G4VTL9_SCHMA Loading...

TIP41-like protein

AlphaFold DB , UniProt , Accession G4VTL9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 259 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
1M35.6Very low71.5Confident252 Ų252116.2 Ų116.2100%1.24161%0.612SS**  092.20-91.7-177.6-96.300107.6
2E44Very low73.4Confident192 Ų192113.7 Ų113.790%0.89759%0.588SS**  trans-121.3102.7159.7-159.1167.4-151.300102.5A4E2-A4 VanDerWaalsContact C-N 3.3Å; E2-A4 PolarHBondContact O-N 3.03Å
3Q50.5Low75Confident191 Ų191105.8 Ų105.889%0.89355%0.547SS*.  trans-70.997-179.9-156.9165.518.800104.5C5Q3-C5 PolarHBondContact O-N 2.64Å
4A57Low76.3Confident49 Ų49103.9 Ų103.941%0.40554%0.538SS..  trans-53.2115.8178.500000107.3E2 V6 H23E2-A4 VanDerWaalsContact C-N 3.3Å; E2-A4 PolarHBondContact O-N 3.03Å; A4-V6 PolarHBondContact O-N 2.99Å; A4-H23 WeakPolarHBondContact CB-NE2 3.35Å; A4-H23 PolarHBondContact O-NE2 2.81Å
5C65.3Low77.5Confident114 Ų114101.1 Ų101.177%0.7753%0.525SS*.  trans-79.5116.9-174.4-170.80000107.8Q3 K7Q3-C5 PolarHBondContact O-N 2.64Å; C5-K7 PolarHBondContact O-N 2.82Å; C5-K7 VanDerWaalsContact O-N 3.12Å
6V74.8Confident78.7Confident46 Ų4695 Ų9528%0.27949%0.493SS..  trans-53.3118170.9178.20000108.7A4 S8 K21 H23A4-V6 PolarHBondContact O-N 2.99Å; V6-S8 PolarHBondContact O-N 3.02Å; V6-K21 HydrophobicContact CG1-CB 3.85Å; V6-K21 HydrophobicContact CG1-CD 4.43Å; V6-K21 HydrophobicContact CG1-CG 4.28Å; V6-H23 HydrophobicContact CG2-CB 4.49Å
7K86.1Confident79.7Confident161 Ų16190.8 Ų90.870%0.747%0.471SS*.EExtended strand (participates in β ladder)trans-74.5114.7174.3-69.9-178.3-177174.50107C5 K21 E22C5-K7 PolarHBondContact O-N 2.82Å; C5-K7 VanDerWaalsContact O-N 3.12Å; K7-K21 WeakPolarHBondContact O-CA 3.32Å; K7-E22 PolarHBondContact N-O 2.94Å; K7-E22 PolarHBondContact O-N 3.14Å
8S90.9Very high80.7Confident72 Ų7285.8 Ų85.850%0.50345%0.445SS..EExtended strand (participates in β ladder)trans-110.8128.1176.5-175.80000108.9V6 L20V6-S8 PolarHBondContact O-N 3.02Å; S8-L20 CarbonylContact C-O 3.56Å; S8-L20 VanDerWaalsContact CA-O 3.31Å; S8-L20 WeakPolarHBondContact CA-O 3.47Å
9S93.2Very high81.5Confident44 Ų4482.4 Ų82.431%0.30843%0.427SS..EExtended strand (participates in β ladder)trans-126.3149.7172.166.50000110.1L20S9-L20 PolarHBondContact N-O 2.85Å; S9-L20 PolarHBondContact O-N 3.44Å
10Q94.3Very high82.3Confident122 Ų12278.5 Ų78.557%0.5741%0.407SS*.EExtended strand (participates in β ladder)trans-132.2141.8-177.1-60.7-176.2-2.600110.1L17 I18 I19Q10-L17 HydrophobicContact CB-CD1 4.23Å; Q10-I18 CarbonylContact C-O 3.57Å; Q10-I18 VanDerWaalsContact CA-O 3.23Å; Q10-I18 WeakPolarHBondContact CA-O 3.15Å; Q10-I19 HydrophobicContact CG-CG1 4.2Å; Q10-I19 HydrophobicContact CG-CG2 4.24Å
11H94.8Very high83Confident35 Ų3579 Ų7916%0.16241%0.406CS..EExtended strand (participates in β ladder)trans-135125175.7-172.172.6000109.7I18 F151H11-I18 HydrophobicContact CB-CB 4.41Å; H11-I18 PolarHBondContact N-O 2.91Å; H11-I18 PolarHBondContact O-N 3.2Å; H11-F151 HydrophobicContact CB-CB 4.2Å; H11-F151 HydrophobicContact CB-CD1 3.75Å; H11-F151 HydrophobicContact CB-CD2 4.01Å; H11-F151 HydrophobicContact CB-CE1 4.04Å; H11-F151 HydrophobicContact CB-CE2 4.3Å; H11-F151 HydrophobicContact CB-CG 3.73Å; H11-F151 HydrophobicContact CB-CZ 4.31Å; H11-F151 AromaticContact CG-CG 3.7Å
12R94.9Very high85.7Confident86 Ų8670.5 Ų70.533%0.32536%0.363SS..EExtended strand (participates in β ladder)trans-99.7131.5177.6-172.277.2-176.5-156-6.5109.7D14 W16 C60R12-D14 PolarHBondContact NE-O 2.9Å; R12-D14 PolarHBondContact NH2-O 2.87Å; R12-W16 WeakPolarHBondContact CA-O 3.36Å; R12-W16 WeakPolarHBondContact CD-O 3.31Å; R12-C60 PolarHBondContact NH1-SG 3.09Å
13L94.2Very high88.1Confident12 Ų1262.7 Ų62.76%0.06333%0.327CS..EExtended strand (participates in β ladder)trans-135.4108.3171-175.866.7000108.8D15 W16 A176 M177 G180 F181 W205L13-D15 PolarHBondContact O-N 3.12Å; L13-W16 PolarHBondContact N-O 3.14Å; L13-W16 WeakPolarHBondContact O-CA 3Å; L13-W16 WeakPolarHBondContact O-CB 3.43Å; L13-W16 PolarHBondContact O-N 2.95Å; L13-A176 HydrophobicContact CD2-CB 4.46Å; L13-M177 WeakPolarHBondContact CD1-O 3.39Å; L13-M177 WeakPolarHBondContact CD2-O 3.4Å; L13-G180 WeakPolarHBondContact CD2-O 3.45Å; L13-F181 HydrophobicContact CD2-CB 4.45Å; L13-F181 HydrophobicContact CD2-CD1 4.04Å; L13-W205 HydrophobicContact CD2-CE3 3.98Å; L13-W205 HydrophobicContact CD2-CZ3 3.55Å; L13-W205 HydrophobicContact CG-CZ3 3.81Å
14D92.9Very high90Very high78 Ų7857.2 Ų57.242%0.41730%0.301SS..THydrogen-bonded Turntrans49.6-121.9-172-64.7-31.4000111.4R12 W16 W205R12-D14 PolarHBondContact NE-O 2.9Å; R12-D14 PolarHBondContact NH2-O 2.87Å; D14-W16 VanDerWaalsContact C-N 3.26Å; D14-W16 PolarHBondContact O-N 3.22Å; D14-W205 HydrophobicContact CB-CH2 3.96Å; D14-W205 WeakPolarHBondContact OD2-CH2 3.43Å
15D94.1Very high91.8Very high63 Ų6358 Ų5834%0.33730%0.298SS..THydrogen-bonded Turntrans-81.1-3.6178.6-65.7-31.3000113.5L13 Y59 C60L13-D15 PolarHBondContact O-N 3.12Å; D15-Y59 HydrophobicContact CB-CD2 4.06Å; D15-Y59 HydrophobicContact CB-CE2 3.53Å; D15-C60 WeakPolarHBondContact O-CB 3.2Å; D15-C60 PolarHBondContact O-N 2.91Å
16W96Very high93.2Very high3 Ų352.8 Ų52.81%0.01126%0.262CS..EExtended strand (participates in β ladder)trans-96.7127.2-176.4-60.396.8000112R12 L13 D14 I18 I57 C58 Y59 W129 F181 W205 L212 P253R12-W16 WeakPolarHBondContact CA-O 3.36Å; R12-W16 WeakPolarHBondContact CD-O 3.31Å; L13-W16 PolarHBondContact N-O 3.14Å; L13-W16 WeakPolarHBondContact O-CA 3Å; L13-W16 WeakPolarHBondContact O-CB 3.43Å; L13-W16 PolarHBondContact O-N 2.95Å; D14-W16 VanDerWaalsContact C-N 3.26Å; D14-W16 PolarHBondContact O-N 3.22Å; W16-I18 HydrophobicContact CB-CD1 4.21Å; W16-I57 HydrophobicContact CD2-CG2 4.4Å; W16-I57 HydrophobicContact CE3-CG2 3.51Å; W16-I57 HydrophobicContact CZ3-CG2 3.89Å; W16-C58 CarbonylContact C-O 3.57Å; W16-C58 WeakPolarHBondContact CA-O 3.26Å; W16-Y59 HydrophobicContact CD2-CD2 4.05Å; W16-Y59 AromaticContact CE2-CD2 3.77Å; W16-Y59 HydrophobicContact CE3-CD2 4.21Å; W16-Y59 AromaticContact CH2-CD2 3.93Å; W16-Y59 HydrophobicContact CH2-CD2 3.93Å; W16-Y59 HydrophobicContact CH2-CG 4.31Å; W16-Y59 AromaticContact CZ2-CD2 3.72Å; W16-Y59 HydrophobicContact CZ2-CD2 3.72Å; W16-Y59 HydrophobicContact CZ2-CE2 4.43Å; W16-Y59 HydrophobicContact CZ3-CD2 4.17Å; W16-Y59 HydrophobicContact CZ3-CG 4.37Å; W16-W129 AromaticContact CH2-CH2 3.78Å; W16-W129 HydrophobicContact CH2-CH2 3.78Å; W16-W129 HydrophobicContact CH2-CZ3 4.13Å; W16-W129 AromaticContact CZ3-CH2 3.85Å; W16-W129 HydrophobicContact CZ3-CH2 3.85Å; W16-F181 HydrophobicContact CB-CE1 3.96Å; W16-F181 AromaticContact CD1-CE1 3.93Å; W16-F181 AromaticContact CD2-CE1 3.98Å; W16-F181 HydrophobicContact CD2-CE1 3.98Å; W16-F181 HydrophobicContact CD2-CZ 4.17Å; W16-F181 HydrophobicContact CE3-CZ 4.41Å; W16-F181 AromaticContact CG-CE1 3.68Å; W16-F181 HydrophobicContact CG-CE1 3.68Å; W16-F181 HydrophobicContact CG-CZ 4.35Å; W16-W205 AromaticContact CD1-CD2 3.68Å; W16-W205 AromaticContact CD1-CE2 3.55Å; W16-W205 AromaticContact CD1-CE3 3.95Å; W16-W205 AromaticContact CD1-CH2 3.98Å; W16-W205 AromaticContact CD1-CZ2 3.71Å; W16-W205 AromaticContact CE2-CD1 3.92Å; W16-W205 AromaticContact CE2-NE1 3.92Å; W16-W205 AromaticContact CZ2-CD1 4Å; W16-W205 AromaticContact NE1-CD1 3.5Å; W16-W205 AromaticContact NE1-CD2 3.43Å; W16-W205 AromaticContact NE1-CE2 3.08Å; W16-W205 AromaticContact NE1-CG 3.7Å; W16-W205 AromaticContact NE1-CZ2 3.58Å; W16-W205 AromaticContact NE1-NE1 3.12Å; W16-W205 VanDerWaalsContact NE1-NE1 3.12Å; W16-L212 HydrophobicContact CH2-CD1 3.79Å; W16-L212 HydrophobicContact CH2-CD2 3.62Å; W16-L212 HydrophobicContact CH2-CG 3.65Å; W16-L212 HydrophobicContact CZ2-CD2 3.61Å; W16-L212 HydrophobicContact CZ2-CG 4.02Å; W16-L212 HydrophobicContact CZ3-CD1 4.07Å; W16-L212 HydrophobicContact CZ3-CD2 4.22Å; W16-L212 HydrophobicContact CZ3-CG 4.37Å; W16-P253 HydrophobicContact CH2-CG 4.2Å; W16-P253 HydrophobicContact CZ2-CG 4.42Å
17L96.5Very high94.1Very high24 Ų2456.3 Ų56.313%0.12627%0.274CS..EExtended strand (participates in β ladder)trans-108.5114.3170.2-179.865.6000109.5Q10 I19 C58Q10-L17 HydrophobicContact CB-CD1 4.23Å; L17-I19 HydrophobicContact CD2-CD1 3.99Å; L17-I19 HydrophobicContact CD2-CG1 4.16Å; L17-I19 HydrophobicContact CG-CD1 4.31Å; L17-I19 HydrophobicContact CG-CG1 3.95Å; L17-C58 HydrophobicContact CB-CB 4.34Å; L17-C58 PolarHBondContact N-O 2.87Å; L17-C58 PolarHBondContact O-N 3.46Å
18I97.3Very high94.2Very high0 Ų053.1 Ų53.10%027%0.272CS..EExtended strand (participates in β ladder)trans-93.9126.9174.2-65.187.7000108.2Q10 H11 W16 L55 S56 I57 F151 F174 F181Q10-I18 CarbonylContact C-O 3.57Å; Q10-I18 VanDerWaalsContact CA-O 3.23Å; Q10-I18 WeakPolarHBondContact CA-O 3.15Å; H11-I18 HydrophobicContact CB-CB 4.41Å; H11-I18 PolarHBondContact N-O 2.91Å; H11-I18 PolarHBondContact O-N 3.2Å; W16-I18 HydrophobicContact CB-CD1 4.21Å; I18-L55 HydrophobicContact CG2-CD1 3.77Å; I18-S56 CarbonylContact C-O 3.57Å; I18-S56 VanDerWaalsContact CA-O 3.31Å; I18-S56 WeakPolarHBondContact CA-O 3.46Å; I18-I57 HydrophobicContact CG1-CG1 4.22Å; I18-F151 HydrophobicContact CG2-CE1 3.9Å; I18-F174 HydrophobicContact CB-CZ 4.49Å; I18-F174 HydrophobicContact CD1-CZ 4.05Å; I18-F174 HydrophobicContact CG1-CE1 4.05Å; I18-F174 HydrophobicContact CG1-CE2 4.22Å; I18-F174 HydrophobicContact CG1-CZ 3.57Å; I18-F174 HydrophobicContact CG2-CD1 4.44Å; I18-F174 HydrophobicContact CG2-CE1 4.1Å; I18-F174 HydrophobicContact CG2-CZ 4.29Å; I18-F181 HydrophobicContact CD1-CD1 4.45Å
19I96.8Very high94Very high21 Ų2156.5 Ų56.511%0.10828%0.283CS..EExtended strand (participates in β ladder)trans-122.3119.7179.4-51.4175.4000107.6Q10 L17 L55 S56Q10-I19 HydrophobicContact CG-CG1 4.2Å; Q10-I19 HydrophobicContact CG-CG2 4.24Å; L17-I19 HydrophobicContact CD2-CD1 3.99Å; L17-I19 HydrophobicContact CD2-CG1 4.16Å; L17-I19 HydrophobicContact CG-CD1 4.31Å; L17-I19 HydrophobicContact CG-CG1 3.95Å; I19-L55 WeakPolarHBondContact O-CA 3.33Å; I19-S56 PolarHBondContact N-O 3.28Å; I19-S56 PolarHBondContact O-N 3.14Å
20L96.8Very high94Very high5 Ų556.1 Ų56.13%0.02629%0.286CS..EExtended strand (participates in β ladder)trans-107.2130.8173171.966.4000108.8S8 S9 E22 S54 L55 V153 T155S8-L20 CarbonylContact C-O 3.56Å; S8-L20 VanDerWaalsContact CA-O 3.31Å; S8-L20 WeakPolarHBondContact CA-O 3.47Å; S9-L20 PolarHBondContact N-O 2.85Å; S9-L20 PolarHBondContact O-N 3.44Å; L20-E22 HydrophobicContact CD1-CG 3.8Å; L20-E22 HydrophobicContact CD2-CG 3.98Å; L20-E22 HydrophobicContact CG-CG 3.85Å; L20-S54 WeakPolarHBondContact CA-O 3.3Å; L20-L55 HydrophobicContact CB-CD1 4.09Å; L20-L55 HydrophobicContact CD1-CD1 4.18Å; L20-V153 HydrophobicContact CD1-CG1 3.68Å; L20-V153 HydrophobicContact CD2-CB 4.24Å; L20-V153 HydrophobicContact CD2-CG1 3.5Å; L20-V153 HydrophobicContact CD2-CG2 3.7Å; L20-V153 HydrophobicContact CG-CG1 4.17Å; L20-T155 HydrophobicContact CD1-CG2 4.2Å
21K96.6Very high93.9Very high88 Ų8858.1 Ų58.138%0.38330%0.296SS..EExtended strand (participates in β ladder)trans-116.5130.2165.6-61.1-179-176.6169.70108.6V6 K7 N53 S54V6-K21 HydrophobicContact CG1-CB 3.85Å; V6-K21 HydrophobicContact CG1-CD 4.43Å; V6-K21 HydrophobicContact CG1-CG 4.28Å; K7-K21 WeakPolarHBondContact O-CA 3.32Å; K21-N53 VanDerWaalsContact O-CA 3.3Å; K21-N53 WeakPolarHBondContact O-CA 3.38Å; K21-S54 PolarHBondContact N-O 2.98Å; K21-S54 PolarHBondContact O-N 2.88Å
22E93.6Very high93.8Very high74 Ų7461.2 Ų61.235%0.34631%0.31SS..EExtended strand (participates in β ladder)trans-128.2137.5176.2-68.2178.6122.200110.2K7 L20 N53K7-E22 PolarHBondContact N-O 2.94Å; K7-E22 PolarHBondContact O-N 3.14Å; L20-E22 HydrophobicContact CD1-CG 3.8Å; L20-E22 HydrophobicContact CD2-CG 3.98Å; L20-E22 HydrophobicContact CG-CG 3.85Å; E22-N53 WeakPolarHBondContact CA-OD1 3.33Å
23H92.6Very high93.7Very high29 Ų2958.7 Ų58.713%0.13430%0.301CS..  trans-146.7173-177.8-160.5-106.1000110.9A4 V6 Q52 N53A4-H23 WeakPolarHBondContact CB-NE2 3.35Å; A4-H23 PolarHBondContact O-NE2 2.81Å; V6-H23 HydrophobicContact CG2-CB 4.49Å; H23-Q52 HydrophobicContact CB-CB 3.81Å; H23-N53 PolarHBondContact N-OD1 2.87Å; H23-N53 PolarHBondContact O-OD1 2.85Å
24H92.3Very high93.6Very high75 Ų7562.9 Ų62.935%0.34732%0.32SS..PPolyproline II helixtrans-73162.6174.968.869.2000111.4
25I94.3Very high93.7Very high65 Ų6561.7 Ų61.733%0.33332%0.321SS..PPolyproline II helixtrans-56.5137.6174.6-59.1170.6000109.9K27 M48 I49 F50I25-K27 PolarHBondContact O-N 2.95Å; I25-M48 HydrophobicContact CD1-CB 4.38Å; I25-M48 HydrophobicContact CD1-CG 4.17Å; I25-M48 HydrophobicContact CD1-SD 4.22Å; I25-M48 HydrophobicContact CG2-CB 4.3Å; I25-I49 CarbonylContact C-O 3.55Å; I25-I49 WeakPolarHBondContact CA-O 3.31Å; I25-F50 HydrophobicContact CB-CE1 4.49Å; I25-F50 HydrophobicContact CD1-CE1 4.15Å; I25-F50 HydrophobicContact CD1-CZ 3.89Å; I25-F50 HydrophobicContact CG1-CD1 3.84Å; I25-F50 HydrophobicContact CG1-CE1 3.31Å; I25-F50 HydrophobicContact CG1-CE2 4.11Å; I25-F50 HydrophobicContact CG1-CG 4.45Å; I25-F50 HydrophobicContact CG1-CZ 3.46Å; I25-F50 VanDerWaalsContact CG1-CZ 3.46Å
26L94.7Very high93.8Very high6 Ų659.4 Ų59.43%0.03131%0.308CS..PPolyproline II helixtrans-51.1129.2172-179.962.2000109.6E32 F36 I49 D51L26-E32 HydrophobicContact CD1-CB 4.05Å; L26-F36 HydrophobicContact CD2-CB 3.95Å; L26-F36 HydrophobicContact CD2-CD1 4.17Å; L26-F36 HydrophobicContact CD2-CD2 4.36Å; L26-F36 HydrophobicContact CD2-CG 3.91Å; L26-I49 HydrophobicContact CB-CB 4.32Å; L26-I49 VanDerWaalsContact CB-O 3.3Å; L26-I49 WeakPolarHBondContact CB-O 3.33Å; L26-I49 HydrophobicContact CD2-CB 4.46Å; L26-I49 PolarHBondContact N-O 3.01Å; L26-D51 HydrophobicContact CB-CB 4.3Å; L26-D51 HydrophobicContact CD1-CB 4.47Å; L26-D51 HydrophobicContact CD2-CB 4.37Å
27K92.4Very high93.6Very high120 Ų12062.7 Ų62.752%0.52232%0.324SS..PPolyproline II helixtrans-61.4147-179.7-67.4172.6-176159.70110.1I25 L29 R33I25-K27 PolarHBondContact O-N 2.95Å; K27-L29 PolarHBondContact O-N 3.33Å; K27-R33 WeakPolarHBondContact O-CB 3.38Å
28S88.5Confident93.5Very high94 Ų9470.3 Ų70.366%0.65735%0.351SS*.SBendtrans-65.1-20.3178.952.90000113.7
29L87.9Confident93.4Very high142 Ų14272.6 Ų72.674%0.74337%0.367SS*.SBendtrans-141.7153.9-177.5-65.4171.9000110.8K27K27-L29 PolarHBondContact O-N 3.33Å
30G92Very high93.3Very high36 Ų3672.3 Ų72.337%0.37137%0.366SS..SBendtrans117.9175.1173.400000113.7E32 R33 E34G30-E32 VanDerWaalsContact C-N 3.28Å; G30-E32 PolarHBondContact O-N 3.25Å; G30-R33 WeakPolarHBondContact O-CB 3.14Å; G30-R33 PolarHBondContact O-N 3.12Å; G30-E34 PolarHBondContact O-N 3.2Å
31E92.4Very high93Very high164 Ų16479.6 Ų79.677%0.76640%0.399SS*.Hα-helixtrans-58.3-37.6-173-63.4-178.6177.700113.3R33 E34 A35E31-R33 PolarHBondContact O-N 2.79Å; E31-E34 PolarHBondContact O-N 2.98Å; E31-A35 WeakPolarHBondContact O-CB 3.47Å; E31-A35 PolarHBondContact O-N 2.92Å
32E92Very high92.7Very high101 Ų10176.2 Ų76.247%0.47239%0.385SS..Hα-helixtrans-61.6-43.5177.5-66.6174169.800111.3L26 G30 F36L26-E32 HydrophobicContact CD1-CB 4.05Å; G30-E32 VanDerWaalsContact C-N 3.28Å; G30-E32 PolarHBondContact O-N 3.25Å; E32-F36 WeakPolarHBondContact O-CB 3.36Å; E32-F36 PolarHBondContact O-N 3.15Å
33R93.1Very high92.4Very high32 Ų3275.3 Ų75.312%0.12139%0.386CS..Hα-helixtrans-65.9-49.8177.917866.8178.5-142.51.7111K27 G30 E31 A35 F36 E37 I45K27-R33 WeakPolarHBondContact O-CB 3.38Å; G30-R33 WeakPolarHBondContact O-CB 3.14Å; G30-R33 PolarHBondContact O-N 3.12Å; E31-R33 PolarHBondContact O-N 2.79Å; R33-A35 VanDerWaalsContact C-N 3.29Å; R33-A35 PolarHBondContact O-N 3.33Å; R33-F36 WeakPolarHBondContact O-CB 3.42Å; R33-F36 PolarHBondContact O-N 3.06Å; R33-F36 VanDerWaalsContact O-N 3.16Å; R33-E37 IonicContact CZ-OE1 3.42Å; R33-E37 IonicContact NE-OE1 2.74Å; R33-E37 PolarHBondContact NE-OE1 3.27Å; R33-E37 IonicContact NH2-OE1 3.22Å; R33-E37 PolarHBondContact NH2-OE1 3.21Å; R33-E37 WeakPolarHBondContact O-CG 3.19Å; R33-E37 PolarHBondContact O-N 3.39Å; R33-I45 VanDerWaalsContact NE-CD1 3.29Å
34E93.5Very high92.2Very high100 Ų10075 Ų7547%0.46739%0.388SS..Hα-helixtrans-62.5-36.1178.8-67.3172.3-162.400112.4G30 E31 R38G30-E34 PolarHBondContact O-N 3.2Å; E31-E34 PolarHBondContact O-N 2.98Å; E34-R38 VanDerWaalsContact O-CB 3.3Å; E34-R38 WeakPolarHBondContact O-CB 3.44Å; E34-R38 VanDerWaalsContact O-CG 3.24Å; E34-R38 WeakPolarHBondContact O-CG 3.35Å; E34-R38 PolarHBondContact O-N 3.17Å; E34-R38 PolarHBondContact O-NE 2.69Å; E34-R38 IonicContact OE2-NH2 2.82Å
35A94.3Very high92.2Very high53 Ų5371.7 Ų71.744%0.43837%0.373SS..Hα-helixtrans-68.6-40.4175.600000111.3E31 R33 S39E31-A35 WeakPolarHBondContact O-CB 3.47Å; E31-A35 PolarHBondContact O-N 2.92Å; R33-A35 VanDerWaalsContact C-N 3.29Å; R33-A35 PolarHBondContact O-N 3.33Å; A35-S39 PolarHBondContact O-N 2.91Å; A35-S39 VanDerWaalsContact O-N 3.16Å
36F95.2Very high92.3Very high15 Ų1568.6 Ų68.67%0.06636%0.357CS..Hα-helixtrans-63.6-48.4175.5-166.4-84.4000111.4L26 E32 R33 R38 S39 L40 I45 I49 D51 L75 L78L26-F36 HydrophobicContact CD2-CB 3.95Å; L26-F36 HydrophobicContact CD2-CD1 4.17Å; L26-F36 HydrophobicContact CD2-CD2 4.36Å; L26-F36 HydrophobicContact CD2-CG 3.91Å; E32-F36 WeakPolarHBondContact O-CB 3.36Å; E32-F36 PolarHBondContact O-N 3.15Å; R33-F36 WeakPolarHBondContact O-CB 3.42Å; R33-F36 PolarHBondContact O-N 3.06Å; R33-F36 VanDerWaalsContact O-N 3.16Å; F36-R38 PolarHBondContact O-N 3.43Å; F36-S39 WeakPolarHBondContact O-CB 3.49Å; F36-S39 PolarHBondContact O-N 2.86Å; F36-S39 VanDerWaalsContact O-N 3.08Å; F36-S39 PolarHBondContact O-OG 3.28Å; F36-L40 HydrophobicContact CD1-CD1 3.96Å; F36-L40 HydrophobicContact CE1-CD1 3.57Å; F36-L40 HydrophobicContact CZ-CD1 4.47Å; F36-I45 HydrophobicContact CD1-CD1 3.99Å; F36-I45 HydrophobicContact CE1-CD1 4.44Å; F36-I49 HydrophobicContact CD1-CD1 4.24Å; F36-I49 HydrophobicContact CE1-CD1 3.72Å; F36-I49 HydrophobicContact CE1-CG2 4.04Å; F36-I49 HydrophobicContact CE2-CG2 4.28Å; F36-I49 HydrophobicContact CZ-CD1 4.43Å; F36-I49 HydrophobicContact CZ-CG2 3.71Å; F36-D51 HydrophobicContact CD2-CB 3.81Å; F36-D51 HydrophobicContact CE2-CB 3.66Å; F36-L75 HydrophobicContact CE2-CB 3.92Å; F36-L75 HydrophobicContact CE2-CD1 4.1Å; F36-L75 HydrophobicContact CZ-CB 4.21Å; F36-L75 HydrophobicContact CZ-CD1 4.18Å; F36-L78 HydrophobicContact CE1-CD1 3.81Å; F36-L78 HydrophobicContact CZ-CD1 3.96Å
37E93.7Very high92.2Very high73 Ų7372.5 Ų72.534%0.34138%0.375SS..Hα-helixtrans-59.5-45.8176.9-72175.2171.100111.7R33 S39 L40 I45R33-E37 IonicContact CZ-OE1 3.42Å; R33-E37 IonicContact NE-OE1 2.74Å; R33-E37 PolarHBondContact NE-OE1 3.27Å; R33-E37 IonicContact NH2-OE1 3.22Å; R33-E37 PolarHBondContact NH2-OE1 3.21Å; R33-E37 WeakPolarHBondContact O-CG 3.19Å; R33-E37 PolarHBondContact O-N 3.39Å; E37-S39 PolarHBondContact O-N 3.19Å; E37-S39 VanDerWaalsContact O-N 3.16Å; E37-L40 PolarHBondContact O-N 2.91Å; E37-L40 VanDerWaalsContact O-O 3.13Å; E37-I45 HydrophobicContact CG-CD1 3.61Å; E37-I45 HydrophobicContact CG-CG1 4.14Å; E37-I45 HydrophobicContact CG-CG2 4.22Å
38R94.5Very high92.4Very high183 Ų18369 Ų6969%0.69136%0.361SS*.Hα-helixtrans-62.1-22.2176.4-79.7-178.7-80.8166.2-15.1114.1E34 F36 L40E34-R38 VanDerWaalsContact O-CB 3.3Å; E34-R38 WeakPolarHBondContact O-CB 3.44Å; E34-R38 VanDerWaalsContact O-CG 3.24Å; E34-R38 WeakPolarHBondContact O-CG 3.35Å; E34-R38 PolarHBondContact O-N 3.17Å; E34-R38 PolarHBondContact O-NE 2.69Å; E34-R38 IonicContact OE2-NH2 2.82Å; F36-R38 PolarHBondContact O-N 3.43Å; R38-L40 VanDerWaalsContact C-N 3.26Å
39S95.1Very high92.8Very high48 Ų4864.5 Ų64.534%0.33633%0.33SS..THydrogen-bonded Turntrans-82.4-5.4177.876.40000113.6A35 F36 E37 L75A35-S39 PolarHBondContact O-N 2.91Å; A35-S39 VanDerWaalsContact O-N 3.16Å; F36-S39 WeakPolarHBondContact O-CB 3.49Å; F36-S39 PolarHBondContact O-N 2.86Å; F36-S39 VanDerWaalsContact O-N 3.08Å; F36-S39 PolarHBondContact O-OG 3.28Å; E37-S39 PolarHBondContact O-N 3.19Å; E37-S39 VanDerWaalsContact O-N 3.16Å; S39-L75 WeakPolarHBondContact OG-CD1 3.37Å
40L94.1Very high93.2Very high16 Ų1659.6 Ų59.68%0.08430%0.303CS..SBendtrans-113.7150178.4-64.3173.3000110.5F36 E37 R38 L42 I45 L75 L78 K79F36-L40 HydrophobicContact CD1-CD1 3.96Å; F36-L40 HydrophobicContact CE1-CD1 3.57Å; F36-L40 HydrophobicContact CZ-CD1 4.47Å; E37-L40 PolarHBondContact O-N 2.91Å; E37-L40 VanDerWaalsContact O-O 3.13Å; R38-L40 VanDerWaalsContact C-N 3.26Å; L40-L42 HydrophobicContact CB-CB 4.46Å; L40-L42 HydrophobicContact CB-CG 4.49Å; L40-L42 HydrophobicContact CD1-CD1 4.49Å; L40-L42 PolarHBondContact O-N 2.87Å; L40-I45 HydrophobicContact CD1-CG2 3.64Å; L40-L75 HydrophobicContact CD2-CD1 3.99Å; L40-L75 HydrophobicContact CG-CD1 4.3Å; L40-L78 HydrophobicContact CD1-CB 3.94Å; L40-L78 HydrophobicContact CD1-CD1 4.18Å; L40-L78 HydrophobicContact CD2-CB 3.79Å; L40-K79 HydrophobicContact CD2-CB 4.39Å; L40-K79 HydrophobicContact CD2-CG 3.68Å
41E90.4Very high93.4Very high157 Ų15759.6 Ų59.673%0.73429%0.294SS*.  trans-88.510.7172.8-62.9-173.1-175.800112.3P83E41-P83 HydrophobicContact CB-CB 3.91Å; E41-P83 HydrophobicContact CB-CG 4.31Å
42L89.9Confident93.5Very high18 Ų1854.8 Ų54.89%0.09427%0.271CS..  trans-88.1135.5-174.9-60.1175.7000111L40 A44 V81 P83 F117L40-L42 HydrophobicContact CB-CB 4.46Å; L40-L42 HydrophobicContact CB-CG 4.49Å; L40-L42 HydrophobicContact CD1-CD1 4.49Å; L40-L42 PolarHBondContact O-N 2.87Å; L42-A44 VanDerWaalsContact CB-O 3.27Å; L42-A44 WeakPolarHBondContact CB-O 3.38Å; L42-A44 PolarHBondContact O-N 2.85Å; L42-V81 HydrophobicContact CD1-CB 4.05Å; L42-V81 HydrophobicContact CD1-CG1 4.17Å; L42-V81 HydrophobicContact CD2-CB 4.11Å; L42-V81 HydrophobicContact CD2-CG1 3.84Å; L42-P83 HydrophobicContact CD2-CB 4.15Å; L42-F117 HydrophobicContact CD1-CD1 4.43Å
43P87.4Confident93.7Very high55 Ų5550.2 Ų50.236%0.35725%0.251SS..SBendtrans-63.9-29175-22.433.8000113.9Y113P43-Y113 HydrophobicContact CB-CD1 4.25Å; P43-Y113 HydrophobicContact CB-CE1 4.32Å; P43-Y113 HydrophobicContact CG-CD1 3.72Å; P43-Y113 HydrophobicContact CG-CE1 4.28Å; P43-Y113 HydrophobicContact CG-CG 3.99Å
44A88.6Confident93.9Very high21 Ų2149.1 Ų49.117%0.17425%0.248CC..SBendtrans-141.1157.6175.900000109.1L42 Y113 F117L42-A44 VanDerWaalsContact CB-O 3.27Å; L42-A44 WeakPolarHBondContact CB-O 3.38Å; L42-A44 PolarHBondContact O-N 2.85Å; A44-Y113 HydrophobicContact CB-CE2 4.46Å; A44-F117 WeakPolarHBondContact O-CE1 3.47Å
45I92.9Very high94.1Very high7 Ų744.4 Ų44.44%0.03623%0.226CC..  trans-122.6165.5178.567.3168.3000109.7R33 F36 E37 L40 I49 F117R33-I45 VanDerWaalsContact NE-CD1 3.29Å; F36-I45 HydrophobicContact CD1-CD1 3.99Å; F36-I45 HydrophobicContact CE1-CD1 4.44Å; E37-I45 HydrophobicContact CG-CD1 3.61Å; E37-I45 HydrophobicContact CG-CG1 4.14Å; E37-I45 HydrophobicContact CG-CG2 4.22Å; L40-I45 HydrophobicContact CD1-CG2 3.64Å; I45-I49 HydrophobicContact CB-CD1 3.85Å; I45-I49 HydrophobicContact CD1-CD1 3.29Å; I45-I49 HydrophobicContact CG1-CD1 3.75Å; I45-F117 VanDerWaalsContact C-CZ 3.46Å
46P95.1Very high94.3Very high0 Ų042 Ų420%021%0.206CC..  trans-54.4149.7176.5-2733.4000113.7I49 L78 F117 Y158 D160P46-I49 HydrophobicContact CB-CD1 4.28Å; P46-I49 HydrophobicContact CB-CG1 3.82Å; P46-I49 HydrophobicContact CG-CD1 4.37Å; P46-I49 HydrophobicContact CG-CG1 4.25Å; P46-I49 WeakPolarHBondContact O-CG1 3.3Å; P46-L78 HydrophobicContact CG-CD1 4.24Å; P46-L78 HydrophobicContact CG-CD2 3.77Å; P46-F117 HydrophobicContact CB-CD2 4.36Å; P46-F117 HydrophobicContact CB-CE2 4.43Å; P46-F117 HydrophobicContact CG-CB 4.21Å; P46-F117 HydrophobicContact CG-CD1 3.96Å; P46-F117 HydrophobicContact CG-CD2 3.85Å; P46-F117 HydrophobicContact CG-CE1 4.29Å; P46-F117 HydrophobicContact CG-CE2 4.18Å; P46-F117 HydrophobicContact CG-CG 3.73Å; P46-F117 HydrophobicContact CG-CZ 4.38Å; P46-Y158 HydrophobicContact CB-CD2 4.22Å; P46-Y158 HydrophobicContact CG-CD2 3.73Å; P46-Y158 HydrophobicContact CG-CE2 4.37Å; P46-Y158 HydrophobicContact CG-CG 4.06Å; P46-D160 VanDerWaalsContact CA-OD2 3.3Å; P46-D160 WeakPolarHBondContact CA-OD2 3.37Å; P46-D160 HydrophobicContact CB-CB 4.11Å
47E92.6Very high94.5Very high87 Ų8741.3 Ų41.341%0.40720%0.203SC..SBendtrans-61.7-43.1175.7-74.8176-167.600112.6R100 D160E47-R100 IonicContact OE1-CZ 2.84Å; E47-R100 IonicContact OE1-NH2 2.84Å; E47-R100 PolarHBondContact OE1-NH2 2.85Å; E47-D160 PolarHBondContact N-OD2 3.43Å
48M96.4Very high94.6Very high47 Ų4737.9 Ų37.923%0.23219%0.187CC..EExtended strand (participates in β ladder)trans-115.2108.6179.8-65.2179.8-8300109.9I25 Y158 E159I25-M48 HydrophobicContact CD1-CB 4.38Å; I25-M48 HydrophobicContact CD1-CG 4.17Å; I25-M48 HydrophobicContact CD1-SD 4.22Å; I25-M48 HydrophobicContact CG2-CB 4.3Å; M48-Y158 CarbonylContact O-C 3.48Å; M48-Y158 WeakPolarHBondContact O-CA 3.37Å; M48-Y158 WeakPolarHBondContact O-CB 3.35Å; M48-E159 HydrophobicContact CB-CB 4.24Å; M48-E159 HydrophobicContact CE-CB 4.03Å; M48-E159 HydrophobicContact CE-CG 3.59Å; M48-E159 PolarHBondContact N-O 3.22Å; M48-E159 PolarHBondContact O-N 2.81Å
49I97.6Very high94.7Very high0 Ų031.8 Ų31.80%016%0.164CC..EExtended strand (participates in β ladder)trans-120.1127.5176.9-56.7176.9000108I25 L26 F36 I45 P46 D51 A74 L78I25-I49 CarbonylContact C-O 3.55Å; I25-I49 WeakPolarHBondContact CA-O 3.31Å; L26-I49 HydrophobicContact CB-CB 4.32Å; L26-I49 VanDerWaalsContact CB-O 3.3Å; L26-I49 WeakPolarHBondContact CB-O 3.33Å; L26-I49 HydrophobicContact CD2-CB 4.46Å; L26-I49 PolarHBondContact N-O 3.01Å; F36-I49 HydrophobicContact CD1-CD1 4.24Å; F36-I49 HydrophobicContact CE1-CD1 3.72Å; F36-I49 HydrophobicContact CE1-CG2 4.04Å; F36-I49 HydrophobicContact CE2-CG2 4.28Å; F36-I49 HydrophobicContact CZ-CD1 4.43Å; F36-I49 HydrophobicContact CZ-CG2 3.71Å; I45-I49 HydrophobicContact CB-CD1 3.85Å; I45-I49 HydrophobicContact CD1-CD1 3.29Å; I45-I49 HydrophobicContact CG1-CD1 3.75Å; P46-I49 HydrophobicContact CB-CD1 4.28Å; P46-I49 HydrophobicContact CB-CG1 3.82Å; P46-I49 HydrophobicContact CG-CD1 4.37Å; P46-I49 HydrophobicContact CG-CG1 4.25Å; P46-I49 WeakPolarHBondContact O-CG1 3.3Å; I49-D51 HydrophobicContact CG2-CB 4.2Å; I49-D51 PolarHBondContact O-N 2.91Å; I49-A74 HydrophobicContact CG2-CB 3.95Å; I49-L78 HydrophobicContact CD1-CD1 4Å
50F97.1Very high94.6Very high39 Ų3929.5 Ų29.517%0.17115%0.148CC..  trans-98.175170.6-58-98.7000108.2I25 Q52 N53 T156 L157I25-F50 HydrophobicContact CB-CE1 4.49Å; I25-F50 HydrophobicContact CD1-CE1 4.15Å; I25-F50 HydrophobicContact CD1-CZ 3.89Å; I25-F50 HydrophobicContact CG1-CD1 3.84Å; I25-F50 HydrophobicContact CG1-CE1 3.31Å; I25-F50 HydrophobicContact CG1-CE2 4.11Å; I25-F50 HydrophobicContact CG1-CG 4.45Å; I25-F50 HydrophobicContact CG1-CZ 3.46Å; I25-F50 VanDerWaalsContact CG1-CZ 3.46Å; F50-Q52 PolarHBondContact O-N 3.15Å; F50-N53 HydrophobicContact CB-CB 3.7Å; F50-N53 WeakPolarHBondContact CB-ND2 3.38Å; F50-N53 WeakPolarHBondContact CD1-ND2 3.32Å; F50-N53 WeakPolarHBondContact CG-ND2 3.41Å; F50-N53 WeakPolarHBondContact O-CB 3.45Å; F50-N53 PolarHBondContact O-N 3.39Å; F50-T156 HydrophobicContact CD2-CG2 4.18Å; F50-T156 WeakPolarHBondContact CD2-O 3.3Å; F50-T156 HydrophobicContact CE2-CG2 3.95Å; F50-L157 PolarHBondContact N-O 3.29Å
51D95.3Very high94.3Very high36 Ų3630.5 Ų30.519%0.19315%0.152CC..THydrogen-bonded Turntrans-59.9-31.5-169.466.2-52.3000113.4L26 F36 I49L26-D51 HydrophobicContact CB-CB 4.3Å; L26-D51 HydrophobicContact CD1-CB 4.47Å; L26-D51 HydrophobicContact CD2-CB 4.37Å; F36-D51 HydrophobicContact CD2-CB 3.81Å; F36-D51 HydrophobicContact CE2-CB 3.66Å; I49-D51 HydrophobicContact CG2-CB 4.2Å; I49-D51 PolarHBondContact O-N 2.91Å
52Q94.8Very high94Very high62 Ų6228.9 Ų28.929%0.2916%0.156SC..THydrogen-bonded Turntrans-96.4-4.6178.6-53-173.820.300113.5H23 F50 S54H23-Q52 HydrophobicContact CB-CB 3.81Å; F50-Q52 PolarHBondContact O-N 3.15Å; Q52-S54 PolarHBondContact O-N 3.24Å
53N96.5Very high93.8Very high6 Ų632.8 Ų32.83%0.03218%0.176CC..  trans-68.3131172.7-75.67.4000109.2K21 E22 H23 F50 T155 T156 L157K21-N53 VanDerWaalsContact O-CA 3.3Å; K21-N53 WeakPolarHBondContact O-CA 3.38Å; E22-N53 WeakPolarHBondContact CA-OD1 3.33Å; H23-N53 PolarHBondContact N-OD1 2.87Å; H23-N53 PolarHBondContact O-OD1 2.85Å; F50-N53 HydrophobicContact CB-CB 3.7Å; F50-N53 WeakPolarHBondContact CB-ND2 3.38Å; F50-N53 WeakPolarHBondContact CD1-ND2 3.32Å; F50-N53 WeakPolarHBondContact CG-ND2 3.41Å; F50-N53 WeakPolarHBondContact O-CB 3.45Å; F50-N53 PolarHBondContact O-N 3.39Å; N53-T155 PolarHBondContact ND2-OG1 2.87Å; N53-T156 PolarHBondContact ND2-O 3.2Å; N53-L157 HydrophobicContact CB-CD2 4.24Å
54S97.5Very high93.6Very high9 Ų935.5 Ų35.56%0.06319%0.188CC..EExtended strand (participates in β ladder)trans-153146.4173.451.60000111.9L20 K21 Q52 F72L20-S54 WeakPolarHBondContact CA-O 3.3Å; K21-S54 PolarHBondContact N-O 2.98Å; K21-S54 PolarHBondContact O-N 2.88Å; Q52-S54 PolarHBondContact O-N 3.24Å; S54-F72 WeakPolarHBondContact CA-O 3.12Å
55L98.2Very high93.5Very high0 Ų039.9 Ų39.90%021%0.205CC..EExtended strand (participates in β ladder)trans-119122.1166.4-174.474.7000108.3I18 I19 L20 F72 I172 F174 L183I18-L55 HydrophobicContact CG2-CD1 3.77Å; I19-L55 WeakPolarHBondContact O-CA 3.33Å; L20-L55 HydrophobicContact CB-CD1 4.09Å; L20-L55 HydrophobicContact CD1-CD1 4.18Å; L55-F72 PolarHBondContact N-O 3.49Å; L55-F72 PolarHBondContact O-N 2.77Å; L55-I172 HydrophobicContact CB-CD1 4.5Å; L55-I172 HydrophobicContact CD2-CG2 3.68Å; L55-F174 HydrophobicContact CD2-CB 3.71Å; L55-F174 HydrophobicContact CD2-CD2 4.03Å; L55-F174 HydrophobicContact CD2-CG 4.03Å; L55-L183 HydrophobicContact CD2-CD1 3.51Å
56S98.1Very high93.4Very high4 Ų444.1 Ų44.13%0.02823%0.225CC..EExtended strand (participates in β ladder)trans-114.4135176.8-63.10000110.4I18 I19 K69 I70 E71I18-S56 CarbonylContact C-O 3.57Å; I18-S56 VanDerWaalsContact CA-O 3.31Å; I18-S56 WeakPolarHBondContact CA-O 3.46Å; I19-S56 PolarHBondContact N-O 3.28Å; I19-S56 PolarHBondContact O-N 3.14Å; S56-K69 VanDerWaalsContact CB-CE 3.4Å; S56-K69 WeakPolarHBondContact OG-CE 3.11Å; S56-K69 PolarHBondContact OG-NZ 3.26Å; S56-I70 CarbonylContact C-O 3.53Å; S56-I70 WeakPolarHBondContact CA-O 3.4Å; S56-E71 PolarHBondContact OG-OE1 3.12Å; S56-E71 VanDerWaalsContact OG-OE1 3.05Å
57I98Very high93.3Very high0 Ų045.2 Ų45.20%023%0.23CC..EExtended strand (participates in β ladder)trans-114.7107.1169.9-58.4166000106.6W16 I18 K69 I70 F174 F181 L183 L203W16-I57 HydrophobicContact CD2-CG2 4.4Å; W16-I57 HydrophobicContact CE3-CG2 3.51Å; W16-I57 HydrophobicContact CZ3-CG2 3.89Å; I18-I57 HydrophobicContact CG1-CG1 4.22Å; I57-K69 WeakPolarHBondContact O-CA 3.15Å; I57-I70 HydrophobicContact CB-CG2 3.7Å; I57-I70 HydrophobicContact CD1-CG2 4.3Å; I57-I70 HydrophobicContact CG1-CG2 4.42Å; I57-I70 HydrophobicContact CG2-CG2 4.43Å; I57-I70 PolarHBondContact N-O 3.17Å; I57-I70 PolarHBondContact O-N 3.18Å; I57-F174 HydrophobicContact CD1-CD2 4.35Å; I57-F174 HydrophobicContact CD1-CE2 3.92Å; I57-F174 HydrophobicContact CG1-CE2 4.3Å; I57-F181 HydrophobicContact CD1-CE2 4.08Å; I57-F181 HydrophobicContact CG2-CE1 4.38Å; I57-F181 HydrophobicContact CG2-CE2 4.3Å; I57-F181 HydrophobicContact CG2-CZ 3.76Å; I57-L183 HydrophobicContact CD1-CD1 3.77Å; I57-L203 HydrophobicContact CD1-CD1 3.84Å
58C97.3Very high93.5Very high0 Ų041.1 Ų41.10%021%0.211CC..EExtended strand (participates in β ladder)trans-102.8131.2-178.1-54.20000110W16 L17 Q66 C68W16-C58 CarbonylContact C-O 3.57Å; W16-C58 WeakPolarHBondContact CA-O 3.26Å; L17-C58 HydrophobicContact CB-CB 4.34Å; L17-C58 PolarHBondContact N-O 2.87Å; L17-C58 PolarHBondContact O-N 3.46Å; C58-Q66 HydrophobicContact CB-CB 4.38Å; C58-Q66 HydrophobicContact CB-CG 3.97Å; C58-Q66 PolarHBondContact SG-OE1 2.91Å; C58-C68 CarbonylContact C-O 3.57Å; C58-C68 VanDerWaalsContact CA-O 3.32Å; C58-C68 WeakPolarHBondContact CA-O 3.42Å
59Y96.3Very high93.5Very high56 Ų5641 Ų4122%0.2221%0.209CC..EExtended strand (participates in β ladder)trans-87.4125.5165.2-174-104.7000109.3D15 W16 I67 C68 P253D15-Y59 HydrophobicContact CB-CD2 4.06Å; D15-Y59 HydrophobicContact CB-CE2 3.53Å; W16-Y59 HydrophobicContact CD2-CD2 4.05Å; W16-Y59 AromaticContact CE2-CD2 3.77Å; W16-Y59 HydrophobicContact CE3-CD2 4.21Å; W16-Y59 AromaticContact CH2-CD2 3.93Å; W16-Y59 HydrophobicContact CH2-CD2 3.93Å; W16-Y59 HydrophobicContact CH2-CG 4.31Å; W16-Y59 AromaticContact CZ2-CD2 3.72Å; W16-Y59 HydrophobicContact CZ2-CD2 3.72Å; W16-Y59 HydrophobicContact CZ2-CE2 4.43Å; W16-Y59 HydrophobicContact CZ3-CD2 4.17Å; W16-Y59 HydrophobicContact CZ3-CG 4.37Å; Y59-I67 HydrophobicContact CD1-CD1 4.24Å; Y59-I67 HydrophobicContact CE1-CD1 4.34Å; Y59-I67 PolarHBondContact O-N 2.81Å; Y59-C68 PolarHBondContact N-O 2.93Å; Y59-C68 PolarHBondContact O-N 3.33Å; Y59-P253 HydrophobicContact CD1-CB 3.48Å; Y59-P253 VanDerWaalsContact CD1-CB 3.48Å; Y59-P253 HydrophobicContact CD1-CG 3.65Å; Y59-P253 HydrophobicContact CD2-CB 4.3Å; Y59-P253 HydrophobicContact CD2-CG 3.72Å; Y59-P253 HydrophobicContact CE1-CB 4.09Å; Y59-P253 HydrophobicContact CE1-CG 3.92Å; Y59-P253 HydrophobicContact CE2-CG 4Å; Y59-P253 HydrophobicContact CG-CB 3.6Å; Y59-P253 HydrophobicContact CG-CG 3.54Å
60C93.6Very high93.5Very high0 Ų041 Ų410%021%0.209CC..EExtended strand (participates in β ladder)trans-113.6148.1-177.3-65.60000112.1R12 D15 E65R12-C60 PolarHBondContact NH1-SG 3.09Å; D15-C60 WeakPolarHBondContact O-CB 3.2Å; D15-C60 PolarHBondContact O-N 2.91Å; C60-E65 CarbonylContact C-O 3.52Å; C60-E65 WeakPolarHBondContact CA-O 3.41Å
61Q87.9Confident93.6Very high37 Ų3741 Ų4117%0.17321%0.21CC..  trans-73.9169.5165-76.9-174-19.500111.9N63 N64 E65 I67Q61-N63 WeakPolarHBondContact CB-OD1 3.29Å; Q61-N63 PolarHBondContact O-N 3.45Å; Q61-N63 VanDerWaalsContact O-N 3.15Å; Q61-N64 WeakPolarHBondContact O-CA 3.5Å; Q61-N64 PolarHBondContact O-N 2.78Å; Q61-E65 PolarHBondContact N-O 2.96Å; Q61-I67 HydrophobicContact CB-CD1 4.47Å; Q61-I67 HydrophobicContact CG-CD1 3.21Å; Q61-I67 HydrophobicContact CG-CG1 3.66Å
62P83Confident93.8Very high123 Ų12339.3 Ų39.380%0.79920%0.201SC*.THydrogen-bonded Turntrans-57.5-24.9173.6-27.235.8000114.7N64P62-N64 PolarHBondContact O-N 2.87Å
63N86.2Confident93.9Very high99 Ų9937.2 Ų37.253%0.52919%0.192SC..THydrogen-bonded Turntrans-79.85.3173.669.3-8.2000113.4Q61 E65Q61-N63 WeakPolarHBondContact CB-OD1 3.29Å; Q61-N63 PolarHBondContact O-N 3.45Å; Q61-N63 VanDerWaalsContact O-N 3.15Å; N63-E65 VanDerWaalsContact C-N 3.26Å; N63-E65 PolarHBondContact ND2-OE2 2.92Å; N63-E65 VanDerWaalsContact ND2-OE2 3.12Å; N63-E65 PolarHBondContact O-N 2.83Å; N63-E65 WeakPolarHBondContact OD1-CB 3.5Å; N63-E65 PolarHBondContact OD1-N 3.49Å
64N81.8Confident94Very high112 Ų11237 Ų3760%0.59919%0.19SC*.  trans66.812.2-173.1-64.5-47.7000116.3Q61 P62 Q66Q61-N64 WeakPolarHBondContact O-CA 3.5Å; Q61-N64 PolarHBondContact O-N 2.78Å; P62-N64 PolarHBondContact O-N 2.87Å; N64-Q66 PolarHBondContact O-N 2.86Å
65E88.5Confident94Very high113 Ų11338.6 Ų38.653%0.52820%0.198SC..  trans-70.6128172.7-172.6173.8-179.300110.7C60 Q61 N63 I67C60-E65 CarbonylContact C-O 3.52Å; C60-E65 WeakPolarHBondContact CA-O 3.41Å; Q61-E65 PolarHBondContact N-O 2.96Å; N63-E65 VanDerWaalsContact C-N 3.26Å; N63-E65 PolarHBondContact ND2-OE2 2.92Å; N63-E65 VanDerWaalsContact ND2-OE2 3.12Å; N63-E65 PolarHBondContact O-N 2.83Å; N63-E65 WeakPolarHBondContact OD1-CB 3.5Å; N63-E65 PolarHBondContact OD1-N 3.49Å; E65-I67 PolarHBondContact O-N 3.3Å
66Q90.3Very high94Very high97 Ų9740.3 Ų40.345%0.45321%0.207SC..EExtended strand (participates in β ladder)trans-79.4110.7176.3-63.517535.300109.1C58 N64C58-Q66 HydrophobicContact CB-CB 4.38Å; C58-Q66 HydrophobicContact CB-CG 3.97Å; C58-Q66 PolarHBondContact SG-OE1 2.91Å; N64-Q66 PolarHBondContact O-N 2.86Å
67I92.2Very high94.1Very high23 Ų2340.1 Ų40.112%0.11821%0.206CC..EExtended strand (participates in β ladder)trans-90.5-47.1179.6-51.1162.8000111Y59 Q61 E65 G127 P128 Q254 V256Y59-I67 HydrophobicContact CD1-CD1 4.24Å; Y59-I67 HydrophobicContact CE1-CD1 4.34Å; Y59-I67 PolarHBondContact O-N 2.81Å; Q61-I67 HydrophobicContact CB-CD1 4.47Å; Q61-I67 HydrophobicContact CG-CD1 3.21Å; Q61-I67 HydrophobicContact CG-CG1 3.66Å; E65-I67 PolarHBondContact O-N 3.3Å; I67-G127 WeakPolarHBondContact O-CA 3.32Å; I67-P128 HydrophobicContact CG2-CG 3.79Å; I67-Q254 WeakPolarHBondContact CG2-O 3.47Å; I67-V256 HydrophobicContact CG2-CG2 3.8Å
68C96.1Very high94.1Very high1 Ų140.1 Ų40.11%0.00721%0.206CC..EExtended strand (participates in β ladder)trans-126.3141.9-172.1-64.50000108.7C58 Y59 S126 P128 W129 P253C58-C68 CarbonylContact C-O 3.57Å; C58-C68 VanDerWaalsContact CA-O 3.32Å; C58-C68 WeakPolarHBondContact CA-O 3.42Å; Y59-C68 PolarHBondContact N-O 2.93Å; Y59-C68 PolarHBondContact O-N 3.33Å; C68-S126 CarbonylContact C-O 3.55Å; C68-S126 WeakPolarHBondContact CA-O 3.32Å; C68-P128 PolarHBondContact SG-O 3.07Å; C68-W129 HydrophobicContact CB-CD2 4.06Å; C68-W129 VanDerWaalsContact CB-CE2 3.46Å; C68-W129 HydrophobicContact CB-CH2 4.07Å; C68-W129 HydrophobicContact CB-CZ2 3.48Å; C68-W129 VanDerWaalsContact CB-CZ2 3.48Å; C68-P253 HydrophobicContact CB-CB 3.88Å
69K97.3Very high94.1Very high45 Ų4545.3 Ų45.320%0.19623%0.228CC..EExtended strand (participates in β ladder)trans-143.9135.9179.2167.5-166.9-168.9-152.70109.8S56 I57 E71 S126 W129S56-K69 VanDerWaalsContact CB-CE 3.4Å; S56-K69 WeakPolarHBondContact OG-CE 3.11Å; S56-K69 PolarHBondContact OG-NZ 3.26Å; I57-K69 WeakPolarHBondContact O-CA 3.15Å; K69-E71 IonicContact NZ-OE1 3.77Å; K69-E71 PolarHBondContact NZ-OE1 3.03Å; K69-E71 IonicContact NZ-OE2 3.54Å; K69-E71 PolarHBondContact NZ-OE2 3.46Å; K69-S126 WeakPolarHBondContact CB-OG 3.35Å; K69-S126 PolarHBondContact N-O 2.76Å; K69-S126 PolarHBondContact O-N 3.42Å; K69-S126 PolarHBondContact O-OG 2.82Å; K69-W129 PolarHBondContact O-NE1 3.11Å
70I98.4Very high94.1Very high0 Ų046.9 Ų46.90%024%0.24CC..EExtended strand (participates in β ladder)trans-107.9126.7161.1-175164.3000108.3S56 I57 F72 T124 L125 L203 L251S56-I70 CarbonylContact C-O 3.53Å; S56-I70 WeakPolarHBondContact CA-O 3.4Å; I57-I70 HydrophobicContact CB-CG2 3.7Å; I57-I70 HydrophobicContact CD1-CG2 4.3Å; I57-I70 HydrophobicContact CG1-CG2 4.42Å; I57-I70 HydrophobicContact CG2-CG2 4.43Å; I57-I70 PolarHBondContact N-O 3.17Å; I57-I70 PolarHBondContact O-N 3.18Å; I70-F72 HydrophobicContact CD1-CE2 4.1Å; I70-F72 HydrophobicContact CD1-CZ 3.86Å; I70-F72 HydrophobicContact CG1-CE2 3.84Å; I70-F72 HydrophobicContact CG1-CZ 4.05Å; I70-F72 HydrophobicContact CG2-CE2 4.37Å; I70-T124 CarbonylContact C-O 3.56Å; I70-T124 WeakPolarHBondContact CA-O 3.26Å; I70-L125 HydrophobicContact CB-CD2 3.72Å; I70-L125 HydrophobicContact CD1-CD2 3.8Å; I70-L125 HydrophobicContact CG1-CD2 3.81Å; I70-L203 HydrophobicContact CD1-CD1 3.93Å; I70-L203 HydrophobicContact CD1-CD2 4.38Å; I70-L203 HydrophobicContact CG2-CD1 4.11Å; I70-L251 HydrophobicContact CD1-CD2 4.47Å
71E98.4Very high94.2Very high39 Ų3947 Ų4718%0.18224%0.241CC..EExtended strand (participates in β ladder)trans-119.4142.1-178.2-174.6160.6-124.400111S56 K69 Y121 G123 T124S56-E71 PolarHBondContact OG-OE1 3.12Å; S56-E71 VanDerWaalsContact OG-OE1 3.05Å; K69-E71 IonicContact NZ-OE1 3.77Å; K69-E71 PolarHBondContact NZ-OE1 3.03Å; K69-E71 IonicContact NZ-OE2 3.54Å; K69-E71 PolarHBondContact NZ-OE2 3.46Å; E71-Y121 PolarHBondContact O-OH 2.86Å; E71-G123 CarbonylContact O-C 3.54Å; E71-G123 WeakPolarHBondContact O-CA 3.34Å; E71-T124 PolarHBondContact N-O 3.16Å; E71-T124 PolarHBondContact O-N 3.18Å
72F98.7Very high94.4Very high0 Ų047.6 Ų47.60%025%0.245CC..EExtended strand (participates in β ladder)trans-118.8115.6175.1-63.6-90000108.3S54 L55 I70 Y121 I172 L183 Q185 L203S54-F72 WeakPolarHBondContact CA-O 3.12Å; L55-F72 PolarHBondContact N-O 3.49Å; L55-F72 PolarHBondContact O-N 2.77Å; I70-F72 HydrophobicContact CD1-CE2 4.1Å; I70-F72 HydrophobicContact CD1-CZ 3.86Å; I70-F72 HydrophobicContact CG1-CE2 3.84Å; I70-F72 HydrophobicContact CG1-CZ 4.05Å; I70-F72 HydrophobicContact CG2-CE2 4.37Å; F72-Y121 HydrophobicContact CD1-CE1 4.05Å; F72-I172 HydrophobicContact CB-CD1 3.42Å; F72-I172 VanDerWaalsContact CB-CD1 3.42Å; F72-I172 HydrophobicContact CB-CG1 4.4Å; F72-I172 HydrophobicContact CG-CD1 4.25Å; F72-L183 HydrophobicContact CD2-CD1 3.83Å; F72-L183 HydrophobicContact CE1-CD2 4.09Å; F72-L183 HydrophobicContact CE2-CD1 3.47Å; F72-L183 VanDerWaalsContact CE2-CD1 3.47Å; F72-L183 HydrophobicContact CE2-CD2 4.12Å; F72-L183 HydrophobicContact CE2-CG 4.49Å; F72-L183 HydrophobicContact CZ-CD1 3.98Å; F72-L183 HydrophobicContact CZ-CD2 3.74Å; F72-Q185 HydrophobicContact CD1-CB 4.34Å; F72-Q185 HydrophobicContact CD1-CG 4.38Å; F72-Q185 HydrophobicContact CE1-CB 4.21Å; F72-Q185 VanDerWaalsContact CE1-OE1 3.26Å; F72-L203 HydrophobicContact CE2-CD1 3.84Å; F72-L203 HydrophobicContact CZ-CD1 3.74Å; F72-L203 HydrophobicContact CZ-CG 4.39Å
73N98.2Very high94.7Very high18 Ų1843.1 Ų43.110%0.09622%0.216CC..EExtended strand (participates in β ladder)trans-146.2157.7-178.470.278.6000110.7L75 D76 A77N73-L75 PolarHBondContact OD1-N 3.41Å; N73-D76 PolarHBondContact ND2-OD2 2.93Å; N73-D76 PolarHBondContact OD1-N 2.9Å; N73-A77 WeakPolarHBondContact O-CB 3.42Å; N73-A77 PolarHBondContact O-N 3.41Å
74A98.2Very high94.6Very high0 Ų044.3 Ų44.30%022%0.216CC..Hα-helixtrans-67.8-38.5-175.400000113I49 A77 L78 L157I49-A74 HydrophobicContact CG2-CB 3.95Å; A74-A77 PolarHBondContact O-N 2.88Å; A74-L78 WeakPolarHBondContact O-CB 3.33Å; A74-L78 WeakPolarHBondContact O-CG 3.32Å; A74-L78 PolarHBondContact O-N 3.04Å; A74-L157 HydrophobicContact CB-CB 4.08Å; A74-L157 WeakPolarHBondContact CB-O 3.4Å
75L98Very high94.6Very high44 Ų4443.7 Ų43.723%0.2321%0.213CC..Hα-helixtrans-63.1-52.7-174.8175.758.7000112F36 S39 L40 N73 A77 L78 K79F36-L75 HydrophobicContact CE2-CB 3.92Å; F36-L75 HydrophobicContact CE2-CD1 4.1Å; F36-L75 HydrophobicContact CZ-CB 4.21Å; F36-L75 HydrophobicContact CZ-CD1 4.18Å; S39-L75 WeakPolarHBondContact OG-CD1 3.37Å; L40-L75 HydrophobicContact CD2-CD1 3.99Å; L40-L75 HydrophobicContact CG-CD1 4.3Å; N73-L75 PolarHBondContact OD1-N 3.41Å; L75-A77 VanDerWaalsContact C-N 3.25Å; L75-A77 PolarHBondContact O-N 2.66Å; L75-L78 PolarHBondContact O-N 2.97Å; L75-K79 HydrophobicContact CD1-CG 4.49Å; L75-K79 WeakPolarHBondContact O-CG 3.45Å; L75-K79 PolarHBondContact O-N 3.19Å
76D98.4Very high93.9Very high36 Ų3640.3 Ų40.319%0.19320%0.198CC..Hα-helixtrans-66.8-32-179.3-67-20.9000111.6N73 K79 Y121 T124N73-D76 PolarHBondContact ND2-OD2 2.93Å; N73-D76 PolarHBondContact OD1-N 2.9Å; D76-K79 IonicContact OD1-NZ 3.04Å; D76-Y121 HydrophobicContact CB-CD2 4.48Å; D76-Y121 HydrophobicContact CB-CE2 3.62Å; D76-T124 WeakPolarHBondContact CB-OG1 3.29Å; D76-T124 WeakPolarHBondContact OD2-CB 3.26Å; D76-T124 PolarHBondContact OD2-OG1 3.25Å
77A98.5Very high93Very high0 Ų039.1 Ų39.10%020%0.198CC..Hα-helixtrans-64.7-45.6173.200000112N73 A74 L75 K79 L80 T119 Y121 Y158 L170N73-A77 WeakPolarHBondContact O-CB 3.42Å; N73-A77 PolarHBondContact O-N 3.41Å; A74-A77 PolarHBondContact O-N 2.88Å; L75-A77 VanDerWaalsContact C-N 3.25Å; L75-A77 PolarHBondContact O-N 2.66Å; A77-K79 VanDerWaalsContact C-N 3.35Å; A77-L80 PolarHBondContact O-N 2.82Å; A77-T119 HydrophobicContact CB-CG2 4.35Å; A77-T119 WeakPolarHBondContact O-CB 3.5Å; A77-T119 PolarHBondContact O-OG1 2.82Å; A77-Y121 HydrophobicContact CB-CD1 3.61Å; A77-Y121 HydrophobicContact CB-CD2 4.28Å; A77-Y121 HydrophobicContact CB-CE1 4.13Å; A77-Y121 HydrophobicContact CB-CG 3.7Å; A77-Y158 HydrophobicContact CB-CE1 4.19Å; A77-L170 HydrophobicContact CB-CD2 3.46Å; A77-L170 VanDerWaalsContact CB-CD2 3.46Å
78L98.2Very high92.1Very high0 Ų038.9 Ų38.90%020%0.197CC..Hα-helixtrans-71.1-27.8-179.8-72.3172.5000113.1F36 L40 P46 I49 A74 L75 L80 V81 F117 Y158F36-L78 HydrophobicContact CE1-CD1 3.81Å; F36-L78 HydrophobicContact CZ-CD1 3.96Å; L40-L78 HydrophobicContact CD1-CB 3.94Å; L40-L78 HydrophobicContact CD1-CD1 4.18Å; L40-L78 HydrophobicContact CD2-CB 3.79Å; P46-L78 HydrophobicContact CG-CD1 4.24Å; P46-L78 HydrophobicContact CG-CD2 3.77Å; I49-L78 HydrophobicContact CD1-CD1 4Å; A74-L78 WeakPolarHBondContact O-CB 3.33Å; A74-L78 WeakPolarHBondContact O-CG 3.32Å; A74-L78 PolarHBondContact O-N 3.04Å; L75-L78 PolarHBondContact O-N 2.97Å; L78-L80 PolarHBondContact O-N 2.83Å; L78-V81 HydrophobicContact CD2-CG2 4.04Å; L78-V81 WeakPolarHBondContact O-CB 3.19Å; L78-V81 PolarHBondContact O-N 3.39Å; L78-V81 VanDerWaalsContact O-N 3.14Å; L78-F117 HydrophobicContact CD2-CB 4.43Å; L78-Y158 HydrophobicContact CD1-CD1 4.33Å; L78-Y158 HydrophobicContact CD2-CD1 3.94Å; L78-Y158 HydrophobicContact CD2-CD2 4.42Å; L78-Y158 HydrophobicContact CD2-CE1 3.73Å; L78-Y158 HydrophobicContact CD2-CE2 4.25Å; L78-Y158 HydrophobicContact CD2-CG 4.28Å; L78-Y158 HydrophobicContact CG-CD1 3.96Å; L78-Y158 HydrophobicContact CG-CE1 3.97Å
79K97.1Very high90.7Very high108 Ų10846.5 Ų46.547%0.4723%0.232SC..THydrogen-bonded Turntrans-61.6-20.6171.5-77.6176.1-175.5161.80113.7L40 L75 D76 A77L40-K79 HydrophobicContact CD2-CB 4.39Å; L40-K79 HydrophobicContact CD2-CG 3.68Å; L75-K79 HydrophobicContact CD1-CG 4.49Å; L75-K79 WeakPolarHBondContact O-CG 3.45Å; L75-K79 PolarHBondContact O-N 3.19Å; D76-K79 IonicContact OD1-NZ 3.04Å; A77-K79 VanDerWaalsContact C-N 3.35Å
80L96.6Very high89.2Confident90 Ų9045.2 Ų45.247%0.47123%0.228SC..THydrogen-bonded Turntrans-95.9-2.3178.8-60.8-179.1000113.6A77 L78 P120 Y121A77-L80 PolarHBondContact O-N 2.82Å; L78-L80 PolarHBondContact O-N 2.83Å; L80-P120 HydrophobicContact CB-CG 4.03Å; L80-P120 VanDerWaalsContact O-CD 3.32Å; L80-P120 WeakPolarHBondContact O-CD 3.47Å; L80-Y121 HydrophobicContact CD1-CD2 3.8Å; L80-Y121 HydrophobicContact CD1-CG 4.44Å
81V96Very high87.4Confident3 Ų350.9 Ų50.92%0.01827%0.265CS..SBendtrans-68.4137.1170.3175.80000108.4L42 L78 P83 D114 F117L42-V81 HydrophobicContact CD1-CB 4.05Å; L42-V81 HydrophobicContact CD1-CG1 4.17Å; L42-V81 HydrophobicContact CD2-CB 4.11Å; L42-V81 HydrophobicContact CD2-CG1 3.84Å; L78-V81 HydrophobicContact CD2-CG2 4.04Å; L78-V81 WeakPolarHBondContact O-CB 3.19Å; L78-V81 PolarHBondContact O-N 3.39Å; L78-V81 VanDerWaalsContact O-N 3.14Å; V81-P83 VanDerWaalsContact O-CD 3.23Å; V81-P83 WeakPolarHBondContact O-CD 3.19Å; V81-D114 HydrophobicContact CG1-CB 3.99Å; V81-D114 WeakPolarHBondContact CG1-O 3.31Å; V81-F117 HydrophobicContact CG2-CB 4.49Å
82D91.8Very high85.7Confident49 Ų4951.6 Ų51.626%0.26227%0.267SS..  trans-67116.2-176.2-167.1-36000110.9K84 N85 D114D82-K84 VanDerWaalsContact C-N 3.25Å; D82-K84 PolarHBondContact O-N 3.33Å; D82-K84 WeakPolarHBondContact OD1-CA 3.3Å; D82-K84 PolarHBondContact OD1-N 2.79Å; D82-N85 PolarHBondContact OD1-N 2.81Å; D82-N85 PolarHBondContact OD1-ND2 2.82Å; D82-N85 WeakPolarHBondContact OD2-CB 3.34Å; D82-N85 PolarHBondContact OD2-ND2 2.92Å; D82-D114 HydrophobicContact CB-CB 4.11Å; D82-D114 PolarHBondContact O-N 2.83Å
83P89Confident83.8Confident29 Ų2951.6 Ų51.619%0.18827%0.267CS..SBendtrans-83.5-0-177.433.9-33.4000113.4E41 L42 V81 P112E41-P83 HydrophobicContact CB-CB 3.91Å; E41-P83 HydrophobicContact CB-CG 4.31Å; L42-P83 HydrophobicContact CD2-CB 4.15Å; V81-P83 VanDerWaalsContact O-CD 3.23Å; V81-P83 WeakPolarHBondContact O-CD 3.19Å; P83-P112 CarbonylContact C-O 3.58Å; P83-P112 VanDerWaalsContact O-O 3.11Å
84K84.4Confident82Confident123 Ų12356.9 Ų56.954%0.53529%0.29SS..SBendtrans-132.8-32.6-167.6-70.2171.7-169.9166.60114.2D82 P112D82-K84 VanDerWaalsContact C-N 3.25Å; D82-K84 PolarHBondContact O-N 3.33Å; D82-K84 WeakPolarHBondContact OD1-CA 3.3Å; D82-K84 PolarHBondContact OD1-N 2.79Å; K84-P112 CarbonylContact C-O 3.56Å; K84-P112 WeakPolarHBondContact CA-O 3.44Å; K84-P112 PolarHBondContact N-O 2.86Å; K84-P112 CarbonylContact O-C 3.6Å; K84-P112 WeakPolarHBondContact O-CB 3.47Å; K84-P112 VanDerWaalsContact O-CG 3.26Å; K84-P112 WeakPolarHBondContact O-CG 3.42Å
85N81.6Confident80.2Confident99 Ų9962.6 Ų62.653%0.52932%0.32SS..  trans-113.8146.1-174.8-50.2-67.8000111.4D82 Y113 D114D82-N85 PolarHBondContact OD1-N 2.81Å; D82-N85 PolarHBondContact OD1-ND2 2.82Å; D82-N85 WeakPolarHBondContact OD2-CB 3.34Å; D82-N85 PolarHBondContact OD2-ND2 2.92Å; N85-Y113 CarbonylContact O-C 3.29Å; N85-D114 PolarHBondContact O-N 2.86Å
86I75.5Confident78.4Confident42 Ų4261.1 Ų61.122%0.21531%0.311CS..  trans-92.3119.5173-63170.3000107.2I88 E89 P112I86-I88 WeakPolarHBondContact CG2-O 3.3Å; I86-E89 HydrophobicContact CG2-CG 4.15Å; I86-P112 HydrophobicContact CD1-CB 3.93Å; I86-P112 HydrophobicContact CG1-CB 3.92Å
87T71.1Confident76.7Confident72 Ų7262.8 Ų62.844%0.44232%0.315SS..SBendtrans-81.3-24.2174.844.80000112.9D114T87-D114 PolarHBondContact OG1-OD1 2.92Å; T87-D114 PolarHBondContact OG1-OD2 2.82Å
88I73.6Confident75Confident18 Ų1866.4 Ų66.49%0.09233%0.334CS..  trans-134.9123.7-178.1-59.5167000111.4I86 V90 T116 L189 I191 V195 R197I86-I88 WeakPolarHBondContact CG2-O 3.3Å; I88-V90 HydrophobicContact CG2-CG2 4.11Å; I88-T116 HydrophobicContact CD1-CG2 4.29Å; I88-L189 HydrophobicContact CD1-CD2 3.54Å; I88-I191 HydrophobicContact CB-CD1 4.21Å; I88-I191 HydrophobicContact CD1-CD1 3.67Å; I88-I191 HydrophobicContact CG2-CD1 3.76Å; I88-V195 HydrophobicContact CD1-CG1 3.61Å; I88-V195 HydrophobicContact CG1-CG1 4.35Å; I88-V195 HydrophobicContact CG2-CG1 4.3Å; I88-R197 VanDerWaalsContact CD1-CZ 3.45Å
89E66.1Low73.3Confident162 Ų16269.3 Ų69.376%0.75736%0.355SS*.  trans-105.2114.1168.2-65.2-167.6160.300109.9I86I86-E89 HydrophobicContact CG2-CG 4.15Å
90V65.8Low71.7Confident17 Ų1766.7 Ų66.710%0.10334%0.342CS..  trans-115.8151.2170.2-107.40000109.5I88 F92 A93 W115 I191I88-V90 HydrophobicContact CG2-CG2 4.11Å; V90-F92 VanDerWaalsContact C-N 3.35Å; V90-F92 HydrophobicContact CB-CE1 4.12Å; V90-F92 HydrophobicContact CB-CE2 4.05Å; V90-F92 HydrophobicContact CB-CZ 3.79Å; V90-F92 HydrophobicContact CG1-CE1 4.24Å; V90-F92 HydrophobicContact CG1-CZ 3.97Å; V90-F92 HydrophobicContact CG2-CE2 3.9Å; V90-F92 HydrophobicContact CG2-CZ 4.01Å; V90-F92 PolarHBondContact O-N 2.84Å; V90-A93 HydrophobicContact CB-CB 4.39Å; V90-A93 HydrophobicContact CG2-CB 3.9Å; V90-A93 WeakPolarHBondContact O-CB 3.43Å; V90-A93 PolarHBondContact O-N 2.89Å; V90-W115 HydrophobicContact CG2-CH2 4.14Å; V90-W115 HydrophobicContact CG2-CZ2 3.91Å; V90-I191 HydrophobicContact CB-CG2 4.32Å; V90-I191 HydrophobicContact CG1-CG2 3.96Å; V90-I191 HydrophobicContact CG2-CD1 4.26Å; V90-I191 HydrophobicContact CG2-CG2 3.58Å
91P59.4Low69.7Low119 Ų11965 Ų6577%0.77333%0.333SS*.THydrogen-bonded Turntrans-55.1-44.4-172.7-27.835.1000114.4A93P91-A93 VanDerWaalsContact C-N 3.28Å; P91-A93 PolarHBondContact O-N 2.92Å
92F63Low67.6Low55 Ų5570 Ų7024%0.24136%0.364CS..THydrogen-bonded Turntrans-77.7-10.3177.749.7-96.4000113.2V90 K94 D95 W96 N165 I191 D192V90-F92 VanDerWaalsContact C-N 3.35Å; V90-F92 HydrophobicContact CB-CE1 4.12Å; V90-F92 HydrophobicContact CB-CE2 4.05Å; V90-F92 HydrophobicContact CB-CZ 3.79Å; V90-F92 HydrophobicContact CG1-CE1 4.24Å; V90-F92 HydrophobicContact CG1-CZ 3.97Å; V90-F92 HydrophobicContact CG2-CE2 3.9Å; V90-F92 HydrophobicContact CG2-CZ 4.01Å; V90-F92 PolarHBondContact O-N 2.84Å; F92-K94 PolarHBondContact O-N 2.89Å; F92-D95 PolarHBondContact O-N 2.81Å; F92-W96 VanDerWaalsContact O-CB 3.31Å; F92-W96 WeakPolarHBondContact O-CB 3.3Å; F92-W96 PolarHBondContact O-N 2.87Å; F92-N165 HydrophobicContact CD2-CB 3.93Å; F92-N165 HydrophobicContact CE2-CB 3.76Å; F92-I191 HydrophobicContact CE2-CG2 3.91Å; F92-I191 HydrophobicContact CZ-CG2 3.63Å; F92-D192 VanDerWaalsContact CE1-O 3.25Å; F92-D192 WeakPolarHBondContact CE1-O 3.22Å; F92-D192 WeakPolarHBondContact CZ-O 3.46Å
93A59.2Low65.6Low0 Ų074.7 Ų74.70%039%0.389CS..Hα-helixtrans-62.9-25.4178.600000112.3V90 P91 R97 W115V90-A93 HydrophobicContact CB-CB 4.39Å; V90-A93 HydrophobicContact CG2-CB 3.9Å; V90-A93 WeakPolarHBondContact O-CB 3.43Å; V90-A93 PolarHBondContact O-N 2.89Å; P91-A93 VanDerWaalsContact C-N 3.28Å; P91-A93 PolarHBondContact O-N 2.92Å; A93-R97 VanDerWaalsContact O-CB 3.26Å; A93-R97 WeakPolarHBondContact O-CB 3.39Å; A93-R97 WeakPolarHBondContact O-CG 3.37Å; A93-R97 PolarHBondContact O-N 2.63Å; A93-R97 PolarHBondContact O-NE 2.82Å; A93-W115 HydrophobicContact CB-CZ2 3.79Å
94K60.9Low63.6Low129 Ų12978.4 Ų78.456%0.56140%0.403SS*.Hα-helixtrans-70.6-54176.6-165.3-179176.9-172.90110.7F92 W96 R97 D98F92-K94 PolarHBondContact O-N 2.89Å; K94-W96 VanDerWaalsContact C-N 3.28Å; K94-W96 PolarHBondContact O-N 2.99Å; K94-R97 WeakPolarHBondContact O-CB 3.35Å; K94-R97 PolarHBondContact O-N 2.84Å; K94-D98 VanDerWaalsContact O-CG 3.25Å; K94-D98 PolarHBondContact O-N 2.85Å
95D60.8Low61.6Low119 Ų11981.5 Ų81.564%0.63642%0.42SS*.Hα-helixtrans-63.2-36.3179.5-58.9-23000111.8F92 D98 S99F92-D95 PolarHBondContact O-N 2.81Å; D95-D98 PolarHBondContact O-N 3.35Å; D95-S99 PolarHBondContact O-N 3.18Å
96W60.1Low59.7Low14 Ų1483 Ų835%0.05343%0.428CS..Hα-helixtrans-71-38.5176.4-177.587.2000113.2F92 K94 D98 S99 R100 W115 L162F92-W96 VanDerWaalsContact O-CB 3.31Å; F92-W96 WeakPolarHBondContact O-CB 3.3Å; F92-W96 PolarHBondContact O-N 2.87Å; K94-W96 VanDerWaalsContact C-N 3.28Å; K94-W96 PolarHBondContact O-N 2.99Å; W96-D98 VanDerWaalsContact C-N 3.27Å; W96-D98 PolarHBondContact O-N 2.84Å; W96-S99 PolarHBondContact O-N 3.18Å; W96-S99 PolarHBondContact O-OG 2.98Å; W96-R100 HydrophobicContact CZ2-CG 4.4Å; W96-R100 PolarHBondContact O-N 2.82Å; W96-W115 HydrophobicContact CE3-CD2 4.05Å; W96-W115 AromaticContact CE3-CE3 3.74Å; W96-W115 HydrophobicContact CE3-CE3 3.74Å; W96-W115 HydrophobicContact CE3-CG 4.5Å; W96-W115 HydrophobicContact CE3-CZ3 4.18Å; W96-W115 HydrophobicContact CH2-CB 4.28Å; W96-W115 HydrophobicContact CH2-CD2 4.29Å; W96-W115 AromaticContact CH2-CE3 3.57Å; W96-W115 HydrophobicContact CH2-CE3 3.57Å; W96-W115 HydrophobicContact CH2-CZ3 4.31Å; W96-W115 HydrophobicContact CZ2-CE3 4.46Å; W96-W115 HydrophobicContact CZ3-CB 3.71Å; W96-W115 AromaticContact CZ3-CD2 3.52Å; W96-W115 HydrophobicContact CZ3-CD2 3.52Å; W96-W115 AromaticContact CZ3-CE3 3.17Å; W96-W115 HydrophobicContact CZ3-CE3 3.17Å; W96-W115 AromaticContact CZ3-CG 3.76Å; W96-W115 HydrophobicContact CZ3-CG 3.76Å; W96-W115 AromaticContact CZ3-CZ3 3.98Å; W96-W115 HydrophobicContact CZ3-CZ3 3.98Å; W96-L162 VanDerWaalsContact CE2-O 3.25Å; W96-L162 HydrophobicContact CZ2-CB 4.36Å; W96-L162 PolarHBondContact NE1-O 3.08Å
97R62.6Low58.2Low70 Ų7089 Ų8926%0.26446%0.458SS..Hα-helixtrans-56.4-48.4169.4-83.3176.9-73.1164.6-10.1109.5A93 K94 S99 R100 I101A93-R97 VanDerWaalsContact O-CB 3.26Å; A93-R97 WeakPolarHBondContact O-CB 3.39Å; A93-R97 WeakPolarHBondContact O-CG 3.37Å; A93-R97 PolarHBondContact O-N 2.63Å; A93-R97 PolarHBondContact O-NE 2.82Å; K94-R97 WeakPolarHBondContact O-CB 3.35Å; K94-R97 PolarHBondContact O-N 2.84Å; R97-S99 VanDerWaalsContact C-N 3.26Å; R97-S99 PolarHBondContact O-N 3.36Å; R97-R100 PolarHBondContact O-N 3.47Å; R97-I101 HydrophobicContact CB-CD1 4.38Å; R97-I101 WeakPolarHBondContact O-CB 3.36Å; R97-I101 VanDerWaalsContact O-CD1 3.23Å; R97-I101 WeakPolarHBondContact O-CD1 3.41Å; R97-I101 WeakPolarHBondContact O-CG1 3.39Å; R97-I101 PolarHBondContact O-N 3.48Å
98D62.7Low56.9Low77 Ų7792 Ų9241%0.41247%0.471SS..Hα-helixtrans-63.1-28.8-177.6-64.5-14.9000112.9K94 D95 W96 I101 T102K94-D98 VanDerWaalsContact O-CG 3.25Å; K94-D98 PolarHBondContact O-N 2.85Å; D95-D98 PolarHBondContact O-N 3.35Å; W96-D98 VanDerWaalsContact C-N 3.27Å; W96-D98 PolarHBondContact O-N 2.84Å; D98-I101 WeakPolarHBondContact O-CB 3.35Å; D98-I101 PolarHBondContact O-N 3.33Å; D98-T102 PolarHBondContact O-N 2.98Å; D98-T102 PolarHBondContact O-OG1 2.85Å
99S61.9Low55.5Low61 Ų6197 Ų9743%0.42751%0.505SS..Hα-helixtrans-76.2-40.7177.975.20000113.5D95 W96 R97 I101 T102D95-S99 PolarHBondContact O-N 3.18Å; W96-S99 PolarHBondContact O-N 3.18Å; W96-S99 PolarHBondContact O-OG 2.98Å; R97-S99 VanDerWaalsContact C-N 3.26Å; R97-S99 PolarHBondContact O-N 3.36Å; S99-I101 PolarHBondContact O-N 3.32Å; S99-T102 PolarHBondContact O-N 3.19Å
100R63.1Low54.9Low52 Ų5294.3 Ų94.320%0.19649%0.492CS..Hα-helixtrans-67.7-27.9170.7-78.4-158.9177.4-179.410.9111.7E47 W96 R97 D160E47-R100 IonicContact OE1-CZ 2.84Å; E47-R100 IonicContact OE1-NH2 2.84Å; E47-R100 PolarHBondContact OE1-NH2 2.85Å; W96-R100 HydrophobicContact CZ2-CG 4.4Å; W96-R100 PolarHBondContact O-N 2.82Å; R97-R100 PolarHBondContact O-N 3.47Å; R100-D160 IonicContact CZ-OD1 2.73Å; R100-D160 IonicContact CZ-OD2 3.63Å; R100-D160 IonicContact NH1-OD1 3.53Å; R100-D160 IonicContact NH1-OD2 2.63Å; R100-D160 PolarHBondContact NH1-OD2 3.27Å; R100-D160 VanDerWaalsContact NH2-CG 3.33Å; R100-D160 IonicContact NH2-OD1 3.74Å; R100-D160 PolarHBondContact NH2-OD1 2.82Å; R100-D160 IonicContact NH2-OD2 3.57Å; R100-D160 PolarHBondContact NH2-OD2 2.82Å; R100-D160 VanDerWaalsContact NH2-OD2 3.08Å
101I55.3Low54.7Low56 Ų56100.9 Ų100.929%0.28752%0.519SS..Hα-helixtrans-64-39.4174-72.3163.2000111.8R97 D98 S99 N103 Q104R97-I101 HydrophobicContact CB-CD1 4.38Å; R97-I101 WeakPolarHBondContact O-CB 3.36Å; R97-I101 VanDerWaalsContact O-CD1 3.23Å; R97-I101 WeakPolarHBondContact O-CD1 3.41Å; R97-I101 WeakPolarHBondContact O-CG1 3.39Å; R97-I101 PolarHBondContact O-N 3.48Å; D98-I101 WeakPolarHBondContact O-CB 3.35Å; D98-I101 PolarHBondContact O-N 3.33Å; S99-I101 PolarHBondContact O-N 3.32Å; I101-N103 VanDerWaalsContact C-N 3.25Å; I101-N103 PolarHBondContact O-N 2.85Å; I101-Q104 PolarHBondContact O-N 2.86Å
102T51.1Low55.6Low108 Ų10898.7 Ų98.766%0.66351%0.505SS*.Hα-helixtrans-68.3-22.5-174.1-54.90000113.4D98 S99D98-T102 PolarHBondContact O-N 2.98Å; D98-T102 PolarHBondContact O-OG1 2.85Å; S99-T102 PolarHBondContact O-N 3.19Å
103N51.2Low56.5Low147 Ų14797.3 Ų97.379%0.78650%0.498SS*.THydrogen-bonded Turntrans-84.3-7.4-179.9-73.7-20.7000114.2I101I101-N103 VanDerWaalsContact C-N 3.25Å; I101-N103 PolarHBondContact O-N 2.85Å
104Q47Very low58Low106 Ų10697.5 Ų97.550%0.49550%0.499SS..SBendtrans-110.2104.6172.9-74.4-177.3-11.700108.9I101 D106I101-Q104 PolarHBondContact O-N 2.86Å; Q104-D106 PolarHBondContact O-N 2.64Å
105E41.2Very low59.4Low189 Ų18991.4 Ų91.488%0.88347%0.473SS*.  trans-65.320.2-178.1-71.4-170.5142.400115.5
106D42.3Very low60.9Low131 Ų13185.8 Ų85.870%0.70144%0.442SS*.  trans-105.6121.6-171.3-78.7-39.6000115.2Q104 L108Q104-D106 PolarHBondContact O-N 2.64Å; D106-L108 VanDerWaalsContact C-N 3.3Å; D106-L108 PolarHBondContact O-N 3.4Å
107I43.1Very low62.6Low167 Ų16785.1 Ų85.186%0.85644%0.44SS*.  trans-76.352.6-166.8-56.1157.9000113
108L44.9Very low64.2Low135 Ų13582.2 Ų82.271%0.70743%0.43SS*.SBendtrans-118.1127.9173.9-72.8170.9000111.7D106 H110D106-L108 VanDerWaalsContact C-N 3.3Å; D106-L108 PolarHBondContact O-N 3.4Å; L108-H110 PolarHBondContact O-CD2 3.13Å; L108-H110 PolarHBondContact O-N 2.77Å; L108-H110 PolarHBondContact O-NE2 3.48Å
109P43.3Very low65.8Low124 Ų12478.6 Ų78.681%0.80541%0.411SS*.  trans-59112.417921.7-29.4000109.9
110H53.9Low67.5Low105 Ų10577.9 Ų77.949%0.48641%0.405SS..PPolyproline II helixtrans-67.3128.6-161-59-86.6000112L108L108-H110 PolarHBondContact O-CD2 3.13Å; L108-H110 PolarHBondContact O-N 2.77Å; L108-H110 PolarHBondContact O-NE2 3.48Å
111K62.2Low69.1Low155 Ų15575.8 Ų75.867%0.67440%0.397SS*.PPolyproline II helixtrans-73.1133.9174.4-71.3177.3-178.7169.70109.1
112P77.2Confident71.2Confident72 Ų7274.3 Ų74.347%0.46839%0.391SS..PPolyproline II helixtrans-55.8142.8169.513.4-16.8000109.7P83 K84 I86P83-P112 CarbonylContact C-O 3.58Å; P83-P112 VanDerWaalsContact O-O 3.11Å; K84-P112 CarbonylContact C-O 3.56Å; K84-P112 WeakPolarHBondContact CA-O 3.44Å; K84-P112 PolarHBondContact N-O 2.86Å; K84-P112 CarbonylContact O-C 3.6Å; K84-P112 WeakPolarHBondContact O-CB 3.47Å; K84-P112 VanDerWaalsContact O-CG 3.26Å; K84-P112 WeakPolarHBondContact O-CG 3.42Å; I86-P112 HydrophobicContact CD1-CB 3.93Å; I86-P112 HydrophobicContact CG1-CB 3.92Å
113Y83.7Confident73.4Confident27 Ų2769.6 Ų69.611%0.10636%0.363CS..  trans-146.3161.2173.974.5-78.5000109.5P43 A44 N85 W115 F117P43-Y113 HydrophobicContact CB-CD1 4.25Å; P43-Y113 HydrophobicContact CB-CE1 4.32Å; P43-Y113 HydrophobicContact CG-CD1 3.72Å; P43-Y113 HydrophobicContact CG-CE1 4.28Å; P43-Y113 HydrophobicContact CG-CG 3.99Å; A44-Y113 HydrophobicContact CB-CE2 4.46Å; N85-Y113 CarbonylContact O-C 3.29Å; Y113-W115 VanDerWaalsContact C-N 3.34Å; Y113-W115 HydrophobicContact CD2-CB 4.39Å; Y113-W115 HydrophobicContact CE1-CB 4.49Å; Y113-W115 VanDerWaalsContact CE2-CA 3.46Å; Y113-W115 HydrophobicContact CE2-CB 3.79Å; Y113-W115 PolarHBondContact O-N 2.82Å; Y113-F117 HydrophobicContact CE2-CE1 4.3Å
114D90Very high75.6Confident3 Ų364.8 Ų64.82%0.01634%0.339CS..  trans-76.688.6174.6-168.9-13.9000110.6V81 D82 N85 T87 T116 F117 T118V81-D114 HydrophobicContact CG1-CB 3.99Å; V81-D114 WeakPolarHBondContact CG1-O 3.31Å; D82-D114 HydrophobicContact CB-CB 4.11Å; D82-D114 PolarHBondContact O-N 2.83Å; N85-D114 PolarHBondContact O-N 2.86Å; T87-D114 PolarHBondContact OG1-OD1 2.92Å; T87-D114 PolarHBondContact OG1-OD2 2.82Å; D114-T116 PolarHBondContact O-N 2.85Å; D114-T116 WeakPolarHBondContact OD1-CB 3.23Å; D114-T116 PolarHBondContact OD1-N 2.82Å; D114-T116 PolarHBondContact OD1-OG1 2.87Å; D114-F117 PolarHBondContact O-N 2.87Å; D114-F117 VanDerWaalsContact O-N 3.16Å; D114-T118 WeakPolarHBondContact OD2-CB 3.33Å
115W89.5Confident78.1Confident2 Ų262.3 Ų62.31%0.00833%0.329CS..THydrogen-bonded Turntrans-67.8-9.9179.764.4-89.9000114.7V90 A93 W96 Y113 F117 L162 I191V90-W115 HydrophobicContact CG2-CH2 4.14Å; V90-W115 HydrophobicContact CG2-CZ2 3.91Å; A93-W115 HydrophobicContact CB-CZ2 3.79Å; W96-W115 HydrophobicContact CE3-CD2 4.05Å; W96-W115 AromaticContact CE3-CE3 3.74Å; W96-W115 HydrophobicContact CE3-CE3 3.74Å; W96-W115 HydrophobicContact CE3-CG 4.5Å; W96-W115 HydrophobicContact CE3-CZ3 4.18Å; W96-W115 HydrophobicContact CH2-CB 4.28Å; W96-W115 HydrophobicContact CH2-CD2 4.29Å; W96-W115 AromaticContact CH2-CE3 3.57Å; W96-W115 HydrophobicContact CH2-CE3 3.57Å; W96-W115 HydrophobicContact CH2-CZ3 4.31Å; W96-W115 HydrophobicContact CZ2-CE3 4.46Å; W96-W115 HydrophobicContact CZ3-CB 3.71Å; W96-W115 AromaticContact CZ3-CD2 3.52Å; W96-W115 HydrophobicContact CZ3-CD2 3.52Å; W96-W115 AromaticContact CZ3-CE3 3.17Å; W96-W115 HydrophobicContact CZ3-CE3 3.17Å; W96-W115 AromaticContact CZ3-CG 3.76Å; W96-W115 HydrophobicContact CZ3-CG 3.76Å; W96-W115 AromaticContact CZ3-CZ3 3.98Å; W96-W115 HydrophobicContact CZ3-CZ3 3.98Å; Y113-W115 VanDerWaalsContact C-N 3.34Å; Y113-W115 HydrophobicContact CD2-CB 4.39Å; Y113-W115 HydrophobicContact CE1-CB 4.49Å; Y113-W115 VanDerWaalsContact CE2-CA 3.46Å; Y113-W115 HydrophobicContact CE2-CB 3.79Å; Y113-W115 PolarHBondContact O-N 2.82Å; W115-F117 WeakPolarHBondContact O-CD2 3.37Å; W115-F117 WeakPolarHBondContact O-CE2 3.28Å; W115-F117 PolarHBondContact O-N 3.2Å; W115-L162 HydrophobicContact CE3-CD2 4.13Å; W115-L162 HydrophobicContact CZ3-CB 4.08Å; W115-L162 HydrophobicContact CZ3-CD1 3.96Å; W115-L162 HydrophobicContact CZ3-CD2 4.19Å; W115-L162 HydrophobicContact CZ3-CG 4.3Å; W115-I191 HydrophobicContact CH2-CD1 3.91Å; W115-I191 HydrophobicContact CH2-CG1 4.39Å; W115-I191 HydrophobicContact CZ2-CD1 4.27Å
116T92.5Very high80.7Confident0 Ų055.7 Ų55.70%030%0.304CS..THydrogen-bonded Turntrans-82.7-3.7175.473.90000112.1I88 D114 T118 S168 L189 I191I88-T116 HydrophobicContact CD1-CG2 4.29Å; D114-T116 PolarHBondContact O-N 2.85Å; D114-T116 WeakPolarHBondContact OD1-CB 3.23Å; D114-T116 PolarHBondContact OD1-N 2.82Å; D114-T116 PolarHBondContact OD1-OG1 2.87Å; T116-T118 PolarHBondContact O-N 2.78Å; T116-T118 VanDerWaalsContact O-N 3.15Å; T116-T118 PolarHBondContact OG1-OG1 2.8Å; T116-S168 VanDerWaalsContact O-CB 3.22Å; T116-S168 WeakPolarHBondContact O-CB 3.32Å; T116-L189 HydrophobicContact CG2-CD1 4.34Å; T116-L189 HydrophobicContact CG2-CD2 4.08Å; T116-I191 HydrophobicContact CG2-CD1 3.92Å
117F95.1Very high83.2Confident0 Ų051.9 Ų51.90%030%0.295CS..  trans52.235-176.2-51.7-67.2000112.6L42 A44 I45 P46 L78 V81 Y113 D114 W115 T119 Y158 D160 L162 F187L42-F117 HydrophobicContact CD1-CD1 4.43Å; A44-F117 WeakPolarHBondContact O-CE1 3.47Å; I45-F117 VanDerWaalsContact C-CZ 3.46Å; P46-F117 HydrophobicContact CB-CD2 4.36Å; P46-F117 HydrophobicContact CB-CE2 4.43Å; P46-F117 HydrophobicContact CG-CB 4.21Å; P46-F117 HydrophobicContact CG-CD1 3.96Å; P46-F117 HydrophobicContact CG-CD2 3.85Å; P46-F117 HydrophobicContact CG-CE1 4.29Å; P46-F117 HydrophobicContact CG-CE2 4.18Å; P46-F117 HydrophobicContact CG-CG 3.73Å; P46-F117 HydrophobicContact CG-CZ 4.38Å; L78-F117 HydrophobicContact CD2-CB 4.43Å; V81-F117 HydrophobicContact CG2-CB 4.49Å; Y113-F117 HydrophobicContact CE2-CE1 4.3Å; D114-F117 PolarHBondContact O-N 2.87Å; D114-F117 VanDerWaalsContact O-N 3.16Å; W115-F117 WeakPolarHBondContact O-CD2 3.37Å; W115-F117 WeakPolarHBondContact O-CE2 3.28Å; W115-F117 PolarHBondContact O-N 3.2Å; F117-T119 PolarHBondContact O-N 3.38Å; F117-Y158 HydrophobicContact CB-CE2 3.92Å; F117-Y158 PolarHBondContact O-OH 2.73Å; F117-D160 HydrophobicContact CD2-CB 3.99Å; F117-D160 HydrophobicContact CE2-CB 4.02Å; F117-D160 WeakPolarHBondContact CE2-OD2 3.37Å; F117-L162 HydrophobicContact CD2-CD2 4.48Å; F117-F187 WeakPolarHBondContact O-CE2 3.41Å
118T96.4Very high85.7Confident9 Ų945.9 Ų45.96%0.05527%0.267CS..  trans-67.5125.9176-650000109.8D114 T116 F187 R197 Y199D114-T118 WeakPolarHBondContact OD2-CB 3.33Å; T116-T118 PolarHBondContact O-N 2.78Å; T116-T118 VanDerWaalsContact O-N 3.15Å; T116-T118 PolarHBondContact OG1-OG1 2.8Å; T118-F187 HydrophobicContact CG2-CD1 4.22Å; T118-F187 HydrophobicContact CG2-CE1 3.8Å; T118-F187 HydrophobicContact CG2-CZ 4.41Å; T118-F187 VanDerWaalsContact OG1-CE1 3.31Å; T118-F187 WeakPolarHBondContact OG1-CE1 3.43Å; T118-F187 WeakPolarHBondContact OG1-CZ 3.3Å; T118-R197 PolarHBondContact OG1-NH1 2.94Å; T118-Y199 HydrophobicContact CG2-CD2 3.91Å; T118-Y199 HydrophobicContact CG2-CE2 3.38Å
119T97.4Very high88.1Confident1 Ų140.9 Ų40.91%0.00624%0.239CC..  trans-121.1133.4-180-174.20000111.9A77 F117 Y121 Y158 L170 F187A77-T119 HydrophobicContact CB-CG2 4.35Å; A77-T119 WeakPolarHBondContact O-CB 3.5Å; A77-T119 PolarHBondContact O-OG1 2.82Å; F117-T119 PolarHBondContact O-N 3.38Å; T119-Y121 PolarHBondContact O-N 2.85Å; T119-Y121 VanDerWaalsContact OG1-CB 3.24Å; T119-Y121 WeakPolarHBondContact OG1-CB 3.26Å; T119-Y121 PolarHBondContact OG1-N 2.79Å; T119-Y158 WeakPolarHBondContact CG2-OH 3.44Å; T119-L170 HydrophobicContact CG2-CD1 4.16Å; T119-L170 HydrophobicContact CG2-CD2 4.09Å; T119-F187 HydrophobicContact CG2-CD2 4.36Å
120P96.1Very high90.7Very high47 Ų4737.2 Ų37.231%0.30522%0.216SC..  trans-80.17.1169.333.7-34.8000113.1L80 T122 R218L80-P120 HydrophobicContact CB-CG 4.03Å; L80-P120 VanDerWaalsContact O-CD 3.32Å; L80-P120 WeakPolarHBondContact O-CD 3.47Å; P120-T122 WeakPolarHBondContact O-CG2 3.46Å; P120-R218 VanDerWaalsContact CB-NH2 3.25Å; P120-R218 PolarHBondContact O-NH2 3.23Å; P120-R218 VanDerWaalsContact O-NH2 3.13Å
121Y98.4Very high92.8Very high8 Ų835.7 Ų35.73%0.03121%0.211CC..  trans-51.7133.9-173.1-174.2-116.1000114.2E71 F72 D76 A77 L80 T119 T124 Q185 T201E71-Y121 PolarHBondContact O-OH 2.86Å; F72-Y121 HydrophobicContact CD1-CE1 4.05Å; D76-Y121 HydrophobicContact CB-CD2 4.48Å; D76-Y121 HydrophobicContact CB-CE2 3.62Å; A77-Y121 HydrophobicContact CB-CD1 3.61Å; A77-Y121 HydrophobicContact CB-CD2 4.28Å; A77-Y121 HydrophobicContact CB-CE1 4.13Å; A77-Y121 HydrophobicContact CB-CG 3.7Å; L80-Y121 HydrophobicContact CD1-CD2 3.8Å; L80-Y121 HydrophobicContact CD1-CG 4.44Å; T119-Y121 PolarHBondContact O-N 2.85Å; T119-Y121 VanDerWaalsContact OG1-CB 3.24Å; T119-Y121 WeakPolarHBondContact OG1-CB 3.26Å; T119-Y121 PolarHBondContact OG1-N 2.79Å; Y121-T124 WeakPolarHBondContact CE2-OG1 3.46Å; Y121-T124 PolarHBondContact OH-N 3.11Å; Y121-T124 VanDerWaalsContact OH-N 3.11Å; Y121-T124 PolarHBondContact OH-OG1 3.09Å; Y121-T124 VanDerWaalsContact OH-OG1 3.07Å; Y121-Q185 VanDerWaalsContact CD1-OE1 3.23Å; Y121-Q185 PolarHBondContact O-NE2 3.04Å; Y121-T201 PolarHBondContact O-OG1 3.28Å
122T98Very high94.5Very high25 Ų2530.7 Ų30.715%0.15320%0.195CC..  trans-127.823.5-177.763.60000112.6P120 R214 I216P120-T122 WeakPolarHBondContact O-CG2 3.46Å; T122-R214 PolarHBondContact O-NH1 2.61Å; T122-R214 PolarHBondContact OG1-NH1 2.88Å; T122-I216 HydrophobicContact CG2-CG1 3.89Å; T122-I216 HydrophobicContact CG2-CG2 4.35Å
123G98Very high95.4Very high8 Ų832.7 Ų32.78%0.08221%0.208CC..  trans84.8138.8-171.800000113.9E71E71-G123 CarbonylContact O-C 3.54Å; E71-G123 WeakPolarHBondContact O-CA 3.34Å
124T98.4Very high96.1Very high47 Ų4733.1 Ų33.129%0.28821%0.214SC..EExtended strand (participates in β ladder)trans-80.9123.3175.6-63.90000109.9I70 E71 D76 Y121I70-T124 CarbonylContact C-O 3.56Å; I70-T124 WeakPolarHBondContact CA-O 3.26Å; E71-T124 PolarHBondContact N-O 3.16Å; E71-T124 PolarHBondContact O-N 3.18Å; D76-T124 WeakPolarHBondContact CB-OG1 3.29Å; D76-T124 WeakPolarHBondContact OD2-CB 3.26Å; D76-T124 PolarHBondContact OD2-OG1 3.25Å; Y121-T124 WeakPolarHBondContact CE2-OG1 3.46Å; Y121-T124 PolarHBondContact OH-N 3.11Å; Y121-T124 VanDerWaalsContact OH-N 3.11Å; Y121-T124 PolarHBondContact OH-OG1 3.09Å; Y121-T124 VanDerWaalsContact OH-OG1 3.07Å
125L97.9Very high96.3Very high53 Ų5339 Ų3928%0.27726%0.256SS..EExtended strand (participates in β ladder)trans-92.9136.8176.9-64.9176.8000110.9I70 W129 I131 L251I70-L125 HydrophobicContact CB-CD2 3.72Å; I70-L125 HydrophobicContact CD1-CD2 3.8Å; I70-L125 HydrophobicContact CG1-CD2 3.81Å; L125-W129 HydrophobicContact CD2-CD2 4.34Å; L125-W129 HydrophobicContact CD2-CG 4.33Å; L125-I131 HydrophobicContact CD1-CD1 3.41Å; L125-I131 VanDerWaalsContact CD1-CD1 3.41Å; L125-I131 HydrophobicContact CD1-CG1 4.36Å; L125-L251 HydrophobicContact CD1-CD2 4.39Å; L125-L251 HydrophobicContact CD2-CD2 4Å
126S96.8Very high96.5Very high51 Ų5141.5 Ų41.536%0.35727%0.267SS..EExtended strand (participates in β ladder)trans-13514617152.50000110C68 K69 W129C68-S126 CarbonylContact C-O 3.55Å; C68-S126 WeakPolarHBondContact CA-O 3.32Å; K69-S126 WeakPolarHBondContact CB-OG 3.35Å; K69-S126 PolarHBondContact N-O 2.76Å; K69-S126 PolarHBondContact O-N 3.42Å; K69-S126 PolarHBondContact O-OG 2.82Å; S126-W129 PolarHBondContact O-NE1 2.83Å
127G94.9Very high96.5Very high50 Ų5043.2 Ų43.252%0.51528%0.284SS..SBendtrans83.1177.7-171.500000114.1I67 W129I67-G127 WeakPolarHBondContact O-CA 3.32Å; G127-W129 PolarHBondContact O-N 2.7Å
128P94.8Very high96.5Very high42 Ų4244.4 Ų44.427%0.27329%0.291SS..  trans-79.996.5-173.734.1-39.2000112.4I67 C68 Q254 V256I67-P128 HydrophobicContact CG2-CG 3.79Å; C68-P128 PolarHBondContact SG-O 3.07Å; P128-Q254 HydrophobicContact CB-CB 4.12Å; P128-Q254 HydrophobicContact CG-CB 4.31Å; P128-Q254 VanDerWaalsContact CG-O 3.31Å; P128-Q254 WeakPolarHBondContact CG-O 3.4Å; P128-Q254 WeakPolarHBondContact O-CB 3.08Å; P128-Q254 PolarHBondContact O-N 3.33Å; P128-V256 HydrophobicContact CG-CG2 3.78Å
129W96Very high96.4Very high29 Ų2946.1 Ų46.111%0.1130%0.3CS..EExtended strand (participates in β ladder)trans-100.4133.5171.5-66.293.5000111W16 C68 K69 L125 S126 G127 I131 L212 L251 P253W16-W129 AromaticContact CH2-CH2 3.78Å; W16-W129 HydrophobicContact CH2-CH2 3.78Å; W16-W129 HydrophobicContact CH2-CZ3 4.13Å; W16-W129 AromaticContact CZ3-CH2 3.85Å; W16-W129 HydrophobicContact CZ3-CH2 3.85Å; C68-W129 HydrophobicContact CB-CD2 4.06Å; C68-W129 VanDerWaalsContact CB-CE2 3.46Å; C68-W129 HydrophobicContact CB-CH2 4.07Å; C68-W129 HydrophobicContact CB-CZ2 3.48Å; C68-W129 VanDerWaalsContact CB-CZ2 3.48Å; K69-W129 PolarHBondContact O-NE1 3.11Å; L125-W129 HydrophobicContact CD2-CD2 4.34Å; L125-W129 HydrophobicContact CD2-CG 4.33Å; S126-W129 PolarHBondContact O-NE1 2.83Å; G127-W129 PolarHBondContact O-N 2.7Å; W129-I131 HydrophobicContact CB-CG1 4.19Å; W129-L212 HydrophobicContact CH2-CD1 3.93Å; W129-L212 HydrophobicContact CZ3-CD1 4.15Å; W129-L251 HydrophobicContact CE3-CB 3.84Å; W129-L251 HydrophobicContact CZ3-CB 4Å; W129-P253 HydrophobicContact CE3-CB 4.12Å; W129-P253 HydrophobicContact CH2-CB 4.26Å; W129-P253 HydrophobicContact CZ3-CB 3.82Å; W129-P253 HydrophobicContact CZ3-CG 4.21Å
130S97.2Very high96.3Very high47 Ų4750.7 Ų50.733%0.32932%0.322SS..EExtended strand (participates in β ladder)trans-93.5111.8161.9172.90000108.9V252S130-V252 PolarHBondContact N-O 2.7Å; S130-V252 PolarHBondContact O-N 2.78Å
131I97.5Very high96.1Very high74 Ų7456 Ų5638%0.37934%0.343SS..EExtended strand (participates in β ladder)trans-104.1127.4-179.4-48.3175.3000108.3L125 W129 E249 K250 L251L125-I131 HydrophobicContact CD1-CD1 3.41Å; L125-I131 VanDerWaalsContact CD1-CD1 3.41Å; L125-I131 HydrophobicContact CD1-CG1 4.36Å; W129-I131 HydrophobicContact CB-CG1 4.19Å; I131-E249 HydrophobicContact CG2-CB 4.17Å; I131-E249 HydrophobicContact CG2-CG 4.44Å; I131-K250 WeakPolarHBondContact CA-O 3.44Å; I131-L251 HydrophobicContact CG1-CG 4.42Å; I131-L251 HydrophobicContact CG2-CD1 4.32Å
132S97.8Very high95.8Very high49 Ų4956.1 Ų56.134%0.34334%0.343SS..EExtended strand (participates in β ladder)trans-137.1136.917754.40000110.7E249 K250S132-E249 CarbonylContact O-C 3.53Å; S132-E249 VanDerWaalsContact O-CA 3.3Å; S132-E249 WeakPolarHBondContact O-CA 3.34Å; S132-K250 PolarHBondContact N-O 2.71Å; S132-K250 PolarHBondContact O-N 3.05Å
133P97.8Very high95.5Very high114 Ų11455.9 Ų55.974%0.7434%0.341SS*.EExtended strand (participates in β ladder)trans-57.6145.9170.4-22.132.8000110.7
134T97.2Very high95.3Very high37 Ų3764.5 Ų64.523%0.22737%0.371CS..  trans-143.1150.6176.3-1660000111.5E136 I213 T248 K250T134-E136 VanDerWaalsContact C-N 3.33Å; T134-E136 HydrophobicContact CG2-CB 4.1Å; T134-E136 WeakPolarHBondContact CG2-O 3.34Å; T134-E136 WeakPolarHBondContact OG1-CB 2.98Å; T134-E136 PolarHBondContact OG1-N 3.25Å; T134-E136 VanDerWaalsContact OG1-N 3.14Å; T134-I213 HydrophobicContact CG2-CD1 4.08Å; T134-T248 HydrophobicContact CG2-CG2 3.86Å; T134-T248 PolarHBondContact N-O 3.44Å; T134-K250 HydrophobicContact CG2-CG 3.9Å
135S95.1Very high95Very high127 Ų12768.8 Ų68.889%0.88838%0.382SS*.SBendtrans-88.4-5.2166.260.30000112.3G137S135-G137 PolarHBondContact O-N 3.33Å; S135-G137 VanDerWaalsContact O-N 3.14Å
136E92.6Very high94.7Very high54 Ų5476.1 Ų76.125%0.25241%0.412SS..  trans-70104.9172.3-175.3175.1156.300108.6T134 R206 Y211 I213 T248 K250T134-E136 VanDerWaalsContact C-N 3.33Å; T134-E136 HydrophobicContact CG2-CB 4.1Å; T134-E136 WeakPolarHBondContact CG2-O 3.34Å; T134-E136 WeakPolarHBondContact OG1-CB 2.98Å; T134-E136 PolarHBondContact OG1-N 3.25Å; T134-E136 VanDerWaalsContact OG1-N 3.14Å; E136-R206 IonicContact OE1-NH2 3.95Å; E136-R206 PolarHBondContact OE1-NH2 2.75Å; E136-Y211 VanDerWaalsContact CD-OH 3.29Å; E136-Y211 PolarHBondContact OE1-OH 3.36Å; E136-Y211 PolarHBondContact OE2-OH 3.49Å; E136-I213 HydrophobicContact CB-CD1 4.18Å; E136-I213 HydrophobicContact CG-CD1 3.99Å; E136-T248 WeakPolarHBondContact O-CG2 3.35Å; E136-K250 WeakPolarHBondContact OE2-CE 3.42Å; E136-K250 IonicContact OE2-NZ 2.64Å; E136-K250 PolarHBondContact OE2-NZ 2.94Å
137G92.3Very high94.5Very high35 Ų3575.3 Ų75.336%0.36140%0.403SS..  trans-76.5-175.5173.300000112.5S135S135-G137 PolarHBondContact O-N 3.33Å; S135-G137 VanDerWaalsContact O-N 3.14Å
138L95.6Very high94.6Very high25 Ų2577.7 Ų77.713%0.13141%0.41CS..  trans-63.4137.7171.5-61.5171.9000111M140 L143 F182 R202 Q204 I213 D215L138-M140 HydrophobicContact CB-SD 4.2Å; L138-M140 PolarHBondContact O-N 3.4Å; L138-L143 HydrophobicContact CB-CD1 4.22Å; L138-L143 HydrophobicContact CD1-CD1 4.44Å; L138-F182 HydrophobicContact CD1-CE2 4.15Å; L138-F182 HydrophobicContact CD2-CE2 4.43Å; L138-R202 HydrophobicContact CD1-CB 3.87Å; L138-R202 HydrophobicContact CD1-CG 4.25Å; L138-R202 HydrophobicContact CD2-CB 4.46Å; L138-Q204 HydrophobicContact CD2-CB 3.63Å; L138-I213 HydrophobicContact CD2-CG2 3.88Å; L138-D215 HydrophobicContact CD1-CB 3.89Å; L138-D215 HydrophobicContact CD2-CB 4.05Å; L138-D215 HydrophobicContact CG-CB 3.78Å
139D95.5Very high94.6Very high46 Ų4680.1 Ų80.125%0.24642%0.419CS..  trans-72.596171.4-171.8-24.3000110E141 Y142 L143 Q204 R206D139-E141 VanDerWaalsContact C-N 3.32Å; D139-E141 PolarHBondContact OD1-N 3.06Å; D139-Y142 WeakPolarHBondContact O-CB 3.32Å; D139-Y142 PolarHBondContact O-N 3.19Å; D139-Y142 WeakPolarHBondContact OD1-CB 2.89Å; D139-Y142 PolarHBondContact OD1-N 2.83Å; D139-L143 WeakPolarHBondContact O-CG 3.47Å; D139-L143 PolarHBondContact O-N 2.68Å; D139-Q204 VanDerWaalsContact CB-OE1 3.25Å; D139-Q204 PolarHBondContact O-NE2 3.48Å; D139-R206 IonicContact OD2-CZ 3.96Å; D139-R206 IonicContact OD2-NH1 2.94Å; D139-R206 PolarHBondContact OD2-NH1 3.41Å
140M93.6Very high94.6Very high96 Ų9686.6 Ų86.647%0.47344%0.444SS..Hα-helixtrans-71.5-27.8-177.4-63.6-54.8-64.600112.6L138 L143 R144L138-M140 HydrophobicContact CB-SD 4.2Å; L138-M140 PolarHBondContact O-N 3.4Å; M140-L143 HydrophobicContact SD-CD1 4.12Å; M140-R144 WeakPolarHBondContact O-CB 3.24Å; M140-R144 WeakPolarHBondContact O-CD 3.18Å; M140-R144 WeakPolarHBondContact O-CG 3.17Å; M140-R144 PolarHBondContact O-N 2.82Å; M140-R144 VanDerWaalsContact O-N 3.15Å
141E92.9Very high94.5Very high158 Ų15886 Ų8674%0.73844%0.435SS*.Hα-helixtrans-67.1-47.2174.3-65.7-169.4165.200109.4D139 L143 R144 R145D139-E141 VanDerWaalsContact C-N 3.32Å; D139-E141 PolarHBondContact OD1-N 3.06Å; E141-L143 VanDerWaalsContact C-N 3.34Å; E141-L143 PolarHBondContact O-N 2.84Å; E141-R144 PolarHBondContact O-N 2.85Å; E141-R145 WeakPolarHBondContact O-CG 3.5Å; E141-R145 PolarHBondContact O-N 2.8Å
142Y92.1Very high94.4Very high12 Ų1288.1 Ų88.15%0.04744%0.442CS..Hα-helixtrans-54.4-48.1173.1179-98.4000111.9D139 R144 R145 M177 S179 G180 R206D139-Y142 WeakPolarHBondContact O-CB 3.32Å; D139-Y142 PolarHBondContact O-N 3.19Å; D139-Y142 WeakPolarHBondContact OD1-CB 2.89Å; D139-Y142 PolarHBondContact OD1-N 2.83Å; Y142-R144 VanDerWaalsContact C-N 3.26Å; Y142-R144 PolarHBondContact O-N 2.71Å; Y142-R145 WeakPolarHBondContact O-CB 3.47Å; Y142-R145 PolarHBondContact O-N 2.88Å; Y142-M177 HydrophobicContact CE1-CE 4.05Å; Y142-M177 WeakPolarHBondContact OH-CE 3.32Å; Y142-S179 WeakPolarHBondContact CE2-OG 3.31Å; Y142-S179 PolarHBondContact OH-O 3.41Å; Y142-S179 PolarHBondContact OH-OG 2.87Å; Y142-G180 WeakPolarHBondContact OH-CA 3.31Å; Y142-G180 PolarHBondContact OH-N 2.82Å; Y142-G180 VanDerWaalsContact OH-N 3.12Å; Y142-R206 HydrophobicContact CD1-CG 4.09Å; Y142-R206 HydrophobicContact CD2-CG 4.23Å; Y142-R206 HydrophobicContact CE1-CG 4.19Å; Y142-R206 HydrophobicContact CE2-CG 4.33Å; Y142-R206 HydrophobicContact CG-CG 4.14Å
143L91.8Very high94.3Very high20 Ų2086.1 Ų86.111%0.10543%0.428CS..Hα-helixtrans-68.1-20.9-178.7-67.2175.6000114.8L138 D139 M140 E141 R175 F182 Q204L138-L143 HydrophobicContact CB-CD1 4.22Å; L138-L143 HydrophobicContact CD1-CD1 4.44Å; D139-L143 WeakPolarHBondContact O-CG 3.47Å; D139-L143 PolarHBondContact O-N 2.68Å; M140-L143 HydrophobicContact SD-CD1 4.12Å; E141-L143 VanDerWaalsContact C-N 3.34Å; E141-L143 PolarHBondContact O-N 2.84Å; L143-R175 PolarHBondContact O-NH2 3.2Å; L143-F182 HydrophobicContact CD1-CD2 3.96Å; L143-F182 HydrophobicContact CD1-CE2 3.69Å; L143-F182 HydrophobicContact CD1-CZ 4.25Å; L143-F182 HydrophobicContact CD2-CB 3.72Å; L143-F182 HydrophobicContact CD2-CD1 4.26Å; L143-F182 HydrophobicContact CD2-CD2 3.36Å; L143-F182 HydrophobicContact CD2-CE2 3.98Å; L143-F182 HydrophobicContact CD2-CG 3.51Å; L143-F182 HydrophobicContact CG-CD2 4.32Å; L143-Q204 VanDerWaalsContact CG-NE2 3.28Å
144R93.4Very high94.2Very high188 Ų18884.3 Ų84.371%0.70941%0.412SS*.Hα-helixtrans-88.8-14.6176.8-73.1170.8-174.8170.93113M140 E141 Y142M140-R144 WeakPolarHBondContact O-CB 3.24Å; M140-R144 WeakPolarHBondContact O-CD 3.18Å; M140-R144 WeakPolarHBondContact O-CG 3.17Å; M140-R144 PolarHBondContact O-N 2.82Å; M140-R144 VanDerWaalsContact O-N 3.15Å; E141-R144 PolarHBondContact O-N 2.85Å; Y142-R144 VanDerWaalsContact C-N 3.26Å; Y142-R144 PolarHBondContact O-N 2.71Å
145R92.8Very high94.2Very high137 Ų13782.8 Ų82.852%0.51740%0.403SS..SBendtrans-60.5144.2175.8-72.4172.457.4167.3-4.5110.4E141 Y142 D147E141-R145 WeakPolarHBondContact O-CG 3.5Å; E141-R145 PolarHBondContact O-N 2.8Å; Y142-R145 WeakPolarHBondContact O-CB 3.47Å; Y142-R145 PolarHBondContact O-N 2.88Å; R145-D147 IonicContact CZ-OD1 2.9Å; R145-D147 IonicContact CZ-OD2 3.02Å; R145-D147 IonicContact NE-OD1 2.95Å; R145-D147 PolarHBondContact NE-OD1 2.93Å; R145-D147 IonicContact NE-OD2 3.12Å; R145-D147 IonicContact NH2-OD1 3.52Å; R145-D147 PolarHBondContact NH2-OD1 2.87Å; R145-D147 IonicContact NH2-OD2 3.51Å; R145-D147 PolarHBondContact NH2-OD2 2.82Å; R145-D147 VanDerWaalsContact NH2-OD2 3.12Å; R145-D147 PolarHBondContact O-N 2.91Å
146K91.6Very high94.3Very high208 Ų20878.1 Ų78.190%0.90437%0.369SS*.  trans-93.748.2177.3-62.3-174.9179.3-178.20110.9
147D92.8Very high94.5Very high33 Ų3375.6 Ų75.618%0.17636%0.357CS..  trans-67.7141174.4-69.8-4.6000108.9R145 I149 M177 S179R145-D147 IonicContact CZ-OD1 2.9Å; R145-D147 IonicContact CZ-OD2 3.02Å; R145-D147 IonicContact NE-OD1 2.95Å; R145-D147 PolarHBondContact NE-OD1 2.93Å; R145-D147 IonicContact NE-OD2 3.12Å; R145-D147 IonicContact NH2-OD1 3.52Å; R145-D147 PolarHBondContact NH2-OD1 2.87Å; R145-D147 IonicContact NH2-OD2 3.51Å; R145-D147 PolarHBondContact NH2-OD2 2.82Å; R145-D147 VanDerWaalsContact NH2-OD2 3.12Å; R145-D147 PolarHBondContact O-N 2.91Å; D147-I149 PolarHBondContact O-N 2.9Å; D147-M177 HydrophobicContact CB-CB 4.07Å; D147-M177 HydrophobicContact CB-CG 3.92Å; D147-M177 HydrophobicContact CB-SD 4Å; D147-S179 PolarHBondContact OD2-OG 2.98Å
148P95.4Very high94.8Very high101 Ų10173.9 Ų73.966%0.65634%0.34SS*.  trans-59.3125.8178.4-25.434.5000112.1R150P148-R150 PolarHBondContact O-N 2.8Å
149I95.4Very high94.9Very high92 Ų9274.9 Ų74.947%0.47234%0.343SS..  trans-76116176.2-59173.7000108.2D147 F151 F152 R175D147-I149 PolarHBondContact O-N 2.9Å; I149-F151 VanDerWaalsContact CG2-O 3.3Å; I149-F151 WeakPolarHBondContact CG2-O 3.43Å; I149-F152 HydrophobicContact CG2-CB 3.96Å; I149-R175 HydrophobicContact CG2-CB 4.24Å
150R95.3Very high94.9Very high166 Ų16672.7 Ų72.763%0.62633%0.332SS*.SBendtrans-88-26.4179.1-68.3-169.7171.5-177.44.6112.7P148 A176 S178P148-R150 PolarHBondContact O-N 2.8Å; R150-A176 PolarHBondContact N-O 3.38Å; R150-S178 PolarHBondContact NE-OG 2.56Å; R150-S178 PolarHBondContact NH2-OG 3.38Å
151F95.1Very high94.9Very high34 Ų3472.2 Ų72.215%0.14933%0.328CS..EExtended strand (participates in β ladder)trans-149.8133.1179.2-177.1-110.8000109.3H11 I18 I149 V153 F174 R175 A176H11-F151 HydrophobicContact CB-CB 4.2Å; H11-F151 HydrophobicContact CB-CD1 3.75Å; H11-F151 HydrophobicContact CB-CD2 4.01Å; H11-F151 HydrophobicContact CB-CE1 4.04Å; H11-F151 HydrophobicContact CB-CE2 4.3Å; H11-F151 HydrophobicContact CB-CG 3.73Å; H11-F151 HydrophobicContact CB-CZ 4.31Å; H11-F151 AromaticContact CG-CG 3.7Å; I18-F151 HydrophobicContact CG2-CE1 3.9Å; I149-F151 VanDerWaalsContact CG2-O 3.3Å; I149-F151 WeakPolarHBondContact CG2-O 3.43Å; F151-V153 HydrophobicContact CD1-CG2 4.1Å; F151-V153 HydrophobicContact CE1-CG2 3.31Å; F151-V153 HydrophobicContact CE2-CG2 4.19Å; F151-V153 HydrophobicContact CZ-CG2 3.36Å; F151-F174 AromaticContact CD1-CD1 3.87Å; F151-F174 HydrophobicContact CD1-CD1 3.87Å; F151-F174 AromaticContact CD1-CE1 3.86Å; F151-F174 HydrophobicContact CD1-CE1 3.86Å; F151-F174 HydrophobicContact CE1-CD1 4.11Å; F151-F174 HydrophobicContact CE1-CE1 4.32Å; F151-R175 CarbonylContact O-C 3.54Å; F151-R175 WeakPolarHBondContact O-CA 3.47Å; F151-A176 HydrophobicContact CB-CB 4.26Å; F151-A176 PolarHBondContact N-O 3.06Å; F151-A176 PolarHBondContact O-N 2.68Å
152F96.2Very high94.8Very high119 Ų11964.7 Ų64.752%0.52229%0.293SS..EExtended strand (participates in β ladder)trans-137.6140.1-179.9177.5-99.3000109.6I149 N154 F174 R175I149-F152 HydrophobicContact CG2-CB 3.96Å; F152-N154 HydrophobicContact CE1-CB 3.94Å; F152-N154 HydrophobicContact CZ-CB 4.04Å; F152-F174 CarbonylContact C-O 3.59Å; F152-F174 WeakPolarHBondContact CA-O 3.32Å; F152-F174 WeakPolarHBondContact CD2-O 3.4Å; F152-R175 HydrophobicContact CD2-CB 4.18Å
153V95.5Very high94.5Very high7 Ų765.2 Ų65.24%0.04230%0.303CS..EExtended strand (participates in β ladder)trans-138.7141.3177.5-177.80000108.7L20 F151 T155 K173 F174L20-V153 HydrophobicContact CD1-CG1 3.68Å; L20-V153 HydrophobicContact CD2-CB 4.24Å; L20-V153 HydrophobicContact CD2-CG1 3.5Å; L20-V153 HydrophobicContact CD2-CG2 3.7Å; L20-V153 HydrophobicContact CG-CG1 4.17Å; F151-V153 HydrophobicContact CD1-CG2 4.1Å; F151-V153 HydrophobicContact CE1-CG2 3.31Å; F151-V153 HydrophobicContact CE2-CG2 4.19Å; F151-V153 HydrophobicContact CZ-CG2 3.36Å; V153-T155 HydrophobicContact CG1-CG2 4.23Å; V153-K173 CarbonylContact O-C 3.53Å; V153-K173 WeakPolarHBondContact O-CA 3.34Å; V153-F174 HydrophobicContact CB-CB 4.23Å; V153-F174 PolarHBondContact N-O 3.24Å; V153-F174 PolarHBondContact O-N 2.87Å
154N96.5Very high94.2Very high76 Ų7670.6 Ų70.641%0.40633%0.331SS..EExtended strand (participates in β ladder)trans-137.3107.7166.8179.514.6000107.6F152 N171 I172 K173F152-N154 HydrophobicContact CE1-CB 3.94Å; F152-N154 HydrophobicContact CZ-CB 4.04Å; N154-N171 PolarHBondContact OD1-ND2 3.19Å; N154-N171 PolarHBondContact OD1-OD1 3.39Å; N154-I172 CarbonylContact C-O 3.57Å; N154-I172 WeakPolarHBondContact CA-O 3.45Å; N154-K173 HydrophobicContact CB-CG 4.29Å
155T96Very high93.9Very high5 Ų564 Ų643%0.03131%0.31CS..EExtended strand (participates in β ladder)trans-133.6138-174.8-166.60000110.9L20 N53 V153 N171 I172L20-T155 HydrophobicContact CD1-CG2 4.2Å; N53-T155 PolarHBondContact ND2-OG1 2.87Å; V153-T155 HydrophobicContact CG1-CG2 4.23Å; T155-N171 PolarHBondContact O-ND2 3.22Å; T155-I172 HydrophobicContact CG2-CB 4.12Å; T155-I172 HydrophobicContact CG2-CD1 4.29Å; T155-I172 PolarHBondContact N-O 3.42Å; T155-I172 PolarHBondContact O-N 3.38Å
156T97.3Very high93.8Very high29 Ų2957.7 Ų57.718%0.17829%0.288CS..EExtended strand (participates in β ladder)trans-95.7137.9176.4-630000109.1F50 N53 Y158 E159 I169 N171F50-T156 HydrophobicContact CD2-CG2 4.18Å; F50-T156 WeakPolarHBondContact CD2-O 3.3Å; F50-T156 HydrophobicContact CE2-CG2 3.95Å; N53-T156 PolarHBondContact ND2-O 3.2Å; T156-Y158 WeakPolarHBondContact CG2-O 3.42Å; T156-E159 HydrophobicContact CG2-CB 4.35Å; T156-I169 HydrophobicContact CG2-CG2 3.95Å; T156-N171 PolarHBondContact OG1-ND2 2.97Å
157L98.2Very high94Very high0 Ų049 Ų490%025%0.251CS..EExtended strand (participates in β ladder)trans-91.7-46.2175.3-67.4-173.5000111.2F50 N53 A74 L170 I172F50-L157 PolarHBondContact N-O 3.29Å; N53-L157 HydrophobicContact CB-CD2 4.24Å; A74-L157 HydrophobicContact CB-CB 4.08Å; A74-L157 WeakPolarHBondContact CB-O 3.4Å; L157-L170 HydrophobicContact CB-CB 4.37Å; L157-L170 HydrophobicContact CB-CD2 4.07Å; L157-L170 HydrophobicContact CB-CG 4.26Å; L157-L170 HydrophobicContact CD1-CD2 3.57Å; L157-L170 HydrophobicContact CD1-CG 4.1Å; L157-L170 HydrophobicContact CG-CD2 4.37Å; L157-L170 PolarHBondContact N-O 3.14Å; L157-I172 HydrophobicContact CD1-CD1 3.72Å; L157-I172 HydrophobicContact CD1-CG1 4.38Å; L157-I172 HydrophobicContact CD2-CD1 3.82Å; L157-I172 HydrophobicContact CG-CD1 3.69Å; L157-I172 HydrophobicContact CG-CG1 4.36Å
158Y98.4Very high94.2Very high0 Ų047.4 Ų47.40%024%0.243CC..EExtended strand (participates in β ladder)trans-155160171.164.3-98.9000111.7P46 M48 A77 L78 F117 T119 T156 L170 F187P46-Y158 HydrophobicContact CB-CD2 4.22Å; P46-Y158 HydrophobicContact CG-CD2 3.73Å; P46-Y158 HydrophobicContact CG-CE2 4.37Å; P46-Y158 HydrophobicContact CG-CG 4.06Å; M48-Y158 CarbonylContact O-C 3.48Å; M48-Y158 WeakPolarHBondContact O-CA 3.37Å; M48-Y158 WeakPolarHBondContact O-CB 3.35Å; A77-Y158 HydrophobicContact CB-CE1 4.19Å; L78-Y158 HydrophobicContact CD1-CD1 4.33Å; L78-Y158 HydrophobicContact CD2-CD1 3.94Å; L78-Y158 HydrophobicContact CD2-CD2 4.42Å; L78-Y158 HydrophobicContact CD2-CE1 3.73Å; L78-Y158 HydrophobicContact CD2-CE2 4.25Å; L78-Y158 HydrophobicContact CD2-CG 4.28Å; L78-Y158 HydrophobicContact CG-CD1 3.96Å; L78-Y158 HydrophobicContact CG-CE1 3.97Å; F117-Y158 HydrophobicContact CB-CE2 3.92Å; F117-Y158 PolarHBondContact O-OH 2.73Å; T119-Y158 WeakPolarHBondContact CG2-OH 3.44Å; T156-Y158 WeakPolarHBondContact CG2-O 3.42Å; Y158-L170 HydrophobicContact CD1-CB 3.83Å; Y158-L170 HydrophobicContact CD1-CD2 4Å; Y158-L170 HydrophobicContact CD2-CB 4.36Å; Y158-L170 HydrophobicContact CE1-CB 3.49Å; Y158-L170 VanDerWaalsContact CE1-CB 3.49Å; Y158-L170 HydrophobicContact CE1-CD2 3.39Å; Y158-L170 HydrophobicContact CE1-CG 4.07Å; Y158-L170 HydrophobicContact CE2-CB 4.07Å; Y158-L170 HydrophobicContact CG-CB 4.26Å; Y158-L170 PolarHBondContact O-N 2.83Å; Y158-F187 HydrophobicContact CE2-CE2 4.22Å
159E97.8Very high94.3Very high45 Ų4543.3 Ų43.321%0.2122%0.215CC..EExtended strand (participates in β ladder)trans-149.6144.5179.8179.7169.9174.800110.3M48 T156 I167 S168 I169M48-E159 HydrophobicContact CB-CB 4.24Å; M48-E159 HydrophobicContact CE-CB 4.03Å; M48-E159 HydrophobicContact CE-CG 3.59Å; M48-E159 PolarHBondContact N-O 3.22Å; M48-E159 PolarHBondContact O-N 2.81Å; T156-E159 HydrophobicContact CG2-CB 4.35Å; E159-I167 HydrophobicContact CG-CD1 4.47Å; E159-S168 CarbonylContact C-O 3.56Å; E159-S168 VanDerWaalsContact CA-O 3.22Å; E159-S168 WeakPolarHBondContact CA-O 3.26Å; E159-I169 HydrophobicContact CG-CG1 4.07Å
160D96Very high94.5Very high0 Ų039 Ų390%019%0.193CC..EExtended strand (participates in β ladder)trans-148.3132.5174.8-164.7-70.1000109.5P46 E47 R100 F117 L162 I167 S168P46-D160 VanDerWaalsContact CA-OD2 3.3Å; P46-D160 WeakPolarHBondContact CA-OD2 3.37Å; P46-D160 HydrophobicContact CB-CB 4.11Å; E47-D160 PolarHBondContact N-OD2 3.43Å; R100-D160 IonicContact CZ-OD1 2.73Å; R100-D160 IonicContact CZ-OD2 3.63Å; R100-D160 IonicContact NH1-OD1 3.53Å; R100-D160 IonicContact NH1-OD2 2.63Å; R100-D160 PolarHBondContact NH1-OD2 3.27Å; R100-D160 VanDerWaalsContact NH2-CG 3.33Å; R100-D160 IonicContact NH2-OD1 3.74Å; R100-D160 PolarHBondContact NH2-OD1 2.82Å; R100-D160 IonicContact NH2-OD2 3.57Å; R100-D160 PolarHBondContact NH2-OD2 2.82Å; R100-D160 VanDerWaalsContact NH2-OD2 3.08Å; F117-D160 HydrophobicContact CD2-CB 3.99Å; F117-D160 HydrophobicContact CE2-CB 4.02Å; F117-D160 WeakPolarHBondContact CE2-OD2 3.37Å; D160-L162 HydrophobicContact CB-CD2 4.31Å; D160-L162 PolarHBondContact O-N 3.33Å; D160-L162 VanDerWaalsContact OD1-CA 3.27Å; D160-L162 WeakPolarHBondContact OD1-CA 3.18Å; D160-L162 PolarHBondContact OD1-N 3.31Å; D160-I167 CarbonylContact O-C 3.55Å; D160-I167 WeakPolarHBondContact O-CA 3.26Å; D160-S168 PolarHBondContact N-O 3.4Å; D160-S168 PolarHBondContact O-N 2.69Å
161E93.6Very high94.6Very high86 Ų8631.3 Ų31.340%0.40216%0.164SC..  trans-81.45.2179.2-63.8-175.716000113G163 D164 G166E161-G163 PolarHBondContact O-N 3.28Å; E161-G163 VanDerWaalsContact O-N 3.12Å; E161-D164 PolarHBondContact O-N 2.89Å; E161-G166 CarbonylContact C-O 3.52Å; E161-G166 VanDerWaalsContact C-O 3.29Å; E161-G166 CarbonylContact O-C 3.58Å
162L90.6Very high94.8Very high0 Ų029.7 Ų29.70%016%0.157CC..G310 helixtrans50.142.9178-54.2-179000111.3W96 W115 F117 D160 D164 N165 L189 I191W96-L162 VanDerWaalsContact CE2-O 3.25Å; W96-L162 HydrophobicContact CZ2-CB 4.36Å; W96-L162 PolarHBondContact NE1-O 3.08Å; W115-L162 HydrophobicContact CE3-CD2 4.13Å; W115-L162 HydrophobicContact CZ3-CB 4.08Å; W115-L162 HydrophobicContact CZ3-CD1 3.96Å; W115-L162 HydrophobicContact CZ3-CD2 4.19Å; W115-L162 HydrophobicContact CZ3-CG 4.3Å; F117-L162 HydrophobicContact CD2-CD2 4.48Å; D160-L162 HydrophobicContact CB-CD2 4.31Å; D160-L162 PolarHBondContact O-N 3.33Å; D160-L162 VanDerWaalsContact OD1-CA 3.27Å; D160-L162 WeakPolarHBondContact OD1-CA 3.18Å; D160-L162 PolarHBondContact OD1-N 3.31Å; L162-D164 PolarHBondContact O-N 3.17Å; L162-N165 PolarHBondContact O-N 3.26Å; L162-N165 VanDerWaalsContact O-N 3.16Å; L162-L189 HydrophobicContact CD1-CD1 3.55Å; L162-I191 HydrophobicContact CD1-CG1 4.37Å
163G84.2Confident94.8Very high24 Ų2426.4 Ų26.425%0.24714%0.142CC..G310 helixtrans38.661.9-168.800000113.2E161 N165E161-G163 PolarHBondContact O-N 3.28Å; E161-G163 VanDerWaalsContact O-N 3.12Å; G163-N165 PolarHBondContact O-N 3.2Å; G163-N165 PolarHBondContact O-ND2 3.27Å
164D86.1Confident95Very high133 Ų13326.1 Ų26.171%0.71114%0.141SC*.G310 helixtrans64.810.4176.4-55.7-45.9000116.1E161 L162E161-D164 PolarHBondContact O-N 2.89Å; L162-D164 PolarHBondContact O-N 3.17Å
165N87.2Confident95Very high48 Ų4825.7 Ų25.726%0.25713%0.134SC..THydrogen-bonded Turntrans-104.410.5179-68.5-85.5000113.1F92 L162 G163 D192F92-N165 HydrophobicContact CD2-CB 3.93Å; F92-N165 HydrophobicContact CE2-CB 3.76Å; L162-N165 PolarHBondContact O-N 3.26Å; L162-N165 VanDerWaalsContact O-N 3.16Å; G163-N165 PolarHBondContact O-N 3.2Å; G163-N165 PolarHBondContact O-ND2 3.27Å; N165-D192 PolarHBondContact O-N 3.12Å
166G90.8Very high95.1Very high5 Ų525.5 Ų25.55%0.05213%0.132CC..EExtended strand (participates in β ladder)trans164.1-156.3-178.800000112.2E161 R190E161-G166 CarbonylContact C-O 3.52Å; E161-G166 VanDerWaalsContact C-O 3.29Å; E161-G166 CarbonylContact O-C 3.58Å; G166-R190 CarbonylContact C-O 3.51Å; G166-R190 WeakPolarHBondContact CA-O 3.33Å
167I95.3Very high95Very high26 Ų2624.2 Ų24.213%0.13312%0.124CC..EExtended strand (participates in β ladder)trans-157.1140.7172.8-169.6164.3000109.5E159 D160 I169 F188 L189 R190E159-I167 HydrophobicContact CG-CD1 4.47Å; D160-I167 CarbonylContact O-C 3.55Å; D160-I167 WeakPolarHBondContact O-CA 3.26Å; I167-I169 HydrophobicContact CD1-CD1 3.66Å; I167-I169 HydrophobicContact CD1-CG1 3.94Å; I167-I169 HydrophobicContact CG1-CD1 4.04Å; I167-I169 HydrophobicContact CG1-CG1 3.73Å; I167-F188 HydrophobicContact CG2-CD1 4.36Å; I167-F188 HydrophobicContact CG2-CE1 3.64Å; I167-F188 HydrophobicContact CG2-CZ 4.24Å; I167-L189 CarbonylContact O-C 3.04Å; I167-L189 WeakPolarHBondContact O-CA 3.41Å; I167-R190 HydrophobicContact CG2-CB 4.05Å; I167-R190 PolarHBondContact N-O 3.23Å; I167-R190 PolarHBondContact O-N 2.89Å
168S96.8Very high94.8Very high0 Ų026.4 Ų26.40%014%0.139CC..EExtended strand (participates in β ladder)trans-122.513216869.30000108.9T116 E159 D160 F188T116-S168 VanDerWaalsContact O-CB 3.22Å; T116-S168 WeakPolarHBondContact O-CB 3.32Å; E159-S168 CarbonylContact C-O 3.56Å; E159-S168 VanDerWaalsContact CA-O 3.22Å; E159-S168 WeakPolarHBondContact CA-O 3.26Å; D160-S168 PolarHBondContact N-O 3.4Å; D160-S168 PolarHBondContact O-N 2.69Å; S168-F188 CarbonylContact C-O 3.59Å; S168-F188 VanDerWaalsContact CA-O 3.31Å; S168-F188 WeakPolarHBondContact CA-O 3.33Å
169I98.3Very high94.7Very high15 Ų1527.3 Ų27.38%0.07715%0.146CC..EExtended strand (participates in β ladder)trans-139.4131.9-178.9-44.2-174.2000109.1T156 E159 I167 N171 F187 F188T156-I169 HydrophobicContact CG2-CG2 3.95Å; E159-I169 HydrophobicContact CG-CG1 4.07Å; I167-I169 HydrophobicContact CD1-CD1 3.66Å; I167-I169 HydrophobicContact CD1-CG1 3.94Å; I167-I169 HydrophobicContact CG1-CD1 4.04Å; I167-I169 HydrophobicContact CG1-CG1 3.73Å; I169-N171 HydrophobicContact CG2-CB 4.24Å; I169-F187 CarbonylContact O-C 3.43Å; I169-F187 WeakPolarHBondContact O-CA 3.47Å; I169-F188 HydrophobicContact CD1-CD1 4.14Å; I169-F188 HydrophobicContact CG1-CD1 4.2Å; I169-F188 PolarHBondContact N-O 3.35Å; I169-F188 PolarHBondContact O-N 2.77Å
170L98.7Very high94.7Very high0 Ų025.1 Ų25.10%014%0.136CC..EExtended strand (participates in β ladder)trans-108.4110.7163.1-17567.6000110A77 T119 L157 Y158 Q185 F187A77-L170 HydrophobicContact CB-CD2 3.46Å; A77-L170 VanDerWaalsContact CB-CD2 3.46Å; T119-L170 HydrophobicContact CG2-CD1 4.16Å; T119-L170 HydrophobicContact CG2-CD2 4.09Å; L157-L170 HydrophobicContact CB-CB 4.37Å; L157-L170 HydrophobicContact CB-CD2 4.07Å; L157-L170 HydrophobicContact CB-CG 4.26Å; L157-L170 HydrophobicContact CD1-CD2 3.57Å; L157-L170 HydrophobicContact CD1-CG 4.1Å; L157-L170 HydrophobicContact CG-CD2 4.37Å; L157-L170 PolarHBondContact N-O 3.14Å; Y158-L170 HydrophobicContact CD1-CB 3.83Å; Y158-L170 HydrophobicContact CD1-CD2 4Å; Y158-L170 HydrophobicContact CD2-CB 4.36Å; Y158-L170 HydrophobicContact CE1-CB 3.49Å; Y158-L170 VanDerWaalsContact CE1-CB 3.49Å; Y158-L170 HydrophobicContact CE1-CD2 3.39Å; Y158-L170 HydrophobicContact CE1-CG 4.07Å; Y158-L170 HydrophobicContact CE2-CB 4.07Å; Y158-L170 HydrophobicContact CG-CB 4.26Å; Y158-L170 PolarHBondContact O-N 2.83Å; L170-Q185 HydrophobicContact CD1-CG 3.81Å; L170-F187 HydrophobicContact CD1-CB 3.86Å
171N98.4Very high94.7Very high6 Ų625.1 Ų25.13%0.03214%0.136CC..EExtended strand (participates in β ladder)trans-121.7148.5-174.7177.8-100.1000111.9N154 T155 T156 I169 K173 Q185 R186 L233N154-N171 PolarHBondContact OD1-ND2 3.19Å; N154-N171 PolarHBondContact OD1-OD1 3.39Å; T155-N171 PolarHBondContact O-ND2 3.22Å; T156-N171 PolarHBondContact OG1-ND2 2.97Å; I169-N171 HydrophobicContact CG2-CB 4.24Å; N171-K173 WeakPolarHBondContact OD1-CE 3.3Å; N171-K173 WeakPolarHBondContact OD1-CG 3.23Å; N171-Q185 CarbonylContact O-C 3.58Å; N171-Q185 VanDerWaalsContact O-CA 3.32Å; N171-Q185 WeakPolarHBondContact O-CA 3.36Å; N171-R186 PolarHBondContact N-O 3.21Å; N171-R186 PolarHBondContact O-N 3.06Å; N171-L233 HydrophobicContact CB-CD1 3.85Å
172I98.3Very high95Very high0 Ų022.2 Ų22.20%012%0.122CC..EExtended strand (participates in β ladder)trans-124.5124.2176.5-55.2158.8000109.3L55 F72 N154 T155 L157 L183 L184 Q185L55-I172 HydrophobicContact CB-CD1 4.5Å; L55-I172 HydrophobicContact CD2-CG2 3.68Å; F72-I172 HydrophobicContact CB-CD1 3.42Å; F72-I172 VanDerWaalsContact CB-CD1 3.42Å; F72-I172 HydrophobicContact CB-CG1 4.4Å; F72-I172 HydrophobicContact CG-CD1 4.25Å; N154-I172 CarbonylContact C-O 3.57Å; N154-I172 WeakPolarHBondContact CA-O 3.45Å; T155-I172 HydrophobicContact CG2-CB 4.12Å; T155-I172 HydrophobicContact CG2-CD1 4.29Å; T155-I172 PolarHBondContact N-O 3.42Å; T155-I172 PolarHBondContact O-N 3.38Å; L157-I172 HydrophobicContact CD1-CD1 3.72Å; L157-I172 HydrophobicContact CD1-CG1 4.38Å; L157-I172 HydrophobicContact CD2-CD1 3.82Å; L157-I172 HydrophobicContact CG-CD1 3.69Å; L157-I172 HydrophobicContact CG-CG1 4.36Å; I172-L183 HydrophobicContact CG2-CD1 4.1Å; I172-L183 HydrophobicContact CG2-CD2 4.47Å; I172-L183 HydrophobicContact CG2-CG 4.11Å; I172-L184 CarbonylContact C-O 3.56Å; I172-L184 WeakPolarHBondContact CA-O 3.22Å; I172-Q185 HydrophobicContact CG1-CB 4.37Å; I172-Q185 HydrophobicContact CG1-CG 4.17Å
173K97.8Very high95.3Very high49 Ų4922.2 Ų22.221%0.21312%0.122CC..EExtended strand (participates in β ladder)trans-112.3126.8169.1-66176.9-176176.80108.9V153 N154 N171 L183 L184 E234V153-K173 CarbonylContact O-C 3.53Å; V153-K173 WeakPolarHBondContact O-CA 3.34Å; N154-K173 HydrophobicContact CB-CG 4.29Å; N171-K173 WeakPolarHBondContact OD1-CE 3.3Å; N171-K173 WeakPolarHBondContact OD1-CG 3.23Å; K173-L183 CarbonylContact O-C 3.57Å; K173-L183 WeakPolarHBondContact O-CA 3.17Å; K173-L184 PolarHBondContact N-O 2.84Å; K173-L184 PolarHBondContact O-N 2.91Å; K173-E234 IonicContact NZ-OE1 2.66Å; K173-E234 PolarHBondContact NZ-OE1 2.85Å
174F98.2Very high96Very high1 Ų122.5 Ų22.50%0.00412%0.117CC..EExtended strand (participates in β ladder)trans-127.2139.3177.9-178.9-88.6000110.3I18 L55 I57 F151 F152 V153 A176 F181 F182 L183I18-F174 HydrophobicContact CB-CZ 4.49Å; I18-F174 HydrophobicContact CD1-CZ 4.05Å; I18-F174 HydrophobicContact CG1-CE1 4.05Å; I18-F174 HydrophobicContact CG1-CE2 4.22Å; I18-F174 HydrophobicContact CG1-CZ 3.57Å; I18-F174 HydrophobicContact CG2-CD1 4.44Å; I18-F174 HydrophobicContact CG2-CE1 4.1Å; I18-F174 HydrophobicContact CG2-CZ 4.29Å; L55-F174 HydrophobicContact CD2-CB 3.71Å; L55-F174 HydrophobicContact CD2-CD2 4.03Å; L55-F174 HydrophobicContact CD2-CG 4.03Å; I57-F174 HydrophobicContact CD1-CD2 4.35Å; I57-F174 HydrophobicContact CD1-CE2 3.92Å; I57-F174 HydrophobicContact CG1-CE2 4.3Å; F151-F174 AromaticContact CD1-CD1 3.87Å; F151-F174 HydrophobicContact CD1-CD1 3.87Å; F151-F174 AromaticContact CD1-CE1 3.86Å; F151-F174 HydrophobicContact CD1-CE1 3.86Å; F151-F174 HydrophobicContact CE1-CD1 4.11Å; F151-F174 HydrophobicContact CE1-CE1 4.32Å; F152-F174 CarbonylContact C-O 3.59Å; F152-F174 WeakPolarHBondContact CA-O 3.32Å; F152-F174 WeakPolarHBondContact CD2-O 3.4Å; V153-F174 HydrophobicContact CB-CB 4.23Å; V153-F174 PolarHBondContact N-O 3.24Å; V153-F174 PolarHBondContact O-N 2.87Å; F174-A176 HydrophobicContact CE1-CB 3.8Å; F174-A176 HydrophobicContact CZ-CB 4.25Å; F174-F181 HydrophobicContact CE1-CB 4.32Å; F174-F181 HydrophobicContact CE2-CB 3.9Å; F174-F181 AromaticContact CE2-CD2 3.63Å; F174-F181 HydrophobicContact CE2-CD2 3.63Å; F174-F181 HydrophobicContact CE2-CE2 4.35Å; F174-F181 AromaticContact CE2-CG 3.87Å; F174-F181 HydrophobicContact CE2-CG 3.87Å; F174-F181 HydrophobicContact CZ-CB 3.46Å; F174-F181 VanDerWaalsContact CZ-CB 3.46Å; F174-F181 HydrophobicContact CZ-CD1 4.36Å; F174-F181 AromaticContact CZ-CD2 3.99Å; F174-F181 HydrophobicContact CZ-CD2 3.99Å; F174-F181 AromaticContact CZ-CG 3.7Å; F174-F181 HydrophobicContact CZ-CG 3.7Å; F174-F182 WeakPolarHBondContact CA-O 3.44Å; F174-L183 HydrophobicContact CD2-CB 3.93Å; F174-L183 HydrophobicContact CD2-CD1 4.09Å; F174-L183 HydrophobicContact CD2-CG 4.35Å
175R97.4Very high96.6Very high68 Ų6816.3 Ų16.326%0.2578%0.084SC..EExtended strand (participates in β ladder)trans-138.3132.7172.162.6-175.1-177.4167.36.3110.8L143 I149 F151 F152 F181 F182L143-R175 PolarHBondContact O-NH2 3.2Å; I149-R175 HydrophobicContact CG2-CB 4.24Å; F151-R175 CarbonylContact O-C 3.54Å; F151-R175 WeakPolarHBondContact O-CA 3.47Å; F152-R175 HydrophobicContact CD2-CB 4.18Å; R175-F181 CarbonylContact O-C 3.58Å; R175-F181 VanDerWaalsContact O-CA 3.29Å; R175-F181 WeakPolarHBondContact O-CA 3.32Å; R175-F181 WeakPolarHBondContact O-CB 3.42Å; R175-F182 HydrophobicContact CG-CB 4.06Å; R175-F182 PolarHBondContact N-O 2.69Å; R175-F182 PolarHBondContact O-N 3.15Å
176A97.1Very high97.1Very high0 Ų014.8 Ų14.80%08%0.075CC..EExtended strand (participates in β ladder)trans-114.5135.9169.800000110.9L13 R150 F151 F174 F181L13-A176 HydrophobicContact CD2-CB 4.46Å; R150-A176 PolarHBondContact N-O 3.38Å; F151-A176 HydrophobicContact CB-CB 4.26Å; F151-A176 PolarHBondContact N-O 3.06Å; F151-A176 PolarHBondContact O-N 2.68Å; F174-A176 HydrophobicContact CE1-CB 3.8Å; F174-A176 HydrophobicContact CZ-CB 4.25Å; A176-F181 HydrophobicContact CB-CB 4.03Å
177M96.2Very high97.5Very high3 Ų314.6 Ų14.62%0.0157%0.072CC..EExtended strand (participates in β ladder)trans-113.2176.7171.9-64.8146-68.700107.9L13 Y142 D147 S179 G180L13-M177 WeakPolarHBondContact CD1-O 3.39Å; L13-M177 WeakPolarHBondContact CD2-O 3.4Å; Y142-M177 HydrophobicContact CE1-CE 4.05Å; Y142-M177 WeakPolarHBondContact OH-CE 3.32Å; D147-M177 HydrophobicContact CB-CB 4.07Å; D147-M177 HydrophobicContact CB-CG 3.92Å; D147-M177 HydrophobicContact CB-SD 4Å; M177-S179 PolarHBondContact O-N 2.91Å; M177-G180 PolarHBondContact N-O 2.75Å; M177-G180 VanDerWaalsContact O-O 3.1Å
178S94.7Very high97.6Very high45 Ų4513.5 Ų13.532%0.3157%0.067SC..THydrogen-bonded Turntrans-67.3-24.2174.2-43.90000112.4R150R150-S178 PolarHBondContact NE-OG 2.56Å; R150-S178 PolarHBondContact NH2-OG 3.38Å
179S95.1Very high97.6Very high19 Ų1913.5 Ų13.513%0.1337%0.067CC..THydrogen-bonded Turntrans-95.5-0.5-172.255.50000113.4Y142 D147 M177 Q207Y142-S179 WeakPolarHBondContact CE2-OG 3.31Å; Y142-S179 PolarHBondContact OH-O 3.41Å; Y142-S179 PolarHBondContact OH-OG 2.87Å; D147-S179 PolarHBondContact OD2-OG 2.98Å; M177-S179 PolarHBondContact O-N 2.91Å; S179-Q207 WeakPolarHBondContact O-CB 3.1Å; S179-Q207 PolarHBondContact O-N 3.27Å
180G97Very high97.5Very high0 Ų014.8 Ų14.80%07%0.071CC..EExtended strand (participates in β ladder)trans147.1-172.4-172.800000113.7L13 Y142 M177 W205L13-G180 WeakPolarHBondContact CD2-O 3.45Å; Y142-G180 WeakPolarHBondContact OH-CA 3.31Å; Y142-G180 PolarHBondContact OH-N 2.82Å; Y142-G180 VanDerWaalsContact OH-N 3.12Å; M177-G180 PolarHBondContact N-O 2.75Å; M177-G180 VanDerWaalsContact O-O 3.1Å; G180-W205 CarbonylContact C-O 3.57Å; G180-W205 WeakPolarHBondContact CA-O 3.41Å
181F97.8Very high97.1Very high0 Ų014.8 Ų14.80%07%0.071CC..EExtended strand (participates in β ladder)trans-140162176.763.4-107.9000112.8L13 W16 I18 I57 F174 R175 A176 W205 L212L13-F181 HydrophobicContact CD2-CB 4.45Å; L13-F181 HydrophobicContact CD2-CD1 4.04Å; W16-F181 HydrophobicContact CB-CE1 3.96Å; W16-F181 AromaticContact CD1-CE1 3.93Å; W16-F181 AromaticContact CD2-CE1 3.98Å; W16-F181 HydrophobicContact CD2-CE1 3.98Å; W16-F181 HydrophobicContact CD2-CZ 4.17Å; W16-F181 HydrophobicContact CE3-CZ 4.41Å; W16-F181 AromaticContact CG-CE1 3.68Å; W16-F181 HydrophobicContact CG-CE1 3.68Å; W16-F181 HydrophobicContact CG-CZ 4.35Å; I18-F181 HydrophobicContact CD1-CD1 4.45Å; I57-F181 HydrophobicContact CD1-CE2 4.08Å; I57-F181 HydrophobicContact CG2-CE1 4.38Å; I57-F181 HydrophobicContact CG2-CE2 4.3Å; I57-F181 HydrophobicContact CG2-CZ 3.76Å; F174-F181 HydrophobicContact CE1-CB 4.32Å; F174-F181 HydrophobicContact CE2-CB 3.9Å; F174-F181 AromaticContact CE2-CD2 3.63Å; F174-F181 HydrophobicContact CE2-CD2 3.63Å; F174-F181 HydrophobicContact CE2-CE2 4.35Å; F174-F181 AromaticContact CE2-CG 3.87Å; F174-F181 HydrophobicContact CE2-CG 3.87Å; F174-F181 HydrophobicContact CZ-CB 3.46Å; F174-F181 VanDerWaalsContact CZ-CB 3.46Å; F174-F181 HydrophobicContact CZ-CD1 4.36Å; F174-F181 AromaticContact CZ-CD2 3.99Å; F174-F181 HydrophobicContact CZ-CD2 3.99Å; F174-F181 AromaticContact CZ-CG 3.7Å; F174-F181 HydrophobicContact CZ-CG 3.7Å; R175-F181 CarbonylContact O-C 3.58Å; R175-F181 VanDerWaalsContact O-CA 3.29Å; R175-F181 WeakPolarHBondContact O-CA 3.32Å; R175-F181 WeakPolarHBondContact O-CB 3.42Å; A176-F181 HydrophobicContact CB-CB 4.03Å; F181-W205 HydrophobicContact CD1-CB 3.96Å; F181-W205 HydrophobicContact CD1-CD2 4.27Å; F181-W205 AromaticContact CD1-CE3 3.66Å; F181-W205 HydrophobicContact CD1-CE3 3.66Å; F181-W205 HydrophobicContact CD1-CG 4.42Å; F181-W205 HydrophobicContact CD2-CB 4.03Å; F181-W205 HydrophobicContact CE1-CB 3.52Å; F181-W205 AromaticContact CE1-CD2 3.89Å; F181-W205 HydrophobicContact CE1-CD2 3.89Å; F181-W205 AromaticContact CE1-CE3 3.71Å; F181-W205 HydrophobicContact CE1-CE3 3.71Å; F181-W205 AromaticContact CE1-CG 3.82Å; F181-W205 HydrophobicContact CE1-CG 3.82Å; F181-W205 HydrophobicContact CE2-CB 3.61Å; F181-W205 HydrophobicContact CG-CB 4.2Å; F181-W205 HydrophobicContact CZ-CB 3.35Å; F181-W205 AromaticContact CZ-CG 3.97Å; F181-W205 HydrophobicContact CZ-CG 3.97Å; F181-W205 PolarHBondContact N-O 2.82Å; F181-W205 PolarHBondContact O-N 2.86Å; F181-W205 VanDerWaalsContact O-N 3.09Å; F181-L212 HydrophobicContact CE2-CD2 3.92Å; F181-L212 HydrophobicContact CZ-CD2 3.51Å
182F98.2Very high96.6Very high25 Ų2516.9 Ų16.911%0.118%0.082CC..EExtended strand (participates in β ladder)trans-138.4134.8175.5-179.5-102.7000110.9L138 L143 F174 R175 L184 R202 L203 Q204L138-F182 HydrophobicContact CD1-CE2 4.15Å; L138-F182 HydrophobicContact CD2-CE2 4.43Å; L143-F182 HydrophobicContact CD1-CD2 3.96Å; L143-F182 HydrophobicContact CD1-CE2 3.69Å; L143-F182 HydrophobicContact CD1-CZ 4.25Å; L143-F182 HydrophobicContact CD2-CB 3.72Å; L143-F182 HydrophobicContact CD2-CD1 4.26Å; L143-F182 HydrophobicContact CD2-CD2 3.36Å; L143-F182 HydrophobicContact CD2-CE2 3.98Å; L143-F182 HydrophobicContact CD2-CG 3.51Å; L143-F182 HydrophobicContact CG-CD2 4.32Å; F174-F182 WeakPolarHBondContact CA-O 3.44Å; R175-F182 HydrophobicContact CG-CB 4.06Å; R175-F182 PolarHBondContact N-O 2.69Å; R175-F182 PolarHBondContact O-N 3.15Å; F182-L184 HydrophobicContact CE1-CB 4Å; F182-L184 HydrophobicContact CZ-CB 4.48Å; F182-R202 HydrophobicContact CE2-CB 3.95Å; F182-R202 HydrophobicContact CE2-CG 4.3Å; F182-R202 HydrophobicContact CZ-CB 4.06Å; F182-R202 HydrophobicContact CZ-CG 3.92Å; F182-L203 CarbonylContact C-O 3.51Å; F182-L203 VanDerWaalsContact CA-O 3.3Å; F182-L203 WeakPolarHBondContact CA-O 3.01Å; F182-L203 VanDerWaalsContact CD2-O 3.26Å; F182-L203 WeakPolarHBondContact CD2-O 3.46Å; F182-Q204 HydrophobicContact CD2-CB 4.29Å
183L98.5Very high96.1Very high0 Ų019.2 Ų19.20%011%0.106CC..EExtended strand (participates in β ladder)trans-117.9139.3173-174.7146.7000109.3L55 I57 F72 I172 K173 F174 Q185 R202 L203L55-L183 HydrophobicContact CD2-CD1 3.51Å; I57-L183 HydrophobicContact CD1-CD1 3.77Å; F72-L183 HydrophobicContact CD2-CD1 3.83Å; F72-L183 HydrophobicContact CE1-CD2 4.09Å; F72-L183 HydrophobicContact CE2-CD1 3.47Å; F72-L183 VanDerWaalsContact CE2-CD1 3.47Å; F72-L183 HydrophobicContact CE2-CD2 4.12Å; F72-L183 HydrophobicContact CE2-CG 4.49Å; F72-L183 HydrophobicContact CZ-CD1 3.98Å; F72-L183 HydrophobicContact CZ-CD2 3.74Å; I172-L183 HydrophobicContact CG2-CD1 4.1Å; I172-L183 HydrophobicContact CG2-CD2 4.47Å; I172-L183 HydrophobicContact CG2-CG 4.11Å; K173-L183 CarbonylContact O-C 3.57Å; K173-L183 WeakPolarHBondContact O-CA 3.17Å; F174-L183 HydrophobicContact CD2-CB 3.93Å; F174-L183 HydrophobicContact CD2-CD1 4.09Å; F174-L183 HydrophobicContact CD2-CG 4.35Å; L183-Q185 HydrophobicContact CD2-CB 4.09Å; L183-R202 CarbonylContact O-C 3.57Å; L183-R202 WeakPolarHBondContact O-CA 3.45Å; L183-L203 HydrophobicContact CB-CB 3.95Å; L183-L203 HydrophobicContact CB-CD1 4.39Å; L183-L203 HydrophobicContact CB-CG 4.33Å; L183-L203 HydrophobicContact CD1-CD1 4.31Å; L183-L203 HydrophobicContact CD2-CD1 4.41Å; L183-L203 HydrophobicContact CD2-CG 4.32Å; L183-L203 PolarHBondContact N-O 3.2Å; L183-L203 PolarHBondContact O-N 3.19Å
184L98.3Very high95.6Very high30 Ų3017.6 Ų17.616%0.15710%0.103CC..EExtended strand (participates in β ladder)trans-125.1112.6164.3170.264.5000108I172 K173 F182 R186 D200 R202I172-L184 CarbonylContact C-O 3.56Å; I172-L184 WeakPolarHBondContact CA-O 3.22Å; K173-L184 PolarHBondContact N-O 2.84Å; K173-L184 PolarHBondContact O-N 2.91Å; F182-L184 HydrophobicContact CE1-CB 4Å; F182-L184 HydrophobicContact CZ-CB 4.48Å; L184-R186 HydrophobicContact CD1-CB 4.48Å; L184-R186 HydrophobicContact CG-CB 4.41Å; L184-D200 HydrophobicContact CD1-CB 3.92Å; L184-R202 HydrophobicContact CD1-CG 3.78Å
185Q98.5Very high95.3Very high3 Ų318.5 Ų18.51%0.01411%0.109CC..EExtended strand (participates in β ladder)trans-94.7122.3160.5-178.7-150.7-74.100107.3F72 Y121 L170 N171 I172 L183 D200 T201F72-Q185 HydrophobicContact CD1-CB 4.34Å; F72-Q185 HydrophobicContact CD1-CG 4.38Å; F72-Q185 HydrophobicContact CE1-CB 4.21Å; F72-Q185 VanDerWaalsContact CE1-OE1 3.26Å; Y121-Q185 VanDerWaalsContact CD1-OE1 3.23Å; Y121-Q185 PolarHBondContact O-NE2 3.04Å; L170-Q185 HydrophobicContact CD1-CG 3.81Å; N171-Q185 CarbonylContact O-C 3.58Å; N171-Q185 VanDerWaalsContact O-CA 3.32Å; N171-Q185 WeakPolarHBondContact O-CA 3.36Å; I172-Q185 HydrophobicContact CG1-CB 4.37Å; I172-Q185 HydrophobicContact CG1-CG 4.17Å; L183-Q185 HydrophobicContact CD2-CB 4.09Å; Q185-D200 CarbonylContact O-C 3.48Å; Q185-D200 WeakPolarHBondContact O-CA 3.38Å; Q185-T201 PolarHBondContact N-O 2.98Å; Q185-T201 PolarHBondContact O-N 2.88Å
186R98.6Very high95.2Very high15 Ų1515.3 Ų15.36%0.05710%0.096CC..EExtended strand (participates in β ladder)trans-120.5118.7178.2173.8165.3-71.7-171-6.7109.4N171 L184 F188 V198 D200 L233 D237N171-R186 PolarHBondContact N-O 3.21Å; N171-R186 PolarHBondContact O-N 3.06Å; L184-R186 HydrophobicContact CD1-CB 4.48Å; L184-R186 HydrophobicContact CG-CB 4.41Å; R186-F188 HydrophobicContact CG-CB 4.33Å; R186-V198 HydrophobicContact CG-CG1 4.15Å; R186-D200 VanDerWaalsContact CB-OD1 3.26Å; R186-D200 WeakPolarHBondContact CB-OD1 3.26Å; R186-D200 VanDerWaalsContact CG-OD1 3.26Å; R186-D200 WeakPolarHBondContact CG-OD1 3.37Å; R186-D200 IonicContact CZ-OD1 3.02Å; R186-D200 IonicContact CZ-OD2 3.9Å; R186-D200 IonicContact NE-OD1 3.38Å; R186-D200 PolarHBondContact NE-OD1 3.39Å; R186-D200 IonicContact NE-OD2 2.82Å; R186-D200 IonicContact NH2-OD1 2.72Å; R186-D200 IonicContact NH2-OD2 3.04Å; R186-D200 PolarHBondContact NH2-OD2 3.46Å; R186-L233 VanDerWaalsContact CD-O 3.29Å; R186-L233 WeakPolarHBondContact CD-O 3.17Å; R186-L233 PolarHBondContact NH1-O 2.73Å; R186-D237 IonicContact CZ-OD1 3.9Å; R186-D237 IonicContact NH1-OD1 2.71Å; R186-D237 PolarHBondContact NH1-OD1 3.5Å; R186-D237 VanDerWaalsContact NH2-CG 3.34Å; R186-D237 IonicContact NH2-OD1 2.96Å; R186-D237 PolarHBondContact NH2-OD1 3.01Å; R186-D237 IonicContact NH2-OD2 3.94Å
187F98.4Very high95.1Very high1 Ų115.7 Ų15.70%0.00410%0.098CC..EExtended strand (participates in β ladder)trans-85.5123.8156.1176.5-100.6000108.2F117 T118 T119 Y158 I169 L170 L189 R197 V198 Y199F117-F187 WeakPolarHBondContact O-CE2 3.41Å; T118-F187 HydrophobicContact CG2-CD1 4.22Å; T118-F187 HydrophobicContact CG2-CE1 3.8Å; T118-F187 HydrophobicContact CG2-CZ 4.41Å; T118-F187 VanDerWaalsContact OG1-CE1 3.31Å; T118-F187 WeakPolarHBondContact OG1-CE1 3.43Å; T118-F187 WeakPolarHBondContact OG1-CZ 3.3Å; T119-F187 HydrophobicContact CG2-CD2 4.36Å; Y158-F187 HydrophobicContact CE2-CE2 4.22Å; I169-F187 CarbonylContact O-C 3.43Å; I169-F187 WeakPolarHBondContact O-CA 3.47Å; L170-F187 HydrophobicContact CD1-CB 3.86Å; F187-L189 HydrophobicContact CE1-CB 3.56Å; F187-L189 HydrophobicContact CE1-CD2 4.45Å; F187-L189 HydrophobicContact CZ-CB 3.77Å; F187-R197 HydrophobicContact CE1-CG 4.42Å; F187-V198 CarbonylContact O-C 3.58Å; F187-V198 WeakPolarHBondContact O-CA 3.05Å; F187-Y199 HydrophobicContact CD1-CD2 4.48Å; F187-Y199 PolarHBondContact N-O 3.38Å; F187-Y199 PolarHBondContact O-N 2.84Å
188F98Very high95.2Very high4 Ų415.5 Ų15.52%0.01810%0.097CC..EExtended strand (participates in β ladder)trans-119.1127.7176.8165.3-121.2000108.7I167 S168 I169 R186 R190 I196 V198 I231 L233 A236I167-F188 HydrophobicContact CG2-CD1 4.36Å; I167-F188 HydrophobicContact CG2-CE1 3.64Å; I167-F188 HydrophobicContact CG2-CZ 4.24Å; S168-F188 CarbonylContact C-O 3.59Å; S168-F188 VanDerWaalsContact CA-O 3.31Å; S168-F188 WeakPolarHBondContact CA-O 3.33Å; I169-F188 HydrophobicContact CD1-CD1 4.14Å; I169-F188 HydrophobicContact CG1-CD1 4.2Å; I169-F188 PolarHBondContact N-O 3.35Å; I169-F188 PolarHBondContact O-N 2.77Å; R186-F188 HydrophobicContact CG-CB 4.33Å; F188-R190 HydrophobicContact CE2-CB 4.09Å; F188-R190 HydrophobicContact CZ-CB 3.74Å; F188-I196 HydrophobicContact CE2-CG2 4.24Å; F188-V198 HydrophobicContact CD2-CG2 4.38Å; F188-I231 HydrophobicContact CE2-CG2 4.2Å; F188-I231 HydrophobicContact CZ-CG2 3.95Å; F188-L233 HydrophobicContact CB-CB 4.09Å; F188-L233 HydrophobicContact CD1-CB 3.78Å; F188-L233 HydrophobicContact CE1-CB 4.44Å; F188-L233 HydrophobicContact CG-CB 4.02Å; F188-A236 HydrophobicContact CD2-CB 3.45Å; F188-A236 VanDerWaalsContact CD2-CB 3.45Å; F188-A236 HydrophobicContact CE2-CB 3.42Å; F188-A236 VanDerWaalsContact CE2-CB 3.42Å; F188-A236 HydrophobicContact CG-CB 4.44Å; F188-A236 HydrophobicContact CZ-CB 4.39Å
189L96.7Very high95.4Very high0 Ų014.8 Ų14.80%09%0.088CC..EExtended strand (participates in β ladder)trans-127.7130.9172.8167.669.7000108.5I88 T116 L162 I167 F187 I191 I196 R197I88-L189 HydrophobicContact CD1-CD2 3.54Å; T116-L189 HydrophobicContact CG2-CD1 4.34Å; T116-L189 HydrophobicContact CG2-CD2 4.08Å; L162-L189 HydrophobicContact CD1-CD1 3.55Å; I167-L189 CarbonylContact O-C 3.04Å; I167-L189 WeakPolarHBondContact O-CA 3.41Å; F187-L189 HydrophobicContact CE1-CB 3.56Å; F187-L189 HydrophobicContact CE1-CD2 4.45Å; F187-L189 HydrophobicContact CZ-CB 3.77Å; L189-I191 HydrophobicContact CD1-CD1 4.34Å; L189-I191 HydrophobicContact CD1-CG1 3.85Å; L189-I191 HydrophobicContact CD2-CD1 4.25Å; L189-I191 HydrophobicContact CD2-CG1 4.46Å; L189-I191 HydrophobicContact CG-CD1 4.48Å; L189-I191 HydrophobicContact CG-CG1 4.16Å; L189-I196 CarbonylContact O-C 3.53Å; L189-I196 VanDerWaalsContact O-CA 3.3Å; L189-I196 WeakPolarHBondContact O-CA 3.41Å; L189-R197 HydrophobicContact CB-CB 4.09Å; L189-R197 HydrophobicContact CD2-CB 4.2Å; L189-R197 PolarHBondContact N-O 2.72Å; L189-R197 PolarHBondContact O-N 3.02Å
190R94.8Very high95.5Very high41 Ų4113.9 Ų13.916%0.1558%0.082CC..EExtended strand (participates in β ladder)trans-125.3128.6165.8-176.3-163.583.4-141.71.9107.4G166 I167 F188 D192 I196 W224 M228 I231G166-R190 CarbonylContact C-O 3.51Å; G166-R190 WeakPolarHBondContact CA-O 3.33Å; I167-R190 HydrophobicContact CG2-CB 4.05Å; I167-R190 PolarHBondContact N-O 3.23Å; I167-R190 PolarHBondContact O-N 2.89Å; F188-R190 HydrophobicContact CE2-CB 4.09Å; F188-R190 HydrophobicContact CZ-CB 3.74Å; R190-D192 IonicContact CZ-OD1 3.55Å; R190-D192 VanDerWaalsContact CZ-OD1 3.28Å; R190-D192 IonicContact NE-OD1 3.08Å; R190-D192 PolarHBondContact NE-OD1 3.37Å; R190-D192 IonicContact NH2-OD1 3.66Å; R190-D192 PolarHBondContact NH2-OD1 2.89Å; R190-D192 IonicContact NH2-OD2 3.26Å; R190-D192 PolarHBondContact NH2-OD2 2.99Å; R190-I196 HydrophobicContact CG-CG1 4.35Å; R190-W224 HydrophobicContact CG-CZ3 4.37Å; R190-M228 WeakPolarHBondContact CD-O 3.31Å; R190-I231 HydrophobicContact CG-CG2 4.32Å
191I91.6Very high95.6Very high0 Ų014.1 Ų14.10%08%0.083CC..EExtended strand (participates in β ladder)trans-114.1123.5170.5-65.6177.9000107I88 V90 F92 W115 T116 L162 L189 G193 G194 V195 W224I88-I191 HydrophobicContact CB-CD1 4.21Å; I88-I191 HydrophobicContact CD1-CD1 3.67Å; I88-I191 HydrophobicContact CG2-CD1 3.76Å; V90-I191 HydrophobicContact CB-CG2 4.32Å; V90-I191 HydrophobicContact CG1-CG2 3.96Å; V90-I191 HydrophobicContact CG2-CD1 4.26Å; V90-I191 HydrophobicContact CG2-CG2 3.58Å; F92-I191 HydrophobicContact CE2-CG2 3.91Å; F92-I191 HydrophobicContact CZ-CG2 3.63Å; W115-I191 HydrophobicContact CH2-CD1 3.91Å; W115-I191 HydrophobicContact CH2-CG1 4.39Å; W115-I191 HydrophobicContact CZ2-CD1 4.27Å; T116-I191 HydrophobicContact CG2-CD1 3.92Å; L162-I191 HydrophobicContact CD1-CG1 4.37Å; L189-I191 HydrophobicContact CD1-CD1 4.34Å; L189-I191 HydrophobicContact CD1-CG1 3.85Å; L189-I191 HydrophobicContact CD2-CD1 4.25Å; L189-I191 HydrophobicContact CD2-CG1 4.46Å; L189-I191 HydrophobicContact CG-CD1 4.48Å; L189-I191 HydrophobicContact CG-CG1 4.16Å; I191-G193 PolarHBondContact O-N 2.81Å; I191-G194 WeakPolarHBondContact O-CA 3.42Å; I191-G194 PolarHBondContact O-N 2.83Å; I191-V195 HydrophobicContact CD1-CG1 4.21Å; I191-V195 PolarHBondContact N-O 2.9Å; I191-V195 PolarHBondContact O-N 3.22Å; I191-W224 WeakPolarHBondContact O-CZ3 3.05Å
192D88.4Confident95.6Very high51 Ų5115.6 Ų15.627%0.2739%0.088SC..THydrogen-bonded Turntrans-66.1124.9-173.5-67.4-21.9000111F92 N165 R190 G194F92-D192 VanDerWaalsContact CE1-O 3.25Å; F92-D192 WeakPolarHBondContact CE1-O 3.22Å; F92-D192 WeakPolarHBondContact CZ-O 3.46Å; N165-D192 PolarHBondContact O-N 3.12Å; R190-D192 IonicContact CZ-OD1 3.55Å; R190-D192 VanDerWaalsContact CZ-OD1 3.28Å; R190-D192 IonicContact NE-OD1 3.08Å; R190-D192 PolarHBondContact NE-OD1 3.37Å; R190-D192 IonicContact NH2-OD1 3.66Å; R190-D192 PolarHBondContact NH2-OD1 2.89Å; R190-D192 IonicContact NH2-OD2 3.26Å; R190-D192 PolarHBondContact NH2-OD2 2.99Å; D192-G194 PolarHBondContact O-N 2.92Å
193G86.1Confident95.6Very high48 Ų4814.4 Ų14.450%0.4958%0.083SC..THydrogen-bonded Turntrans71.74.3-172.700000114.6I191 W224I191-G193 PolarHBondContact O-N 2.81Å; G193-W224 VanDerWaalsContact CA-CD2 3.45Å; G193-W224 VanDerWaalsContact CA-CE2 3.49Å; G193-W224 VanDerWaalsContact N-CZ2 3.27Å
194G87.6Confident95.6Very high15 Ų1514.5 Ų14.516%0.1558%0.083CC..SBendtrans-112.3-101.2-177.500000112.3I191 D192 W224I191-G194 WeakPolarHBondContact O-CA 3.42Å; I191-G194 PolarHBondContact O-N 2.83Å; D192-G194 PolarHBondContact O-N 2.92Å; G194-W224 WeakPolarHBondContact O-CB 3.32Å
195V92.4Very high95.6Very high21 Ų2113.5 Ų13.513%0.1278%0.078CC..  trans-142.6150.2-166.361.60000110.9I88 I191 E220 S221I88-V195 HydrophobicContact CD1-CG1 3.61Å; I88-V195 HydrophobicContact CG1-CG1 4.35Å; I88-V195 HydrophobicContact CG2-CG1 4.3Å; I191-V195 HydrophobicContact CD1-CG1 4.21Å; I191-V195 PolarHBondContact N-O 2.9Å; I191-V195 PolarHBondContact O-N 3.22Å; V195-E220 HydrophobicContact CG2-CB 4.45Å; V195-S221 WeakPolarHBondContact CG2-O 3.04Å; V195-S221 WeakPolarHBondContact CG2-OG 3.09Å
196I95Very high95.5Very high0 Ų015.6 Ų15.60%09%0.086CC..EExtended strand (participates in β ladder)trans-100.2135.8160.6-65.5173000108.6F188 L189 R190 V198 E220 S221 M228 I231 A236 L239F188-I196 HydrophobicContact CE2-CG2 4.24Å; L189-I196 CarbonylContact O-C 3.53Å; L189-I196 VanDerWaalsContact O-CA 3.3Å; L189-I196 WeakPolarHBondContact O-CA 3.41Å; R190-I196 HydrophobicContact CG-CG1 4.35Å; I196-V198 HydrophobicContact CG2-CG2 4.09Å; I196-E220 CarbonylContact O-C 3.5Å; I196-E220 VanDerWaalsContact O-CA 3.26Å; I196-E220 WeakPolarHBondContact O-CA 3.5Å; I196-S221 PolarHBondContact N-OG 3.33Å; I196-S221 PolarHBondContact O-N 2.97Å; I196-M228 HydrophobicContact CD1-CB 3.7Å; I196-M228 HydrophobicContact CD1-CE 4.17Å; I196-M228 HydrophobicContact CD1-CG 3.44Å; I196-M228 VanDerWaalsContact CD1-CG 3.44Å; I196-M228 HydrophobicContact CD1-SD 3.81Å; I196-M228 HydrophobicContact CG1-CB 4.26Å; I196-M228 HydrophobicContact CG1-CG 4.15Å; I196-M228 HydrophobicContact CG1-SD 3.96Å; I196-I231 HydrophobicContact CD1-CD1 4.12Å; I196-I231 HydrophobicContact CD1-CG2 3.73Å; I196-I231 HydrophobicContact CG1-CG2 4.37Å; I196-A236 HydrophobicContact CG2-CB 4.21Å; I196-L239 HydrophobicContact CD1-CB 3.9Å; I196-L239 HydrophobicContact CD1-CD1 3.9Å; I196-L239 HydrophobicContact CD1-CG 4.47Å
197R96.1Very high95.3Very high8 Ų819 Ų193%0.0310%0.102CC..EExtended strand (participates in β ladder)trans-128.9134.8171.9168.2-172.2-69.2149.63.6109.4I88 T118 F187 L189 Y199 M219 E220I88-R197 VanDerWaalsContact CD1-CZ 3.45Å; T118-R197 PolarHBondContact OG1-NH1 2.94Å; F187-R197 HydrophobicContact CE1-CG 4.42Å; L189-R197 HydrophobicContact CB-CB 4.09Å; L189-R197 HydrophobicContact CD2-CB 4.2Å; L189-R197 PolarHBondContact N-O 2.72Å; L189-R197 PolarHBondContact O-N 3.02Å; R197-Y199 VanDerWaalsContact CD-CZ 3.48Å; R197-Y199 HydrophobicContact CG-CD1 3.71Å; R197-Y199 HydrophobicContact CG-CE1 3.37Å; R197-Y199 HydrophobicContact CG-CE2 4.5Å; R197-Y199 HydrophobicContact CG-CG 4.41Å; R197-Y199 PolarHBondContact NE-OH 2.82Å; R197-M219 WeakPolarHBondContact CA-O 3.18Å; R197-E220 HydrophobicContact CB-CG 4.06Å; R197-E220 HydrophobicContact CG-CG 4.05Å; R197-E220 IonicContact CZ-OE1 3.02Å; R197-E220 IonicContact NE-OE1 2.78Å; R197-E220 PolarHBondContact NE-OE1 3.36Å; R197-E220 IonicContact NH2-OE1 3.7Å; R197-E220 PolarHBondContact NH2-OE1 3.35Å
198V98Very high95Very high0 Ų026.1 Ų26.10%014%0.14CC..EExtended strand (participates in β ladder)trans-133.4109.5178.6178.60000109.3R186 F187 F188 I196 M219 A236 D237R186-V198 HydrophobicContact CG-CG1 4.15Å; F187-V198 CarbonylContact O-C 3.58Å; F187-V198 WeakPolarHBondContact O-CA 3.05Å; F188-V198 HydrophobicContact CD2-CG2 4.38Å; I196-V198 HydrophobicContact CG2-CG2 4.09Å; V198-M219 PolarHBondContact N-O 2.92Å; V198-M219 PolarHBondContact O-N 3.02Å; V198-A236 HydrophobicContact CG2-CB 3.59Å; V198-D237 HydrophobicContact CG1-CB 4.31Å
199Y98.2Very high94.8Very high29 Ų2927.6 Ų27.611%0.11415%0.148CC..EExtended strand (participates in β ladder)trans-109108.5174-63.3-4.8000109.5T118 F187 R197 R218 E220T118-Y199 HydrophobicContact CG2-CD2 3.91Å; T118-Y199 HydrophobicContact CG2-CE2 3.38Å; F187-Y199 HydrophobicContact CD1-CD2 4.48Å; F187-Y199 PolarHBondContact N-O 3.38Å; F187-Y199 PolarHBondContact O-N 2.84Å; R197-Y199 VanDerWaalsContact CD-CZ 3.48Å; R197-Y199 HydrophobicContact CG-CD1 3.71Å; R197-Y199 HydrophobicContact CG-CE1 3.37Å; R197-Y199 HydrophobicContact CG-CE2 4.5Å; R197-Y199 HydrophobicContact CG-CG 4.41Å; R197-Y199 PolarHBondContact NE-OH 2.82Å; Y199-R218 HydrophobicContact CD1-CB 3.44Å; Y199-R218 VanDerWaalsContact CD1-CB 3.44Å; Y199-R218 HydrophobicContact CD1-CG 3.66Å; Y199-R218 HydrophobicContact CD2-CG 4.14Å; Y199-R218 HydrophobicContact CE1-CB 3.62Å; Y199-R218 HydrophobicContact CE1-CG 4.1Å; Y199-R218 HydrophobicContact CG-CB 4.03Å; Y199-R218 HydrophobicContact CG-CG 3.68Å; Y199-E220 HydrophobicContact CE1-CG 4.46Å; Y199-E220 PolarHBondContact OH-OE1 2.8Å
200D98.3Very high94.6Very high1 Ų131.8 Ų31.81%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-103.4132.2-178.5-70.5-28.4000110.8L184 Q185 R186 R202 I216 R217L184-D200 HydrophobicContact CD1-CB 3.92Å; Q185-D200 CarbonylContact O-C 3.48Å; Q185-D200 WeakPolarHBondContact O-CA 3.38Å; R186-D200 VanDerWaalsContact CB-OD1 3.26Å; R186-D200 WeakPolarHBondContact CB-OD1 3.26Å; R186-D200 VanDerWaalsContact CG-OD1 3.26Å; R186-D200 WeakPolarHBondContact CG-OD1 3.37Å; R186-D200 IonicContact CZ-OD1 3.02Å; R186-D200 IonicContact CZ-OD2 3.9Å; R186-D200 IonicContact NE-OD1 3.38Å; R186-D200 PolarHBondContact NE-OD1 3.39Å; R186-D200 IonicContact NE-OD2 2.82Å; R186-D200 IonicContact NH2-OD1 2.72Å; R186-D200 IonicContact NH2-OD2 3.04Å; R186-D200 PolarHBondContact NH2-OD2 3.46Å; D200-R202 IonicContact OD2-CZ 3.63Å; D200-R202 IonicContact OD2-NH2 2.83Å; D200-R202 PolarHBondContact OD2-NH2 3.16Å; D200-I216 WeakPolarHBondContact O-CA 3.45Å; D200-R217 PolarHBondContact N-O 3.16Å; D200-R217 PolarHBondContact O-N 3.45Å
201T98.5Very high94.7Very high4 Ų431.5 Ų31.53%0.02518%0.177CC..EExtended strand (participates in β ladder)trans-113.9120.2160.8-63.30000108.2Y121 Q185 R214Y121-T201 PolarHBondContact O-OG1 3.28Å; Q185-T201 PolarHBondContact N-O 2.98Å; Q185-T201 PolarHBondContact O-N 2.88Å; T201-R214 HydrophobicContact CG2-CG 4.09Å
202R98.5Very high94.9Very high32 Ų3231.5 Ų31.512%0.12118%0.177CC..EExtended strand (participates in β ladder)trans-113.2134.5179.6-62.5172.9-172.484.16.2109.9L138 F182 L183 L184 D200 R214 D215L138-R202 HydrophobicContact CD1-CB 3.87Å; L138-R202 HydrophobicContact CD1-CG 4.25Å; L138-R202 HydrophobicContact CD2-CB 4.46Å; F182-R202 HydrophobicContact CE2-CB 3.95Å; F182-R202 HydrophobicContact CE2-CG 4.3Å; F182-R202 HydrophobicContact CZ-CB 4.06Å; F182-R202 HydrophobicContact CZ-CG 3.92Å; L183-R202 CarbonylContact O-C 3.57Å; L183-R202 WeakPolarHBondContact O-CA 3.45Å; L184-R202 HydrophobicContact CD1-CG 3.78Å; D200-R202 IonicContact OD2-CZ 3.63Å; D200-R202 IonicContact OD2-NH2 2.83Å; D200-R202 PolarHBondContact OD2-NH2 3.16Å; R202-R214 CarbonylContact O-C 3.49Å; R202-R214 WeakPolarHBondContact O-CA 3.49Å; R202-D215 HydrophobicContact CB-CB 4.23Å; R202-D215 IonicContact CZ-OD1 3.4Å; R202-D215 PolarHBondContact N-O 3.16Å; R202-D215 IonicContact NH1-OD1 3.63Å; R202-D215 PolarHBondContact NH1-OD1 2.89Å; R202-D215 PolarHBondContact O-N 3.08Å
203L98.4Very high95.4Very high0 Ų029.1 Ų29.10%016%0.164CC..EExtended strand (participates in β ladder)trans-113.7136.2168.4-54.2175.1000109.7I57 I70 F72 F182 L183 I213 R214I57-L203 HydrophobicContact CD1-CD1 3.84Å; I70-L203 HydrophobicContact CD1-CD1 3.93Å; I70-L203 HydrophobicContact CD1-CD2 4.38Å; I70-L203 HydrophobicContact CG2-CD1 4.11Å; F72-L203 HydrophobicContact CE2-CD1 3.84Å; F72-L203 HydrophobicContact CZ-CD1 3.74Å; F72-L203 HydrophobicContact CZ-CG 4.39Å; F182-L203 CarbonylContact C-O 3.51Å; F182-L203 VanDerWaalsContact CA-O 3.3Å; F182-L203 WeakPolarHBondContact CA-O 3.01Å; F182-L203 VanDerWaalsContact CD2-O 3.26Å; F182-L203 WeakPolarHBondContact CD2-O 3.46Å; L183-L203 HydrophobicContact CB-CB 3.95Å; L183-L203 HydrophobicContact CB-CD1 4.39Å; L183-L203 HydrophobicContact CB-CG 4.33Å; L183-L203 HydrophobicContact CD1-CD1 4.31Å; L183-L203 HydrophobicContact CD2-CD1 4.41Å; L183-L203 HydrophobicContact CD2-CG 4.32Å; L183-L203 PolarHBondContact N-O 3.2Å; L183-L203 PolarHBondContact O-N 3.19Å; L203-I213 CarbonylContact C-O 3.57Å; L203-I213 VanDerWaalsContact CA-O 3.3Å; L203-I213 WeakPolarHBondContact CA-O 3.4Å; L203-R214 HydrophobicContact CD2-CB 3.61Å; L203-R214 HydrophobicContact CD2-CG 3.53Å
204Q98.3Very high96Very high1 Ų127.6 Ų27.61%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-128.5133.9170.1179.6-17992.400109.5L138 D139 L143 F182 R206 I213L138-Q204 HydrophobicContact CD2-CB 3.63Å; D139-Q204 VanDerWaalsContact CB-OE1 3.25Å; D139-Q204 PolarHBondContact O-NE2 3.48Å; L143-Q204 VanDerWaalsContact CG-NE2 3.28Å; F182-Q204 HydrophobicContact CD2-CB 4.29Å; Q204-R206 HydrophobicContact CG-CG 4.34Å; Q204-I213 PolarHBondContact N-O 3.16Å; Q204-I213 PolarHBondContact O-N 3.03Å
205W97.9Very high96.5Very high10 Ų1027.4 Ų27.44%0.03814%0.138CC..EExtended strand (participates in β ladder)trans-129.1135.1166-178.471.8000108.7L13 D14 W16 G180 F181 Q207 D209 L212L13-W205 HydrophobicContact CD2-CE3 3.98Å; L13-W205 HydrophobicContact CD2-CZ3 3.55Å; L13-W205 HydrophobicContact CG-CZ3 3.81Å; D14-W205 HydrophobicContact CB-CH2 3.96Å; D14-W205 WeakPolarHBondContact OD2-CH2 3.43Å; W16-W205 AromaticContact CD1-CD2 3.68Å; W16-W205 AromaticContact CD1-CE2 3.55Å; W16-W205 AromaticContact CD1-CE3 3.95Å; W16-W205 AromaticContact CD1-CH2 3.98Å; W16-W205 AromaticContact CD1-CZ2 3.71Å; W16-W205 AromaticContact CE2-CD1 3.92Å; W16-W205 AromaticContact CE2-NE1 3.92Å; W16-W205 AromaticContact CZ2-CD1 4Å; W16-W205 AromaticContact NE1-CD1 3.5Å; W16-W205 AromaticContact NE1-CD2 3.43Å; W16-W205 AromaticContact NE1-CE2 3.08Å; W16-W205 AromaticContact NE1-CG 3.7Å; W16-W205 AromaticContact NE1-CZ2 3.58Å; W16-W205 AromaticContact NE1-NE1 3.12Å; W16-W205 VanDerWaalsContact NE1-NE1 3.12Å; G180-W205 CarbonylContact C-O 3.57Å; G180-W205 WeakPolarHBondContact CA-O 3.41Å; F181-W205 HydrophobicContact CD1-CB 3.96Å; F181-W205 HydrophobicContact CD1-CD2 4.27Å; F181-W205 AromaticContact CD1-CE3 3.66Å; F181-W205 HydrophobicContact CD1-CE3 3.66Å; F181-W205 HydrophobicContact CD1-CG 4.42Å; F181-W205 HydrophobicContact CD2-CB 4.03Å; F181-W205 HydrophobicContact CE1-CB 3.52Å; F181-W205 AromaticContact CE1-CD2 3.89Å; F181-W205 HydrophobicContact CE1-CD2 3.89Å; F181-W205 AromaticContact CE1-CE3 3.71Å; F181-W205 HydrophobicContact CE1-CE3 3.71Å; F181-W205 AromaticContact CE1-CG 3.82Å; F181-W205 HydrophobicContact CE1-CG 3.82Å; F181-W205 HydrophobicContact CE2-CB 3.61Å; F181-W205 HydrophobicContact CG-CB 4.2Å; F181-W205 HydrophobicContact CZ-CB 3.35Å; F181-W205 AromaticContact CZ-CG 3.97Å; F181-W205 HydrophobicContact CZ-CG 3.97Å; F181-W205 PolarHBondContact N-O 2.82Å; F181-W205 PolarHBondContact O-N 2.86Å; F181-W205 VanDerWaalsContact O-N 3.09Å; W205-Q207 HydrophobicContact CH2-CB 4.46Å; W205-D209 PolarHBondContact NE1-O 2.75Å; W205-L212 HydrophobicContact CB-CD2 3.54Å; W205-L212 HydrophobicContact CG-CD2 3.94Å
206R96.4Very high96.8Very high47 Ų4726.4 Ų26.418%0.17713%0.133CC..EExtended strand (participates in β ladder)trans-114149.6173.7-58.6169.7-63.7-162.3-7.9108.8E136 D139 Y142 Q204 N208 D209E136-R206 IonicContact OE1-NH2 3.95Å; E136-R206 PolarHBondContact OE1-NH2 2.75Å; D139-R206 IonicContact OD2-CZ 3.96Å; D139-R206 IonicContact OD2-NH1 2.94Å; D139-R206 PolarHBondContact OD2-NH1 3.41Å; Y142-R206 HydrophobicContact CD1-CG 4.09Å; Y142-R206 HydrophobicContact CD2-CG 4.23Å; Y142-R206 HydrophobicContact CE1-CG 4.19Å; Y142-R206 HydrophobicContact CE2-CG 4.33Å; Y142-R206 HydrophobicContact CG-CG 4.14Å; Q204-R206 HydrophobicContact CG-CG 4.34Å; R206-N208 PolarHBondContact O-N 2.91Å; R206-D209 WeakPolarHBondContact CB-OD2 3.46Å; R206-D209 IonicContact CZ-OD2 3.69Å; R206-D209 IonicContact NE-OD1 3.56Å; R206-D209 IonicContact NE-OD2 2.64Å; R206-D209 PolarHBondContact NE-OD2 2.97Å; R206-D209 IonicContact NH2-OD1 2.95Å; R206-D209 IonicContact NH2-OD2 3.33Å; R206-D209 PolarHBondContact NH2-OD2 3.35Å; R206-D209 WeakPolarHBondContact O-CB 3.07Å; R206-D209 PolarHBondContact O-N 3.35Å
207Q94Very high96.9Very high86 Ų8630.3 Ų30.340%0.40215%0.147SC..THydrogen-bonded Turntrans-53.9134173.6-174.4171.847.800109.8S179 W205 D209S179-Q207 WeakPolarHBondContact O-CB 3.1Å; S179-Q207 PolarHBondContact O-N 3.27Å; W205-Q207 HydrophobicContact CH2-CB 4.46Å; Q207-D209 VanDerWaalsContact C-N 3.3Å
208N91.2Very high97Very high151 Ų15131.9 Ų31.981%0.80715%0.153SC*.THydrogen-bonded Turntrans77-6.3-173.5-41.7-64000116.3R206R206-N208 PolarHBondContact O-N 2.91Å
209D94.8Very high97Very high35 Ų3532 Ų3219%0.18715%0.154CC..  trans-74.3132.7170.5-72.2-11000109.7W205 R206 Q207 Y211W205-D209 PolarHBondContact NE1-O 2.75Å; R206-D209 WeakPolarHBondContact CB-OD2 3.46Å; R206-D209 IonicContact CZ-OD2 3.69Å; R206-D209 IonicContact NE-OD1 3.56Å; R206-D209 IonicContact NE-OD2 2.64Å; R206-D209 PolarHBondContact NE-OD2 2.97Å; R206-D209 IonicContact NH2-OD1 2.95Å; R206-D209 IonicContact NH2-OD2 3.33Å; R206-D209 PolarHBondContact NH2-OD2 3.35Å; R206-D209 WeakPolarHBondContact O-CB 3.07Å; R206-D209 PolarHBondContact O-N 3.35Å; Q207-D209 VanDerWaalsContact C-N 3.3Å; D209-Y211 PolarHBondContact O-N 2.94Å
210S92.8Very high96.8Very high87 Ų8732.8 Ų32.861%0.60816%0.159SC*.SBendtrans-84.97.2174.259.20000113.4P253S210-P253 WeakPolarHBondContact O-CD 3.23Å
211Y95.5Very high96.7Very high36 Ų3633 Ų3314%0.14116%0.16CC..SBendtrans-146.8159.8-173.956.4-96.4000111.9E136 D209 I213 K250 L251E136-Y211 VanDerWaalsContact CD-OH 3.29Å; E136-Y211 PolarHBondContact OE1-OH 3.36Å; E136-Y211 PolarHBondContact OE2-OH 3.49Å; D209-Y211 PolarHBondContact O-N 2.94Å; Y211-I213 HydrophobicContact CD2-CD1 4.07Å; Y211-I213 HydrophobicContact CD2-CG1 4.23Å; Y211-I213 HydrophobicContact CE2-CD1 3.69Å; Y211-I213 HydrophobicContact CE2-CG1 3.9Å; Y211-K250 HydrophobicContact CD1-CD 4.26Å; Y211-K250 HydrophobicContact CD2-CB 4.34Å; Y211-K250 HydrophobicContact CD2-CD 3.9Å; Y211-K250 HydrophobicContact CD2-CG 3.8Å; Y211-K250 HydrophobicContact CE1-CD 4.22Å; Y211-K250 HydrophobicContact CE2-CD 3.87Å; Y211-K250 HydrophobicContact CE2-CG 4.05Å; Y211-K250 HydrophobicContact CG-CB 4.47Å; Y211-K250 HydrophobicContact CG-CD 4.11Å; Y211-K250 HydrophobicContact CG-CG 4.27Å; Y211-K250 VanDerWaalsContact CZ-NZ 3.25Å; Y211-K250 PolarHBondContact OH-NZ 2.84Å; Y211-L251 CarbonylContact C-O 3.57Å; Y211-L251 VanDerWaalsContact CA-O 3.31Å; Y211-L251 WeakPolarHBondContact CA-O 3.45Å
212L97Very high96.2Very high0 Ų037.2 Ų37.20%019%0.189CC..EExtended strand (participates in β ladder)trans-93139.9164.6-51174000109.2W16 W129 F181 W205 K250 L251W16-L212 HydrophobicContact CH2-CD1 3.79Å; W16-L212 HydrophobicContact CH2-CD2 3.62Å; W16-L212 HydrophobicContact CH2-CG 3.65Å; W16-L212 HydrophobicContact CZ2-CD2 3.61Å; W16-L212 HydrophobicContact CZ2-CG 4.02Å; W16-L212 HydrophobicContact CZ3-CD1 4.07Å; W16-L212 HydrophobicContact CZ3-CD2 4.22Å; W16-L212 HydrophobicContact CZ3-CG 4.37Å; W129-L212 HydrophobicContact CH2-CD1 3.93Å; W129-L212 HydrophobicContact CZ3-CD1 4.15Å; F181-L212 HydrophobicContact CE2-CD2 3.92Å; F181-L212 HydrophobicContact CZ-CD2 3.51Å; W205-L212 HydrophobicContact CB-CD2 3.54Å; W205-L212 HydrophobicContact CG-CD2 3.94Å; L212-K250 WeakPolarHBondContact O-CA 3.48Å; L212-L251 HydrophobicContact CB-CB 4.2Å; L212-L251 PolarHBondContact N-O 3.18Å; L212-L251 PolarHBondContact O-N 2.95Å
213I98.2Very high95.7Very high0 Ų038.6 Ų38.60%020%0.204CC..EExtended strand (participates in β ladder)trans-86.2125.1159.8-65.9-67.1000107.8T134 E136 L138 L203 Q204 Y211 T248 K250T134-I213 HydrophobicContact CG2-CD1 4.08Å; E136-I213 HydrophobicContact CB-CD1 4.18Å; E136-I213 HydrophobicContact CG-CD1 3.99Å; L138-I213 HydrophobicContact CD2-CG2 3.88Å; L203-I213 CarbonylContact C-O 3.57Å; L203-I213 VanDerWaalsContact CA-O 3.3Å; L203-I213 WeakPolarHBondContact CA-O 3.4Å; Q204-I213 PolarHBondContact N-O 3.16Å; Q204-I213 PolarHBondContact O-N 3.03Å; Y211-I213 HydrophobicContact CD2-CD1 4.07Å; Y211-I213 HydrophobicContact CD2-CG1 4.23Å; Y211-I213 HydrophobicContact CE2-CD1 3.69Å; Y211-I213 HydrophobicContact CE2-CG1 3.9Å; I213-T248 HydrophobicContact CG2-CG2 3.49Å; I213-T248 VanDerWaalsContact CG2-CG2 3.49Å; I213-K250 HydrophobicContact CD1-CG 3.75Å
214R98.5Very high95.3Very high16 Ų1642.1 Ų42.16%0.0622%0.218CC..EExtended strand (participates in β ladder)trans-109.9113.6169.4-174.2169.369.1175.50.7109.3T122 T201 R202 L203 I216 T248 E249 L251T122-R214 PolarHBondContact O-NH1 2.61Å; T122-R214 PolarHBondContact OG1-NH1 2.88Å; T201-R214 HydrophobicContact CG2-CG 4.09Å; R202-R214 CarbonylContact O-C 3.49Å; R202-R214 WeakPolarHBondContact O-CA 3.49Å; L203-R214 HydrophobicContact CD2-CB 3.61Å; L203-R214 HydrophobicContact CD2-CG 3.53Å; R214-I216 HydrophobicContact CB-CD1 4.47Å; R214-I216 HydrophobicContact CG-CD1 3.69Å; R214-I216 HydrophobicContact CG-CG1 4.37Å; R214-T248 CarbonylContact O-C 3.56Å; R214-T248 WeakPolarHBondContact O-CA 3.19Å; R214-T248 WeakPolarHBondContact O-CG2 3.42Å; R214-E249 IonicContact CZ-OE2 2.79Å; R214-E249 VanDerWaalsContact CZ-OE2 3.26Å; R214-E249 PolarHBondContact N-O 3.29Å; R214-E249 IonicContact NE-OE2 3.36Å; R214-E249 PolarHBondContact NE-OE2 3.48Å; R214-E249 IonicContact NH2-OE2 3.59Å; R214-E249 PolarHBondContact NH2-OE2 3.42Å; R214-E249 PolarHBondContact O-N 2.93Å; R214-L251 HydrophobicContact CB-CD1 3.53Å
215D98.5Very high94.9Very high11 Ų1145.5 Ų45.56%0.05923%0.232CC..EExtended strand (participates in β ladder)trans-106.7119.5177.1171.7-92.5000109.3L138 R202 H246 T248L138-D215 HydrophobicContact CD1-CB 3.89Å; L138-D215 HydrophobicContact CD2-CB 4.05Å; L138-D215 HydrophobicContact CG-CB 3.78Å; R202-D215 HydrophobicContact CB-CB 4.23Å; R202-D215 IonicContact CZ-OD1 3.4Å; R202-D215 PolarHBondContact N-O 3.16Å; R202-D215 IonicContact NH1-OD1 3.63Å; R202-D215 PolarHBondContact NH1-OD1 2.89Å; R202-D215 PolarHBondContact O-N 3.08Å; D215-H246 IonicContact OD2-CD2 3.53Å; D215-H246 IonicContact OD2-CE1 2.81Å; D215-H246 IonicContact OD2-NE2 3.22Å; D215-H246 PolarHBondContact OD2-NE2 3.31Å; D215-T248 HydrophobicContact CB-CG2 4.33Å; D215-T248 PolarHBondContact OD2-OG1 3.06Å
216I98.5Very high94.4Very high1 Ų153 Ų531%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-111.5120.4-179.8-57.483.1000107.4T122 D200 R214 R218 H246 Y247T122-I216 HydrophobicContact CG2-CG1 3.89Å; T122-I216 HydrophobicContact CG2-CG2 4.35Å; D200-I216 WeakPolarHBondContact O-CA 3.45Å; R214-I216 HydrophobicContact CB-CD1 4.47Å; R214-I216 HydrophobicContact CG-CD1 3.69Å; R214-I216 HydrophobicContact CG-CG1 4.37Å; I216-R218 HydrophobicContact CG2-CG 4.48Å; I216-H246 VanDerWaalsContact O-CA 3.32Å; I216-H246 WeakPolarHBondContact O-CA 3.3Å; I216-H246 PolarHBondContact O-CD2 3.36Å; I216-H246 VanDerWaalsContact O-CD2 3.28Å; I216-Y247 HydrophobicContact CB-CD1 4.31Å; I216-Y247 HydrophobicContact CB-CE1 3.87Å; I216-Y247 HydrophobicContact CB-CE2 4.4Å; I216-Y247 HydrophobicContact CD1-CD2 3.96Å; I216-Y247 HydrophobicContact CD1-CE1 4.45Å; I216-Y247 HydrophobicContact CD1-CE2 3.46Å; I216-Y247 VanDerWaalsContact CD1-CE2 3.46Å; I216-Y247 HydrophobicContact CG1-CE1 4.33Å; I216-Y247 HydrophobicContact CG1-CE2 4.12Å; I216-Y247 HydrophobicContact CG2-CE1 3.99Å; I216-Y247 PolarHBondContact N-O 3.22Å; I216-Y247 PolarHBondContact O-N 3.28Å; I216-Y247 VanDerWaalsContact O-N 3.14Å
217R97.8Very high94Very high81 Ų8155.3 Ų55.331%0.30628%0.283SS..EExtended strand (participates in β ladder)trans-134.3119.1178.9-166.9175.9-177.7-134.9-3.7110.3D200 M219 H246D200-R217 PolarHBondContact N-O 3.16Å; D200-R217 PolarHBondContact O-N 3.45Å; R217-M219 HydrophobicContact CG-CG 4.07Å; R217-M219 HydrophobicContact CG-SD 4.26Å; R217-M219 PolarHBondContact NE-SD 2.98Å; R217-M219 PolarHBondContact NH1-SD 2.87Å; R217-M219 PolarHBondContact NH2-SD 3.03Å; R217-H246 HydrophobicContact CG-CB 4.36Å
218R97.9Very high93.8Very high42 Ų4251.2 Ų51.216%0.15826%0.264CS..EExtended strand (participates in β ladder)trans-113.3123.8-179.7-62.9-172.4-176.9144.811.7109.4P120 Y199 I216 V244 E245P120-R218 VanDerWaalsContact CB-NH2 3.25Å; P120-R218 PolarHBondContact O-NH2 3.23Å; P120-R218 VanDerWaalsContact O-NH2 3.13Å; Y199-R218 HydrophobicContact CD1-CB 3.44Å; Y199-R218 VanDerWaalsContact CD1-CB 3.44Å; Y199-R218 HydrophobicContact CD1-CG 3.66Å; Y199-R218 HydrophobicContact CD2-CG 4.14Å; Y199-R218 HydrophobicContact CE1-CB 3.62Å; Y199-R218 HydrophobicContact CE1-CG 4.1Å; Y199-R218 HydrophobicContact CG-CB 4.03Å; Y199-R218 HydrophobicContact CG-CG 3.68Å; I216-R218 HydrophobicContact CG2-CG 4.48Å; R218-V244 HydrophobicContact CB-CB 4.3Å; R218-V244 PolarHBondContact O-N 3.44Å; R218-E245 HydrophobicContact CB-CB 4.16Å; R218-E245 HydrophobicContact CG-CB 4.42Å; R218-E245 IonicContact CZ-OE2 3.2Å; R218-E245 PolarHBondContact N-O 3.07Å; R218-E245 IonicContact NE-OE2 3.28Å; R218-E245 PolarHBondContact NE-OE2 3.48Å; R218-E245 IonicContact NH1-OE2 2.71Å; R218-E245 PolarHBondContact NH1-OE2 3.44Å; R218-E245 IonicContact NH2-OE2 2.8Å; R218-E245 PolarHBondContact O-N 3.36Å
219M97.2Very high93.6Very high3 Ų349.7 Ų49.72%0.01526%0.255CS..EExtended strand (participates in β ladder)trans-136.7152.7-175.4-53.3-175.1-66.500111.5R197 V198 R217 D237 C240 A242 V243R197-M219 WeakPolarHBondContact CA-O 3.18Å; V198-M219 PolarHBondContact N-O 2.92Å; V198-M219 PolarHBondContact O-N 3.02Å; R217-M219 HydrophobicContact CG-CG 4.07Å; R217-M219 HydrophobicContact CG-SD 4.26Å; R217-M219 PolarHBondContact NE-SD 2.98Å; R217-M219 PolarHBondContact NH1-SD 2.87Å; R217-M219 PolarHBondContact NH2-SD 3.03Å; M219-D237 HydrophobicContact CE-CB 3.55Å; M219-C240 HydrophobicContact CB-CB 3.57Å; M219-C240 HydrophobicContact CE-CB 4.48Å; M219-A242 CarbonylContact C-O 3.49Å; M219-A242 WeakPolarHBondContact CA-O 3.31Å; M219-A242 WeakPolarHBondContact CB-O 3.24Å; M219-V243 HydrophobicContact CG-CG2 4.19Å; M219-V243 HydrophobicContact SD-CG2 4.33Å
220E95.7Very high93.2Very high45 Ų4550.9 Ų50.921%0.2128%0.275CS..EExtended strand (participates in β ladder)trans-139.6158.9177.7-62.2-175.7166.500110.1V195 I196 R197 Y199 C240 D241 A242 V244V195-E220 HydrophobicContact CG2-CB 4.45Å; I196-E220 CarbonylContact O-C 3.5Å; I196-E220 VanDerWaalsContact O-CA 3.26Å; I196-E220 WeakPolarHBondContact O-CA 3.5Å; R197-E220 HydrophobicContact CB-CG 4.06Å; R197-E220 HydrophobicContact CG-CG 4.05Å; R197-E220 IonicContact CZ-OE1 3.02Å; R197-E220 IonicContact NE-OE1 2.78Å; R197-E220 PolarHBondContact NE-OE1 3.36Å; R197-E220 IonicContact NH2-OE1 3.7Å; R197-E220 PolarHBondContact NH2-OE1 3.35Å; Y199-E220 HydrophobicContact CE1-CG 4.46Å; Y199-E220 PolarHBondContact OH-OE1 2.8Å; E220-C240 WeakPolarHBondContact O-CA 3.3Å; E220-C240 WeakPolarHBondContact O-CB 3.49Å; E220-D241 PolarHBondContact O-N 3.06Å; E220-A242 PolarHBondContact N-O 3.36Å; E220-A242 PolarHBondContact O-N 3.04Å; E220-V244 HydrophobicContact CB-CG2 4.31Å; E220-V244 HydrophobicContact CG-CG2 3.77Å
221S94.6Very high93.2Very high6 Ų647.4 Ų47.44%0.04225%0.25CC..  trans-84129.2164.3640000110.2V195 I196 S223V195-S221 WeakPolarHBondContact CG2-O 3.04Å; V195-S221 WeakPolarHBondContact CG2-OG 3.09Å; I196-S221 PolarHBondContact N-OG 3.33Å; I196-S221 PolarHBondContact O-N 2.97Å; S221-S223 VanDerWaalsContact C-N 3.26Å; S221-S223 PolarHBondContact O-N 2.95Å
222S89Confident93Very high91 Ų9147.9 Ų47.964%0.63626%0.259SS*.SBendtrans-68.3-23.2175.856.10000114D241S222-D241 VanDerWaalsContact CB-OD1 3.28Å; S222-D241 WeakPolarHBondContact CB-OD1 3.27Å; S222-D241 PolarHBondContact N-OD1 3.07Å; S222-D241 VanDerWaalsContact OG-CG 3.23Å; S222-D241 PolarHBondContact OG-OD1 3.45Å; S222-D241 PolarHBondContact OG-OD2 3.18Å
223S88.7Confident92.8Very high62 Ų6249.3 Ų49.343%0.43427%0.266SS..SBendtrans-151.6149.8179.165.20000111.6S221 M228S221-S223 VanDerWaalsContact C-N 3.26Å; S221-S223 PolarHBondContact O-N 2.95Å; S223-M228 WeakPolarHBondContact O-CE 3.39Å
224W89.2Confident92.5Very high74 Ų7453.5 Ų53.528%0.2829%0.286SS..  trans-61.3140.7170.2-175.1-108.8000112.1R190 I191 G193 G194 M228 I229R190-W224 HydrophobicContact CG-CZ3 4.37Å; I191-W224 WeakPolarHBondContact O-CZ3 3.05Å; G193-W224 VanDerWaalsContact CA-CD2 3.45Å; G193-W224 VanDerWaalsContact CA-CE2 3.49Å; G193-W224 VanDerWaalsContact N-CZ2 3.27Å; G194-W224 WeakPolarHBondContact O-CB 3.32Å; W224-M228 HydrophobicContact CD2-CB 4.35Å; W224-M228 HydrophobicContact CD2-SD 4.17Å; W224-M228 HydrophobicContact CE3-CB 3.91Å; W224-M228 HydrophobicContact CE3-CG 4.34Å; W224-M228 HydrophobicContact CE3-SD 3.6Å; W224-M228 HydrophobicContact CH2-CB 3.6Å; W224-M228 HydrophobicContact CZ2-CB 4.05Å; W224-M228 HydrophobicContact CZ3-CB 3.52Å; W224-M228 HydrophobicContact CZ3-CG 4.36Å; W224-M228 HydrophobicContact CZ3-SD 4.05Å; W224-I229 HydrophobicContact CZ2-CG1 3.75Å
225K89Confident92.3Very high71 Ų7156.4 Ų56.431%0.30930%0.301SS..  trans-134.9150.8175.4-60.1172.2-169.4159.20109.1D227 M228 D241K225-D227 VanDerWaalsContact C-N 3.26Å; K225-D227 WeakPolarHBondContact CB-OD1 3.41Å; K225-D227 PolarHBondContact O-N 2.93Å; K225-M228 HydrophobicContact CB-CE 3.95Å; K225-M228 HydrophobicContact CB-CG 4.07Å; K225-M228 HydrophobicContact CB-SD 4.26Å; K225-M228 HydrophobicContact CD-CE 3.97Å; K225-M228 HydrophobicContact CG-CE 3.93Å; K225-M228 PolarHBondContact N-SD 3.12Å; K225-M228 WeakPolarHBondContact O-CB 3.25Å; K225-M228 VanDerWaalsContact O-CG 3.26Å; K225-M228 WeakPolarHBondContact O-CG 3.27Å; K225-M228 PolarHBondContact O-N 3.3Å; K225-M228 VanDerWaalsContact O-N 3.08Å; K225-D241 IonicContact NZ-OD2 2.78Å; K225-D241 PolarHBondContact NZ-OD2 3.24Å
226E87.3Confident91.9Very high169 Ų16955.9 Ų55.979%0.7930%0.299SS*.G310 helixtrans-63.7-30.6-176.7-67.4-178.7176.300113.2M228 I229E226-M228 PolarHBondContact O-N 2.87Å; E226-I229 WeakPolarHBondContact O-CB 3.47Å; E226-I229 WeakPolarHBondContact O-CG1 3.12Å; E226-I229 PolarHBondContact O-N 2.78Å
227D88.3Confident91.6Very high94 Ų9458 Ų5850%0.50331%0.31SS..G310 helixtrans-68.4-8.8175.660.4-8.2000113.7K225 I229 L239K225-D227 VanDerWaalsContact C-N 3.26Å; K225-D227 WeakPolarHBondContact CB-OD1 3.41Å; K225-D227 PolarHBondContact O-N 2.93Å; D227-I229 VanDerWaalsContact C-N 3.3Å; D227-L239 HydrophobicContact CB-CD1 4.39Å; D227-L239 WeakPolarHBondContact OD2-CD2 3.43Å
228M90Very high91.3Very high0 Ų060.9 Ų60.90%033%0.327CS..G310 helixtrans-75.9-18.4172.6-58.2-174.7170.700112.6R190 I196 S223 W224 K225 E226 G230 I231 L239R190-M228 WeakPolarHBondContact CD-O 3.31Å; I196-M228 HydrophobicContact CD1-CB 3.7Å; I196-M228 HydrophobicContact CD1-CE 4.17Å; I196-M228 HydrophobicContact CD1-CG 3.44Å; I196-M228 VanDerWaalsContact CD1-CG 3.44Å; I196-M228 HydrophobicContact CD1-SD 3.81Å; I196-M228 HydrophobicContact CG1-CB 4.26Å; I196-M228 HydrophobicContact CG1-CG 4.15Å; I196-M228 HydrophobicContact CG1-SD 3.96Å; S223-M228 WeakPolarHBondContact O-CE 3.39Å; W224-M228 HydrophobicContact CD2-CB 4.35Å; W224-M228 HydrophobicContact CD2-SD 4.17Å; W224-M228 HydrophobicContact CE3-CB 3.91Å; W224-M228 HydrophobicContact CE3-CG 4.34Å; W224-M228 HydrophobicContact CE3-SD 3.6Å; W224-M228 HydrophobicContact CH2-CB 3.6Å; W224-M228 HydrophobicContact CZ2-CB 4.05Å; W224-M228 HydrophobicContact CZ3-CB 3.52Å; W224-M228 HydrophobicContact CZ3-CG 4.36Å; W224-M228 HydrophobicContact CZ3-SD 4.05Å; K225-M228 HydrophobicContact CB-CE 3.95Å; K225-M228 HydrophobicContact CB-CG 4.07Å; K225-M228 HydrophobicContact CB-SD 4.26Å; K225-M228 HydrophobicContact CD-CE 3.97Å; K225-M228 HydrophobicContact CG-CE 3.93Å; K225-M228 PolarHBondContact N-SD 3.12Å; K225-M228 WeakPolarHBondContact O-CB 3.25Å; K225-M228 VanDerWaalsContact O-CG 3.26Å; K225-M228 WeakPolarHBondContact O-CG 3.27Å; K225-M228 PolarHBondContact O-N 3.3Å; K225-M228 VanDerWaalsContact O-N 3.08Å; E226-M228 PolarHBondContact O-N 2.87Å; M228-G230 PolarHBondContact O-N 3.16Å; M228-I231 VanDerWaalsContact O-CG2 3.26Å; M228-I231 WeakPolarHBondContact O-CG2 3.46Å; M228-I231 PolarHBondContact O-N 3.41Å; M228-L239 HydrophobicContact CB-CD1 4.32Å; M228-L239 HydrophobicContact CE-CB 4.17Å; M228-L239 HydrophobicContact CG-CD1 3.64Å
229I88.1Confident91Very high120 Ų12060.2 Ų60.262%0.61533%0.326SS*.THydrogen-bonded Turntrans-65122.5179-62.4170.4000109.4W224 E226 D227 I231W224-I229 HydrophobicContact CZ2-CG1 3.75Å; E226-I229 WeakPolarHBondContact O-CB 3.47Å; E226-I229 WeakPolarHBondContact O-CG1 3.12Å; E226-I229 PolarHBondContact O-N 2.78Å; D227-I229 VanDerWaalsContact C-N 3.3Å; I229-I231 PolarHBondContact O-N 3.08Å
230G86.1Confident90.8Very high59 Ų5960.9 Ų60.961%0.60833%0.331SS*.THydrogen-bonded Turntrans69.713.6177.800000114.6M228M228-G230 PolarHBondContact O-N 3.16Å
231I91.3Very high90.7Very high14 Ų1462.6 Ų62.67%0.07234%0.342CS..  trans-60139.8175.9-167.9156.2000111.3F188 R190 I196 M228 I229 I235 L239F188-I231 HydrophobicContact CE2-CG2 4.2Å; F188-I231 HydrophobicContact CZ-CG2 3.95Å; R190-I231 HydrophobicContact CG-CG2 4.32Å; I196-I231 HydrophobicContact CD1-CD1 4.12Å; I196-I231 HydrophobicContact CD1-CG2 3.73Å; I196-I231 HydrophobicContact CG1-CG2 4.37Å; M228-I231 VanDerWaalsContact O-CG2 3.26Å; M228-I231 WeakPolarHBondContact O-CG2 3.46Å; M228-I231 PolarHBondContact O-N 3.41Å; I229-I231 PolarHBondContact O-N 3.08Å; I231-I235 HydrophobicContact CD1-CD1 4.43Å; I231-I235 HydrophobicContact CD1-CG1 4.1Å; I231-I235 HydrophobicContact CG1-CD1 4.1Å; I231-I235 HydrophobicContact CG1-CG1 3.74Å; I231-L239 HydrophobicContact CD1-CB 4.26Å; I231-L239 HydrophobicContact CD1-CD1 3.28Å; I231-L239 HydrophobicContact CD1-CG 3.54Å
232S91.7Very high90.7Very high47 Ų4764.1 Ų64.133%0.32936%0.355SS..  trans-95159.8177.787.70000112.3E234 I235 A236S232-E234 VanDerWaalsContact CB-OE2 3.3Å; S232-E234 WeakPolarHBondContact CB-OE2 3.26Å; S232-E234 PolarHBondContact O-N 2.82Å; S232-E234 VanDerWaalsContact O-N 3.09Å; S232-E234 PolarHBondContact OG-N 3.18Å; S232-E234 PolarHBondContact OG-OE2 3.01Å; S232-I235 PolarHBondContact O-N 2.96Å; S232-A236 PolarHBondContact O-N 3.03Å; S232-A236 VanDerWaalsContact O-N 3.16Å
233L93.3Very high91Very high30 Ų3063.4 Ų63.416%0.15735%0.347CS..THydrogen-bonded Turntrans-57.2-25.8177.973.7151.5000113.6N171 R186 F188N171-L233 HydrophobicContact CB-CD1 3.85Å; R186-L233 VanDerWaalsContact CD-O 3.29Å; R186-L233 WeakPolarHBondContact CD-O 3.17Å; R186-L233 PolarHBondContact NH1-O 2.73Å; F188-L233 HydrophobicContact CB-CB 4.09Å; F188-L233 HydrophobicContact CD1-CB 3.78Å; F188-L233 HydrophobicContact CE1-CB 4.44Å; F188-L233 HydrophobicContact CG-CB 4.02Å
234E92.7Very high91.3Very high88 Ų8864.4 Ų64.441%0.41135%0.35SS..THydrogen-bonded Turntrans-68.2-33.8-177.3-7364.2-141.300113.2K173 S232K173-E234 IonicContact NZ-OE1 2.66Å; K173-E234 PolarHBondContact NZ-OE1 2.85Å; S232-E234 VanDerWaalsContact CB-OE2 3.3Å; S232-E234 WeakPolarHBondContact CB-OE2 3.26Å; S232-E234 PolarHBondContact O-N 2.82Å; S232-E234 VanDerWaalsContact O-N 3.09Å; S232-E234 PolarHBondContact OG-N 3.18Å; S232-E234 PolarHBondContact OG-OE2 3.01Å
235I92.9Very high91.6Very high76 Ų7664.1 Ų64.139%0.3935%0.352SS..THydrogen-bonded Turntrans-118.4-2.4-17161.9169.1000113I231 S232 D237 Q238I231-I235 HydrophobicContact CD1-CD1 4.43Å; I231-I235 HydrophobicContact CD1-CG1 4.1Å; I231-I235 HydrophobicContact CG1-CD1 4.1Å; I231-I235 HydrophobicContact CG1-CG1 3.74Å; S232-I235 PolarHBondContact O-N 2.96Å; I235-D237 PolarHBondContact O-N 3.37Å; I235-D237 VanDerWaalsContact O-N 3.11Å; I235-Q238 VanDerWaalsContact O-CB 3.3Å; I235-Q238 WeakPolarHBondContact O-CB 3.45Å; I235-Q238 WeakPolarHBondContact O-CG 3.3Å; I235-Q238 PolarHBondContact O-N 3.48Å
236A91.3Very high92.1Very high0 Ų065.7 Ų65.70%036%0.36CS..G310 helixtrans-52.4-35-177.200000114F188 I196 V198 S232 Q238 L239F188-A236 HydrophobicContact CD2-CB 3.45Å; F188-A236 VanDerWaalsContact CD2-CB 3.45Å; F188-A236 HydrophobicContact CE2-CB 3.42Å; F188-A236 VanDerWaalsContact CE2-CB 3.42Å; F188-A236 HydrophobicContact CG-CB 4.44Å; F188-A236 HydrophobicContact CZ-CB 4.39Å; I196-A236 HydrophobicContact CG2-CB 4.21Å; V198-A236 HydrophobicContact CG2-CB 3.59Å; S232-A236 PolarHBondContact O-N 3.03Å; S232-A236 VanDerWaalsContact O-N 3.16Å; A236-Q238 PolarHBondContact O-N 3.22Å; A236-L239 PolarHBondContact O-N 2.74Å
237D91.1Very high92.6Very high47 Ų4761.3 Ų61.325%0.25134%0.337SS..G310 helixtrans-65.1-19.5179.757.9-69.6000114.1R186 V198 M219 I235 L239R186-D237 IonicContact CZ-OD1 3.9Å; R186-D237 IonicContact NH1-OD1 2.71Å; R186-D237 PolarHBondContact NH1-OD1 3.5Å; R186-D237 VanDerWaalsContact NH2-CG 3.34Å; R186-D237 IonicContact NH2-OD1 2.96Å; R186-D237 PolarHBondContact NH2-OD1 3.01Å; R186-D237 IonicContact NH2-OD2 3.94Å; V198-D237 HydrophobicContact CG1-CB 4.31Å; M219-D237 HydrophobicContact CE-CB 3.55Å; I235-D237 PolarHBondContact O-N 3.37Å; I235-D237 VanDerWaalsContact O-N 3.11Å; D237-L239 VanDerWaalsContact C-N 3.27Å; D237-L239 PolarHBondContact O-N 2.87Å
238Q92.2Very high93Very high141 Ų14157.6 Ų57.666%0.65932%0.317SS*.G310 helixtrans-73.3-21.3178.4-58.7175.312.900112.5I235 A236I235-Q238 VanDerWaalsContact O-CB 3.3Å; I235-Q238 WeakPolarHBondContact O-CB 3.45Å; I235-Q238 WeakPolarHBondContact O-CG 3.3Å; I235-Q238 PolarHBondContact O-N 3.48Å; A236-Q238 PolarHBondContact O-N 3.22Å
239L91.6Very high93.4Very high27 Ų2759 Ų5914%0.14132%0.324CS..THydrogen-bonded Turntrans-98.9-8179.8-61.5-164.9000113.6I196 D227 M228 I231 A236 D237I196-L239 HydrophobicContact CD1-CB 3.9Å; I196-L239 HydrophobicContact CD1-CD1 3.9Å; I196-L239 HydrophobicContact CD1-CG 4.47Å; D227-L239 HydrophobicContact CB-CD1 4.39Å; D227-L239 WeakPolarHBondContact OD2-CD2 3.43Å; M228-L239 HydrophobicContact CB-CD1 4.32Å; M228-L239 HydrophobicContact CE-CB 4.17Å; M228-L239 HydrophobicContact CG-CD1 3.64Å; I231-L239 HydrophobicContact CD1-CB 4.26Å; I231-L239 HydrophobicContact CD1-CD1 3.28Å; I231-L239 HydrophobicContact CD1-CG 3.54Å; A236-L239 PolarHBondContact O-N 2.74Å; D237-L239 VanDerWaalsContact C-N 3.27Å; D237-L239 PolarHBondContact O-N 2.87Å
240C93.4Very high93.9Very high17 Ų1755.3 Ų55.312%0.11530%0.303CS..  trans-79.1122.7171.7-61.30000110.5M219 E220M219-C240 HydrophobicContact CB-CB 3.57Å; M219-C240 HydrophobicContact CE-CB 4.48Å; E220-C240 WeakPolarHBondContact O-CA 3.3Å; E220-C240 WeakPolarHBondContact O-CB 3.49Å
241D92.8Very high94.4Very high81 Ų8152.5 Ų52.543%0.43327%0.274SS..  trans-110.7-7.218048.825.2000113.6E220 S222 K225E220-D241 PolarHBondContact O-N 3.06Å; S222-D241 VanDerWaalsContact CB-OD1 3.28Å; S222-D241 WeakPolarHBondContact CB-OD1 3.27Å; S222-D241 PolarHBondContact N-OD1 3.07Å; S222-D241 VanDerWaalsContact OG-CG 3.23Å; S222-D241 PolarHBondContact OG-OD1 3.45Å; S222-D241 PolarHBondContact OG-OD2 3.18Å; K225-D241 IonicContact NZ-OD2 2.78Å; K225-D241 PolarHBondContact NZ-OD2 3.24Å
242A94.6Very high94.7Very high38 Ų3854 Ų5431%0.31428%0.284SS..EExtended strand (participates in β ladder)trans-113.5125174.900000111M219 E220M219-A242 CarbonylContact C-O 3.49Å; M219-A242 WeakPolarHBondContact CA-O 3.31Å; M219-A242 WeakPolarHBondContact CB-O 3.24Å; E220-A242 PolarHBondContact N-O 3.36Å; E220-A242 PolarHBondContact O-N 3.04Å
243V95.7Very high94.8Very high77 Ų7752.3 Ų52.347%0.46727%0.272SS..EExtended strand (participates in β ladder)trans-91113.3168.5-179.20000107.8M219 H246M219-V243 HydrophobicContact CG-CG2 4.19Å; M219-V243 HydrophobicContact SD-CG2 4.33Å; V243-H246 HydrophobicContact CG1-CB 3.93Å
244V94.7Very high94.7Very high83 Ų8355.6 Ų55.650%0.50329%0.287SS..EExtended strand (participates in β ladder)trans-78.3-41.5178.9179.80000110.4R218 E220R218-V244 HydrophobicContact CB-CB 4.3Å; R218-V244 PolarHBondContact O-N 3.44Å; E220-V244 HydrophobicContact CB-CG2 4.31Å; E220-V244 HydrophobicContact CG-CG2 3.77Å
245E96.6Very high94Very high68 Ų6854.8 Ų54.832%0.31829%0.291SS..EExtended strand (participates in β ladder)trans-154.1139.1-179.4-172.9-179.6-127.100109.9R218 Y247R218-E245 HydrophobicContact CB-CB 4.16Å; R218-E245 HydrophobicContact CG-CB 4.42Å; R218-E245 IonicContact CZ-OE2 3.2Å; R218-E245 PolarHBondContact N-O 3.07Å; R218-E245 IonicContact NE-OE2 3.28Å; R218-E245 PolarHBondContact NE-OE2 3.48Å; R218-E245 IonicContact NH1-OE2 2.71Å; R218-E245 PolarHBondContact NH1-OE2 3.44Å; R218-E245 IonicContact NH2-OE2 2.8Å; R218-E245 PolarHBondContact O-N 3.36Å; E245-Y247 HydrophobicContact CG-CD1 3.84Å; E245-Y247 HydrophobicContact CG-CE1 3.96Å
246H97.6Very high92.6Very high103 Ų10355.8 Ų55.848%0.47730%0.3SS..EExtended strand (participates in β ladder)trans-149124.4170.6-177.6-159.8000110.3D215 I216 R217 V243D215-H246 IonicContact OD2-CD2 3.53Å; D215-H246 IonicContact OD2-CE1 2.81Å; D215-H246 IonicContact OD2-NE2 3.22Å; D215-H246 PolarHBondContact OD2-NE2 3.31Å; I216-H246 VanDerWaalsContact O-CA 3.32Å; I216-H246 WeakPolarHBondContact O-CA 3.3Å; I216-H246 PolarHBondContact O-CD2 3.36Å; I216-H246 VanDerWaalsContact O-CD2 3.28Å; R217-H246 HydrophobicContact CG-CB 4.36Å; V243-H246 HydrophobicContact CG1-CB 3.93Å
247Y98Very high90.6Very high78 Ų7861.6 Ų61.631%0.30633%0.331SS..EExtended strand (participates in β ladder)trans-152.9164.4171.263.3-81.2000110.9I216 E245 E249I216-Y247 HydrophobicContact CB-CD1 4.31Å; I216-Y247 HydrophobicContact CB-CE1 3.87Å; I216-Y247 HydrophobicContact CB-CE2 4.4Å; I216-Y247 HydrophobicContact CD1-CD2 3.96Å; I216-Y247 HydrophobicContact CD1-CE1 4.45Å; I216-Y247 HydrophobicContact CD1-CE2 3.46Å; I216-Y247 VanDerWaalsContact CD1-CE2 3.46Å; I216-Y247 HydrophobicContact CG1-CE1 4.33Å; I216-Y247 HydrophobicContact CG1-CE2 4.12Å; I216-Y247 HydrophobicContact CG2-CE1 3.99Å; I216-Y247 PolarHBondContact N-O 3.22Å; I216-Y247 PolarHBondContact O-N 3.28Å; I216-Y247 VanDerWaalsContact O-N 3.14Å; E245-Y247 HydrophobicContact CG-CD1 3.84Å; E245-Y247 HydrophobicContact CG-CE1 3.96Å; Y247-E249 HydrophobicContact CD2-CG 3.9Å; Y247-E249 HydrophobicContact CE2-CG 4.03Å
248T98.3Very high88.3Confident15 Ų1564.9 Ų64.99%0.09236%0.358CS..EExtended strand (participates in β ladder)trans-132.7144.2-179.2-45.50000110.4T134 E136 I213 R214 D215T134-T248 HydrophobicContact CG2-CG2 3.86Å; T134-T248 PolarHBondContact N-O 3.44Å; E136-T248 WeakPolarHBondContact O-CG2 3.35Å; I213-T248 HydrophobicContact CG2-CG2 3.49Å; I213-T248 VanDerWaalsContact CG2-CG2 3.49Å; R214-T248 CarbonylContact O-C 3.56Å; R214-T248 WeakPolarHBondContact O-CA 3.19Å; R214-T248 WeakPolarHBondContact O-CG2 3.42Å; D215-T248 HydrophobicContact CB-CG2 4.33Å; D215-T248 PolarHBondContact OD2-OG1 3.06Å
249E98.1Very high85.5Confident30 Ų3068.3 Ų68.314%0.1439%0.388CS..EExtended strand (participates in β ladder)trans-135.4149.5-177.4-59.2174136.100111.2I131 S132 R214 Y247 L251I131-E249 HydrophobicContact CG2-CB 4.17Å; I131-E249 HydrophobicContact CG2-CG 4.44Å; S132-E249 CarbonylContact O-C 3.53Å; S132-E249 VanDerWaalsContact O-CA 3.3Å; S132-E249 WeakPolarHBondContact O-CA 3.34Å; R214-E249 IonicContact CZ-OE2 2.79Å; R214-E249 VanDerWaalsContact CZ-OE2 3.26Å; R214-E249 PolarHBondContact N-O 3.29Å; R214-E249 IonicContact NE-OE2 3.36Å; R214-E249 PolarHBondContact NE-OE2 3.48Å; R214-E249 IonicContact NH2-OE2 3.59Å; R214-E249 PolarHBondContact NH2-OE2 3.42Å; R214-E249 PolarHBondContact O-N 2.93Å; Y247-E249 HydrophobicContact CD2-CG 3.9Å; Y247-E249 HydrophobicContact CE2-CG 4.03Å; E249-L251 HydrophobicContact CB-CD1 3.99Å
250K97.8Very high85.2Confident42 Ų4270.4 Ų70.418%0.18340%0.401CS..EExtended strand (participates in β ladder)trans-95.5126.5164.8-72.6-175.1-179.8-166.20109.8I131 S132 T134 E136 Y211 L212 I213I131-K250 WeakPolarHBondContact CA-O 3.44Å; S132-K250 PolarHBondContact N-O 2.71Å; S132-K250 PolarHBondContact O-N 3.05Å; T134-K250 HydrophobicContact CG2-CG 3.9Å; E136-K250 WeakPolarHBondContact OE2-CE 3.42Å; E136-K250 IonicContact OE2-NZ 2.64Å; E136-K250 PolarHBondContact OE2-NZ 2.94Å; Y211-K250 HydrophobicContact CD1-CD 4.26Å; Y211-K250 HydrophobicContact CD2-CB 4.34Å; Y211-K250 HydrophobicContact CD2-CD 3.9Å; Y211-K250 HydrophobicContact CD2-CG 3.8Å; Y211-K250 HydrophobicContact CE1-CD 4.22Å; Y211-K250 HydrophobicContact CE2-CD 3.87Å; Y211-K250 HydrophobicContact CE2-CG 4.05Å; Y211-K250 HydrophobicContact CG-CB 4.47Å; Y211-K250 HydrophobicContact CG-CD 4.11Å; Y211-K250 HydrophobicContact CG-CG 4.27Å; Y211-K250 VanDerWaalsContact CZ-NZ 3.25Å; Y211-K250 PolarHBondContact OH-NZ 2.84Å; L212-K250 WeakPolarHBondContact O-CA 3.48Å; I213-K250 HydrophobicContact CD1-CG 3.75Å
251L97.9Very high84.7Confident0 Ų073.2 Ų73.20%042%0.416CS..EExtended strand (participates in β ladder)trans-107.2105.9172.5-74.263.3000107.8I70 L125 W129 I131 Y211 L212 R214 E249I70-L251 HydrophobicContact CD1-CD2 4.47Å; L125-L251 HydrophobicContact CD1-CD2 4.39Å; L125-L251 HydrophobicContact CD2-CD2 4Å; W129-L251 HydrophobicContact CE3-CB 3.84Å; W129-L251 HydrophobicContact CZ3-CB 4Å; I131-L251 HydrophobicContact CG1-CG 4.42Å; I131-L251 HydrophobicContact CG2-CD1 4.32Å; Y211-L251 CarbonylContact C-O 3.57Å; Y211-L251 VanDerWaalsContact CA-O 3.31Å; Y211-L251 WeakPolarHBondContact CA-O 3.45Å; L212-L251 HydrophobicContact CB-CB 4.2Å; L212-L251 PolarHBondContact N-O 3.18Å; L212-L251 PolarHBondContact O-N 2.95Å; R214-L251 HydrophobicContact CB-CD1 3.53Å; E249-L251 HydrophobicContact CB-CD1 3.99Å
252V96.6Very high84.3Confident45 Ų4572.7 Ų72.727%0.27342%0.415SS..EExtended strand (participates in β ladder)trans-98.7116.8177.5-176.40000108S130 Q254S130-V252 PolarHBondContact N-O 2.7Å; S130-V252 PolarHBondContact O-N 2.78Å; V252-Q254 PolarHBondContact O-N 3.28Å
253P94.4Very high83.7Confident13 Ų1374.8 Ų74.88%0.08442%0.421CS..EExtended strand (participates in β ladder)trans-69.3128.417229.4-31000109W16 Y59 C68 W129 S210W16-P253 HydrophobicContact CH2-CG 4.2Å; W16-P253 HydrophobicContact CZ2-CG 4.42Å; Y59-P253 HydrophobicContact CD1-CB 3.48Å; Y59-P253 VanDerWaalsContact CD1-CB 3.48Å; Y59-P253 HydrophobicContact CD1-CG 3.65Å; Y59-P253 HydrophobicContact CD2-CB 4.3Å; Y59-P253 HydrophobicContact CD2-CG 3.72Å; Y59-P253 HydrophobicContact CE1-CB 4.09Å; Y59-P253 HydrophobicContact CE1-CG 3.92Å; Y59-P253 HydrophobicContact CE2-CG 4Å; Y59-P253 HydrophobicContact CG-CB 3.6Å; Y59-P253 HydrophobicContact CG-CG 3.54Å; C68-P253 HydrophobicContact CB-CB 3.88Å; W129-P253 HydrophobicContact CE3-CB 4.12Å; W129-P253 HydrophobicContact CH2-CB 4.26Å; W129-P253 HydrophobicContact CZ3-CB 3.82Å; W129-P253 HydrophobicContact CZ3-CG 4.21Å; S210-P253 WeakPolarHBondContact O-CD 3.23Å
254Q90.7Very high82.9Confident99 Ų9974.6 Ų74.646%0.46342%0.418SS..PPolyproline II helixtrans-95.8140.8177-60-171.5-3900110.2I67 P128 V252I67-Q254 WeakPolarHBondContact CG2-O 3.47Å; P128-Q254 HydrophobicContact CB-CB 4.12Å; P128-Q254 HydrophobicContact CG-CB 4.31Å; P128-Q254 VanDerWaalsContact CG-O 3.31Å; P128-Q254 WeakPolarHBondContact CG-O 3.4Å; P128-Q254 WeakPolarHBondContact O-CB 3.08Å; P128-Q254 PolarHBondContact O-N 3.33Å; V252-Q254 PolarHBondContact O-N 3.28Å
255S77.4Confident82.2Confident71 Ų7174.1 Ų74.150%0.49741%0.412SS..PPolyproline II helixtrans-73129.9168.352.90000109.8N257S255-N257 PolarHBondContact O-N 3.25Å
256V64.6Low81.1Confident96 Ų9674.5 Ų74.558%0.58242%0.419SS*.SBendtrans-73.180.5161.5-173.10000106.2I67 P128I67-V256 HydrophobicContact CG2-CG2 3.8Å; P128-V256 HydrophobicContact CG-CG2 3.78Å
257N48.6Very low79.9Confident122 Ų12272.3 Ų72.365%0.65242%0.415SS*.  trans174.8105.1162.5-86.3-21.8000110.6S255S255-N257 PolarHBondContact O-N 3.25Å
258S42.8Very low78.3Confident117 Ų11771.8 Ų71.882%0.81842%0.424SS*.  trans-167.161.1148.137.80000110.7
259T33Very low76.5Confident212 Ų21277 Ų77100%1.30145%0.454SS*.  trans-149.60150.250000107.6

Retrieved 259 of 259 residues in 187.5 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).