A0A3Q0KLS9_SCHMA Loading...

EGF-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KLS9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 561 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
1M59.7Low65.9Low172 Ų172118.2 Ų118.285%0.84758%0.581SS**  0-66.20-148171.493.800112.6I3 S4 I5M1-I3 PolarHBondContact O-N 3.49Å; M1-S4 VanDerWaalsContact CA-OG 3.28Å; M1-S4 WeakPolarHBondContact CA-OG 3.3Å; M1-S4 PolarHBondContact O-N 3.43Å; M1-S4 PolarHBondContact O-OG 3.31Å; M1-I5 HydrophobicContact CG-CD1 4.1Å; M1-I5 WeakPolarHBondContact O-CG1 3.41Å; M1-I5 PolarHBondContact O-N 3.13Å
2W57.3Low65.4Low206 Ų206118.8 Ų118.878%0.7859%0.588SS**Hα-helixtrans-60.1-42.7-179.8-87.568.7000114.1I5 N6W2-I5 PolarHBondContact O-N 2.86Å; W2-N6 PolarHBondContact O-N 2.66Å; W2-N6 PolarHBondContact O-ND2 2.91Å
3I71Confident64.7Low147 Ų147118.7 Ų118.775%0.75459%0.591SS**Hα-helixtrans-61.6-45.1176-62.5170.8000111.1M1 I5 N6 F7M1-I3 PolarHBondContact O-N 3.49Å; I3-I5 VanDerWaalsContact C-N 3.34Å; I3-I5 PolarHBondContact O-N 2.83Å; I3-N6 PolarHBondContact O-N 3.47Å; I3-F7 WeakPolarHBondContact O-CB 3.28Å; I3-F7 PolarHBondContact O-N 2.99Å
4S70.9Confident63.9Low67 Ų67124.9 Ų124.947%0.46961%0.606SS.*Hα-helixtrans-68.5-30179.449.70000113.3M1 M8M1-S4 VanDerWaalsContact CA-OG 3.28Å; M1-S4 WeakPolarHBondContact CA-OG 3.3Å; M1-S4 PolarHBondContact O-N 3.43Å; M1-S4 PolarHBondContact O-OG 3.31Å; S4-M8 WeakPolarHBondContact O-CB 3.4Å; S4-M8 WeakPolarHBondContact O-CG 3.31Å; S4-M8 PolarHBondContact O-N 3.25Å
5I74.5Confident63.3Low79 Ų79124.1 Ų124.141%0.40561%0.605SS.*Hα-helixtrans-69.4-46.9171.7-69.7164.6000110.3M1 W2 I3 F7 M8 I9M1-I5 HydrophobicContact CG-CD1 4.1Å; M1-I5 WeakPolarHBondContact O-CG1 3.41Å; M1-I5 PolarHBondContact O-N 3.13Å; W2-I5 PolarHBondContact O-N 2.86Å; I3-I5 VanDerWaalsContact C-N 3.34Å; I3-I5 PolarHBondContact O-N 2.83Å; I5-F7 VanDerWaalsContact C-N 3.31Å; I5-F7 PolarHBondContact O-N 3.44Å; I5-M8 PolarHBondContact O-N 3.08Å; I5-I9 HydrophobicContact CG2-CD1 3.75Å; I5-I9 HydrophobicContact CG2-CG1 4.49Å; I5-I9 WeakPolarHBondContact O-CG1 3.35Å; I5-I9 PolarHBondContact O-N 3.13Å
6N68.7Low62.7Low87 Ų87122.2 Ų122.247%0.46560%0.603SS.*Hα-helixtrans-62.7-38.1176.4-79.7-90.4000112.1W2 I3 I9 L10W2-N6 PolarHBondContact O-N 2.66Å; W2-N6 PolarHBondContact O-ND2 2.91Å; I3-N6 PolarHBondContact O-N 3.47Å; N6-I9 PolarHBondContact O-N 3.49Å; N6-L10 WeakPolarHBondContact O-CB 3.37Å; N6-L10 PolarHBondContact O-N 3.25Å
7F68.8Low62.5Low136 Ų136118.2 Ų118.260%0.59659%0.587SS**Hα-helixtrans-67.3-38.2176.1-156-97000112.3I3 I5 L10 L11I3-F7 WeakPolarHBondContact O-CB 3.28Å; I3-F7 PolarHBondContact O-N 2.99Å; I5-F7 VanDerWaalsContact C-N 3.31Å; I5-F7 PolarHBondContact O-N 3.44Å; F7-L10 PolarHBondContact O-N 3.19Å; F7-L11 HydrophobicContact CD1-CD1 3.77Å; F7-L11 HydrophobicContact CD1-CG 4.49Å; F7-L11 HydrophobicContact CE1-CD1 3.85Å; F7-L11 HydrophobicContact CE1-CG 4.44Å; F7-L11 WeakPolarHBondContact O-CB 3.45Å; F7-L11 PolarHBondContact O-N 2.81Å
8M68.2Low62.6Low123 Ų123112.2 Ų112.261%0.60656%0.559SS**Hα-helixtrans-64.7-42.4171-83.7-69-174.100112.5S4 I5 L10 L11 L12S4-M8 WeakPolarHBondContact O-CB 3.4Å; S4-M8 WeakPolarHBondContact O-CG 3.31Å; S4-M8 PolarHBondContact O-N 3.25Å; I5-M8 PolarHBondContact O-N 3.08Å; M8-L10 VanDerWaalsContact C-N 3.34Å; M8-L11 PolarHBondContact O-N 3.44Å; M8-L12 WeakPolarHBondContact O-CB 3.3Å; M8-L12 VanDerWaalsContact O-CG 3.28Å; M8-L12 WeakPolarHBondContact O-CG 3.44Å; M8-L12 PolarHBondContact O-N 2.96Å
9I65.3Low63.6Low83 Ų83109.2 Ų109.243%0.42655%0.545SS..Hα-helixtrans-66.8-36.5177.1-67.9167.3000111.1I5 N6 N13I5-I9 HydrophobicContact CG2-CD1 3.75Å; I5-I9 HydrophobicContact CG2-CG1 4.49Å; I5-I9 WeakPolarHBondContact O-CG1 3.35Å; I5-I9 PolarHBondContact O-N 3.13Å; N6-I9 PolarHBondContact O-N 3.49Å; I9-N13 WeakPolarHBondContact CG2-ND2 3.38Å; I9-N13 WeakPolarHBondContact O-CB 3.38Å; I9-N13 PolarHBondContact O-N 3.26Å; I9-N13 PolarHBondContact O-ND2 3.34Å
10L60.7Low65.1Low114 Ų114103.7 Ų103.760%0.59752%0.518SS*.Hα-helixtrans-65-44.6171.9-86.8159.2000111.8N6 F7 M8 N13 Y14N6-L10 WeakPolarHBondContact O-CB 3.37Å; N6-L10 PolarHBondContact O-N 3.25Å; F7-L10 PolarHBondContact O-N 3.19Å; M8-L10 VanDerWaalsContact C-N 3.34Å; L10-N13 PolarHBondContact O-N 3.17Å; L10-Y14 WeakPolarHBondContact O-CB 3.41Å; L10-Y14 PolarHBondContact O-N 3.41Å
11L60.4Low66.5Low86 Ų86100.6 Ų100.645%0.4550%0.503SS..Hα-helixtrans-59.9-44.5174.2-85.7161.7000112.4F7 M8 N13 Y14 L15F7-L11 HydrophobicContact CD1-CD1 3.77Å; F7-L11 HydrophobicContact CD1-CG 4.49Å; F7-L11 HydrophobicContact CE1-CD1 3.85Å; F7-L11 HydrophobicContact CE1-CG 4.44Å; F7-L11 WeakPolarHBondContact O-CB 3.45Å; F7-L11 PolarHBondContact O-N 2.81Å; M8-L11 PolarHBondContact O-N 3.44Å; L11-N13 VanDerWaalsContact C-N 3.35Å; L11-N13 PolarHBondContact O-N 2.8Å; L11-Y14 PolarHBondContact O-N 2.92Å; L11-L15 PolarHBondContact O-N 3.12Å; L11-L15 VanDerWaalsContact O-N 3.16Å
12L59.1Low68.2Low126 Ų12692.4 Ų92.466%0.6646%0.462SS*.Hα-helixtrans-63-38.3177.4-75163.8000112.4M8M8-L12 WeakPolarHBondContact O-CB 3.3Å; M8-L12 VanDerWaalsContact O-CG 3.28Å; M8-L12 WeakPolarHBondContact O-CG 3.44Å; M8-L12 PolarHBondContact O-N 2.96Å
13N56.4Low70.1Confident117 Ų11783.7 Ų83.763%0.62643%0.433SS*.Hα-helixtrans-80.4-19.5176.7-72.4-53000113.9I9 L10 L11I9-N13 WeakPolarHBondContact CG2-ND2 3.38Å; I9-N13 WeakPolarHBondContact O-CB 3.38Å; I9-N13 PolarHBondContact O-N 3.26Å; I9-N13 PolarHBondContact O-ND2 3.34Å; L10-N13 PolarHBondContact O-N 3.17Å; L11-N13 VanDerWaalsContact C-N 3.35Å; L11-N13 PolarHBondContact O-N 2.8Å
14Y53.7Low71.3Confident205 Ų20576.8 Ų76.880%0.80440%0.398SS*.Hα-helixtrans-84.6-23.4177.6-150.9-86.5000112.4L10 L11 V16L10-Y14 WeakPolarHBondContact O-CB 3.41Å; L10-Y14 PolarHBondContact O-N 3.41Å; L11-Y14 PolarHBondContact O-N 2.92Å; Y14-V16 PolarHBondContact O-N 2.7Å
15L54.8Low72.6Confident113 Ų11375 Ų7559%0.59238%0.384SS*.  trans-75.569.5164.1-84.1154.1000110.1L11 T17L11-L15 PolarHBondContact O-N 3.12Å; L11-L15 VanDerWaalsContact O-N 3.16Å; L15-T17 VanDerWaalsContact C-N 3.28Å; L15-T17 PolarHBondContact O-N 3.38Å
16V53.4Low73.7Confident94 Ų9471.4 Ų71.457%0.5737%0.366SS*.  trans-66.893.5162.2179.90000107.1Y14 A18Y14-V16 PolarHBondContact O-N 2.7Å; V16-A18 PolarHBondContact O-N 3.11Å; V16-A18 VanDerWaalsContact O-N 3.09Å
17T59.7Low75.1Confident55 Ų5570.1 Ų70.134%0.33736%0.356SS..  trans-73.598.4176.8500000109.3L15 D19 P97 Y157L15-T17 VanDerWaalsContact C-N 3.28Å; L15-T17 PolarHBondContact O-N 3.38Å; T17-D19 PolarHBondContact O-N 3.03Å; T17-P97 CarbonylContact C-O 3.55Å; T17-P97 VanDerWaalsContact C-O 3.24Å; T17-P97 WeakPolarHBondContact CA-O 3.47Å; T17-P97 WeakPolarHBondContact CB-O 3.48Å; T17-P97 HydrophobicContact CG2-CB 3.98Å; T17-Y157 WeakPolarHBondContact O-CE1 3.21Å; T17-Y157 VanDerWaalsContact O-CZ 3.23Å; T17-Y157 PolarHBondContact O-OH 2.89Å
18A63.8Low76.4Confident10 Ų1066 Ų668%0.08334%0.34CS..  trans-7193.7170.300000108.7V16 V20 Q96 P97 I98 C162V16-A18 PolarHBondContact O-N 3.11Å; V16-A18 VanDerWaalsContact O-N 3.09Å; A18-V20 WeakPolarHBondContact O-CG2 3.04Å; A18-V20 PolarHBondContact O-N 2.83Å; A18-Q96 VanDerWaalsContact O-O 3.1Å; A18-P97 CarbonylContact C-O 3.58Å; A18-P97 PolarHBondContact N-O 3.43Å; A18-P97 CarbonylContact O-C 3.52Å; A18-I98 PolarHBondContact O-N 2.86Å; A18-C162 WeakPolarHBondContact CB-O 3.26Å
19D82.6Confident77.8Confident54 Ų5460.2 Ų60.229%0.28931%0.312SS..  trans-70.5103.1178.3-74.2-29.4000109.7T17 I95 Q96 T154 Y157T17-D19 PolarHBondContact O-N 3.03Å; D19-I95 HydrophobicContact CB-CG2 4.32Å; D19-Q96 WeakPolarHBondContact CA-O 3.02Å; D19-T154 HydrophobicContact CB-CG2 4.06Å; D19-T154 WeakPolarHBondContact CB-OG1 3.23Å; D19-T154 WeakPolarHBondContact O-CB 3.41Å; D19-T154 VanDerWaalsContact O-CG2 3.23Å; D19-T154 WeakPolarHBondContact O-CG2 3.36Å; D19-T154 PolarHBondContact O-N 3.26Å; D19-T154 VanDerWaalsContact O-N 3.1Å; D19-T154 PolarHBondContact O-OG1 3.02Å; D19-Y157 HydrophobicContact CB-CD2 4.27Å; D19-Y157 HydrophobicContact CB-CE2 3.95Å
20V92.6Very high79.3Confident0 Ų059.2 Ų59.20%031%0.305CS..EExtended strand (participates in β ladder)trans-105.9127.3-177.2173.70000109.3A18 I22 I95 Q96 F99 I151 C162A18-V20 WeakPolarHBondContact O-CG2 3.04Å; A18-V20 PolarHBondContact O-N 2.83Å; V20-I22 HydrophobicContact CG1-CD1 4.32Å; V20-I22 HydrophobicContact CG1-CG1 3.89Å; V20-I95 CarbonylContact O-C 3.53Å; V20-I95 WeakPolarHBondContact O-CA 3.41Å; V20-Q96 PolarHBondContact N-O 3.11Å; V20-Q96 PolarHBondContact O-N 3.28Å; V20-F99 HydrophobicContact CG1-CD2 4.19Å; V20-F99 HydrophobicContact CG2-CB 3.91Å; V20-F99 HydrophobicContact CG2-CD2 3.78Å; V20-F99 HydrophobicContact CG2-CG 4.28Å; V20-I151 HydrophobicContact CG1-CG2 3.5Å; V20-C162 HydrophobicContact CG2-CB 3.72Å
21N94.6Very high81Confident38 Ų3853.8 Ų53.820%0.20328%0.277CS..EExtended strand (participates in β ladder)trans-94.1122.8174.7174.950.1000110Y93 T152 T154N21-Y93 WeakPolarHBondContact OD1-CD2 3.18Å; N21-T152 PolarHBondContact N-O 2.98Å; N21-T152 PolarHBondContact ND2-OG1 2.04Å; N21-T152 PolarHBondContact O-N 2.98Å; N21-T152 PolarHBondContact O-OG1 2.96Å; N21-T152 VanDerWaalsContact O-OG1 3.14Å; N21-T154 HydrophobicContact CB-CG2 4.03Å
22I95.6Very high82.5Confident0 Ų051.5 Ų51.50%027%0.267CS..EExtended strand (participates in β ladder)trans-117.3110.9179.3-48.6-168.8000109.1V20 Y24 Y93 E94 P100 I103 I149 E150 I151V20-I22 HydrophobicContact CG1-CD1 4.32Å; V20-I22 HydrophobicContact CG1-CG1 3.89Å; I22-Y24 HydrophobicContact CB-CE2 4.11Å; I22-Y24 HydrophobicContact CG2-CD2 4.35Å; I22-Y24 HydrophobicContact CG2-CE1 4.02Å; I22-Y24 HydrophobicContact CG2-CE2 3.68Å; I22-Y24 VanDerWaalsContact CG2-CZ 3.48Å; I22-Y93 CarbonylContact O-C 3.58Å; I22-Y93 WeakPolarHBondContact O-CA 3.46Å; I22-E94 PolarHBondContact N-O 3.05Å; I22-E94 PolarHBondContact O-N 3.1Å; I22-P100 HydrophobicContact CD1-CG 3.88Å; I22-I103 HydrophobicContact CD1-CD1 3.96Å; I22-I103 HydrophobicContact CG2-CD1 3.94Å; I22-I149 HydrophobicContact CG2-CG2 3.81Å; I22-E150 WeakPolarHBondContact CA-O 3.14Å; I22-I151 HydrophobicContact CG1-CG1 4.48Å; I22-I151 HydrophobicContact CG1-CG2 4.46Å; I22-I151 HydrophobicContact CG2-CG1 4.27Å
23S96.7Very high84Confident24 Ų2452.7 Ų52.717%0.16826%0.263CS..EExtended strand (participates in β ladder)trans-90144.7171.9170.20000110.8T92 I149 E150S23-T92 WeakPolarHBondContact CA-O 3.45Å; S23-I149 WeakPolarHBondContact O-CA 3.03Å; S23-E150 PolarHBondContact N-O 3.37Å; S23-E150 PolarHBondContact O-N 3.02Å
24Y97Very high85.6Confident1 Ų147.4 Ų47.40%0.00424%0.235CC..EExtended strand (participates in β ladder)trans-132115177.2-55.3-91.5000109.1I22 F58 A60 L73 T92 I103 I105 H148 I149I22-Y24 HydrophobicContact CB-CE2 4.11Å; I22-Y24 HydrophobicContact CG2-CD2 4.35Å; I22-Y24 HydrophobicContact CG2-CE1 4.02Å; I22-Y24 HydrophobicContact CG2-CE2 3.68Å; I22-Y24 VanDerWaalsContact CG2-CZ 3.48Å; Y24-F58 HydrophobicContact CD1-CE1 4.08Å; Y24-F58 AromaticContact CD1-CZ 3.65Å; Y24-F58 HydrophobicContact CD1-CZ 3.65Å; Y24-F58 HydrophobicContact CD2-CE1 4.42Å; Y24-F58 HydrophobicContact CE1-CZ 4.33Å; Y24-F58 AromaticContact CG-CE1 3.88Å; Y24-F58 HydrophobicContact CG-CE1 3.88Å; Y24-F58 AromaticContact CG-CZ 3.9Å; Y24-F58 HydrophobicContact CG-CZ 3.9Å; Y24-A60 HydrophobicContact CE1-CB 3.77Å; Y24-A60 HydrophobicContact CE2-CB 4.26Å; Y24-L73 HydrophobicContact CD2-CD2 3.55Å; Y24-L73 HydrophobicContact CE2-CD2 3.78Å; Y24-L73 HydrophobicContact CG-CD2 4.43Å; Y24-T92 PolarHBondContact N-O 2.69Å; Y24-T92 PolarHBondContact O-N 2.85Å; Y24-I103 HydrophobicContact CE1-CG2 4.08Å; Y24-I105 HydrophobicContact CD1-CG2 4.27Å; Y24-I105 HydrophobicContact CE1-CG2 4.12Å; Y24-H148 WeakPolarHBondContact CA-O 3.42Å; Y24-I149 HydrophobicContact CD1-CD1 4.22Å; Y24-I149 HydrophobicContact CD1-CG1 4.03Å; Y24-I149 HydrophobicContact CD1-CG2 4.08Å; Y24-I149 HydrophobicContact CE1-CD1 4.22Å; Y24-I149 HydrophobicContact CE1-CG1 4.43Å; Y24-I149 HydrophobicContact CE1-CG2 4.02Å
25V97.6Very high87.4Confident31 Ų3139 Ų3919%0.18820%0.204CC..EExtended strand (participates in β ladder)trans-114.8121.4176.5-178.70000109.7L90 D91 H148V25-L90 CarbonylContact C-O 3.6Å; V25-L90 WeakPolarHBondContact CA-O 3.04Å; V25-D91 HydrophobicContact CG2-CB 4.35Å; V25-H148 HydrophobicContact CB-CB 4.36Å; V25-H148 PolarHBondContact N-O 2.9Å; V25-H148 PolarHBondContact O-N 3.43Å
26I97.8Very high89.1Confident3 Ų333.9 Ų33.92%0.01518%0.177CC..EExtended strand (participates in β ladder)trans-108.1123.3175.8-49.1-59.2000108.5F58 I89 L90 L107 V145 E146 A147I26-F58 HydrophobicContact CD1-CD2 4.07Å; I26-F58 HydrophobicContact CD1-CE2 3.86Å; I26-F58 HydrophobicContact CD1-CZ 4.44Å; I26-F58 HydrophobicContact CG1-CD2 4.27Å; I26-F58 HydrophobicContact CG1-CE2 4.46Å; I26-I89 HydrophobicContact CB-CB 4.34Å; I26-I89 HydrophobicContact CG2-CB 4.2Å; I26-I89 HydrophobicContact CG2-CG2 4.46Å; I26-I89 WeakPolarHBondContact O-CB 3.42Å; I26-I89 PolarHBondContact O-N 3.09Å; I26-L90 HydrophobicContact CB-CB 4.18Å; I26-L90 HydrophobicContact CG1-CB 4.3Å; I26-L90 HydrophobicContact CG1-CD2 4.34Å; I26-L90 PolarHBondContact N-O 3.06Å; I26-L90 PolarHBondContact O-N 2.96Å; I26-L90 VanDerWaalsContact O-N 3.13Å; I26-L107 HydrophobicContact CG2-CD2 3.89Å; I26-V145 HydrophobicContact CG2-CG2 3.7Å; I26-E146 WeakPolarHBondContact CA-O 3.32Å; I26-A147 HydrophobicContact CD1-CB 3.62Å
27K97.8Very high90.9Very high59 Ų5932.5 Ų32.526%0.25717%0.172SC..EExtended strand (participates in β ladder)trans-149.7175.1-17073.1174.2-177.2-170.40112.3Y29 D87 V145 E146 H148K27-Y29 PolarHBondContact O-N 2.87Å; K27-D87 CarbonylContact C-O 3.6Å; K27-D87 VanDerWaalsContact CA-O 3.3Å; K27-D87 WeakPolarHBondContact CA-O 3.16Å; K27-D87 WeakPolarHBondContact CB-O 3.29Å; K27-V145 WeakPolarHBondContact O-CG2 3.39Å; K27-E146 WeakPolarHBondContact CE-OE2 3.35Å; K27-E146 HydrophobicContact CG-CB 3.96Å; K27-E146 PolarHBondContact N-O 3.47Å; K27-E146 PolarHBondContact O-N 3.46Å; K27-H148 VanDerWaalsContact CE-CD2 3.48Å; K27-H148 WeakPolarHBondContact CE-CD2 3.44Å; K27-H148 WeakPolarHBondContact CE-NE2 3.35Å; K27-H148 PolarHBondContact NZ-CE1 3.37Å; K27-H148 PolarHBondContact NZ-NE2 3.43Å
28N97.2Very high92.3Very high50 Ų5038.1 Ų38.127%0.26719%0.187SC..EExtended strand (participates in β ladder)trans52.146173.6-80.3-49.8000114.5I86 D87 E146N28-I86 WeakPolarHBondContact CA-O 3.43Å; N28-I86 PolarHBondContact N-O 3.03Å; N28-D87 PolarHBondContact N-O 2.97Å; N28-E146 HydrophobicContact CB-CB 4.23Å; N28-E146 HydrophobicContact CB-CG 3.8Å; N28-E146 PolarHBondContact ND2-OE2 3.46Å
29Y97.8Very high93.3Very high2 Ų243.4 Ų43.41%0.00821%0.213CC..EExtended strand (participates in β ladder)trans-69.1136.7170.6168.8-97.2000110.8K27 N31 P54 F56 S83 Y85 I86 I109 V143 K144K27-Y29 PolarHBondContact O-N 2.87Å; Y29-N31 HydrophobicContact CE1-CB 4.09Å; Y29-N31 HydrophobicContact CE2-CB 4.38Å; Y29-N31 VanDerWaalsContact OH-CB 3.26Å; Y29-N31 WeakPolarHBondContact OH-CB 3.44Å; Y29-N31 PolarHBondContact OH-ND2 3.26Å; Y29-P54 HydrophobicContact CE1-CB 4.21Å; Y29-P54 HydrophobicContact CE1-CG 3.78Å; Y29-F56 HydrophobicContact CD1-CZ 4.12Å; Y29-F56 AromaticContact CD2-CE1 3.75Å; Y29-F56 HydrophobicContact CD2-CE1 3.75Å; Y29-F56 AromaticContact CD2-CZ 3.65Å; Y29-F56 HydrophobicContact CD2-CZ 3.65Å; Y29-F56 HydrophobicContact CE2-CE1 4.33Å; Y29-F56 HydrophobicContact CE2-CZ 4.11Å; Y29-F56 HydrophobicContact CG-CE1 4.08Å; Y29-F56 AromaticContact CG-CZ 3.63Å; Y29-F56 HydrophobicContact CG-CZ 3.63Å; Y29-S83 WeakPolarHBondContact CE1-O 3.35Å; Y29-Y85 WeakPolarHBondContact O-CA 3.03Å; Y29-I86 HydrophobicContact CD1-CB 4.42Å; Y29-I86 HydrophobicContact CD1-CD1 3.86Å; Y29-I86 HydrophobicContact CD1-CG1 4.05Å; Y29-I86 HydrophobicContact CE1-CD1 4.39Å; Y29-I86 HydrophobicContact CG-CD1 4.49Å; Y29-I86 PolarHBondContact N-O 3.02Å; Y29-I86 PolarHBondContact O-N 3.28Å; Y29-I86 VanDerWaalsContact O-N 3.08Å; Y29-I109 HydrophobicContact CD2-CD1 4.02Å; Y29-I109 HydrophobicContact CE2-CD1 3.99Å; Y29-I109 HydrophobicContact CE2-CG2 4.19Å; Y29-V143 HydrophobicContact CD2-CG1 4.24Å; Y29-V143 HydrophobicContact CE2-CG1 3.62Å; Y29-K144 CarbonylContact C-O 3.52Å; Y29-K144 VanDerWaalsContact CA-O 3.29Å; Y29-K144 WeakPolarHBondContact CA-O 3.46Å
30Q97Very high93.5Very high61 Ų6144.2 Ų44.229%0.28521%0.212SC..EExtended strand (participates in β ladder)trans-142.3122.8177.3-43.7-176.3-4.200110.4K84 Y85 V143 K144Q30-K84 CarbonylContact C-O 3.55Å; Q30-K84 WeakPolarHBondContact CA-O 3.35Å; Q30-Y85 HydrophobicContact CB-CD1 4Å; Q30-Y85 HydrophobicContact CB-CE1 4.04Å; Q30-Y85 HydrophobicContact CG-CD1 3.99Å; Q30-Y85 HydrophobicContact CG-CE1 4.26Å; Q30-V143 CarbonylContact O-C 3.51Å; Q30-V143 VanDerWaalsContact O-CA 3.32Å; Q30-V143 WeakPolarHBondContact O-CA 3.06Å; Q30-K144 HydrophobicContact CB-CB 4.2Å; Q30-K144 HydrophobicContact CG-CB 4.44Å; Q30-K144 PolarHBondContact N-O 2.89Å; Q30-K144 PolarHBondContact O-N 2.83Å
31N95.3Very high93.3Very high1 Ų151 Ų511%0.00524%0.242CC..  trans-129.967.3168.1-172.2-7.5000110Y29 Y33 N34 L35 K84 V143Y29-N31 HydrophobicContact CE1-CB 4.09Å; Y29-N31 HydrophobicContact CE2-CB 4.38Å; Y29-N31 VanDerWaalsContact OH-CB 3.26Å; Y29-N31 WeakPolarHBondContact OH-CB 3.44Å; Y29-N31 PolarHBondContact OH-ND2 3.26Å; N31-Y33 PolarHBondContact O-N 2.03Å; N31-Y33 VanDerWaalsContact O-N 3.17Å; N31-N34 PolarHBondContact O-N 2.83Å; N31-N34 VanDerWaalsContact O-N 3.14Å; N31-N34 WeakPolarHBondContact OD1-CA 3.09Å; N31-N34 PolarHBondContact OD1-N 2.85Å; N31-N34 VanDerWaalsContact OD1-N 3.09Å; N31-L35 PolarHBondContact ND2-N 3.49Å; N31-L35 PolarHBondContact ND2-O 2.82Å; N31-L35 PolarHBondContact OD1-N 3.4Å; N31-K84 PolarHBondContact N-O 2.91Å; N31-K84 WeakPolarHBondContact O-CG 3.01Å; N31-V143 HydrophobicContact CB-CG2 4.32Å
32P92.3Very high92.9Very high37 Ų3749.5 Ų49.524%0.2424%0.235CC..THydrogen-bonded Turntrans-58.3-33.6-171.922.6-34.4000113.7K84P32-K84 WeakPolarHBondContact O-CE 3.22Å
33Y90.3Very high92.1Very high151 Ų15152.6 Ų52.659%0.59225%0.249SC*.THydrogen-bonded Turntrans-89.7-5.1-175.6-56.5-56.9000114N31N31-Y33 PolarHBondContact O-N 2.03Å; N31-Y33 VanDerWaalsContact O-N 3.17Å
34N90.8Very high90.8Very high7 Ų753.9 Ų53.94%0.03726%0.261CS..  trans63.743.5177.8-149.172.3000114.3N31 K41 C42 H51 C52N31-N34 PolarHBondContact O-N 2.83Å; N31-N34 VanDerWaalsContact O-N 3.14Å; N31-N34 WeakPolarHBondContact OD1-CA 3.09Å; N31-N34 PolarHBondContact OD1-N 2.85Å; N31-N34 VanDerWaalsContact OD1-N 3.09Å; N34-K41 VanDerWaalsContact O-CA 3.25Å; N34-K41 WeakPolarHBondContact O-CA 3.34Å; N34-C42 PolarHBondContact O-N 2.89Å; N34-H51 WeakPolarHBondContact OD1-CA 3.1Å; N34-H51 WeakPolarHBondContact OD1-CB 3.31Å; N34-C52 VanDerWaalsContact C-SG 3.58Å; N34-C52 PolarHBondContact ND2-N 2.82Å; N34-C52 PolarHBondContact OD1-N 3.33Å; N34-C52 PolarHBondContact OD1-SG 3Å; N34-C52 VanDerWaalsContact OD1-SG 3.38Å
35L90Very high89.1Confident29 Ų2959.8 Ų59.815%0.15229%0.292CS..BIsolated β-bridgetrans-100.3145.8-169.2-60.8177.4000113.6N31 L39 R40N31-L35 PolarHBondContact ND2-N 3.49Å; N31-L35 PolarHBondContact ND2-O 2.82Å; N31-L35 PolarHBondContact OD1-N 3.4Å; L35-L39 HydrophobicContact CD1-CD2 4.13Å; L35-R40 CarbonylContact C-O 3.6Å; L35-R40 VanDerWaalsContact CA-O 3.24Å; L35-R40 WeakPolarHBondContact CA-O 3.32Å
36D90.8Very high87.2Confident4 Ų462.2 Ų62.22%0.02130%0.304CS..  trans-82.5173.2163.884.5-24.5000111.8R38 L39 R40 I120D36-R38 PolarHBondContact O-N 2.9Å; D36-R38 VanDerWaalsContact OD1-CA 3.27Å; D36-R38 WeakPolarHBondContact OD1-CA 3Å; D36-R38 WeakPolarHBondContact OD1-CB 3.42Å; D36-R38 PolarHBondContact OD1-N 3.25Å; D36-R38 WeakPolarHBondContact OD2-CB 3.3Å; D36-R38 WeakPolarHBondContact OD2-CD 3.48Å; D36-L39 PolarHBondContact O-N 3.22Å; D36-L39 PolarHBondContact OD1-N 3.41Å; D36-R40 PolarHBondContact N-O 3.02Å; D36-R40 WeakPolarHBondContact OD1-CA 3.21Å; D36-R40 WeakPolarHBondContact OD1-CB 3.05Å; D36-R40 PolarHBondContact OD1-N 2.91Å; D36-R40 IonicContact OD1-NE 2.74Å; D36-R40 IonicContact OD2-CZ 3.37Å; D36-R40 IonicContact OD2-NE 3.78Å; D36-R40 PolarHBondContact OD2-NE 2.86Å; D36-R40 IonicContact OD2-NH2 3.86Å; D36-R40 PolarHBondContact OD2-NH2 3.5Å; D36-I120 CarbonylContact C-O 3.52Å
37S91.7Very high85.3Confident66 Ų6668.3 Ų68.346%0.46234%0.341SS..THydrogen-bonded Turntrans-65.33.5176.459.40000114.9R119 I120S37-R119 WeakPolarHBondContact CB-O 3.42Å; S37-R119 PolarHBondContact N-O 2.98Å; S37-R119 PolarHBondContact OG-O 2.88Å; S37-I120 VanDerWaalsContact CA-O 3.26Å; S37-I120 WeakPolarHBondContact CA-O 3.34Å; S37-I120 WeakPolarHBondContact CB-O 3.48Å; S37-I120 PolarHBondContact N-O 3.5Å
38R88.4Confident83.3Confident172 Ų17275.1 Ų75.165%0.64937%0.371SS*.THydrogen-bonded Turntrans-118.512.1178.6-52.3164.858.41794.3111.5D36 R40D36-R38 PolarHBondContact O-N 2.9Å; D36-R38 VanDerWaalsContact OD1-CA 3.27Å; D36-R38 WeakPolarHBondContact OD1-CA 3Å; D36-R38 WeakPolarHBondContact OD1-CB 3.42Å; D36-R38 PolarHBondContact OD1-N 3.25Å; D36-R38 WeakPolarHBondContact OD2-CB 3.3Å; D36-R38 WeakPolarHBondContact OD2-CD 3.48Å; R38-R40 HydrophobicContact CB-CG 4.23Å; R38-R40 PolarHBondContact O-N 3.02Å
39L86.1Confident81.7Confident122 Ų12274.6 Ų74.664%0.63938%0.377SS*.SBendtrans57.632.5-179.1-52.5177000113.6L35 D36L35-L39 HydrophobicContact CD1-CD2 4.13Å; D36-L39 PolarHBondContact O-N 3.22Å; D36-L39 PolarHBondContact OD1-N 3.41Å
40R86.8Confident80.8Confident71 Ų7177.4 Ų77.427%0.26839%0.392SS..SBendtrans-101.6155.4168.4-49.3177.1-64.4143.5-2.2107.8L35 D36 R38 C42L35-R40 CarbonylContact C-O 3.6Å; L35-R40 VanDerWaalsContact CA-O 3.24Å; L35-R40 WeakPolarHBondContact CA-O 3.32Å; D36-R40 PolarHBondContact N-O 3.02Å; D36-R40 WeakPolarHBondContact OD1-CA 3.21Å; D36-R40 WeakPolarHBondContact OD1-CB 3.05Å; D36-R40 PolarHBondContact OD1-N 2.91Å; D36-R40 IonicContact OD1-NE 2.74Å; D36-R40 IonicContact OD2-CZ 3.37Å; D36-R40 IonicContact OD2-NE 3.78Å; D36-R40 PolarHBondContact OD2-NE 2.86Å; D36-R40 IonicContact OD2-NH2 3.86Å; D36-R40 PolarHBondContact OD2-NH2 3.5Å; R38-R40 HydrophobicContact CB-CG 4.23Å; R38-R40 PolarHBondContact O-N 3.02Å; R40-C42 PolarHBondContact O-N 2.84Å
41K88.4Confident80.2Confident141 Ų14176.7 Ų76.761%0.61339%0.389SS*.BIsolated β-bridgetrans-63.7138.2163.5-68.9-169.8174.5-1710109.9N34 E43N34-K41 VanDerWaalsContact O-CA 3.25Å; N34-K41 WeakPolarHBondContact O-CA 3.34Å; K41-E43 WeakPolarHBondContact CB-O 3.45Å
42C86.2Confident80Confident8 Ų876.7 Ų76.75%0.05439%0.389CS..SBendtrans-43.6-72.4165.4-67.80000109.4N34 R40 C52 D111N34-C42 PolarHBondContact O-N 2.89Å; R40-C42 PolarHBondContact O-N 2.84Å; C42-C52 HydrophobicContact CB-CB 3.87Å; C42-C52 WeakPolarHBondContact CB-SG 3.3Å; C42-C52 WeakPolarHBondContact SG-CB 3.04Å; C42-C52 CovalentContact SG-SG 2.04Å; C42-C52 PolarHBondContact SG-SG 3.46Å; C42-D111 WeakPolarHBondContact CB-OD2 3.39Å; C42-D111 PolarHBondContact SG-OD2 2.87Å
43E78.9Confident80Confident65 Ų6576.5 Ų76.530%0.30439%0.386SS..SBendtrans-78.9130.9170.9-115.3-54.9133.500113.1K41 L45 N46 D50K41-E43 WeakPolarHBondContact CB-O 3.45Å; E43-L45 PolarHBondContact OE2-N 2.93Å; E43-N46 HydrophobicContact CB-CB 4.46Å; E43-N46 HydrophobicContact CG-CB 4.23Å; E43-N46 PolarHBondContact OE2-N 2.97Å; E43-D50 HydrophobicContact CB-CB 4.32Å; E43-D50 HydrophobicContact CG-CB 4.18Å
44A67.9Low80.3Confident50 Ų5069.3 Ų69.341%0.41336%0.358SS..SBendtrans-104.7-7.1-168.100000114.9R396A44-R396 PolarHBondContact O-NH1 3.33Å; A44-R396 VanDerWaalsContact O-NH1 3.07Å
45L62.1Low80.5Confident125 Ų12570.9 Ų70.965%0.65436%0.364SS*.SBendtrans-138.7-18.3-176.3-71.7174.5000115E43 V47E43-L45 PolarHBondContact OE2-N 2.93Å; L45-V47 PolarHBondContact O-N 3.23Å; L45-V47 VanDerWaalsContact O-N 3.12Å
46N57.7Low80.9Confident83 Ų8369.7 Ų69.744%0.44436%0.358SS..  trans-74.2107.4-170.5-71-11.6000114.4E43 F48 D50E43-N46 HydrophobicContact CB-CB 4.46Å; E43-N46 HydrophobicContact CG-CB 4.23Å; E43-N46 PolarHBondContact OE2-N 2.97Å; N46-F48 VanDerWaalsContact C-N 3.29Å; N46-D50 HydrophobicContact CB-CB 3.55Å; N46-D50 PolarHBondContact ND2-OD2 3.32Å
47V57.6Low81.2Confident131 Ų13171.6 Ų71.679%0.79437%0.367SS*.THydrogen-bonded Turntrans-68.8-26.7174.8177.30000112L45 G49L45-V47 PolarHBondContact O-N 3.23Å; L45-V47 VanDerWaalsContact O-N 3.12Å; V47-G49 PolarHBondContact O-N 2.03Å; V47-G49 VanDerWaalsContact O-N 3.13Å
48F56.8Low81.5Confident201 Ų20168.7 Ų68.788%0.88235%0.346SS*.THydrogen-bonded Turntrans-85.124.8-170.8-65.9-73000114.9N46N46-F48 VanDerWaalsContact C-N 3.29Å
49G64.1Low81.9Confident39 Ų3960.8 Ų60.840%0.40232%0.317SS..  trans74.537173.300000113.6V47 H51V47-G49 PolarHBondContact O-N 2.03Å; V47-G49 VanDerWaalsContact O-N 3.13Å; G49-H51 PolarHBondContact O-CE1 3.31Å; G49-H51 PolarHBondContact O-ND1 3.14Å; G49-H51 VanDerWaalsContact O-ND1 3.09Å
50D77Confident82.3Confident62 Ų6255 Ų5533%0.33229%0.287SS..  trans-71.4144.4174.5-142-5.1000111.4E43 N46 N82E43-D50 HydrophobicContact CB-CB 4.32Å; E43-D50 HydrophobicContact CG-CB 4.18Å; N46-D50 HydrophobicContact CB-CB 3.55Å; N46-D50 PolarHBondContact ND2-OD2 3.32Å; D50-N82 WeakPolarHBondContact CA-ND2 3.33Å; D50-N82 PolarHBondContact OD1-ND2 3.33Å
51H85.6Confident82.7Confident45 Ų4553.1 Ų53.121%0.20828%0.28CS..  trans-127.2164-174.7-62.2-2.2000110.3N34 G49 N82 K84N34-H51 WeakPolarHBondContact OD1-CA 3.1Å; N34-H51 WeakPolarHBondContact OD1-CB 3.31Å; G49-H51 PolarHBondContact O-CE1 3.31Å; G49-H51 PolarHBondContact O-ND1 3.14Å; G49-H51 VanDerWaalsContact O-ND1 3.09Å; H51-N82 HydrophobicContact CB-CB 4.37Å; H51-N82 WeakPolarHBondContact CB-OD1 3.33Å; H51-N82 PolarHBondContact CD2-OD1 3.47Å; H51-N82 VanDerWaalsContact CD2-OD1 3.23Å; H51-N82 VanDerWaalsContact CG-OD1 3.31Å; H51-N82 PolarHBondContact N-ND2 3.48Å; H51-K84 HydrophobicContact CB-CG 4.17Å; H51-K84 VanDerWaalsContact CD2-CD 3.45Å; H51-K84 WeakPolarHBondContact CD2-CD 3.02Å; H51-K84 VanDerWaalsContact CD2-CE 3.44Å; H51-K84 WeakPolarHBondContact CD2-CE 3.38Å; H51-K84 VanDerWaalsContact CD2-CG 3.49Å; H51-K84 WeakPolarHBondContact CD2-CG 3.44Å; H51-K84 PolarHBondContact CE1-NZ 3.47Å; H51-K84 PolarHBondContact ND1-NZ 2.87Å; H51-K84 WeakPolarHBondContact NE2-CE 3.28Å; H51-K84 PolarHBondContact NE2-NZ 2.83Å
52C91Very high83Confident1 Ų146.8 Ų46.81%0.00725%0.253CS..  trans-59.7151176.6-43.10000110.5N34 C42 P54 S83 D111 I120N34-C52 VanDerWaalsContact C-SG 3.58Å; N34-C52 PolarHBondContact ND2-N 2.82Å; N34-C52 PolarHBondContact OD1-N 3.33Å; N34-C52 PolarHBondContact OD1-SG 3Å; N34-C52 VanDerWaalsContact OD1-SG 3.38Å; C42-C52 HydrophobicContact CB-CB 3.87Å; C42-C52 WeakPolarHBondContact CB-SG 3.3Å; C42-C52 WeakPolarHBondContact SG-CB 3.04Å; C42-C52 CovalentContact SG-SG 2.04Å; C42-C52 PolarHBondContact SG-SG 3.46Å; C52-P54 WeakPolarHBondContact O-CD 3.35Å; C52-S83 PolarHBondContact O-N 3.31Å; C52-D111 WeakPolarHBondContact CA-OD1 3.3Å; C52-D111 WeakPolarHBondContact CB-OD1 3.49Å; C52-I120 HydrophobicContact CB-CD1 3.76Å
53D92.8Very high83.2Confident34 Ų3447 Ų4718%0.18226%0.255CS..  trans-106.870.2176.7-85.526.5000109.4F55 V81 N82 D111 S112D53-F55 PolarHBondContact O-N 2.03Å; D53-V81 WeakPolarHBondContact OD1-CA 3.23Å; D53-N82 PolarHBondContact OD1-N 3.37Å; D53-D111 PolarHBondContact N-OD1 3.25Å; D53-S112 PolarHBondContact O-N 2.99Å
54P95.5Very high83.5Confident0 Ų047.7 Ų47.70%026%0.26CS..EExtended strand (participates in β ladder)trans-62.2124.7-170.725.1-37000112.7Y29 C52 F56 F80 I86 I109 Q110 I120Y29-P54 HydrophobicContact CE1-CB 4.21Å; Y29-P54 HydrophobicContact CE1-CG 3.78Å; C52-P54 WeakPolarHBondContact O-CD 3.35Å; P54-F56 HydrophobicContact CB-CD2 4.44Å; P54-F56 HydrophobicContact CB-CE2 3.71Å; P54-F56 HydrophobicContact CB-CZ 4.04Å; P54-F56 HydrophobicContact CG-CE2 4.15Å; P54-F80 VanDerWaalsContact CD-O 3.31Å; P54-F80 WeakPolarHBondContact CD-O 3.43Å; P54-F80 HydrophobicContact CG-CB 4.31Å; P54-F80 WeakPolarHBondContact O-CD2 3.1Å; P54-F80 PolarHBondContact O-N 2.86Å; P54-I86 HydrophobicContact CG-CD1 3.91Å; P54-I109 HydrophobicContact CB-CG2 3.87Å; P54-Q110 CarbonylContact C-O 3.38Å; P54-Q110 VanDerWaalsContact CA-O 3.29Å; P54-Q110 WeakPolarHBondContact CA-O 3.4Å; P54-I120 HydrophobicContact CB-CD1 3.89Å
55F96.2Very high84Confident39 Ų3951.7 Ų51.717%0.17127%0.27CS..EExtended strand (participates in β ladder)trans-112.7128.6168.7-174.6-142000108.6D53 H57 E76 A77 G78 P79 I109 Q110D53-F55 PolarHBondContact O-N 2.03Å; F55-H57 AromaticContact CD1-CE1 3.7Å; F55-H57 AromaticContact CD1-NE2 3.46Å; F55-H57 WeakPolarHBondContact CD1-NE2 3.44Å; F55-H57 AromaticContact CE1-CE1 3.29Å; F55-H57 WeakPolarHBondContact CE1-CE1 3.35Å; F55-H57 AromaticContact CE1-NE2 3.58Å; F55-E76 HydrophobicContact CE2-CB 4Å; F55-E76 HydrophobicContact CZ-CB 3.98Å; F55-A77 WeakPolarHBondContact CD2-O 3.46Å; F55-G78 VanDerWaalsContact CD2-C 3.49Å; F55-P79 HydrophobicContact CB-CB 4.25Å; F55-I109 WeakPolarHBondContact O-CA 3.37Å; F55-Q110 PolarHBondContact N-O 2.84Å; F55-Q110 PolarHBondContact O-N 3.23Å
56F97.4Very high84.2Confident4 Ų455 Ų552%0.01828%0.279CS..EExtended strand (participates in β ladder)trans-110.8115.1-169.6-63.1-106.4000110.2Y29 P54 E76 A77 F80 I86 I89 L107 I109Y29-F56 HydrophobicContact CD1-CZ 4.12Å; Y29-F56 AromaticContact CD2-CE1 3.75Å; Y29-F56 HydrophobicContact CD2-CE1 3.75Å; Y29-F56 AromaticContact CD2-CZ 3.65Å; Y29-F56 HydrophobicContact CD2-CZ 3.65Å; Y29-F56 HydrophobicContact CE2-CE1 4.33Å; Y29-F56 HydrophobicContact CE2-CZ 4.11Å; Y29-F56 HydrophobicContact CG-CE1 4.08Å; Y29-F56 AromaticContact CG-CZ 3.63Å; Y29-F56 HydrophobicContact CG-CZ 3.63Å; P54-F56 HydrophobicContact CB-CD2 4.44Å; P54-F56 HydrophobicContact CB-CE2 3.71Å; P54-F56 HydrophobicContact CB-CZ 4.04Å; P54-F56 HydrophobicContact CG-CE2 4.15Å; F56-E76 CarbonylContact O-C 3.54Å; F56-E76 VanDerWaalsContact O-CA 3.25Å; F56-E76 WeakPolarHBondContact O-CA 3.19Å; F56-A77 HydrophobicContact CB-CB 4.43Å; F56-A77 PolarHBondContact N-O 2.88Å; F56-A77 PolarHBondContact O-N 3.41Å; F56-F80 AromaticContact CD2-CD2 3.93Å; F56-F80 HydrophobicContact CD2-CD2 3.93Å; F56-F80 AromaticContact CD2-CE2 3.86Å; F56-F80 HydrophobicContact CD2-CE2 3.86Å; F56-F80 AromaticContact CE2-CD2 3.72Å; F56-F80 HydrophobicContact CE2-CD2 3.72Å; F56-F80 AromaticContact CE2-CE2 3.92Å; F56-F80 HydrophobicContact CE2-CE2 3.92Å; F56-I86 HydrophobicContact CE2-CD1 3.7Å; F56-I86 HydrophobicContact CZ-CD1 3.91Å; F56-I89 HydrophobicContact CB-CG2 4.1Å; F56-I89 HydrophobicContact CD1-CG2 3.91Å; F56-I89 HydrophobicContact CD2-CG2 3.72Å; F56-I89 HydrophobicContact CE1-CG1 4.04Å; F56-I89 HydrophobicContact CE1-CG2 4.2Å; F56-I89 HydrophobicContact CE2-CG1 4.13Å; F56-I89 HydrophobicContact CE2-CG2 4.04Å; F56-I89 HydrophobicContact CG-CG2 3.66Å; F56-I89 HydrophobicContact CZ-CG1 3.82Å; F56-I89 HydrophobicContact CZ-CG2 4.27Å; F56-L107 HydrophobicContact CB-CD1 4.29Å; F56-L107 HydrophobicContact CD1-CD1 4.22Å; F56-I109 HydrophobicContact CD1-CB 4.48Å; F56-I109 HydrophobicContact CD1-CD1 3.92Å; F56-I109 HydrophobicContact CD1-CG1 3.76Å; F56-I109 HydrophobicContact CD1-CG2 4.09Å; F56-I109 HydrophobicContact CE1-CD1 3.63Å; F56-I109 HydrophobicContact CE1-CG1 3.98Å; F56-I109 HydrophobicContact CE1-CG2 3.99Å; F56-I109 HydrophobicContact CG-CG2 4.44Å; F56-I109 HydrophobicContact CZ-CG2 4.24Å
57H97Very high84.6Confident44 Ų4462.4 Ų62.420%0.20430%0.301CS..EExtended strand (participates in β ladder)trans-97.9108.9168.1-50.6-98000109.2F55 E76 D108F55-H57 AromaticContact CD1-CE1 3.7Å; F55-H57 AromaticContact CD1-NE2 3.46Å; F55-H57 WeakPolarHBondContact CD1-NE2 3.44Å; F55-H57 AromaticContact CE1-CE1 3.29Å; F55-H57 WeakPolarHBondContact CE1-CE1 3.35Å; F55-H57 AromaticContact CE1-NE2 3.58Å; H57-E76 IonicContact CE1-OE1 2.82Å; H57-E76 PolarHBondContact CE1-OE1 3.25Å; H57-E76 IonicContact CG-OE1 3.43Å; H57-E76 IonicContact ND1-OE1 3.39Å; H57-E76 PolarHBondContact ND1-OE1 3.36Å; H57-D108 HydrophobicContact CB-CB 4.36Å; H57-D108 PolarHBondContact N-O 2.87Å; H57-D108 PolarHBondContact O-N 2.85Å
58F97.2Very high85.6Confident5 Ų562 Ų622%0.02229%0.29CS..EExtended strand (participates in β ladder)trans-100.2130.4176.4179.5-111.5000110.7Y24 I26 A60 L73 R74 K75 L90 I105 L107Y24-F58 HydrophobicContact CD1-CE1 4.08Å; Y24-F58 AromaticContact CD1-CZ 3.65Å; Y24-F58 HydrophobicContact CD1-CZ 3.65Å; Y24-F58 HydrophobicContact CD2-CE1 4.42Å; Y24-F58 HydrophobicContact CE1-CZ 4.33Å; Y24-F58 AromaticContact CG-CE1 3.88Å; Y24-F58 HydrophobicContact CG-CE1 3.88Å; Y24-F58 AromaticContact CG-CZ 3.9Å; Y24-F58 HydrophobicContact CG-CZ 3.9Å; I26-F58 HydrophobicContact CD1-CD2 4.07Å; I26-F58 HydrophobicContact CD1-CE2 3.86Å; I26-F58 HydrophobicContact CD1-CZ 4.44Å; I26-F58 HydrophobicContact CG1-CD2 4.27Å; I26-F58 HydrophobicContact CG1-CE2 4.46Å; F58-A60 HydrophobicContact CE1-CB 4.31Å; F58-A60 HydrophobicContact CZ-CB 4.27Å; F58-L73 HydrophobicContact CE1-CD2 4.23Å; F58-R74 CarbonylContact O-C 3.53Å; F58-R74 WeakPolarHBondContact O-CA 3.45Å; F58-K75 PolarHBondContact N-O 2.9Å; F58-K75 PolarHBondContact O-N 3.25Å; F58-L90 HydrophobicContact CB-CD2 3.87Å; F58-L90 HydrophobicContact CD1-CD2 3.79Å; F58-L90 HydrophobicContact CG-CD2 4.02Å; F58-I105 HydrophobicContact CE2-CB 3.95Å; F58-I105 HydrophobicContact CE2-CG2 3.89Å; F58-I105 HydrophobicContact CZ-CB 4.4Å; F58-I105 HydrophobicContact CZ-CG2 3.84Å; F58-L107 HydrophobicContact CB-CD1 4.03Å; F58-L107 HydrophobicContact CD2-CB 4.49Å; F58-L107 HydrophobicContact CD2-CD1 4.16Å
59A97Very high86.8Confident7 Ų757.4 Ų57.46%0.05827%0.27CS..EExtended strand (participates in β ladder)trans-131.1131.5171.700000110.7Y61 L73 R74 E106A59-Y61 HydrophobicContact CB-CE2 3.97Å; A59-L73 WeakPolarHBondContact CA-O 3.42Å; A59-R74 HydrophobicContact CB-CG 4.22Å; A59-E106 PolarHBondContact N-O 3.38Å; A59-E106 PolarHBondContact O-N 3.36Å
60A96.3Very high87.8Confident0 Ų063.3 Ų63.30%028%0.28CS..EExtended strand (participates in β ladder)trans-109.8142.5168.300000110.4Y24 F58 T72 L73 I105Y24-A60 HydrophobicContact CE1-CB 3.77Å; Y24-A60 HydrophobicContact CE2-CB 4.26Å; F58-A60 HydrophobicContact CE1-CB 4.31Å; F58-A60 HydrophobicContact CZ-CB 4.27Å; A60-T72 PolarHBondContact O-N 3.43Å; A60-T72 PolarHBondContact O-OG1 2.95Å; A60-L73 HydrophobicContact CB-CB 4.06Å; A60-L73 PolarHBondContact N-O 3.4Å; A60-L73 PolarHBondContact O-N 3.45Å; A60-I105 HydrophobicContact CB-CG2 4.46Å
61Y94.7Very high88.1Confident31 Ų3162.9 Ų62.912%0.12228%0.282CS..EExtended strand (participates in β ladder)trans-129.5147.7173.8-47.6-100.2000108.6A59 K69 R70 S71 R74 I103 E104 E106A59-Y61 HydrophobicContact CB-CE2 3.97Å; Y61-K69 HydrophobicContact CD1-CD 4.3Å; Y61-K69 HydrophobicContact CD1-CG 4.09Å; Y61-K69 VanDerWaalsContact CD2-CE 3.45Å; Y61-K69 HydrophobicContact CG-CD 4.27Å; Y61-K69 HydrophobicContact CG-CG 4.13Å; Y61-R70 CarbonylContact C-O 3.16Å; Y61-R70 WeakPolarHBondContact CA-O 3.34Å; Y61-R70 WeakPolarHBondContact CB-O 3.33Å; Y61-S71 WeakPolarHBondContact CE1-OG 3.41Å; Y61-R74 VanDerWaalsContact CE1-NH2 3.27Å; Y61-R74 PolarHBondContact OH-NH2 3Å; Y61-I103 CarbonylContact O-C 3.59Å; Y61-I103 WeakPolarHBondContact O-CA 3.44Å; Y61-E104 PolarHBondContact N-O 3.25Å; Y61-E104 PolarHBondContact O-N 3.28Å; Y61-E106 HydrophobicContact CE2-CB 4.15Å
62T93.6Very high88.1Confident8 Ų861.9 Ų61.95%0.04928%0.279CS..EExtended strand (participates in β ladder)trans-127.8159.7174.764.30000111.7R70 T72 Q96 P100 T102 I103T62-R70 PolarHBondContact N-O 3.16Å; T62-R70 PolarHBondContact O-N 2.85Å; T62-T72 HydrophobicContact CG2-CG2 3.99Å; T62-T72 VanDerWaalsContact OG1-CG2 3.25Å; T62-T72 WeakPolarHBondContact OG1-CG2 3.28Å; T62-Q96 VanDerWaalsContact CG2-OE1 3.3Å; T62-Q96 PolarHBondContact OG1-OE1 3.14Å; T62-P100 HydrophobicContact CG2-CB 4.15Å; T62-P100 HydrophobicContact CG2-CG 4.14Å; T62-T102 WeakPolarHBondContact CA-O 3.44Å; T62-I103 HydrophobicContact CG2-CG1 4.02Å
63S91.3Very high88.2Confident13 Ų1362.3 Ų62.39%0.09128%0.281CS..EExtended strand (participates in β ladder)trans-139.1132.3177.3680000110.9E65 E68 D101 T102S63-E65 WeakPolarHBondContact CB-O 3.06Å; S63-E68 VanDerWaalsContact CA-O 3.26Å; S63-E68 WeakPolarHBondContact CA-O 3.34Å; S63-E68 WeakPolarHBondContact CB-O 3.39Å; S63-D101 PolarHBondContact O-N 2.78Å; S63-T102 PolarHBondContact N-O 2.65Å; S63-T102 PolarHBondContact O-N 3.19Å; S63-T102 PolarHBondContact OG-OG1 2.88Å
64I84.9Confident88.4Confident79 Ų7967.8 Ų67.841%0.40530%0.3SS..SBendtrans-92.2-35.2166.4-57.2162.2000109.3I98I64-I98 HydrophobicContact CD1-CB 3.92Å; I64-I98 HydrophobicContact CD1-CD1 3.73Å; I64-I98 HydrophobicContact CD1-CG1 4.37Å; I64-I98 HydrophobicContact CD1-CG2 3.83Å; I64-I98 HydrophobicContact CG1-CG2 4.2Å
65E79.5Confident88.5Confident134 Ų13472 Ų7263%0.62632%0.318SS*.SBendtrans-115.3150.8170.2-65.5-166.8-173.400111.5S63 W67 E68S63-E65 WeakPolarHBondContact CB-O 3.06Å; E65-W67 PolarHBondContact O-N 2.92Å; E65-E68 PolarHBondContact O-N 3.4Å
66K65.9Low88.5Confident194 Ų19476.3 Ų76.384%0.84334%0.338SS*.THydrogen-bonded Turntrans-58.2-4.8-175.7-64.3-172177.6-175.80116.4
67W64.5Low88.4Confident240 Ų24076.8 Ų76.891%0.90934%0.343SS*.THydrogen-bonded Turntrans-125-9.9-178.1-51.9107.6000113.8E65E65-W67 PolarHBondContact O-N 2.92Å
68E79.6Confident88.2Confident122 Ų12276.5 Ų76.557%0.5735%0.352SS*.  trans-100.399.1176.5-171.1177-165.400110.1S63 E65S63-E68 VanDerWaalsContact CA-O 3.26Å; S63-E68 WeakPolarHBondContact CA-O 3.34Å; S63-E68 WeakPolarHBondContact CB-O 3.39Å; E65-E68 PolarHBondContact O-N 3.4Å
69K81.2Confident88Confident105 Ų10579.4 Ų79.446%0.45737%0.372SS..  trans-98.6100.4175.7-178.4175.8175.8172.90110.1Y61 E104Y61-K69 HydrophobicContact CD1-CD 4.3Å; Y61-K69 HydrophobicContact CD1-CG 4.09Å; Y61-K69 VanDerWaalsContact CD2-CE 3.45Å; Y61-K69 HydrophobicContact CG-CD 4.27Å; Y61-K69 HydrophobicContact CG-CG 4.13Å; K69-E104 VanDerWaalsContact CE-OE2 3.28Å; K69-E104 WeakPolarHBondContact CE-OE2 3.28Å; K69-E104 IonicContact NZ-OE1 2.67Å; K69-E104 PolarHBondContact NZ-OE1 3.4Å; K69-E104 IonicContact NZ-OE2 3.92Å; K69-E104 PolarHBondContact NZ-OE2 3.07Å
70R85.1Confident87.9Confident162 Ų16281.7 Ų81.761%0.61138%0.38SS*.EExtended strand (participates in β ladder)trans-89.6124.3175.8-177.1170.6175.4167.9-5.2109.8Y61 T62 T72Y61-R70 CarbonylContact C-O 3.16Å; Y61-R70 WeakPolarHBondContact CA-O 3.34Å; Y61-R70 WeakPolarHBondContact CB-O 3.33Å; T62-R70 PolarHBondContact N-O 3.16Å; T62-R70 PolarHBondContact O-N 2.85Å; R70-T72 HydrophobicContact CG-CG2 4.34Å; R70-T72 PolarHBondContact O-N 3.34Å
71S84.4Confident87.6Confident53 Ų5386.8 Ų86.837%0.37141%0.411SS..EExtended strand (participates in β ladder)trans-70.7120.9167-155.30000107.7Y61 R74Y61-S71 WeakPolarHBondContact CE1-OG 3.41Å; S71-R74 PolarHBondContact OG-NE 2.88Å; S71-R74 PolarHBondContact OG-NH2 2.78Å
72T85.8Confident87.4Confident24 Ų2488.3 Ų88.315%0.14742%0.421CS..EExtended strand (participates in β ladder)trans-105.4-44.5-177.650.40000111.4A60 T62 R70 Q96A60-T72 PolarHBondContact O-N 3.43Å; A60-T72 PolarHBondContact O-OG1 2.95Å; T62-T72 HydrophobicContact CG2-CG2 3.99Å; T62-T72 VanDerWaalsContact OG1-CG2 3.25Å; T62-T72 WeakPolarHBondContact OG1-CG2 3.28Å; R70-T72 HydrophobicContact CG-CG2 4.34Å; R70-T72 PolarHBondContact O-N 3.34Å; T72-Q96 HydrophobicContact CG2-CG 4.33Å
73L92.9Very high87.3Confident10 Ų1089.2 Ų89.25%0.05243%0.428CS..EExtended strand (participates in β ladder)trans-131.5141.1-175-170.159.1000111.5Y24 F58 A59 A60 K75 T92 E94Y24-L73 HydrophobicContact CD2-CD2 3.55Å; Y24-L73 HydrophobicContact CE2-CD2 3.78Å; Y24-L73 HydrophobicContact CG-CD2 4.43Å; F58-L73 HydrophobicContact CE1-CD2 4.23Å; A59-L73 WeakPolarHBondContact CA-O 3.42Å; A60-L73 HydrophobicContact CB-CB 4.06Å; A60-L73 PolarHBondContact N-O 3.4Å; A60-L73 PolarHBondContact O-N 3.45Å; L73-K75 HydrophobicContact CD1-CD 4.45Å; L73-K75 HydrophobicContact CD1-CG 4.07Å; L73-K75 HydrophobicContact CG-CG 4.15Å; L73-T92 HydrophobicContact CD2-CG2 3.68Å; L73-E94 HydrophobicContact CD2-CB 4.47Å
74R96.2Very high87.4Confident150 Ų15091 Ų9157%0.56643%0.434SS*.EExtended strand (participates in β ladder)trans-136.9131.6165.8-67.4-176.9-178.3-86.5-20.6108.6F58 A59 Y61 S71F58-R74 CarbonylContact O-C 3.53Å; F58-R74 WeakPolarHBondContact O-CA 3.45Å; A59-R74 HydrophobicContact CB-CG 4.22Å; Y61-R74 VanDerWaalsContact CE1-NH2 3.27Å; Y61-R74 PolarHBondContact OH-NH2 3Å; S71-R74 PolarHBondContact OG-NE 2.88Å; S71-R74 PolarHBondContact OG-NH2 2.78Å
75K97.1Very high87.9Confident89 Ų8994.3 Ų94.339%0.38744%0.443SS..EExtended strand (participates in β ladder)trans-144.5151.5179.8-67.2-68175.4160.60109.5F58 L73 L90 T92F58-K75 PolarHBondContact N-O 2.9Å; F58-K75 PolarHBondContact O-N 3.25Å; L73-K75 HydrophobicContact CD1-CD 4.45Å; L73-K75 HydrophobicContact CD1-CG 4.07Å; L73-K75 HydrophobicContact CG-CG 4.15Å; K75-L90 HydrophobicContact CB-CD1 4.09Å; K75-L90 HydrophobicContact CB-CD2 3.73Å; K75-L90 HydrophobicContact CG-CD1 4.4Å; K75-L90 HydrophobicContact CG-CD2 4.36Å; K75-T92 VanDerWaalsContact CE-OG1 3.27Å; K75-T92 WeakPolarHBondContact CE-OG1 3.33Å; K75-T92 HydrophobicContact CG-CG2 4.14Å
76E96.3Very high88.8Confident128 Ų12888.7 Ų88.760%0.59842%0.417SS*.EExtended strand (participates in β ladder)trans-130140.7179.4-61.4-179.1153.800108.2F55 F56 H57F55-E76 HydrophobicContact CE2-CB 4Å; F55-E76 HydrophobicContact CZ-CB 3.98Å; F56-E76 CarbonylContact O-C 3.54Å; F56-E76 VanDerWaalsContact O-CA 3.25Å; F56-E76 WeakPolarHBondContact O-CA 3.19Å; H57-E76 IonicContact CE1-OE1 2.82Å; H57-E76 PolarHBondContact CE1-OE1 3.25Å; H57-E76 IonicContact CG-OE1 3.43Å; H57-E76 IonicContact ND1-OE1 3.39Å; H57-E76 PolarHBondContact ND1-OE1 3.36Å
77A96.8Very high90.3Very high14 Ų1485.3 Ų85.312%0.11641%0.408CS..EExtended strand (participates in β ladder)trans-142.4132.7-177.300000111F55 F56 F80 I89F55-A77 WeakPolarHBondContact CD2-O 3.46Å; F56-A77 HydrophobicContact CB-CB 4.43Å; F56-A77 PolarHBondContact N-O 2.88Å; F56-A77 PolarHBondContact O-N 3.41Å; A77-F80 HydrophobicContact CB-CE2 4.18Å; A77-I89 HydrophobicContact CB-CG2 3.87Å
78G93.1Very high91.8Very high38 Ų3878.6 Ų78.639%0.39239%0.387SS..  trans101.4-158.3-171.200000112.6F55 F80F55-G78 VanDerWaalsContact CD2-C 3.49Å; G78-F80 VanDerWaalsContact CA-CD2 3.46Å
79P92.9Very high92.6Very high67 Ų6773.4 Ų73.444%0.43536%0.362SS..  cis-61.9143.5-1.826.1-35.1000112.3F55F55-P79 HydrophobicContact CB-CB 4.25Å
80F93.5Very high93.4Very high55 Ų5569.4 Ų69.424%0.24135%0.346CS..  trans-101.398.6175.6-65.5-94.3000109.1P54 F56 A77 G78 N82 S83 I86 I89P54-F80 VanDerWaalsContact CD-O 3.31Å; P54-F80 WeakPolarHBondContact CD-O 3.43Å; P54-F80 HydrophobicContact CG-CB 4.31Å; P54-F80 WeakPolarHBondContact O-CD2 3.1Å; P54-F80 PolarHBondContact O-N 2.86Å; F56-F80 AromaticContact CD2-CD2 3.93Å; F56-F80 HydrophobicContact CD2-CD2 3.93Å; F56-F80 AromaticContact CD2-CE2 3.86Å; F56-F80 HydrophobicContact CD2-CE2 3.86Å; F56-F80 AromaticContact CE2-CD2 3.72Å; F56-F80 HydrophobicContact CE2-CD2 3.72Å; F56-F80 AromaticContact CE2-CE2 3.92Å; F56-F80 HydrophobicContact CE2-CE2 3.92Å; A77-F80 HydrophobicContact CB-CE2 4.18Å; G78-F80 VanDerWaalsContact CA-CD2 3.46Å; F80-N82 PolarHBondContact O-N 3.31Å; F80-S83 VanDerWaalsContact O-CB 3.22Å; F80-S83 WeakPolarHBondContact O-CB 3.49Å; F80-S83 PolarHBondContact O-OG 2.88Å; F80-I86 HydrophobicContact CB-CD1 3.62Å; F80-I86 HydrophobicContact CB-CG1 4.43Å; F80-I86 HydrophobicContact CD1-CD1 4.05Å; F80-I86 HydrophobicContact CD1-CG1 4.5Å; F80-I86 HydrophobicContact CD1-CG2 4.33Å; F80-I86 HydrophobicContact CD2-CD1 3.72Å; F80-I86 HydrophobicContact CE1-CG2 4.15Å; F80-I86 HydrophobicContact CE2-CD1 4.34Å; F80-I86 HydrophobicContact CG-CD1 3.55Å; F80-I86 HydrophobicContact CG-CG1 4.41Å; F80-I86 HydrophobicContact CZ-CG2 4.49Å; F80-I89 HydrophobicContact CE2-CG2 4.12Å; F80-I89 HydrophobicContact CZ-CG2 4.42Å
81V90.7Very high93.9Very high106 Ų10666.5 Ų66.564%0.64234%0.343SS*.THydrogen-bonded Turntrans-57.8135.8-172.3-177.60000112.5D53 S83D53-V81 WeakPolarHBondContact OD1-CA 3.23Å; V81-S83 PolarHBondContact O-N 3.02Å; V81-S83 VanDerWaalsContact O-N 3.09Å; V81-S83 PolarHBondContact O-OG 2.94Å
82N89.4Confident94.5Very high63 Ų6364.6 Ų64.634%0.33733%0.329SS..THydrogen-bonded Turntrans48.336.5174.9-160.5-68.3000113.2D50 H51 D53 F80D50-N82 WeakPolarHBondContact CA-ND2 3.33Å; D50-N82 PolarHBondContact OD1-ND2 3.33Å; H51-N82 HydrophobicContact CB-CB 4.37Å; H51-N82 WeakPolarHBondContact CB-OD1 3.33Å; H51-N82 PolarHBondContact CD2-OD1 3.47Å; H51-N82 VanDerWaalsContact CD2-OD1 3.23Å; H51-N82 VanDerWaalsContact CG-OD1 3.31Å; H51-N82 PolarHBondContact N-ND2 3.48Å; D53-N82 PolarHBondContact OD1-N 3.37Å; F80-N82 PolarHBondContact O-N 3.31Å
83S92.7Very high94.9Very high28 Ų2870.5 Ų70.520%0.19635%0.349CS..  trans-104.8101.6-164.5-71.30000113.2Y29 C52 F80 V81Y29-S83 WeakPolarHBondContact CE1-O 3.35Å; C52-S83 PolarHBondContact O-N 3.31Å; F80-S83 VanDerWaalsContact O-CB 3.22Å; F80-S83 WeakPolarHBondContact O-CB 3.49Å; F80-S83 PolarHBondContact O-OG 2.88Å; V81-S83 PolarHBondContact O-N 3.02Å; V81-S83 VanDerWaalsContact O-N 3.09Å; V81-S83 PolarHBondContact O-OG 2.94Å
84K93.3Very high95Very high49 Ų4973.2 Ų73.221%0.21336%0.362CS..SBendtrans-78.9-25170.2-79.1-178.6175.21520114.9Q30 N31 P32 H51Q30-K84 CarbonylContact C-O 3.55Å; Q30-K84 WeakPolarHBondContact CA-O 3.35Å; N31-K84 PolarHBondContact N-O 2.91Å; N31-K84 WeakPolarHBondContact O-CG 3.01Å; P32-K84 WeakPolarHBondContact O-CE 3.22Å; H51-K84 HydrophobicContact CB-CG 4.17Å; H51-K84 VanDerWaalsContact CD2-CD 3.45Å; H51-K84 WeakPolarHBondContact CD2-CD 3.02Å; H51-K84 VanDerWaalsContact CD2-CE 3.44Å; H51-K84 WeakPolarHBondContact CD2-CE 3.38Å; H51-K84 VanDerWaalsContact CD2-CG 3.49Å; H51-K84 WeakPolarHBondContact CD2-CG 3.44Å; H51-K84 PolarHBondContact CE1-NZ 3.47Å; H51-K84 PolarHBondContact ND1-NZ 2.87Å; H51-K84 WeakPolarHBondContact NE2-CE 3.28Å; H51-K84 PolarHBondContact NE2-NZ 2.83Å
85Y96Very high94.7Very high149 Ų14970 Ų7058%0.58436%0.355SS*.EExtended strand (participates in β ladder)trans-139.6127.2-173.9-61.9-79.6000108.6Y29 Q30Y29-Y85 WeakPolarHBondContact O-CA 3.03Å; Q30-Y85 HydrophobicContact CB-CD1 4Å; Q30-Y85 HydrophobicContact CB-CE1 4.04Å; Q30-Y85 HydrophobicContact CG-CD1 3.99Å; Q30-Y85 HydrophobicContact CG-CE1 4.26Å
86I97.2Very high94.4Very high17 Ų1766.6 Ų66.69%0.08734%0.34CS..EExtended strand (participates in β ladder)trans-134.9116.4176.4-52.4162.1000107.2N28 Y29 P54 F56 F80 H88 I89N28-I86 WeakPolarHBondContact CA-O 3.43Å; N28-I86 PolarHBondContact N-O 3.03Å; Y29-I86 HydrophobicContact CD1-CB 4.42Å; Y29-I86 HydrophobicContact CD1-CD1 3.86Å; Y29-I86 HydrophobicContact CD1-CG1 4.05Å; Y29-I86 HydrophobicContact CE1-CD1 4.39Å; Y29-I86 HydrophobicContact CG-CD1 4.49Å; Y29-I86 PolarHBondContact N-O 3.02Å; Y29-I86 PolarHBondContact O-N 3.28Å; Y29-I86 VanDerWaalsContact O-N 3.08Å; P54-I86 HydrophobicContact CG-CD1 3.91Å; F56-I86 HydrophobicContact CE2-CD1 3.7Å; F56-I86 HydrophobicContact CZ-CD1 3.91Å; F80-I86 HydrophobicContact CB-CD1 3.62Å; F80-I86 HydrophobicContact CB-CG1 4.43Å; F80-I86 HydrophobicContact CD1-CD1 4.05Å; F80-I86 HydrophobicContact CD1-CG1 4.5Å; F80-I86 HydrophobicContact CD1-CG2 4.33Å; F80-I86 HydrophobicContact CD2-CD1 3.72Å; F80-I86 HydrophobicContact CE1-CG2 4.15Å; F80-I86 HydrophobicContact CE2-CD1 4.34Å; F80-I86 HydrophobicContact CG-CD1 3.55Å; F80-I86 HydrophobicContact CG-CG1 4.41Å; F80-I86 HydrophobicContact CZ-CG2 4.49Å; I86-H88 WeakPolarHBondContact CG2-O 3.49Å; I86-I89 HydrophobicContact CB-CD1 4.04Å; I86-I89 HydrophobicContact CB-CG1 4.14Å; I86-I89 HydrophobicContact CG2-CD1 3.97Å; I86-I89 HydrophobicContact CG2-CG1 3.86Å; I86-I89 WeakPolarHBondContact O-CD1 3.28Å
87D97.2Very high93.9Very high123 Ų12363 Ų6366%0.65833%0.328SS*.EExtended strand (participates in β ladder)trans-67-47.8-179.2-175.844000110.7K27 N28K27-D87 CarbonylContact C-O 3.6Å; K27-D87 VanDerWaalsContact CA-O 3.3Å; K27-D87 WeakPolarHBondContact CA-O 3.16Å; K27-D87 WeakPolarHBondContact CB-O 3.29Å; N28-D87 PolarHBondContact N-O 2.97Å
88H96.8Very high93.4Very high99 Ų9965.8 Ų65.846%0.45834%0.34SS..EExtended strand (participates in β ladder)trans-128.8125-179.6-173.3-83.5000111.6I86I86-H88 WeakPolarHBondContact CG2-O 3.49Å
89I97.3Very high93.4Very high12 Ų1264.4 Ų64.46%0.06232%0.324CS..EExtended strand (participates in β ladder)trans-106.5-50.8-176-64.480.3000110.7I26 F56 A77 F80 I86I26-I89 HydrophobicContact CB-CB 4.34Å; I26-I89 HydrophobicContact CG2-CB 4.2Å; I26-I89 HydrophobicContact CG2-CG2 4.46Å; I26-I89 WeakPolarHBondContact O-CB 3.42Å; I26-I89 PolarHBondContact O-N 3.09Å; F56-I89 HydrophobicContact CB-CG2 4.1Å; F56-I89 HydrophobicContact CD1-CG2 3.91Å; F56-I89 HydrophobicContact CD2-CG2 3.72Å; F56-I89 HydrophobicContact CE1-CG1 4.04Å; F56-I89 HydrophobicContact CE1-CG2 4.2Å; F56-I89 HydrophobicContact CE2-CG1 4.13Å; F56-I89 HydrophobicContact CE2-CG2 4.04Å; F56-I89 HydrophobicContact CG-CG2 3.66Å; F56-I89 HydrophobicContact CZ-CG1 3.82Å; F56-I89 HydrophobicContact CZ-CG2 4.27Å; A77-I89 HydrophobicContact CB-CG2 3.87Å; F80-I89 HydrophobicContact CE2-CG2 4.12Å; F80-I89 HydrophobicContact CZ-CG2 4.42Å; I86-I89 HydrophobicContact CB-CD1 4.04Å; I86-I89 HydrophobicContact CB-CG1 4.14Å; I86-I89 HydrophobicContact CG2-CD1 3.97Å; I86-I89 HydrophobicContact CG2-CG1 3.86Å; I86-I89 WeakPolarHBondContact O-CD1 3.28Å
90L96.6Very high93.4Very high22 Ų2261.2 Ų61.212%0.11530%0.303CS..EExtended strand (participates in β ladder)trans-152.1133.9-172.3175.866.5000110.4V25 I26 F58 K75 T92V25-L90 CarbonylContact C-O 3.6Å; V25-L90 WeakPolarHBondContact CA-O 3.04Å; I26-L90 HydrophobicContact CB-CB 4.18Å; I26-L90 HydrophobicContact CG1-CB 4.3Å; I26-L90 HydrophobicContact CG1-CD2 4.34Å; I26-L90 PolarHBondContact N-O 3.06Å; I26-L90 PolarHBondContact O-N 2.96Å; I26-L90 VanDerWaalsContact O-N 3.13Å; F58-L90 HydrophobicContact CB-CD2 3.87Å; F58-L90 HydrophobicContact CD1-CD2 3.79Å; F58-L90 HydrophobicContact CG-CD2 4.02Å; K75-L90 HydrophobicContact CB-CD1 4.09Å; K75-L90 HydrophobicContact CB-CD2 3.73Å; K75-L90 HydrophobicContact CG-CD1 4.4Å; K75-L90 HydrophobicContact CG-CD2 4.36Å; L90-T92 HydrophobicContact CD1-CG2 4.2Å; L90-T92 HydrophobicContact CD2-CG2 3.92Å; L90-T92 HydrophobicContact CG-CG2 3.92Å
91D96.9Very high93.3Very high101 Ų10162.3 Ų62.354%0.5431%0.311SS..EExtended strand (participates in β ladder)trans-123.7134.4160.3-175.71000107.4V25V25-D91 HydrophobicContact CG2-CB 4.35Å
92T96.2Very high93.4Very high12 Ų1259.1 Ų59.17%0.07429%0.292CS..EExtended strand (participates in β ladder)trans-164.3152.3-175.3-1770000110S23 Y24 L73 K75 L90S23-T92 WeakPolarHBondContact CA-O 3.45Å; Y24-T92 PolarHBondContact N-O 2.69Å; Y24-T92 PolarHBondContact O-N 2.85Å; L73-T92 HydrophobicContact CD2-CG2 3.68Å; K75-T92 VanDerWaalsContact CE-OG1 3.27Å; K75-T92 WeakPolarHBondContact CE-OG1 3.33Å; K75-T92 HydrophobicContact CG-CG2 4.14Å; L90-T92 HydrophobicContact CD1-CG2 4.2Å; L90-T92 HydrophobicContact CD2-CG2 3.92Å; L90-T92 HydrophobicContact CG-CG2 3.92Å
93Y94.7Very high93.7Very high148 Ų14856.1 Ų56.158%0.5828%0.276SS*.EExtended strand (participates in β ladder)trans-131.4164.7172.669-83.9000111.5N21 I22 I95N21-Y93 WeakPolarHBondContact OD1-CD2 3.18Å; I22-Y93 CarbonylContact O-C 3.58Å; I22-Y93 WeakPolarHBondContact O-CA 3.46Å; Y93-I95 HydrophobicContact CD2-CG1 4.41Å; Y93-I95 HydrophobicContact CE2-CG1 4.46Å
94E93.3Very high93.8Very high67 Ų6756.5 Ų56.531%0.31328%0.275SS..EExtended strand (participates in β ladder)trans-142.9138.6173.1-179.265.1-170.900108.7I22 L73I22-E94 PolarHBondContact N-O 3.05Å; I22-E94 PolarHBondContact O-N 3.1Å; L73-E94 HydrophobicContact CD2-CB 4.47Å
95I91.4Very high93.9Very high83 Ų8354.3 Ų54.343%0.42627%0.265SS..EExtended strand (participates in β ladder)trans-100.2128.1175.6-60.4174.7000109D19 V20 Y93 T154D19-I95 HydrophobicContact CB-CG2 4.32Å; V20-I95 CarbonylContact O-C 3.53Å; V20-I95 WeakPolarHBondContact O-CA 3.41Å; Y93-I95 HydrophobicContact CD2-CG1 4.41Å; Y93-I95 HydrophobicContact CE2-CG1 4.46Å; I95-T154 HydrophobicContact CD1-CG2 4.39Å; I95-T154 HydrophobicContact CG2-CG2 4.17Å
96Q89.6Confident93.9Very high17 Ų1748.7 Ų48.78%0.07924%0.244CC..EExtended strand (participates in β ladder)trans-117.6139.4177.4-75.5173.170.100111A18 D19 V20 T62 T72 I98A18-Q96 VanDerWaalsContact O-O 3.1Å; D19-Q96 WeakPolarHBondContact CA-O 3.02Å; V20-Q96 PolarHBondContact N-O 3.11Å; V20-Q96 PolarHBondContact O-N 3.28Å; T62-Q96 VanDerWaalsContact CG2-OE1 3.3Å; T62-Q96 PolarHBondContact OG1-OE1 3.14Å; T72-Q96 HydrophobicContact CG2-CG 4.33Å; Q96-I98 PolarHBondContact O-N 2.95Å
97P86Confident93.9Very high52 Ų5248 Ų4834%0.33824%0.241SC..SBendtrans-79.51.5-17534.1-38.3000113.9T17 A18T17-P97 CarbonylContact C-O 3.55Å; T17-P97 VanDerWaalsContact C-O 3.24Å; T17-P97 WeakPolarHBondContact CA-O 3.47Å; T17-P97 WeakPolarHBondContact CB-O 3.48Å; T17-P97 HydrophobicContact CG2-CB 3.98Å; A18-P97 CarbonylContact C-O 3.58Å; A18-P97 PolarHBondContact N-O 3.43Å; A18-P97 CarbonylContact O-C 3.52Å
98I87.1Confident93.9Very high73 Ų7342.9 Ų42.937%0.37421%0.213SC..SBendtrans-147138.4178.1-56.8177.9000107.1A18 I64 Q96 P100A18-I98 PolarHBondContact O-N 2.86Å; I64-I98 HydrophobicContact CD1-CB 3.92Å; I64-I98 HydrophobicContact CD1-CD1 3.73Å; I64-I98 HydrophobicContact CD1-CG1 4.37Å; I64-I98 HydrophobicContact CD1-CG2 3.83Å; I64-I98 HydrophobicContact CG1-CG2 4.2Å; Q96-I98 PolarHBondContact O-N 2.95Å; I98-P100 WeakPolarHBondContact O-CD 3.36Å
99F92.1Very high93.9Very high10 Ų1038.1 Ų38.14%0.04419%0.191CC..  trans-66.2119.8172.5-167-74.3000110.9V20 L129 K132 I151 R161V20-F99 HydrophobicContact CG1-CD2 4.19Å; V20-F99 HydrophobicContact CG2-CB 3.91Å; V20-F99 HydrophobicContact CG2-CD2 3.78Å; V20-F99 HydrophobicContact CG2-CG 4.28Å; F99-L129 HydrophobicContact CE1-CB 3.79Å; F99-L129 HydrophobicContact CE1-CD1 4.38Å; F99-L129 HydrophobicContact CZ-CB 4.28Å; F99-K132 HydrophobicContact CE2-CB 4.1Å; F99-I151 HydrophobicContact CD2-CG2 4.23Å; F99-I151 HydrophobicContact CE2-CG2 3.51Å; F99-I151 HydrophobicContact CZ-CG2 4Å; F99-R161 HydrophobicContact CB-CB 4.2Å; F99-R161 VanDerWaalsContact CB-O 3.31Å; F99-R161 WeakPolarHBondContact CB-O 3.47Å; F99-R161 HydrophobicContact CD1-CB 4.22Å; F99-R161 HydrophobicContact CD1-CG 4.24Å; F99-R161 VanDerWaalsContact CD1-CZ 3.45Å; F99-R161 HydrophobicContact CD2-CB 3.91Å; F99-R161 VanDerWaalsContact CD2-O 3.26Å; F99-R161 WeakPolarHBondContact CD2-O 3.29Å; F99-R161 HydrophobicContact CE1-CG 4.3Å; F99-R161 HydrophobicContact CE2-CB 4.35Å; F99-R161 HydrophobicContact CG-CB 3.84Å; F99-R161 HydrophobicContact CG-CG 4.36Å; F99-R161 HydrophobicContact CZ-CG 4.47Å
100P92.6Very high93.8Very high0 Ų039.4 Ų39.40%020%0.197CC..  trans-80145.8-175.831.6-33.9000112.9I22 T62 I98 I103 L129I22-P100 HydrophobicContact CD1-CG 3.88Å; T62-P100 HydrophobicContact CG2-CB 4.15Å; T62-P100 HydrophobicContact CG2-CG 4.14Å; I98-P100 WeakPolarHBondContact O-CD 3.36Å; P100-I103 HydrophobicContact CG-CG1 4.34Å; P100-L129 HydrophobicContact CG-CD1 4.27Å
101D92.2Very high93.6Very high78 Ų7838.7 Ų38.742%0.41719%0.193SC..SBendtrans-77.4-30.7176.8-91.715.9000112.8S63 L129 R161S63-D101 PolarHBondContact O-N 2.78Å; D101-L129 PolarHBondContact O-N 2.04Å; D101-R161 IonicContact OD1-CZ 3.67Å; D101-R161 IonicContact OD1-NH1 3.72Å; D101-R161 IonicContact OD1-NH2 3.14Å; D101-R161 PolarHBondContact OD1-NH2 3.18Å
102T93.5Very high93.4Very high39 Ų3935.7 Ų35.724%0.23918%0.18CC..EExtended strand (participates in β ladder)trans-140.1151.7168.790.90000112.4T62 S63 V127T62-T102 WeakPolarHBondContact CA-O 3.44Å; S63-T102 PolarHBondContact N-O 2.65Å; S63-T102 PolarHBondContact O-N 3.19Å; S63-T102 PolarHBondContact OG-OG1 2.88Å; T102-V127 CarbonylContact C-O 3.56Å; T102-V127 WeakPolarHBondContact CA-O 3.2Å; T102-V127 WeakPolarHBondContact CB-O 3.49Å
103I94.6Very high92.9Very high0 Ų037.8 Ų37.80%019%0.191CC..EExtended strand (participates in β ladder)trans-113.9131.3164.3-58.5-179.3000108.1I22 Y24 Y61 T62 P100 I105 T126 V127 L129 I149 I151I22-I103 HydrophobicContact CD1-CD1 3.96Å; I22-I103 HydrophobicContact CG2-CD1 3.94Å; Y24-I103 HydrophobicContact CE1-CG2 4.08Å; Y61-I103 CarbonylContact O-C 3.59Å; Y61-I103 WeakPolarHBondContact O-CA 3.44Å; T62-I103 HydrophobicContact CG2-CG1 4.02Å; P100-I103 HydrophobicContact CG-CG1 4.34Å; I103-I105 HydrophobicContact CG2-CG2 4.06Å; I103-T126 CarbonylContact O-C 3.09Å; I103-T126 WeakPolarHBondContact O-CA 3.31Å; I103-V127 PolarHBondContact N-O 3.46Å; I103-V127 PolarHBondContact O-N 2.71Å; I103-L129 HydrophobicContact CD1-CD1 3.63Å; I103-L129 HydrophobicContact CG1-CD1 3.68Å; I103-L129 HydrophobicContact CG1-CG 4.48Å; I103-I149 HydrophobicContact CD1-CG2 4.03Å; I103-I149 HydrophobicContact CG2-CD1 4.36Å; I103-I151 HydrophobicContact CD1-CG1 4.46Å
104E94.8Very high92Very high36 Ų3639.1 Ų39.117%0.16821%0.206CC..EExtended strand (participates in β ladder)trans-107.4122163.1-169.7-170.6137.400109Y61 K69 R125Y61-E104 PolarHBondContact N-O 3.25Å; Y61-E104 PolarHBondContact O-N 3.28Å; K69-E104 VanDerWaalsContact CE-OE2 3.28Å; K69-E104 WeakPolarHBondContact CE-OE2 3.28Å; K69-E104 IonicContact NZ-OE1 2.67Å; K69-E104 PolarHBondContact NZ-OE1 3.4Å; K69-E104 IonicContact NZ-OE2 3.92Å; K69-E104 PolarHBondContact NZ-OE2 3.07Å; E104-R125 CarbonylContact C-O 3.52Å; E104-R125 WeakPolarHBondContact CA-O 3.18Å
105I95.3Very high91.1Very high3 Ų343.6 Ų43.62%0.01523%0.233CC..EExtended strand (participates in β ladder)trans-99.6139.6168.558167.4000110.4Y24 F58 A60 I103 R124 R125 M139 A147 I149Y24-I105 HydrophobicContact CD1-CG2 4.27Å; Y24-I105 HydrophobicContact CE1-CG2 4.12Å; F58-I105 HydrophobicContact CE2-CB 3.95Å; F58-I105 HydrophobicContact CE2-CG2 3.89Å; F58-I105 HydrophobicContact CZ-CB 4.4Å; F58-I105 HydrophobicContact CZ-CG2 3.84Å; A60-I105 HydrophobicContact CB-CG2 4.46Å; I103-I105 HydrophobicContact CG2-CG2 4.06Å; I105-R124 VanDerWaalsContact O-CA 3.3Å; I105-R124 WeakPolarHBondContact O-CA 3.47Å; I105-R125 HydrophobicContact CD1-CB 4.3Å; I105-R125 HydrophobicContact CG1-CB 3.91Å; I105-R125 PolarHBondContact N-O 2.87Å; I105-R125 PolarHBondContact O-N 2.76Å; I105-M139 HydrophobicContact CD1-CE 4.38Å; I105-M139 HydrophobicContact CD1-SD 4.33Å; I105-A147 HydrophobicContact CD1-CB 3.89Å; I105-I149 HydrophobicContact CD1-CD1 4.43Å; I105-I149 HydrophobicContact CG2-CD1 3.81Å
106E96.6Very high90.7Very high30 Ų3047.3 Ų47.314%0.1425%0.248CC..EExtended strand (participates in β ladder)trans-125.4127.3170-179.2166.3172.900108.5A59 Y61 L122 F123 R124A59-E106 PolarHBondContact N-O 3.38Å; A59-E106 PolarHBondContact O-N 3.36Å; Y61-E106 HydrophobicContact CE2-CB 4.15Å; E106-L122 HydrophobicContact CG-CD1 3.9Å; E106-F123 WeakPolarHBondContact CA-O 3.33Å; E106-R124 HydrophobicContact CB-CG 4.1Å; E106-R124 HydrophobicContact CG-CG 3.93Å; E106-R124 IonicContact OE1-CZ 2.64Å; E106-R124 IonicContact OE1-NE 3.08Å; E106-R124 PolarHBondContact OE1-NE 3.09Å; E106-R124 IonicContact OE1-NH2 2.76Å; E106-R124 PolarHBondContact OE1-NH2 3.13Å; E106-R124 IonicContact OE2-CZ 2.68Å; E106-R124 IonicContact OE2-NE 3.26Å; E106-R124 PolarHBondContact OE2-NE 3.19Å; E106-R124 IonicContact OE2-NH2 3.13Å; E106-R124 PolarHBondContact OE2-NH2 2.76Å
107L97.4Very high90.4Very high3 Ų350 Ų502%0.01626%0.263CS..EExtended strand (participates in β ladder)trans-128.2105.7178.2-178.664.7000108.3I26 F56 F58 I109 F123 M139 V145I26-L107 HydrophobicContact CG2-CD2 3.89Å; F56-L107 HydrophobicContact CB-CD1 4.29Å; F56-L107 HydrophobicContact CD1-CD1 4.22Å; F58-L107 HydrophobicContact CB-CD1 4.03Å; F58-L107 HydrophobicContact CD2-CB 4.49Å; F58-L107 HydrophobicContact CD2-CD1 4.16Å; L107-I109 HydrophobicContact CD2-CD1 4.48Å; L107-I109 HydrophobicContact CG-CG1 4.21Å; L107-F123 HydrophobicContact CB-CB 4.48Å; L107-F123 HydrophobicContact CD2-CD2 4.47Å; L107-F123 PolarHBondContact N-O 3.42Å; L107-F123 PolarHBondContact O-N 2.67Å; L107-M139 HydrophobicContact CD2-CE 4.16Å; L107-V145 HydrophobicContact CD2-CG1 3.91Å; L107-V145 HydrophobicContact CD2-CG2 4.13Å
108D96.7Very high90.5Very high15 Ų1549.9 Ų49.98%0.0826%0.258CS..EExtended strand (participates in β ladder)trans-96.7125.5173.9-164.717.4000109.1H57 Q110 R119 L122H57-D108 HydrophobicContact CB-CB 4.36Å; H57-D108 PolarHBondContact N-O 2.87Å; H57-D108 PolarHBondContact O-N 2.85Å; D108-Q110 PolarHBondContact OD2-NE2 2.94Å; D108-R119 VanDerWaalsContact CG-NH2 3.27Å; D108-R119 IonicContact OD1-CZ 2.79Å; D108-R119 IonicContact OD1-NE 3.75Å; D108-R119 PolarHBondContact OD1-NE 2.86Å; D108-R119 IonicContact OD1-NH2 3.66Å; D108-R119 PolarHBondContact OD1-NH2 2.89Å; D108-R119 IonicContact OD2-CZ 2.7Å; D108-R119 IonicContact OD2-NE 3.36Å; D108-R119 IonicContact OD2-NH2 2.69Å; D108-R119 PolarHBondContact OD2-NH2 2.86Å; D108-L122 HydrophobicContact CB-CD1 3.79Å
109I96.7Very high90.9Very high0 Ų051.3 Ų51.30%026%0.259CS..EExtended strand (participates in β ladder)trans-114.9119.8179.3-45.2179.9000106.9Y29 P54 F55 F56 L107 I120 A121 F123Y29-I109 HydrophobicContact CD2-CD1 4.02Å; Y29-I109 HydrophobicContact CE2-CD1 3.99Å; Y29-I109 HydrophobicContact CE2-CG2 4.19Å; P54-I109 HydrophobicContact CB-CG2 3.87Å; F55-I109 WeakPolarHBondContact O-CA 3.37Å; F56-I109 HydrophobicContact CD1-CB 4.48Å; F56-I109 HydrophobicContact CD1-CD1 3.92Å; F56-I109 HydrophobicContact CD1-CG1 3.76Å; F56-I109 HydrophobicContact CD1-CG2 4.09Å; F56-I109 HydrophobicContact CE1-CD1 3.63Å; F56-I109 HydrophobicContact CE1-CG1 3.98Å; F56-I109 HydrophobicContact CE1-CG2 3.99Å; F56-I109 HydrophobicContact CG-CG2 4.44Å; F56-I109 HydrophobicContact CZ-CG2 4.24Å; L107-I109 HydrophobicContact CD2-CD1 4.48Å; L107-I109 HydrophobicContact CG-CG1 4.21Å; I109-I120 HydrophobicContact CB-CB 4.28Å; I109-I120 HydrophobicContact CG2-CB 4.12Å; I109-I120 HydrophobicContact CG2-CD1 4.2Å; I109-I120 HydrophobicContact CG2-CG2 4.34Å; I109-I120 WeakPolarHBondContact O-CA 3.38Å; I109-I120 WeakPolarHBondContact O-CB 3.47Å; I109-I120 PolarHBondContact O-N 3.15Å; I109-A121 HydrophobicContact CD1-CB 4.37Å; I109-A121 PolarHBondContact N-O 3.36Å; I109-A121 PolarHBondContact O-N 3.04Å; I109-A121 VanDerWaalsContact O-N 3.1Å; I109-F123 HydrophobicContact CD1-CD2 4.3Å; I109-F123 HydrophobicContact CD1-CE2 3.88Å
110Q95.1Very high91Very high39 Ų3951 Ų5118%0.18226%0.257CS..EExtended strand (participates in β ladder)trans-118.8151.8-177.4-54.2-174.815.900110P54 F55 D108 D117P54-Q110 CarbonylContact C-O 3.38Å; P54-Q110 VanDerWaalsContact CA-O 3.29Å; P54-Q110 WeakPolarHBondContact CA-O 3.4Å; F55-Q110 PolarHBondContact N-O 2.84Å; F55-Q110 PolarHBondContact O-N 3.23Å; D108-Q110 PolarHBondContact OD2-NE2 2.94Å; Q110-D117 HydrophobicContact CB-CB 4.23Å
111D93.7Very high91.2Very high6 Ų651.4 Ų51.43%0.03226%0.261CS..EExtended strand (participates in β ladder)trans-94114.9177.3-164.226.2000107.4C42 C52 D53 D113 D117 Q118 I120C42-D111 WeakPolarHBondContact CB-OD2 3.39Å; C42-D111 PolarHBondContact SG-OD2 2.87Å; C52-D111 WeakPolarHBondContact CA-OD1 3.3Å; C52-D111 WeakPolarHBondContact CB-OD1 3.49Å; D53-D111 PolarHBondContact N-OD1 3.25Å; D111-D113 PolarHBondContact O-N 3.26Å; D111-D117 CarbonylContact O-C 3.55Å; D111-D117 VanDerWaalsContact O-CA 3.26Å; D111-D117 WeakPolarHBondContact O-CA 3.26Å; D111-Q118 HydrophobicContact CB-CB 4.06Å; D111-Q118 WeakPolarHBondContact CB-O 3.25Å; D111-Q118 PolarHBondContact N-O 3.16Å; D111-Q118 PolarHBondContact O-N 2.84Å; D111-I120 HydrophobicContact CB-CD1 3.93Å; D111-I120 HydrophobicContact CB-CG1 3.8Å
112S92.3Very high91.4Very high38 Ų3850 Ų5027%0.26625%0.253SS..  trans-85.680.2-167.1-152.30000112.7D53 D117D53-S112 PolarHBondContact O-N 2.99Å; S112-D117 WeakPolarHBondContact CA-OD1 3.27Å; S112-D117 PolarHBondContact OG-OD1 2.92Å; S112-D117 VanDerWaalsContact OG-OD1 3.12Å
113D85.2Confident91.6Very high57 Ų5749.6 Ų49.631%0.30525%0.248SC..  trans-78.9156.5177-79.1-40.6000112.6D111 D115 Q118D111-D113 PolarHBondContact O-N 3.26Å; D113-D115 VanDerWaalsContact C-N 3.27Å; D113-D115 PolarHBondContact O-N 2.94Å; D113-Q118 PolarHBondContact OD2-NE2 2.81Å
114I76.1Confident91.6Very high175 Ų17555.7 Ų55.790%0.89727%0.271SS*.SBendtrans-67.4-27.8172.4-64.5173.2000112.1
115D75.1Confident91.6Very high162 Ų16255.7 Ų55.787%0.86627%0.269SS*.SBendtrans-96.1-49.4-170.8-78.6-11.5000113.9D113D113-D115 VanDerWaalsContact C-N 3.27Å; D113-D115 PolarHBondContact O-N 2.94Å
116E81Confident91.5Very high160 Ų16059.5 Ų59.575%0.74829%0.293SS*.SBendtrans-166.3119.9-179.2-179.4176.8-15400109.9Q118E116-Q118 PolarHBondContact O-N 3.22Å
117D83.6Confident91.4Very high74 Ų7458.4 Ų58.440%0.39629%0.289SS..  trans-59.5120.3-175.7-55.7-80.8000112.6Q110 D111 S112Q110-D117 HydrophobicContact CB-CB 4.23Å; D111-D117 CarbonylContact O-C 3.55Å; D111-D117 VanDerWaalsContact O-CA 3.26Å; D111-D117 WeakPolarHBondContact O-CA 3.26Å; S112-D117 WeakPolarHBondContact CA-OD1 3.27Å; S112-D117 PolarHBondContact OG-OD1 2.92Å; S112-D117 VanDerWaalsContact OG-OD1 3.12Å
118Q89.7Confident91.2Very high49 Ų4963 Ų6323%0.22932%0.318CS..EExtended strand (participates in β ladder)trans-94.2113.8-176.2-65.5-176.188.900111.6D111 D113 E116 I120D111-Q118 HydrophobicContact CB-CB 4.06Å; D111-Q118 WeakPolarHBondContact CB-O 3.25Å; D111-Q118 PolarHBondContact N-O 3.16Å; D111-Q118 PolarHBondContact O-N 2.84Å; D113-Q118 PolarHBondContact OD2-NE2 2.81Å; E116-Q118 PolarHBondContact O-N 3.22Å; Q118-I120 PolarHBondContact O-N 2.81Å; Q118-I120 VanDerWaalsContact O-N 3.07Å
119R94.3Very high91Very high104 Ų10462.6 Ų62.639%0.39232%0.316SS..EExtended strand (participates in β ladder)trans-53119.3177.3177.7176.2-78148.52.3112.7S37 D108S37-R119 WeakPolarHBondContact CB-O 3.42Å; S37-R119 PolarHBondContact N-O 2.98Å; S37-R119 PolarHBondContact OG-O 2.88Å; D108-R119 VanDerWaalsContact CG-NH2 3.27Å; D108-R119 IonicContact OD1-CZ 2.79Å; D108-R119 IonicContact OD1-NE 3.75Å; D108-R119 PolarHBondContact OD1-NE 2.86Å; D108-R119 IonicContact OD1-NH2 3.66Å; D108-R119 PolarHBondContact OD1-NH2 2.89Å; D108-R119 IonicContact OD2-CZ 2.7Å; D108-R119 IonicContact OD2-NE 3.36Å; D108-R119 IonicContact OD2-NH2 2.69Å; D108-R119 PolarHBondContact OD2-NH2 2.86Å
120I95.4Very high90.6Very high3 Ų370.4 Ų70.42%0.01535%0.353CS..EExtended strand (participates in β ladder)trans-78.3-53.9171.2-64.8174.2000110.1D36 S37 C52 P54 I109 D111 Q118 V143D36-I120 CarbonylContact C-O 3.52Å; S37-I120 VanDerWaalsContact CA-O 3.26Å; S37-I120 WeakPolarHBondContact CA-O 3.34Å; S37-I120 WeakPolarHBondContact CB-O 3.48Å; S37-I120 PolarHBondContact N-O 3.5Å; C52-I120 HydrophobicContact CB-CD1 3.76Å; P54-I120 HydrophobicContact CB-CD1 3.89Å; I109-I120 HydrophobicContact CB-CB 4.28Å; I109-I120 HydrophobicContact CG2-CB 4.12Å; I109-I120 HydrophobicContact CG2-CD1 4.2Å; I109-I120 HydrophobicContact CG2-CG2 4.34Å; I109-I120 WeakPolarHBondContact O-CA 3.38Å; I109-I120 WeakPolarHBondContact O-CB 3.47Å; I109-I120 PolarHBondContact O-N 3.15Å; D111-I120 HydrophobicContact CB-CD1 3.93Å; D111-I120 HydrophobicContact CB-CG1 3.8Å; Q118-I120 PolarHBondContact O-N 2.81Å; Q118-I120 VanDerWaalsContact O-N 3.07Å; I120-V143 HydrophobicContact CG2-CG1 4.13Å; I120-V143 HydrophobicContact CG2-CG2 3.86Å
121A95.8Very high90.5Very high9 Ų971.4 Ų71.47%0.07436%0.361CS..EExtended strand (participates in β ladder)trans-155.4153.8-179.400000111.3I109 F123 V143I109-A121 HydrophobicContact CD1-CB 4.37Å; I109-A121 PolarHBondContact N-O 3.36Å; I109-A121 PolarHBondContact O-N 3.04Å; I109-A121 VanDerWaalsContact O-N 3.1Å; A121-F123 HydrophobicContact CB-CD2 4.44Å; A121-F123 HydrophobicContact CB-CE1 4.47Å; A121-F123 HydrophobicContact CB-CE2 3.72Å; A121-F123 HydrophobicContact CB-CZ 3.75Å; A121-V143 HydrophobicContact CB-CB 4.31Å; A121-V143 HydrophobicContact CB-CG1 4.12Å
122L96.5Very high90.5Very high49 Ų4974.4 Ų74.426%0.25737%0.374SS..EExtended strand (participates in β ladder)trans-130.2119.7168.5175.665.4000108.6E106 D108E106-L122 HydrophobicContact CG-CD1 3.9Å; D108-L122 HydrophobicContact CB-CD1 3.79Å
123F96.8Very high90.6Very high29 Ų2974 Ų7413%0.12738%0.375CS..EExtended strand (participates in β ladder)trans-110.8139.3176.1-57-64.1000110.5E106 L107 I109 A121 M139 G140 V145E106-F123 WeakPolarHBondContact CA-O 3.33Å; L107-F123 HydrophobicContact CB-CB 4.48Å; L107-F123 HydrophobicContact CD2-CD2 4.47Å; L107-F123 PolarHBondContact N-O 3.42Å; L107-F123 PolarHBondContact O-N 2.67Å; I109-F123 HydrophobicContact CD1-CD2 4.3Å; I109-F123 HydrophobicContact CD1-CE2 3.88Å; A121-F123 HydrophobicContact CB-CD2 4.44Å; A121-F123 HydrophobicContact CB-CE1 4.47Å; A121-F123 HydrophobicContact CB-CE2 3.72Å; A121-F123 HydrophobicContact CB-CZ 3.75Å; F123-M139 HydrophobicContact CB-CB 4.37Å; F123-M139 HydrophobicContact CB-CE 4.07Å; F123-M139 HydrophobicContact CB-SD 3.81Å; F123-M139 HydrophobicContact CD1-CB 3.91Å; F123-M139 HydrophobicContact CD2-CB 4.33Å; F123-M139 HydrophobicContact CE1-CB 4.27Å; F123-M139 HydrophobicContact CG-CB 3.94Å; F123-M139 HydrophobicContact CG-CE 4.45Å; F123-M139 HydrophobicContact CG-SD 4.39Å; F123-G140 VanDerWaalsContact CE1-CA 3.45Å; F123-V145 HydrophobicContact CD2-CG1 3.68Å; F123-V145 HydrophobicContact CE2-CG1 3.55Å; F123-V145 HydrophobicContact CZ-CG1 4.4Å
124R95.8Very high91.1Very high129 Ų12977.7 Ų77.749%0.48739%0.389SS..EExtended strand (participates in β ladder)trans-132.5137.1167.3-72.4-172.2178122.12.4109.8I105 E106I105-R124 VanDerWaalsContact O-CA 3.3Å; I105-R124 WeakPolarHBondContact O-CA 3.47Å; E106-R124 HydrophobicContact CB-CG 4.1Å; E106-R124 HydrophobicContact CG-CG 3.93Å; E106-R124 IonicContact OE1-CZ 2.64Å; E106-R124 IonicContact OE1-NE 3.08Å; E106-R124 PolarHBondContact OE1-NE 3.09Å; E106-R124 IonicContact OE1-NH2 2.76Å; E106-R124 PolarHBondContact OE1-NH2 3.13Å; E106-R124 IonicContact OE2-CZ 2.68Å; E106-R124 IonicContact OE2-NE 3.26Å; E106-R124 PolarHBondContact OE2-NE 3.19Å; E106-R124 IonicContact OE2-NH2 3.13Å; E106-R124 PolarHBondContact OE2-NH2 2.76Å
125R94.3Very high92Very high35 Ų3571.9 Ų71.913%0.13236%0.358CS..EExtended strand (participates in β ladder)trans-140.1133.5172.2-72.2-63.7-178.5-138.74.6110.2E104 I105 M139 I413E104-R125 CarbonylContact C-O 3.52Å; E104-R125 WeakPolarHBondContact CA-O 3.18Å; I105-R125 HydrophobicContact CD1-CB 4.3Å; I105-R125 HydrophobicContact CG1-CB 3.91Å; I105-R125 PolarHBondContact N-O 2.87Å; I105-R125 PolarHBondContact O-N 2.76Å; R125-M139 HydrophobicContact CG-CG 4.36Å; R125-M139 HydrophobicContact CG-SD 3.71Å; R125-I413 PolarHBondContact NH1-O 2.82Å; R125-I413 PolarHBondContact NH2-O 2.71Å
126T94Very high93Very high83 Ų8370.3 Ų70.351%0.50935%0.345SS..EExtended strand (participates in β ladder)trans-106.8131.9171.5-49.50000108.5I103I103-T126 CarbonylContact O-C 3.09Å; I103-T126 WeakPolarHBondContact O-CA 3.31Å
127V93Very high93.6Very high8 Ų864.8 Ų64.85%0.04832%0.319CS..EExtended strand (participates in β ladder)trans-122.9112.1-173-171.60000107.9T102 I103 L129 F137 I149T102-V127 CarbonylContact C-O 3.56Å; T102-V127 WeakPolarHBondContact CA-O 3.2Å; T102-V127 WeakPolarHBondContact CB-O 3.49Å; I103-V127 PolarHBondContact N-O 3.46Å; I103-V127 PolarHBondContact O-N 2.71Å; V127-L129 HydrophobicContact CG1-CD2 3.86Å; V127-F137 HydrophobicContact CB-CZ 4.17Å; V127-F137 HydrophobicContact CG1-CZ 3.75Å; V127-F137 HydrophobicContact CG2-CE1 3.96Å; V127-F137 HydrophobicContact CG2-CE2 3.76Å; V127-F137 HydrophobicContact CG2-CZ 3.28Å; V127-I149 HydrophobicContact CG2-CD1 4.41Å
128P93.4Very high94.1Very high99 Ų9971 Ų7164%0.64334%0.337SS*.EExtended strand (participates in β ladder)trans-71.9138.9168.331-32.5000109.6
129L92.5Very high94.3Very high6 Ų668.9 Ų68.93%0.03133%0.327CS..  trans-121.8109.6-178.8-62.7-176.9000111.1F99 P100 D101 I103 V127 H135 I151 R161F99-L129 HydrophobicContact CE1-CB 3.79Å; F99-L129 HydrophobicContact CE1-CD1 4.38Å; F99-L129 HydrophobicContact CZ-CB 4.28Å; P100-L129 HydrophobicContact CG-CD1 4.27Å; D101-L129 PolarHBondContact O-N 2.04Å; I103-L129 HydrophobicContact CD1-CD1 3.63Å; I103-L129 HydrophobicContact CG1-CD1 3.68Å; I103-L129 HydrophobicContact CG1-CG 4.48Å; V127-L129 HydrophobicContact CG1-CD2 3.86Å; L129-H135 WeakPolarHBondContact CD2-NE2 3.3Å; L129-I151 HydrophobicContact CD1-CD1 4.06Å; L129-I151 HydrophobicContact CD1-CG1 3.97Å; L129-I151 HydrophobicContact CD2-CD1 3.89Å; L129-R161 PolarHBondContact O-NH1 3.03Å
130E89.8Confident94.2Very high164 Ų16465.9 Ų65.977%0.76633%0.329SS*.SBendtrans-85.9-42.7172.5-62.6-176.2169.300110.8R161E130-R161 VanDerWaalsContact O-CD 3.3Å; E130-R161 WeakPolarHBondContact O-CD 3.46Å; E130-R161 VanDerWaalsContact O-CG 3.25Å; E130-R161 WeakPolarHBondContact O-CG 3.36Å; E130-R161 PolarHBondContact O-NH1 2.74Å
131T92.7Very high93.9Very high60 Ų6070.5 Ų70.537%0.36836%0.357SS..SBendtrans-142.5165.7-174.562.50000112.2Q160T131-Q160 CarbonylContact C-O 3.6Å; T131-Q160 WeakPolarHBondContact CA-O 3.36Å; T131-Q160 HydrophobicContact CG2-CB 3.93Å
132K93.5Very high93.7Very high70 Ų7073.7 Ų73.730%0.30437%0.373SS..SBendtrans-65.5146173.375-169.5-175.6-166.70111.4F99 I151 C153 G159 Q160F99-K132 HydrophobicContact CE2-CB 4.1Å; K132-I151 HydrophobicContact CB-CG2 4.43Å; K132-C153 VanDerWaalsContact CD-SG 3.53Å; K132-G159 VanDerWaalsContact CE-O 3.29Å; K132-G159 WeakPolarHBondContact CE-O 3.47Å; K132-G159 PolarHBondContact NZ-O 3.25Å; K132-Q160 PolarHBondContact N-O 2.84Å
133G94.3Very high93.6Very high28 Ų2872 Ų7229%0.28936%0.364SS..EExtended strand (participates in β ladder)trans161.1-168.5-17800000114.2E150 I151G133-E150 WeakPolarHBondContact O-CA 3.47Å; G133-I151 PolarHBondContact N-O 2.97Å; G133-I151 VanDerWaalsContact N-O 3.15Å; G133-I151 PolarHBondContact O-N 2.72Å
134K96.1Very high93.5Very high136 Ų13675 Ų7559%0.59138%0.377SS*.EExtended strand (participates in β ladder)trans-105.8134.9177.6-62-177.6-168.2-1010110.5I149 E150K134-I149 CarbonylContact C-O 3.24Å; K134-I149 WeakPolarHBondContact CA-O 3.25Å; K134-E150 WeakPolarHBondContact CE-OE1 3.36Å; K134-E150 HydrophobicContact CG-CB 4.26Å; K134-E150 HydrophobicContact CG-CG 4.13Å; K134-E150 IonicContact NZ-OE1 3.96Å; K134-E150 PolarHBondContact NZ-OE1 3.13Å; K134-E150 IonicContact NZ-OE2 2.71Å; K134-E150 PolarHBondContact NZ-OE2 2.74Å
135H94.9Very high93.6Very high53 Ų5369 Ų6925%0.24536%0.355CS..EExtended strand (participates in β ladder)trans-127.8126.6175.4-55.5-103.1000109.3L129 F137 H148 I149L129-H135 WeakPolarHBondContact CD2-NE2 3.3Å; H135-F137 HydrophobicContact CB-CE2 3.62Å; H135-F137 HydrophobicContact CB-CZ 3.52Å; H135-H148 WeakPolarHBondContact O-CA 3.34Å; H135-I149 PolarHBondContact N-O 3.35Å; H135-I149 PolarHBondContact O-N 2.76Å
136E95.4Very high93.8Very high128 Ų12868.3 Ų68.360%0.59835%0.353SS*.EExtended strand (participates in β ladder)trans-122.3126.8-172.5-49.1-163.2144.200110.3H148E136-H148 VanDerWaalsContact CG-ND1 3.34Å; E136-H148 WeakPolarHBondContact CG-ND1 3.48Å; E136-H148 IonicContact OE1-CE1 3.57Å; E136-H148 PolarHBondContact OE1-CE1 2.87Å; E136-H148 IonicContact OE1-ND1 3.6Å; E136-H148 PolarHBondContact OE1-ND1 2.83Å; E136-H148 IonicContact OE2-CE1 2.67Å; E136-H148 PolarHBondContact OE2-CE1 2.83Å; E136-H148 IonicContact OE2-ND1 2.86Å
137F93.1Very high93.9Very high45 Ų4564.4 Ų64.420%0.19733%0.329CS..EExtended strand (participates in β ladder)trans-125.7122.8-171.2-53.7-75.1000111.4V127 H135 M139 E146 A147 I149V127-F137 HydrophobicContact CB-CZ 4.17Å; V127-F137 HydrophobicContact CG1-CZ 3.75Å; V127-F137 HydrophobicContact CG2-CE1 3.96Å; V127-F137 HydrophobicContact CG2-CE2 3.76Å; V127-F137 HydrophobicContact CG2-CZ 3.28Å; H135-F137 HydrophobicContact CB-CE2 3.62Å; H135-F137 HydrophobicContact CB-CZ 3.52Å; F137-M139 HydrophobicContact CB-CG 4.42Å; F137-E146 WeakPolarHBondContact O-CA 3.07Å; F137-A147 WeakPolarHBondContact CD2-O 3.48Å; F137-A147 PolarHBondContact N-O 2.82Å; F137-A147 PolarHBondContact O-N 2.85Å; F137-I149 HydrophobicContact CD2-CD1 4.45Å; F137-I149 HydrophobicContact CD2-CG1 4.46Å; F137-I149 HydrophobicContact CE2-CD1 3.87Å; F137-I149 HydrophobicContact CE2-CG1 4.06Å
138R95.6Very high94.1Very high204 Ų20465.3 Ų65.377%0.7733%0.333SS*.EExtended strand (participates in β ladder)trans-91.9127.1166.5-66.7-172.7158.81455109.1E146R138-E146 HydrophobicContact CG-CG 4.23Å; R138-E146 IonicContact CZ-OE1 2.69Å; R138-E146 IonicContact NE-OE1 3.34Å; R138-E146 PolarHBondContact NE-OE1 2.94Å; R138-E146 IonicContact NH2-OE1 3.02Å; R138-E146 PolarHBondContact NH2-OE1 2.84Å
139M94Very high94.2Very high5 Ų560.9 Ų60.93%0.02530%0.304CS..EExtended strand (participates in β ladder)trans-124.9135.9-174.8-58.9-169.1-65.300110.9I105 L107 F123 R125 F137 K144 V145 A147I105-M139 HydrophobicContact CD1-CE 4.38Å; I105-M139 HydrophobicContact CD1-SD 4.33Å; L107-M139 HydrophobicContact CD2-CE 4.16Å; F123-M139 HydrophobicContact CB-CB 4.37Å; F123-M139 HydrophobicContact CB-CE 4.07Å; F123-M139 HydrophobicContact CB-SD 3.81Å; F123-M139 HydrophobicContact CD1-CB 3.91Å; F123-M139 HydrophobicContact CD2-CB 4.33Å; F123-M139 HydrophobicContact CE1-CB 4.27Å; F123-M139 HydrophobicContact CG-CB 3.94Å; F123-M139 HydrophobicContact CG-CE 4.45Å; F123-M139 HydrophobicContact CG-SD 4.39Å; R125-M139 HydrophobicContact CG-CG 4.36Å; R125-M139 HydrophobicContact CG-SD 3.71Å; F137-M139 HydrophobicContact CB-CG 4.42Å; M139-K144 WeakPolarHBondContact O-CA 3.47Å; M139-V145 HydrophobicContact CB-CG1 4Å; M139-V145 HydrophobicContact CE-CG1 3.85Å; M139-V145 PolarHBondContact N-O 2.82Å; M139-V145 PolarHBondContact O-N 2.94Å; M139-A147 HydrophobicContact CE-CB 3.74Å
140G91.1Very high94.4Very high41 Ų4163.7 Ų63.742%0.42332%0.317SS..EExtended strand (participates in β ladder)trans86-179177.500000115.7F123 V143F123-G140 VanDerWaalsContact CE1-CA 3.45Å; G140-V143 CarbonylContact C-O 3.59Å; G140-V143 VanDerWaalsContact CA-O 3.22Å; G140-V143 WeakPolarHBondContact CA-O 3.49Å
141V89.3Confident94.7Very high100 Ų10056 Ų5661%0.60628%0.281SS*.SBendtrans-137.5-63.8-174179.80000110.1V143 K144V141-V143 PolarHBondContact N-O 2.67Å; V141-V143 VanDerWaalsContact N-O 3.07Å; V141-K144 WeakPolarHBondContact O-CE 3.43Å; V141-K144 WeakPolarHBondContact O-CG 3.45Å
142D91Very high94.8Very high76 Ų7655.3 Ų55.341%0.40628%0.276SS..SBendtrans-78.3-50.1176.7-53.9-76000111.4
143V94.3Very high94.8Very high14 Ų1453.4 Ų53.49%0.08527%0.272CS..SBendtrans-93.3130.8160.7-176.70000107.1Y29 Q30 N31 I120 A121 G140 V141Y29-V143 HydrophobicContact CD2-CG1 4.24Å; Y29-V143 HydrophobicContact CE2-CG1 3.62Å; Q30-V143 CarbonylContact O-C 3.51Å; Q30-V143 VanDerWaalsContact O-CA 3.32Å; Q30-V143 WeakPolarHBondContact O-CA 3.06Å; N31-V143 HydrophobicContact CB-CG2 4.32Å; I120-V143 HydrophobicContact CG2-CG1 4.13Å; I120-V143 HydrophobicContact CG2-CG2 3.86Å; A121-V143 HydrophobicContact CB-CB 4.31Å; A121-V143 HydrophobicContact CB-CG1 4.12Å; G140-V143 CarbonylContact C-O 3.59Å; G140-V143 VanDerWaalsContact CA-O 3.22Å; G140-V143 WeakPolarHBondContact CA-O 3.49Å; V141-V143 PolarHBondContact N-O 2.67Å; V141-V143 VanDerWaalsContact N-O 3.07Å
144K96.4Very high94.7Very high91 Ų9153.6 Ų53.640%0.39627%0.267SS..EExtended strand (participates in β ladder)trans-123.3150.2179.9-56.5174.9-170.2168.30110.7Y29 Q30 M139 V141Y29-K144 CarbonylContact C-O 3.52Å; Y29-K144 VanDerWaalsContact CA-O 3.29Å; Y29-K144 WeakPolarHBondContact CA-O 3.46Å; Q30-K144 HydrophobicContact CB-CB 4.2Å; Q30-K144 HydrophobicContact CG-CB 4.44Å; Q30-K144 PolarHBondContact N-O 2.89Å; Q30-K144 PolarHBondContact O-N 2.83Å; M139-K144 WeakPolarHBondContact O-CA 3.47Å; V141-K144 WeakPolarHBondContact O-CE 3.43Å; V141-K144 WeakPolarHBondContact O-CG 3.45Å
145V97.2Very high94.5Very high2 Ų255.7 Ų55.71%0.01228%0.277CS..EExtended strand (participates in β ladder)trans-156.9151.6170.465.20000109.9I26 K27 L107 F123 M139I26-V145 HydrophobicContact CG2-CG2 3.7Å; K27-V145 WeakPolarHBondContact O-CG2 3.39Å; L107-V145 HydrophobicContact CD2-CG1 3.91Å; L107-V145 HydrophobicContact CD2-CG2 4.13Å; F123-V145 HydrophobicContact CD2-CG1 3.68Å; F123-V145 HydrophobicContact CE2-CG1 3.55Å; F123-V145 HydrophobicContact CZ-CG1 4.4Å; M139-V145 HydrophobicContact CB-CG1 4Å; M139-V145 HydrophobicContact CE-CG1 3.85Å; M139-V145 PolarHBondContact N-O 2.82Å; M139-V145 PolarHBondContact O-N 2.94Å
146E97.4Very high94.4Very high22 Ų2254.8 Ų54.810%0.10327%0.273CS..EExtended strand (participates in β ladder)trans-107.9135.9172.7-59.8-170.9145.700110.6I26 K27 N28 F137 R138 H148I26-E146 WeakPolarHBondContact CA-O 3.32Å; K27-E146 WeakPolarHBondContact CE-OE2 3.35Å; K27-E146 HydrophobicContact CG-CB 3.96Å; K27-E146 PolarHBondContact N-O 3.47Å; K27-E146 PolarHBondContact O-N 3.46Å; N28-E146 HydrophobicContact CB-CB 4.23Å; N28-E146 HydrophobicContact CB-CG 3.8Å; N28-E146 PolarHBondContact ND2-OE2 3.46Å; F137-E146 WeakPolarHBondContact O-CA 3.07Å; R138-E146 HydrophobicContact CG-CG 4.23Å; R138-E146 IonicContact CZ-OE1 2.69Å; R138-E146 IonicContact NE-OE1 3.34Å; R138-E146 PolarHBondContact NE-OE1 2.94Å; R138-E146 IonicContact NH2-OE1 3.02Å; R138-E146 PolarHBondContact NH2-OE1 2.84Å; E146-H148 IonicContact OE2-NE2 2.87Å
147A96.6Very high94.2Very high1 Ų150.2 Ų50.21%0.00825%0.251CS..EExtended strand (participates in β ladder)trans-123.4125172.600000109.5I26 I105 F137 M139I26-A147 HydrophobicContact CD1-CB 3.62Å; I105-A147 HydrophobicContact CD1-CB 3.89Å; F137-A147 WeakPolarHBondContact CD2-O 3.48Å; F137-A147 PolarHBondContact N-O 2.82Å; F137-A147 PolarHBondContact O-N 2.85Å; M139-A147 HydrophobicContact CE-CB 3.74Å
148H96.9Very high94.2Very high27 Ų2750.4 Ų50.413%0.12525%0.251CS..EExtended strand (participates in β ladder)trans-115129.5179.2-66.5-121.9000107.8Y24 V25 K27 H135 E136 E146Y24-H148 WeakPolarHBondContact CA-O 3.42Å; V25-H148 HydrophobicContact CB-CB 4.36Å; V25-H148 PolarHBondContact N-O 2.9Å; V25-H148 PolarHBondContact O-N 3.43Å; K27-H148 VanDerWaalsContact CE-CD2 3.48Å; K27-H148 WeakPolarHBondContact CE-CD2 3.44Å; K27-H148 WeakPolarHBondContact CE-NE2 3.35Å; K27-H148 PolarHBondContact NZ-CE1 3.37Å; K27-H148 PolarHBondContact NZ-NE2 3.43Å; H135-H148 WeakPolarHBondContact O-CA 3.34Å; E136-H148 VanDerWaalsContact CG-ND1 3.34Å; E136-H148 WeakPolarHBondContact CG-ND1 3.48Å; E136-H148 IonicContact OE1-CE1 3.57Å; E136-H148 PolarHBondContact OE1-CE1 2.87Å; E136-H148 IonicContact OE1-ND1 3.6Å; E136-H148 PolarHBondContact OE1-ND1 2.83Å; E136-H148 IonicContact OE2-CE1 2.67Å; E136-H148 PolarHBondContact OE2-CE1 2.83Å; E136-H148 IonicContact OE2-ND1 2.86Å; E146-H148 IonicContact OE2-NE2 2.87Å
149I96.1Very high94Very high5 Ų540.9 Ų40.93%0.02622%0.216CC..EExtended strand (participates in β ladder)trans-119.9126.5177.7-49.5-177.4000107.8I22 S23 Y24 I103 I105 V127 K134 H135 F137 I151I22-I149 HydrophobicContact CG2-CG2 3.81Å; S23-I149 WeakPolarHBondContact O-CA 3.03Å; Y24-I149 HydrophobicContact CD1-CD1 4.22Å; Y24-I149 HydrophobicContact CD1-CG1 4.03Å; Y24-I149 HydrophobicContact CD1-CG2 4.08Å; Y24-I149 HydrophobicContact CE1-CD1 4.22Å; Y24-I149 HydrophobicContact CE1-CG1 4.43Å; Y24-I149 HydrophobicContact CE1-CG2 4.02Å; I103-I149 HydrophobicContact CD1-CG2 4.03Å; I103-I149 HydrophobicContact CG2-CD1 4.36Å; I105-I149 HydrophobicContact CD1-CD1 4.43Å; I105-I149 HydrophobicContact CG2-CD1 3.81Å; V127-I149 HydrophobicContact CG2-CD1 4.41Å; K134-I149 CarbonylContact C-O 3.24Å; K134-I149 WeakPolarHBondContact CA-O 3.25Å; H135-I149 PolarHBondContact N-O 3.35Å; H135-I149 PolarHBondContact O-N 2.76Å; F137-I149 HydrophobicContact CD2-CD1 4.45Å; F137-I149 HydrophobicContact CD2-CG1 4.46Å; F137-I149 HydrophobicContact CE2-CD1 3.87Å; F137-I149 HydrophobicContact CE2-CG1 4.06Å; I149-I151 HydrophobicContact CG2-CD1 3.95Å
150E96.9Very high93.9Very high65 Ų6547 Ų4730%0.30425%0.245SC..EExtended strand (participates in β ladder)trans-122.2116.3177.7173.1154.1-14400110.3I22 S23 G133 K134 T152I22-E150 WeakPolarHBondContact CA-O 3.14Å; S23-E150 PolarHBondContact N-O 3.37Å; S23-E150 PolarHBondContact O-N 3.02Å; G133-E150 WeakPolarHBondContact O-CA 3.47Å; K134-E150 WeakPolarHBondContact CE-OE1 3.36Å; K134-E150 HydrophobicContact CG-CB 4.26Å; K134-E150 HydrophobicContact CG-CG 4.13Å; K134-E150 IonicContact NZ-OE1 3.96Å; K134-E150 PolarHBondContact NZ-OE1 3.13Å; K134-E150 IonicContact NZ-OE2 2.71Å; K134-E150 PolarHBondContact NZ-OE2 2.74Å; E150-T152 HydrophobicContact CG-CG2 3.81Å
151I95.3Very high94Very high2 Ų248.4 Ų48.41%0.0124%0.237CC..EExtended strand (participates in β ladder)trans-99.7119.2178.1-5688.7000108.2V20 I22 F99 I103 L129 K132 G133 I149V20-I151 HydrophobicContact CG1-CG2 3.5Å; I22-I151 HydrophobicContact CG1-CG1 4.48Å; I22-I151 HydrophobicContact CG1-CG2 4.46Å; I22-I151 HydrophobicContact CG2-CG1 4.27Å; F99-I151 HydrophobicContact CD2-CG2 4.23Å; F99-I151 HydrophobicContact CE2-CG2 3.51Å; F99-I151 HydrophobicContact CZ-CG2 4Å; I103-I151 HydrophobicContact CD1-CG1 4.46Å; L129-I151 HydrophobicContact CD1-CD1 4.06Å; L129-I151 HydrophobicContact CD1-CG1 3.97Å; L129-I151 HydrophobicContact CD2-CD1 3.89Å; K132-I151 HydrophobicContact CB-CG2 4.43Å; G133-I151 PolarHBondContact N-O 2.97Å; G133-I151 VanDerWaalsContact N-O 3.15Å; G133-I151 PolarHBondContact O-N 2.72Å; I149-I151 HydrophobicContact CG2-CD1 3.95Å
152T95.3Very high94.1Very high46 Ų4643.6 Ų43.628%0.28221%0.208SC..EExtended strand (participates in β ladder)trans-130.7155.4-177.7500000110.9N21 E150N21-T152 PolarHBondContact N-O 2.98Å; N21-T152 PolarHBondContact ND2-OG1 2.04Å; N21-T152 PolarHBondContact O-N 2.98Å; N21-T152 PolarHBondContact O-OG1 2.96Å; N21-T152 VanDerWaalsContact O-OG1 3.14Å; E150-T152 HydrophobicContact CG-CG2 3.81Å
153C93.4Very high94Very high30 Ų3044.6 Ų44.620%0.20321%0.21CC..EExtended strand (participates in β ladder)trans-82.5142.4172.4-51.30000109.8K132 Y157 C162K132-C153 VanDerWaalsContact CD-SG 3.53Å; C153-Y157 WeakPolarHBondContact CB-O 3.4Å; C153-C162 WeakPolarHBondContact CA-SG 3.46Å; C153-C162 HydrophobicContact CB-CB 3.66Å; C153-C162 WeakPolarHBondContact CB-SG 3.28Å; C153-C162 PolarHBondContact N-SG 2.92Å; C153-C162 WeakPolarHBondContact SG-CA 3.25Å; C153-C162 WeakPolarHBondContact SG-CB 3.36Å; C153-C162 CovalentContact SG-SG 2.04Å; C153-C162 PolarHBondContact SG-SG 2.98Å
154T93.4Very high93.9Very high32 Ų3246.3 Ų46.320%0.19622%0.22CC..PPolyproline II helixtrans-72.3173.3168.662.80000111.2D19 N21 I95 N156 Y157D19-T154 HydrophobicContact CB-CG2 4.06Å; D19-T154 WeakPolarHBondContact CB-OG1 3.23Å; D19-T154 WeakPolarHBondContact O-CB 3.41Å; D19-T154 VanDerWaalsContact O-CG2 3.23Å; D19-T154 WeakPolarHBondContact O-CG2 3.36Å; D19-T154 PolarHBondContact O-N 3.26Å; D19-T154 VanDerWaalsContact O-N 3.1Å; D19-T154 PolarHBondContact O-OG1 3.02Å; N21-T154 HydrophobicContact CB-CG2 4.03Å; I95-T154 HydrophobicContact CD1-CG2 4.39Å; I95-T154 HydrophobicContact CG2-CG2 4.17Å; T154-N156 PolarHBondContact O-N 2.88Å; T154-Y157 PolarHBondContact O-N 3.37Å; T154-Y157 WeakPolarHBondContact OG1-CD2 3.42Å
155K91.1Very high93.6Very high181 Ų18147.5 Ų47.579%0.78722%0.223SC*.THydrogen-bonded Turntrans-52.9134.1-177.6-174.9173.8-178.2176.60111.3Y157K155-Y157 VanDerWaalsContact C-N 3.27Å; K155-Y157 PolarHBondContact O-N 2.88Å
156N91.7Very high93.3Very high33 Ų3347.5 Ų47.518%0.17622%0.223CC..THydrogen-bonded Turntrans69.53.9-176.9-55.5-12.3000116.3T154 Y158 Y165 C166 T167T154-N156 PolarHBondContact O-N 2.88Å; N156-Y158 WeakPolarHBondContact O-CD2 3.41Å; N156-Y165 HydrophobicContact CB-CD2 4.07Å; N156-Y165 HydrophobicContact CB-CE2 3.55Å; N156-Y165 PolarHBondContact ND2-OH 2.98Å; N156-Y165 WeakPolarHBondContact O-CA 3.22Å; N156-C166 WeakPolarHBondContact CA-O 3.46Å; N156-C166 VanDerWaalsContact CB-O 3.31Å; N156-C166 WeakPolarHBondContact CB-O 3.44Å; N156-C166 PolarHBondContact O-N 2.91Å; N156-T167 PolarHBondContact ND2-OG1 2.83Å
157Y92.7Very high93.1Very high32 Ų3249.2 Ų49.213%0.12524%0.236CC..EExtended strand (participates in β ladder)trans-104.2140.4172-70.8-85.3000112.2T17 D19 C153 T154 K155 C162 Y165T17-Y157 WeakPolarHBondContact O-CE1 3.21Å; T17-Y157 VanDerWaalsContact O-CZ 3.23Å; T17-Y157 PolarHBondContact O-OH 2.89Å; D19-Y157 HydrophobicContact CB-CD2 4.27Å; D19-Y157 HydrophobicContact CB-CE2 3.95Å; C153-Y157 WeakPolarHBondContact CB-O 3.4Å; T154-Y157 PolarHBondContact O-N 3.37Å; T154-Y157 WeakPolarHBondContact OG1-CD2 3.42Å; K155-Y157 VanDerWaalsContact C-N 3.27Å; K155-Y157 PolarHBondContact O-N 2.88Å; Y157-C162 WeakPolarHBondContact CD1-O 3.29Å; Y157-Y165 HydrophobicContact CD1-CD2 4.06Å; Y157-Y165 HydrophobicContact CD2-CD2 4.15Å; Y157-Y165 AromaticContact CE1-CD2 3.66Å; Y157-Y165 HydrophobicContact CE1-CD2 3.66Å; Y157-Y165 HydrophobicContact CE1-CG 4.21Å; Y157-Y165 AromaticContact CE2-CD2 3.79Å; Y157-Y165 HydrophobicContact CE2-CD2 3.79Å; Y157-Y165 HydrophobicContact CE2-CE2 4.12Å; Y157-Y165 HydrophobicContact CG-CD2 4.28Å; Y157-Y165 AromaticContact CZ-CD2 3.51Å
158Y92.4Very high92.8Very high50 Ų5052.4 Ų52.420%0.19626%0.256CS..EExtended strand (participates in β ladder)trans-148.2-175.1-170.9-58-95000110.7N156 C162 E163 V164 C166 C175N156-Y158 WeakPolarHBondContact O-CD2 3.41Å; Y158-C162 CarbonylContact O-C 3.59Å; Y158-C162 WeakPolarHBondContact O-CA 3.2Å; Y158-E163 PolarHBondContact O-N 2.77Å; Y158-E163 VanDerWaalsContact O-N 3.11Å; Y158-V164 PolarHBondContact N-O 3.09Å; Y158-V164 PolarHBondContact O-N 2.82Å; Y158-C166 HydrophobicContact CD2-CB 4.01Å; Y158-C166 HydrophobicContact CE2-CB 3.99Å; Y158-C166 WeakPolarHBondContact CE2-O 2.97Å; Y158-C175 HydrophobicContact CE1-CB 4.43Å; Y158-C175 HydrophobicContact CE2-CB 3.93Å
159G90.9Very high92.5Very high4 Ų455 Ų554%0.04127%0.27CS..SBendtrans91.3-175.8-171.500000111.5K132 E163 N178K132-G159 VanDerWaalsContact CE-O 3.29Å; K132-G159 WeakPolarHBondContact CE-O 3.47Å; K132-G159 PolarHBondContact NZ-O 3.25Å; G159-E163 WeakPolarHBondContact CA-OE2 3.47Å; G159-N178 WeakPolarHBondContact CA-O 3.46Å; G159-N178 PolarHBondContact N-O 2.91Å; G159-N178 VanDerWaalsContact N-O 3.16Å
160Q92.1Very high92.1Very high134 Ų13464.2 Ų64.263%0.62631%0.306SS*.SBendtrans-80.8-23.8-175.7-67.8-172.5-1.500112.9T131 K132 E163T131-Q160 CarbonylContact C-O 3.6Å; T131-Q160 WeakPolarHBondContact CA-O 3.36Å; T131-Q160 HydrophobicContact CG2-CB 3.93Å; K132-Q160 PolarHBondContact N-O 2.84Å; Q160-E163 PolarHBondContact N-OE1 2.88Å; Q160-E163 PolarHBondContact N-OE2 3.34Å; Q160-E163 VanDerWaalsContact N-OE2 3.09Å
161R92.6Very high91.5Very high69 Ų6965.1 Ų65.126%0.2631%0.313SS..SBendtrans-125.921.9-178.8-63.1176.46593.9-5.2111.8F99 D101 L129 E130 E163F99-R161 HydrophobicContact CB-CB 4.2Å; F99-R161 VanDerWaalsContact CB-O 3.31Å; F99-R161 WeakPolarHBondContact CB-O 3.47Å; F99-R161 HydrophobicContact CD1-CB 4.22Å; F99-R161 HydrophobicContact CD1-CG 4.24Å; F99-R161 VanDerWaalsContact CD1-CZ 3.45Å; F99-R161 HydrophobicContact CD2-CB 3.91Å; F99-R161 VanDerWaalsContact CD2-O 3.26Å; F99-R161 WeakPolarHBondContact CD2-O 3.29Å; F99-R161 HydrophobicContact CE1-CG 4.3Å; F99-R161 HydrophobicContact CE2-CB 4.35Å; F99-R161 HydrophobicContact CG-CB 3.84Å; F99-R161 HydrophobicContact CG-CG 4.36Å; F99-R161 HydrophobicContact CZ-CG 4.47Å; D101-R161 IonicContact OD1-CZ 3.67Å; D101-R161 IonicContact OD1-NH1 3.72Å; D101-R161 IonicContact OD1-NH2 3.14Å; D101-R161 PolarHBondContact OD1-NH2 3.18Å; L129-R161 PolarHBondContact O-NH1 3.03Å; E130-R161 VanDerWaalsContact O-CD 3.3Å; E130-R161 WeakPolarHBondContact O-CD 3.46Å; E130-R161 VanDerWaalsContact O-CG 3.25Å; E130-R161 WeakPolarHBondContact O-CG 3.36Å; E130-R161 PolarHBondContact O-NH1 2.74Å; R161-E163 VanDerWaalsContact CA-OE2 3.28Å; R161-E163 WeakPolarHBondContact CA-OE2 3.44Å; R161-E163 PolarHBondContact N-OE2 2.85Å; R161-E163 PolarHBondContact O-N 2.96Å
162C92.9Very high91.2Very high0 Ų067.1 Ų67.10%032%0.324CS..SBendtrans61.525.8-179.2-490000114.1A18 V20 C153 Y157 Y158A18-C162 WeakPolarHBondContact CB-O 3.26Å; V20-C162 HydrophobicContact CG2-CB 3.72Å; C153-C162 WeakPolarHBondContact CA-SG 3.46Å; C153-C162 HydrophobicContact CB-CB 3.66Å; C153-C162 WeakPolarHBondContact CB-SG 3.28Å; C153-C162 PolarHBondContact N-SG 2.92Å; C153-C162 WeakPolarHBondContact SG-CA 3.25Å; C153-C162 WeakPolarHBondContact SG-CB 3.36Å; C153-C162 CovalentContact SG-SG 2.04Å; C153-C162 PolarHBondContact SG-SG 2.98Å; Y157-C162 WeakPolarHBondContact CD1-O 3.29Å; Y158-C162 CarbonylContact O-C 3.59Å; Y158-C162 WeakPolarHBondContact O-CA 3.2Å
163E89.5Confident91Very high96 Ų9666.1 Ų66.145%0.44932%0.315SS..  trans-79.6-15.5-173.872.4-77.6-163.100114.2Y158 G159 Q160 R161Y158-E163 PolarHBondContact O-N 2.77Å; Y158-E163 VanDerWaalsContact O-N 3.11Å; G159-E163 WeakPolarHBondContact CA-OE2 3.47Å; Q160-E163 PolarHBondContact N-OE1 2.88Å; Q160-E163 PolarHBondContact N-OE2 3.34Å; Q160-E163 VanDerWaalsContact N-OE2 3.09Å; R161-E163 VanDerWaalsContact CA-OE2 3.28Å; R161-E163 WeakPolarHBondContact CA-OE2 3.44Å; R161-E163 PolarHBondContact N-OE2 2.85Å; R161-E163 PolarHBondContact O-N 2.96Å
164V90.8Very high91Very high50 Ų5071.5 Ų71.530%0.30334%0.335SS..EExtended strand (participates in β ladder)trans-106.5108.6-176.2-173.70000111Y158 T179Y158-V164 PolarHBondContact N-O 3.09Å; Y158-V164 PolarHBondContact O-N 2.82Å; V164-T179 WeakPolarHBondContact CB-O 3.41Å; V164-T179 WeakPolarHBondContact CG2-O 3.26Å
165Y90.4Very high91.1Very high117 Ų11770.8 Ų70.846%0.45933%0.331SS..EExtended strand (participates in β ladder)trans-83122.7171.6-175.4-99.7000111.8N156 Y157 T167N156-Y165 HydrophobicContact CB-CD2 4.07Å; N156-Y165 HydrophobicContact CB-CE2 3.55Å; N156-Y165 PolarHBondContact ND2-OH 2.98Å; N156-Y165 WeakPolarHBondContact O-CA 3.22Å; Y157-Y165 HydrophobicContact CD1-CD2 4.06Å; Y157-Y165 HydrophobicContact CD2-CD2 4.15Å; Y157-Y165 AromaticContact CE1-CD2 3.66Å; Y157-Y165 HydrophobicContact CE1-CD2 3.66Å; Y157-Y165 HydrophobicContact CE1-CG 4.21Å; Y157-Y165 AromaticContact CE2-CD2 3.79Å; Y157-Y165 HydrophobicContact CE2-CD2 3.79Å; Y157-Y165 HydrophobicContact CE2-CE2 4.12Å; Y157-Y165 HydrophobicContact CG-CD2 4.28Å; Y157-Y165 AromaticContact CZ-CD2 3.51Å; Y165-T167 PolarHBondContact OH-OG1 3.08Å
166C91.2Very high91.2Very high1 Ų164.3 Ų64.31%0.00730%0.304CS..  trans-141.7121.2174.8-175.80000111.2N156 Y158 C175 G180N156-C166 WeakPolarHBondContact CA-O 3.46Å; N156-C166 VanDerWaalsContact CB-O 3.31Å; N156-C166 WeakPolarHBondContact CB-O 3.44Å; N156-C166 PolarHBondContact O-N 2.91Å; Y158-C166 HydrophobicContact CD2-CB 4.01Å; Y158-C166 HydrophobicContact CE2-CB 3.99Å; Y158-C166 WeakPolarHBondContact CE2-O 2.97Å; C166-C175 HydrophobicContact CB-CB 3.78Å; C166-C175 WeakPolarHBondContact CB-SG 3.38Å; C166-C175 PolarHBondContact O-SG 2.93Å; C166-C175 VanDerWaalsContact O-SG 3.37Å; C166-C175 WeakPolarHBondContact SG-CB 3.29Å; C166-C175 CovalentContact SG-SG 2.03Å; C166-C175 PolarHBondContact SG-SG 3Å; C166-G180 VanDerWaalsContact CB-O 3.28Å; C166-G180 WeakPolarHBondContact CB-O 3.31Å
167T92.5Very high91Very high59 Ų5970.5 Ų70.536%0.36233%0.333SS..  trans-101.2126.4164.4-51.40000107.8N156 Y165 W173N156-T167 PolarHBondContact ND2-OG1 2.83Å; Y165-T167 PolarHBondContact OH-OG1 3.08Å; T167-W173 PolarHBondContact O-NE1 2.92Å
168P91.4Very high90.8Very high67 Ų6774.7 Ų74.744%0.43536%0.357SS..  trans-68.4147.8175.129.6-34.6000110.1
169L90.2Very high90.8Very high82 Ų8275.8 Ų75.843%0.42937%0.369SS..BIsolated β-bridgetrans-130.6121.9179.6-170.659.6000110.4N171 L172 W173L169-N171 PolarHBondContact O-N 3.08Å; L169-L172 HydrophobicContact CB-CB 4.45Å; L169-L172 HydrophobicContact CD2-CD1 3.63Å; L169-L172 HydrophobicContact CG-CB 4.43Å; L169-L172 HydrophobicContact CG-CD1 4.04Å; L169-L172 PolarHBondContact O-N 3.3Å; L169-W173 HydrophobicContact CB-CD2 4.12Å; L169-W173 HydrophobicContact CB-CE3 4.48Å; L169-W173 HydrophobicContact CB-CH2 4.14Å; L169-W173 HydrophobicContact CB-CZ2 3.73Å; L169-W173 HydrophobicContact CB-CZ3 4.49Å; L169-W173 HydrophobicContact CD2-CH2 3.48Å; L169-W173 VanDerWaalsContact CD2-CH2 3.48Å; L169-W173 HydrophobicContact CD2-CZ2 3.84Å; L169-W173 HydrophobicContact CD2-CZ3 3.94Å; L169-W173 HydrophobicContact CG-CH2 4.47Å; L169-W173 HydrophobicContact CG-CZ2 4.46Å; L169-W173 PolarHBondContact N-O 2.78Å; L169-W173 PolarHBondContact O-N 2.87Å; L169-W173 VanDerWaalsContact O-O 3.1Å
170Y87.9Confident90.8Very high198 Ų19875.7 Ų75.778%0.77637%0.368SS*.THydrogen-bonded Turntrans-53.3132.7-171.1-175.6-108.7000112.3L172Y170-L172 PolarHBondContact O-N 2.91Å
171N84.5Confident90.8Very high84 Ų8471.7 Ų71.745%0.44936%0.358SS..THydrogen-bonded Turntrans53.515.2-175.4-63.6-12.5000116.6L169 K186L169-N171 PolarHBondContact O-N 3.08Å; N171-K186 WeakPolarHBondContact O-CA 3.45Å
172L87.7Confident90.8Very high44 Ų4473.6 Ų73.623%0.2337%0.365CS..THydrogen-bonded Turntrans-122.6-55.5177.3-66.4175000112.2L169 Y170 S185 K186 A200L169-L172 HydrophobicContact CB-CB 4.45Å; L169-L172 HydrophobicContact CD2-CD1 3.63Å; L169-L172 HydrophobicContact CG-CB 4.43Å; L169-L172 HydrophobicContact CG-CD1 4.04Å; L169-L172 PolarHBondContact O-N 3.3Å; Y170-L172 PolarHBondContact O-N 2.91Å; L172-S185 PolarHBondContact O-N 3.33Å; L172-K186 HydrophobicContact CD2-CD 4.02Å; L172-K186 HydrophobicContact CD2-CG 4.46Å; L172-K186 PolarHBondContact O-N 3.48Å; L172-A200 HydrophobicContact CB-CB 4.11Å; L172-A200 HydrophobicContact CD2-CB 4Å; L172-A200 VanDerWaalsContact O-CB 3.3Å; L172-A200 WeakPolarHBondContact O-CB 3.41Å
173W92.4Very high90.9Very high26 Ų2677.5 Ų77.510%0.09839%0.385CS..EExtended strand (participates in β ladder)trans-153.7152.8173.264.280.6000113.7T167 L169 R182 I183 L195T167-W173 PolarHBondContact O-NE1 2.92Å; L169-W173 HydrophobicContact CB-CD2 4.12Å; L169-W173 HydrophobicContact CB-CE3 4.48Å; L169-W173 HydrophobicContact CB-CH2 4.14Å; L169-W173 HydrophobicContact CB-CZ2 3.73Å; L169-W173 HydrophobicContact CB-CZ3 4.49Å; L169-W173 HydrophobicContact CD2-CH2 3.48Å; L169-W173 VanDerWaalsContact CD2-CH2 3.48Å; L169-W173 HydrophobicContact CD2-CZ2 3.84Å; L169-W173 HydrophobicContact CD2-CZ3 3.94Å; L169-W173 HydrophobicContact CG-CH2 4.47Å; L169-W173 HydrophobicContact CG-CZ2 4.46Å; L169-W173 PolarHBondContact N-O 2.78Å; L169-W173 PolarHBondContact O-N 2.87Å; L169-W173 VanDerWaalsContact O-O 3.1Å; W173-R182 HydrophobicContact CB-CB 4.44Å; W173-R182 HydrophobicContact CG-CB 4.3Å; W173-R182 HydrophobicContact CG-CG 4.36Å; W173-I183 CarbonylContact C-O 3.41Å; W173-I183 WeakPolarHBondContact CA-O 3.3Å; W173-I183 WeakPolarHBondContact CB-O 3.35Å; W173-L195 HydrophobicContact CB-CD2 4.03Å; W173-L195 HydrophobicContact CE3-CD2 4.16Å
174K93.4Very high91.1Very high143 Ų14374.6 Ų74.662%0.62238%0.375SS*.EExtended strand (participates in β ladder)trans-102.2170.3164.6-67.4178.4179.3-174.60109.5R182 I183 S185K174-R182 CarbonylContact O-C 3.57Å; K174-R182 WeakPolarHBondContact O-CA 3.45Å; K174-I183 PolarHBondContact N-O 2.72Å; K174-I183 PolarHBondContact O-N 3.49Å; K174-S185 PolarHBondContact N-OG 2.98Å
175C93.9Very high91.1Very high16 Ų1674.1 Ų74.111%0.10837%0.374CS..EExtended strand (participates in β ladder)trans-104.1136.2170.4-56.30000108.5Y158 C166Y158-C175 HydrophobicContact CE1-CB 4.43Å; Y158-C175 HydrophobicContact CE2-CB 3.93Å; C166-C175 HydrophobicContact CB-CB 3.78Å; C166-C175 WeakPolarHBondContact CB-SG 3.38Å; C166-C175 PolarHBondContact O-SG 2.93Å; C166-C175 VanDerWaalsContact O-SG 3.37Å; C166-C175 WeakPolarHBondContact SG-CB 3.29Å; C166-C175 CovalentContact SG-SG 2.03Å; C166-C175 PolarHBondContact SG-SG 3Å
176D93.3Very high91.2Very high45 Ų4569.6 Ų69.624%0.24136%0.357CS..  trans-65.3129.6168.9179-102.9000110.3N178 T179 G180 A181 I183D176-N178 PolarHBondContact O-N 2.89Å; D176-N178 PolarHBondContact OD1-N 2.82Å; D176-T179 WeakPolarHBondContact CB-OG1 3.37Å; D176-T179 VanDerWaalsContact CG-OG1 3.26Å; D176-T179 WeakPolarHBondContact OD1-CB 3.19Å; D176-T179 PolarHBondContact OD1-N 2.94Å; D176-T179 PolarHBondContact OD1-OG1 2.85Å; D176-G180 VanDerWaalsContact O-CA 3.3Å; D176-G180 WeakPolarHBondContact O-CA 3.46Å; D176-G180 PolarHBondContact O-N 3.06Å; D176-A181 HydrophobicContact CB-CB 4.2Å; D176-A181 PolarHBondContact N-O 3.33Å; D176-I183 HydrophobicContact CB-CD1 3.91Å; D176-I183 HydrophobicContact CB-CG1 4.28Å
177E88.9Confident91.2Very high164 Ų16473.2 Ų73.277%0.76638%0.38SS*.THydrogen-bonded Turntrans-66.4-25.3-170.6-64177.2179.700113.4
178N87.4Confident91.3Very high120 Ų12071.6 Ų71.664%0.64237%0.371SS*.THydrogen-bonded Turntrans-93.6-50.7-178-64.4-74000111.6G159 D176G159-N178 WeakPolarHBondContact CA-O 3.46Å; G159-N178 PolarHBondContact N-O 2.91Å; G159-N178 VanDerWaalsContact N-O 3.16Å; D176-N178 PolarHBondContact O-N 2.89Å; D176-N178 PolarHBondContact OD1-N 2.82Å
179T92.7Very high91.4Very high72 Ų7274.1 Ų74.144%0.44238%0.38SS..THydrogen-bonded Turntrans-99.1-20.3-169.364.50000114.2V164 D176 A181V164-T179 WeakPolarHBondContact CB-O 3.41Å; V164-T179 WeakPolarHBondContact CG2-O 3.26Å; D176-T179 WeakPolarHBondContact CB-OG1 3.37Å; D176-T179 VanDerWaalsContact CG-OG1 3.26Å; D176-T179 WeakPolarHBondContact OD1-CB 3.19Å; D176-T179 PolarHBondContact OD1-N 2.94Å; D176-T179 PolarHBondContact OD1-OG1 2.85Å; T179-A181 PolarHBondContact O-N 2.85Å; T179-A181 WeakPolarHBondContact OG1-CB 3.44Å; T179-A181 PolarHBondContact OG1-N 2.79Å
180G91.8Very high91.6Very high2 Ų273.5 Ų73.52%0.02138%0.375CS..  trans743.5-171.400000114.9C166 D176 R182C166-G180 VanDerWaalsContact CB-O 3.28Å; C166-G180 WeakPolarHBondContact CB-O 3.31Å; D176-G180 VanDerWaalsContact O-CA 3.3Å; D176-G180 WeakPolarHBondContact O-CA 3.46Å; D176-G180 PolarHBondContact O-N 3.06Å; G180-R182 PolarHBondContact O-N 3.1Å
181A91.7Very high91.9Very high50 Ų5065.3 Ų65.341%0.41335%0.35SS..  trans-56.7134.317600000110.2D176 T179 I183D176-A181 HydrophobicContact CB-CB 4.2Å; D176-A181 PolarHBondContact N-O 3.33Å; T179-A181 PolarHBondContact O-N 2.85Å; T179-A181 WeakPolarHBondContact OG1-CB 3.44Å; T179-A181 PolarHBondContact OG1-N 2.79Å; A181-I183 PolarHBondContact O-N 3.26Å
182R93.2Very high92.4Very high110 Ų11067.8 Ų67.842%0.41536%0.357SS..EExtended strand (participates in β ladder)trans-68.3124.3174.3-66.9-179.2-168.3168.44108.7W173 K174 G180 L195 S197W173-R182 HydrophobicContact CB-CB 4.44Å; W173-R182 HydrophobicContact CG-CB 4.3Å; W173-R182 HydrophobicContact CG-CG 4.36Å; K174-R182 CarbonylContact O-C 3.57Å; K174-R182 WeakPolarHBondContact O-CA 3.45Å; G180-R182 PolarHBondContact O-N 3.1Å; R182-L195 HydrophobicContact CB-CD1 3.64Å; R182-L195 WeakPolarHBondContact O-CD1 3.42Å; R182-S197 PolarHBondContact NH1-O 2.92Å
183I93.3Very high92.7Very high82 Ų8267 Ų6742%0.42136%0.355SS..EExtended strand (participates in β ladder)trans-102.9112.5176.2-59.2176.4000108.3W173 K174 D176 A181 S185W173-I183 CarbonylContact C-O 3.41Å; W173-I183 WeakPolarHBondContact CA-O 3.3Å; W173-I183 WeakPolarHBondContact CB-O 3.35Å; K174-I183 PolarHBondContact N-O 2.72Å; K174-I183 PolarHBondContact O-N 3.49Å; D176-I183 HydrophobicContact CB-CD1 3.91Å; D176-I183 HydrophobicContact CB-CG1 4.28Å; A181-I183 PolarHBondContact O-N 3.26Å; I183-S185 PolarHBondContact O-N 2.78Å; I183-S185 PolarHBondContact O-OG 2.88Å
184C93.9Very high92.8Very high34 Ų3467.9 Ų67.923%0.2336%0.363CS..EExtended strand (participates in β ladder)trans-56.9122.6179.5-152.70000110.8C193 V194 L195C184-C193 HydrophobicContact CB-CB 3.72Å; C184-C193 WeakPolarHBondContact CB-SG 2.95Å; C184-C193 VanDerWaalsContact SG-CA 3.59Å; C184-C193 WeakPolarHBondContact SG-CB 3.42Å; C184-C193 CovalentContact SG-SG 2.03Å; C184-C193 PolarHBondContact SG-SG 2.83Å; C184-V194 VanDerWaalsContact SG-C 3.56Å; C184-V194 PolarHBondContact SG-N 3.23Å; C184-L195 HydrophobicContact CB-CD1 4.26Å; C184-L195 HydrophobicContact CB-CD2 4.2Å; C184-L195 HydrophobicContact CB-CG 3.83Å
185S91.7Very high92.7Very high41 Ų4164 Ų6429%0.28735%0.349SS..  trans-128.112.1-170.8-60.40000113.5L172 K174 I183L172-S185 PolarHBondContact O-N 3.33Å; K174-S185 PolarHBondContact N-OG 2.98Å; I183-S185 PolarHBondContact O-N 2.78Å; I183-S185 PolarHBondContact O-OG 2.88Å
186K91.3Very high92.3Very high22 Ų2265.6 Ų65.610%0.09636%0.359CS..  trans-73.1130.5175.5-164.2172.8-170.1166.70110.6N171 L172 C188 C193 A200 E211 F212N171-K186 WeakPolarHBondContact O-CA 3.45Å; L172-K186 HydrophobicContact CD2-CD 4.02Å; L172-K186 HydrophobicContact CD2-CG 4.46Å; L172-K186 PolarHBondContact O-N 3.48Å; K186-C188 PolarHBondContact O-N 2.9Å; K186-C188 PolarHBondContact O-SG 3.01Å; K186-C193 VanDerWaalsContact CB-SG 3.59Å; K186-C193 PolarHBondContact N-SG 2.89Å; K186-A200 HydrophobicContact CB-CB 4.17Å; K186-A200 WeakPolarHBondContact CD-O 3.37Å; K186-E211 WeakPolarHBondContact CE-OE1 3.38Å; K186-E211 VanDerWaalsContact NZ-CG 3.3Å; K186-E211 IonicContact NZ-OE1 3.17Å; K186-E211 PolarHBondContact NZ-OE1 2.82Å; K186-F212 HydrophobicContact CD-CE1 4.32Å; K186-F212 VanDerWaalsContact CE-CE1 3.43Å; K186-F212 HydrophobicContact CG-CD1 4.17Å; K186-F212 HydrophobicContact CG-CE1 3.91Å
187P92.3Very high91.6Very high76 Ų7668.6 Ų68.649%0.49438%0.383SS..  trans-78.486.2-174.730.5-35.4000111.9F212P187-F212 HydrophobicContact CG-CD1 3.92Å; P187-F212 HydrophobicContact CG-CE1 4.01Å; P187-F212 WeakPolarHBondContact O-CB 3.26Å; P187-F212 WeakPolarHBondContact O-CD1 3.4Å
188C93.6Very high91.3Very high26 Ų2666 Ų6618%0.17638%0.379CS..  trans-85119.5175-47.70000110.2K186 G191 C193 C202K186-C188 PolarHBondContact O-N 2.9Å; K186-C188 PolarHBondContact O-SG 3.01Å; C188-G191 WeakPolarHBondContact CB-O 3.42Å; C188-C193 VanDerWaalsContact SG-CA 3.59Å; C188-C202 WeakPolarHBondContact CA-SG 3.49Å; C188-C202 HydrophobicContact CB-CB 3.73Å; C188-C202 WeakPolarHBondContact CB-SG 3.07Å; C188-C202 WeakPolarHBondContact SG-CA 3.18Å; C188-C202 WeakPolarHBondContact SG-CB 3.36Å; C188-C202 CovalentContact SG-SG 2.03Å; C188-C202 PolarHBondContact SG-SG 3.06Å
189L94.4Very high91.2Very high119 Ų11962.1 Ų62.162%0.62336%0.361SS*.SBendtrans-77.9-54.3-177-77.5152.8000112.1F212 Q214L189-F212 PolarHBondContact N-O 2.69Å; L189-Q214 HydrophobicContact CD1-CB 3.68Å
190H94.8Very high91.2Very high69 Ų6958.9 Ų58.932%0.31934%0.341SS..SBendtrans-120.461.5177.4-49.998.4000109.8C204 T205 W208 C213H190-C204 WeakPolarHBondContact O-CA 3.33Å; H190-T205 PolarHBondContact O-N 2.87Å; H190-T205 PolarHBondContact O-OG1 3.23Å; H190-W208 HydrophobicContact CB-CB 3.97Å; H190-W208 HydrophobicContact CB-CD2 3.58Å; H190-W208 HydrophobicContact CB-CE3 4.15Å; H190-W208 HydrophobicContact CB-CG 3.46Å; H190-W208 VanDerWaalsContact CB-CG 3.46Å; H190-W208 AromaticContact CD2-CE2 3.85Å; H190-W208 AromaticContact CD2-CZ2 3.86Å; H190-W208 AromaticContact CE1-CE3 3.83Å; H190-W208 AromaticContact CE1-CH2 3.35Å; H190-W208 WeakPolarHBondContact CE1-CH2 3.45Å; H190-W208 AromaticContact CE1-CZ2 3.75Å; H190-W208 AromaticContact CE1-CZ3 3.4Å; H190-W208 WeakPolarHBondContact CE1-CZ3 3.05Å; H190-W208 AromaticContact CG-CD2 3.5Å; H190-W208 VanDerWaalsContact CG-CD2 3.5Å; H190-W208 AromaticContact CG-CE2 3.57Å; H190-W208 AromaticContact CG-CE3 3.77Å; H190-W208 AromaticContact CG-CG 3.96Å; H190-W208 AromaticContact CG-CZ2 3.92Å; H190-W208 AromaticContact ND1-CD2 3.49Å; H190-W208 AromaticContact ND1-CE2 3.78Å; H190-W208 AromaticContact ND1-CE3 3.22Å; H190-W208 AromaticContact ND1-CH2 3.63Å; H190-W208 AromaticContact ND1-CZ2 3.86Å; H190-W208 AromaticContact ND1-CZ3 3.31Å; H190-W208 VanDerWaalsContact ND1-CZ3 3.31Å; H190-W208 WeakPolarHBondContact ND1-CZ3 3.12Å; H190-W208 AromaticContact NE2-CH2 3.77Å; H190-W208 AromaticContact NE2-CZ2 3.76Å; H190-C213 HydrophobicContact CB-CB 4.28Å; H190-C213 WeakPolarHBondContact CB-O 2.98Å; H190-C213 PolarHBondContact N-O 2.7Å; H190-C213 PolarHBondContact ND1-O 2.8Å; H190-C213 WeakPolarHBondContact O-CB 3.43Å
191G94.1Very high91.2Very high26 Ų2662.6 Ų62.627%0.26836%0.359SS..EExtended strand (participates in β ladder)trans179.1175.8-175.500000113.2C188 E203C188-G191 WeakPolarHBondContact CB-O 3.42Å; G191-E203 CarbonylContact C-O 3.46Å; G191-E203 WeakPolarHBondContact CA-O 3.32Å
192K95.1Very high91.4Very high136 Ų13661.1 Ų61.159%0.59135%0.346SS*.EExtended strand (participates in β ladder)trans-104.2135.9179.1-175.3-178.1176-172.20110.5V194 C202 E203K192-V194 HydrophobicContact CD-CG2 4.33Å; K192-V194 HydrophobicContact CG-CG2 4.25Å; K192-V194 PolarHBondContact O-N 3.21Å; K192-C202 WeakPolarHBondContact O-CA 3.09Å; K192-E203 PolarHBondContact N-O 2.96Å; K192-E203 PolarHBondContact O-N 3.26Å
193C94.2Very high91.4Very high28 Ų2861.6 Ų61.619%0.18935%0.353CS..EExtended strand (participates in β ladder)trans-72121.7168.2-167.10000109.3C184 K186 C188C184-C193 HydrophobicContact CB-CB 3.72Å; C184-C193 WeakPolarHBondContact CB-SG 2.95Å; C184-C193 VanDerWaalsContact SG-CA 3.59Å; C184-C193 WeakPolarHBondContact SG-CB 3.42Å; C184-C193 CovalentContact SG-SG 2.03Å; C184-C193 PolarHBondContact SG-SG 2.83Å; K186-C193 VanDerWaalsContact CB-SG 3.59Å; K186-C193 PolarHBondContact N-SG 2.89Å; C188-C193 VanDerWaalsContact SG-CA 3.59Å
194V93.5Very high91.6Very high44 Ų4459.8 Ų59.827%0.26735%0.347SS..EExtended strand (participates in β ladder)trans-122.9133.7177.6-178.40000109.6C184 K192 I201 E203C184-V194 VanDerWaalsContact SG-C 3.56Å; C184-V194 PolarHBondContact SG-N 3.23Å; K192-V194 HydrophobicContact CD-CG2 4.33Å; K192-V194 HydrophobicContact CG-CG2 4.25Å; K192-V194 PolarHBondContact O-N 3.21Å; V194-I201 HydrophobicContact CB-CG1 4.14Å; V194-I201 PolarHBondContact N-O 3.09Å; V194-I201 WeakPolarHBondContact O-CG1 3.26Å; V194-I201 PolarHBondContact O-N 3.06Å; V194-E203 HydrophobicContact CG2-CB 3.93Å
195L91.1Very high91.6Very high63 Ų6361.7 Ų61.733%0.3336%0.358SS..EExtended strand (participates in β ladder)trans-85.2136.4174.4-70.2167.4000110.7W173 R182 C184 A200W173-L195 HydrophobicContact CB-CD2 4.03Å; W173-L195 HydrophobicContact CE3-CD2 4.16Å; R182-L195 HydrophobicContact CB-CD1 3.64Å; R182-L195 WeakPolarHBondContact O-CD1 3.42Å; C184-L195 HydrophobicContact CB-CD1 4.26Å; C184-L195 HydrophobicContact CB-CD2 4.2Å; C184-L195 HydrophobicContact CB-CG 3.83Å; L195-A200 HydrophobicContact CD2-CB 4.08Å
196T85.9Confident91.5Very high49 Ų4965.5 Ų65.530%0.30137%0.374SS..  trans-100.8-177.2165.181.40000109.1T198 S199 I201T196-T198 PolarHBondContact O-N 2.82Å; T196-T198 PolarHBondContact OG1-N 3.04Å; T196-S199 PolarHBondContact N-O 2.85Å; T196-S199 PolarHBondContact OG1-N 2.86Å; T196-S199 PolarHBondContact OG1-O 3.49Å; T196-S199 PolarHBondContact OG1-OG 3.03Å; T196-I201 HydrophobicContact CG2-CD1 4.02Å; T196-I201 HydrophobicContact CG2-CG1 4.06Å; T196-I201 HydrophobicContact CG2-CG2 4.06Å
197S78.9Confident91.5Very high107 Ų10769.2 Ų69.275%0.74840%0.395SS*.SBendtrans-62.3-26.8173.448.40000113.6R182R182-S197 PolarHBondContact NH1-O 2.92Å
198T81.7Confident91.7Very high111 Ų11169.3 Ų69.368%0.68139%0.386SS*.SBendtrans-128.3-12.3-171.456.40000115.1T196T196-T198 PolarHBondContact O-N 2.82Å; T196-T198 PolarHBondContact OG1-N 3.04Å
199S86.9Confident91.6Very high38 Ų3872.4 Ų72.427%0.26640%0.398SS..  trans-147.8171.8-170.4700000113T196T196-S199 PolarHBondContact N-O 2.85Å; T196-S199 PolarHBondContact OG1-N 2.86Å; T196-S199 PolarHBondContact OG1-O 3.49Å; T196-S199 PolarHBondContact OG1-OG 3.03Å
200A90.9Very high91.5Very high3 Ų368.3 Ų68.33%0.02538%0.384CS..EExtended strand (participates in β ladder)trans-110.7133.8161.400000109.7L172 K186 L195L172-A200 HydrophobicContact CB-CB 4.11Å; L172-A200 HydrophobicContact CD2-CB 4Å; L172-A200 VanDerWaalsContact O-CB 3.3Å; L172-A200 WeakPolarHBondContact O-CB 3.41Å; K186-A200 HydrophobicContact CB-CB 4.17Å; K186-A200 WeakPolarHBondContact CD-O 3.37Å; L195-A200 HydrophobicContact CD2-CB 4.08Å
201I92.9Very high91.3Very high80 Ų8070.8 Ų70.841%0.4140%0.396SS..EExtended strand (participates in β ladder)trans-121.7157.9178.462.4172000110.5V194 T196V194-I201 HydrophobicContact CB-CG1 4.14Å; V194-I201 PolarHBondContact N-O 3.09Å; V194-I201 WeakPolarHBondContact O-CG1 3.26Å; V194-I201 PolarHBondContact O-N 3.06Å; T196-I201 HydrophobicContact CG2-CD1 4.02Å; T196-I201 HydrophobicContact CG2-CG1 4.06Å; T196-I201 HydrophobicContact CG2-CG2 4.06Å
202C94.8Very high91.2Very high20 Ų2072.4 Ų72.414%0.13540%0.395CS..EExtended strand (participates in β ladder)trans-100.4117.9169.2-67.10000109.6C188 K192 C204 E211 C213C188-C202 WeakPolarHBondContact CA-SG 3.49Å; C188-C202 HydrophobicContact CB-CB 3.73Å; C188-C202 WeakPolarHBondContact CB-SG 3.07Å; C188-C202 WeakPolarHBondContact SG-CA 3.18Å; C188-C202 WeakPolarHBondContact SG-CB 3.36Å; C188-C202 CovalentContact SG-SG 2.03Å; C188-C202 PolarHBondContact SG-SG 3.06Å; K192-C202 WeakPolarHBondContact O-CA 3.09Å; C202-C204 PolarHBondContact O-N 3.32Å; C202-E211 PolarHBondContact SG-O 2.69Å; C202-C213 VanDerWaalsContact CB-SG 3.52Å
203E95.1Very high91.2Very high119 Ų11965.9 Ų65.956%0.55637%0.367SS*.EExtended strand (participates in β ladder)trans-84.4101.4169.8-179.9177-146.400107.9G191 K192 V194G191-E203 CarbonylContact C-O 3.46Å; G191-E203 WeakPolarHBondContact CA-O 3.32Å; K192-E203 PolarHBondContact N-O 2.96Å; K192-E203 PolarHBondContact O-N 3.26Å; V194-E203 HydrophobicContact CG2-CB 3.93Å
204C95.7Very high91.2Very high44 Ų4468.6 Ų68.630%0.29738%0.377SS..EExtended strand (participates in β ladder)trans-73.9144.9-173.5-54.80000112.7H190 C202 W208 C213H190-C204 WeakPolarHBondContact O-CA 3.33Å; C202-C204 PolarHBondContact O-N 3.32Å; C204-W208 HydrophobicContact CB-CB 4.31Å; C204-W208 VanDerWaalsContact CB-O 3.3Å; C204-W208 WeakPolarHBondContact CB-O 3.44Å; C204-C213 WeakPolarHBondContact CA-SG 3.17Å; C204-C213 HydrophobicContact CB-CB 3.73Å; C204-C213 WeakPolarHBondContact CB-SG 3.18Å; C204-C213 VanDerWaalsContact SG-CA 3.53Å; C204-C213 WeakPolarHBondContact SG-CB 3.22Å; C204-C213 CovalentContact SG-SG 2.04Å; C204-C213 PolarHBondContact SG-SG 2.8Å
205T94.6Very high91.2Very high74 Ų7469.1 Ų69.145%0.45438%0.381SS..PPolyproline II helixtrans-64.7157.2166.349.80000110.6H190 W208H190-T205 PolarHBondContact O-N 2.87Å; H190-T205 PolarHBondContact O-OG1 3.23Å; T205-W208 PolarHBondContact O-N 3.42Å; T205-W208 VanDerWaalsContact O-N 3.12Å
206L89.8Confident91.3Very high121 Ų12169.5 Ų69.563%0.63439%0.387SS*.THydrogen-bonded Turntrans-49145.8172.5-15674.8000110.7W208L206-W208 VanDerWaalsContact C-N 3.28Å; L206-W208 PolarHBondContact O-N 3Å
207D92.2Very high91.3Very high101 Ų10171.6 Ų71.654%0.5440%0.395SS..THydrogen-bonded Turntrans68.36.6-173-51.7-43.6000116.7P216 I217D207-P216 CarbonylContact O-C 3.48Å; D207-P216 WeakPolarHBondContact O-CA 3.25Å; D207-I217 PolarHBondContact O-N 3.07Å
208W94.5Very high91.3Very high78 Ų7872.7 Ų72.730%0.29539%0.388SS..EExtended strand (participates in β ladder)trans-125.7148.7177.8-63.987.7000114.5H190 C204 T205 L206 P216H190-W208 HydrophobicContact CB-CB 3.97Å; H190-W208 HydrophobicContact CB-CD2 3.58Å; H190-W208 HydrophobicContact CB-CE3 4.15Å; H190-W208 HydrophobicContact CB-CG 3.46Å; H190-W208 VanDerWaalsContact CB-CG 3.46Å; H190-W208 AromaticContact CD2-CE2 3.85Å; H190-W208 AromaticContact CD2-CZ2 3.86Å; H190-W208 AromaticContact CE1-CE3 3.83Å; H190-W208 AromaticContact CE1-CH2 3.35Å; H190-W208 WeakPolarHBondContact CE1-CH2 3.45Å; H190-W208 AromaticContact CE1-CZ2 3.75Å; H190-W208 AromaticContact CE1-CZ3 3.4Å; H190-W208 WeakPolarHBondContact CE1-CZ3 3.05Å; H190-W208 AromaticContact CG-CD2 3.5Å; H190-W208 VanDerWaalsContact CG-CD2 3.5Å; H190-W208 AromaticContact CG-CE2 3.57Å; H190-W208 AromaticContact CG-CE3 3.77Å; H190-W208 AromaticContact CG-CG 3.96Å; H190-W208 AromaticContact CG-CZ2 3.92Å; H190-W208 AromaticContact ND1-CD2 3.49Å; H190-W208 AromaticContact ND1-CE2 3.78Å; H190-W208 AromaticContact ND1-CE3 3.22Å; H190-W208 AromaticContact ND1-CH2 3.63Å; H190-W208 AromaticContact ND1-CZ2 3.86Å; H190-W208 AromaticContact ND1-CZ3 3.31Å; H190-W208 VanDerWaalsContact ND1-CZ3 3.31Å; H190-W208 WeakPolarHBondContact ND1-CZ3 3.12Å; H190-W208 AromaticContact NE2-CH2 3.77Å; H190-W208 AromaticContact NE2-CZ2 3.76Å; C204-W208 HydrophobicContact CB-CB 4.31Å; C204-W208 VanDerWaalsContact CB-O 3.3Å; C204-W208 WeakPolarHBondContact CB-O 3.44Å; T205-W208 PolarHBondContact O-N 3.42Å; T205-W208 VanDerWaalsContact O-N 3.12Å; L206-W208 VanDerWaalsContact C-N 3.28Å; L206-W208 PolarHBondContact O-N 3Å; W208-P216 HydrophobicContact CE3-CB 4.22Å; W208-P216 HydrophobicContact CH2-CB 4.28Å; W208-P216 HydrophobicContact CZ3-CB 4.03Å; W208-P216 HydrophobicContact CZ3-CG 4.34Å
209H93.4Very high90.3Very high91 Ų9171.6 Ų71.642%0.42139%0.386SS..EExtended strand (participates in β ladder)trans-150.1-179.4176.978.1105000112.7C213 Q214 T215 I217H209-C213 CarbonylContact O-C 3.56Å; H209-C213 WeakPolarHBondContact O-CA 3.08Å; H209-Q214 PolarHBondContact O-N 3.02Å; H209-T215 PolarHBondContact CD2-O 2.71Å; H209-T215 PolarHBondContact N-O 3.12Å; H209-T215 VanDerWaalsContact NE2-CG2 3.28Å; H209-T215 WeakPolarHBondContact NE2-CG2 3.24Å; H209-T215 PolarHBondContact O-N 2.84Å; H209-I217 HydrophobicContact CB-CG1 4.23Å
210G91.1Very high88.8Confident33 Ų3376.2 Ų76.234%0.3440%0.401SS..SBendtrans97.7163-174.400000112.2F212 C213G210-F212 PolarHBondContact O-N 3.43Å; G210-F212 VanDerWaalsContact O-N 3.11Å; G210-C213 PolarHBondContact O-N 3.02Å
211E90.6Very high87.1Confident120 Ų12082 Ų8256%0.56143%0.43SS*.THydrogen-bonded Turntrans-57.7-29.3-172.9178.6171.1-166.300114.1K186 C202K186-E211 WeakPolarHBondContact CE-OE1 3.38Å; K186-E211 VanDerWaalsContact NZ-CG 3.3Å; K186-E211 IonicContact NZ-OE1 3.17Å; K186-E211 PolarHBondContact NZ-OE1 2.82Å; C202-E211 PolarHBondContact SG-O 2.69Å
212F93.3Very high85.1Confident60 Ų6083.2 Ų83.226%0.26344%0.436SS..THydrogen-bonded Turntrans-115.914.9-179.4-56.7-73.9000111.5K186 P187 L189 G210 Q214K186-F212 HydrophobicContact CD-CE1 4.32Å; K186-F212 VanDerWaalsContact CE-CE1 3.43Å; K186-F212 HydrophobicContact CG-CD1 4.17Å; K186-F212 HydrophobicContact CG-CE1 3.91Å; P187-F212 HydrophobicContact CG-CD1 3.92Å; P187-F212 HydrophobicContact CG-CE1 4.01Å; P187-F212 WeakPolarHBondContact O-CB 3.26Å; P187-F212 WeakPolarHBondContact O-CD1 3.4Å; L189-F212 PolarHBondContact N-O 2.69Å; G210-F212 PolarHBondContact O-N 3.43Å; G210-F212 VanDerWaalsContact O-N 3.11Å; F212-Q214 PolarHBondContact O-N 2.77Å
213C94.9Very high82.9Confident0 Ų086.6 Ų86.60%046%0.46CS..SBendtrans53.241.3-173.5-49.90000113H190 C202 C204 H209 G210H190-C213 HydrophobicContact CB-CB 4.28Å; H190-C213 WeakPolarHBondContact CB-O 2.98Å; H190-C213 PolarHBondContact N-O 2.7Å; H190-C213 PolarHBondContact ND1-O 2.8Å; H190-C213 WeakPolarHBondContact O-CB 3.43Å; C202-C213 VanDerWaalsContact CB-SG 3.52Å; C204-C213 WeakPolarHBondContact CA-SG 3.17Å; C204-C213 HydrophobicContact CB-CB 3.73Å; C204-C213 WeakPolarHBondContact CB-SG 3.18Å; C204-C213 VanDerWaalsContact SG-CA 3.53Å; C204-C213 WeakPolarHBondContact SG-CB 3.22Å; C204-C213 CovalentContact SG-SG 2.04Å; C204-C213 PolarHBondContact SG-SG 2.8Å; H209-C213 CarbonylContact O-C 3.56Å; H209-C213 WeakPolarHBondContact O-CA 3.08Å; G210-C213 PolarHBondContact O-N 3.02Å
214Q94.2Very high80.8Confident84 Ų8486.2 Ų86.239%0.39347%0.466SS..  trans-92.5-15.9-17572.5-87.943.900114.2L189 H209 F212L189-Q214 HydrophobicContact CD1-CB 3.68Å; H209-Q214 PolarHBondContact O-N 3.02Å; F212-Q214 PolarHBondContact O-N 2.77Å
215T93.2Very high79Confident56 Ų5690.2 Ų90.234%0.34448%0.483SS..EExtended strand (participates in β ladder)trans-108.3124.7-172.6-46.40000110.1H209H209-T215 PolarHBondContact CD2-O 2.71Å; H209-T215 PolarHBondContact N-O 3.12Å; H209-T215 VanDerWaalsContact NE2-CG2 3.28Å; H209-T215 WeakPolarHBondContact NE2-CG2 3.24Å; H209-T215 PolarHBondContact O-N 2.84Å
216P91.7Very high77Confident71 Ų7193.5 Ų93.546%0.46150%0.497SS..EExtended strand (participates in β ladder)trans-72.8142.2173.130.9-33.8000110.2D207 W208 E218D207-P216 CarbonylContact O-C 3.48Å; D207-P216 WeakPolarHBondContact O-CA 3.25Å; W208-P216 HydrophobicContact CE3-CB 4.22Å; W208-P216 HydrophobicContact CH2-CB 4.28Å; W208-P216 HydrophobicContact CZ3-CB 4.03Å; W208-P216 HydrophobicContact CZ3-CG 4.34Å; P216-E218 PolarHBondContact O-N 3.1Å
217I87.7Confident75.1Confident92 Ų9291.4 Ų91.447%0.47250%0.497SS..  trans-70.9110174.2-60.7174.2000107.8D207 H209 S219D207-I217 PolarHBondContact O-N 3.07Å; H209-I217 HydrophobicContact CB-CG1 4.23Å; I217-S219 PolarHBondContact O-N 2.81Å; I217-S219 VanDerWaalsContact O-N 3.13Å
218E78.7Confident73.1Confident130 Ų13090.9 Ų90.961%0.60750%0.499SS*.  trans-59.5118.8176.9-73.4-166.5139.900110.9P216 K220P216-E218 PolarHBondContact O-N 3.1Å; E218-K220 HydrophobicContact CB-CD 4.47Å; E218-K220 HydrophobicContact CB-CG 4.47Å; E218-K220 PolarHBondContact O-N 2.68Å; E218-K220 IonicContact OE1-NZ 2.91Å; E218-K220 PolarHBondContact OE1-NZ 2.76Å; E218-K220 WeakPolarHBondContact OE2-CD 3.46Å; E218-K220 VanDerWaalsContact OE2-CE 3.3Å; E218-K220 WeakPolarHBondContact OE2-CE 3.37Å; E218-K220 IonicContact OE2-NZ 2.66Å; E218-K220 PolarHBondContact OE2-NZ 3.41Å
219S59.4Low71Confident89 Ų8995 Ų9562%0.62253%0.527SS*.  trans-70.617.1-172.955.90000115.9I217 I221 I222I217-S219 PolarHBondContact O-N 2.81Å; I217-S219 VanDerWaalsContact O-N 3.13Å; S219-I221 PolarHBondContact O-N 2.87Å; S219-I222 PolarHBondContact O-N 2.94Å; S219-I222 VanDerWaalsContact O-N 3.08Å
220K57.1Low69Low135 Ų13597.9 Ų97.959%0.58754%0.544SS*.THydrogen-bonded Turntrans-60.7-11.8-176.9-72175.2-176.6156.20114.9E218 S223 T224E218-K220 HydrophobicContact CB-CD 4.47Å; E218-K220 HydrophobicContact CB-CG 4.47Å; E218-K220 PolarHBondContact O-N 2.68Å; E218-K220 IonicContact OE1-NZ 2.91Å; E218-K220 PolarHBondContact OE1-NZ 2.76Å; E218-K220 WeakPolarHBondContact OE2-CD 3.46Å; E218-K220 VanDerWaalsContact OE2-CE 3.3Å; E218-K220 WeakPolarHBondContact OE2-CE 3.37Å; E218-K220 IonicContact OE2-NZ 2.66Å; E218-K220 PolarHBondContact OE2-NZ 3.41Å; K220-S223 PolarHBondContact O-OG 3.42Å; K220-T224 PolarHBondContact O-OG1 3.13Å
221I54.2Low66.7Low125 Ų125104.7 Ų104.764%0.64156%0.564SS**THydrogen-bonded Turntrans-85.4-33.6176.9-60.2179.5000111.6S219 S223 T224 I225S219-I221 PolarHBondContact O-N 2.87Å; I221-S223 PolarHBondContact O-N 2.04Å; I221-T224 PolarHBondContact O-N 3.38Å; I221-I225 HydrophobicContact CG2-CD1 3.85Å
222I50.6Low64.5Low105 Ų105105.3 Ų105.354%0.53858%0.576SS.*Hα-helixtrans-71.3-35.1-171.7-64180000111.7S219 T224 L226S219-I222 PolarHBondContact O-N 2.94Å; S219-I222 VanDerWaalsContact O-N 3.08Å; I222-T224 PolarHBondContact O-N 3.03Å; I222-L226 HydrophobicContact CG2-CD1 3.77Å; I222-L226 PolarHBondContact O-N 3Å
223S48.1Very low62Low91 Ų91108.7 Ų108.764%0.63660%0.596SS**Hα-helixtrans-67.4-15.5176.352.30000114.7K220 I221K220-S223 PolarHBondContact O-OG 3.42Å; I221-S223 PolarHBondContact O-N 2.04Å
224T52.6Low59.7Low111 Ų111117.3 Ų117.368%0.68164%0.636SS**Hα-helixtrans-98.8-18.9-175.8-44.60000112.7K220 I221 I222K220-T224 PolarHBondContact O-OG1 3.13Å; I221-T224 PolarHBondContact O-N 3.38Å; I222-T224 PolarHBondContact O-N 3.03Å
225I57.5Low57.1Low128 Ų128119.3 Ų119.366%0.65665%0.654SS**Hα-helixtrans-99.5-27.1-176.6-60.4176.5000111.9I221 A227I221-I225 HydrophobicContact CG2-CD1 3.85Å; I225-A227 VanDerWaalsContact C-N 3.33Å; I225-A227 PolarHBondContact O-N 2.94Å
226L52.3Low54.6Low142 Ų142121.1 Ų121.174%0.74367%0.674SS**SBendtrans-87.19.6-178.9-79.7165.9000115.1I222 P228I222-L226 HydrophobicContact CG2-CD1 3.77Å; I222-L226 PolarHBondContact O-N 3Å; L226-P228 WeakPolarHBondContact O-CD 3.39Å
227A49.9Very low52.1Low77 Ų77129.1 Ų129.164%0.63670%0.695SS**  trans-118.760.7179.100000113.9I225I225-A227 VanDerWaalsContact C-N 3.33Å; I225-A227 PolarHBondContact O-N 2.94Å
228P51.3Low49.8Very low90 Ų90130.5 Ų130.558%0.58471%0.71SS**  trans-73.2127.3163.731.4-31.6000110.2L226 I230L226-P228 WeakPolarHBondContact O-CD 3.39Å; P228-I230 VanDerWaalsContact C-N 3.35Å; P228-I230 HydrophobicContact CG-CG1 4.42Å; P228-I230 PolarHBondContact O-N 3.47Å
229D49.8Very low47.9Very low166 Ų166132.5 Ų132.589%0.88872%0.724SS**  trans-65.888.4171.9-90.9-44.1000111.2K231D229-K231 PolarHBondContact O-N 3.09Å; D229-K231 VanDerWaalsContact O-N 3.13Å
230I49.9Very low46.9Very low151 Ų151136.3 Ų136.377%0.77473%0.732SS**  trans-78.699.2174.7-62.4-178.9000109P228 T232P228-I230 VanDerWaalsContact C-N 3.35Å; P228-I230 HydrophobicContact CG-CG1 4.42Å; P228-I230 PolarHBondContact O-N 3.47Å; I230-T232 PolarHBondContact O-N 2.92Å
231K44.2Very low46.1Very low176 Ų176138 Ų13877%0.76575%0.746SS**  trans-50.8128.5178.7-62.3172-178.3173.70112.4D229 I233D229-K231 PolarHBondContact O-N 3.09Å; D229-K231 VanDerWaalsContact O-N 3.13Å; K231-I233 PolarHBondContact O-N 3.09Å
232T43.7Very low45.3Very low132 Ų132138 Ų13881%0.8175%0.747SS**  trans-69.6114.2162.835.80000110.3I230I230-T232 PolarHBondContact O-N 2.92Å
233I40.2Very low44.9Very low132 Ų132140.5 Ų140.568%0.67776%0.757SS**  trans-114.4111.6170.2-60.8177.6000108.1K231 V235K231-I233 PolarHBondContact O-N 3.09Å; I233-V235 HydrophobicContact CG2-CG2 4.45Å
234H46.9Very low44.4Very low181 Ų181141.5 Ų141.584%0.83876%0.764SS**  trans-123.1152.4166.3-74.4-64.8000109.9
235V40Very low43.8Very low126 Ų126140.2 Ų140.276%0.76476%0.764SS**  trans-120.7136-152.51740000112.7I233I233-V235 HydrophobicContact CG2-CG2 4.45Å
236A40.5Very low42.8Very low94 Ų94145 Ų14578%0.77777%0.774SS**  trans65.6152.717300000115.9
237R38.8Very low42.1Very low238 Ų238145.3 Ų145.390%0.89878%0.776SS**  cis-126.6161.18.4-77.2178174.3156.4-1.4112
238P40.1Very low41.7Very low122 Ų122149.8 Ų149.879%0.79279%0.788SS**  trans-90.4152174.136.6-34.3000113.3
239L38.2Very low41Very low172 Ų172151.8 Ų151.890%0.90179%0.794SS**  trans-155.1160.1145.7-113.7165.9000109.2
240Q39.8Very low40.6Very low169 Ų169152.3 Ų152.379%0.7980%0.795SS**  trans-95.9159-164.8-61.1159.7-30.800112
241I38.8Very low40.1Very low170 Ų170151.1 Ų151.187%0.87279%0.791SS**  -170.3142.9108.2-92.8154.9000111.1
242D38.1Very low39.9Very low125 Ų125149.7 Ų149.767%0.66879%0.791SS**  trans-78.1155.6-175.8172.341.6000113.2
243Q42.1Very low39.6Very low158 Ų158151.6 Ų151.674%0.73879%0.788SS**  161.1114.4119.5-85.1-175.710.800116.4
244S38.9Very low39.6Very low112 Ų112151.7 Ų151.778%0.78379%0.789SS**  trans70.6158.5138.183.10000120.4
245A39Very low39.3Very low83 Ų83150.3 Ų150.369%0.68679%0.788SS**  cis-171.3172.7-30.100000111.1
246R37Very low39.1Very low228 Ų228153.3 Ų153.386%0.8679%0.79SS**  trans87.399.7158.9-49-177.5-161-128.20.6119.1
247N37.1Very low38.9Very low149 Ų149154.2 Ų154.280%0.79779%0.789SS**  42.4134.9115.8-53.3-2000121
248I41.1Very low38.6Very low171 Ų171147.7 Ų147.788%0.87778%0.779SS**  -158.5151.9103.4-98.9154.8000110.6
249N37.1Very low38.6Very low133 Ų133149 Ų14971%0.71179%0.785SS**  trans-81.8160.2-176.2-66.4-66.2000113.7
250L41.5Very low38.3Very low176 Ų176146.1 Ų146.192%0.92178%0.775SS**  -148.7155121.8-137.872.1000112.2
251N38.7Very low38.1Very low127 Ų127143.9 Ų143.968%0.67977%0.773SS**  trans-115.6175.9-168.6-85.5-39.6000113.2
252N41.4Very low37.9Very low145 Ų145140.3 Ų140.378%0.77576%0.762SS**  trans102.1142.2169-56.9-50000115
253K36Very low37.8Very low173 Ų173140.3 Ų140.375%0.75277%0.767SS**  cis-153.8121.6-7.1-119.7-178.3171.6179.90107.9
254I41.4Very low37.4Very low134 Ų134139.2 Ų139.269%0.68777%0.772SS**  76.3126.998.2-69.3-174000116.9
255N40.1Very low37Very low152 Ų152139.8 Ų139.881%0.81377%0.77SS**  trans74.9153.8164.5-67.5-17.3000121.1
256K35.3Very low36.8Very low188 Ų188142.7 Ų142.782%0.81778%0.78SS**  -166.7141.9-52-169.3170.6179.1-177.70107.9
257P37.5Very low36.6Very low114 Ų114137.6 Ų137.674%0.7477%0.774SS**  trans-108.4176.6-170.641.1-36.7000116.2
258S31.3Very low36.3Very low101 Ų101136.2 Ų136.271%0.70677%0.771SS**  trans80124.6152.8-163.60000120.6
259V39.5Very low35.9Very low149 Ų149134.2 Ų134.290%0.90377%0.767SS**  trans-141.8135.6143.7179.50000108.6
260T33.3Very low35.4Very low112 Ų112133.7 Ų133.769%0.68777%0.769SS**  trans-109.9160.6179.6-48.50000110.8
261T35.6Very low35.1Very low122 Ų122131.1 Ų131.175%0.74877%0.766SS**  trans164.6115.5145.6-85.10000108.3
262S34.7Very low34.6Very low94 Ų94130.8 Ų130.866%0.65777%0.769SS**  55.2142.191.5-31.50000114.1
263T34.7Very low34.2Very low125 Ų125132.1 Ų132.177%0.76778%0.775SS**  cis-152.7169.710.5-18.90000107.3
264T35.3Very low33.8Very low136 Ų136131.7 Ų131.783%0.83478%0.78SS**  -177.7151.574.9-580000109.6
265T30.3Very low33.6Very low123 Ų123131 Ų13176%0.75579%0.787SS**  trans-100.7151.8-178.513.80000114.4
266T34.1Very low33.2Very low144 Ų144131.1 Ų131.188%0.88379%0.788SS**  trans-151.5141.4144.25.40000112.4
267T32.1Very low33.4Very low122 Ų122126.5 Ų126.575%0.74878%0.776SS**  trans-88.4-176.2166.859.10000109.5
268T30.8Very low33.2Very low119 Ų119127.5 Ų127.573%0.7377%0.774SS**  cis-148.1-162.210.8-17.40000106.8
269T33.4Very low33.2Very low129 Ų129129.3 Ų129.379%0.79178%0.776SS**  cis-153158.817.1-35.60000109.5
270T27.3Very low32.9Very low123 Ų123133.3 Ų133.376%0.75578%0.775SS**  trans-100.7148.2175.4-41.30000112T272T270-T272 HydrophobicContact CG2-CG2 4.43Å
271S33.6Very low33Very low122 Ų122135.8 Ų135.885%0.85378%0.782SS**  trans-146141.5156.459.30000111.8
272T29.2Very low32.9Very low120 Ų120139.9 Ų139.974%0.73679%0.79SS**  trans-131.9132.5-173.449.20000111T270T270-T272 HydrophobicContact CG2-CG2 4.43Å
273L32.9Very low32.7Very low173 Ų173144 Ų14491%0.90680%0.799SS**  trans-172.3114.2166.6-96.5145.4000105.2
274L28.3Very low32.5Very low163 Ų163147.2 Ų147.285%0.85381%0.807SS**  cis82.980.923-152.6131.8000115.1
275S35.8Very low32.3Very low119 Ų119148.9 Ų148.983%0.83281%0.806SS**  trans-158.6113.4155.959.30000110.6
276D32.1Very low32.1Very low156 Ų156151.3 Ų151.383%0.83481%0.81SS**  trans-101.6-158.2175.1-147.411.7000107.4
277P38.5Very low31.8Very low90 Ų90155.3 Ų155.358%0.58481%0.809SS**  cis-143.3-156.8-13.329.8-2.4000114.4
278I35.3Very low31.8Very low136 Ų136156.4 Ų156.470%0.69781%0.811SS**  trans99.3109147-71.4160.9000120.2
279D30.7Very low31.8Very low138 Ų138160.3 Ų160.374%0.73882%0.817SS**  trans39.4143.5134.6-44.6-24.4000121.8
280R33.7Very low31.6Very low233 Ų233161.3 Ų161.388%0.87982%0.818SS**  cis-148.9125.836.7-69.2171.8174.6-169.2-2.8113.8
281I34.1Very low32Very low164 Ų164161.5 Ų161.584%0.84181%0.814SS**  trans-123.2124.5150.1-66.6178.9000107.2Q283I281-Q283 PolarHBondContact O-N 3.14Å
282K33.4Very low31.8Very low208 Ų208162 Ų16290%0.90481%0.812SS**  trans-75.5110.5174-78.7-174.6174.6-178.10109.6
283Q30.2Very low31.9Very low181 Ų181163.4 Ų163.485%0.84681%0.814SS**  trans-70.9145156.1-66.5-179-8.200109.3I281I281-Q283 PolarHBondContact O-N 3.14Å
284M30.4Very low31.8Very low193 Ų193164.4 Ų164.495%0.95181%0.811SS**  trans-132.577.2156.1-128173.4-179.600109.6
285E31.3Very low31.9Very low171 Ų171163.9 Ų163.980%0.79981%0.807SS**  trans46.795.1142-155.1159.6-159.100119
286M27.1Very low31.6Very low173 Ų173164 Ų16485%0.85280%0.803SS**  trans-6.5141150.2-56.9-177.7-71.800118.7
287R28Very low31.4Very low228 Ų228165.2 Ų165.286%0.8680%0.803SS**  -144.3124.1125.8-168.8166.4-77.2-159.1-3.2113.8
288N30.8Very low31Very low146 Ų146167.3 Ų167.378%0.78181%0.809SS**SBendtrans80.2132.7159.6-79.5-6000122
289K31.7Very low30.6Very low200 Ų200170.4 Ų170.487%0.8781%0.812SS**  trans75.5111.6159-75.9-168166.7-168.50118.6
290D30Very low30.8Very low151 Ų151172.8 Ų172.881%0.80782%0.816SS**  trans-65134.8166.9-42.2-99.2000111.6
291D34.6Very low30.6Very low126 Ų126166.8 Ų166.867%0.67480%0.802SS**  trans-148.1130.2147.3-111.1-41.9000108.8
292T28.9Very low30.4Very low133 Ų133166.7 Ų166.782%0.81680%0.803SS**  trans-104.782-166.245.60000112.8K294T292-K294 PolarHBondContact O-N 3.17Å
293I32.7Very low30.4Very low149 Ų149163 Ų16376%0.76480%0.798SS**  trans-76.4116.8178.2-58.1-180000110.7I295I293-I295 PolarHBondContact O-N 3.07Å
294K29.5Very low30.5Very low194 Ų194163 Ų16384%0.84380%0.797SS**  trans-83.3107.2173.2-70.3-179.6179.7175.50110.8T292 V296T292-K294 PolarHBondContact O-N 3.17Å; K294-V296 PolarHBondContact O-N 3.11Å
295I31.9Very low30.5Very low152 Ų152160.7 Ų160.778%0.77979%0.789SS**  trans-80.7115.5170.9-57.7177.1000109.2I293I293-I295 PolarHBondContact O-N 3.07Å
296V29.7Very low30.6Very low121 Ų121159.9 Ų159.973%0.73379%0.788SS**  trans-97.8104171.1179.30000108.7K294 L298K294-V296 PolarHBondContact O-N 3.11Å; V296-L298 PolarHBondContact O-N 2.89Å
297Q27.5Very low30.7Very low182 Ų182160.1 Ų160.185%0.8579%0.787SS**  trans-86.7104.6-178.5-174.6175.5-2.900110.8
298L28.8Very low31.1Very low135 Ų135156.4 Ų156.471%0.70779%0.785SS**  trans-90.4134.5169.5-69.7176.3000110.7V296 F300V296-L298 PolarHBondContact O-N 2.89Å; L298-F300 HydrophobicContact CB-CE2 4.41Å
299R27.7Very low31.1Very low200 Ų200158.1 Ų158.176%0.75579%0.788SS**  trans-103.3125.1-179.4-177.1-172.7-168.6133.55.7109D301R299-D301 VanDerWaalsContact CD-OD2 3.32Å; R299-D301 WeakPolarHBondContact CD-OD2 3.47Å; R299-D301 IonicContact CZ-OD1 3.48Å; R299-D301 IonicContact NE-OD1 3.96Å; R299-D301 PolarHBondContact NE-OD1 2.93Å; R299-D301 IonicContact NE-OD2 2.72Å; R299-D301 PolarHBondContact NE-OD2 3.4Å; R299-D301 VanDerWaalsContact NE-OD2 3.14Å; R299-D301 IonicContact NH2-OD1 2.78Å
300F34.7Very low31.1Very low189 Ų189156.8 Ų156.883%0.82978%0.784SS**  trans-109.9103.5169.2-67.7-78.8000108.5L298L298-F300 HydrophobicContact CB-CE2 4.41Å
301D30.1Very low31.2Very low107 Ų107156 Ų15657%0.57278%0.779SS**  trans-87.4154.1167.7-56.2-61.5000109R299R299-D301 VanDerWaalsContact CD-OD2 3.32Å; R299-D301 WeakPolarHBondContact CD-OD2 3.47Å; R299-D301 IonicContact CZ-OD1 3.48Å; R299-D301 IonicContact NE-OD1 3.96Å; R299-D301 PolarHBondContact NE-OD1 2.93Å; R299-D301 IonicContact NE-OD2 2.72Å; R299-D301 PolarHBondContact NE-OD2 3.4Å; R299-D301 VanDerWaalsContact NE-OD2 3.14Å; R299-D301 IonicContact NH2-OD1 2.78Å
302N30.1Very low31.1Very low161 Ų161157 Ų15786%0.86179%0.785SS**  trans66.894.6179.2-59.7-22.4000118.2
303V32.9Very low31.2Very low132 Ų132157.1 Ų157.180%0.878%0.779SS**  trans-128.5124135.8-177.40000108.4
304H33Very low31.2Very low179 Ų179158.1 Ų158.183%0.82979%0.786SS**  trans-138.1152.5167.7-97.832.1000107.1
305N29.8Very low31.1Very low146 Ų146156.6 Ų156.678%0.78178%0.782SS**  trans53.984.9178.9-66.610.7000115.9
306I34.2Very low31.2Very low153 Ų153154.6 Ų154.679%0.78578%0.781SS**  -127.995.9129.2-55.5-179.4000106.7
307Q29.3Very low31.2Very low179 Ų179155.9 Ų155.984%0.83678%0.784SS**  trans-87.7130.3145.7-72.7177.7-91.100105.2
308D34.7Very low31.4Very low150 Ų150154 Ų15480%0.80278%0.78SS**  trans-158164.8154.3-98.8-34.8000109.4
309E30.6Very low31.6Very low182 Ų182153.3 Ų153.385%0.8578%0.781SS**  trans-65.3145-169.2-59.5168.4116.900113.2
310H33.6Very low31.6Very low171 Ų171150.8 Ų150.879%0.79278%0.782SS**  trans-136.2126.4135.7-140.5-81000110D312H310-D312 IonicContact ND1-OD1 2.7Å
311L30.5Very low31.3Very low135 Ų135146.3 Ų146.371%0.70777%0.774SS**  trans-85133.5168.9-148.179.6000107.1I313L311-I313 HydrophobicContact CD2-CD1 4.01Å; L311-I313 HydrophobicContact CD2-CG1 4.15Å
312D32.6Very low31.2Very low147 Ų147145.8 Ų145.879%0.78678%0.779SS**  trans-123.1120163.1-78.9-43.9000107.9H310H310-D312 IonicContact ND1-OD1 2.7Å
313I30.6Very low30.9Very low136 Ų136146.2 Ų146.270%0.69778%0.78SS**  trans-105101.4171.9-63.1174.3000105.9L311 Q315L311-I313 HydrophobicContact CD2-CD1 4.01Å; L311-I313 HydrophobicContact CD2-CG1 4.15Å; I313-Q315 PolarHBondContact O-N 3.34Å
314D32.6Very low30.6Very low169 Ų169145.4 Ų145.490%0.90478%0.776SS**  trans-81.5109.9170.6-125-24.5000108.5
315Q29.3Very low30.2Very low163 Ų163143.6 Ų143.676%0.76278%0.778SS**  trans-114.294.9177.8-177.2177.2-2.700108.9I313I313-Q315 PolarHBondContact O-N 3.34Å
316S33.8Very low30.2Very low110 Ų110141.5 Ų141.577%0.76977%0.77SS**  trans-94.7125.6170.459.30000110.3
317D28.2Very low29.8Very low147 Ų147141.3 Ų141.379%0.78677%0.77SS**  trans-58.7144.1179.2-66.3-71.3000113.3
318D33.2Very low29.8Very low144 Ų144139.1 Ų139.177%0.7777%0.769SS**  -148147129.4-134.6-33000113.4
319T32.7Very low29.5Very low119 Ų119139.1 Ų139.173%0.7377%0.768SS**  trans-37.4162.8177.150.70000119.2
320L27.3Very low29.3Very low148 Ų148137.5 Ų137.578%0.77576%0.763SS**  cis-175.6134.7-15.1169.365.4000111
321S27.7Very low29.1Very low94 Ų94136.8 Ų136.866%0.65777%0.766SS**  trans65.5145.6157.3-69.50000123.6
322S28.4Very low28.9Very low97 Ų97134.5 Ų134.568%0.67876%0.761SS**  trans54.2125.5155.453.10000119
323L23.5Very low28.8Very low170 Ų170133 Ų13389%0.8975%0.753SS**  cis64.774.916-146.5160.3000115.1
324T27.5Very low28.9Very low115 Ų115134.8 Ų134.871%0.70676%0.758SS**  trans-148.2108.5162.88.80000111.1
325T24.5Very low28.9Very low141 Ų141130.9 Ų130.987%0.86574%0.744SS**  trans-76.5123161.9-52.20000108.1
326V30.2Very low29.1Very low102 Ų102130.3 Ų130.362%0.61875%0.746SS**  trans-118106.1-178.3-1780000110.7T328V326-T328 HydrophobicContact CG1-CG2 4.08Å
327N25.1Very low29.1Very low148 Ų148131.7 Ų131.779%0.79175%0.75SS**  trans-83.7119.2153.1-72.3-18.6000107.4
328T30Very low29.3Very low134 Ų134129 Ų12982%0.82274%0.742SS**  trans-90.1141.8168.520.60000110.9V326V326-T328 HydrophobicContact CG1-CG2 4.08Å
329I28.7Very low29.2Very low149 Ų149128 Ų12876%0.76474%0.741SS**  trans-116.1144.6-172.9-67.8172.9000109.6
330I25.2Very low29.3Very low148 Ų148129.8 Ų129.876%0.75975%0.745SS**  trans-6.6119.6159.7-50.7166.5000116.5
331D29.9Very low29.7Very low157 Ų157128.6 Ų128.684%0.8474%0.739SS**  trans-144.2129.2133.5-96.7-39.6000104.9
332S26.9Very low30.1Very low86 Ų86132.7 Ų132.760%0.60175%0.745SS**  cis93.9135.244.8-151.20000113.7
333D30.5Very low30.3Very low117 Ų117133.3 Ų133.363%0.62675%0.749SS**  trans71.9123.8164.7-76.1-84000122.9
334Q32.2Very low30.8Very low173 Ų173133.5 Ų133.581%0.80875%0.746SS**  trans73.9139138.8-6916952.800118.6
335S32.9Very low31.2Very low87 Ų87135.4 Ų135.461%0.60875%0.747SS**  cis-159.1162.68.459.40000112.9
336N32.7Very low31.6Very low150 Ų150134.2 Ų134.280%0.80274%0.74SS**  trans61.6144.4152.2-54.5-27.4000118.2
337V33.1Very low31.8Very low140 Ų140135.5 Ų135.585%0.84875%0.748SS**  cis-135163.315.7175.40000110.4
338S34.1Very low32.4Very low90 Ų90134.8 Ų134.863%0.62974%0.742SS**  trans-86147.9-174.154.80000117.1
339T29.5Very low32.8Very low122 Ų122136.6 Ų136.675%0.74874%0.739SS**  trans46.8137.114058.90000122.3
340I36.4Very low33.2Very low158 Ų158137.9 Ų137.981%0.8174%0.742SS**  -170.3157.1123.4-99.8155.2000111.8
341D35.4Very low33.8Very low122 Ų122136 Ų13665%0.65274%0.741SS**  trans-8.2143.6173.8-68-57.7000121.8
342K35.7Very low34.1Very low181 Ų181136.2 Ų136.279%0.78774%0.743SS**  76.8113.253.8-72.6-172.6-174.6163.10116.5
343S31.9Very low34.6Very low109 Ų109135.7 Ų135.776%0.76275%0.751SS**  trans37.3104.6142.362.60000121.3
344Q35.6Very low34.8Very low174 Ų174136.1 Ų136.181%0.81376%0.758SS**  trans-156.1156147.1-87.8-161.1-63.800108.4
345E34.9Very low35.1Very low156 Ų156136.9 Ų136.973%0.72976%0.763SS**  cis-158.2164.9-27.7-163.6162.9148.500108.4
346T32.2Very low35.2Very low116 Ų116139.6 Ų139.671%0.71277%0.771SS**  trans-91.9174.9-179.1450000114.2
347T34.5Very low35.3Very low128 Ų128140.4 Ų140.479%0.78577%0.774SS**  trans79.7147.1-179.778.40000112.9
348I39.3Very low35.4Very low133 Ų133139.2 Ų139.268%0.68277%0.773SS**  -148.6135.753.1-76.6176.3000112.2
349K38.4Very low35.6Very low173 Ų173138.6 Ų138.675%0.75278%0.78SS**  trans68.7125.2161.6-70.3166.3-171.5175.50117.9
350E35.3Very low35.9Very low176 Ų176141 Ų14182%0.82278%0.783SS**  75.1124.256.9-172.9-178.5-148.700110.5
351S37.9Very low36.2Very low107 Ų107140 Ų14075%0.74878%0.778SS**  cis-135.514732.956.40000116.3
352D37.5Very low36.5Very low163 Ų163139 Ų13987%0.87278%0.781SS**  trans-70.1153.7160.7-82.2-60.1000112.2
353G36.6Very low37.5Very low75 Ų75136.6 Ų136.677%0.77378%0.776SS**  trans-157.650.4-173.600000114.6M355G353-M355 PolarHBondContact O-N 3.24Å
354V35.7Very low38.9Very low126 Ų126135.9 Ų135.976%0.76476%0.764SS**  trans-75.2112.4179.7179.20000111.5
355M37.5Very low40.3Very low188 Ų188134.6 Ų134.693%0.92676%0.758SS**  trans-135.5119.9151.8-85.7-161.5172.500111.1G353G353-M355 PolarHBondContact O-N 3.24Å
356N35.3Very low42.1Very low145 Ų145130.6 Ų130.678%0.77574%0.744SS**  trans-72136.3160.2-67.1-57000109
357L35.5Very low44.2Very low166 Ų166132.1 Ų132.187%0.86974%0.737SS**  -156.9153.7127.6-135.266.5000113
358S34.7Very low46.4Very low116 Ų116130.3 Ų130.381%0.81172%0.722SS**  trans-65.1135.1-177.150.10000114.1
359G37Very low48.7Very low77 Ų77131.9 Ų131.979%0.79472%0.721SS**  trans-147.763.9-17900000114.2
360Q37.4Very low50.9Low173 Ų173128.3 Ų128.381%0.80871%0.709SS**  trans13.1120.9158.6-71179.9-46.100122
361I41.1Very low53.4Low136 Ų136124.2 Ų124.270%0.69769%0.692SS**  85.5140.8121-64.6169.7000119.7
362S43.4Very low55.9Low102 Ų102123.5 Ų123.571%0.71368%0.679SS**  trans4191.5167.564.10000118.7
363N56.9Low58.5Low130 Ų130117.8 Ų117.870%0.69566%0.655SS**  trans-144.113.3166.7-115.9-33.3000115.5T366N363-T366 WeakPolarHBondContact CA-OG1 3.37Å; N363-T366 PolarHBondContact O-OG1 2.68Å; N363-T366 PolarHBondContact OD1-OG1 2.88Å
364N60.1Low61.2Low94 Ų94121.2 Ų121.250%0.50365%0.649SS.*Hα-helixtrans-88.2-33.1179.4-158.330.4000112.6R367 N368N364-R367 PolarHBondContact OD1-NH2 3.07Å; N364-N368 PolarHBondContact O-N 3.26Å
365E66Low63.9Low146 Ų146119.8 Ų119.868%0.68264%0.636SS**Hα-helixtrans-68-47177.7-63.5-175.8143.700111.6R367 N368 Y369E365-R367 VanDerWaalsContact C-N 3.27Å; E365-R367 PolarHBondContact O-N 2.74Å; E365-N368 WeakPolarHBondContact O-CB 3.46Å; E365-N368 PolarHBondContact O-N 3.47Å; E365-Y369 HydrophobicContact CB-CE2 4.37Å; E365-Y369 WeakPolarHBondContact O-CD2 3.27Å; E365-Y369 PolarHBondContact O-N 3.11Å
366T72.1Confident66.6Low72 Ų72115 Ų11544%0.44261%0.613SS.*Hα-helixtrans-51.9-43.5174.328.80000112.3N363 Y369 I370N363-T366 WeakPolarHBondContact CA-OG1 3.37Å; N363-T366 PolarHBondContact O-OG1 2.68Å; N363-T366 PolarHBondContact OD1-OG1 2.88Å; T366-Y369 PolarHBondContact O-N 3.2Å; T366-I370 VanDerWaalsContact O-CG1 3.31Å; T366-I370 WeakPolarHBondContact O-CG1 3.3Å; T366-I370 PolarHBondContact O-N 3.26Å; T366-I370 VanDerWaalsContact O-N 3.08Å
367R75.8Confident69.4Low148 Ų148112.1 Ų112.156%0.55860%0.597SS**Hα-helixtrans-63.3-41.2175.6-176172.461.6172.8-1.8112.6N364 E365 I370 I371N364-R367 PolarHBondContact OD1-NH2 3.07Å; E365-R367 VanDerWaalsContact C-N 3.27Å; E365-R367 PolarHBondContact O-N 2.74Å; R367-I370 PolarHBondContact O-N 3.27Å; R367-I371 HydrophobicContact CG-CD1 4.16Å; R367-I371 WeakPolarHBondContact O-CG1 3.43Å; R367-I371 PolarHBondContact O-N 3.07Å; R367-I371 VanDerWaalsContact O-N 3.11Å
368N81.9Confident72.1Confident90 Ų90106.1 Ų106.148%0.48158%0.575SS.*Hα-helixtrans-66.8-39.9178.1-69.1-8000111.8N364 E365 I370 I371 L372N364-N368 PolarHBondContact O-N 3.26Å; E365-N368 WeakPolarHBondContact O-CB 3.46Å; E365-N368 PolarHBondContact O-N 3.47Å; N368-I370 PolarHBondContact O-N 2.82Å; N368-I371 PolarHBondContact O-N 2.89Å; N368-L372 WeakPolarHBondContact O-CB 3.3Å; N368-L372 PolarHBondContact O-N 3.02Å
369Y86.3Confident75Confident166 Ų166105.4 Ų105.465%0.65156%0.561SS**Hα-helixtrans-62.6-39.6173.8-76.2-66.6000112.7E365 T366 L372 A373E365-Y369 HydrophobicContact CB-CE2 4.37Å; E365-Y369 WeakPolarHBondContact O-CD2 3.27Å; E365-Y369 PolarHBondContact O-N 3.11Å; T366-Y369 PolarHBondContact O-N 3.2Å; Y369-L372 PolarHBondContact O-N 2.64Å; Y369-A373 WeakPolarHBondContact O-CB 3.4Å; Y369-A373 PolarHBondContact O-N 3.12Å
370I85.8Confident77.7Confident98 Ų98106.2 Ų106.250%0.50355%0.547SS..Hα-helixtrans-62.9-45.7176-69.9164000111.1T366 R367 N368 A373 F374T366-I370 VanDerWaalsContact O-CG1 3.31Å; T366-I370 WeakPolarHBondContact O-CG1 3.3Å; T366-I370 PolarHBondContact O-N 3.26Å; T366-I370 VanDerWaalsContact O-N 3.08Å; R367-I370 PolarHBondContact O-N 3.27Å; N368-I370 PolarHBondContact O-N 2.82Å; I370-A373 PolarHBondContact O-N 3.07Å; I370-F374 HydrophobicContact CG2-CD2 3.95Å; I370-F374 HydrophobicContact CG2-CE2 3.64Å; I370-F374 VanDerWaalsContact O-CD2 3.23Å; I370-F374 WeakPolarHBondContact O-CD2 3.46Å; I370-F374 PolarHBondContact O-N 3.26Å; I370-F374 VanDerWaalsContact O-N 3.14Å
371I87.5Confident80.4Confident91 Ų91102.8 Ų102.847%0.46753%0.533SS..Hα-helixtrans-62.8-44.4177.8-66.4165.7000110.9R367 N368 A373 F374 I375R367-I371 HydrophobicContact CG-CD1 4.16Å; R367-I371 WeakPolarHBondContact O-CG1 3.43Å; R367-I371 PolarHBondContact O-N 3.07Å; R367-I371 VanDerWaalsContact O-N 3.11Å; N368-I371 PolarHBondContact O-N 2.89Å; I371-A373 VanDerWaalsContact C-N 3.33Å; I371-A373 PolarHBondContact O-N 2.79Å; I371-F374 PolarHBondContact O-N 3.47Å; I371-I375 HydrophobicContact CG2-CD1 4.15Å; I371-I375 WeakPolarHBondContact O-CG1 3.39Å; I371-I375 PolarHBondContact O-N 3.03Å; I371-I375 VanDerWaalsContact O-N 3.16Å
372L90.6Very high83Confident91 Ų91104.1 Ų104.148%0.47653%0.53SS..Hα-helixtrans-61.7-39.9177.3-176.562000112N368 Y369 I375 I376N368-L372 WeakPolarHBondContact O-CB 3.3Å; N368-L372 PolarHBondContact O-N 3.02Å; Y369-L372 PolarHBondContact O-N 2.64Å; L372-I375 PolarHBondContact O-N 3.32Å; L372-I376 HydrophobicContact CD1-CD1 4.32Å; L372-I376 HydrophobicContact CG-CD1 4Å; L372-I376 WeakPolarHBondContact O-CG1 3.49Å; L372-I376 PolarHBondContact O-N 3.06Å
373A90.8Very high85.5Confident44 Ų44103.9 Ų103.936%0.36452%0.52SS..Hα-helixtrans-61.7-43.517600000112.3Y369 I370 I371 I375 I376 I377Y369-A373 WeakPolarHBondContact O-CB 3.4Å; Y369-A373 PolarHBondContact O-N 3.12Å; I370-A373 PolarHBondContact O-N 3.07Å; I371-A373 VanDerWaalsContact C-N 3.33Å; I371-A373 PolarHBondContact O-N 2.79Å; A373-I375 VanDerWaalsContact C-N 3.34Å; A373-I375 PolarHBondContact O-N 3.33Å; A373-I376 PolarHBondContact O-N 3.11Å; A373-I377 WeakPolarHBondContact O-CB 3.48Å; A373-I377 WeakPolarHBondContact O-CD1 3.43Å; A373-I377 VanDerWaalsContact O-CG1 3.26Å; A373-I377 WeakPolarHBondContact O-CG1 3.18Å; A373-I377 PolarHBondContact O-N 2.77Å
374F93.3Very high87.3Confident146 Ų146102.3 Ų102.364%0.6451%0.511SS*.Hα-helixtrans-62.3-38.9175.4-78.4-63.7000112.9I370 I371 I377 G378I370-F374 HydrophobicContact CG2-CD2 3.95Å; I370-F374 HydrophobicContact CG2-CE2 3.64Å; I370-F374 VanDerWaalsContact O-CD2 3.23Å; I370-F374 WeakPolarHBondContact O-CD2 3.46Å; I370-F374 PolarHBondContact O-N 3.26Å; I370-F374 VanDerWaalsContact O-N 3.14Å; I371-F374 PolarHBondContact O-N 3.47Å; F374-I377 PolarHBondContact O-N 3.03Å; F374-G378 PolarHBondContact O-N 2.93Å
375I92.9Very high88.9Confident97 Ų97100.4 Ų100.450%0.49750%0.504SS..Hα-helixtrans-63.5-45.5175.7-65.7166.7000110.7I371 L372 A373 I377 G378 L379I371-I375 HydrophobicContact CG2-CD1 4.15Å; I371-I375 WeakPolarHBondContact O-CG1 3.39Å; I371-I375 PolarHBondContact O-N 3.03Å; I371-I375 VanDerWaalsContact O-N 3.16Å; L372-I375 PolarHBondContact O-N 3.32Å; A373-I375 VanDerWaalsContact C-N 3.34Å; A373-I375 PolarHBondContact O-N 3.33Å; I375-I377 PolarHBondContact O-N 2.77Å; I375-G378 PolarHBondContact O-N 2.97Å; I375-L379 HydrophobicContact CG2-CD1 4.15Å; I375-L379 WeakPolarHBondContact O-CG 3.23Å; I375-L379 PolarHBondContact O-N 3.41Å
376I94.1Very high90.2Very high86 Ų8696.9 Ų96.944%0.44149%0.493SS..Hα-helixtrans-62.9-42.9178-67.9166.4000111.2L372 A373 L379 L380L372-I376 HydrophobicContact CD1-CD1 4.32Å; L372-I376 HydrophobicContact CG-CD1 4Å; L372-I376 WeakPolarHBondContact O-CG1 3.49Å; L372-I376 PolarHBondContact O-N 3.06Å; A373-I376 PolarHBondContact O-N 3.11Å; I376-L379 PolarHBondContact O-N 3.01Å; I376-L380 HydrophobicContact CG2-CD1 4.06Å; I376-L380 WeakPolarHBondContact O-CG 3.37Å; I376-L380 PolarHBondContact O-N 3.44Å
377I94.2Very high91.3Very high86 Ų8698.9 Ų98.944%0.44150%0.5SS..Hα-helixtrans-63.1-43176.2-69.3164.2000111A373 F374 I375 L380 I381A373-I377 WeakPolarHBondContact O-CB 3.48Å; A373-I377 WeakPolarHBondContact O-CD1 3.43Å; A373-I377 VanDerWaalsContact O-CG1 3.26Å; A373-I377 WeakPolarHBondContact O-CG1 3.18Å; A373-I377 PolarHBondContact O-N 2.77Å; F374-I377 PolarHBondContact O-N 3.03Å; I375-I377 PolarHBondContact O-N 2.77Å; I377-L380 PolarHBondContact O-N 3.2Å; I377-I381 HydrophobicContact CG2-CD1 3.79Å; I377-I381 HydrophobicContact CG2-CG1 4.48Å; I377-I381 WeakPolarHBondContact O-CG1 3.31Å; I377-I381 PolarHBondContact O-N 3.28Å
378G92.3Very high92.1Very high40 Ų4096.6 Ų96.641%0.41250%0.498SS..Hα-helixtrans-60.4-44.7175.800000112.9F374 I375 I381 W382F374-G378 PolarHBondContact O-N 2.93Å; I375-G378 PolarHBondContact O-N 2.97Å; G378-I381 PolarHBondContact O-N 2.98Å; G378-W382 WeakPolarHBondContact O-CB 3.33Å; G378-W382 PolarHBondContact O-N 2.89Å
379L94.5Very high92.6Very high100 Ų10097.6 Ų97.652%0.52450%0.502SS..Hα-helixtrans-64.8-37.6176-69.8172.1000112.5I375 I376 W382 L383I375-L379 HydrophobicContact CG2-CD1 4.15Å; I375-L379 WeakPolarHBondContact O-CG 3.23Å; I375-L379 PolarHBondContact O-N 3.41Å; I376-L379 PolarHBondContact O-N 3.01Å; L379-W382 PolarHBondContact O-N 3.23Å; L379-L383 WeakPolarHBondContact O-CB 3.42Å; L379-L383 WeakPolarHBondContact O-CG 3.23Å; L379-L383 PolarHBondContact O-N 3.08Å
380L95.2Very high92.9Very high94 Ų9491.6 Ų91.649%0.49249%0.491SS..Hα-helixtrans-64.8-45.4174-76.8167000112I376 I377 W382 L383 I384I376-L380 HydrophobicContact CG2-CD1 4.06Å; I376-L380 WeakPolarHBondContact O-CG 3.37Å; I376-L380 PolarHBondContact O-N 3.44Å; I377-L380 PolarHBondContact O-N 3.2Å; L380-W382 VanDerWaalsContact C-N 3.31Å; L380-W382 PolarHBondContact O-N 3.11Å; L380-L383 PolarHBondContact O-N 3.43Å; L380-I384 WeakPolarHBondContact O-CB 3.42Å; L380-I384 WeakPolarHBondContact O-CD1 3.26Å; L380-I384 VanDerWaalsContact O-CG1 3.23Å; L380-I384 WeakPolarHBondContact O-CG1 3.49Å; L380-I384 PolarHBondContact O-N 3.28Å
381I94.2Very high93.2Very high101 Ų10190.6 Ų90.652%0.51849%0.486SS..Hα-helixtrans-61.4-41.6176.3-68.2165.9000110.5I377 G378 S385I377-I381 HydrophobicContact CG2-CD1 3.79Å; I377-I381 HydrophobicContact CG2-CG1 4.48Å; I377-I381 WeakPolarHBondContact O-CG1 3.31Å; I377-I381 PolarHBondContact O-N 3.28Å; G378-I381 PolarHBondContact O-N 2.98Å; I381-S385 WeakPolarHBondContact O-CB 3.48Å; I381-S385 PolarHBondContact O-N 3.38Å; I381-S385 PolarHBondContact O-OG 3.5Å
382W94.5Very high93.3Very high164 Ų16490.3 Ų90.362%0.62149%0.489SS*.Hα-helixtrans-64.5-47.5176.9-175.482.9000112.1G378 L379 L380 I384 S385 V386G378-W382 WeakPolarHBondContact O-CB 3.33Å; G378-W382 PolarHBondContact O-N 2.89Å; L379-W382 PolarHBondContact O-N 3.23Å; L380-W382 VanDerWaalsContact C-N 3.31Å; L380-W382 PolarHBondContact O-N 3.11Å; W382-I384 PolarHBondContact O-N 3.43Å; W382-S385 WeakPolarHBondContact O-CB 3.37Å; W382-S385 PolarHBondContact O-N 3.36Å; W382-S385 VanDerWaalsContact O-N 3.16Å; W382-V386 HydrophobicContact CD2-CG2 4.16Å; W382-V386 HydrophobicContact CE3-CG2 4.42Å; W382-V386 HydrophobicContact CH2-CG2 4.29Å; W382-V386 HydrophobicContact CZ2-CG2 4.01Å; W382-V386 HydrophobicContact CZ3-CG2 4.48Å; W382-V386 WeakPolarHBondContact O-CG2 3.33Å; W382-V386 PolarHBondContact O-N 3.28Å
383L95.9Very high93.2Very high98 Ų9889 Ų8951%0.51349%0.486SS..Hα-helixtrans-59.8-45.1176.1-78.8170.8000112.5L379 L380 S385 V386 L387L379-L383 WeakPolarHBondContact O-CB 3.42Å; L379-L383 WeakPolarHBondContact O-CG 3.23Å; L379-L383 PolarHBondContact O-N 3.08Å; L380-L383 PolarHBondContact O-N 3.43Å; L383-S385 VanDerWaalsContact C-N 3.3Å; L383-S385 PolarHBondContact O-N 3.31Å; L383-V386 PolarHBondContact O-N 3.14Å; L383-L387 WeakPolarHBondContact O-CB 3.46Å; L383-L387 PolarHBondContact O-N 2.94Å
384I95.3Very high93Very high97 Ų9794.5 Ų94.550%0.49750%0.499SS..Hα-helixtrans-60.3-42.6175.5-70.7164.8000110.3L380 W382 L387 I388L380-I384 WeakPolarHBondContact O-CB 3.42Å; L380-I384 WeakPolarHBondContact O-CD1 3.26Å; L380-I384 VanDerWaalsContact O-CG1 3.23Å; L380-I384 WeakPolarHBondContact O-CG1 3.49Å; L380-I384 PolarHBondContact O-N 3.28Å; W382-I384 PolarHBondContact O-N 3.43Å; I384-L387 PolarHBondContact O-N 3.45Å; I384-I388 HydrophobicContact CG2-CD1 3.73Å; I384-I388 HydrophobicContact CG2-CG1 4.43Å; I384-I388 VanDerWaalsContact O-CG1 3.3Å; I384-I388 WeakPolarHBondContact O-CG1 3.41Å; I384-I388 PolarHBondContact O-N 3.16Å
385S92.8Very high92.7Very high53 Ų5395.4 Ų95.437%0.37150%0.498SS..Hα-helixtrans-62.4-47.2178.5-56.10000112I381 W382 L383 L387 I388 I389I381-S385 WeakPolarHBondContact O-CB 3.48Å; I381-S385 PolarHBondContact O-N 3.38Å; I381-S385 PolarHBondContact O-OG 3.5Å; W382-S385 WeakPolarHBondContact O-CB 3.37Å; W382-S385 PolarHBondContact O-N 3.36Å; W382-S385 VanDerWaalsContact O-N 3.16Å; L383-S385 VanDerWaalsContact C-N 3.3Å; L383-S385 PolarHBondContact O-N 3.31Å; S385-L387 VanDerWaalsContact C-N 3.33Å; S385-L387 PolarHBondContact O-N 3.3Å; S385-I388 PolarHBondContact O-N 2.92Å; S385-I389 VanDerWaalsContact O-CG1 3.3Å; S385-I389 WeakPolarHBondContact O-CG1 3.24Å; S385-I389 PolarHBondContact O-N 2.92Å
386V93.9Very high92.2Very high72 Ų7296.5 Ų96.544%0.43650%0.496SS..Hα-helixtrans-61.3-41175.6172.20000111.3W382 L383 I389 G390W382-V386 HydrophobicContact CD2-CG2 4.16Å; W382-V386 HydrophobicContact CE3-CG2 4.42Å; W382-V386 HydrophobicContact CH2-CG2 4.29Å; W382-V386 HydrophobicContact CZ2-CG2 4.01Å; W382-V386 HydrophobicContact CZ3-CG2 4.48Å; W382-V386 WeakPolarHBondContact O-CG2 3.33Å; W382-V386 PolarHBondContact O-N 3.28Å; L383-V386 PolarHBondContact O-N 3.14Å; V386-I389 PolarHBondContact O-N 3.3Å; V386-G390 PolarHBondContact O-N 3.03Å
387L94.6Very high91.6Very high115 Ų115102 Ų10260%0.60251%0.511SS*.Hα-helixtrans-66.7-42.5179-152.6166.7000111.2L383 I384 S385 G390 L391L383-L387 WeakPolarHBondContact O-CB 3.46Å; L383-L387 PolarHBondContact O-N 2.94Å; I384-L387 PolarHBondContact O-N 3.45Å; S385-L387 VanDerWaalsContact C-N 3.33Å; S385-L387 PolarHBondContact O-N 3.3Å; L387-G390 PolarHBondContact O-N 3.39Å; L387-L391 HydrophobicContact CD2-CD1 4.31Å; L387-L391 VanDerWaalsContact O-CB 3.3Å; L387-L391 WeakPolarHBondContact O-CB 3.43Å; L387-L391 PolarHBondContact O-N 3.29Å
388I94.5Very high90.7Very high100 Ų100101.6 Ų101.651%0.51351%0.51SS..Hα-helixtrans-60.9-48.3174-70.6166.4000110.9I384 S385 G390 L391 V392I384-I388 HydrophobicContact CG2-CD1 3.73Å; I384-I388 HydrophobicContact CG2-CG1 4.43Å; I384-I388 VanDerWaalsContact O-CG1 3.3Å; I384-I388 WeakPolarHBondContact O-CG1 3.41Å; I384-I388 PolarHBondContact O-N 3.16Å; S385-I388 PolarHBondContact O-N 2.92Å; I388-G390 VanDerWaalsContact C-N 3.35Å; I388-G390 PolarHBondContact O-N 2.99Å; I388-L391 PolarHBondContact O-N 3.49Å; I388-V392 HydrophobicContact CG2-CG2 4.47Å; I388-V392 WeakPolarHBondContact O-CG2 3.48Å; I388-V392 PolarHBondContact O-N 3.44Å
389I92.3Very high89.5Confident110 Ų110105.5 Ų105.556%0.56452%0.521SS*.Hα-helixtrans-59.5-46.3177.5-68.1163.7000110.5S385 V386 L391 V392 C393S385-I389 VanDerWaalsContact O-CG1 3.3Å; S385-I389 WeakPolarHBondContact O-CG1 3.24Å; S385-I389 PolarHBondContact O-N 2.92Å; V386-I389 PolarHBondContact O-N 3.3Å; I389-L391 VanDerWaalsContact C-N 3.33Å; I389-L391 PolarHBondContact O-N 2.97Å; I389-V392 PolarHBondContact O-N 2.92Å; I389-C393 WeakPolarHBondContact O-CB 3.37Å; I389-C393 PolarHBondContact O-N 3.44Å
390G91.1Very high87.6Confident40 Ų40108.4 Ų108.441%0.41253%0.525SS..Hα-helixtrans-59-41.1175.600000112.9V386 L387 I388 C393 Y394V386-G390 PolarHBondContact O-N 3.03Å; L387-G390 PolarHBondContact O-N 3.39Å; I388-G390 VanDerWaalsContact C-N 3.35Å; I388-G390 PolarHBondContact O-N 2.99Å; G390-C393 PolarHBondContact O-N 3.3Å; G390-Y394 VanDerWaalsContact O-CB 3.24Å; G390-Y394 WeakPolarHBondContact O-CB 3.31Å; G390-Y394 PolarHBondContact O-N 2.94Å
391L91.8Very high85.5Confident77 Ų77112 Ų11240%0.40354%0.537SS..Hα-helixtrans-72.6-35.5179.9-155.4155.9000111.9L387 I388 I389 R395L387-L391 HydrophobicContact CD2-CD1 4.31Å; L387-L391 VanDerWaalsContact O-CB 3.3Å; L387-L391 WeakPolarHBondContact O-CB 3.43Å; L387-L391 PolarHBondContact O-N 3.29Å; I388-L391 PolarHBondContact O-N 3.49Å; I389-L391 VanDerWaalsContact C-N 3.33Å; I389-L391 PolarHBondContact O-N 2.97Å; L391-R395 HydrophobicContact CD2-CG 4.25Å; L391-R395 WeakPolarHBondContact O-CB 3.39Å; L391-R395 WeakPolarHBondContact O-CG 3.3Å; L391-R395 PolarHBondContact O-N 3.37Å
392V89.9Confident83.2Confident86 Ų86112.9 Ų112.952%0.52155%0.547SS..Hα-helixtrans-64-49.5170.41700000110.9I388 I389 Y394 R395 R396I388-V392 HydrophobicContact CG2-CG2 4.47Å; I388-V392 WeakPolarHBondContact O-CG2 3.48Å; I388-V392 PolarHBondContact O-N 3.44Å; I389-V392 PolarHBondContact O-N 2.92Å; V392-Y394 VanDerWaalsContact C-N 3.35Å; V392-Y394 PolarHBondContact O-N 2.92Å; V392-R395 PolarHBondContact O-N 3.45Å; V392-R396 WeakPolarHBondContact O-CB 3.3Å; V392-R396 PolarHBondContact O-N 3.16Å
393C88.8Confident80.7Confident63 Ų63109.3 Ų109.343%0.42655%0.546SS..Hα-helixtrans-63.6-38.1176.6-78.50000112.5I389 G390 R396 R397I389-C393 WeakPolarHBondContact O-CB 3.37Å; I389-C393 PolarHBondContact O-N 3.44Å; G390-C393 PolarHBondContact O-N 3.3Å; C393-R396 PolarHBondContact O-N 2.96Å; C393-R397 VanDerWaalsContact O-CB 3.31Å; C393-R397 WeakPolarHBondContact O-CB 3.4Å; C393-R397 PolarHBondContact O-N 3.37Å
394Y86.4Confident78.1Confident160 Ų160111.6 Ų111.663%0.62756%0.564SS**Hα-helixtrans-62.3-47.3173.8-178.3-98.1000111.8G390 V392 R397 N398G390-Y394 VanDerWaalsContact O-CB 3.24Å; G390-Y394 WeakPolarHBondContact O-CB 3.31Å; G390-Y394 PolarHBondContact O-N 2.94Å; V392-Y394 VanDerWaalsContact C-N 3.35Å; V392-Y394 PolarHBondContact O-N 2.92Å; Y394-R397 PolarHBondContact O-N 3.39Å; Y394-N398 WeakPolarHBondContact O-CB 3.4Å; Y394-N398 PolarHBondContact O-N 2.93Å
395R86.7Confident75.3Confident165 Ų165116.9 Ų116.962%0.62358%0.578SS**Hα-helixtrans-60.9-45.1174-75.9179.2174.1-175.6-0.2111.8L391 V392 R397 N398 N399L391-R395 HydrophobicContact CD2-CG 4.25Å; L391-R395 WeakPolarHBondContact O-CB 3.39Å; L391-R395 WeakPolarHBondContact O-CG 3.3Å; L391-R395 PolarHBondContact O-N 3.37Å; V392-R395 PolarHBondContact O-N 3.45Å; R395-R397 VanDerWaalsContact C-N 3.3Å; R395-R397 PolarHBondContact O-N 3.46Å; R395-N398 PolarHBondContact O-N 3.46Å; R395-N399 WeakPolarHBondContact O-CB 3.35Å; R395-N399 PolarHBondContact O-N 3.45Å; R395-N399 PolarHBondContact O-OD1 2.93Å
396R83.6Confident72.6Confident119 Ų119124.4 Ų124.445%0.44960%0.604SS.*Hα-helixtrans-61.2-36.3176.6-160.8178.2-170.6-161.62.3111.6A44 V392 C393 R400A44-R396 PolarHBondContact O-NH1 3.33Å; A44-R396 VanDerWaalsContact O-NH1 3.07Å; V392-R396 WeakPolarHBondContact O-CB 3.3Å; V392-R396 PolarHBondContact O-N 3.16Å; C393-R396 PolarHBondContact O-N 2.96Å; R396-R400 WeakPolarHBondContact O-CG 3.46Å
397R80Confident69.7Low201 Ų201125 Ų12576%0.75861%0.612SS**Hα-helixtrans-75-36.9175.9-168.1173.4-172167.34113C393 Y394 R395 R400C393-R397 VanDerWaalsContact O-CB 3.31Å; C393-R397 WeakPolarHBondContact O-CB 3.4Å; C393-R397 PolarHBondContact O-N 3.37Å; Y394-R397 PolarHBondContact O-N 3.39Å; R395-R397 VanDerWaalsContact C-N 3.3Å; R395-R397 PolarHBondContact O-N 3.46Å; R397-R400 PolarHBondContact O-N 3.31Å
398N76.3Confident66.7Low78 Ų78124.8 Ų124.842%0.41763%0.626SS.*Hα-helixtrans-73.7-40.1180-155.842.1000111.9Y394 R395 R400 K401Y394-N398 WeakPolarHBondContact O-CB 3.4Å; Y394-N398 PolarHBondContact O-N 2.93Å; R395-N398 PolarHBondContact O-N 3.46Å; N398-R400 PolarHBondContact O-N 3.4Å; N398-K401 WeakPolarHBondContact O-CB 3.42Å; N398-K401 PolarHBondContact O-N 3.43Å
399N67.2Low63.7Low123 Ų123127.2 Ų127.266%0.65864%0.639SS**Hα-helixtrans-63.1-23.3175.9-70.17.6000112.8R395 K401R395-N399 WeakPolarHBondContact O-CB 3.35Å; R395-N399 PolarHBondContact O-N 3.45Å; R395-N399 PolarHBondContact O-OD1 2.93Å; N399-K401 PolarHBondContact O-N 2.88Å
400R55.5Low60.8Low161 Ų161132.2 Ų132.261%0.60865%0.651SS**THydrogen-bonded Turntrans-72.7-3.2173-76.7176.7175.7-175.4-0.1114.5R396 R397 N398R396-R400 WeakPolarHBondContact O-CG 3.46Å; R397-R400 PolarHBondContact O-N 3.31Å; N398-R400 PolarHBondContact O-N 3.4Å
401K50Low58.1Low169 Ų169136.8 Ų136.874%0.73567%0.672SS**THydrogen-bonded Turntrans-89.41.1177.2-67.6-171.9173.6-176.60114.7N398 N399N398-K401 WeakPolarHBondContact O-CB 3.42Å; N398-K401 PolarHBondContact O-N 3.43Å; N399-K401 PolarHBondContact O-N 2.88Å
402V45.4Very low55.2Low120 Ų120139.4 Ų139.473%0.72769%0.686SS**SBendtrans-90.3116.1-175.8-178.20000111.4
403S43.6Very low52.6Low88 Ų88140 Ų14062%0.61569%0.685SS**  trans54.593.7159.3-1710000117.5R405S403-R405 VanDerWaalsContact C-N 3.28Å; S403-R405 PolarHBondContact O-N 2.89Å
404V40.1Very low49.9Very low147 Ų147142.1 Ų142.189%0.89169%0.692SS**  trans-7086.8158.8-178.30000108.9
405R36.8Very low47.5Very low208 Ų208142.4 Ų142.479%0.78569%0.693SS**  trans-70.5129.5172.2-104.5-176.9176-177.6-1.6110.1S403 S407S403-R405 VanDerWaalsContact C-N 3.28Å; S403-R405 PolarHBondContact O-N 2.89Å; R405-S407 VanDerWaalsContact C-N 3.29Å; R405-S407 PolarHBondContact O-N 3.2Å
406K35.3Very low44.8Very low211 Ų211142.4 Ų142.492%0.91770%0.7SS**THydrogen-bonded Turntrans-74.373.8-176.6-61.5177.9179.4179.70111.3
407S33.9Very low42.6Very low85 Ų85141.7 Ų141.759%0.59471%0.711SS**THydrogen-bonded Turntrans-141.5-7.4-173.6-51.60000115.5R405 L409R405-S407 VanDerWaalsContact C-N 3.29Å; R405-S407 PolarHBondContact O-N 3.2Å; S407-L409 VanDerWaalsContact C-N 3.33Å; S407-L409 PolarHBondContact O-N 3.48Å
408A31.9Very low40.2Very low110 Ų110139.2 Ų139.291%0.90971%0.713SS**  trans-81.778172.900000110.3
409L30.8Very low37.9Very low150 Ų150140.9 Ų140.979%0.78573%0.731SS**  trans-134.647.9-175.8-143.8170.8000111S407S407-L409 VanDerWaalsContact C-N 3.33Å; S407-L409 PolarHBondContact O-N 3.48Å
410W31.8Very low36.2Very low216 Ų216145.2 Ų145.282%0.81874%0.739SS**  trans-136.569-174-66.7107000112.3
411T33.3Very low34.9Very low136 Ų136145.2 Ų145.283%0.83475%0.746SS**SBendtrans-130.930.3168.352.30000112.1
412N32.8Very low34Very low132 Ų132142.4 Ų142.471%0.70674%0.743SS**  trans-153.768173.8-141.2-11000113.6
413I35.4Very low33.2Very low99 Ų99145.5 Ų145.551%0.50875%0.747SS.*  trans-82.6107149.6-63.6180000106R125 Y415R125-I413 PolarHBondContact NH1-O 2.82Å; R125-I413 PolarHBondContact NH2-O 2.71Å; I413-Y415 HydrophobicContact CB-CD2 4.39Å; I413-Y415 HydrophobicContact CB-CE2 4.37Å; I413-Y415 HydrophobicContact CG2-CD2 3.74Å; I413-Y415 HydrophobicContact CG2-CE2 3.8Å; I413-Y415 HydrophobicContact CG2-CG 4.27Å; I413-Y415 PolarHBondContact O-N 3.46Å; I413-Y415 VanDerWaalsContact O-N 3.11Å
414N32.1Very low32.8Very low107 Ų107149.7 Ų149.757%0.57275%0.754SS**  trans-71.1101.1164.3-157.141000106.5E416N414-E416 PolarHBondContact O-N 3.38Å
415Y35Very low32.3Very low166 Ų166148.1 Ų148.165%0.65175%0.747SS**  trans-72.787.9173-93.4-83000107.2I413 P417I413-Y415 HydrophobicContact CB-CD2 4.39Å; I413-Y415 HydrophobicContact CB-CE2 4.37Å; I413-Y415 HydrophobicContact CG2-CD2 3.74Å; I413-Y415 HydrophobicContact CG2-CE2 3.8Å; I413-Y415 HydrophobicContact CG2-CG 4.27Å; I413-Y415 PolarHBondContact O-N 3.46Å; I413-Y415 VanDerWaalsContact O-N 3.11Å; Y415-P417 WeakPolarHBondContact O-CD 3.4Å
416E29.3Very low31.8Very low164 Ų164143.7 Ų143.777%0.76675%0.748SS**  trans-58.7118168.7-170.9160.6-130.500107.7N414 N418N414-E416 PolarHBondContact O-N 3.38Å; E416-N418 PolarHBondContact O-N 3.38Å; E416-N418 VanDerWaalsContact O-N 3.08Å
417P37.3Very low31.8Very low104 Ų104142.3 Ų142.368%0.67575%0.745SS**  trans-71.3110.1-177.227.6-32.2000108.7Y415 S419Y415-P417 WeakPolarHBondContact O-CD 3.4Å; P417-S419 PolarHBondContact O-N 3.45Å
418N31.1Very low31.7Very low150 Ų150144.6 Ų144.680%0.80276%0.756SS**  trans-47.2133.9170.1-85.7-35.2000109.9E416 Y420E416-N418 PolarHBondContact O-N 3.38Å; E416-N418 VanDerWaalsContact O-N 3.08Å; N418-Y420 WeakPolarHBondContact O-CD2 3.46Å; N418-Y420 PolarHBondContact O-N 2.84Å
419S28.1Very low31.5Very low112 Ų112146.9 Ų146.978%0.78375%0.747SS**  trans-61.2104.4-161.943.70000113.4P417 Q421P417-S419 PolarHBondContact O-N 3.45Å; S419-Q421 PolarHBondContact O-N 2.7Å
420Y31.6Very low31.7Very low215 Ų215144.1 Ų144.184%0.84374%0.738SS**  trans-69.895.1170.3-80.4-79.8000110.1N418 T422N418-Y420 WeakPolarHBondContact O-CD2 3.46Å; N418-Y420 PolarHBondContact O-N 2.84Å; Y420-T422 PolarHBondContact O-N 3.49Å
421Q26.4Very low31.7Very low161 Ų161142.9 Ų142.975%0.75274%0.739SS**  trans-60.5102.3165.6-73.5-171.4-13.500109.9S419 K423S419-Q421 PolarHBondContact O-N 2.7Å; Q421-K423 VanDerWaalsContact C-N 3.28Å; Q421-K423 PolarHBondContact O-N 2.94Å
422T32.7Very low31.4Very low109 Ų109142.2 Ų142.267%0.66973%0.729SS**  trans-67.586.7166.445.90000109.7Y420 F424Y420-T422 PolarHBondContact O-N 3.49Å; T422-F424 HydrophobicContact CG2-CE2 4.47Å; T422-F424 PolarHBondContact O-N 2.9Å
423K27.1Very low31.3Very low186 Ų186143 Ų14381%0.80974%0.739SS**  trans-67.681.7170.5-77.1-173.1174.4-179.90110.6Q421Q421-K423 VanDerWaalsContact C-N 3.28Å; Q421-K423 PolarHBondContact O-N 2.94Å
424F35.7Very low30.9Very low175 Ų175144.9 Ų144.977%0.76875%0.746SS**PPolyproline II helixtrans-70145161-76.7-81.3000110.1T422T422-F424 HydrophobicContact CG2-CE2 4.47Å; T422-F424 PolarHBondContact O-N 2.9Å
425P30.8Very low30.7Very low114 Ų114150.8 Ų150.874%0.7476%0.762SS**PPolyproline II helixtrans-69.6141.9177.629.6-34.3000110.8Q427P425-Q427 PolarHBondContact O-N 2.99Å
426S26Very low30.4Very low115 Ų115148.1 Ų148.180%0.80476%0.759SS**PPolyproline II helixtrans-68.3124-178.153.50000112.7
427Q34.4Very low30.3Very low183 Ų183146.4 Ų146.486%0.85576%0.755SS**  trans-127.488.5159.9-70.7-165.2-4.800110.8P425P425-Q427 PolarHBondContact O-N 2.99Å
428T31.7Very low29.9Very low133 Ų133147.3 Ų147.382%0.81675%0.754SS**  trans36.789.8137.3-400000118
429E28.9Very low29.7Very low158 Ų158146.7 Ų146.774%0.73876%0.755SS**  trans-52.7157.3144-113.1-165.4-162.700110.5
430P34.1Very low29.8Very low92 Ų92146.1 Ų146.160%0.59775%0.752SS**  cis-147.1157.449.833.2-10.6000117.6
431F31.1Very low29.5Very low189 Ų189145 Ų14583%0.82975%0.754SS**  -174.9132.298.8-110.7-75.7000114.8
432I27.7Very low29.7Very low122 Ų122144 Ų14463%0.62675%0.754SS**  trans-67144.6179.5-63.7153.1000112.1Q434I432-Q434 HydrophobicContact CG2-CB 4.09Å
433T31.4Very low29.4Very low150 Ų150145 Ų14592%0.9276%0.76SS**  trans-138.1122.3134.6-2.10000110.4
434Q25.8Very low29.5Very low137 Ų137143.6 Ų143.664%0.6476%0.76SS**  trans-102.9137-172.4175.5-1734.900109.8I432I432-Q434 HydrophobicContact CG2-CB 4.09Å
435Y28.6Very low29.1Very low232 Ų232144 Ų14491%0.9176%0.762SS**  trans-143.4108160.5-111.8-74.5000111.8
436N27.6Very low28.9Very low110 Ų110146.4 Ų146.459%0.58877%0.767SS**  trans-77.1149160.6-62.9-10.1000108.5
437N29Very low29.1Very low127 Ų127148 Ų14868%0.67977%0.765SS**  -178.2147.7102.7-103.337.6000113.7
438D28.3Very low28.6Very low123 Ų123145.4 Ų145.466%0.65876%0.762SS**  trans61.794.5139.4-53-13.7000121.1
439T26Very low28.6Very low137 Ų137146.3 Ų146.384%0.8476%0.762SS**  36.3102.3121.456.50000118.7
440S29.8Very low28.6Very low101 Ų101145.9 Ų145.971%0.70676%0.764SS**  trans-132.7110.6145.961.10000110.5N442S440-N442 PolarHBondContact O-N 2.88Å
441Q26.2Very low28.6Very low191 Ų191148.8 Ų148.889%0.89378%0.775SS**  trans-69.2116.2169.4-67.7175.3-24.700109.1
442N31Very low28.5Very low140 Ų140146.6 Ų146.675%0.74977%0.772SS**  trans-123.795170-92.5-43.6000110.4S440 I444S440-N442 PolarHBondContact O-N 2.88Å; N442-I444 PolarHBondContact O-N 3.36Å; N442-I444 VanDerWaalsContact O-N 3.1Å
443T26Very low28.8Very low130 Ų130148.3 Ų148.380%0.79878%0.783SS**  trans-73.393.4175.238.60000110.6K445T443-K445 PolarHBondContact O-N 2.89Å
444I29.8Very low28.5Very low157 Ų157150.2 Ų150.281%0.80578%0.781SS**  trans-67.7101.3173.8-59.7179.7000109.2N442 L446N442-I444 PolarHBondContact O-N 3.36Å; N442-I444 VanDerWaalsContact O-N 3.1Å; I444-L446 PolarHBondContact O-N 3.32Å
445K27.1Very low28.8Very low184 Ų184151.6 Ų151.680%0.879%0.792SS**  trans-69.4110.5167.3-78.1-179.6174.9176.10109.3T443 I447T443-K445 PolarHBondContact O-N 2.89Å; K445-I447 PolarHBondContact O-N 2.86Å
446L26.5Very low28.6Very low164 Ų164147.6 Ų147.686%0.85978%0.783SS**  trans-65.9102.6163.9-86.2157.9000109.4I444 T448I444-L446 PolarHBondContact O-N 3.32Å; L446-T448 PolarHBondContact O-N 3.31Å
447I29.2Very low28.6Very low147 Ų147152.2 Ų152.275%0.75479%0.794SS**  trans-77.9107.8169.1-63.3176.5000107.4K445 N449K445-I447 PolarHBondContact O-N 2.86Å; I447-N449 PolarHBondContact O-N 3.19Å
448T25.7Very low28.6Very low130 Ų130151.5 Ų151.580%0.79880%0.796SS**  trans-68.4117.7171.9500000109.9L446L446-T448 PolarHBondContact O-N 3.31Å
449N30.8Very low28.4Very low152 Ų152151.1 Ų151.181%0.81380%0.803SS**  trans-116.5100.9169.4-1321.7000108.7I447 N451I447-N449 PolarHBondContact O-N 3.19Å; N449-N451 PolarHBondContact O-N 3.38Å
450N28.9Very low28.8Very low148 Ų148152.4 Ų152.479%0.79180%0.804SS**  trans-62.6128.1165.7-84-21.5000108.3
451N33.7Very low28.7Very low153 Ų153156.3 Ų156.382%0.81881%0.808SS**  trans-160.9145.4135.7-102.2-37.2000112.4N449N449-N451 PolarHBondContact O-N 3.38Å
452N28.9Very low28.8Very low144 Ų144158.7 Ų158.777%0.7781%0.809SS**  trans-46.1138.4-177.6-50.9-45.2000114.2
453N33.5Very low28.7Very low158 Ų158159.4 Ų159.485%0.84581%0.813SS**  trans-150.8116.5135.2-98-36.5000110.2
454Q26.8Very low28.9Very low190 Ų190159 Ų15989%0.88882%0.815SS**  trans-82.4135.1165.8-67.4175.4-16.500108.2
455L31.3Very low28.9Very low166 Ų166158.9 Ų158.987%0.86982%0.816SS**  trans-131.5116.9170-99.9155.4000109
456M24.3Very low29.3Very low147 Ų147157 Ų15772%0.72482%0.82SS**  trans-90.2179.5174.6-71.5-173.777.400111.1
457Y27.6Very low29.6Very low207 Ų207156.3 Ų156.381%0.81282%0.816SS**  trans94.5150.2158.4-53.6-69.7000117.3
458P29.1Very low29.8Very low112 Ų112155.2 Ų155.273%0.72782%0.819SS**  cis-119.1153.9-12.828.9-10.9000114.1
459S24.7Very low30Very low116 Ų116157.9 Ų157.981%0.81182%0.819SS**  trans-76.6123.2167.4177.70000110.4
460L33.1Very low30.1Very low163 Ų163158.9 Ų158.985%0.85382%0.823SS**  trans-99.699.6178.3-126.3161.3000110.1
461K27.5Very low30.2Very low183 Ų183157.2 Ų157.280%0.79682%0.821SS**  trans-74.1129.5171.1-69.4179.8177.9177.90110.1
462R29.8Very low30Very low242 Ų242157 Ų15791%0.91382%0.818SS**  trans-144137.3151.1-120.6177.6-171.8172.13.5110.7
463N27.9Very low30.2Very low154 Ų154157.2 Ų157.282%0.82482%0.819SS**  trans-92.4137.2-178.7-55.6-20.5000109.7
464S31.7Very low29.9Very low122 Ų122156.1 Ų156.185%0.85381%0.814SS**  trans-149.3149.9139.9-164.70000108.5
465L29.4Very low30.3Very low155 Ų155153.2 Ų153.281%0.81280%0.804SS**  trans-107.7127.7-178.3-63.290.5000110.1
466T35Very low30.2Very low144 Ų144151.2 Ų151.288%0.88379%0.794SS**  -169.1132.6125.225.70000109
467L31.8Very low30.5Very low150 Ų150152.2 Ų152.279%0.78580%0.797SS**  trans-154.3148.7178.7-152.884.7000109.7K469L467-K469 HydrophobicContact CD2-CG 4.27Å
468P33.9Very low30.5Very low124 Ų124151.9 Ų151.981%0.80580%0.802SS**  -134107.6129.931.7-18000110.7
469K29.9Very low30.4Very low185 Ų185157.2 Ų157.280%0.80481%0.808SS**  54.9100.290.1-80.8-166.3173.4-177.40114.8L467L467-K469 HydrophobicContact CD2-CG 4.27Å
470L33.4Very low30.5Very low173 Ų173155.8 Ų155.891%0.90680%0.798SS**  trans-147.7168.1150.5-97.5158.1000107.4
471P31.5Very low30.3Very low114 Ų114152.2 Ų152.274%0.7478%0.782SS**  -100.8159.3-117.937.1-37.7000116.5
472I28.2Very low30.3Very low147 Ų147152.7 Ų152.775%0.75478%0.781SS**  trans-66.4136.4172.4-60163000110.3D474I472-D474 VanDerWaalsContact CG2-OD2 3.3Å; I472-D474 WeakPolarHBondContact CG2-OD2 3.48Å
473N33.5Very low30.1Very low149 Ų149151.5 Ų151.580%0.79778%0.778SS**  trans-138.189.5159.6-173.916.1000109.4N475N473-N475 PolarHBondContact O-N 3.32Å
474D28.4Very low30.1Very low136 Ų136150.2 Ų150.273%0.72778%0.776SS**  trans-68.1108.9177-75.9-59.5000111I472I472-D474 VanDerWaalsContact CG2-OD2 3.3Å; I472-D474 WeakPolarHBondContact CG2-OD2 3.48Å
475N34.3Very low29.9Very low128 Ų128156.3 Ų156.368%0.68478%0.78SS**  trans-159.5106.8155-106.7-63.1000113.6N473N473-N475 PolarHBondContact O-N 3.32Å
476N29.8Very low29.8Very low124 Ų124154.3 Ų154.366%0.66378%0.779SS**  trans43.5103.5130.8-70.7-56.4000117.7
477H31.1Very low29.6Very low168 Ų168152.1 Ų152.178%0.77877%0.769SS**  cis-168.3136.547.1-83.6-21.6000111.6R479H477-R479 PolarHBondContact O-N 2.92Å; H477-R479 VanDerWaalsContact O-N 3.11Å
478H27.4Very low29.4Very low201 Ų201152 Ų15293%0.93177%0.77SS**  trans-72.597.6162.8-96.1-93.6000110.6S480H478-S480 PolarHBondContact O-N 2.89Å
479R26.9Very low29.4Very low223 Ų223153.8 Ų153.884%0.84277%0.771SS**  trans-94.384172.1-163.6179.3-167-170.23.9111H477 V481H477-R479 PolarHBondContact O-N 2.92Å; H477-R479 VanDerWaalsContact O-N 3.11Å; R479-V481 HydrophobicContact CG-CG2 4.36Å; R479-V481 PolarHBondContact O-N 2.86Å; R479-V481 VanDerWaalsContact O-N 3.11Å
480S26.6Very low29.2Very low86 Ų86150.2 Ų150.260%0.60177%0.769SS**  trans-65.2105.4168.551.70000110.4H478 Y482H478-S480 PolarHBondContact O-N 2.89Å; S480-Y482 PolarHBondContact O-N 3.27Å
481V28.5Very low29.1Very low88 Ų88149.3 Ų149.353%0.53377%0.765SS.*  trans-8594.3178.7-177.30000109.7R479 Y483R479-V481 HydrophobicContact CG-CG2 4.36Å; R479-V481 PolarHBondContact O-N 2.86Å; R479-V481 VanDerWaalsContact O-N 3.11Å; V481-Y483 HydrophobicContact CB-CE2 4.39Å; V481-Y483 HydrophobicContact CG1-CD2 4.03Å; V481-Y483 HydrophobicContact CG1-CE1 4.48Å; V481-Y483 HydrophobicContact CG1-CE2 3.64Å
482Y26.7Very low28.9Very low194 Ų194152.9 Ų152.976%0.76177%0.769SS**  trans-75.8119166.9-70.9-88.5000109.9S480 T484S480-Y482 PolarHBondContact O-N 3.27Å; Y482-T484 PolarHBondContact O-N 2.95Å
483Y27Very low28.9Very low216 Ų216153.3 Ų153.385%0.84777%0.772SS**  trans-85.881.2175.5-77.9-86.7000111.5V481 R485V481-Y483 HydrophobicContact CB-CE2 4.39Å; V481-Y483 HydrophobicContact CG1-CD2 4.03Å; V481-Y483 HydrophobicContact CG1-CE1 4.48Å; V481-Y483 HydrophobicContact CG1-CE2 3.64Å; Y483-R485 PolarHBondContact O-N 2.98Å
484T27.6Very low28.6Very low128 Ų128153.9 Ų153.979%0.78577%0.77SS**  trans-78.5115.5166.350.20000110.1Y482 S486Y482-T484 PolarHBondContact O-N 2.95Å; T484-S486 PolarHBondContact O-N 3.43Å
485R26.5Very low28.6Very low250 Ų250156 Ų15694%0.94377%0.773SS**  trans-69.197.9179.3-174.9-178.2-174.1176.33.1111Y483Y483-R485 PolarHBondContact O-N 2.98Å
486S28.9Very low28.3Very low112 Ų112156.7 Ų156.778%0.78378%0.777SS**  trans-69.9135.5170.5-1680000111T484T484-S486 PolarHBondContact O-N 3.43Å
487S29.6Very low28.2Very low98 Ų98157.2 Ų157.269%0.68579%0.785SS**  trans-93.6127.3177.955.70000111.3
488N28.4Very low28.2Very low149 Ų149157.1 Ų157.180%0.79779%0.788SS**  trans59.9120.6172.5-58.3-19.3000116.5
489I33.5Very low28.2Very low160 Ų160153 Ų15382%0.82178%0.777SS**  -175.7131.1125.3-95.6152.7000107.3
490S26.2Very low28.6Very low110 Ų110149.5 Ų149.577%0.76978%0.775SS**  trans-81.4143.3172.1490000110.4
491N31.2Very low28.9Very low154 Ų154151.1 Ų151.182%0.82478%0.781SS**  trans-153.1128.8158.9-98.3-46.6000110.4
492K26.4Very low29Very low190 Ų190151.8 Ų151.883%0.82679%0.79SS**  trans-75.8142.6173.5-74.2177.3172.5178.30109.8
493L29.1Very low29.3Very low155 Ų155150.3 Ų150.381%0.81279%0.794SS**  trans-120.8109.4156.6-88.5164.5000108.3F495L493-F495 HydrophobicContact CB-CE2 4.38Å
494Q26.1Very low29.7Very low161 Ų161144.4 Ų144.475%0.75278%0.784SS**  trans-81.8144.1168.9-70.4176.1-8700109.6
495F29.8Very low30Very low181 Ų181143.4 Ų143.479%0.79478%0.782SS**  trans-123.7125.1159.8-72.3-80.9000108.2L493L493-F495 HydrophobicContact CB-CE2 4.38Å
496N26.6Very low30.4Very low143 Ų143137.3 Ų137.377%0.76578%0.775SS**PPolyproline II helixtrans-82.9129.1-176.5-70.2-13.2000110.7
497T27.8Very low31Very low135 Ų135137 Ų13783%0.82877%0.771SS**PPolyproline II helixtrans-79128.1168.1-390000109.6T499T497-T499 PolarHBondContact O-N 3.27Å
498I31.9Very low31.2Very low165 Ų165141.8 Ų141.885%0.84678%0.779SS**PPolyproline II helixtrans-79.5119.4175-62.3175.8000108.8
499T27.8Very low31.3Very low116 Ų116139.1 Ų139.171%0.71277%0.772SS**PPolyproline II helixtrans-80152.8174.351.20000112.1T497T497-T499 PolarHBondContact O-N 3.27Å
500N33.9Very low31.2Very low149 Ų149138 Ų13880%0.79777%0.766SS**  trans-157.1134.1137.2-105.6-24.3000112.9
501T32.5Very low31.4Very low119 Ų119142 Ų14273%0.7377%0.766SS**  trans40112.515457.10000119.8
502S30.5Very low31.5Very low102 Ų102140.1 Ų140.171%0.71376%0.76SS**  cis91.4129.838.175.60000115.8
503I33.7Very low31.8Very low163 Ų163139.2 Ų139.284%0.83676%0.757SS**  trans-176149.1136.6-96.6154000111
504S35Very low31.9Very low92 Ų92138.5 Ų138.564%0.64375%0.749SS**  trans-10.7137.6178.957.20000121.3
505S34.3Very low32.3Very low108 Ų108134.9 Ų134.976%0.75574%0.741SS**  cis73.2152.933.892.90000115.5
506P36Very low32.3Very low121 Ų121133.7 Ų133.779%0.78674%0.743SS**  cis-134.5-153.9-8.847-27.5000112.7
507P40.9Very low32.4Very low107 Ų107134.5 Ų134.570%0.69575%0.747SS**  trans-126.2-169-159.546.6-34.7000116.9
508F33.2Very low32.4Very low198 Ų198132.9 Ų132.987%0.86874%0.741SS**  trans175.8128148.7-89.6-63.3000108.6
509S31.4Very low32.5Very low93 Ų93132.4 Ų132.465%0.6574%0.739SS**  76.5147.876.897.80000115.3
510I30.5Very low32.8Very low135 Ų135133 Ų13369%0.69275%0.745SS**  cis-168.9169.21.9-132.9169.9000111.9
511Y31.7Very low32.6Very low195 Ų195132 Ų13277%0.76574%0.744SS**  trans63.9116.3166.3-77-42.2000120.3
512T32.1Very low32.6Very low114 Ų114133.9 Ų133.970%0.69975%0.75SS**  61.9146.989.265.30000116.8
513K32.5Very low32.5Very low172 Ų172134.7 Ų134.775%0.74876%0.756SS**  cis-165.2178.221.4-132.2177.1-175.5-154.10108
514Q31Very low32.2Very low140 Ų140133.1 Ų133.165%0.65476%0.758SS**  cis-161-174-0.3-157.6174.7-102.600109.4
515S34.9Very low32.2Very low85 Ų85137.9 Ų137.959%0.59477%0.77SS**  trans76.2104150.863.60000122.5
516N30.3Very low32Very low155 Ų155138.4 Ų138.483%0.82977%0.771SS**  58128.1129.1-46.9-6.1000118.1
517L28.4Very low31.8Very low161 Ų161140.7 Ų140.784%0.84378%0.775SS**  cis-162.1164.639.4-171.167.3000111.8
518S28.7Very low31.1Very low100 Ų100140.9 Ų140.970%0.69978%0.777SS**  trans95.9156.3161.382.80000120.4
519L32.9Very low31.1Very low155 Ų155139.2 Ų139.281%0.81278%0.777SS**  trans66.9137.3-175.1-76.687.9000119.2
520P33.6Very low31Very low130 Ų130140.4 Ų140.484%0.84478%0.781SS**  trans-86.4156.3176.436.3-35.3000113
521T31.3Very low31.1Very low126 Ų126144.9 Ų144.977%0.77379%0.791SS**  trans-105.4135.2-168.751.40000115.3
522N30.9Very low31Very low160 Ų160144.5 Ų144.586%0.85680%0.796SS**  trans25.4128139.9-58.6-7.3000120.5
523S29.5Very low31Very low119 Ų119147.4 Ų147.483%0.83280%0.802SS**  trans-135.999.7142.956.30000111.5
524C28.3Very low30.8Very low130 Ų130146.6 Ų146.688%0.87881%0.805SS**  trans-138.3114.3163.4-78.80000106.7
525Q34.4Very low30.6Very low191 Ų191146.9 Ų146.989%0.89382%0.816SS**  trans-89.9144.1175.5-71.1-161.3-61.400110.4
526P29.5Very low30.3Very low120 Ų120148.7 Ų148.778%0.77983%0.827SS**  trans-76.4132.3170.731.9-32.5000110.1
527I32.5Very low30.2Very low168 Ų168147 Ų14786%0.86283%0.826SS**  trans-112.2126.1154-65-179.8000105.8
528C26.7Very low30.3Very low111 Ų111147.2 Ų147.275%0.7583%0.827SS**  trans-72.3132.8-178.3-54.40000110.7
529D31.7Very low30.3Very low163 Ų163149.5 Ų149.587%0.87283%0.831SS**  -150156129.8-108.1-33.3000110
530T29.6Very low30.2Very low119 Ų119149.8 Ų149.873%0.7383%0.834SS**  trans-88.6123.1-164.353.70000113.2
531Y31.9Very low30.3Very low229 Ų229153.1 Ų153.190%0.89884%0.837SS**  -167.5138.7124.1-94.9-65.3000109.8
532E30.7Very low30.3Very low186 Ų186155 Ų15587%0.86984%0.842SS**  trans-74.3143.6168.4-58.9168.1129.900107.6
533E30.8Very low30.4Very low175 Ų175155.3 Ų155.382%0.81884%0.844SS**  -159.4171.854-125.1-179.4156.500112.8
534L29.7Very low30.5Very low156 Ų156162.1 Ų162.182%0.81785%0.851SS**  trans61.775.9163.4-64.1171.1000118.3
535T25.8Very low30.5Very low145 Ų145165.7 Ų165.789%0.8985%0.852SS**  trans-62.1136.7152.933.80000111.9
536C28.5Very low30.3Very low123 Ų123164.8 Ų164.883%0.83185%0.848SS**  trans-130.1128.1164.1-164.40000109.5
537C29.7Very low30.5Very low120 Ų120165.7 Ų165.781%0.81185%0.846SS**  trans-79.1126.3-175.4-64.30000111N539C537-N539 PolarHBondContact O-N 3.02Å; C537-N539 VanDerWaalsContact O-N 3.09Å
538I30Very low30.5Very low165 Ų165164.4 Ų164.485%0.84684%0.841SS**  trans-69.8105.5176.1-62.8170.3000109.5
539N29.3Very low30.6Very low148 Ų148166.5 Ų166.579%0.79185%0.845SS**  trans-169.676.7162.4-93.2-31.3000109.9C537C537-N539 PolarHBondContact O-N 3.02Å; C537-N539 VanDerWaalsContact O-N 3.09Å
540D30.8Very low30.7Very low162 Ų162167.5 Ų167.587%0.86684%0.843SS**  trans-174.148.4159-102.9-18.4000114.4
541H34.8Very low30.7Very low200 Ų200166.3 Ų166.393%0.92684%0.84SS**  trans-12224.9174.1-88.6-54.9000114.7
542L32.2Very low30.5Very low165 Ų165160 Ų16086%0.86483%0.83SS**SBendtrans-109.559.3173.4-82.1166.2000111.6
543N32.5Very low30.5Very low167 Ų167159 Ų15989%0.89383%0.828SS**  trans-175.865160.4-97.9-27.3000114.7
544W30.3Very low30.4Very low261 Ų261155 Ų15599%0.98983%0.826SS**  trans-152.764.6158.2-141.14.7000114.6
545K29.5Very low30.5Very low205 Ų205153.5 Ų153.589%0.89183%0.825SS**SBendtrans-14437.6169.3-149.9-179.3-178.4178.20114.8
546Q30.8Very low30.8Very low173 Ų173156.1 Ų156.181%0.80882%0.824SS**  trans-163.1112.6166.7-112.5164-1.900109.4
547N32.6Very low30.8Very low139 Ų139158.5 Ų158.574%0.74383%0.828SS**  170.8142.1119.1-86.9-15.3000113.3
548N33.3Very low31Very low141 Ų141158.8 Ų158.875%0.75483%0.826SS**  trans65.193.4151.5-56.7-4.5000118.9H550N548-H550 PolarHBondContact O-N 3.47Å
549N28.9Very low31Very low155 Ų155156.2 Ų156.283%0.82982%0.823SS**  -41.7124.7125.5-60.6-23.3000109.5
550H33.7Very low31.3Very low183 Ų183158.3 Ų158.385%0.84783%0.825SS**  trans178.9134.2130.5-109.7-90.8000112.1N548N548-H550 PolarHBondContact O-N 3.47Å
551S29.2Very low31.6Very low94 Ų94163 Ų16366%0.65784%0.842SS**  trans16.5121.4152.7-166.60000120.9
552S27.3Very low31.5Very low98 Ų98161.2 Ų161.269%0.68584%0.838SS**  trans72.1163.7137.169.10000120.8
553I31.6Very low31.4Very low163 Ų163160.9 Ų160.984%0.83684%0.836SS**  trans77.1101.6175.8-49.9172.5000114.7
554A27.4Very low31.4Very low92 Ų92160.6 Ų160.676%0.7683%0.833SS**PPolyproline II helixtrans-89.2138.4170.100000111.7
555P32.2Very low31.4Very low125 Ų125154.7 Ų154.781%0.81282%0.824SS**PPolyproline II helixtrans-76.5144.6167.4-8.925.8000111.6
556K31.7Very low31.5Very low199 Ų199151.6 Ų151.687%0.86582%0.82SS**PPolyproline II helixtrans-73.2147.4175.6-68.7177176.5176.70111.8
557L29Very low31.6Very low173 Ų173150.1 Ų150.191%0.90682%0.82SS**PPolyproline II helixtrans-64.2140.9156.6-87.573000110
558T33.9Very low31.5Very low127 Ų127150.9 Ų150.978%0.77983%0.826SS**  trans-118.8118.2159.549.70000108.7
559S29.9Very low31.4Very low111 Ų111151.7 Ų151.778%0.77683%0.832SS**  trans-71.9146174.451.90000112
560F35.8Very low31.6Very low192 Ų192151.4 Ų151.484%0.84283%0.832SS**  trans-116.8166152.6-95.3-91.3000109.8
561Q37.2Very low31.4Very low260 Ų260148.5 Ų148.5100%1.21583%0.83SS**  trans-64.10-158.9-64.8171-107.900115.6

Retrieved 561 of 561 residues in 113.7 ms (Link to these results)

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