CG 3.72Å; P272-E275 WeakPolarHBondContact O-CA 3.23Å; P272-E275 WeakPolarHBondContact O-CB 3.27Å; P272-E275 PolarHBondContact O-N 2.75Å; L273-E275 VanDerWaalsContact C-N 3.27Å; L273-E275 PolarHBondContact O-N 2.93Å; E275-M278 PolarHBondContact O-N 3.42Å; E275-R279 HydrophobicContact CG-CG 4.21Å; E275-R279 VanDerWaalsContact O-CB 3.24Å; E275-R279 WeakPolarHBondContact O-CB 3.3Å; E275-R279 WeakPolarHBondContact O-CG 3.39Å; E275-R279 PolarHBondContact O-N 3.48Å; E275-R279 IonicContact OE1-CZ 3.21Å; E275-R279 IonicContact OE1-NE 2.98Å; E275-R279 PolarHBondContact OE1-NE 2.84Å; E275-R279 IonicContact OE1-NH2 2.7Å; E275-R279 PolarHBondContact OE1-NH2 3.16Å
276L40.8Very low38.3Very low97 Ų97120.6 Ų120.651%0.50860%0.604SS.*Hα-helixtrans-66.3-41.5173.3-161.676.7000111.2P272 L273 R279 T280P272-L276 PolarHBondContact O-N 2.75Å; L273-L276 PolarHBondContact O-N 3.42Å; L276-R279 PolarHBondContact O-N 3.08Å; L276-T280 WeakPolarHBondContact O-CB 3.44Å; L276-T280 PolarHBondContact O-N 2.98Å; L276-T280 PolarHBondContact O-OG1 3.04Å
277A40.3Very low38.9Very low52 Ų52118.1 Ų118.143%0.4359%0.593SS.*Hα-helixtrans-64-45.1174.100000111.4L273 T280 M281L273-A277 VanDerWaalsContact O-CB 3.27Å; L273-A277 WeakPolarHBondContact O-CB 3.48Å; L273-A277 PolarHBondContact O-N 3.11Å; A277-T280 PolarHBondContact O-N 2.87Å; A277-M281 WeakPolarHBondContact O-CB 3.38Å; A277-M281 WeakPolarHBondContact O-CG 3.39Å; A277-M281 PolarHBondContact O-N 3.18Å
278M39.8Very low39.4Very low140 Ų140122.6 Ų122.669%0.6960%0.595SS**Hα-helixtrans-65.4-38176.9-76.1-73.4-96.100112.5E274 E275 H282E274-M278 VanDerWaalsContact O-CB 3.22Å; E274-M278 WeakPolarHBondContact O-CB 3.5Å; E274-M278 WeakPolarHBondContact O-CG 3.37Å; E274-M278 PolarHBondContact O-N 3.48Å; E275-M278 PolarHBondContact O-N 3.42Å; M278-H282 WeakPolarHBondContact O-CB 3.21Å; M278-H282 PolarHBondContact O-N 3.29Å
279R41.4Very low39.5Very low136 Ų136123.5 Ų123.551%0.51361%0.607SS.*Hα-helixtrans-70.3-35.1175.9-75173.2177.7-153.21.4112.7E275 L276 H282 R283E275-R279 HydrophobicContact CG-CG 4.21Å; E275-R279 VanDerWaalsContact O-CB 3.24Å; E275-R279 WeakPolarHBondContact O-CB 3.3Å; E275-R279 WeakPolarHBondContact O-CG 3.39Å; E275-R279 PolarHBondContact O-N 3.48Å; E275-R279 IonicContact OE1-CZ 3.21Å; E275-R279 IonicContact OE1-NE 2.98Å; E275-R279 PolarHBondContact OE1-NE 2.84Å; E275-R279 IonicContact OE1-NH2 2.7Å; E275-R279 PolarHBondContact OE1-NH2 3.16Å; L276-R279 PolarHBondContact O-N 3.08Å; R279-H282 PolarHBondContact O-N 3.26Å; R279-R283 WeakPolarHBondContact O-CB 3.49Å; R279-R283 PolarHBondContact O-N 3.25Å
280T41.5Very low39.7Very low74 Ų74120.5 Ų120.545%0.45461%0.605SS.*Hα-helixtrans-70.5-44.4176.4-53.50000110.4L276 A277 R283 I284L276-T280 WeakPolarHBondContact O-CB 3.44Å; L276-T280 PolarHBondContact O-N 2.98Å; L276-T280 PolarHBondContact O-OG1 3.04Å; A277-T280 PolarHBondContact O-N 2.87Å; T280-R283 PolarHBondContact O-N 3.35Å; T280-I284 HydrophobicContact CG2-CD1 4.04Å; T280-I284 WeakPolarHBondContact O-CB 3.47Å; T280-I284 WeakPolarHBondContact O-CD1 3.37Å; T280-I284 WeakPolarHBondContact O-CG1 3.37Å; T280-I284 PolarHBondContact O-N 3.43Å
281M39.2Very low40Very low102 Ų102117.7 Ų117.750%0.50260%0.603SS.*Hα-helixtrans-59.8-46.6170.6-70.2-69.9-7400111A277 R283 I284 Y285A277-M281 WeakPolarHBondContact O-CB 3.38Å; A277-M281 WeakPolarHBondContact O-CG 3.39Å; A277-M281 PolarHBondContact O-N 3.18Å; M281-R283 PolarHBondContact O-N 3.08Å; M281-I284 PolarHBondContact O-N 2.85Å; M281-Y285 HydrophobicContact CE-CE2 3.99Å; M281-Y285 WeakPolarHBondContact O-CB 3.19Å; M281-Y285 VanDerWaalsContact O-CD2 3.29Å; M281-Y285 WeakPolarHBondContact O-CD2 3.44Å; M281-Y285 PolarHBondContact O-N 2.9Å
282H41.6Very low40Very low112 Ų112122.5 Ų122.552%0.51963%0.626SS.*Hα-helixtrans-59-43.3176.4-177.4-81.2000112M278 R279 Y285 H286M278-H282 WeakPolarHBondContact O-CB 3.21Å; M278-H282 PolarHBondContact O-N 3.29Å; R279-H282 PolarHBondContact O-N 3.26Å; H282-Y285 PolarHBondContact O-N 3.42Å; H282-H286 AromaticContact CD2-CD2 3.76Å; H282-H286 AromaticContact CE1-CD2 3.62Å; H282-H286 AromaticContact CE1-CG 3.95Å; H282-H286 AromaticContact NE2-CD2 3.33Å; H282-H286 PolarHBondContact NE2-CD2 3.32Å; H282-H286 VanDerWaalsContact NE2-CD2 3.33Å; H282-H286 AromaticContact NE2-NE2 3.91Å; H282-H286 VanDerWaalsContact O-CB 3.31Å; H282-H286 WeakPolarHBondContact O-CB 3.16Å; H282-H286 PolarHBondContact O-N 3.27Å
283R38.3Very low39.9Very low191 Ų191126.9 Ų126.972%0.72165%0.645SS**Hα-helixtrans-62.7-44.1175.9-108.2-176.8-176.71741112.9R279 T280 M281 Y285 H287R279-R283 WeakPolarHBondContact O-CB 3.49Å; R279-R283 PolarHBondContact O-N 3.25Å; T280-R283 PolarHBondContact O-N 3.35Å; M281-R283 PolarHBondContact O-N 3.08Å; R283-Y285 PolarHBondContact O-N 2.88Å; R283-H287 PolarHBondContact O-N 2.9Å; R283-H287 VanDerWaalsContact O-N 3.11Å
284I42.5Very low39.9Very low117 Ų117128.6 Ų128.660%0.665%0.654SS**Hα-helixtrans-63.2-34.4178.3-68.9166.4000110.7T280 M281T280-I284 HydrophobicContact CG2-CD1 4.04Å; T280-I284 WeakPolarHBondContact O-CB 3.47Å; T280-I284 WeakPolarHBondContact O-CD1 3.37Å; T280-I284 WeakPolarHBondContact O-CG1 3.37Å; T280-I284 PolarHBondContact O-N 3.43Å; M281-I284 PolarHBondContact O-N 2.85Å
285Y41.2Very low39.6Very low170 Ų170129.4 Ų129.467%0.66766%0.662SS**Hα-helixtrans-87.3-31.5-179.8-86.3-89.9000114.6M281 H282 R283M281-Y285 HydrophobicContact CE-CE2 3.99Å; M281-Y285 WeakPolarHBondContact O-CB 3.19Å; M281-Y285 VanDerWaalsContact O-CD2 3.29Å; M281-Y285 WeakPolarHBondContact O-CD2 3.44Å; M281-Y285 PolarHBondContact O-N 2.9Å; H282-Y285 PolarHBondContact O-N 3.42Å; R283-Y285 PolarHBondContact O-N 2.88Å
286H38.8Very low39.2Very low132 Ų132130.9 Ų130.961%0.61168%0.679SS**Hα-helixtrans-97.9-15.8-174.6-100.9-74.5000115.7H282H282-H286 AromaticContact CD2-CD2 3.76Å; H282-H286 AromaticContact CE1-CD2 3.62Å; H282-H286 AromaticContact CE1-CG 3.95Å; H282-H286 AromaticContact NE2-CD2 3.33Å; H282-H286 PolarHBondContact NE2-CD2 3.32Å; H282-H286 VanDerWaalsContact NE2-CD2 3.33Å; H282-H286 AromaticContact NE2-NE2 3.91Å; H282-H286 VanDerWaalsContact O-CB 3.31Å; H282-H286 WeakPolarHBondContact O-CB 3.16Å; H282-H286 PolarHBondContact O-N 3.27Å
287H44.6Very low39.1Very low156 Ų156131.4 Ų131.472%0.72269%0.689SS**  trans-109.575.3170.4-79.93.8000109.7R283 P289R283-H287 PolarHBondContact O-N 2.9Å; R283-H287 VanDerWaalsContact O-N 3.11Å; H287-P289 WeakPolarHBondContact O-CD 3.16Å
288R41.5Very low38.9Very low217 Ų217136.6 Ų136.682%0.81971%0.707SS**  trans-74.2122.6165.1-78.2-175.5177.5-177.9-1.5109.6
289P37.8Very low38.5Very low115 Ų115136.3 Ų136.375%0.74771%0.707SS**  trans-69.4123.6140.9-1.319.7000106.6H287 G291H287-P289 WeakPolarHBondContact O-CD 3.16Å; P289-G291 PolarHBondContact O-N 3.4Å; P289-G291 VanDerWaalsContact O-N 3.09Å
290A41.3Very low38.2Very low107 Ų107137.1 Ų137.188%0.88472%0.721SS**THydrogen-bonded Turntrans-59.4114.1173.700000109.2
291G41.8Very low37.8Very low72 Ų72137.8 Ų137.874%0.74273%0.726SS**THydrogen-bonded Turntrans153.6-9.5168.200000119.6P289P289-G291 PolarHBondContact O-N 3.4Å; P289-G291 VanDerWaalsContact O-N 3.09Å
292L35.6Very low37.6Very low159 Ų159142.6 Ų142.683%0.83274%0.744SS**  trans-105.2101.3179.9-77.1163000112L294L292-L294 PolarHBondContact O-N 3.46Å
293N37Very low37.3Very low167 Ų167140.2 Ų140.289%0.89374%0.741SS**  trans-78.199.1167.8-78.8-21.1000109.5
294L36Very low37.1Very low157 Ų157137.6 Ų137.682%0.82274%0.74SS**PPolyproline II helixtrans-101.7116160.6-73.6164.6000108.1L292L292-L294 PolarHBondContact O-N 3.46Å
295L30.3Very low36.6Very low161 Ų161137.9 Ų137.984%0.84374%0.742SS**PPolyproline II helixtrans-68.3139.5174.6-77.6155.3000110.4
296P31.5Very low36.4Very low114 Ų114134.7 Ų134.774%0.7474%0.737SS**SBendtrans-79.8163.8171.633.1-32.5000111.9
297P38.4Very low36.1Very low109 Ų109133.7 Ų133.771%0.70874%0.735SS**  cis-114.5133.23.434.9-20.5000112.8I299P297-I299 PolarHBondContact O-N 3.46Å
298I36.3Very low35.6Very low161 Ų161129.3 Ų129.383%0.82672%0.717SS**  trans-75.9111.8164.1-60.5173000107L300I298-L300 PolarHBondContact O-N 2.7Å
299I32.7Very low35.4Very low134 Ų134127.9 Ų127.969%0.68771%0.712SS**PPolyproline II helixtrans-65.3120.6175.2-63.6166.7000108.1P297P297-I299 PolarHBondContact O-N 3.46Å
300L35Very low35.1Very low152 Ų152129.4 Ų129.480%0.79671%0.707SS**PPolyproline II helixtrans-56.1138.4168.3-85.5149.8000110I298I298-L300 PolarHBondContact O-N 2.7Å
301P32.7Very low34.9Very low88 Ų88125.1 Ų125.157%0.57167%0.67SS**PPolyproline II helixtrans-61.1140.617922.6-29.7000111.2S303P301-S303 VanDerWaalsContact C-N 3.33Å; P301-S303 PolarHBondContact O-N 2.98Å
302K34.8Very low34.6Very low203 Ų203127 Ų12788%0.88366%0.662SS**SBendtrans-77.5-2.8-161.7-74.2-176.8176.6178.90115.7
303S35.2Very low34.7Very low63 Ų63120.8 Ų120.844%0.44164%0.637SS.*  trans-148.7144.7175.4860000113.4P301 L305 D306P301-S303 VanDerWaalsContact C-N 3.33Å; P301-S303 PolarHBondContact O-N 2.98Å; S303-L305 PolarHBondContact O-N 2.56Å; S303-L305 WeakPolarHBondContact OG-CB 3.39Å; S303-D306 PolarHBondContact O-N 3.07Å
304L33.2Very low34.8Very low136 Ų136118.9 Ų118.971%0.71262%0.622SS**G310 helixtrans-55.2-15.7176-123.797.2000113.8D306 L307 L308L304-D306 VanDerWaalsContact C-N 3.29Å; L304-D306 PolarHBondContact O-N 2.98Å; L304-L307 PolarHBondContact O-N 3.5Å; L304-L308 WeakPolarHBondContact O-CG 2.87Å
305L33.3Very low34.8Very low123 Ų123113 Ų11364%0.64459%0.593SS**G310 helixtrans-64.9-30.5-178-149.883.3000112.8S303 L307 L308S303-L305 PolarHBondContact O-N 2.56Å; S303-L305 WeakPolarHBondContact OG-CB 3.39Å; L305-L307 VanDerWaalsContact C-N 3.31Å; L305-L308 HydrophobicContact CD1-CD1 3.68Å; L305-L308 HydrophobicContact CG-CD1 4.16Å; L305-L308 WeakPolarHBondContact O-CB 3.4Å; L305-L308 PolarHBondContact O-N 3.47Å
306D35.6Very low35Very low102 Ų102114.2 Ų114.255%0.54560%0.595SS.*G310 helixtrans-76.4-20.6179.1-67.7-38.5000112.6S303 L304S303-D306 PolarHBondContact O-N 3.07Å; L304-D306 VanDerWaalsContact C-N 3.29Å; L304-D306 PolarHBondContact O-N 2.98Å
307L32.8Very low35Very low112 Ų112120.6 Ų120.659%0.58660%0.604SS**G310 helixtrans-83.9-15.8174.2-88151.7000113.1L304 L305 R309 F310L304-L307 PolarHBondContact O-N 3.5Å; L305-L307 VanDerWaalsContact C-N 3.31Å; L307-R309 PolarHBondContact O-N 3.35Å; L307-F310 PolarHBondContact O-N 3.48Å
308L34.9Very low35.2Very low64 Ų64118.6 Ų118.634%0.33559%0.592SS.*G310 helixtrans-70.62.3178.8-51.5-179.4000114.2L304 L305 F310 L312L304-L308 WeakPolarHBondContact O-CG 2.87Å; L305-L308 HydrophobicContact CD1-CD1 3.68Å; L305-L308 HydrophobicContact CG-CD1 4.16Å; L305-L308 WeakPolarHBondContact O-CB 3.4Å; L305-L308 PolarHBondContact O-N 3.47Å; L308-F310 VanDerWaalsContact C-N 3.27Å; L308-L312 HydrophobicContact CB-CD1 3.86Å; L308-L312 HydrophobicContact CB-CD2 4.46Å; L308-L312 HydrophobicContact CD2-CD1 3.38Å; L308-L312 HydrophobicContact CD2-CD2 3.31Å; L308-L312 HydrophobicContact CD2-CG 3.9Å; L308-L312 HydrophobicContact CG-CD1 4.1Å; L308-L312 HydrophobicContact CG-CD2 4.37Å
309R36.4Very low35.4Very low187 Ų187115.4 Ų115.471%0.70658%0.584SS**G310 helixtrans-80.7-6.2171.1-70.7-171177.3-170.10.9113.4L307 T324L307-R309 PolarHBondContact O-N 3.35Å; R309-T324 WeakPolarHBondContact O-CB 3.49Å; R309-T324 PolarHBondContact O-OG1 2.69Å
310F32.9Very low35.5Very low147 Ų147114.4 Ų114.465%0.64558%0.576SS**SBendtrans-106.6162167.9-77.7-83.2000109.6L307 L308 L312 T324L307-F310 PolarHBondContact O-N 3.48Å; L308-F310 VanDerWaalsContact C-N 3.27Å; F310-L312 PolarHBondContact O-N 2.9Å; F310-T324 WeakPolarHBondContact CA-OG1 2.9Å; F310-T324 PolarHBondContact N-OG1 3.26Å; F310-T324 PolarHBondContact O-OG1 2.8Å
311P36.1Very low35.6Very low16 Ų16108.6 Ų108.610%0.10455%0.55CS..  trans-50.8140.3166.827.7-42.9000111.9M322 F323P311-M322 WeakPolarHBondContact CA-O 3.13Å; P311-M322 WeakPolarHBondContact CB-O 3.04Å; P311-F323 VanDerWaalsContact CB-CA 3.44Å; P311-F323 HydrophobicContact CB-CB 3.91Å; P311-F323 HydrophobicContact CB-CD1 3.89Å; P311-F323 HydrophobicContact CB-CD2 3.47Å; P311-F323 VanDerWaalsContact CB-CD2 3.47Å; P311-F323 HydrophobicContact CB-CE1 4.26Å; P311-F323 HydrophobicContact CB-CE2 3.92Å; P311-F323 HydrophobicContact CB-CG 3.43Å; P311-F323 VanDerWaalsContact CB-CG 3.43Å; P311-F323 HydrophobicContact CB-CZ 4.29Å; P311-F323 HydrophobicContact CG-CB 3.99Å; P311-F323 HydrophobicContact CG-CD1 3.04Å; P311-F323 HydrophobicContact CG-CD2 3.39Å; P311-F323 HydrophobicContact CG-CE1 3.13Å; P311-F323 HydrophobicContact CG-CE2 3.52Å; P311-F323 HydrophobicContact CG-CG 3.13Å; P311-F323 HydrophobicContact CG-CZ 3.39Å
312L35.5Very low35.9Very low113 Ų113108.7 Ų108.759%0.59254%0.544SS*.  trans-101.54.6-174.4-69.6154000113.4L308 F310L308-L312 HydrophobicContact CB-CD1 3.86Å; L308-L312 HydrophobicContact CB-CD2 4.46Å; L308-L312 HydrophobicContact CD2-CD1 3.38Å; L308-L312 HydrophobicContact CD2-CD2 3.31Å; L308-L312 HydrophobicContact CD2-CG 3.9Å; L308-L312 HydrophobicContact CG-CD1 4.1Å; L308-L312 HydrophobicContact CG-CD2 4.37Å; F310-L312 PolarHBondContact O-N 2.9Å
313G38.1Very low36.1Very low28 Ų28104.7 Ų104.729%0.28953%0.527SS..  trans143.8-163.9179.700000113.3A321 M322G313-A321 CarbonylContact O-C 3.36Å; G313-A321 WeakPolarHBondContact O-CA 2.88Å; G313-M322 PolarHBondContact O-N 2.91Å
314H38.9Very low36.3Very low126 Ų126104.2 Ų104.258%0.58352%0.521SS*.BIsolated β-bridgetrans-108.5148.9-174.1-60.675.3000112.2H316 S319 Q320 A321H314-H316 PolarHBondContact O-N 3.36Å; H314-S319 PolarHBondContact CD2-O 3.4Å; H314-S319 VanDerWaalsContact CD2-O 3.25Å; H314-Q320 CarbonylContact C-O 3.42Å; H314-Q320 WeakPolarHBondContact CA-O 2.96Å; H314-Q320 WeakPolarHBondContact CB-O 2.99Å; H314-A321 PolarHBondContact CD2-N 3.35Å
315C37.1Very low36.3Very low33 Ų33102.5 Ų102.522%0.22351%0.511CS..  trans-67.1121.1174.8175.30000111.1R317 C318 S319 Q320C315-R317 PolarHBondContact O-N 2.78Å; C315-C318 PolarHBondContact O-N 2.81Å; C315-C318 VanDerWaalsContact O-N 3.14Å; C315-S319 WeakPolarHBondContact O-CA 3.24Å; C315-S319 PolarHBondContact O-N 3.47Å; C315-Q320 PolarHBondContact N-O 2.95Å
316H33.9Very low36.2Very low188 Ų188102.8 Ų102.887%0.8751%0.512SS*.THydrogen-bonded Turntrans-59.1-22.4-175172.728.3000114.6H314H314-H316 PolarHBondContact O-N 3.36Å
317R31.9Very low36Very low247 Ų247103.1 Ų103.193%0.93251%0.507SS*.THydrogen-bonded Turntrans-85.7-24.5177.5-80.9-171.3-173-173.32.8115.1C315C315-R317 PolarHBondContact O-N 2.78Å
318C41.2Very low35.8Very low67 Ų67100.5 Ų100.545%0.45350%0.497SS..THydrogen-bonded Turntrans-134.90.6-175.366.20000115.2C315 Q320C315-C318 PolarHBondContact O-N 2.81Å; C315-C318 VanDerWaalsContact O-N 3.14Å; C318-Q320 VanDerWaalsContact C-N 3.35Å; C318-Q320 PolarHBondContact O-N 3.44Å
319S41.1Very low35.7Very low94 Ų94101.4 Ų101.466%0.65750%0.498SS*.  trans5735.7175.6-52.60000115.5H314 C315H314-S319 PolarHBondContact CD2-O 3.4Å; H314-S319 VanDerWaalsContact CD2-O 3.25Å; C315-S319 WeakPolarHBondContact O-CA 3.24Å; C315-S319 PolarHBondContact O-N 3.47Å
320Q35.8Very low35.4Very low114 Ų11496.1 Ų96.153%0.53348%0.483SS..  trans-107.8142.6177.1-78.4-91.1-26.700112.7H314 C315 C318 C354H314-Q320 CarbonylContact C-O 3.42Å; H314-Q320 WeakPolarHBondContact CA-O 2.96Å; H314-Q320 WeakPolarHBondContact CB-O 2.99Å; C315-Q320 PolarHBondContact N-O 2.95Å; C318-Q320 VanDerWaalsContact C-N 3.35Å; C318-Q320 PolarHBondContact O-N 3.44Å; Q320-C354 WeakPolarHBondContact CB-SG 3.24Å
321A36Very low35.6Very low29 Ų2994 Ų9424%0.2447%0.474CS..BIsolated β-bridgetrans-77139.3-172.700000114.2G313 H314 F323G313-A321 CarbonylContact O-C 3.36Å; G313-A321 WeakPolarHBondContact O-CA 2.88Å; H314-A321 PolarHBondContact CD2-N 3.35Å; A321-F323 HydrophobicContact CB-CD2 4Å; A321-F323 HydrophobicContact CB-CE2 3.66Å
322M39.6Very low35.4Very low90 Ų9098.5 Ų98.544%0.44350%0.503SS..  trans-108.189.6-174-65.7-160.6-67.100114.1P311 G313P311-M322 WeakPolarHBondContact CA-O 3.13Å; P311-M322 WeakPolarHBondContact CB-O 3.04Å; G313-M322 PolarHBondContact O-N 2.91Å
323F38.8Very low35.5Very low120 Ų12097.3 Ų97.353%0.52650%0.497SS..  trans-99.2147.7-173.1-73.2-113.6000116.4P311 A321 Y352P311-F323 VanDerWaalsContact CB-CA 3.44Å; P311-F323 HydrophobicContact CB-CB 3.91Å; P311-F323 HydrophobicContact CB-CD1 3.89Å; P311-F323 HydrophobicContact CB-CD2 3.47Å; P311-F323 VanDerWaalsContact CB-CD2 3.47Å; P311-F323 HydrophobicContact CB-CE1 4.26Å; P311-F323 HydrophobicContact CB-CE2 3.92Å; P311-F323 HydrophobicContact CB-CG 3.43Å; P311-F323 VanDerWaalsContact CB-CG 3.43Å; P311-F323 HydrophobicContact CB-CZ 4.29Å; P311-F323 HydrophobicContact CG-CB 3.99Å; P311-F323 HydrophobicContact CG-CD1 3.04Å; P311-F323 HydrophobicContact CG-CD2 3.39Å; P311-F323 HydrophobicContact CG-CE1 3.13Å; P311-F323 HydrophobicContact CG-CE2 3.52Å; P311-F323 HydrophobicContact CG-CG 3.13Å; P311-F323 HydrophobicContact CG-CZ 3.39Å; A321-F323 HydrophobicContact CB-CD2 4Å; A321-F323 HydrophobicContact CB-CE2 3.66Å; F323-Y352 WeakPolarHBondContact O-CD1 3.49Å; F323-Y352 WeakPolarHBondContact O-CE1 3.19Å; F323-Y352 VanDerWaalsContact O-CZ 3.24Å
324T38.8Very low35.5Very low53 Ų53106.5 Ų106.533%0.32552%0.523SS..  trans-94.4128.7-172.515.40000118R309 F310 Y352R309-T324 WeakPolarHBondContact O-CB 3.49Å; R309-T324 PolarHBondContact O-OG1 2.69Å; F310-T324 WeakPolarHBondContact CA-OG1 2.9Å; F310-T324 PolarHBondContact N-OG1 3.26Å; F310-T324 PolarHBondContact O-OG1 2.8Å; T324-Y352 WeakPolarHBondContact CA-OH 3.14Å; T324-Y352 WeakPolarHBondContact CG2-OH 3.16Å
325I34.3Very low35.5Very low99 Ų99108.2 Ų108.251%0.50854%0.536SS..  trans92.5142.2144.7-45152000123.1Y352I325-Y352 PolarHBondContact N-OH 2.82Å
326I31.1Very low35.6Very low129 Ų129110.1 Ų110.166%0.66255%0.547SS*.  trans134.3139140.1-59.4179.5000116.5V350I326-V350 WeakPolarHBondContact O-CB 3.21Å; I326-V350 WeakPolarHBondContact O-CG1 2.94Å; I326-V350 WeakPolarHBondContact O-CG2 3.48Å
327Y31.2Very low35.8Very low109 Ų109106.7 Ų106.743%0.42755%0.552SS.*  trans-95.3152.5-176.9-84.8-93.6000115.5L219 Y224L219-Y327 WeakPolarHBondContact CB-OH 3.38Å; L219-Y327 WeakPolarHBondContact CD1-OH 3.45Å; L219-Y327 WeakPolarHBondContact CG-OH 3.25Å; Y224-Y327 HydrophobicContact CE1-CE1 4.02Å; Y224-Y327 HydrophobicContact CE1-CE2 4.41Å; Y224-Y327 AromaticContact CE1-CZ 3.65Å; Y224-Y327 WeakPolarHBondContact CE1-OH 2.78Å
328P28.5Very low35.9Very low58 Ų58101.1 Ų101.138%0.37754%0.539SS..  -145.1165.9118.839.1-24.3000113.8S348P328-S348 WeakPolarHBondContact CG-O 3.48Å; P328-S348 VanDerWaalsContact O-O 3.06Å
329K31.5Very low35.8Very low82 Ų82100.3 Ų100.336%0.35754%0.537SS..  trans-143.6132.6-174.1-167.7-175.8-157.8165.80112.4I228I228-K329 VanDerWaalsContact O-CE 3.26Å; I228-K329 WeakPolarHBondContact O-CE 3.09Å; I228-K329 PolarHBondContact O-NZ 3.15Å
330L31Very low35.5Very low76 Ų7699.5 Ų99.540%0.39854%0.544SS..  trans-127.3132.4163.9-97109.5000111.7T346 V347L330-T346 WeakPolarHBondContact CB-O 3.44Å; L330-T346 WeakPolarHBondContact CD1-O 3.22Å; L330-T346 WeakPolarHBondContact CD2-O 3.27Å; L330-T346 WeakPolarHBondContact CG-O 3.11Å; L330-V347 HydrophobicContact CB-CG2 4.02Å
331F36.6Very low35.7Very low103 Ų10399.2 Ų99.245%0.45255%0.55SS..  trans-69.4147.5-178.9-79.3-93.5000112.3L333F331-L333 HydrophobicContact CB-CG 4.23Å; F331-L333 PolarHBondContact O-N 3.33Å
332P33Very low35.7Very low111 Ų111104.8 Ų104.872%0.72157%0.571SS**  trans-81.39215031.7-24.6000108.6R334P332-R334 PolarHBondContact O-N 3.4Å; P332-R334 VanDerWaalsContact O-N 3.08Å
333L37.7Very low35.4Very low88 Ų88112.2 Ų112.246%0.46159%0.594SS.*THydrogen-bonded Turntrans-72.520.6169.3-90.5159.9000113F331 D335 A339F331-L333 HydrophobicContact CB-CG 4.23Å; F331-L333 PolarHBondContact O-N 3.33Å; L333-D335 PolarHBondContact O-N 2.87Å; L333-A339 WeakPolarHBondContact O-CB 3.34Å
334R36.6Very low35.1Very low220 Ų220117.9 Ų117.983%0.8361%0.611SS**THydrogen-bonded Turntrans-75.4-25.5-167.7-73.8-172.2176.2-172.1-0.7114.2P332P332-R334 PolarHBondContact O-N 3.4Å; P332-R334 VanDerWaalsContact O-N 3.08Å
335D39.6Very low35Very low162 Ų162120.8 Ų120.887%0.86663%0.63SS**SBendtrans-118.710.9-170-57-39.2000114.9L333L333-D335 PolarHBondContact O-N 2.87Å
336T40.2Very low34.7Very low73 Ų73120.1 Ų120.145%0.44863%0.63SS.*SBendtrans-101.2143.9176.358.80000111.7L338 A339T336-L338 PolarHBondContact O-N 3.32Å; T336-A339 WeakPolarHBondContact O-CB 3.18Å; T336-A339 PolarHBondContact O-N 3.48Å
337A36.7Very low34.7Very low117 Ų117118 Ų11897%0.96762%0.623SS**THydrogen-bonded Turntrans-58.4-7.1179.300000115.3
338L35.6Very low34.6Very low129 Ų129114.9 Ų114.968%0.67562%0.617SS**THydrogen-bonded Turntrans-93.42.2176.2-73.7160.3000113.8T336 G340 V341T336-L338 PolarHBondContact O-N 3.32Å; L338-G340 PolarHBondContact O-N 2.95Å; L338-G340 VanDerWaalsContact O-N 3.07Å; L338-V341 PolarHBondContact O-N 3.26Å
339A38.6Very low34.8Very low50 Ų50116.1 Ų116.141%0.41362%0.617SS.*THydrogen-bonded Turntrans-59.4-19.9-179.300000114.5L333 T336 V341L333-A339 WeakPolarHBondContact O-CB 3.34Å; T336-A339 WeakPolarHBondContact O-CB 3.18Å; T336-A339 PolarHBondContact O-N 3.48Å; A339-V341 PolarHBondContact O-N 3Å
340G34.9Very low34.7Very low77 Ų77115.3 Ų115.379%0.79462%0.619SS**THydrogen-bonded Turntrans-74.6-17.5-17800000115.7L338L338-G340 PolarHBondContact O-N 2.95Å; L338-G340 VanDerWaalsContact O-N 3.07Å
341V39.4Very low34.7Very low108 Ų108113.7 Ų113.766%0.65562%0.616SS**THydrogen-bonded Turntrans-101.4-20.9-166.9-175.90000113.6L338 A339L338-V341 PolarHBondContact O-N 3.26Å; A339-V341 PolarHBondContact O-N 3Å
342H36.1Very low34.5Very low147 Ų147113 Ų11368%0.68161%0.611SS**  trans-131.6100.7-175.3-66.2-60.5000113.2
343R32.8Very low34.5Very low246 Ų246109.2 Ų109.293%0.92859%0.587SS**  trans-92.890.1169.2-72.4-176.9176.2179.6-0.8111
344R32.8Very low34.2Very low238 Ų238106.7 Ų106.790%0.89858%0.576SS**  trans-148.3139.9158.9-72-163.8177177.2-1.2112.1
345T37Very low34.2Very low115 Ų115101.2 Ų101.271%0.70657%0.572SS**  trans-129.3116.1-171.543.40000110.9
346T28.6Very low34.1Very low84 Ų8499.5 Ų99.552%0.51557%0.572SS.*  trans-154.4162.7161.733.10000109.2L330L330-T346 WeakPolarHBondContact CB-O 3.44Å; L330-T346 WeakPolarHBondContact CD1-O 3.22Å; L330-T346 WeakPolarHBondContact CD2-O 3.27Å; L330-T346 WeakPolarHBondContact CG-O 3.11Å
347V30.5Very low33.7Very low84 Ų8499.6 Ų99.651%0.50957%0.568SS.*  trans-150144.8173.7177.20000109.2L330L330-V347 HydrophobicContact CB-CG2 4.02Å
348S29.5Very low33.7Very low45 Ų45100 Ų10032%0.31556%0.562SS.*  trans-149.1165.6169.6-76.20000110.6P328P328-S348 WeakPolarHBondContact CG-O 3.48Å; P328-S348 VanDerWaalsContact O-O 3.06Å
349F31.5Very low33.6Very low83 Ų8398 Ų9836%0.36455%0.552SS.*  trans-136.5-177.5-163.4-19.3-168.5000112.4R360 T361 F362F349-R360 WeakPolarHBondContact CD1-O 3.49Å; F349-R360 WeakPolarHBondContact CE1-O 3.31Å; F349-T361 WeakPolarHBondContact CA-OG1 3.49Å; F349-T361 HydrophobicContact CB-CG2 3.72Å; F349-T361 WeakPolarHBondContact CB-OG1 3.32Å; F349-T361 VanDerWaalsContact CD2-CA 3.46Å; F349-T361 HydrophobicContact CD2-CG2 3.42Å; F349-T361 VanDerWaalsContact CD2-CG2 3.42Å; F349-T361 HydrophobicContact CE2-CG2 4.28Å; F349-T361 HydrophobicContact CG-CG2 3.77Å; F349-T361 PolarHBondContact N-OG1 3.4Å; F349-T361 WeakPolarHBondContact O-CB 3.48Å; F349-T361 WeakPolarHBondContact O-CG2 3.48Å; F349-T361 PolarHBondContact O-OG1 3.31Å; F349-F362 HydrophobicContact CE1-CD2 4.27Å; F349-F362 HydrophobicContact CE2-CB 4.28Å; F349-F362 WeakPolarHBondContact CE2-O 2.84Å; F349-F362 HydrophobicContact CZ-CB 4.22Å; F349-F362 HydrophobicContact CZ-CD2 4.07Å
350V30.8Very low33.4Very low66 Ų66102.7 Ų102.740%0.456%0.559SS.*  trans-162.1157.1158.1161.90000115.4I326 L359 T361I326-V350 WeakPolarHBondContact O-CB 3.21Å; I326-V350 WeakPolarHBondContact O-CG1 2.94Å; I326-V350 WeakPolarHBondContact O-CG2 3.48Å; V350-L359 CarbonylContact C-O 3.24Å; V350-L359 VanDerWaalsContact O-O 3.12Å; V350-T361 PolarHBondContact N-OG1 2.98Å
351A30.1Very low33.3Very low41 Ų41101.3 Ų101.334%0.33954%0.535SS..  trans-107.7157.4-164.900000118.6L359A351-L359 VanDerWaalsContact CA-C 3.49Å; A351-L359 WeakPolarHBondContact CA-O 2.91Å; A351-L359 HydrophobicContact CB-CB 4.23Å; A351-L359 WeakPolarHBondContact CB-O 3.03Å; A351-L359 PolarHBondContact N-O 3.11Å
352Y32Very low33Very low88 Ų88102.3 Ų102.335%0.34553%0.531SS..  trans-149.7156.6152.5-86-102.3000112F323 T324 I325 H357 C358F323-Y352 WeakPolarHBondContact O-CD1 3.49Å; F323-Y352 WeakPolarHBondContact O-CE1 3.19Å; F323-Y352 VanDerWaalsContact O-CZ 3.24Å; T324-Y352 WeakPolarHBondContact CA-OH 3.14Å; T324-Y352 WeakPolarHBondContact CG2-OH 3.16Å; I325-Y352 PolarHBondContact N-OH 2.82Å; Y352-H357 CarbonylContact C-O 3.03Å; Y352-H357 WeakPolarHBondContact CB-CE1 3.5Å; Y352-H357 WeakPolarHBondContact CB-ND1 3.22Å; Y352-H357 AromaticContact CG-CE1 3.91Å; Y352-H357 CarbonylContact O-C 3.59Å; Y352-H357 WeakPolarHBondContact O-CA 3.36Å; Y352-H357 WeakPolarHBondContact O-CB 3.29Å; Y352-H357 PolarHBondContact O-ND1 2.97Å; Y352-C358 PolarHBondContact O-N 3.09Å
353C33.8Very low32.6Very low33 Ų33101 Ų10122%0.22353%0.528CS..  trans-129.2150.8163.6-157.60000113H357C353-H357 VanDerWaalsContact C-CG 3.47Å; C353-H357 VanDerWaalsContact CA-CD2 3.45Å; C353-H357 WeakPolarHBondContact CA-CD2 3.45Å; C353-H357 WeakPolarHBondContact CA-O 3.37Å; C353-H357 HydrophobicContact CB-CB 4.23Å; C353-H357 WeakPolarHBondContact CB-O 3.46Å; C353-H357 VanDerWaalsContact N-CG 3.31Å; C353-H357 PolarHBondContact N-O 3.31Å; C353-H357 PolarHBondContact SG-O 3.21Å
354C31.7Very low32.4Very low34 Ų3497.3 Ų97.323%0.2353%0.526CS..SBendcis-144.1111.610.6-61.40000111.2Q320 H357Q320-C354 WeakPolarHBondContact CB-SG 3.24Å; C354-H357 PolarHBondContact N-CD2 3.4Å
355S37.1Very low32.1Very low106 Ų10693.4 Ų93.474%0.74152%0.518SS*.SBend-135.9146.657.558.90000115.3H357S355-H357 VanDerWaalsContact C-CB 3.41Å; S355-H357 PolarHBondContact N-CD2 2.9Å
356S36.1Very low31.9Very low125 Ų12595 Ų9587%0.87456%0.558SS**SBendtrans81.825.8-169.387.30000117.5
357H33.1Very low32.1Very low75 Ų7595.6 Ų95.635%0.34756%0.56SS.*  trans-135.878.6-132-156.332.1000104.3Y352 C353 C354 S355Y352-H357 CarbonylContact C-O 3.03Å; Y352-H357 WeakPolarHBondContact CB-CE1 3.5Å; Y352-H357 WeakPolarHBondContact CB-ND1 3.22Å; Y352-H357 AromaticContact CG-CE1 3.91Å; Y352-H357 CarbonylContact O-C 3.59Å; Y352-H357 WeakPolarHBondContact O-CA 3.36Å; Y352-H357 WeakPolarHBondContact O-CB 3.29Å; Y352-H357 PolarHBondContact O-ND1 2.97Å; C353-H357 VanDerWaalsContact C-CG 3.47Å; C353-H357 VanDerWaalsContact CA-CD2 3.45Å; C353-H357 WeakPolarHBondContact CA-CD2 3.45Å; C353-H357 WeakPolarHBondContact CA-O 3.37Å; C353-H357 HydrophobicContact CB-CB 4.23Å; C353-H357 WeakPolarHBondContact CB-O 3.46Å; C353-H357 VanDerWaalsContact N-CG 3.31Å; C353-H357 PolarHBondContact N-O 3.31Å; C353-H357 PolarHBondContact SG-O 3.21Å; C354-H357 PolarHBondContact N-CD2 3.4Å; S355-H357 VanDerWaalsContact C-CB 3.41Å; S355-H357 PolarHBondContact N-CD2 2.9Å
358C36Very low32.2Very low125 Ų12596.2 Ų96.285%0.84556%0.563SS**  trans-14596.9165.4-112.90000105.3Y352Y352-C358 PolarHBondContact O-N 3.09Å
359L34.4Very low32.3Very low89 Ų8999 Ų9947%0.46658%0.576SS.*  trans-127.869.9-174.3-132.2151.8000112.8V350 A351V350-L359 CarbonylContact C-O 3.24Å; V350-L359 VanDerWaalsContact O-O 3.12Å; A351-L359 VanDerWaalsContact CA-C 3.49Å; A351-L359 WeakPolarHBondContact CA-O 2.91Å; A351-L359 HydrophobicContact CB-CB 4.23Å; A351-L359 WeakPolarHBondContact CB-O 3.03Å; A351-L359 PolarHBondContact N-O 3.11Å
360R34.2Very low32.4Very low147 Ų14799.9 Ų99.956%0.55559%0.589SS**  trans-72.1170.5174.2-102.7-171.4-176.21754.3113.6F349 F362F349-R360 WeakPolarHBondContact CD1-O 3.49Å; F349-R360 WeakPolarHBondContact CE1-O 3.31Å; R360-F362 HydrophobicContact CB-CE2 3.85Å; R360-F362 HydrophobicContact CB-CZ 4.07Å
361T32Very low32.5Very low49 Ų49102.1 Ų102.130%0.30160%0.601SS.*  trans-131.4135.4-173.5-48.10000113.2F349 V350F349-T361 WeakPolarHBondContact CA-OG1 3.49Å; F349-T361 HydrophobicContact CB-CG2 3.72Å; F349-T361 WeakPolarHBondContact CB-OG1 3.32Å; F349-T361 VanDerWaalsContact CD2-CA 3.46Å; F349-T361 HydrophobicContact CD2-CG2 3.42Å; F349-T361 VanDerWaalsContact CD2-CG2 3.42Å; F349-T361 HydrophobicContact CE2-CG2 4.28Å; F349-T361 HydrophobicContact CG-CG2 3.77Å; F349-T361 PolarHBondContact N-OG1 3.4Å; F349-T361 WeakPolarHBondContact O-CB 3.48Å; F349-T361 WeakPolarHBondContact O-CG2 3.48Å; F349-T361 PolarHBondContact O-OG1 3.31Å; V350-T361 PolarHBondContact N-OG1 2.98Å
362F32.4Very low32.6Very low129 Ų129106.1 Ų106.157%0.56662%0.618SS**  trans-131.2151.7-175.9-59.9-88000111.8F349 R360F349-F362 HydrophobicContact CE1-CD2 4.27Å; F349-F362 HydrophobicContact CE2-CB 4.28Å; F349-F362 WeakPolarHBondContact CE2-O 2.84Å; F349-F362 HydrophobicContact CZ-CB 4.22Å; F349-F362 HydrophobicContact CZ-CD2 4.07Å; R360-F362 HydrophobicContact CB-CE2 3.85Å; R360-F362 HydrophobicContact CB-CZ 4.07Å
363D28.9Very low32.7Very low118 Ų118107.4 Ų107.463%0.63164%0.638SS**  trans-111129.1174.3-139.7-12.5000108.5
364L27.2Very low32.6Very low169 Ų169113.2 Ų113.289%0.88567%0.67SS**  trans-114.865.3175.8-77.7171.8000109.8
365Q26.7Very low32.7Very low156 Ų156119.8 Ų119.873%0.72971%0.706SS**  trans-128.573.1152.4-73.8-166.7-1100108.4
366G34.1Very low32.3Very low149 Ų149121 Ų121100%1.53670%0.703SS**  trans-95.50139.300000107.3

Retrieved 366 of 366 residues in 98.6 ms (Link to these results)

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