A0A5K4FDR7_SCHMA Loading...

Hydrocephalus-inducing protein homolog

AlphaFold DB , UniProt , Accession A0A5K4FDR7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 175 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M31.2Very low30.5Very low242 Ų242145.5 Ų145.5100%1.19277%0.768SS**  099.10-83.1175176.200108.2L3M1-L3 PolarHBondContact O-N 3.37Å
2T27.6Very low31.6Very low143 Ų143141.3 Ų141.388%0.87775%0.752SS**  trans-82.3101.5175.915.70000108.1K4T2-K4 PolarHBondContact O-N 2.93Å
3L25Very low32.4Very low154 Ų154140.5 Ų140.581%0.80674%0.741SS**  trans-63.899.7165.9-100.1137.3000107.5M1 H5M1-L3 PolarHBondContact O-N 3.37Å; L3-H5 VanDerWaalsContact C-N 3.26Å; L3-H5 PolarHBondContact O-N 2.99Å
4K26.5Very low33.4Very low187 Ų187137.6 Ų137.681%0.81372%0.719SS**  trans-61.897.4159.1-81.1-176.7174.7-178.60106.2T2 T6T2-K4 PolarHBondContact O-N 2.93Å; K4-T6 PolarHBondContact O-N 3.45Å; K4-T6 PolarHBondContact O-OG1 3.14Å
5H30Very low34.3Very low177 Ų177131.5 Ų131.582%0.81969%0.688SS**  trans-63.185.2160.6-99.6-75.8000107.2L3 S7L3-H5 VanDerWaalsContact C-N 3.26Å; L3-H5 PolarHBondContact O-N 2.99Å; H5-S7 PolarHBondContact O-N 2.82Å; H5-S7 VanDerWaalsContact O-N 3.14Å
6T26.7Very low35.2Very low107 Ų107125 Ų12566%0.65665%0.653SS**  trans-63112.5166-36.70000106.1K4 I8K4-T6 PolarHBondContact O-N 3.45Å; K4-T6 PolarHBondContact O-OG1 3.14Å; T6-I8 VanDerWaalsContact C-N 3.26Å; T6-I8 PolarHBondContact O-N 2.84Å
7S29Very low35.9Very low107 Ų107119.3 Ų119.375%0.74862%0.623SS**  trans-63.584.7176.659.40000109.8H5 V9H5-S7 PolarHBondContact O-N 2.82Å; H5-S7 VanDerWaalsContact O-N 3.14Å; S7-V9 VanDerWaalsContact C-N 3.25Å; S7-V9 PolarHBondContact O-N 3.36Å
8I33.3Very low36.6Very low147 Ų147113.8 Ų113.875%0.75459%0.593SS**  trans-9862.6165.1-50.9174.3000106.4T6T6-I8 VanDerWaalsContact C-N 3.26Å; T6-I8 PolarHBondContact O-N 2.84Å
9V32Very low37.3Very low85 Ų85110.2 Ų110.252%0.51558%0.575SS.*  trans-124.162.5160.5-170.60000104.9S7 E11 D125S7-V9 VanDerWaalsContact C-N 3.25Å; S7-V9 PolarHBondContact O-N 3.36Å; V9-E11 PolarHBondContact O-N 3.14Å; V9-D125 WeakPolarHBondContact CG1-OD1 3.36Å
10N34.4Very low37.9Very low136 Ų136105 Ų10573%0.72755%0.548SS*.  trans-64.7124.2162.6-90.8-6.4000105.8V12N10-V12 WeakPolarHBondContact O-CG2 3.2Å; N10-V12 PolarHBondContact O-N 2.76Å
11E39.3Very low38.5Very low115 Ų115102.4 Ų102.454%0.53753%0.533SS..  trans-45.9105.8171-60.3-173145.100108.8V9 E13 K121V9-E11 PolarHBondContact O-N 3.14Å; E11-E13 VanDerWaalsContact C-N 3.32Å; E11-E13 PolarHBondContact O-N 2.98Å; E11-K121 VanDerWaalsContact CD-CE 3.47Å; E11-K121 IonicContact OE1-NZ 2.67Å; E11-K121 WeakPolarHBondContact OE2-CE 3.08Å; E11-K121 IonicContact OE2-NZ 3.8Å; E11-K121 PolarHBondContact OE2-NZ 3.01Å
12V44.6Very low39.4Very low96 Ų9691.1 Ų91.158%0.58248%0.477SS*.  trans-80.191.8178.5-167.20000105.7N10 K14N10-V12 WeakPolarHBondContact O-CG2 3.2Å; N10-V12 PolarHBondContact O-N 2.76Å; V12-K14 HydrophobicContact CG1-CG 4.4Å; V12-K14 PolarHBondContact O-N 3.19Å
13E40.9Very low40.4Very low130 Ų13085.8 Ų85.861%0.60745%0.445SS*.  trans-56123.3164.4-80.5-172.6159.200108.1E11 K121E11-E13 VanDerWaalsContact C-N 3.32Å; E11-E13 PolarHBondContact O-N 2.98Å; E13-K121 HydrophobicContact CG-CG 4.49Å
14K47.1Very low41.6Very low100 Ų10079.1 Ų79.144%0.43541%0.41SS..EExtended strand (participates in β ladder)trans-109.9120.9176.4-60.2-178.2-171.7167.30107.7V12 V120 F122V12-K14 HydrophobicContact CG1-CG 4.4Å; V12-K14 PolarHBondContact O-N 3.19Å; K14-V120 PolarHBondContact O-N 3.09Å; K14-F122 HydrophobicContact CB-CE2 4.07Å; K14-F122 HydrophobicContact CD-CD2 3.98Å; K14-F122 HydrophobicContact CD-CE2 3.75Å; K14-F122 HydrophobicContact CG-CD2 4.31Å; K14-F122 HydrophobicContact CG-CE2 4.15Å
15L46.1Very low42.5Very low47 Ų4772.1 Ų72.125%0.24639%0.387CS..EExtended strand (participates in β ladder)trans-102.1121.7179.5-68.1166.8000108.8R119 I152L15-R119 HydrophobicContact CD2-CB 3.91Å; L15-R119 VanDerWaalsContact CD2-CD 3.44Å; L15-R119 HydrophobicContact CD2-CG 3.36Å; L15-I152 HydrophobicContact CB-CB 4.44Å; L15-I152 PolarHBondContact O-N 3.33Å
16Q48.8Very low43.3Very low27 Ų2766.6 Ų66.613%0.12637%0.368CS..EExtended strand (participates in β ladder)trans-115.3128169-65.8-155.5-10.500109.7F18 V118 F133 T151Q16-F18 HydrophobicContact CB-CE2 3.72Å; Q16-F18 HydrophobicContact CB-CZ 3.97Å; Q16-V118 PolarHBondContact N-O 2.78Å; Q16-V118 CarbonylContact O-C 3.59Å; Q16-V118 PolarHBondContact O-N 3.35Å; Q16-F133 HydrophobicContact CB-CZ 4.19Å; Q16-F133 HydrophobicContact CG-CZ 4.33Å; Q16-F133 VanDerWaalsContact OE1-CZ 3.25Å; Q16-T151 HydrophobicContact CG-CG2 3.93Å
17L47Very low44.3Very low28 Ų2868 Ų6815%0.14737%0.371CS..EExtended strand (participates in β ladder)trans-109.1128.1-179-73.8138.8000109V115 E117 Q150 I152L17-V115 HydrophobicContact CD2-CG1 4.4Å; L17-E117 HydrophobicContact CD2-CB 3.79Å; L17-E117 HydrophobicContact CD2-CG 3.79Å; L17-E117 HydrophobicContact CG-CG 4.34Å; L17-Q150 WeakPolarHBondContact CA-O 3.27Å; L17-Q150 HydrophobicContact CB-CB 4.48Å; L17-Q150 PolarHBondContact N-O 3.14Å; L17-Q150 PolarHBondContact O-N 3.45Å; L17-I152 HydrophobicContact CD1-CB 4.48Å; L17-I152 HydrophobicContact CD1-CD1 3.18Å; L17-I152 HydrophobicContact CD1-CG1 3.63Å
18F49.7Very low45Very low21 Ų2165.4 Ų65.49%0.09235%0.35CS..EExtended strand (participates in β ladder)trans-112.6112.7177.3-59-93.5000108.3Q16 V20 V116 V118 F133 I149Q16-F18 HydrophobicContact CB-CE2 3.72Å; Q16-F18 HydrophobicContact CB-CZ 3.97Å; F18-V20 HydrophobicContact CB-CG2 4.37Å; F18-V116 WeakPolarHBondContact CA-O 3.46Å; F18-V116 HydrophobicContact CB-CB 4.34Å; F18-V116 WeakPolarHBondContact CB-O 3.44Å; F18-V116 PolarHBondContact N-O 3.01Å; F18-V116 PolarHBondContact O-N 3.48Å; F18-V118 HydrophobicContact CD2-CB 4.24Å; F18-V118 HydrophobicContact CD2-CG2 3.79Å; F18-V118 HydrophobicContact CE2-CB 4.01Å; F18-V118 HydrophobicContact CE2-CG2 3.96Å; F18-F133 HydrophobicContact CD2-CD1 4.46Å; F18-F133 HydrophobicContact CE1-CB 3.54Å; F18-F133 AromaticContact CE1-CD1 3.97Å; F18-F133 HydrophobicContact CE1-CD1 3.97Å; F18-F133 HydrophobicContact CE1-CD2 4.26Å; F18-F133 AromaticContact CE1-CG 3.7Å; F18-F133 HydrophobicContact CE1-CG 3.7Å; F18-F133 AromaticContact CE2-CD1 3.4Å; F18-F133 HydrophobicContact CE2-CD1 3.4Å; F18-F133 VanDerWaalsContact CE2-CD1 3.4Å; F18-F133 AromaticContact CE2-CE1 3.49Å; F18-F133 HydrophobicContact CE2-CE1 3.49Å; F18-F133 VanDerWaalsContact CE2-CE1 3.49Å; F18-F133 AromaticContact CE2-CG 3.96Å; F18-F133 HydrophobicContact CE2-CG 3.96Å; F18-F133 HydrophobicContact CE2-CZ 4.18Å; F18-F133 HydrophobicContact CZ-CB 3.58Å; F18-F133 AromaticContact CZ-CD1 3.12Å; F18-F133 HydrophobicContact CZ-CD1 3.12Å; F18-F133 AromaticContact CZ-CD2 3.61Å; F18-F133 HydrophobicContact CZ-CD2 3.61Å; F18-F133 AromaticContact CZ-CE1 3.5Å; F18-F133 HydrophobicContact CZ-CE1 3.5Å; F18-F133 HydrophobicContact CZ-CE2 4.01Å; F18-F133 AromaticContact CZ-CG 3.16Å; F18-F133 HydrophobicContact CZ-CG 3.16Å; F18-F133 AromaticContact CZ-CZ 3.95Å; F18-F133 HydrophobicContact CZ-CZ 3.95Å; F18-I149 HydrophobicContact CD1-CB 4.46Å; F18-I149 HydrophobicContact CD1-CD1 4.15Å; F18-I149 HydrophobicContact CD1-CG1 3.76Å; F18-I149 HydrophobicContact CD1-CG2 4.22Å; F18-I149 HydrophobicContact CE1-CB 4.39Å; F18-I149 HydrophobicContact CE1-CD1 3.8Å; F18-I149 HydrophobicContact CE1-CG1 3.82Å; F18-I149 HydrophobicContact CE1-CG2 3.78Å; F18-I149 HydrophobicContact CZ-CG2 4.27Å
19N50.2Low45.7Very low44 Ų4461.9 Ų61.924%0.23534%0.339CS..EExtended strand (participates in β ladder)trans-92.9119.8169.3-65.2-39.1000108V115 Q147 S148N19-V115 VanDerWaalsContact OD1-CG1 3.28Å; N19-V115 WeakPolarHBondContact OD1-CG1 3.37Å; N19-V115 WeakPolarHBondContact OD1-CG2 3.49Å; N19-Q147 WeakPolarHBondContact O-CA 3.25Å; N19-S148 PolarHBondContact N-O 3.26Å; N19-S148 PolarHBondContact O-N 2.68Å
20V48.6Very low46.4Very low7 Ų758.1 Ų58.14%0.04232%0.317CS..EExtended strand (participates in β ladder)trans-123.9121.7-175.4-176.20000109.1F18 L22 T114 L135F18-V20 HydrophobicContact CB-CG2 4.37Å; V20-L22 HydrophobicContact CG1-CD1 4.42Å; V20-L22 HydrophobicContact CG1-CD2 3.65Å; V20-L22 HydrophobicContact CG1-CG 3.86Å; V20-T114 HydrophobicContact CB-CG2 4.11Å; V20-T114 PolarHBondContact N-O 3.22Å; V20-T114 PolarHBondContact O-N 3.45Å; V20-L135 HydrophobicContact CB-CD2 4.18Å; V20-L135 HydrophobicContact CG1-CD2 3.34Å; V20-L135 HydrophobicContact CG2-CD2 3.72Å
21Q50.1Low47Very low51 Ų5154.2 Ų54.224%0.23830%0.298CS..EExtended strand (participates in β ladder)trans-108.3124.1171.6-157.9179.3-12.100109.8F112 I145 R146Q21-F112 CarbonylContact C-O 3.56Å; Q21-F112 VanDerWaalsContact CA-O 3.32Å; Q21-F112 WeakPolarHBondContact CA-O 2.99Å; Q21-F112 WeakPolarHBondContact CG-O 3.08Å; Q21-I145 HydrophobicContact CB-CG1 4.29Å; Q21-I145 HydrophobicContact CG-CD1 3.98Å; Q21-I145 HydrophobicContact CG-CG1 4.15Å; Q21-I145 WeakPolarHBondContact O-CG1 3.37Å; Q21-I145 PolarHBondContact O-N 3.31Å; Q21-R146 HydrophobicContact CB-CB 3.75Å; Q21-R146 PolarHBondContact N-O 3.19Å; Q21-R146 PolarHBondContact O-N 3Å; Q21-R146 VanDerWaalsContact O-O 3.13Å
22L51.4Low47.4Very low4 Ų448.9 Ų48.92%0.02127%0.273CS..EExtended strand (participates in β ladder)trans-119143.2-175.5-56.5171.1000109.5V20 V24 F112 V137 I143 I144V20-L22 HydrophobicContact CG1-CD1 4.42Å; V20-L22 HydrophobicContact CG1-CD2 3.65Å; V20-L22 HydrophobicContact CG1-CG 3.86Å; L22-V24 HydrophobicContact CB-CG2 4.47Å; L22-F112 PolarHBondContact N-O 2.86Å; L22-F112 WeakPolarHBondContact O-CA 3.22Å; L22-F112 PolarHBondContact O-N 3.34Å; L22-V137 HydrophobicContact CD2-CG1 4.41Å; L22-V137 HydrophobicContact CD2-CG2 3.82Å; L22-I143 WeakPolarHBondContact CA-O 3.02Å; L22-I144 HydrophobicContact CD2-CB 4.12Å; L22-I144 HydrophobicContact CD2-CG1 3.47Å; L22-I144 VanDerWaalsContact CD2-CG1 3.47Å; L22-I144 HydrophobicContact CD2-CG2 4.48Å
23T47.7Very low47.6Very low31 Ų3145.3 Ų45.319%0.1925%0.252CS..EExtended strand (participates in β ladder)trans-106.4122.2162.1-57.80000107.2A109 N111 A142 I143 I145T23-A109 HydrophobicContact CG2-CB 4.36Å; T23-N111 PolarHBondContact OG1-OD1 3.31Å; T23-A142 CarbonylContact O-C 3.43Å; T23-A142 VanDerWaalsContact O-CA 3.26Å; T23-A142 WeakPolarHBondContact O-CA 2.81Å; T23-A142 WeakPolarHBondContact O-CB 3.33Å; T23-I143 PolarHBondContact N-O 3.05Å; T23-I143 PolarHBondContact O-N 3.32Å; T23-I145 VanDerWaalsContact OG1-CD1 3.24Å; T23-I145 WeakPolarHBondContact OG1-CD1 3.33Å; T23-I145 WeakPolarHBondContact OG1-CG2 3.4Å
24V49.2Very low48Very low14 Ų1439.4 Ų39.49%0.08523%0.225CC..EExtended strand (participates in β ladder)trans-106.3142.4-177.6-173.50000108.3L22 T28 A30 F112 E141 A142L22-V24 HydrophobicContact CB-CG2 4.47Å; V24-T28 WeakPolarHBondContact CG1-O 3.13Å; V24-T28 WeakPolarHBondContact CG1-OG1 2.92Å; V24-A30 HydrophobicContact CG1-CB 3.97Å; V24-A30 HydrophobicContact CG2-CB 4.01Å; V24-F112 HydrophobicContact CB-CD2 4.09Å; V24-F112 HydrophobicContact CB-CE2 4.09Å; V24-F112 HydrophobicContact CG2-CD2 3.8Å; V24-F112 HydrophobicContact CG2-CE2 4.28Å; V24-E141 WeakPolarHBondContact CG1-O 3.48Å; V24-A142 HydrophobicContact CB-CB 4.25Å; V24-A142 HydrophobicContact CG1-CB 4.34Å; V24-A142 HydrophobicContact CG2-CB 3.87Å
25A47.3Very low48.1Very low40 Ų4036.3 Ų36.333%0.33121%0.213SC..  trans-65.1144.5174.800000110.2N27 T28 E141A25-N27 PolarHBondContact O-N 3.02Å; A25-T28 HydrophobicContact CB-CG2 3.94Å; A25-T28 WeakPolarHBondContact CB-OG1 3.29Å; A25-T28 PolarHBondContact O-N 3.42Å; A25-T28 PolarHBondContact O-OG1 3.26Å; A25-E141 PolarHBondContact N-O 2.97Å
26P45.7Very low48.3Very low62 Ų6234.7 Ų34.740%0.40320%0.204SC..THydrogen-bonded Turntrans-58.3138.4179.6-20.531.4000111.6T28 P108P26-T28 PolarHBondContact O-N 2.87Å; P26-P108 HydrophobicContact CG-CB 4.1Å
27N47.8Very low48.3Very low136 Ų13637.1 Ų37.173%0.72722%0.216SC*.THydrogen-bonded Turntrans62.826.1-179.6-39.4-83.4000114.6A25 E102A25-N27 PolarHBondContact O-N 3.02Å; N27-E102 WeakPolarHBondContact CA-OE1 3.3Å; N27-E102 WeakPolarHBondContact CA-OE2 3.47Å; N27-E102 PolarHBondContact N-OE1 2.88Å; N27-E102 PolarHBondContact N-OE2 2.87Å; N27-E102 PolarHBondContact OD1-OE2 2.79Å; N27-E102 VanDerWaalsContact OD1-OE2 3.14Å
28T43.2Very low48.3Very low52 Ų5236.6 Ų36.632%0.31921%0.213SC..  trans-121.8144.5175.668.20000111V24 A25 P26 E141V24-T28 WeakPolarHBondContact CG1-O 3.13Å; V24-T28 WeakPolarHBondContact CG1-OG1 2.92Å; A25-T28 HydrophobicContact CB-CG2 3.94Å; A25-T28 WeakPolarHBondContact CB-OG1 3.29Å; A25-T28 PolarHBondContact O-N 3.42Å; A25-T28 PolarHBondContact O-OG1 3.26Å; P26-T28 PolarHBondContact O-N 2.87Å; T28-E141 PolarHBondContact OG1-O 3.11Å
29S48.4Very low48Very low74 Ų7439.4 Ų39.452%0.51723%0.234SC..PPolyproline II helixtrans-89.7134165.6490000108.1E141S29-E141 WeakPolarHBondContact O-CB 2.99Å; S29-E141 WeakPolarHBondContact O-CG 3.34Å
30A46Very low47.5Very low6 Ų638.6 Ų38.65%0.0524%0.235CC..PPolyproline II helixtrans-103.8126.117300000109.3V24 E141 A142V24-A30 HydrophobicContact CG1-CB 3.97Å; V24-A30 HydrophobicContact CG2-CB 4.01Å; A30-E141 HydrophobicContact CB-CB 4.45Å; A30-A142 HydrophobicContact CB-CB 3.45Å; A30-A142 VanDerWaalsContact CB-CB 3.45Å
31T48Very low47Very low54 Ų5448.6 Ų48.633%0.33128%0.278SS..EExtended strand (participates in β ladder)trans-91.6133.4167.750.40000109.5T75 N138T31-T75 HydrophobicContact CG2-CG2 4.26Å; T31-N138 PolarHBondContact O-N 2.82Å
32Y47.8Very low46.3Very low3 Ų347 Ų471%0.01227%0.271CS..EExtended strand (participates in β ladder)trans-122.7141.4168.465.1-84.3000110.6T75 L76 I78 V116 L135 Q136Y32-T75 CarbonylContact O-C 3.48Å; Y32-T75 VanDerWaalsContact O-CA 3.31Å; Y32-T75 WeakPolarHBondContact O-CA 3.33Å; Y32-L76 HydrophobicContact CD1-CB 4.21Å; Y32-L76 WeakPolarHBondContact CD1-O 3.44Å; Y32-L76 HydrophobicContact CD2-CB 4.02Å; Y32-L76 HydrophobicContact CD2-CD1 4.11Å; Y32-L76 HydrophobicContact CE1-CB 3.63Å; Y32-L76 WeakPolarHBondContact CE1-O 3.23Å; Y32-L76 HydrophobicContact CE2-CB 3.46Å; Y32-L76 VanDerWaalsContact CE2-CB 3.46Å; Y32-L76 HydrophobicContact CE2-CD1 3.24Å; Y32-L76 HydrophobicContact CE2-CG 3.93Å; Y32-L76 HydrophobicContact CG-CB 4.38Å; Y32-L76 PolarHBondContact O-N 2.93Å; Y32-L76 WeakPolarHBondContact OH-CB 3.47Å; Y32-I78 HydrophobicContact CE1-CG1 4.16Å; Y32-V116 HydrophobicContact CD2-CG2 4.49Å; Y32-V116 HydrophobicContact CE2-CG2 3.6Å; Y32-L135 HydrophobicContact CD2-CD1 3.82Å; Y32-L135 HydrophobicContact CG-CD1 4.45Å; Y32-Q136 CarbonylContact C-O 3.38Å; Y32-Q136 WeakPolarHBondContact CA-O 3.05Å
33S48.3Very low45.7Very low20 Ų2054.8 Ų54.814%0.1431%0.307CS..EExtended strand (participates in β ladder)trans-117.6127178.3-65.20000110.2V74 T75 L135 Q136S33-V74 CarbonylContact C-O 3.57Å; S33-V74 WeakPolarHBondContact CA-O 3.43Å; S33-T75 PolarHBondContact OG-OG1 3.24Å; S33-L135 WeakPolarHBondContact O-CA 3.45Å; S33-Q136 PolarHBondContact N-O 2.84Å; S33-Q136 PolarHBondContact O-N 2.81Å
34V49.4Very low45.2Very low7 Ų754.7 Ų54.74%0.04231%0.307CS..EExtended strand (participates in β ladder)trans-93114.7166.1-177.70000108.1I36 F72 V74 V116 V118 L135V34-I36 HydrophobicContact CG1-CG1 4.43Å; V34-F72 VanDerWaalsContact O-O 3.11Å; V34-V74 PolarHBondContact N-O 3.42Å; V34-V74 PolarHBondContact O-N 3Å; V34-V116 HydrophobicContact CG2-CG1 3.94Å; V34-V118 HydrophobicContact CG1-CG2 4.32Å; V34-L135 HydrophobicContact CG2-CD1 4.06Å
35L49.3Very low44.6Very low35 Ų3558.7 Ų58.718%0.18332%0.324CS..EExtended strand (participates in β ladder)trans-99.7120.5169.7-168.183.5000109F72 V73 F133 Q134L35-F72 WeakPolarHBondContact CA-O 3.47Å; L35-V73 HydrophobicContact CD1-CG2 3.45Å; L35-V73 VanDerWaalsContact CD1-CG2 3.45Å; L35-F133 WeakPolarHBondContact O-CA 3.39Å; L35-Q134 HydrophobicContact CB-CB 4.2Å; L35-Q134 PolarHBondContact N-O 2.82Å; L35-Q134 PolarHBondContact O-N 2.78Å
36I50.1Low44.2Very low12 Ų1259.9 Ų59.96%0.06233%0.329CS..EExtended strand (participates in β ladder)trans-98.3119.4163.5-62.3-161000108.6V34 S71 F72 V118 V120 I131 I132 F133V34-I36 HydrophobicContact CG1-CG1 4.43Å; I36-S71 WeakPolarHBondContact O-CA 3.47Å; I36-F72 HydrophobicContact CB-CD1 3.86Å; I36-F72 HydrophobicContact CB-CE1 3.41Å; I36-F72 VanDerWaalsContact CB-CE1 3.41Å; I36-F72 HydrophobicContact CB-CE2 4.26Å; I36-F72 HydrophobicContact CB-CZ 3.69Å; I36-F72 HydrophobicContact CD1-CE1 3.36Å; I36-F72 HydrophobicContact CD1-CE2 4.03Å; I36-F72 HydrophobicContact CD1-CZ 3.05Å; I36-F72 HydrophobicContact CG1-CD1 4.31Å; I36-F72 HydrophobicContact CG1-CE1 3.48Å; I36-F72 VanDerWaalsContact CG1-CE1 3.48Å; I36-F72 HydrophobicContact CG1-CE2 3.73Å; I36-F72 HydrophobicContact CG1-CZ 3.18Å; I36-F72 HydrophobicContact CG2-CE1 4.12Å; I36-F72 PolarHBondContact N-O 2.88Å; I36-V118 HydrophobicContact CD1-CG1 3.66Å; I36-V120 HydrophobicContact CD1-CG2 3.66Å; I36-I131 HydrophobicContact CG2-CG2 3.52Å; I36-I132 WeakPolarHBondContact CA-O 3.48Å; I36-F133 HydrophobicContact CD1-CD1 3.62Å; I36-F133 HydrophobicContact CD1-CE1 3.12Å; I36-F133 HydrophobicContact CD1-CZ 3.74Å; I36-F133 HydrophobicContact CG1-CD1 3.67Å; I36-F133 HydrophobicContact CG1-CE1 3.75Å; I36-F133 HydrophobicContact CG1-CG 4.46Å
37H49.4Very low43.8Very low79 Ų7957.4 Ų57.437%0.36631%0.313SS..EExtended strand (participates in β ladder)trans-110.2129.8170.7-171.360.2000110.4I132H37-I132 HydrophobicContact CB-CB 4.44Å; H37-I132 PolarHBondContact N-O 2.84Å; H37-I132 PolarHBondContact O-N 2.99Å
38N47.5Very low43.4Very low16 Ų1653 Ų539%0.08629%0.293CS..  trans-115.1108.8170.1-173.1-16.2000108.1G40 L42 I129N38-G40 PolarHBondContact O-N 3.37Å; N38-G40 PolarHBondContact OD1-N 3.21Å; N38-L42 VanDerWaalsContact ND2-CB 3.29Å; N38-L42 WeakPolarHBondContact ND2-CB 3.04Å; N38-L42 WeakPolarHBondContact ND2-CD1 3.49Å; N38-I129 VanDerWaalsContact OD1-CG2 3.22Å; N38-I129 WeakPolarHBondContact OD1-CG2 3.34Å
39P43.1Very low43.4Very low81 Ų8150.6 Ų50.653%0.52628%0.278SS..  trans-71-7.8-179.628.1-33.2000113I129P39-I129 HydrophobicContact CG-CG2 4.28Å
40G38.8Very low43Very low26 Ų2648.3 Ų48.327%0.26826%0.26SS..SBendtrans-86.9160.6177.400000114.2N38 L42N38-G40 PolarHBondContact O-N 3.37Å; N38-G40 PolarHBondContact OD1-N 3.21Å; G40-L42 PolarHBondContact O-N 2.85Å
41K37.7Very low42.8Very low217 Ų21748.6 Ų48.694%0.94326%0.26SS*.  trans-73.647.7170.2-72.5-176.6175.5178.40112.5
42L37.1Very low42.4Very low17 Ų1748.6 Ų48.69%0.08926%0.257CS..  trans-85.3127.9179.3-102.2160000109.3N38 G40 V44 F126 I129N38-L42 VanDerWaalsContact ND2-CB 3.29Å; N38-L42 WeakPolarHBondContact ND2-CB 3.04Å; N38-L42 WeakPolarHBondContact ND2-CD1 3.49Å; G40-L42 PolarHBondContact O-N 2.85Å; L42-V44 HydrophobicContact CB-CG2 4.25Å; L42-V44 PolarHBondContact O-N 2.9Å; L42-F126 HydrophobicContact CD1-CB 3.97Å; L42-F126 HydrophobicContact CD1-CG 4.31Å; L42-F126 HydrophobicContact CD2-CB 3.76Å; L42-F126 HydrophobicContact CD2-CD1 4.26Å; L42-F126 HydrophobicContact CD2-CD2 3.36Å; L42-F126 HydrophobicContact CD2-CE2 3.99Å; L42-F126 HydrophobicContact CD2-CG 3.5Å; L42-F126 HydrophobicContact CG-CB 4.16Å; L42-F126 HydrophobicContact CG-CD1 4.3Å; L42-F126 HydrophobicContact CG-CD2 4.26Å; L42-F126 HydrophobicContact CG-CG 3.97Å; L42-I129 HydrophobicContact CD1-CB 4.45Å; L42-I129 HydrophobicContact CD1-CD1 3.68Å; L42-I129 HydrophobicContact CG-CD1 4.33Å
43Q37.5Very low41.9Very low168 Ų16849.3 Ų49.379%0.78526%0.261SS*.  trans-74.8106.5160-72.2-155.766.600106.9
44V37.6Very low41.4Very low29 Ų2951.9 Ų51.918%0.17628%0.276CS..  trans-95.1122.5178.1-150.60000106.4L42 P69L42-V44 HydrophobicContact CB-CG2 4.25Å; L42-V44 PolarHBondContact O-N 2.9Å; V44-P69 WeakPolarHBondContact CG2-O 2.88Å
45E36.2Very low40.8Very low98 Ų9853.2 Ų53.246%0.45828%0.282SS..  trans-66.3158.1170.8-121176.5178.400109.6C47 I123E45-C47 PolarHBondContact O-N 2.82Å; E45-C47 PolarHBondContact O-SG 2.99Å; E45-I123 HydrophobicContact CB-CD1 3.57Å; E45-I123 HydrophobicContact CB-CG1 3.99Å; E45-I123 HydrophobicContact CG-CD1 3.34Å; E45-I123 HydrophobicContact CG-CG1 4.21Å
46P38.6Very low40.1Very low65 Ų6559.2 Ų59.242%0.42232%0.315SS..  trans-51.9112.8177.4-2736.8000111.8S66 I67P46-S66 WeakPolarHBondContact CA-O 3.31Å; P46-S66 WeakPolarHBondContact CB-O 3.19Å; P46-I67 HydrophobicContact CG-CG2 4.32Å
47C38.5Very low39.4Very low11 Ų1166.6 Ų66.67%0.07435%0.354CS..EExtended strand (participates in β ladder)trans-78.9127.2-178.6-28.20000108E45 S65 S66 F72E45-C47 PolarHBondContact O-N 2.82Å; E45-C47 PolarHBondContact O-SG 2.99Å; C47-S65 WeakPolarHBondContact O-CA 3.46Å; C47-S66 PolarHBondContact O-N 3.33Å; C47-F72 HydrophobicContact CB-CE1 3.98Å; C47-F72 HydrophobicContact CB-CZ 4.35Å; C47-F72 VanDerWaalsContact SG-CE1 3.55Å
48S40Very low38.5Very low42 Ų4264.8 Ų64.829%0.29435%0.35SS..EExtended strand (participates in β ladder)trans-83.7115.6167.351.90000109.8D50 N63 Y64S48-D50 PolarHBondContact O-N 3.16Å; S48-N63 WeakPolarHBondContact CB-OD1 3.33Å; S48-Y64 CarbonylContact C-O 3.59Å; S48-Y64 WeakPolarHBondContact CA-O 3.32Å
49V41.7Very low38.2Very low2 Ų267.9 Ų67.91%0.01237%0.37CS..EExtended strand (participates in β ladder)trans-87.2102.6168.8-177.40000107.4N63 Y64 F72 V74 E117 V118V49-N63 WeakPolarHBondContact O-CA 3.36Å; V49-Y64 PolarHBondContact N-O 3.4Å; V49-Y64 PolarHBondContact O-N 2.83Å; V49-F72 HydrophobicContact CG2-CE2 3.95Å; V49-F72 HydrophobicContact CG2-CZ 4.17Å; V49-V74 HydrophobicContact CG2-CG2 3.93Å; V49-E117 WeakPolarHBondContact CG1-O 3.35Å; V49-V118 HydrophobicContact CG1-CG2 4.35Å; V49-V118 HydrophobicContact CG2-CG1 4.16Å
50D41.3Very low38Very low26 Ų2667.3 Ų67.314%0.13936%0.359CS..EExtended strand (participates in β ladder)trans-84118.6166.3-72.3-42.4000107.5S48 M62 N63 E117 R119S48-D50 PolarHBondContact O-N 3.16Å; D50-M62 CarbonylContact C-O 3.6Å; D50-M62 VanDerWaalsContact CA-O 3.3Å; D50-M62 WeakPolarHBondContact CA-O 3.46Å; D50-N63 VanDerWaalsContact OD1-CB 3.24Å; D50-N63 WeakPolarHBondContact OD1-CB 3.45Å; D50-N63 PolarHBondContact OD1-ND2 2.89Å; D50-E117 CarbonylContact O-C 3.53Å; D50-E117 WeakPolarHBondContact O-CB 3.43Å; D50-R119 WeakPolarHBondContact OD2-CD 3.31Å; D50-R119 IonicContact OD2-CZ 3.16Å; D50-R119 IonicContact OD2-NE 2.71Å; D50-R119 IonicContact OD2-NH1 3.51Å; D50-R119 PolarHBondContact OD2-NH1 2.83Å
51Y41.3Very low38.2Very low12 Ų1272.1 Ų72.15%0.04738%0.379CS..EExtended strand (participates in β ladder)trans-120.4145.9173.961.7-85.4000111.9M62 L76Y51-M62 HydrophobicContact CD1-CB 3.95Å; Y51-M62 WeakPolarHBondContact CD1-O 3.2Å; Y51-M62 HydrophobicContact CD2-CB 4.21Å; Y51-M62 HydrophobicContact CE1-CB 3.36Å; Y51-M62 HydrophobicContact CE1-CG 4.4Å; Y51-M62 HydrophobicContact CE2-CB 3.66Å; Y51-M62 HydrophobicContact CE2-CE 3.93Å; Y51-M62 HydrophobicContact CE2-CG 3.95Å; Y51-M62 HydrophobicContact CG-CB 4.36Å; Y51-M62 PolarHBondContact N-O 2.87Å; Y51-M62 PolarHBondContact O-N 3Å; Y51-M62 WeakPolarHBondContact OH-CB 3.37Å; Y51-M62 WeakPolarHBondContact OH-CE 3.39Å; Y51-M62 PolarHBondContact OH-SD 2.9Å; Y51-M62 VanDerWaalsContact OH-SD 3.33Å; Y51-L76 HydrophobicContact CD1-CD2 3.85Å; Y51-L76 HydrophobicContact CD2-CD2 4.41Å; Y51-L76 HydrophobicContact CE1-CD2 3.36Å; Y51-L76 HydrophobicContact CE2-CD2 3.98Å; Y51-L76 HydrophobicContact CG-CD2 4.33Å; Y51-L76 VanDerWaalsContact CZ-CD2 3.41Å
52L38.7Very low38.3Very low54 Ų5465.4 Ų65.428%0.28335%0.351SS..EExtended strand (participates in β ladder)trans-10793.1-177.1-157.5100.7000108.8T54 T59 N61L52-T54 PolarHBondContact O-N 2.89Å; L52-T59 HydrophobicContact CD1-CG2 3.4Å; L52-T59 VanDerWaalsContact CD1-CG2 3.4Å; L52-T59 HydrophobicContact CD2-CG2 3.38Å; L52-T59 HydrophobicContact CG-CG2 3.21Å; L52-N61 WeakPolarHBondContact CD1-OD1 3.04Å
53L38.6Very low38.6Very low18 Ų1869.4 Ų69.49%0.09437%0.373CS..EExtended strand (participates in β ladder)trans-79.2114.3175.3-15397.7000108.4T59 K60L53-T59 WeakPolarHBondContact O-CA 2.95Å; L53-K60 PolarHBondContact N-O 3.07Å; L53-K60 PolarHBondContact O-N 2.79Å
54T37Very low38.9Very low74 Ų7463.4 Ų63.445%0.45434%0.343SS..EExtended strand (participates in β ladder)trans-104.8114.5175.9-46.60000109.1L52 S58L52-T54 PolarHBondContact O-N 2.89Å; T54-S58 CarbonylContact C-O 3.49Å; T54-S58 WeakPolarHBondContact CA-O 3.21Å
55E37Very low39Very low35 Ų3565.3 Ų65.316%0.16436%0.358CS..EExtended strand (participates in β ladder)trans-137.7119.7-177.7-164.2168.3-142.500109.3N57 S58 S80 K100E55-N57 PolarHBondContact O-N 2.94Å; E55-S58 PolarHBondContact N-O 2.66Å; E55-S58 WeakPolarHBondContact O-CB 3.28Å; E55-S58 PolarHBondContact O-N 3.23Å; E55-S80 VanDerWaalsContact OE2-CA 3.27Å; E55-S80 WeakPolarHBondContact OE2-CA 3.45Å; E55-S80 WeakPolarHBondContact OE2-CB 3.43Å; E55-K100 VanDerWaalsContact OE1-CE 3.25Å; E55-K100 WeakPolarHBondContact OE1-CE 3.38Å; E55-K100 IonicContact OE1-NZ 2.86Å; E55-K100 PolarHBondContact OE1-NZ 3.17Å
56N34Very low39.4Very low162 Ų16261.6 Ų61.687%0.86634%0.343SS*.THydrogen-bonded Turntrans47.352.3-177.7-67.2-16.8000113.9S58N56-S58 PolarHBondContact O-N 3.38Å; N56-S58 VanDerWaalsContact O-N 3.14Å
57N35.4Very low39.3Very low166 Ų16664.6 Ų64.689%0.88835%0.354SS*.THydrogen-bonded Turntrans62.79-176.8-61.1-17.3000115.9E55E55-N57 PolarHBondContact O-N 2.94Å
58S31.1Very low39.2Very low41 Ų4168.2 Ų68.229%0.28738%0.376SS..EExtended strand (participates in β ladder)trans-102134.4172.8-178.40000110.3T54 E55 N56T54-S58 CarbonylContact C-O 3.49Å; T54-S58 WeakPolarHBondContact CA-O 3.21Å; E55-S58 PolarHBondContact N-O 2.66Å; E55-S58 WeakPolarHBondContact O-CB 3.28Å; E55-S58 PolarHBondContact O-N 3.23Å; N56-S58 PolarHBondContact O-N 3.38Å; N56-S58 VanDerWaalsContact O-N 3.14Å
59T40.7Very low39.2Very low81 Ų8169 Ų6950%0.49738%0.38SS..EExtended strand (participates in β ladder)trans-115120.8-175.6-53.20000109.8L52 L53L52-T59 HydrophobicContact CD1-CG2 3.4Å; L52-T59 VanDerWaalsContact CD1-CG2 3.4Å; L52-T59 HydrophobicContact CD2-CG2 3.38Å; L52-T59 HydrophobicContact CG-CG2 3.21Å; L53-T59 WeakPolarHBondContact O-CA 2.95Å
60K39.8Very low38.8Very low70 Ų7072.4 Ų72.430%0.30440%0.404SS..EExtended strand (participates in β ladder)trans-113.9125.5175.5-72.1-169.2171.2-165.90111.6L53 M81L53-K60 PolarHBondContact N-O 3.07Å; L53-K60 PolarHBondContact O-N 2.79Å; K60-M81 HydrophobicContact CD-CG 4.5Å
61N42Very low38.6Very low126 Ų12673.9 Ų73.967%0.67442%0.416SS*.EExtended strand (participates in β ladder)trans-86.5128.1169.3-86.3-31.9000109.9L52L52-N61 WeakPolarHBondContact CD1-OD1 3.04Å
62M40.8Very low38.6Very low76 Ų7674 Ų7437%0.37442%0.417SS..EExtended strand (participates in β ladder)trans-131.3133.9171.8-69.3-130.1-112.900108.7D50 Y51D50-M62 CarbonylContact C-O 3.6Å; D50-M62 VanDerWaalsContact CA-O 3.3Å; D50-M62 WeakPolarHBondContact CA-O 3.46Å; Y51-M62 HydrophobicContact CD1-CB 3.95Å; Y51-M62 WeakPolarHBondContact CD1-O 3.2Å; Y51-M62 HydrophobicContact CD2-CB 4.21Å; Y51-M62 HydrophobicContact CE1-CB 3.36Å; Y51-M62 HydrophobicContact CE1-CG 4.4Å; Y51-M62 HydrophobicContact CE2-CB 3.66Å; Y51-M62 HydrophobicContact CE2-CE 3.93Å; Y51-M62 HydrophobicContact CE2-CG 3.95Å; Y51-M62 HydrophobicContact CG-CB 4.36Å; Y51-M62 PolarHBondContact N-O 2.87Å; Y51-M62 PolarHBondContact O-N 3Å; Y51-M62 WeakPolarHBondContact OH-CB 3.37Å; Y51-M62 WeakPolarHBondContact OH-CE 3.39Å; Y51-M62 PolarHBondContact OH-SD 2.9Å; Y51-M62 VanDerWaalsContact OH-SD 3.33Å
63N42.6Very low38.5Very low101 Ų10175.1 Ų75.154%0.5443%0.426SS..EExtended strand (participates in β ladder)trans-115.9127.4-177.2-171.7-44.8000109.4S48 V49 D50S48-N63 WeakPolarHBondContact CB-OD1 3.33Å; V49-N63 WeakPolarHBondContact O-CA 3.36Å; D50-N63 VanDerWaalsContact OD1-CB 3.24Å; D50-N63 WeakPolarHBondContact OD1-CB 3.45Å; D50-N63 PolarHBondContact OD1-ND2 2.89Å
64Y44.9Very low38.5Very low42 Ų4274.6 Ų74.617%0.16542%0.423CS..EExtended strand (participates in β ladder)trans-129.6120.4-178.5-175.9-93.8000112.3S48 V49 V74 P94 V96S48-Y64 CarbonylContact C-O 3.59Å; S48-Y64 WeakPolarHBondContact CA-O 3.32Å; V49-Y64 PolarHBondContact N-O 3.4Å; V49-Y64 PolarHBondContact O-N 2.83Å; Y64-V74 HydrophobicContact CD1-CG1 4.2Å; Y64-V74 HydrophobicContact CD1-CG2 4.14Å; Y64-V74 HydrophobicContact CE1-CG2 4.3Å; Y64-P94 HydrophobicContact CE2-CB 3.68Å; Y64-P94 HydrophobicContact CE2-CG 4.3Å; Y64-P94 WeakPolarHBondContact OH-CB 3.16Å; Y64-P94 WeakPolarHBondContact OH-CG 3.22Å; Y64-V96 HydrophobicContact CD2-CG2 3.99Å; Y64-V96 HydrophobicContact CE2-CG2 3.47Å; Y64-V96 VanDerWaalsContact CE2-CG2 3.47Å
65S39.5Very low38.4Very low70 Ų7073.6 Ų73.649%0.4942%0.417SS..EExtended strand (participates in β ladder)trans-106.6125.8179.740.30000112.6C47C47-S65 WeakPolarHBondContact O-CA 3.46Å
66S43.1Very low38.4Very low19 Ų1972.1 Ų72.113%0.13341%0.41CS..EExtended strand (participates in β ladder)trans-109.4133.2-179.7176.30000112.8P46 C47 F72P46-S66 WeakPolarHBondContact CA-O 3.31Å; P46-S66 WeakPolarHBondContact CB-O 3.19Å; C47-S66 PolarHBondContact O-N 3.33Å; S66-F72 WeakPolarHBondContact OG-CB 3.2Å
67I37.9Very low38.3Very low128 Ų12865.3 Ų65.366%0.65638%0.375SS*.  trans-95.312.2-169-43.2166.3000114.1P46P46-I67 HydrophobicContact CG-CG2 4.32Å
68V36.4Very low38.2Very low87 Ų8758.7 Ų58.753%0.52734%0.34SS..  trans-114.6122.4-174.8-164.50000112.6S70V68-S70 PolarHBondContact O-N 3.02Å
69P39.9Very low38.1Very low60 Ų6058.6 Ų58.639%0.3934%0.337SS..SBendtrans-80.1-2.7-165.728.4-34000116.5V44V44-P69 WeakPolarHBondContact CG2-O 2.88Å
70S33.6Very low37.6Very low73 Ų7357.4 Ų57.451%0.5133%0.332SS..SBendtrans-115.8-19.9-173.2510000115.5V68V68-S70 PolarHBondContact O-N 3.02Å
71S35.7Very low37Very low57 Ų5758.7 Ų58.740%0.39934%0.34SS..EExtended strand (participates in β ladder)trans-169.8133176.452.60000108.8I36I36-S71 WeakPolarHBondContact O-CA 3.47Å
72F40.8Very low36.1Very low13 Ų1359 Ų596%0.05735%0.347CS..EExtended strand (participates in β ladder)trans-122.5138.7168.767.4-104.5000109.7V34 L35 I36 C47 V49 S66 V74 V118V34-F72 VanDerWaalsContact O-O 3.11Å; L35-F72 WeakPolarHBondContact CA-O 3.47Å; I36-F72 HydrophobicContact CB-CD1 3.86Å; I36-F72 HydrophobicContact CB-CE1 3.41Å; I36-F72 VanDerWaalsContact CB-CE1 3.41Å; I36-F72 HydrophobicContact CB-CE2 4.26Å; I36-F72 HydrophobicContact CB-CZ 3.69Å; I36-F72 HydrophobicContact CD1-CE1 3.36Å; I36-F72 HydrophobicContact CD1-CE2 4.03Å; I36-F72 HydrophobicContact CD1-CZ 3.05Å; I36-F72 HydrophobicContact CG1-CD1 4.31Å; I36-F72 HydrophobicContact CG1-CE1 3.48Å; I36-F72 VanDerWaalsContact CG1-CE1 3.48Å; I36-F72 HydrophobicContact CG1-CE2 3.73Å; I36-F72 HydrophobicContact CG1-CZ 3.18Å; I36-F72 HydrophobicContact CG2-CE1 4.12Å; I36-F72 PolarHBondContact N-O 2.88Å; C47-F72 HydrophobicContact CB-CE1 3.98Å; C47-F72 HydrophobicContact CB-CZ 4.35Å; C47-F72 VanDerWaalsContact SG-CE1 3.55Å; V49-F72 HydrophobicContact CG2-CE2 3.95Å; V49-F72 HydrophobicContact CG2-CZ 4.17Å; S66-F72 WeakPolarHBondContact OG-CB 3.2Å; F72-V74 HydrophobicContact CD2-CG2 3.54Å; F72-V74 HydrophobicContact CE2-CG2 3.66Å; F72-V118 HydrophobicContact CZ-CG1 4.22Å
73V37.1Very low35.3Very low79 Ų7963.1 Ų63.148%0.47937%0.365SS..EExtended strand (participates in β ladder)trans-110110.1174.2179.40000106.3L35L35-V73 HydrophobicContact CD1-CG2 3.45Å; L35-V73 VanDerWaalsContact CD1-CG2 3.45Å
74V38.1Very low34.6Very low6 Ų664.1 Ų64.14%0.03638%0.377CS..EExtended strand (participates in β ladder)trans-98.3100.4169.9-166.50000108.3S33 V34 V49 Y64 F72 L76S33-V74 CarbonylContact C-O 3.57Å; S33-V74 WeakPolarHBondContact CA-O 3.43Å; V34-V74 PolarHBondContact N-O 3.42Å; V34-V74 PolarHBondContact O-N 3Å; V49-V74 HydrophobicContact CG2-CG2 3.93Å; Y64-V74 HydrophobicContact CD1-CG1 4.2Å; Y64-V74 HydrophobicContact CD1-CG2 4.14Å; Y64-V74 HydrophobicContact CE1-CG2 4.3Å; F72-V74 HydrophobicContact CD2-CG2 3.54Å; F72-V74 HydrophobicContact CE2-CG2 3.66Å; V74-L76 HydrophobicContact CG1-CD1 4.14Å; V74-L76 HydrophobicContact CG1-CD2 3.93Å; V74-L76 HydrophobicContact CG1-CG 3.76Å
75T35.5Very low33.6Very low54 Ų5470 Ų7033%0.33141%0.409SS..EExtended strand (participates in β ladder)trans-82.7115.2170.8-55.30000108.7T31 Y32 S33 P77T31-T75 HydrophobicContact CG2-CG2 4.26Å; Y32-T75 CarbonylContact O-C 3.48Å; Y32-T75 VanDerWaalsContact O-CA 3.31Å; Y32-T75 WeakPolarHBondContact O-CA 3.33Å; S33-T75 PolarHBondContact OG-OG1 3.24Å; T75-P77 VanDerWaalsContact O-CD 3.31Å; T75-P77 WeakPolarHBondContact O-CD 3.24Å
76L36.5Very low32.9Very low3 Ų375.5 Ų75.52%0.01643%0.425CS..EExtended strand (participates in β ladder)trans-11399-176.3-71161.8000108.9Y32 Y51 V74 V116Y32-L76 HydrophobicContact CD1-CB 4.21Å; Y32-L76 WeakPolarHBondContact CD1-O 3.44Å; Y32-L76 HydrophobicContact CD2-CB 4.02Å; Y32-L76 HydrophobicContact CD2-CD1 4.11Å; Y32-L76 HydrophobicContact CE1-CB 3.63Å; Y32-L76 WeakPolarHBondContact CE1-O 3.23Å; Y32-L76 HydrophobicContact CE2-CB 3.46Å; Y32-L76 VanDerWaalsContact CE2-CB 3.46Å; Y32-L76 HydrophobicContact CE2-CD1 3.24Å; Y32-L76 HydrophobicContact CE2-CG 3.93Å; Y32-L76 HydrophobicContact CG-CB 4.38Å; Y32-L76 PolarHBondContact O-N 2.93Å; Y32-L76 WeakPolarHBondContact OH-CB 3.47Å; Y51-L76 HydrophobicContact CD1-CD2 3.85Å; Y51-L76 HydrophobicContact CD2-CD2 4.41Å; Y51-L76 HydrophobicContact CE1-CD2 3.36Å; Y51-L76 HydrophobicContact CE2-CD2 3.98Å; Y51-L76 HydrophobicContact CG-CD2 4.33Å; Y51-L76 VanDerWaalsContact CZ-CD2 3.41Å; V74-L76 HydrophobicContact CG1-CD1 4.14Å; V74-L76 HydrophobicContact CG1-CD2 3.93Å; V74-L76 HydrophobicContact CG1-CG 3.76Å; L76-V116 HydrophobicContact CD1-CG1 4.22Å
77P32.8Very low32.3Very low19 Ų1981.5 Ų81.512%0.12345%0.454CS..EExtended strand (participates in β ladder)trans-78.1148.4167.1-0.18000110.2T75 I98T75-P77 VanDerWaalsContact O-CD 3.31Å; T75-P77 WeakPolarHBondContact O-CD 3.24Å; P77-I98 HydrophobicContact CB-CB 3.52Å; P77-I98 HydrophobicContact CB-CG1 4.37Å; P77-I98 HydrophobicContact CB-CG2 4.36Å; P77-I98 WeakPolarHBondContact CB-O 3.47Å; P77-I98 VanDerWaalsContact CD-CD1 3.47Å; P77-I98 HydrophobicContact CG-CB 3.39Å; P77-I98 HydrophobicContact CG-CD1 4.27Å; P77-I98 HydrophobicContact CG-CG1 3.76Å; P77-I98 WeakPolarHBondContact CG-O 3.46Å; P77-I98 WeakPolarHBondContact O-CB 3.16Å; P77-I98 WeakPolarHBondContact O-CD1 3.06Å; P77-I98 WeakPolarHBondContact O-CG2 3.26Å
78I33.2Very low31.9Very low28 Ų2882.1 Ų82.114%0.14446%0.464CS..  trans-82140.3177.9-49-179.6000106.5Y32 K100Y32-I78 HydrophobicContact CE1-CG1 4.16Å; I78-K100 HydrophobicContact CB-CD 3.84Å; I78-K100 HydrophobicContact CG2-CD 3.44Å; I78-K100 VanDerWaalsContact CG2-CD 3.44Å; I78-K100 WeakPolarHBondContact O-CA 3.19Å; I78-K100 WeakPolarHBondContact O-CB 3.15Å; I78-K100 PolarHBondContact O-N 2.95Å; I78-K100 VanDerWaalsContact O-N 3.14Å
79T29.8Very low31.5Very low38 Ų3883.7 Ų83.723%0.23348%0.476CS..  trans-166.8140.2158169.70000116.7I98 E99T79-I98 HydrophobicContact CG2-CB 3.97Å; T79-I98 HydrophobicContact CG2-CG2 3.01Å; T79-E99 WeakPolarHBondContact CB-O 3.32Å; T79-E99 WeakPolarHBondContact CG2-O 3.49Å; T79-E99 PolarHBondContact OG1-O 3.31Å
80S30Very low30.9Very low56 Ų5687 Ų8739%0.39250%0.495SS..  trans-81.9112.1-179.7168.20000113.5E55E55-S80 VanDerWaalsContact OE2-CA 3.27Å; E55-S80 WeakPolarHBondContact OE2-CA 3.45Å; E55-S80 WeakPolarHBondContact OE2-CB 3.43Å
81M25.7Very low30.6Very low97 Ų9788.6 Ų88.648%0.47850%0.503SS..  trans48.6111.1143.2-50.8-147.9-85.300124K60K60-M81 HydrophobicContact CD-CG 4.5Å
82V24Very low30.1Very low133 Ų13395.7 Ų95.781%0.80653%0.527SS*.  -146.8133.7123.9-179.50000111.9
83Q24.4Very low29.4Very low163 Ų163100.3 Ų100.376%0.76256%0.556SS**  trans30.1136.3158.8-143.7161.6-2.400124
84P26.6Very low28.9Very low121 Ų12199.6 Ų99.679%0.78655%0.553SS**  trans-76.5137.2175.632.2-32.6000111.5
85I25.2Very low28.2Very low165 Ų165105.1 Ų105.185%0.84659%0.587SS**  trans-128.6138.3166.8-53.1178.9000110
86F24.6Very low27.9Very low187 Ų187105.4 Ų105.482%0.8259%0.588SS**  trans-69.6144.2-174-101.6-105.1000114.6
87I31.1Very low27.4Very low144 Ų144111 Ų11174%0.73862%0.623SS**  trans35.4118.915038.7174.1000120.9
88T28.1Very low27.3Very low141 Ų141111.4 Ų111.487%0.86562%0.624SS**  trans-176.3164.6132.822.70000110.7
89P29.3Very low26.9Very low120 Ų120117.6 Ų117.678%0.77965%0.652SS**PPolyproline II helixtrans-79152.8-144.531.6-34.7000115.8
90V27Very low27.4Very low130 Ų130119 Ų11979%0.78866%0.655SS**PPolyproline II helixtrans-52.2121.9-173.5-173.90000113.1
91P26.4Very low27.2Very low106 Ų106121.8 Ų121.869%0.68867%0.669SS**PPolyproline II helixtrans-80.1149.2170.331.3-29.5000111.5T93P91-T93 VanDerWaalsContact C-N 3.26Å; P91-T93 PolarHBondContact O-N 3.03Å
92K26.5Very low27.6Very low207 Ų207120.4 Ų120.490%0.966%0.662SS**SBendtrans-71.58.4-166.1-84.7-179.7175176.90117.8
93T25Very low27.8Very low110 Ų110118.1 Ų118.168%0.67565%0.65SS**SBendtrans-156.4123.9170.6-28.80000108.1P91 V95P91-T93 VanDerWaalsContact C-N 3.26Å; P91-T93 PolarHBondContact O-N 3.03Å; T93-V95 PolarHBondContact O-N 2.79Å
94P26.5Very low28.2Very low64 Ų64122.8 Ų122.842%0.41666%0.66SS.*  trans-85.6109.7179.932.7-31.3000109.7Y64Y64-P94 HydrophobicContact CE2-CB 3.68Å; Y64-P94 HydrophobicContact CE2-CG 4.3Å; Y64-P94 WeakPolarHBondContact OH-CB 3.16Å; Y64-P94 WeakPolarHBondContact OH-CG 3.22Å
95V24.4Very low28.6Very low122 Ų122122.4 Ų122.474%0.73966%0.66SS**  trans-106.8116.2160.3177.60000105.5T93T93-V95 PolarHBondContact O-N 2.79Å
96V29.3Very low29.1Very low60 Ų60117.4 Ų117.436%0.36464%0.64SS.*  trans-110112-179.7175.20000108.6Y64 I98Y64-V96 HydrophobicContact CD2-CG2 3.99Å; Y64-V96 HydrophobicContact CE2-CG2 3.47Å; Y64-V96 VanDerWaalsContact CE2-CG2 3.47Å; V96-I98 HydrophobicContact CG1-CD1 3.61Å; V96-I98 HydrophobicContact CG1-CG1 3.54Å
97T25.2Very low29.8Very low120 Ų120116.7 Ų116.774%0.73664%0.64SS**  trans-101.7126.3173.8-39.90000107.8
98I31.3Very low30.2Very low28 Ų28115 Ų11514%0.14464%0.637CS.*  trans-130.5123.8179.8-40.6177.9000104P77 T79 V96P77-I98 HydrophobicContact CB-CB 3.52Å; P77-I98 HydrophobicContact CB-CG1 4.37Å; P77-I98 HydrophobicContact CB-CG2 4.36Å; P77-I98 WeakPolarHBondContact CB-O 3.47Å; P77-I98 VanDerWaalsContact CD-CD1 3.47Å; P77-I98 HydrophobicContact CG-CB 3.39Å; P77-I98 HydrophobicContact CG-CD1 4.27Å; P77-I98 HydrophobicContact CG-CG1 3.76Å; P77-I98 WeakPolarHBondContact CG-O 3.46Å; P77-I98 WeakPolarHBondContact O-CB 3.16Å; P77-I98 WeakPolarHBondContact O-CD1 3.06Å; P77-I98 WeakPolarHBondContact O-CG2 3.26Å; T79-I98 HydrophobicContact CG2-CB 3.97Å; T79-I98 HydrophobicContact CG2-CG2 3.01Å; V96-I98 HydrophobicContact CG1-CD1 3.61Å; V96-I98 HydrophobicContact CG1-CG1 3.54Å
99E24.6Very low30.9Very low158 Ų158111.2 Ų111.274%0.73862%0.621SS**  trans-113.9104.7-176-76.2-171.1143.200113.8T79T79-E99 WeakPolarHBondContact CB-O 3.32Å; T79-E99 WeakPolarHBondContact CG2-O 3.49Å; T79-E99 PolarHBondContact OG1-O 3.31Å
100K39.9Very low31.7Very low67 Ų67108.5 Ų108.529%0.29160%0.602SS.*PPolyproline II helixtrans-81132.2178.7-161.8145.8155.8170.10112.5E55 I78E55-K100 VanDerWaalsContact OE1-CE 3.25Å; E55-K100 WeakPolarHBondContact OE1-CE 3.38Å; E55-K100 IonicContact OE1-NZ 2.86Å; E55-K100 PolarHBondContact OE1-NZ 3.17Å; I78-K100 HydrophobicContact CB-CD 3.84Å; I78-K100 HydrophobicContact CG2-CD 3.44Å; I78-K100 VanDerWaalsContact CG2-CD 3.44Å; I78-K100 WeakPolarHBondContact O-CA 3.19Å; I78-K100 WeakPolarHBondContact O-CB 3.15Å; I78-K100 PolarHBondContact O-N 2.95Å; I78-K100 VanDerWaalsContact O-N 3.14Å
101V27.1Very low32.4Very low115 Ų115106.8 Ų106.870%0.69759%0.588SS**PPolyproline II helixtrans-95.7126163.3-176.20000109.6
102E32.9Very low33.2Very low67 Ų67105 Ų10531%0.31357%0.57SS.*PPolyproline II helixtrans-81.5155.7172.4-98.9-175.7169.300112.9N27N27-E102 WeakPolarHBondContact CA-OE1 3.3Å; N27-E102 WeakPolarHBondContact CA-OE2 3.47Å; N27-E102 PolarHBondContact N-OE1 2.88Å; N27-E102 PolarHBondContact N-OE2 2.87Å; N27-E102 PolarHBondContact OD1-OE2 2.79Å; N27-E102 VanDerWaalsContact OD1-OE2 3.14Å
103P28.3Very low33.9Very low86 Ų8699 Ų9956%0.55855%0.554SS**PPolyproline II helixtrans-77.1132.4166.331.2-27.1000109.9S105P103-S105 PolarHBondContact O-N 2.78Å
104R33.3Very low34.9Very low260 Ų26094.5 Ų94.598%0.98153%0.527SS*.THydrogen-bonded Turntrans-60.521.3-174.5-77.2-175.5173.2176.7-1.4117
105S35.3Very low35.8Very low113 Ų11393.3 Ų93.379%0.7952%0.518SS*.THydrogen-bonded Turntrans-163.816.9-177.756.30000118.5P103 Q107P103-S105 PolarHBondContact O-N 2.78Å; S105-Q107 PolarHBondContact O-N 2.71Å
106S35.2Very low36.8Very low60 Ų6087.6 Ų87.642%0.4248%0.483SS..PPolyproline II helixtrans-81.1122.6177.847.30000113
107Q38.1Very low37.6Very low173 Ų17386.2 Ų86.281%0.80847%0.473SS*.PPolyproline II helixtrans-47159.8172.2-87.6173.4-24.200114.5S105S105-Q107 PolarHBondContact O-N 2.71Å
108P39.6Very low38.6Very low107 Ų10780.5 Ų80.570%0.69544%0.438SS*.SBendtrans-73.3136.8-162.431-33.1000111.6P26P26-P108 HydrophobicContact CG-CB 4.1Å
109A43.3Very low39.3Very low63 Ų6383.8 Ų83.852%0.52145%0.448SS..  trans69.574.4-179.500000115.3T23T23-A109 HydrophobicContact CG2-CB 4.36Å
110V46.8Very low40.2Very low62 Ų6276.7 Ų76.738%0.37642%0.416SS..  trans-82.3126.3163.3-171.20000108.2F112V110-F112 HydrophobicContact CB-CE1 4.26Å; V110-F112 HydrophobicContact CB-CE2 3.91Å; V110-F112 HydrophobicContact CB-CZ 3.68Å; V110-F112 HydrophobicContact CG1-CE1 4.01Å; V110-F112 HydrophobicContact CG1-CE2 4.43Å; V110-F112 HydrophobicContact CG1-CZ 3.96Å; V110-F112 WeakPolarHBondContact O-CD2 3.24Å; V110-F112 WeakPolarHBondContact O-CE2 3.43Å
111N41.8Very low40.4Very low95 Ų9576.8 Ų76.851%0.50842%0.416SS..EExtended strand (participates in β ladder)trans-78.4124.9173.8-70-31.5000109.2T23 I145T23-N111 PolarHBondContact OG1-OD1 3.31Å; N111-I145 HydrophobicContact CB-CD1 4.15Å
112F43.8Very low41.1Very low67 Ų6772.8 Ų72.829%0.29439%0.389SS..EExtended strand (participates in β ladder)trans-106.8138.9-179.8-60.7-80.2000110.1Q21 L22 V24 V110Q21-F112 CarbonylContact C-O 3.56Å; Q21-F112 VanDerWaalsContact CA-O 3.32Å; Q21-F112 WeakPolarHBondContact CA-O 2.99Å; Q21-F112 WeakPolarHBondContact CG-O 3.08Å; L22-F112 PolarHBondContact N-O 2.86Å; L22-F112 WeakPolarHBondContact O-CA 3.22Å; L22-F112 PolarHBondContact O-N 3.34Å; V24-F112 HydrophobicContact CB-CD2 4.09Å; V24-F112 HydrophobicContact CB-CE2 4.09Å; V24-F112 HydrophobicContact CG2-CD2 3.8Å; V24-F112 HydrophobicContact CG2-CE2 4.28Å; V110-F112 HydrophobicContact CB-CE1 4.26Å; V110-F112 HydrophobicContact CB-CE2 3.91Å; V110-F112 HydrophobicContact CB-CZ 3.68Å; V110-F112 HydrophobicContact CG1-CE1 4.01Å; V110-F112 HydrophobicContact CG1-CE2 4.43Å; V110-F112 HydrophobicContact CG1-CZ 3.96Å; V110-F112 WeakPolarHBondContact O-CD2 3.24Å; V110-F112 WeakPolarHBondContact O-CE2 3.43Å
113S40.6Very low41.4Very low81 Ų8172.5 Ų72.557%0.56639%0.389SS*.EExtended strand (participates in β ladder)trans-120.6131172.9-167.60000108.9
114T46.6Very low41.9Very low17 Ų1776.3 Ų76.310%0.10440%0.397CS..EExtended strand (participates in β ladder)trans-127.1148.3173.1-170.80000109.7V20 V116V20-T114 HydrophobicContact CB-CG2 4.11Å; V20-T114 PolarHBondContact N-O 3.22Å; V20-T114 PolarHBondContact O-N 3.45Å; T114-V116 HydrophobicContact CG2-CG2 4.25Å
115V43.7Very low42Very low39 Ų3969.5 Ų69.524%0.23638%0.38CS..EExtended strand (participates in β ladder)trans-109.3116.7172.4-1790000107.1L17 N19L17-V115 HydrophobicContact CD2-CG1 4.4Å; N19-V115 VanDerWaalsContact OD1-CG1 3.28Å; N19-V115 WeakPolarHBondContact OD1-CG1 3.37Å; N19-V115 WeakPolarHBondContact OD1-CG2 3.49Å
116V47.1Very low42.1Very low1 Ų169.5 Ų69.51%0.00637%0.366CS..EExtended strand (participates in β ladder)trans-101.3103.8173.4-1700000106.8F18 Y32 V34 L76 T114 V118F18-V116 WeakPolarHBondContact CA-O 3.46Å; F18-V116 HydrophobicContact CB-CB 4.34Å; F18-V116 WeakPolarHBondContact CB-O 3.44Å; F18-V116 PolarHBondContact N-O 3.01Å; F18-V116 PolarHBondContact O-N 3.48Å; Y32-V116 HydrophobicContact CD2-CG2 4.49Å; Y32-V116 HydrophobicContact CE2-CG2 3.6Å; V34-V116 HydrophobicContact CG2-CG1 3.94Å; L76-V116 HydrophobicContact CD1-CG1 4.22Å; T114-V116 HydrophobicContact CG2-CG2 4.25Å; V116-V118 HydrophobicContact CG1-CG2 4.02Å
117E45Very low42Very low31 Ų3171.8 Ų71.815%0.14538%0.377CS..EExtended strand (participates in β ladder)trans-83.8133.4171176.2176169.500108.3L17 V49 D50 R119L17-E117 HydrophobicContact CD2-CB 3.79Å; L17-E117 HydrophobicContact CD2-CG 3.79Å; L17-E117 HydrophobicContact CG-CG 4.34Å; V49-E117 WeakPolarHBondContact CG1-O 3.35Å; D50-E117 CarbonylContact O-C 3.53Å; D50-E117 WeakPolarHBondContact O-CB 3.43Å; E117-R119 HydrophobicContact CG-CG 4.34Å; E117-R119 IonicContact OE1-CZ 2.66Å; E117-R119 IonicContact OE1-NE 2.78Å; E117-R119 PolarHBondContact OE1-NE 3.31Å; E117-R119 IonicContact OE1-NH2 3.39Å; E117-R119 PolarHBondContact OE1-NH2 2.86Å
118V46.8Very low42.3Very low0 Ų070.4 Ų70.40%037%0.366CS..EExtended strand (participates in β ladder)trans-128.9113.5177.8-171.80000109Q16 F18 V34 I36 V49 F72 V116 V120 F133Q16-V118 PolarHBondContact N-O 2.78Å; Q16-V118 CarbonylContact O-C 3.59Å; Q16-V118 PolarHBondContact O-N 3.35Å; F18-V118 HydrophobicContact CD2-CB 4.24Å; F18-V118 HydrophobicContact CD2-CG2 3.79Å; F18-V118 HydrophobicContact CE2-CB 4.01Å; F18-V118 HydrophobicContact CE2-CG2 3.96Å; V34-V118 HydrophobicContact CG1-CG2 4.32Å; I36-V118 HydrophobicContact CD1-CG1 3.66Å; V49-V118 HydrophobicContact CG1-CG2 4.35Å; V49-V118 HydrophobicContact CG2-CG1 4.16Å; F72-V118 HydrophobicContact CZ-CG1 4.22Å; V116-V118 HydrophobicContact CG1-CG2 4.02Å; V118-V120 HydrophobicContact CG1-CG2 4.13Å; V118-F133 HydrophobicContact CB-CE1 4.04Å; V118-F133 HydrophobicContact CG1-CE1 3.87Å
119R45.2Very low42.2Very low98 Ų9867.9 Ų67.937%0.3735%0.346SS..EExtended strand (participates in β ladder)trans-95.5122.2178.1-49.1-162.8163.4166.2-10.2108.7L15 D50 E117L15-R119 HydrophobicContact CD2-CB 3.91Å; L15-R119 VanDerWaalsContact CD2-CD 3.44Å; L15-R119 HydrophobicContact CD2-CG 3.36Å; D50-R119 WeakPolarHBondContact OD2-CD 3.31Å; D50-R119 IonicContact OD2-CZ 3.16Å; D50-R119 IonicContact OD2-NE 2.71Å; D50-R119 IonicContact OD2-NH1 3.51Å; D50-R119 PolarHBondContact OD2-NH1 2.83Å; E117-R119 HydrophobicContact CG-CG 4.34Å; E117-R119 IonicContact OE1-CZ 2.66Å; E117-R119 IonicContact OE1-NE 2.78Å; E117-R119 PolarHBondContact OE1-NE 3.31Å; E117-R119 IonicContact OE1-NH2 3.39Å; E117-R119 PolarHBondContact OE1-NH2 2.86Å
120V44.9Very low42.1Very low8 Ų867.7 Ų67.75%0.04834%0.34CS..EExtended strand (participates in β ladder)trans-119.7114.5176.4-169.40000108.2K14 I36 V118 F122 F133K14-V120 PolarHBondContact O-N 3.09Å; I36-V120 HydrophobicContact CD1-CG2 3.66Å; V118-V120 HydrophobicContact CG1-CG2 4.13Å; V120-F122 HydrophobicContact CB-CE2 4.15Å; V120-F122 HydrophobicContact CB-CZ 3.89Å; V120-F122 HydrophobicContact CG1-CE1 3.82Å; V120-F122 HydrophobicContact CG1-CE2 3.94Å; V120-F122 HydrophobicContact CG1-CZ 3.34Å; V120-F122 WeakPolarHBondContact O-CE2 3.07Å; V120-F133 HydrophobicContact CG2-CE1 4.35Å; V120-F133 HydrophobicContact CG2-CZ 4.08Å
121K44.1Very low42.1Very low69 Ų6966.2 Ų66.230%0.333%0.329SS..PPolyproline II helixtrans-95.5127.3175.3-169.2176179.4-1790109.4E11 E13E11-K121 VanDerWaalsContact CD-CE 3.47Å; E11-K121 IonicContact OE1-NZ 2.67Å; E11-K121 WeakPolarHBondContact OE2-CE 3.08Å; E11-K121 IonicContact OE2-NZ 3.8Å; E11-K121 PolarHBondContact OE2-NZ 3.01Å; E13-K121 HydrophobicContact CG-CG 4.49Å
122F41.9Very low42.4Very low31 Ų3163.8 Ų63.814%0.13632%0.316CS..PPolyproline II helixtrans-100.3129.8176.1-58-81.9000109.7K14 V120 I131K14-F122 HydrophobicContact CB-CE2 4.07Å; K14-F122 HydrophobicContact CD-CD2 3.98Å; K14-F122 HydrophobicContact CD-CE2 3.75Å; K14-F122 HydrophobicContact CG-CD2 4.31Å; K14-F122 HydrophobicContact CG-CE2 4.15Å; V120-F122 HydrophobicContact CB-CE2 4.15Å; V120-F122 HydrophobicContact CB-CZ 3.89Å; V120-F122 HydrophobicContact CG1-CE1 3.82Å; V120-F122 HydrophobicContact CG1-CE2 3.94Å; V120-F122 HydrophobicContact CG1-CZ 3.34Å; V120-F122 WeakPolarHBondContact O-CE2 3.07Å; F122-I131 HydrophobicContact CE1-CD1 3.39Å; F122-I131 HydrophobicContact CE2-CD1 4.2Å; F122-I131 HydrophobicContact CZ-CD1 3.06Å; F122-I131 HydrophobicContact CZ-CG1 4.46Å
123I39Very low42.8Very low61 Ų6161.6 Ų61.631%0.31331%0.306SS..PPolyproline II helixtrans-92.6117169.2-29.9171.5000107.1E45E45-I123 HydrophobicContact CB-CD1 3.57Å; E45-I123 HydrophobicContact CB-CG1 3.99Å; E45-I123 HydrophobicContact CG-CD1 3.34Å; E45-I123 HydrophobicContact CG-CG1 4.21Å
124K37.9Very low43.2Very low166 Ų16661.2 Ų61.272%0.72230%0.295SS*.SBendtrans72.5159.1178.1-66.8-178.1173.3178.10117.6F126K124-F126 VanDerWaalsContact C-N 3.28Å; K124-F126 PolarHBondContact O-N 2.77Å
125D34.8Very low43.7Very low118 Ų11862.3 Ų62.363%0.63130%0.3SS*.  trans-55.673.6-175.7-59.9-43.7000113.8V9V9-D125 WeakPolarHBondContact CG1-OD1 3.36Å
126F37.5Very low44.2Very low112 Ų11264.1 Ų64.149%0.49131%0.306SS..  trans-10196.5168-78.5-83.2000110.8L42 K124 Y128L42-F126 HydrophobicContact CD1-CB 3.97Å; L42-F126 HydrophobicContact CD1-CG 4.31Å; L42-F126 HydrophobicContact CD2-CB 3.76Å; L42-F126 HydrophobicContact CD2-CD1 4.26Å; L42-F126 HydrophobicContact CD2-CD2 3.36Å; L42-F126 HydrophobicContact CD2-CE2 3.99Å; L42-F126 HydrophobicContact CD2-CG 3.5Å; L42-F126 HydrophobicContact CG-CB 4.16Å; L42-F126 HydrophobicContact CG-CD1 4.3Å; L42-F126 HydrophobicContact CG-CD2 4.26Å; L42-F126 HydrophobicContact CG-CG 3.97Å; K124-F126 VanDerWaalsContact C-N 3.28Å; K124-F126 PolarHBondContact O-N 2.77Å; F126-Y128 PolarHBondContact O-N 3.38Å
127V34.5Very low44.5Very low108 Ų10865.4 Ų65.466%0.65531%0.314SS*.  trans-39.5112.8158.4166.70000111I129V127-I129 PolarHBondContact O-N 2.85Å; V127-I129 VanDerWaalsContact O-N 3.14Å
128Y43.1Very low45.2Very low145 Ų14566.5 Ų66.557%0.56932%0.321SS*.  trans51.337.6149-53.8-107.2000119.3F126 P130 L156F126-Y128 PolarHBondContact O-N 3.38Å; Y128-P130 WeakPolarHBondContact O-CD 3.4Å; Y128-L156 HydrophobicContact CD1-CB 4.16Å; Y128-L156 HydrophobicContact CD1-CD1 4.39Å; Y128-L156 HydrophobicContact CE1-CB 3.61Å; Y128-L156 HydrophobicContact CE1-CD1 3.62Å; Y128-L156 HydrophobicContact CE1-CD2 3.79Å; Y128-L156 HydrophobicContact CE1-CG 3.84Å; Y128-L156 HydrophobicContact CE2-CD1 4.02Å; Y128-L156 VanDerWaalsContact CZ-CD1 3.41Å; Y128-L156 WeakPolarHBondContact OH-CD1 3.46Å; Y128-L156 WeakPolarHBondContact OH-CD2 3.11Å
129I37.5Very low46Very low53 Ų5371.2 Ų71.227%0.27235%0.354SS..PPolyproline II helixtrans-87.8120.7170-61.7162000109N38 P39 L42 V127 I131N38-I129 VanDerWaalsContact OD1-CG2 3.22Å; N38-I129 WeakPolarHBondContact OD1-CG2 3.34Å; P39-I129 HydrophobicContact CG-CG2 4.28Å; L42-I129 HydrophobicContact CD1-CB 4.45Å; L42-I129 HydrophobicContact CD1-CD1 3.68Å; L42-I129 HydrophobicContact CG-CD1 4.33Å; V127-I129 PolarHBondContact O-N 2.85Å; V127-I129 VanDerWaalsContact O-N 3.14Å; I129-I131 PolarHBondContact O-N 3.05Å
130P42.1Very low46.8Very low60 Ų6071.3 Ų71.339%0.3937%0.369SS..PPolyproline II helixtrans-65132.1176.726-32.1000109.5Y128Y128-P130 WeakPolarHBondContact O-CD 3.4Å
131I45.7Very low47.5Very low31 Ų3173.4 Ų73.416%0.15938%0.379CS..PPolyproline II helixtrans-99.4125.1177-59175.2000106.6I36 F122 I129 F133I36-I131 HydrophobicContact CG2-CG2 3.52Å; F122-I131 HydrophobicContact CE1-CD1 3.39Å; F122-I131 HydrophobicContact CE2-CD1 4.2Å; F122-I131 HydrophobicContact CZ-CD1 3.06Å; F122-I131 HydrophobicContact CZ-CG1 4.46Å; I129-I131 PolarHBondContact O-N 3.05Å; I131-F133 HydrophobicContact CB-CD2 4.46Å; I131-F133 HydrophobicContact CB-CE2 3.84Å; I131-F133 HydrophobicContact CG2-CD2 3.91Å; I131-F133 HydrophobicContact CG2-CE2 3.33Å; I131-F133 HydrophobicContact CG2-CZ 3.82Å
132I49.5Very low48.1Very low44 Ų4470.3 Ų70.323%0.22637%0.366CS..EExtended strand (participates in β ladder)trans-98120.3-179-54.3176.4000107I36 H37 Q134I36-I132 WeakPolarHBondContact CA-O 3.48Å; H37-I132 HydrophobicContact CB-CB 4.44Å; H37-I132 PolarHBondContact N-O 2.84Å; H37-I132 PolarHBondContact O-N 2.99Å; I132-Q134 HydrophobicContact CG2-CG 3.94Å
133F50.9Low48.9Very low20 Ų2074.2 Ų74.29%0.08839%0.387CS..EExtended strand (participates in β ladder)trans-102.9116.8171.5-65.8-104.4000107.4Q16 F18 L35 I36 V118 V120 I131Q16-F133 HydrophobicContact CB-CZ 4.19Å; Q16-F133 HydrophobicContact CG-CZ 4.33Å; Q16-F133 VanDerWaalsContact OE1-CZ 3.25Å; F18-F133 HydrophobicContact CD2-CD1 4.46Å; F18-F133 HydrophobicContact CE1-CB 3.54Å; F18-F133 AromaticContact CE1-CD1 3.97Å; F18-F133 HydrophobicContact CE1-CD1 3.97Å; F18-F133 HydrophobicContact CE1-CD2 4.26Å; F18-F133 AromaticContact CE1-CG 3.7Å; F18-F133 HydrophobicContact CE1-CG 3.7Å; F18-F133 AromaticContact CE2-CD1 3.4Å; F18-F133 HydrophobicContact CE2-CD1 3.4Å; F18-F133 VanDerWaalsContact CE2-CD1 3.4Å; F18-F133 AromaticContact CE2-CE1 3.49Å; F18-F133 HydrophobicContact CE2-CE1 3.49Å; F18-F133 VanDerWaalsContact CE2-CE1 3.49Å; F18-F133 AromaticContact CE2-CG 3.96Å; F18-F133 HydrophobicContact CE2-CG 3.96Å; F18-F133 HydrophobicContact CE2-CZ 4.18Å; F18-F133 HydrophobicContact CZ-CB 3.58Å; F18-F133 AromaticContact CZ-CD1 3.12Å; F18-F133 HydrophobicContact CZ-CD1 3.12Å; F18-F133 AromaticContact CZ-CD2 3.61Å; F18-F133 HydrophobicContact CZ-CD2 3.61Å; F18-F133 AromaticContact CZ-CE1 3.5Å; F18-F133 HydrophobicContact CZ-CE1 3.5Å; F18-F133 HydrophobicContact CZ-CE2 4.01Å; F18-F133 AromaticContact CZ-CG 3.16Å; F18-F133 HydrophobicContact CZ-CG 3.16Å; F18-F133 AromaticContact CZ-CZ 3.95Å; F18-F133 HydrophobicContact CZ-CZ 3.95Å; L35-F133 WeakPolarHBondContact O-CA 3.39Å; I36-F133 HydrophobicContact CD1-CD1 3.62Å; I36-F133 HydrophobicContact CD1-CE1 3.12Å; I36-F133 HydrophobicContact CD1-CZ 3.74Å; I36-F133 HydrophobicContact CG1-CD1 3.67Å; I36-F133 HydrophobicContact CG1-CE1 3.75Å; I36-F133 HydrophobicContact CG1-CG 4.46Å; V118-F133 HydrophobicContact CB-CE1 4.04Å; V118-F133 HydrophobicContact CG1-CE1 3.87Å; V120-F133 HydrophobicContact CG2-CE1 4.35Å; V120-F133 HydrophobicContact CG2-CZ 4.08Å; I131-F133 HydrophobicContact CB-CD2 4.46Å; I131-F133 HydrophobicContact CB-CE2 3.84Å; I131-F133 HydrophobicContact CG2-CD2 3.91Å; I131-F133 HydrophobicContact CG2-CE2 3.33Å; I131-F133 HydrophobicContact CG2-CZ 3.82Å
134Q50.8Low50Low74 Ų7474.1 Ų74.135%0.34639%0.387SS..EExtended strand (participates in β ladder)trans-109.4124172.5-59.5-177-34.100108.6L35 I132L35-Q134 HydrophobicContact CB-CB 4.2Å; L35-Q134 PolarHBondContact N-O 2.82Å; L35-Q134 PolarHBondContact O-N 2.78Å; I132-Q134 HydrophobicContact CG2-CG 3.94Å
135L56.1Low50.9Low39 Ų3970 Ų7020%0.20437%0.372CS..EExtended strand (participates in β ladder)trans-96.3117.6167.1-176.380.4000107.7V20 Y32 S33 V34 V137 I144V20-L135 HydrophobicContact CB-CD2 4.18Å; V20-L135 HydrophobicContact CG1-CD2 3.34Å; V20-L135 HydrophobicContact CG2-CD2 3.72Å; Y32-L135 HydrophobicContact CD2-CD1 3.82Å; Y32-L135 HydrophobicContact CG-CD1 4.45Å; S33-L135 WeakPolarHBondContact O-CA 3.45Å; V34-L135 HydrophobicContact CG2-CD1 4.06Å; L135-V137 HydrophobicContact CD2-CG2 4.18Å; L135-V137 HydrophobicContact CG-CG2 4.25Å; L135-I144 HydrophobicContact CD2-CD1 3.8Å; L135-I144 HydrophobicContact CD2-CG1 4.24Å; L135-I144 HydrophobicContact CG-CD1 4.48Å
136Q54.9Low51.8Low78 Ų7872.9 Ų72.936%0.36437%0.374SS..EExtended strand (participates in β ladder)trans-105.2136.4171.3-69176.510.500108.9Y32 S33 L166Y32-Q136 CarbonylContact C-O 3.38Å; Y32-Q136 WeakPolarHBondContact CA-O 3.05Å; S33-Q136 PolarHBondContact N-O 2.84Å; S33-Q136 PolarHBondContact O-N 2.81Å; Q136-L166 HydrophobicContact CG-CD1 4.08Å
137V53.5Low52.9Low28 Ų2872.2 Ų72.217%0.1737%0.372CS..EExtended strand (participates in β ladder)trans-129.3138.6175.8-178.50000107L22 L135 S139 A142 I144L22-V137 HydrophobicContact CD2-CG1 4.41Å; L22-V137 HydrophobicContact CD2-CG2 3.82Å; L135-V137 HydrophobicContact CD2-CG2 4.18Å; L135-V137 HydrophobicContact CG-CG2 4.25Å; V137-S139 PolarHBondContact O-N 2.88Å; V137-A142 HydrophobicContact CG1-CB 3.65Å; V137-I144 HydrophobicContact CB-CD1 4.37Å; V137-I144 HydrophobicContact CB-CG1 4.22Å; V137-I144 HydrophobicContact CG2-CD1 3.73Å; V137-I144 HydrophobicContact CG2-CG1 3.6Å
138N59.9Low53.8Low53 Ų5369.5 Ų69.528%0.28336%0.358SS..  trans-66105.9173.4-175.9-6.7000109.8T31 S140 E141 A142T31-N138 PolarHBondContact O-N 2.82Å; N138-S140 PolarHBondContact O-N 2.95Å; N138-S140 VanDerWaalsContact O-N 3.11Å; N138-S140 VanDerWaalsContact OD1-CB 3.23Å; N138-S140 WeakPolarHBondContact OD1-CB 3.35Å; N138-S140 PolarHBondContact OD1-N 3.29Å; N138-S140 PolarHBondContact OD1-OG 2.86Å; N138-E141 HydrophobicContact CB-CB 4.39Å; N138-E141 WeakPolarHBondContact CB-OE2 3.03Å; N138-E141 PolarHBondContact ND2-OE1 2.97Å; N138-E141 PolarHBondContact ND2-OE2 2.98Å; N138-E141 PolarHBondContact O-N 2.72Å; N138-A142 PolarHBondContact O-N 3.01Å
139S62Low54.3Low100 Ų10065.3 Ų65.370%0.69935%0.345SS*.THydrogen-bonded Turntrans-64.3-16-177.559.40000114.1V137 A142V137-S139 PolarHBondContact O-N 2.88Å; S139-A142 VanDerWaalsContact CA-O 3.32Å; S139-A142 WeakPolarHBondContact CA-O 3.45Å
140S63.4Low54.8Low99 Ų9968 Ų6869%0.69236%0.357SS*.THydrogen-bonded Turntrans-73.1-21.6174.6-35.30000112N138N138-S140 PolarHBondContact O-N 2.95Å; N138-S140 VanDerWaalsContact O-N 3.11Å; N138-S140 VanDerWaalsContact OD1-CB 3.23Å; N138-S140 WeakPolarHBondContact OD1-CB 3.35Å; N138-S140 PolarHBondContact OD1-N 3.29Å; N138-S140 PolarHBondContact OD1-OG 2.86Å
141E57.8Low55.1Low53 Ų5367.9 Ų67.925%0.24836%0.355CS..THydrogen-bonded Turntrans-117.4-33.9-172-67.3161.8-177.100111.4V24 A25 T28 S29 A30 N138V24-E141 WeakPolarHBondContact CG1-O 3.48Å; A25-E141 PolarHBondContact N-O 2.97Å; T28-E141 PolarHBondContact OG1-O 3.11Å; S29-E141 WeakPolarHBondContact O-CB 2.99Å; S29-E141 WeakPolarHBondContact O-CG 3.34Å; A30-E141 HydrophobicContact CB-CB 4.45Å; N138-E141 HydrophobicContact CB-CB 4.39Å; N138-E141 WeakPolarHBondContact CB-OE2 3.03Å; N138-E141 PolarHBondContact ND2-OE1 2.97Å; N138-E141 PolarHBondContact ND2-OE2 2.98Å; N138-E141 PolarHBondContact O-N 2.72Å
142A58Low54.9Low4 Ų471.3 Ų71.33%0.03337%0.372CS..EExtended strand (participates in β ladder)trans-152.3154-179.400000114T23 V24 A30 V137 N138 S139T23-A142 CarbonylContact O-C 3.43Å; T23-A142 VanDerWaalsContact O-CA 3.26Å; T23-A142 WeakPolarHBondContact O-CA 2.81Å; T23-A142 WeakPolarHBondContact O-CB 3.33Å; V24-A142 HydrophobicContact CB-CB 4.25Å; V24-A142 HydrophobicContact CG1-CB 4.34Å; V24-A142 HydrophobicContact CG2-CB 3.87Å; A30-A142 HydrophobicContact CB-CB 3.45Å; A30-A142 VanDerWaalsContact CB-CB 3.45Å; V137-A142 HydrophobicContact CG1-CB 3.65Å; N138-A142 PolarHBondContact O-N 3.01Å; S139-A142 VanDerWaalsContact CA-O 3.32Å; S139-A142 WeakPolarHBondContact CA-O 3.45Å
143I58.6Low54.5Low113 Ų11372 Ų7258%0.57939%0.39SS*.EExtended strand (participates in β ladder)trans-119.7134176.6-57.9174.1000108.3L22 T23 I145L22-I143 WeakPolarHBondContact CA-O 3.02Å; T23-I143 PolarHBondContact N-O 3.05Å; T23-I143 PolarHBondContact O-N 3.32Å; I143-I145 PolarHBondContact O-N 2.92Å
144I62.7Low53.7Low59 Ų5982.3 Ų82.330%0.30343%0.43SS..EExtended strand (participates in β ladder)trans-73.4115169.8-57.7160.8000108L22 L135 V137 Q147L22-I144 HydrophobicContact CD2-CB 4.12Å; L22-I144 HydrophobicContact CD2-CG1 3.47Å; L22-I144 VanDerWaalsContact CD2-CG1 3.47Å; L22-I144 HydrophobicContact CD2-CG2 4.48Å; L135-I144 HydrophobicContact CD2-CD1 3.8Å; L135-I144 HydrophobicContact CD2-CG1 4.24Å; L135-I144 HydrophobicContact CG-CD1 4.48Å; V137-I144 HydrophobicContact CB-CD1 4.37Å; V137-I144 HydrophobicContact CB-CG1 4.22Å; V137-I144 HydrophobicContact CG2-CD1 3.73Å; V137-I144 HydrophobicContact CG2-CG1 3.6Å; I144-Q147 HydrophobicContact CG2-CB 4.39Å
145I56.3Low53.1Low80 Ų8082.2 Ų82.241%0.4143%0.431SS..EExtended strand (participates in β ladder)trans-98.2-23.5178.153.2157.4000112.8Q21 T23 N111 I143Q21-I145 HydrophobicContact CB-CG1 4.29Å; Q21-I145 HydrophobicContact CG-CD1 3.98Å; Q21-I145 HydrophobicContact CG-CG1 4.15Å; Q21-I145 WeakPolarHBondContact O-CG1 3.37Å; Q21-I145 PolarHBondContact O-N 3.31Å; T23-I145 VanDerWaalsContact OG1-CD1 3.24Å; T23-I145 WeakPolarHBondContact OG1-CD1 3.33Å; T23-I145 WeakPolarHBondContact OG1-CG2 3.4Å; N111-I145 HydrophobicContact CB-CD1 4.15Å; I143-I145 PolarHBondContact O-N 2.92Å
146R54.4Low52Low177 Ų17785.4 Ų85.467%0.66845%0.448SS*.EExtended strand (participates in β ladder)trans-153.3141.1175.4-152.6176.9-178.5-173.50.9110.3Q21Q21-R146 HydrophobicContact CB-CB 3.75Å; Q21-R146 PolarHBondContact N-O 3.19Å; Q21-R146 PolarHBondContact O-N 3Å; Q21-R146 VanDerWaalsContact O-O 3.13Å
147Q59.1Low50.7Low98 Ų9891.3 Ų91.346%0.45847%0.472SS..EExtended strand (participates in β ladder)trans-137.9142.3171.558.7-180-20.400109.7N19 I144N19-Q147 WeakPolarHBondContact O-CA 3.25Å; I144-Q147 HydrophobicContact CG2-CB 4.39Å
148S53.6Low49.7Very low52 Ų5292.7 Ų92.736%0.36448%0.481SS..EExtended strand (participates in β ladder)trans-139138.3165.379.80000110.6N19N19-S148 PolarHBondContact N-O 3.26Å; N19-S148 PolarHBondContact O-N 2.68Å
149I53.6Low48.2Very low57 Ų5796.2 Ų96.229%0.29250%0.504SS..EExtended strand (participates in β ladder)trans-106.3123.4175.8-56178.6000106.6F18 T151 V162F18-I149 HydrophobicContact CD1-CB 4.46Å; F18-I149 HydrophobicContact CD1-CD1 4.15Å; F18-I149 HydrophobicContact CD1-CG1 3.76Å; F18-I149 HydrophobicContact CD1-CG2 4.22Å; F18-I149 HydrophobicContact CE1-CB 4.39Å; F18-I149 HydrophobicContact CE1-CD1 3.8Å; F18-I149 HydrophobicContact CE1-CG1 3.82Å; F18-I149 HydrophobicContact CE1-CG2 3.78Å; F18-I149 HydrophobicContact CZ-CG2 4.27Å; I149-T151 HydrophobicContact CG2-CG2 4.36Å; I149-V162 HydrophobicContact CD1-CG2 3.3Å; I149-V162 HydrophobicContact CG1-CG2 4.47Å
150Q47.7Very low46.8Very low110 Ų11093.5 Ų93.551%0.51449%0.488SS..EExtended strand (participates in β ladder)trans-119.9132.8172.8-69.4-175.9-15.500108.6L17L17-Q150 WeakPolarHBondContact CA-O 3.27Å; L17-Q150 HydrophobicContact CB-CB 4.48Å; L17-Q150 PolarHBondContact N-O 3.14Å; L17-Q150 PolarHBondContact O-N 3.45Å
151T48.7Very low45.2Very low57 Ų5792.6 Ų92.635%0.3548%0.48SS..EExtended strand (participates in β ladder)trans-114.1123.3-178.151.20000108.2Q16 I149 L155Q16-T151 HydrophobicContact CG-CG2 3.93Å; I149-T151 HydrophobicContact CG2-CG2 4.36Å; T151-L155 HydrophobicContact CG2-CD1 3.7Å; T151-L155 WeakPolarHBondContact OG1-CD1 3.19Å
152I41.5Very low43.9Very low103 Ų10393.1 Ų93.153%0.52849%0.486SS..EExtended strand (participates in β ladder)trans-103.3111.3177.4-63.3-176.1000107.9L15 L17L15-I152 HydrophobicContact CB-CB 4.44Å; L15-I152 PolarHBondContact O-N 3.33Å; L17-I152 HydrophobicContact CD1-CB 4.48Å; L17-I152 HydrophobicContact CD1-CD1 3.18Å; L17-I152 HydrophobicContact CD1-CG1 3.63Å
153G41Very low42.6Very low57 Ų5795.6 Ų95.659%0.58851%0.512SS*.SBendtrans142.8172178.200000113.4L155G153-L155 PolarHBondContact O-N 3.31Å
154Y34.5Very low41.1Very low238 Ų23895.4 Ų95.493%0.93352%0.52SS*.  trans-69.394.7176.3-68.3-82.8000110.3L156Y154-L156 PolarHBondContact O-N 2.94Å
155L37.4Very low39.3Very low72 Ų7299.5 Ų99.538%0.37754%0.543SS..  trans-82.3103.3166.9-92.6157.9000110.1T151 G153 K157 T158T151-L155 HydrophobicContact CG2-CD1 3.7Å; T151-L155 WeakPolarHBondContact OG1-CD1 3.19Å; G153-L155 PolarHBondContact O-N 3.31Å; L155-K157 PolarHBondContact O-N 2.9Å; L155-K157 VanDerWaalsContact O-N 3.09Å; L155-T158 HydrophobicContact CD2-CG2 4.16Å; L155-T158 WeakPolarHBondContact CD2-OG1 3.1Å
156L32.7Very low38Very low105 Ų105100.6 Ų100.655%0.5555%0.549SS..  trans-48.1110.8134.9-71.5160.5000106.7Y128 Y154 T158Y128-L156 HydrophobicContact CD1-CB 4.16Å; Y128-L156 HydrophobicContact CD1-CD1 4.39Å; Y128-L156 HydrophobicContact CE1-CB 3.61Å; Y128-L156 HydrophobicContact CE1-CD1 3.62Å; Y128-L156 HydrophobicContact CE1-CD2 3.79Å; Y128-L156 HydrophobicContact CE1-CG 3.84Å; Y128-L156 HydrophobicContact CE2-CD1 4.02Å; Y128-L156 VanDerWaalsContact CZ-CD1 3.41Å; Y128-L156 WeakPolarHBondContact OH-CD1 3.46Å; Y128-L156 WeakPolarHBondContact OH-CD2 3.11Å; Y154-L156 PolarHBondContact O-N 2.94Å; L156-T158 PolarHBondContact O-N 3.14Å
157K28.7Very low36.6Very low203 Ų20396.7 Ų96.788%0.88355%0.549SS*.  trans-2290.7178.2-66.1174.8177.2178.10112.6L155L155-K157 PolarHBondContact O-N 2.9Å; L155-K157 VanDerWaalsContact O-N 3.09Å
158T31.5Very low34.9Very low57 Ų5797.6 Ų97.635%0.3556%0.561SS.*  trans-105.1120.3163.358.60000107L155 L156L155-T158 HydrophobicContact CD2-CG2 4.16Å; L155-T158 WeakPolarHBondContact CD2-OG1 3.1Å; L156-T158 PolarHBondContact O-N 3.14Å
159V28.6Very low33.3Very low127 Ų127103.2 Ų103.277%0.7758%0.579SS**  trans-85.1111.4171.9-154.90000104.2P161V159-P161 WeakPolarHBondContact O-CD 2.82Å
160A33Very low31.8Very low43 Ų43105.1 Ų105.136%0.35560%0.595SS.*  trans-82.7114.7171.900000108V162A160-V162 PolarHBondContact O-N 2.67Å
161P29.8Very low30.5Very low80 Ų80105.5 Ų105.552%0.51961%0.608SS.*  trans-75.4108.7169.926.6-22.3000108V159 G163V159-P161 WeakPolarHBondContact O-CD 2.82Å; P161-G163 PolarHBondContact O-N 3.21Å
162V30.7Very low29.1Very low64 Ų64113.9 Ų113.939%0.38863%0.634SS.*  trans-86.391.9169.5-171.10000107I149 A160I149-V162 HydrophobicContact CD1-CG2 3.3Å; I149-V162 HydrophobicContact CG1-CG2 4.47Å; A160-V162 PolarHBondContact O-N 2.67Å
163G29.9Very low28.1Very low55 Ų55114.7 Ų114.757%0.56764%0.644SS**  trans-77.8123.8174.400000110.5P161 D165P161-G163 PolarHBondContact O-N 3.21Å; G163-D165 PolarHBondContact O-N 3.14Å
164S26.7Very low27.1Very low109 Ų109119.2 Ų119.276%0.76265%0.653SS**  trans-81.416.8168.643.10000113.4L166S164-L166 PolarHBondContact O-N 2.86Å
165D25.9Very low26.8Very low145 Ų145117.4 Ų117.478%0.77567%0.672SS**  trans-92.680.7-175.2-78.6-25.2000111.5G163G163-D165 PolarHBondContact O-N 3.14Å
166L27.8Very low26.3Very low104 Ų104119.7 Ų119.755%0.54569%0.687SS.*  trans-146.953.6141.2-93.7165.6000108.4Q136 S164 V168Q136-L166 HydrophobicContact CG-CD1 4.08Å; S164-L166 PolarHBondContact O-N 2.86Å; L166-V168 HydrophobicContact CD2-CG2 3.75Å; L166-V168 PolarHBondContact O-N 3.37Å
167S26.5Very low26Very low94 Ų94120.4 Ų120.466%0.65770%0.695SS**  trans-65.594137.9177.20000105.5K169S167-K169 PolarHBondContact O-N 2.53Å
168V23.1Very low25.8Very low117 Ų117115.8 Ų115.871%0.70968%0.684SS**  trans-64.389.3157.8-173.40000104.4L166L166-V168 HydrophobicContact CD2-CG2 3.75Å; L166-V168 PolarHBondContact O-N 3.37Å
169K20.4Very low25.5Very low171 Ų171119.3 Ų119.374%0.74370%0.704SS**  trans-50.9129.7163.8-85.5-176.5174.7178.40106.2S167 C171S167-K169 PolarHBondContact O-N 2.53Å; K169-C171 PolarHBondContact O-N 3.46Å; K169-C171 VanDerWaalsContact O-N 3.16Å
170P21.6Very low25.3Very low96 Ų96118.8 Ų118.862%0.62370%0.7SS**  trans-54.5128.5158.2-7.821.4000105.7W172P170-W172 VanDerWaalsContact O-CD1 3.24Å; P170-W172 PolarHBondContact O-N 2.72Å
171C19.7Very low24.7Very low119 Ų119123.9 Ų123.980%0.80472%0.723SS**  trans-48.7112.8174.4-156.90000108.6K169K169-C171 PolarHBondContact O-N 3.46Å; K169-C171 VanDerWaalsContact O-N 3.16Å
172W20Very low24.4Very low233 Ų233127 Ų12788%0.88374%0.737SS**  trans-12797163.8-68.2102.6000106.9P170P170-W172 VanDerWaalsContact O-CD1 3.24Å; P170-W172 PolarHBondContact O-N 2.72Å
173T20.2Very low23.9Very low120 Ų120131.8 Ų131.874%0.73676%0.764SS**  trans-126.4130.2158.6-50.30000107
174I20.9Very low23.4Very low151 Ų151138.3 Ų138.377%0.77478%0.78SS**  trans90.191.9165.9-39.7178.7000116.2
175C28.1Very low23.1Very low200 Ų200140.9 Ų140.9100%1.35178%0.782SS**  -148.3093.2-86.80000109.2

Retrieved 175 of 175 residues in 189.6 ms (Link to these results)

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