A0A3Q0KVL9_SCHMA Loading...

Cytochrome c oxidase subunit 2

Component of the cytochrome c oxidase, the last enzyme in the mitochondrial electron transport chain which drives oxidative phosphorylation. The respiratory chain contains 3 multisubunit complexes succinate dehydrogenase (complex II, CII), ubiquinol-cytochrome c oxidoreductase (cytochrome b-c1 complex, complex III, CIII) and cytochrome c oxidase (complex IV, CIV), that cooperate to transfer electrons derived from NADH and succinate to molecular oxygen, creating an electrochemical gradient over the inner membrane that drives transmembrane transport and the ATP synthase. Cytochrome c oxidase is the component of the respiratory chain that catalyzes the reduction of oxygen to water. Electrons originating from reduced cytochrome c in the intermembrane space (IMS) are transferred via the dinuclear copper A center (CU(A)) of subunit 2 and heme A of subunit 1 to the active site in subunit 1, a binuclear center (BNC) formed by heme A3 and copper B (CU(B)). The BNC reduces molecular oxygen to 2 water molecules using 4 electrons from cytochrome c in the IMS and 4 protons from the mitochondrial matrix.

AlphaFold DB , UniProt , Accession A0A3Q0KVL9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 196 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M53.8Low80.9Confident208 Ų208124.9 Ų124.9100%1.02559%0.587SS**  0-51.10-126.9171.982.500113.1Y3 N4 L5M1-Y3 VanDerWaalsContact C-N 3.34Å; M1-Y3 PolarHBondContact O-N 2.97Å; M1-N4 PolarHBondContact O-N 2.99Å; M1-L5 PolarHBondContact O-N 3.47Å
2K72.7Confident81.7Confident195 Ų195120.4 Ų120.485%0.84857%0.568SS**Hα-helixtrans-56.9-40.2-179.7-68.6-173.7178.5-177.50114.3L6K2-L6 PolarHBondContact O-N 3.48Å; K2-L6 VanDerWaalsContact O-N 3.1Å
3Y78.2Confident82.6Confident168 Ų168119.9 Ų119.966%0.65957%0.57SS**Hα-helixtrans-65.1-50.9179.7-175.4-100.1000113.1M1 L5 L6 V7M1-Y3 VanDerWaalsContact C-N 3.34Å; M1-Y3 PolarHBondContact O-N 2.97Å; Y3-L5 VanDerWaalsContact C-N 3.27Å; Y3-L5 PolarHBondContact O-N 3.1Å; Y3-L6 WeakPolarHBondContact O-CB 3.3Å; Y3-L6 PolarHBondContact O-N 3.05Å; Y3-L6 VanDerWaalsContact O-N 3.09Å; Y3-V7 HydrophobicContact CD1-CG2 4.06Å; Y3-V7 HydrophobicContact CE1-CG2 3.64Å; Y3-V7 HydrophobicContact CE2-CG2 4.23Å; Y3-V7 WeakPolarHBondContact O-CG2 3.2Å; Y3-V7 PolarHBondContact O-N 2.92Å
4N76.6Confident83.4Confident92 Ų92122.2 Ų122.249%0.49257%0.572SS.*Hα-helixtrans-61.1-37.2-179.9-62.7-5.4000112.2M1 Y8M1-N4 PolarHBondContact O-N 2.99Å; N4-Y8 WeakPolarHBondContact O-CB 3.25Å; N4-Y8 PolarHBondContact O-N 3.39Å
5L79.5Confident84Confident94 Ų94119.1 Ų119.149%0.49256%0.564SS.*Hα-helixtrans-64.9-42.7176-174.965.7000111M1 Y3 Y8 Y9M1-L5 PolarHBondContact O-N 3.47Å; Y3-L5 VanDerWaalsContact C-N 3.27Å; Y3-L5 PolarHBondContact O-N 3.1Å; L5-Y8 PolarHBondContact O-N 3.03Å; L5-Y9 HydrophobicContact CD1-CD2 4.03Å; L5-Y9 HydrophobicContact CD1-CE2 3.51Å; L5-Y9 HydrophobicContact CD2-CE2 3.97Å; L5-Y9 HydrophobicContact CG-CD2 3.78Å; L5-Y9 HydrophobicContact CG-CE2 3.49Å; L5-Y9 VanDerWaalsContact CG-CE2 3.49Å; L5-Y9 WeakPolarHBondContact O-CD2 3.21Å; L5-Y9 PolarHBondContact O-N 2.9Å
6L85.7Confident84.6Confident97 Ų97117.8 Ų117.851%0.50856%0.561SS.*Hα-helixtrans-62.1-48.9176.4-172.471.5000111.5K2 Y3 Y8 Y9 D10K2-L6 PolarHBondContact O-N 3.48Å; K2-L6 VanDerWaalsContact O-N 3.1Å; Y3-L6 WeakPolarHBondContact O-CB 3.3Å; Y3-L6 PolarHBondContact O-N 3.05Å; Y3-L6 VanDerWaalsContact O-N 3.09Å; L6-Y8 VanDerWaalsContact C-N 3.26Å; L6-Y8 PolarHBondContact O-N 3.48Å; L6-Y9 WeakPolarHBondContact O-CB 3.47Å; L6-Y9 PolarHBondContact O-N 2.85Å; L6-Y9 VanDerWaalsContact O-N 3.07Å; L6-D10 VanDerWaalsContact O-CG 3.31Å; L6-D10 PolarHBondContact O-N 3.24Å
7V86.9Confident85.1Confident66 Ų66113.1 Ų113.140%0.455%0.551SS.*Hα-helixtrans-59.4-39.6177.7174.40000111.4Y3 D10 L11Y3-V7 HydrophobicContact CD1-CG2 4.06Å; Y3-V7 HydrophobicContact CE1-CG2 3.64Å; Y3-V7 HydrophobicContact CE2-CG2 4.23Å; Y3-V7 WeakPolarHBondContact O-CG2 3.2Å; Y3-V7 PolarHBondContact O-N 2.92Å; V7-D10 PolarHBondContact O-N 3.42Å; V7-L11 WeakPolarHBondContact O-CB 3.38Å; V7-L11 PolarHBondContact O-N 3.5Å
8Y84.4Confident85.5Confident133 Ų133110.5 Ų110.552%0.52254%0.539SS..Hα-helixtrans-63.1-46.2174.4176.4-99.7000111.7N4 L5 L6 D10 L11 M12N4-Y8 WeakPolarHBondContact O-CB 3.25Å; N4-Y8 PolarHBondContact O-N 3.39Å; L5-Y8 PolarHBondContact O-N 3.03Å; L6-Y8 VanDerWaalsContact C-N 3.26Å; L6-Y8 PolarHBondContact O-N 3.48Å; Y8-D10 PolarHBondContact O-N 3.27Å; Y8-L11 PolarHBondContact O-N 2.69Å; Y8-M12 HydrophobicContact CD1-CG 4.2Å; Y8-M12 HydrophobicContact CD2-CG 4.35Å; Y8-M12 HydrophobicContact CE1-CG 3.76Å; Y8-M12 HydrophobicContact CE2-CG 3.91Å; Y8-M12 HydrophobicContact CE2-SD 4.1Å; Y8-M12 HydrophobicContact CG-CG 4.48Å; Y8-M12 WeakPolarHBondContact O-CB 3.39Å; Y8-M12 VanDerWaalsContact O-CG 3.27Å; Y8-M12 WeakPolarHBondContact O-CG 3.28Å; Y8-M12 PolarHBondContact O-N 3Å
9Y90Very high85.9Confident133 Ų133108.2 Ų108.252%0.52254%0.535SS..Hα-helixtrans-60.5-43.9175.3-82.6-65.7000112.2L5 L6 L11 M12 L13L5-Y9 HydrophobicContact CD1-CD2 4.03Å; L5-Y9 HydrophobicContact CD1-CE2 3.51Å; L5-Y9 HydrophobicContact CD2-CE2 3.97Å; L5-Y9 HydrophobicContact CG-CD2 3.78Å; L5-Y9 HydrophobicContact CG-CE2 3.49Å; L5-Y9 VanDerWaalsContact CG-CE2 3.49Å; L5-Y9 WeakPolarHBondContact O-CD2 3.21Å; L5-Y9 PolarHBondContact O-N 2.9Å; L6-Y9 WeakPolarHBondContact O-CB 3.47Å; L6-Y9 PolarHBondContact O-N 2.85Å; L6-Y9 VanDerWaalsContact O-N 3.07Å; Y9-L11 PolarHBondContact O-N 3.41Å; Y9-M12 PolarHBondContact O-N 2.99Å; Y9-L13 WeakPolarHBondContact O-CB 3.46Å; Y9-L13 VanDerWaalsContact O-CG 3.26Å; Y9-L13 WeakPolarHBondContact O-CG 3.31Å; Y9-L13 PolarHBondContact O-N 2.89Å
10D91.8Very high86.4Confident87 Ų87107.7 Ų107.747%0.46554%0.538SS..Hα-helixtrans-62.2-43.2177.9-67.2-21.2000111.3L6 V7 Y8 L13 Y14L6-D10 VanDerWaalsContact O-CG 3.31Å; L6-D10 PolarHBondContact O-N 3.24Å; V7-D10 PolarHBondContact O-N 3.42Å; Y8-D10 PolarHBondContact O-N 3.27Å; D10-L13 PolarHBondContact O-N 3.03Å; D10-Y14 WeakPolarHBondContact O-CB 3.46Å; D10-Y14 PolarHBondContact O-N 2.67Å
11L90.1Very high86.8Confident101 Ų101108.4 Ų108.453%0.52954%0.538SS..Hα-helixtrans-62.9-44175.5-175.569.5000111.3V7 Y8 Y9 Y14 V15V7-L11 WeakPolarHBondContact O-CB 3.38Å; V7-L11 PolarHBondContact O-N 3.5Å; Y8-L11 PolarHBondContact O-N 2.69Å; Y9-L11 PolarHBondContact O-N 3.41Å; L11-Y14 WeakPolarHBondContact O-CB 3.36Å; L11-Y14 PolarHBondContact O-N 3.22Å; L11-V15 VanDerWaalsContact O-CG2 3.31Å; L11-V15 WeakPolarHBondContact O-CG2 3.35Å; L11-V15 PolarHBondContact O-N 3.1Å
12M90.7Very high88.7Confident71 Ų71103 Ų10335%0.3551%0.512SS..Hα-helixtrans-65.1-41.7178.3-72.2-56.8-59.800111.8Y8 Y9 Y14 V15 L16Y8-M12 HydrophobicContact CD1-CG 4.2Å; Y8-M12 HydrophobicContact CD2-CG 4.35Å; Y8-M12 HydrophobicContact CE1-CG 3.76Å; Y8-M12 HydrophobicContact CE2-CG 3.91Å; Y8-M12 HydrophobicContact CE2-SD 4.1Å; Y8-M12 HydrophobicContact CG-CG 4.48Å; Y8-M12 WeakPolarHBondContact O-CB 3.39Å; Y8-M12 VanDerWaalsContact O-CG 3.27Å; Y8-M12 WeakPolarHBondContact O-CG 3.28Å; Y8-M12 PolarHBondContact O-N 3Å; Y9-M12 PolarHBondContact O-N 2.99Å; M12-Y14 VanDerWaalsContact C-N 3.33Å; M12-V15 PolarHBondContact O-N 3.36Å; M12-L16 WeakPolarHBondContact O-CB 3.4Å; M12-L16 VanDerWaalsContact O-CG 3.26Å; M12-L16 WeakPolarHBondContact O-CG 3.5Å; M12-L16 PolarHBondContact O-N 2.87Å
13L93.9Very high89.8Confident114 Ų11496.9 Ų96.960%0.59749%0.492SS*.Hα-helixtrans-63.3-40174.6-72.7171.9000111.4Y9 D10 G17Y9-L13 WeakPolarHBondContact O-CB 3.46Å; Y9-L13 VanDerWaalsContact O-CG 3.26Å; Y9-L13 WeakPolarHBondContact O-CG 3.31Å; Y9-L13 PolarHBondContact O-N 2.89Å; D10-L13 PolarHBondContact O-N 3.03Å; L13-G17 PolarHBondContact O-N 3.26Å
14Y92.8Very high90.6Very high152 Ų15293.8 Ų93.860%0.59649%0.487SS*.Hα-helixtrans-62.7-49.4174.2177.8-98.3000111.8D10 L11 M12 L16 G17 M18D10-Y14 WeakPolarHBondContact O-CB 3.46Å; D10-Y14 PolarHBondContact O-N 2.67Å; L11-Y14 WeakPolarHBondContact O-CB 3.36Å; L11-Y14 PolarHBondContact O-N 3.22Å; M12-Y14 VanDerWaalsContact C-N 3.33Å; Y14-L16 VanDerWaalsContact C-N 3.35Å; Y14-L16 PolarHBondContact O-N 3.02Å; Y14-G17 PolarHBondContact O-N 3.4Å; Y14-M18 HydrophobicContact CD1-CG 4.29Å; Y14-M18 HydrophobicContact CD2-CG 4.44Å; Y14-M18 HydrophobicContact CE1-CG 3.87Å; Y14-M18 HydrophobicContact CE2-CG 4.03Å; Y14-M18 HydrophobicContact CE2-SD 4.21Å; Y14-M18 WeakPolarHBondContact O-CG 3.43Å; Y14-M18 PolarHBondContact O-N 3.31Å
15V92.5Very high91.5Very high75 Ų7591.7 Ų91.746%0.45548%0.479SS..Hα-helixtrans-60.6-44.4178.2171.50000111L11 M12 M18 S19L11-V15 VanDerWaalsContact O-CG2 3.31Å; L11-V15 WeakPolarHBondContact O-CG2 3.35Å; L11-V15 PolarHBondContact O-N 3.1Å; M12-V15 PolarHBondContact O-N 3.36Å; V15-M18 PolarHBondContact O-N 2.94Å; V15-S19 VanDerWaalsContact O-CB 3.31Å; V15-S19 WeakPolarHBondContact O-CB 3.08Å; V15-S19 PolarHBondContact O-N 3.2Å; V15-S19 PolarHBondContact O-OG 3.43Å
16L93.5Very high92.2Very high98 Ų9890.9 Ų90.951%0.51348%0.477SS..Hα-helixtrans-61.5-46.5175.3-75.5168.6000111.3M12 Y14 M18 S19 V20M12-L16 WeakPolarHBondContact O-CB 3.4Å; M12-L16 VanDerWaalsContact O-CG 3.26Å; M12-L16 WeakPolarHBondContact O-CG 3.5Å; M12-L16 PolarHBondContact O-N 2.87Å; Y14-L16 VanDerWaalsContact C-N 3.35Å; Y14-L16 PolarHBondContact O-N 3.02Å; L16-M18 PolarHBondContact O-N 3.33Å; L16-S19 WeakPolarHBondContact CA-OG 3.36Å; L16-S19 PolarHBondContact O-N 2.92Å; L16-S19 PolarHBondContact O-OG 3.16Å; L16-V20 WeakPolarHBondContact O-CG2 3.41Å; L16-V20 PolarHBondContact O-N 3.2Å
17G94.4Very high92.6Very high39 Ų3992.4 Ų92.440%0.40248%0.483SS..Hα-helixtrans-55.9-48.8176.100000112L13 Y14 S19 V20 F21L13-G17 PolarHBondContact O-N 3.26Å; Y14-G17 PolarHBondContact O-N 3.4Å; G17-S19 PolarHBondContact O-N 3.23Å; G17-V20 PolarHBondContact O-N 3.41Å; G17-F21 WeakPolarHBondContact O-CB 3.23Å; G17-F21 PolarHBondContact O-N 3.01Å
18M92.2Very high93Very high66 Ų6692.6 Ų92.633%0.32549%0.485SS..Hα-helixtrans-65.2-38.2177.1-65.5-55.6-67.600112.3Y14 V15 L16 V20 F21 I22Y14-M18 HydrophobicContact CD1-CG 4.29Å; Y14-M18 HydrophobicContact CD2-CG 4.44Å; Y14-M18 HydrophobicContact CE1-CG 3.87Å; Y14-M18 HydrophobicContact CE2-CG 4.03Å; Y14-M18 HydrophobicContact CE2-SD 4.21Å; Y14-M18 WeakPolarHBondContact O-CG 3.43Å; Y14-M18 PolarHBondContact O-N 3.31Å; V15-M18 PolarHBondContact O-N 2.94Å; L16-M18 PolarHBondContact O-N 3.33Å; M18-V20 PolarHBondContact O-N 3.07Å; M18-F21 PolarHBondContact O-N 3.43Å; M18-I22 HydrophobicContact CB-CD1 4.49Å; M18-I22 HydrophobicContact CE-CD1 3.96Å; M18-I22 HydrophobicContact CE-CG1 4.2Å; M18-I22 WeakPolarHBondContact O-CB 3.48Å; M18-I22 WeakPolarHBondContact O-CG1 3.4Å; M18-I22 PolarHBondContact O-N 2.89Å
19S93.1Very high93.2Very high66 Ų6692 Ų9246%0.46249%0.488SS..Hα-helixtrans-66.8-23.1178.5760000113.8V15 L16 G17 P23V15-S19 VanDerWaalsContact O-CB 3.31Å; V15-S19 WeakPolarHBondContact O-CB 3.08Å; V15-S19 PolarHBondContact O-N 3.2Å; V15-S19 PolarHBondContact O-OG 3.43Å; L16-S19 WeakPolarHBondContact CA-OG 3.36Å; L16-S19 PolarHBondContact O-N 2.92Å; L16-S19 PolarHBondContact O-OG 3.16Å; G17-S19 PolarHBondContact O-N 3.23Å; S19-P23 WeakPolarHBondContact O-CD 2.85Å; S19-P23 WeakPolarHBondContact O-CG 3.36Å
20V94.8Very high93.3Very high98 Ų9888.9 Ų88.959%0.59449%0.485SS*.Hα-helixtrans-93.1-42.7174176.60000110.7L16 G17 M18 P23 L24L16-V20 WeakPolarHBondContact O-CG2 3.41Å; L16-V20 PolarHBondContact O-N 3.2Å; G17-V20 PolarHBondContact O-N 3.41Å; M18-V20 PolarHBondContact O-N 3.07Å; V20-P23 WeakPolarHBondContact O-CD 3.06Å; V20-L24 VanDerWaalsContact O-CB 3.23Å; V20-L24 WeakPolarHBondContact O-CB 3.35Å; V20-L24 PolarHBondContact O-N 3.43Å; V20-L24 VanDerWaalsContact O-N 3.08Å
21F94.6Very high93.3Very high124 Ų12491.6 Ų91.654%0.54449%0.49SS..Hα-helixtrans-64.1-45.7-176.5179.5-102.3000112.8G17 M18 L24 C25G17-F21 WeakPolarHBondContact O-CB 3.23Å; G17-F21 PolarHBondContact O-N 3.01Å; M18-F21 PolarHBondContact O-N 3.43Å; F21-L24 PolarHBondContact O-N 3.27Å; F21-C25 VanDerWaalsContact CZ-SG 3.54Å; F21-C25 PolarHBondContact O-N 3.4Å; F21-C25 PolarHBondContact O-SG 3.38Å
22I94.6Very high93.1Very high93 Ų9392.3 Ų92.348%0.47749%0.49SS..Hα-helixtrans-64.4-52.7-177.6-63.8168.4000110.8M18 L24 C25 V26M18-I22 HydrophobicContact CB-CD1 4.49Å; M18-I22 HydrophobicContact CE-CD1 3.96Å; M18-I22 HydrophobicContact CE-CG1 4.2Å; M18-I22 WeakPolarHBondContact O-CB 3.48Å; M18-I22 WeakPolarHBondContact O-CG1 3.4Å; M18-I22 PolarHBondContact O-N 2.89Å; I22-L24 VanDerWaalsContact C-N 3.3Å; I22-L24 PolarHBondContact O-N 3.08Å; I22-C25 PolarHBondContact O-N 3.34Å; I22-V26 WeakPolarHBondContact O-CG2 3.15Å; I22-V26 PolarHBondContact O-N 3.23Å
23P95.6Very high92.8Very high67 Ų6794.3 Ų94.344%0.43550%0.5SS..Hα-helixtrans-61.7-36.3177.1-25.837.9000112.9S19 V20 C25 V26 M27S19-P23 WeakPolarHBondContact O-CD 2.85Å; S19-P23 WeakPolarHBondContact O-CG 3.36Å; V20-P23 WeakPolarHBondContact O-CD 3.06Å; P23-C25 PolarHBondContact O-N 2.68Å; P23-V26 PolarHBondContact O-N 3.27Å; P23-M27 WeakPolarHBondContact O-CB 3.38Å; P23-M27 VanDerWaalsContact O-CG 3.23Å; P23-M27 WeakPolarHBondContact O-CG 3.37Å; P23-M27 PolarHBondContact O-N 3.2Å
24L95.8Very high92.4Very high103 Ų10396 Ų9654%0.53950%0.5SS..Hα-helixtrans-60.4-46.4175.5-178.268.3000111.5V20 F21 I22 V26 M27 V28V20-L24 VanDerWaalsContact O-CB 3.23Å; V20-L24 WeakPolarHBondContact O-CB 3.35Å; V20-L24 PolarHBondContact O-N 3.43Å; V20-L24 VanDerWaalsContact O-N 3.08Å; F21-L24 PolarHBondContact O-N 3.27Å; I22-L24 VanDerWaalsContact C-N 3.3Å; I22-L24 PolarHBondContact O-N 3.08Å; L24-V26 VanDerWaalsContact C-N 3.33Å; L24-V26 PolarHBondContact O-N 3.3Å; L24-M27 PolarHBondContact O-N 2.99Å; L24-V28 WeakPolarHBondContact O-CG2 3.19Å; L24-V28 PolarHBondContact O-N 3.21Å
25C94.6Very high92Very high49 Ų4992.8 Ų92.833%0.33149%0.49SS..Hα-helixtrans-59.9-44.4175.9-67.30000111.4F21 I22 P23 M27 V28 M29F21-C25 VanDerWaalsContact CZ-SG 3.54Å; F21-C25 PolarHBondContact O-N 3.4Å; F21-C25 PolarHBondContact O-SG 3.38Å; I22-C25 PolarHBondContact O-N 3.34Å; P23-C25 PolarHBondContact O-N 2.68Å; C25-M27 PolarHBondContact O-N 3.4Å; C25-V28 PolarHBondContact O-N 3.47Å; C25-M29 WeakPolarHBondContact O-CG 3.23Å; C25-M29 PolarHBondContact O-N 3.45Å
26V94.5Very high91.4Very high76 Ų7691.5 Ų91.546%0.46148%0.484SS..Hα-helixtrans-62.1-43.3177174.80000111.1I22 P23 L24 V28 M29 C30I22-V26 WeakPolarHBondContact O-CG2 3.15Å; I22-V26 PolarHBondContact O-N 3.23Å; P23-V26 PolarHBondContact O-N 3.27Å; L24-V26 VanDerWaalsContact C-N 3.33Å; L24-V26 PolarHBondContact O-N 3.3Å; V26-V28 VanDerWaalsContact C-N 3.35Å; V26-V28 PolarHBondContact O-N 3.32Å; V26-M29 PolarHBondContact O-N 3.48Å; V26-C30 WeakPolarHBondContact O-CB 3.36Å; V26-C30 PolarHBondContact O-N 2.91Å; V26-C30 PolarHBondContact O-SG 2.94Å
27M93.4Very high90.7Very high129 Ų12994.4 Ų94.464%0.63549%0.493SS*.Hα-helixtrans-63-40.4177.5-71.6-61.6-67.600112P23 L24 C25 C30 Y31P23-M27 WeakPolarHBondContact O-CB 3.38Å; P23-M27 VanDerWaalsContact O-CG 3.23Å; P23-M27 WeakPolarHBondContact O-CG 3.37Å; P23-M27 PolarHBondContact O-N 3.2Å; L24-M27 PolarHBondContact O-N 2.99Å; C25-M27 PolarHBondContact O-N 3.4Å; M27-C30 PolarHBondContact O-N 3.22Å; M27-Y31 WeakPolarHBondContact O-CB 3.44Å; M27-Y31 PolarHBondContact O-N 3.5Å
28V95Very high89.9Confident70 Ų7099.8 Ų99.842%0.42451%0.508SS..Hα-helixtrans-63.3-44.41741720000110.7L24 C25 V26 Y31 Q32L24-V28 WeakPolarHBondContact O-CG2 3.19Å; L24-V28 PolarHBondContact O-N 3.21Å; C25-V28 PolarHBondContact O-N 3.47Å; V26-V28 VanDerWaalsContact C-N 3.35Å; V26-V28 PolarHBondContact O-N 3.32Å; V28-Y31 PolarHBondContact O-N 2.87Å; V28-Q32 VanDerWaalsContact O-CG 3.31Å; V28-Q32 WeakPolarHBondContact O-CG 3.26Å; V28-Q32 PolarHBondContact O-N 3.4Å
29M90.1Very high88.9Confident121 Ų121100.6 Ų100.660%0.59652%0.517SS*.Hα-helixtrans-63-43.6176.3-69.7-176.998.100111.8C25 V26 Y31 Q32 M33C25-M29 WeakPolarHBondContact O-CG 3.23Å; C25-M29 PolarHBondContact O-N 3.45Å; V26-M29 PolarHBondContact O-N 3.48Å; M29-Y31 VanDerWaalsContact C-N 3.35Å; M29-Y31 PolarHBondContact O-N 3.31Å; M29-Q32 PolarHBondContact O-N 2.98Å; M29-M33 WeakPolarHBondContact O-CG 3.44Å; M29-M33 PolarHBondContact O-N 3.35Å
30C91.8Very high87.7Confident68 Ų68103.5 Ų103.546%0.45954%0.537SS..Hα-helixtrans-61.6-41.5175.8-71.90000112V26 M27 M33 Y34V26-C30 WeakPolarHBondContact O-CB 3.36Å; V26-C30 PolarHBondContact O-N 2.91Å; V26-C30 PolarHBondContact O-SG 2.94Å; M27-C30 PolarHBondContact O-N 3.22Å; C30-M33 PolarHBondContact O-N 3.08Å; C30-Y34 PolarHBondContact O-N 2.93Å
31Y90.7Very high86.3Confident143 Ų143104.5 Ų104.556%0.56154%0.536SS*.Hα-helixtrans-63.8-45.2175.9178.9-109.2000111.5M27 V28 M29 M33 Y34 E35M27-Y31 WeakPolarHBondContact O-CB 3.44Å; M27-Y31 PolarHBondContact O-N 3.5Å; V28-Y31 PolarHBondContact O-N 2.87Å; M29-Y31 VanDerWaalsContact C-N 3.35Å; M29-Y31 PolarHBondContact O-N 3.31Å; Y31-M33 VanDerWaalsContact C-N 3.32Å; Y31-M33 PolarHBondContact O-N 3.02Å; Y31-Y34 WeakPolarHBondContact O-CB 3.23Å; Y31-Y34 PolarHBondContact O-N 3.46Å; Y31-E35 HydrophobicContact CE1-CG 4.12Å; Y31-E35 HydrophobicContact CE2-CG 3.99Å; Y31-E35 WeakPolarHBondContact CE2-OE1 3.48Å; Y31-E35 PolarHBondContact O-N 3.31Å; Y31-E35 PolarHBondContact OH-OE1 2.96Å
32Q86.2Confident85Confident116 Ų116106.4 Ų106.454%0.54255%0.551SS.*Hα-helixtrans-61-40.4174.7-72.5174.4-18.300112.2V28 M29 S36V28-Q32 VanDerWaalsContact O-CG 3.31Å; V28-Q32 WeakPolarHBondContact O-CG 3.26Å; V28-Q32 PolarHBondContact O-N 3.4Å; M29-Q32 PolarHBondContact O-N 2.98Å; Q32-S36 WeakPolarHBondContact O-CB 3.29Å; Q32-S36 PolarHBondContact O-N 3.49Å
33M84.3Confident83.7Confident113 Ų113108.5 Ų108.556%0.55756%0.561SS**Hα-helixtrans-62.9-44.1174-75.5-175.669.700111.7M29 C30 Y31 S36 F37M29-M33 WeakPolarHBondContact O-CG 3.44Å; M29-M33 PolarHBondContact O-N 3.35Å; C30-M33 PolarHBondContact O-N 3.08Å; Y31-M33 VanDerWaalsContact C-N 3.32Å; Y31-M33 PolarHBondContact O-N 3.02Å; M33-S36 WeakPolarHBondContact CA-OG 3.41Å; M33-S36 PolarHBondContact O-N 3.26Å; M33-S36 PolarHBondContact O-OG 2.82Å; M33-F37 WeakPolarHBondContact O-CD2 3.5Å; M33-F37 PolarHBondContact O-N 3.22Å
34Y87.1Confident82.3Confident151 Ų151110.5 Ų110.559%0.59257%0.574SS**Hα-helixtrans-58.3-49.6177.9178.8-102.5000112.3C30 Y31 S36 F37C30-Y34 PolarHBondContact O-N 2.93Å; Y31-Y34 WeakPolarHBondContact O-CB 3.23Å; Y31-Y34 PolarHBondContact O-N 3.46Å; Y34-S36 VanDerWaalsContact C-N 3.29Å; Y34-S36 PolarHBondContact O-N 2.82Å; Y34-F37 PolarHBondContact O-N 3.45Å
35E83.9Confident81.1Confident83 Ų83111.1 Ų111.139%0.38859%0.587SS.*Hα-helixtrans-63-36177.2-66.4-66.8158.500111.8Y31 F37 Q38Y31-E35 HydrophobicContact CE1-CG 4.12Å; Y31-E35 HydrophobicContact CE2-CG 3.99Å; Y31-E35 WeakPolarHBondContact CE2-OE1 3.48Å; Y31-E35 PolarHBondContact O-N 3.31Å; Y31-E35 PolarHBondContact OH-OE1 2.96Å; E35-F37 PolarHBondContact O-N 3.28Å; E35-Q38 PolarHBondContact O-N 3.03Å; E35-Q38 VanDerWaalsContact O-N 3.16Å
36S80.4Confident80.2Confident48 Ų48115.9 Ų115.934%0.33661%0.605SS.*Hα-helixtrans-65.9-21.5178.677.50000114.1Q32 M33 Y34 Q38 V39Q32-S36 WeakPolarHBondContact O-CB 3.29Å; Q32-S36 PolarHBondContact O-N 3.49Å; M33-S36 WeakPolarHBondContact CA-OG 3.41Å; M33-S36 PolarHBondContact O-N 3.26Å; M33-S36 PolarHBondContact O-OG 2.82Å; Y34-S36 VanDerWaalsContact C-N 3.29Å; Y34-S36 PolarHBondContact O-N 2.82Å; S36-Q38 VanDerWaalsContact C-N 3.27Å; S36-Q38 PolarHBondContact O-N 3.27Å; S36-V39 PolarHBondContact O-N 2.91Å
37F78.4Confident79.8Confident160 Ų160115.4 Ų115.470%0.70260%0.604SS**THydrogen-bonded Turntrans-68.2-26.7174.5-78-75.7000113M33 Y34 E35M33-F37 WeakPolarHBondContact O-CD2 3.5Å; M33-F37 PolarHBondContact O-N 3.22Å; Y34-F37 PolarHBondContact O-N 3.45Å; E35-F37 PolarHBondContact O-N 3.28Å
38Q76.2Confident79.7Confident152 Ų152118.9 Ų118.971%0.7161%0.61SS**THydrogen-bonded Turntrans-88.5-9.6-178.7-60.8-61.9-39.400112.7E35 S36E35-Q38 PolarHBondContact O-N 3.03Å; E35-Q38 VanDerWaalsContact O-N 3.16Å; S36-Q38 VanDerWaalsContact C-N 3.27Å; S36-Q38 PolarHBondContact O-N 3.27Å
39V72.8Confident79.5Confident83 Ų83121.9 Ų121.950%0.50362%0.623SS.*SBendtrans-132.7121.4-173.4-173.90000110.4S36 M41S36-V39 PolarHBondContact O-N 2.91Å; V39-M41 VanDerWaalsContact C-N 3.3Å; V39-M41 HydrophobicContact CB-CG 4.2Å; V39-M41 HydrophobicContact CG1-CG 3.68Å; V39-M41 PolarHBondContact O-N 3.42Å
40S67.6Low79.6Confident126 Ų126120.4 Ų120.488%0.88162%0.617SS**  trans-73.586.1167.846.40000109.8I42S40-I42 PolarHBondContact O-N 3.11Å
41M64.4Low79.7Confident119 Ų119120.3 Ų120.359%0.58661%0.61SS**  trans-80.5117.5176.1-69.4-164.8-78.900110.3V39 I43V39-M41 VanDerWaalsContact C-N 3.3Å; V39-M41 HydrophobicContact CB-CG 4.2Å; V39-M41 HydrophobicContact CG1-CG 3.68Å; V39-M41 PolarHBondContact O-N 3.42Å; M41-I43 VanDerWaalsContact C-N 3.28Å; M41-I43 HydrophobicContact CB-CG1 4.25Å; M41-I43 PolarHBondContact O-N 2.98Å
42I68.5Low79.9Confident165 Ų165119.6 Ų119.685%0.84661%0.61SS**  trans-7491.2159-59.4171.6000105.7S40 P44S40-I42 PolarHBondContact O-N 3.11Å; I42-P44 VanDerWaalsContact O-CD 3.3Å; I42-P44 WeakPolarHBondContact O-CD 3.49Å
43I66.2Low80.3Confident137 Ų137117.2 Ų117.270%0.70360%0.603SS**  trans-66.5117.8174.4-55.1173.1000106.1M41 S45M41-I43 VanDerWaalsContact C-N 3.28Å; M41-I43 HydrophobicContact CB-CG1 4.25Å; M41-I43 PolarHBondContact O-N 2.98Å; I43-S45 PolarHBondContact O-N 3.47Å
44P66.8Low80.8Confident109 Ų109118.5 Ų118.571%0.70860%0.602SS**  trans-57.3143.3173.623.4-30.7000108.8I42I42-P44 VanDerWaalsContact O-CD 3.3Å; I42-P44 WeakPolarHBondContact O-CD 3.49Å
45S69.6Low81.2Confident115 Ų115115 Ų11580%0.80460%0.597SS**SBendtrans-39.7147.2-17857.30000113.6I43I43-S45 PolarHBondContact O-N 3.47Å
46E77.4Confident81.8Confident150 Ų150115.5 Ų115.570%0.70160%0.601SS**  trans-24.6131.6175.3-63.6171.5175.900115R48E46-R48 VanDerWaalsContact C-N 3.35Å; E46-R48 PolarHBondContact O-N 3.33Å
47S85.8Confident82.6Confident65 Ų65117 Ų11746%0.45561%0.608SS.*  trans-8382.2175.3-175.20000110.2L49 L50 E51S47-L49 PolarHBondContact O-N 3.32Å; S47-L49 VanDerWaalsContact O-N 3.1Å; S47-L50 WeakPolarHBondContact O-CB 3.37Å; S47-L50 PolarHBondContact O-N 3.4Å; S47-L50 WeakPolarHBondContact OG-CB 3.31Å; S47-L50 PolarHBondContact OG-N 3.28Å; S47-E51 PolarHBondContact O-N 2.94Å
48R90.2Very high83.4Confident203 Ų203112.4 Ų112.477%0.76660%0.595SS**Hα-helixtrans-52.8-33.8178.5-71.4-167.9-81.7170.7-7.6113.6E46 F52E46-R48 VanDerWaalsContact C-N 3.35Å; E46-R48 PolarHBondContact O-N 3.33Å; R48-F52 WeakPolarHBondContact O-CB 3.37Å; R48-F52 PolarHBondContact O-N 2.93Å
49L92.4Very high84.4Confident133 Ų133108.2 Ų108.270%0.69658%0.582SS**Hα-helixtrans-70.6-42.1177.7-175.1142.6000111.7S47 E51 F52 V53S47-L49 PolarHBondContact O-N 3.32Å; S47-L49 VanDerWaalsContact O-N 3.1Å; L49-E51 VanDerWaalsContact C-N 3.34Å; L49-F52 PolarHBondContact O-N 3.48Å; L49-V53 HydrophobicContact CD2-CG2 4.17Å; L49-V53 VanDerWaalsContact O-CG2 3.25Å; L49-V53 WeakPolarHBondContact O-CG2 3.48Å; L49-V53 PolarHBondContact O-N 3.03Å
50L91.6Very high85.5Confident89 Ų89110.8 Ų110.847%0.46659%0.586SS.*Hα-helixtrans-64.6-42.6177.6-177.166.7000110.6S47 F52 V53 W54S47-L50 WeakPolarHBondContact O-CB 3.37Å; S47-L50 PolarHBondContact O-N 3.4Å; S47-L50 WeakPolarHBondContact OG-CB 3.31Å; S47-L50 PolarHBondContact OG-N 3.28Å; L50-F52 PolarHBondContact O-N 3.47Å; L50-V53 PolarHBondContact O-N 3.34Å; L50-W54 HydrophobicContact CB-CE3 4.45Å; L50-W54 HydrophobicContact CB-CZ3 4.32Å; L50-W54 HydrophobicContact CD1-CE3 4.13Å; L50-W54 HydrophobicContact CD1-CZ3 4.41Å; L50-W54 HydrophobicContact CD2-CE3 3.93Å; L50-W54 HydrophobicContact CD2-CH2 4.26Å; L50-W54 HydrophobicContact CD2-CZ3 3.36Å; L50-W54 HydrophobicContact CG-CD2 4.46Å; L50-W54 HydrophobicContact CG-CE3 3.46Å; L50-W54 VanDerWaalsContact CG-CE3 3.46Å; L50-W54 HydrophobicContact CG-CH2 4.35Å; L50-W54 HydrophobicContact CG-CZ3 3.39Å; L50-W54 PolarHBondContact O-N 3.3Å
51E92.6Very high86.9Confident66 Ų66110.4 Ų110.431%0.30857%0.572SS.*Hα-helixtrans-57.7-47.1173.9-81.3165.8-157.300113.3S47 L49 W54 T55S47-E51 PolarHBondContact O-N 2.94Å; L49-E51 VanDerWaalsContact C-N 3.34Å; E51-W54 VanDerWaalsContact CA-CE2 3.42Å; E51-W54 HydrophobicContact CB-CZ2 4.06Å; E51-W54 HydrophobicContact CG-CH2 3.77Å; E51-W54 HydrophobicContact CG-CZ2 3.2Å; E51-W54 PolarHBondContact O-NE1 3.43Å; E51-T55 VanDerWaalsContact O-CB 3.28Å; E51-T55 WeakPolarHBondContact O-CB 3.35Å; E51-T55 PolarHBondContact O-N 3.36Å; E51-T55 VanDerWaalsContact O-N 3.1Å; E51-T55 PolarHBondContact O-OG1 3.18Å
52F94.8Very high88.4Confident129 Ų129109.3 Ų109.357%0.56657%0.572SS**Hα-helixtrans-61-48.2176178.9-102.2000111.3R48 L49 L50 T55 L56R48-F52 WeakPolarHBondContact O-CB 3.37Å; R48-F52 PolarHBondContact O-N 2.93Å; L49-F52 PolarHBondContact O-N 3.48Å; L50-F52 PolarHBondContact O-N 3.47Å; F52-T55 PolarHBondContact O-N 2.83Å; F52-L56 HydrophobicContact CE1-CD2 3.84Å; F52-L56 HydrophobicContact CZ-CD1 4.37Å; F52-L56 HydrophobicContact CZ-CD2 4.03Å; F52-L56 WeakPolarHBondContact O-CB 2.99Å; F52-L56 PolarHBondContact O-N 2.8Å
53V96.3Very high89.7Confident65 Ų65107.1 Ų107.139%0.39456%0.562SS.*Hα-helixtrans-63.1-47.9-178171.30000111.4L49 L50 T55 L56 V57L49-V53 HydrophobicContact CD2-CG2 4.17Å; L49-V53 VanDerWaalsContact O-CG2 3.25Å; L49-V53 WeakPolarHBondContact O-CG2 3.48Å; L49-V53 PolarHBondContact O-N 3.03Å; L50-V53 PolarHBondContact O-N 3.34Å; V53-T55 PolarHBondContact O-N 2.88Å; V53-L56 PolarHBondContact O-N 3.48Å; V53-V57 HydrophobicContact CG1-CG2 4.3Å; V53-V57 WeakPolarHBondContact O-CB 3.49Å; V53-V57 WeakPolarHBondContact O-CG2 3.4Å; V53-V57 PolarHBondContact O-N 3.34Å
54W94.6Very high91.2Very high141 Ų141103.3 Ų103.353%0.53454%0.544SS..Hα-helixtrans-72.2-13-179.974.543.8000113.5L50 E51 P58L50-W54 HydrophobicContact CB-CE3 4.45Å; L50-W54 HydrophobicContact CB-CZ3 4.32Å; L50-W54 HydrophobicContact CD1-CE3 4.13Å; L50-W54 HydrophobicContact CD1-CZ3 4.41Å; L50-W54 HydrophobicContact CD2-CE3 3.93Å; L50-W54 HydrophobicContact CD2-CH2 4.26Å; L50-W54 HydrophobicContact CD2-CZ3 3.36Å; L50-W54 HydrophobicContact CG-CD2 4.46Å; L50-W54 HydrophobicContact CG-CE3 3.46Å; L50-W54 VanDerWaalsContact CG-CE3 3.46Å; L50-W54 HydrophobicContact CG-CH2 4.35Å; L50-W54 HydrophobicContact CG-CZ3 3.39Å; L50-W54 PolarHBondContact O-N 3.3Å; E51-W54 VanDerWaalsContact CA-CE2 3.42Å; E51-W54 HydrophobicContact CB-CZ2 4.06Å; E51-W54 HydrophobicContact CG-CH2 3.77Å; E51-W54 HydrophobicContact CG-CZ2 3.2Å; E51-W54 PolarHBondContact O-NE1 3.43Å; W54-P58 WeakPolarHBondContact O-CD 3.41Å; W54-P58 WeakPolarHBondContact O-CG 3.49Å
55T95.7Very high92.5Very high78 Ų78103.1 Ų103.148%0.47954%0.537SS..Hα-helixtrans-91.1-40.9174.6-570000109.9E51 F52 V53 S59E51-T55 VanDerWaalsContact O-CB 3.28Å; E51-T55 WeakPolarHBondContact O-CB 3.35Å; E51-T55 PolarHBondContact O-N 3.36Å; E51-T55 VanDerWaalsContact O-N 3.1Å; E51-T55 PolarHBondContact O-OG1 3.18Å; F52-T55 PolarHBondContact O-N 2.83Å; V53-T55 PolarHBondContact O-N 2.88Å; T55-S59 VanDerWaalsContact O-CB 3.23Å; T55-S59 WeakPolarHBondContact O-CB 3.26Å; T55-S59 PolarHBondContact O-N 2.88Å; T55-S59 PolarHBondContact O-OG 3.44Å
56L96.5Very high93.7Very high93 Ų93100.7 Ų100.749%0.48752%0.519SS..Hα-helixtrans-66.5-46-179.7-173.373.1000111.6F52 V53 S59 F60F52-L56 HydrophobicContact CE1-CD2 3.84Å; F52-L56 HydrophobicContact CZ-CD1 4.37Å; F52-L56 HydrophobicContact CZ-CD2 4.03Å; F52-L56 WeakPolarHBondContact O-CB 2.99Å; F52-L56 PolarHBondContact O-N 2.8Å; V53-L56 PolarHBondContact O-N 3.48Å; L56-S59 PolarHBondContact O-N 2.92Å; L56-F60 WeakPolarHBondContact O-CB 3.38Å; L56-F60 PolarHBondContact O-N 2.88Å
57V96.6Very high94.5Very high78 Ų7899.9 Ų99.947%0.47351%0.514SS..Hα-helixtrans-61.7-53.8-176169.20000111.9V53 S59 F60 M61V53-V57 HydrophobicContact CG1-CG2 4.3Å; V53-V57 WeakPolarHBondContact O-CB 3.49Å; V53-V57 WeakPolarHBondContact O-CG2 3.4Å; V53-V57 PolarHBondContact O-N 3.34Å; V57-S59 VanDerWaalsContact C-N 3.33Å; V57-S59 PolarHBondContact O-N 3.41Å; V57-F60 PolarHBondContact O-N 3.18Å; V57-M61 HydrophobicContact CG1-SD 4.27Å; V57-M61 WeakPolarHBondContact O-CG 3.38Å; V57-M61 PolarHBondContact O-N 2.94Å
58P95.4Very high95Very high65 Ų65102.7 Ų102.742%0.42252%0.518SS..Hα-helixtrans-61.3-39175.6-26.238000113W54 F60 M61 V62W54-P58 WeakPolarHBondContact O-CD 3.41Å; W54-P58 WeakPolarHBondContact O-CG 3.49Å; P58-F60 VanDerWaalsContact C-N 3.32Å; P58-F60 PolarHBondContact O-N 2.86Å; P58-M61 PolarHBondContact O-N 3.1Å; P58-V62 WeakPolarHBondContact O-CG2 3.43Å; P58-V62 PolarHBondContact O-N 2.83Å
59S95.9Very high95Very high63 Ų6398.1 Ų98.144%0.44151%0.508SS..Hα-helixtrans-60.1-44.2177.5-63.80000111.3T55 L56 V57 V62 L63T55-S59 VanDerWaalsContact O-CB 3.23Å; T55-S59 WeakPolarHBondContact O-CB 3.26Å; T55-S59 PolarHBondContact O-N 2.88Å; T55-S59 PolarHBondContact O-OG 3.44Å; L56-S59 PolarHBondContact O-N 2.92Å; V57-S59 VanDerWaalsContact C-N 3.33Å; V57-S59 PolarHBondContact O-N 3.41Å; S59-V62 PolarHBondContact O-N 3.39Å; S59-L63 WeakPolarHBondContact O-CG 3.32Å; S59-L63 PolarHBondContact O-N 3.23Å; S59-L63 VanDerWaalsContact O-N 3.08Å
60F97.2Very high95Very high137 Ų13796.6 Ų96.660%0.60150%0.501SS*.Hα-helixtrans-64.3-42.6174.9-176-100.6000112.1L56 V57 P58 V62 L63 V64L56-F60 WeakPolarHBondContact O-CB 3.38Å; L56-F60 PolarHBondContact O-N 2.88Å; V57-F60 PolarHBondContact O-N 3.18Å; P58-F60 VanDerWaalsContact C-N 3.32Å; P58-F60 PolarHBondContact O-N 2.86Å; F60-V62 VanDerWaalsContact C-N 3.34Å; F60-V62 PolarHBondContact O-N 3.34Å; F60-L63 WeakPolarHBondContact O-CB 3.41Å; F60-L63 PolarHBondContact O-N 3.43Å; F60-V64 HydrophobicContact CD1-CG2 4.16Å; F60-V64 HydrophobicContact CE1-CG2 3.75Å; F60-V64 HydrophobicContact CZ-CG2 3.94Å; F60-V64 WeakPolarHBondContact O-CG2 3.31Å; F60-V64 PolarHBondContact O-N 3.4Å
61M96.1Very high94.9Very high119 Ų11999.4 Ų99.459%0.58651%0.509SS*.Hα-helixtrans-60.2-42.4176.2-69179.5111.600112.1V57 P58 L63 V64 L65V57-M61 HydrophobicContact CG1-SD 4.27Å; V57-M61 WeakPolarHBondContact O-CG 3.38Å; V57-M61 PolarHBondContact O-N 2.94Å; P58-M61 PolarHBondContact O-N 3.1Å; M61-L63 VanDerWaalsContact C-N 3.34Å; M61-L63 PolarHBondContact O-N 3.49Å; M61-V64 PolarHBondContact O-N 2.94Å; M61-L65 WeakPolarHBondContact O-CG 3.11Å; M61-L65 PolarHBondContact O-N 3.09Å
62V96Very high94.7Very high95 Ų95102.9 Ų102.958%0.57652%0.52SS*.Hα-helixtrans-63.1-40.5176.1171.60000111.3P58 S59 F60 L65 C66P58-V62 WeakPolarHBondContact O-CG2 3.43Å; P58-V62 PolarHBondContact O-N 2.83Å; S59-V62 PolarHBondContact O-N 3.39Å; F60-V62 VanDerWaalsContact C-N 3.34Å; F60-V62 PolarHBondContact O-N 3.34Å; V62-L65 PolarHBondContact O-N 3.31Å; V62-C66 VanDerWaalsContact O-CB 3.29Å; V62-C66 WeakPolarHBondContact O-CB 3.4Å; V62-C66 PolarHBondContact O-N 3.25Å
63L96.6Very high94.2Very high120 Ų120101.9 Ų101.963%0.62852%0.52SS*.Hα-helixtrans-61.9-43.7175.5-72.2173000112S59 F60 M61 C66 F67S59-L63 WeakPolarHBondContact O-CG 3.32Å; S59-L63 PolarHBondContact O-N 3.23Å; S59-L63 VanDerWaalsContact O-N 3.08Å; F60-L63 WeakPolarHBondContact O-CB 3.41Å; F60-L63 PolarHBondContact O-N 3.43Å; M61-L63 VanDerWaalsContact C-N 3.34Å; M61-L63 PolarHBondContact O-N 3.49Å; L63-C66 WeakPolarHBondContact O-CB 3.41Å; L63-C66 PolarHBondContact O-N 3.07Å; L63-F67 PolarHBondContact O-N 2.87Å
64V96.6Very high93.7Very high56 Ų56103.1 Ų103.134%0.33953%0.528SS..Hα-helixtrans-61.5-46.6176.2172.90000110.7F60 M61 C66 F67 F68F60-V64 HydrophobicContact CD1-CG2 4.16Å; F60-V64 HydrophobicContact CE1-CG2 3.75Å; F60-V64 HydrophobicContact CZ-CG2 3.94Å; F60-V64 WeakPolarHBondContact O-CG2 3.31Å; F60-V64 PolarHBondContact O-N 3.4Å; M61-V64 PolarHBondContact O-N 2.94Å; V64-C66 PolarHBondContact O-N 2.9Å; V64-F67 PolarHBondContact O-N 3.42Å; V64-F68 HydrophobicContact CG1-CD2 3.79Å; V64-F68 HydrophobicContact CG1-CE2 3.48Å; V64-F68 VanDerWaalsContact CG1-CE2 3.48Å; V64-F68 WeakPolarHBondContact O-CD2 3.46Å; V64-F68 PolarHBondContact O-N 3.32Å
65L94.4Very high93.1Very high106 Ų106103.3 Ų103.356%0.55553%0.529SS*.Hα-helixtrans-61.4-42.9176.1-71.9172.8000111.9M61 V62 F67 F68 N69M61-L65 WeakPolarHBondContact O-CG 3.11Å; M61-L65 PolarHBondContact O-N 3.09Å; V62-L65 PolarHBondContact O-N 3.31Å; L65-F67 PolarHBondContact O-N 3.07Å; L65-F68 PolarHBondContact O-N 3.41Å; L65-N69 WeakPolarHBondContact O-CB 3.4Å; L65-N69 PolarHBondContact O-N 3.42Å; L65-N69 PolarHBondContact O-ND2 2.84Å
66C94.8Very high92.2Very high64 Ų64105.2 Ų105.243%0.43253%0.529SS..Hα-helixtrans-58.4-46.9177-177.30000111.3V62 L63 V64 F68 N69 L70V62-C66 VanDerWaalsContact O-CB 3.29Å; V62-C66 WeakPolarHBondContact O-CB 3.4Å; V62-C66 PolarHBondContact O-N 3.25Å; L63-C66 WeakPolarHBondContact O-CB 3.41Å; L63-C66 PolarHBondContact O-N 3.07Å; V64-C66 PolarHBondContact O-N 2.9Å; C66-F68 PolarHBondContact O-N 2.99Å; C66-N69 PolarHBondContact O-N 3.41Å; C66-L70 WeakPolarHBondContact O-CG 3.1Å; C66-L70 PolarHBondContact O-N 2.83Å
67F95.3Very high91Very high133 Ų133104.6 Ų104.658%0.58353%0.532SS*.Hα-helixtrans-57.5-48.2177.7176.6-98.6000112.4L63 V64 L65 K71L63-F67 PolarHBondContact O-N 2.87Å; V64-F67 PolarHBondContact O-N 3.42Å; L65-F67 PolarHBondContact O-N 3.07Å; F67-K71 PolarHBondContact O-N 2.7Å; F67-K71 VanDerWaalsContact O-N 3.11Å
68F94.5Very high89.4Confident124 Ų124105.6 Ų105.654%0.54454%0.543SS..Hα-helixtrans-67-38.9178.6-72-62000112.8V64 L65 C66 K71 Y72V64-F68 HydrophobicContact CG1-CD2 3.79Å; V64-F68 HydrophobicContact CG1-CE2 3.48Å; V64-F68 VanDerWaalsContact CG1-CE2 3.48Å; V64-F68 WeakPolarHBondContact O-CD2 3.46Å; V64-F68 PolarHBondContact O-N 3.32Å; L65-F68 PolarHBondContact O-N 3.41Å; C66-F68 PolarHBondContact O-N 2.99Å; F68-K71 PolarHBondContact O-N 3.21Å; F68-Y72 PolarHBondContact O-N 3.27Å
69N91.4Very high88.1Confident106 Ų106106.7 Ų106.757%0.56754%0.541SS*.Hα-helixtrans-63.4-44.7176.9-85.3-76.1000112L65 C66 K71 Y72 L73L65-N69 WeakPolarHBondContact O-CB 3.4Å; L65-N69 PolarHBondContact O-N 3.42Å; L65-N69 PolarHBondContact O-ND2 2.84Å; C66-N69 PolarHBondContact O-N 3.41Å; N69-K71 PolarHBondContact O-N 3.48Å; N69-Y72 PolarHBondContact O-N 3.44Å; N69-L73 WeakPolarHBondContact O-CB 3.37Å; N69-L73 PolarHBondContact O-N 3.25Å
70L92Very high86.6Confident102 Ų102107.2 Ų107.253%0.53454%0.544SS..Hα-helixtrans-62.2-43.3176.9-73.5172.4000111.7C66 Y72 L73 V74C66-L70 WeakPolarHBondContact O-CG 3.1Å; C66-L70 PolarHBondContact O-N 2.83Å; L70-Y72 VanDerWaalsContact C-N 3.31Å; L70-Y72 PolarHBondContact O-N 3.02Å; L70-L73 PolarHBondContact O-N 2.87Å; L70-V74 WeakPolarHBondContact O-CG2 3.27Å; L70-V74 PolarHBondContact O-N 3.27Å
71K89.9Confident85.6Confident147 Ų147104.2 Ų104.264%0.63953%0.53SS*.Hα-helixtrans-58.6-44175.9-175.6178.5179.4179.30111.7F67 F68 N69 Y75F67-K71 PolarHBondContact O-N 2.7Å; F67-K71 VanDerWaalsContact O-N 3.11Å; F68-K71 PolarHBondContact O-N 3.21Å; N69-K71 PolarHBondContact O-N 3.48Å; K71-Y75 PolarHBondContact O-N 3.36Å
72Y87.8Confident84.9Confident139 Ų139103.1 Ų103.155%0.54554%0.535SS..Hα-helixtrans-65.3-47.9177.3-174.8-86.1000111.6F68 N69 L70 V74 Y75 Y76F68-Y72 PolarHBondContact O-N 3.27Å; N69-Y72 PolarHBondContact O-N 3.44Å; L70-Y72 VanDerWaalsContact C-N 3.31Å; L70-Y72 PolarHBondContact O-N 3.02Å; Y72-V74 PolarHBondContact O-N 3.44Å; Y72-Y75 PolarHBondContact O-N 3.3Å; Y72-Y76 AromaticContact CD1-CD2 3.73Å; Y72-Y76 HydrophobicContact CD1-CD2 3.73Å; Y72-Y76 HydrophobicContact CD1-CE2 4.28Å; Y72-Y76 AromaticContact CD2-CD2 3.85Å; Y72-Y76 HydrophobicContact CD2-CD2 3.85Å; Y72-Y76 AromaticContact CD2-CE2 3.61Å; Y72-Y76 HydrophobicContact CD2-CE2 3.61Å; Y72-Y76 AromaticContact CE1-CD2 3.39Å; Y72-Y76 HydrophobicContact CE1-CD2 3.39Å; Y72-Y76 AromaticContact CE1-CE2 3.79Å; Y72-Y76 HydrophobicContact CE1-CE2 3.79Å; Y72-Y76 HydrophobicContact CE1-CG 4.01Å; Y72-Y76 AromaticContact CE2-CD2 3.55Å; Y72-Y76 HydrophobicContact CE2-CD2 3.55Å; Y72-Y76 AromaticContact CE2-CE2 3.06Å; Y72-Y76 HydrophobicContact CE2-CE2 3.06Å; Y72-Y76 AromaticContact CE2-CZ 3.87Å; Y72-Y76 AromaticContact CG-CD2 3.94Å; Y72-Y76 HydrophobicContact CG-CD2 3.94Å; Y72-Y76 HydrophobicContact CG-CE2 4.19Å; Y72-Y76 AromaticContact CZ-CD2 3.29Å; Y72-Y76 AromaticContact CZ-CE2 3.14Å; Y72-Y76 AromaticContact CZ-CZ 3.78Å; Y72-Y76 WeakPolarHBondContact O-CD2 3.39Å; Y72-Y76 PolarHBondContact O-N 3.32Å; Y72-Y76 WeakPolarHBondContact OH-CE2 3.31Å
73L85.3Confident84.6Confident108 Ų108101.3 Ų101.357%0.56552%0.522SS*.Hα-helixtrans-58-47.9-179.3-173.9154.8000111.4N69 L70 Y75 Y76 S77N69-L73 WeakPolarHBondContact O-CB 3.37Å; N69-L73 PolarHBondContact O-N 3.25Å; L70-L73 PolarHBondContact O-N 2.87Å; L73-Y75 VanDerWaalsContact C-N 3.33Å; L73-Y75 PolarHBondContact O-N 2.98Å; L73-Y76 PolarHBondContact O-N 3.43Å; L73-S77 WeakPolarHBondContact O-CB 3.19Å; L73-S77 PolarHBondContact O-N 3.24Å; L73-S77 PolarHBondContact O-OG 2.96Å
74V84.6Confident84.5Confident91 Ų9198.3 Ų98.355%0.55251%0.509SS*.Hα-helixtrans-59.7-45.5178.8172.30000110.7L70 Y72 Y76 S77L70-V74 WeakPolarHBondContact O-CG2 3.27Å; L70-V74 PolarHBondContact O-N 3.27Å; Y72-V74 PolarHBondContact O-N 3.44Å; V74-Y76 PolarHBondContact O-N 3.23Å; V74-S77 PolarHBondContact O-OG 3.2Å
75Y82.4Confident84.5Confident145 Ų14595.7 Ų95.757%0.56949%0.494SS*.Hα-helixtrans-60.1-44.7179-177.5-95.2000112.7K71 Y72 L73 F79K71-Y75 PolarHBondContact O-N 3.36Å; Y72-Y75 PolarHBondContact O-N 3.3Å; L73-Y75 VanDerWaalsContact C-N 3.33Å; L73-Y75 PolarHBondContact O-N 2.98Å; Y75-F79 HydrophobicContact CD1-CE2 4.03Å; Y75-F79 AromaticContact CE1-CE2 3.77Å; Y75-F79 HydrophobicContact CE1-CE2 3.77Å; Y75-F79 HydrophobicContact CE1-CZ 4.05Å; Y75-F79 VanDerWaalsContact O-CD2 3.31Å; Y75-F79 WeakPolarHBondContact O-CD2 3.46Å; Y75-F79 VanDerWaalsContact O-CE2 3.24Å; Y75-F79 WeakPolarHBondContact O-CE2 3.24Å
76Y77.6Confident84.7Confident118 Ų11894.2 Ų94.246%0.46348%0.483SS..Hα-helixtrans-82.6-27.6-177.4-79.7-85000114.2Y72 L73 V74 S78 F79Y72-Y76 AromaticContact CD1-CD2 3.73Å; Y72-Y76 HydrophobicContact CD1-CD2 3.73Å; Y72-Y76 HydrophobicContact CD1-CE2 4.28Å; Y72-Y76 AromaticContact CD2-CD2 3.85Å; Y72-Y76 HydrophobicContact CD2-CD2 3.85Å; Y72-Y76 AromaticContact CD2-CE2 3.61Å; Y72-Y76 HydrophobicContact CD2-CE2 3.61Å; Y72-Y76 AromaticContact CE1-CD2 3.39Å; Y72-Y76 HydrophobicContact CE1-CD2 3.39Å; Y72-Y76 AromaticContact CE1-CE2 3.79Å; Y72-Y76 HydrophobicContact CE1-CE2 3.79Å; Y72-Y76 HydrophobicContact CE1-CG 4.01Å; Y72-Y76 AromaticContact CE2-CD2 3.55Å; Y72-Y76 HydrophobicContact CE2-CD2 3.55Å; Y72-Y76 AromaticContact CE2-CE2 3.06Å; Y72-Y76 HydrophobicContact CE2-CE2 3.06Å; Y72-Y76 AromaticContact CE2-CZ 3.87Å; Y72-Y76 AromaticContact CG-CD2 3.94Å; Y72-Y76 HydrophobicContact CG-CD2 3.94Å; Y72-Y76 HydrophobicContact CG-CE2 4.19Å; Y72-Y76 AromaticContact CZ-CD2 3.29Å; Y72-Y76 AromaticContact CZ-CE2 3.14Å; Y72-Y76 AromaticContact CZ-CZ 3.78Å; Y72-Y76 WeakPolarHBondContact O-CD2 3.39Å; Y72-Y76 PolarHBondContact O-N 3.32Å; Y72-Y76 WeakPolarHBondContact OH-CE2 3.31Å; L73-Y76 PolarHBondContact O-N 3.43Å; V74-Y76 PolarHBondContact O-N 3.23Å; Y76-S78 PolarHBondContact O-N 2.83Å; Y76-F79 HydrophobicContact CD1-CD2 4.41Å; Y76-F79 HydrophobicContact CD1-CE2 4.47Å; Y76-F79 PolarHBondContact O-N 3.44Å
77S71.4Confident84.8Confident80 Ų8091.1 Ų91.156%0.55946%0.462SS*.Hα-helixtrans-63.4-25.3179.8680000113.6L73 V74 F79L73-S77 WeakPolarHBondContact O-CB 3.19Å; L73-S77 PolarHBondContact O-N 3.24Å; L73-S77 PolarHBondContact O-OG 2.96Å; V74-S77 PolarHBondContact O-OG 3.2Å; S77-F79 VanDerWaalsContact C-N 3.29Å; S77-F79 PolarHBondContact O-N 3.32Å
78S62.6Low85Confident99 Ų9986.2 Ų86.269%0.69244%0.441SS*.THydrogen-bonded Turntrans-81.30.1179.5-56.60000114.6Y76 C80Y76-S78 PolarHBondContact O-N 2.83Å; S78-C80 PolarHBondContact O-N 3.12Å; S78-C80 VanDerWaalsContact O-N 3.12Å
79F66.7Low85.1Confident88 Ų8880.3 Ų80.339%0.38642%0.415SS..  trans-83.785.4-179.9-78.6-94.4000111.9Y75 Y76 S77 F81Y75-F79 HydrophobicContact CD1-CE2 4.03Å; Y75-F79 AromaticContact CE1-CE2 3.77Å; Y75-F79 HydrophobicContact CE1-CE2 3.77Å; Y75-F79 HydrophobicContact CE1-CZ 4.05Å; Y75-F79 VanDerWaalsContact O-CD2 3.31Å; Y75-F79 WeakPolarHBondContact O-CD2 3.46Å; Y75-F79 VanDerWaalsContact O-CE2 3.24Å; Y75-F79 WeakPolarHBondContact O-CE2 3.24Å; Y76-F79 HydrophobicContact CD1-CD2 4.41Å; Y76-F79 HydrophobicContact CD1-CE2 4.47Å; Y76-F79 PolarHBondContact O-N 3.44Å; S77-F79 VanDerWaalsContact C-N 3.29Å; S77-F79 PolarHBondContact O-N 3.32Å; F79-F81 HydrophobicContact CD1-CE1 4.28Å; F79-F81 HydrophobicContact CD1-CZ 4.41Å
80C65.8Low85.4Confident74 Ų7476.8 Ų76.850%0.540%0.395SS..  trans-106.2121.6153.2-65.40000108.4S78 S128 C158S78-C80 PolarHBondContact O-N 3.12Å; S78-C80 VanDerWaalsContact O-N 3.12Å; C80-S128 VanDerWaalsContact C-OG 3.26Å; C80-S128 WeakPolarHBondContact CA-OG 3.21Å; C80-S128 WeakPolarHBondContact CB-OG 3.49Å; C80-C158 WeakPolarHBondContact CB-SG 3.36Å; C80-C158 WeakPolarHBondContact SG-CB 3.38Å; C80-C158 CovalentContact SG-SG 2.07Å; C80-C158 PolarHBondContact SG-SG 2.96Å
81F75.2Confident85.6Confident74 Ų7476.1 Ų76.133%0.32539%0.39SS..  trans-73.7169173.4-60.5-63.7000113.3F79 D83 P126 Y127 S128F79-F81 HydrophobicContact CD1-CE1 4.28Å; F79-F81 HydrophobicContact CD1-CZ 4.41Å; F81-D83 PolarHBondContact O-N 2.86Å; F81-P126 HydrophobicContact CB-CB 3.84Å; F81-P126 HydrophobicContact CD1-CB 3.65Å; F81-P126 HydrophobicContact CD2-CB 4.02Å; F81-P126 HydrophobicContact CE1-CB 4.17Å; F81-P126 HydrophobicContact CE2-CB 4.5Å; F81-P126 HydrophobicContact CG-CB 3.58Å; F81-Y127 WeakPolarHBondContact CD2-O 3.49Å; F81-S128 WeakPolarHBondContact CA-OG 3.47Å; F81-S128 PolarHBondContact N-OG 2.69Å; F81-S128 PolarHBondContact O-OG 2.86Å
82S81.3Confident85.8Confident97 Ų9772.4 Ų72.468%0.67837%0.372SS*.SBendtrans-70.9-22.5-168.150.80000116.1P84S82-P84 WeakPolarHBondContact O-CD 3.48Å
83D90.5Very high86.2Confident56 Ų5668.5 Ų68.530%0.29936%0.356SS..EExtended strand (participates in β ladder)trans-108.192.7-175.7-72.5-36.2000111.4F81 Y127 S128F81-D83 PolarHBondContact O-N 2.86Å; D83-Y127 HydrophobicContact CB-CD1 3.71Å; D83-Y127 HydrophobicContact CB-CE1 4.03Å; D83-Y127 WeakPolarHBondContact O-CA 3.4Å; D83-S128 PolarHBondContact O-N 3.3Å
84P94.6Very high86.8Confident57 Ų5763.3 Ų63.337%0.3733%0.329SS..EExtended strand (participates in β ladder)trans-72.5136.2179.430-34.9000111.4S82 S99 S128 L130S82-P84 WeakPolarHBondContact O-CD 3.48Å; P84-S99 WeakPolarHBondContact O-CB 3.18Å; P84-S99 PolarHBondContact O-N 3.44Å; P84-S128 CarbonylContact C-O 3.47Å; P84-S128 VanDerWaalsContact CA-O 3.31Å; P84-S128 WeakPolarHBondContact CA-O 3.39Å; P84-L130 HydrophobicContact CB-CD1 3.85Å; P84-L130 HydrophobicContact CB-CG 4.3Å
85V96.8Very high87.5Confident1 Ų159.7 Ų59.71%0.00631%0.308CS..EExtended strand (participates in β ladder)trans-126.9112.9169.4175.90000106.7V87 E97 L119 L121 Y127 S128 L129 L130V85-V87 HydrophobicContact CG1-CG2 4.46Å; V85-E97 CarbonylContact C-O 3.56Å; V85-E97 WeakPolarHBondContact CA-O 3.07Å; V85-L119 HydrophobicContact CG1-CD1 3.88Å; V85-L121 HydrophobicContact CG2-CD2 4.11Å; V85-Y127 HydrophobicContact CG2-CD1 3.73Å; V85-Y127 HydrophobicContact CG2-CE1 4.28Å; V85-Y127 HydrophobicContact CG2-CG 4.49Å; V85-S128 PolarHBondContact N-O 3.16Å; V85-L129 HydrophobicContact CB-CD2 3.77Å; V85-L129 HydrophobicContact CG1-CD2 4.15Å; V85-L129 HydrophobicContact CG2-CD2 4.45Å; V85-L129 CarbonylContact O-C 3.55Å; V85-L129 VanDerWaalsContact O-CA 3.29Å; V85-L129 WeakPolarHBondContact O-CA 3.15Å; V85-L130 PolarHBondContact O-N 2.7Å
86K97.4Very high88.3Confident75 Ų7552.9 Ų52.933%0.32628%0.281SS..EExtended strand (participates in β ladder)trans-82.8130.1179174.3179.8175-172.20109.7M88 Y96 E97 L130K86-M88 HydrophobicContact CD-CG 4.37Å; K86-M88 HydrophobicContact CD-SD 4.32Å; K86-M88 WeakPolarHBondContact CE-SD 3.17Å; K86-M88 HydrophobicContact CG-CG 4.05Å; K86-M88 HydrophobicContact CG-SD 4.26Å; K86-Y96 WeakPolarHBondContact O-CA 3.43Å; K86-E97 HydrophobicContact CB-CB 4.06Å; K86-E97 HydrophobicContact CB-CG 4.49Å; K86-E97 PolarHBondContact N-O 2.81Å; K86-E97 IonicContact NZ-OE2 2.69Å; K86-E97 PolarHBondContact O-N 2.82Å; K86-L130 CarbonylContact C-O 3.49Å; K86-L130 WeakPolarHBondContact CA-O 3.08Å; K86-L130 HydrophobicContact CB-CB 4.33Å
87V98.2Very high89.2Confident0 Ų050.1 Ų50.10%027%0.272CS..EExtended strand (participates in β ladder)trans-120.4119.6-179.2-177.80000107.9V85 W94 Y96 L119 L129 L130 V131 T132 F140V85-V87 HydrophobicContact CG1-CG2 4.46Å; V87-W94 HydrophobicContact CG1-CE3 3.78Å; V87-W94 HydrophobicContact CG1-CZ3 4.08Å; V87-Y96 HydrophobicContact CB-CD1 4.38Å; V87-Y96 HydrophobicContact CB-CE1 4.48Å; V87-Y96 HydrophobicContact CG1-CD1 4.09Å; V87-Y96 HydrophobicContact CG1-CE1 3.76Å; V87-Y96 HydrophobicContact CG2-CD1 4.03Å; V87-Y96 HydrophobicContact CG2-CE1 4.21Å; V87-L119 HydrophobicContact CG2-CD2 4.49Å; V87-L129 HydrophobicContact CG2-CB 4.45Å; V87-L130 PolarHBondContact N-O 3.41Å; V87-V131 HydrophobicContact CB-CG2 4.18Å; V87-V131 WeakPolarHBondContact O-CA 3.35Å; V87-T132 PolarHBondContact O-N 3.19Å; V87-F140 HydrophobicContact CG1-CD2 3.4Å; V87-F140 VanDerWaalsContact CG1-CD2 3.4Å; V87-F140 HydrophobicContact CG1-CE2 3.7Å; V87-F140 HydrophobicContact CG1-CG 4.16Å
88M98.2Very high90.4Very high30 Ų3048.2 Ų48.215%0.14826%0.256CS..EExtended strand (participates in β ladder)trans-120.3119.1-173.3-70.1-69.6-4600109.5K86 H90 S95 T132K86-M88 HydrophobicContact CD-CG 4.37Å; K86-M88 HydrophobicContact CD-SD 4.32Å; K86-M88 WeakPolarHBondContact CE-SD 3.17Å; K86-M88 HydrophobicContact CG-CG 4.05Å; K86-M88 HydrophobicContact CG-SD 4.26Å; M88-H90 PolarHBondContact O-CD2 3.2Å; M88-S95 WeakPolarHBondContact CB-OG 3.22Å; M88-S95 PolarHBondContact N-O 2.8Å; M88-S95 PolarHBondContact O-N 3.49Å; M88-S95 PolarHBondContact O-OG 2.92Å; M88-T132 VanDerWaalsContact CA-O 3.3Å; M88-T132 WeakPolarHBondContact CA-O 3.37Å; M88-T132 HydrophobicContact CE-CG2 3.83Å; M88-T132 HydrophobicContact SD-CG2 3.08Å; M88-T132 WeakPolarHBondContact SD-CG2 3.14Å
89G98.1Very high91.8Very high0 Ų046.9 Ų46.90%025%0.246CC..EExtended strand (participates in β ladder)trans-79.4142.5170.400000112.1T132 S133 S134G89-T132 PolarHBondContact N-O 2.99Å; G89-S133 PolarHBondContact O-OG 2.96Å; G89-S134 PolarHBondContact O-N 2.74Å; G89-S134 VanDerWaalsContact O-N 3.08Å; G89-S134 PolarHBondContact O-OG 3.41Å
90H97.8Very high92.9Very high31 Ų3147.2 Ų47.214%0.14426%0.26CS..EExtended strand (participates in β ladder)trans-141.2158.7172.5-56.5-99000109.1M88 W92 Y93 S95 S134 D135 H138M88-H90 PolarHBondContact O-CD2 3.2Å; H90-W92 CarbonylContact O-C 3.55Å; H90-W92 WeakPolarHBondContact O-CA 2.98Å; H90-W92 PolarHBondContact O-N 2.93Å; H90-Y93 HydrophobicContact CB-CD1 3.86Å; H90-Y93 HydrophobicContact CB-CD2 4.31Å; H90-Y93 HydrophobicContact CB-CE1 3.54Å; H90-Y93 HydrophobicContact CB-CE2 4.04Å; H90-Y93 HydrophobicContact CB-CG 4.23Å; H90-Y93 AromaticContact CD2-CE2 3.58Å; H90-Y93 AromaticContact CD2-CZ 3.89Å; H90-Y93 AromaticContact CG-CE2 3.81Å; H90-Y93 AromaticContact CG-CZ 3.62Å; H90-Y93 PolarHBondContact N-O 3.38Å; H90-Y93 PolarHBondContact O-N 2.69Å; H90-Y93 VanDerWaalsContact O-O 3.07Å; H90-S95 PolarHBondContact CD2-OG 3.39Å; H90-S95 PolarHBondContact NE2-OG 2.71Å; H90-S134 PolarHBondContact CE1-OG 2.97Å; H90-S134 WeakPolarHBondContact ND1-CB 3.41Å; H90-S134 PolarHBondContact ND1-OG 2.69Å; H90-D135 WeakPolarHBondContact CA-OD2 3.38Å; H90-H138 PolarHBondContact O-CE1 2.57Å
91Q96.4Very high94.2Very high89 Ų8946 Ų4642%0.41626%0.26SS..THydrogen-bonded Turntrans-74.1109.4166.2-69.8-178-2600110.2D135 V136 C177Q91-D135 WeakPolarHBondContact CB-OD2 3.3Å; Q91-D135 WeakPolarHBondContact CG-OD2 3.38Å; Q91-D135 PolarHBondContact N-OD2 3.22Å; Q91-V136 HydrophobicContact CG-CG2 4.04Å; Q91-C177 PolarHBondContact NE2-O 2.78Å
92W93.1Very high95.1Very high69 Ų6944.7 Ų44.726%0.26126%0.263SS..THydrogen-bonded Turncis-125.766.8-8.3-5397.8000108.7H90 C177 V179 G180 H181 M184H90-W92 CarbonylContact O-C 3.55Å; H90-W92 WeakPolarHBondContact O-CA 2.98Å; H90-W92 PolarHBondContact O-N 2.93Å; W92-C177 HydrophobicContact CH2-CB 4.37Å; W92-C177 WeakPolarHBondContact CH2-O 3.12Å; W92-C177 HydrophobicContact CZ3-CB 3.61Å; W92-C177 WeakPolarHBondContact CZ3-SG 3.21Å; W92-V179 HydrophobicContact CZ2-CB 4.37Å; W92-V179 VanDerWaalsContact CZ2-N 3.31Å; W92-G180 VanDerWaalsContact CG-CA 3.44Å; W92-H181 VanDerWaalsContact CE3-N 3.35Å; W92-H181 HydrophobicContact CZ3-CB 4.39Å; W92-M184 VanDerWaalsContact C-CB 3.49Å; W92-M184 HydrophobicContact CB-CB 4.04Å; W92-M184 HydrophobicContact CB-CG 4.48Å; W92-M184 HydrophobicContact CB-SD 4.45Å; W92-M184 HydrophobicContact CE3-SD 3.7Å; W92-M184 HydrophobicContact CZ3-SD 4.47Å; W92-M184 VanDerWaalsContact O-CB 3.29Å; W92-M184 WeakPolarHBondContact O-CB 3.34Å
93Y96.6Very high95.9Very high56 Ų5646.7 Ų46.722%0.2226%0.259CS..EExtended strand (participates in β ladder)trans-151.7167.3-177.268.2-85.4000110.7H90 D105 S106 F107H90-Y93 HydrophobicContact CB-CD1 3.86Å; H90-Y93 HydrophobicContact CB-CD2 4.31Å; H90-Y93 HydrophobicContact CB-CE1 3.54Å; H90-Y93 HydrophobicContact CB-CE2 4.04Å; H90-Y93 HydrophobicContact CB-CG 4.23Å; H90-Y93 AromaticContact CD2-CE2 3.58Å; H90-Y93 AromaticContact CD2-CZ 3.89Å; H90-Y93 AromaticContact CG-CE2 3.81Å; H90-Y93 AromaticContact CG-CZ 3.62Å; H90-Y93 PolarHBondContact N-O 3.38Å; H90-Y93 PolarHBondContact O-N 2.69Å; H90-Y93 VanDerWaalsContact O-O 3.07Å; Y93-D105 HydrophobicContact CD2-CB 4.06Å; Y93-D105 HydrophobicContact CE2-CB 4.03Å; Y93-S106 WeakPolarHBondContact CB-O 3.22Å; Y93-F107 HydrophobicContact CD1-CD1 4.24Å; Y93-F107 AromaticContact CD1-CE1 3.59Å; Y93-F107 HydrophobicContact CD1-CE1 3.59Å; Y93-F107 HydrophobicContact CD1-CZ 4.42Å; Y93-F107 HydrophobicContact CD2-CD1 4.35Å; Y93-F107 AromaticContact CD2-CE1 3.74Å; Y93-F107 HydrophobicContact CD2-CE1 3.74Å; Y93-F107 AromaticContact CD2-CZ 3.95Å; Y93-F107 HydrophobicContact CD2-CZ 3.95Å; Y93-F107 HydrophobicContact CE1-CE1 4.07Å; Y93-F107 HydrophobicContact CE2-CE1 4.19Å; Y93-F107 HydrophobicContact CE2-CZ 4.12Å; Y93-F107 AromaticContact CG-CD1 3.84Å; Y93-F107 HydrophobicContact CG-CD1 3.84Å; Y93-F107 AromaticContact CG-CE1 3.41Å; Y93-F107 HydrophobicContact CG-CE1 3.41Å; Y93-F107 VanDerWaalsContact CG-CE1 3.41Å; Y93-F107 HydrophobicContact CG-CZ 4.12Å
94W98.1Very high96.3Very high0 Ų046.3 Ų46.30%025%0.254CS..EExtended strand (participates in β ladder)trans-114.3144.8178.9-66.291.6000110V87 Y96 S106 H138 F140 A151 M184 M186V87-W94 HydrophobicContact CG1-CE3 3.78Å; V87-W94 HydrophobicContact CG1-CZ3 4.08Å; W94-Y96 HydrophobicContact CB-CE1 4.39Å; W94-Y96 HydrophobicContact CB-CE2 4.37Å; W94-S106 PolarHBondContact N-O 2.07Å; W94-S106 WeakPolarHBondContact O-CA 3.15Å; W94-S106 WeakPolarHBondContact O-CB 3.42Å; W94-S106 PolarHBondContact O-N 3.08Å; W94-H138 HydrophobicContact CH2-CB 3.81Å; W94-H138 HydrophobicContact CZ2-CB 4.18Å; W94-F140 HydrophobicContact CD2-CD2 4.38Å; W94-F140 HydrophobicContact CE3-CD2 4Å; W94-F140 HydrophobicContact CH2-CB 3.95Å; W94-F140 HydrophobicContact CH2-CD2 4.33Å; W94-F140 HydrophobicContact CZ3-CB 4.06Å; W94-F140 AromaticContact CZ3-CD2 3.97Å; W94-F140 HydrophobicContact CZ3-CD2 3.97Å; W94-A151 HydrophobicContact CH2-CB 4.29Å; W94-A151 HydrophobicContact CZ3-CB 4.25Å; W94-M184 VanDerWaalsContact CE2-CE 3.43Å; W94-M184 HydrophobicContact CH2-CE 4.34Å; W94-M184 HydrophobicContact CZ2-CE 3.29Å; W94-M184 PolarHBondContact NE1-O 2.77Å; W94-M184 VanDerWaalsContact NE1-O 3.09Å; W94-M186 HydrophobicContact CD2-CE 3.5Å; W94-M186 VanDerWaalsContact CD2-CE 3.5Å; W94-M186 HydrophobicContact CE3-CE 4.03Å; W94-M186 HydrophobicContact CG-CE 4.07Å; W94-M186 HydrophobicContact CH2-CE 3.68Å; W94-M186 HydrophobicContact CZ2-CE 3.1Å; W94-M186 HydrophobicContact CZ3-CE 4.11Å; W94-M186 VanDerWaalsContact NE1-CE 3.27Å
95S98.4Very high96.4Very high14 Ų1446.6 Ų46.610%0.09825%0.252CS..EExtended strand (participates in β ladder)trans-124.8143.7172.556.80000110.3M88 H90 Y104 D105M88-S95 WeakPolarHBondContact CB-OG 3.22Å; M88-S95 PolarHBondContact N-O 2.8Å; M88-S95 PolarHBondContact O-N 3.49Å; M88-S95 PolarHBondContact O-OG 2.92Å; H90-S95 PolarHBondContact CD2-OG 3.39Å; H90-S95 PolarHBondContact NE2-OG 2.71Å; S95-Y104 WeakPolarHBondContact CA-O 3.31Å; S95-D105 WeakPolarHBondContact CB-OD1 3.38Å
96Y98.3Very high96.4Very high3 Ų346.6 Ų46.61%0.01225%0.252CS..EExtended strand (participates in β ladder)trans-123.9136.1-173.2-55.8-65.5000110K86 V87 W94 K103 Y104 L119 F140K86-Y96 WeakPolarHBondContact O-CA 3.43Å; V87-Y96 HydrophobicContact CB-CD1 4.38Å; V87-Y96 HydrophobicContact CB-CE1 4.48Å; V87-Y96 HydrophobicContact CG1-CD1 4.09Å; V87-Y96 HydrophobicContact CG1-CE1 3.76Å; V87-Y96 HydrophobicContact CG2-CD1 4.03Å; V87-Y96 HydrophobicContact CG2-CE1 4.21Å; W94-Y96 HydrophobicContact CB-CE1 4.39Å; W94-Y96 HydrophobicContact CB-CE2 4.37Å; Y96-K103 WeakPolarHBondContact O-CA 3.13Å; Y96-Y104 HydrophobicContact CD2-CD2 4.19Å; Y96-Y104 AromaticContact CD2-CE2 3.53Å; Y96-Y104 HydrophobicContact CD2-CE2 3.53Å; Y96-Y104 AromaticContact CD2-CZ 3.96Å; Y96-Y104 HydrophobicContact CE2-CE2 4.38Å; Y96-Y104 HydrophobicContact CG-CE2 4.36Å; Y96-Y104 PolarHBondContact N-O 3.07Å; Y96-Y104 PolarHBondContact O-N 3.28Å; Y96-L119 HydrophobicContact CD1-CB 4.21Å; Y96-L119 HydrophobicContact CD1-CD1 3.98Å; Y96-L119 HydrophobicContact CD1-CD2 4.03Å; Y96-L119 HydrophobicContact CD1-CG 4.29Å; Y96-L119 HydrophobicContact CD2-CB 4.22Å; Y96-L119 HydrophobicContact CE1-CB 3.92Å; Y96-L119 HydrophobicContact CE1-CD1 4.48Å; Y96-L119 HydrophobicContact CE1-CD2 3.87Å; Y96-L119 HydrophobicContact CE1-CG 4.29Å; Y96-L119 HydrophobicContact CE2-CB 3.91Å; Y96-L119 HydrophobicContact CG-CB 4.35Å; Y96-L119 HydrophobicContact CG-CD1 4.01Å; Y96-F140 HydrophobicContact CE1-CE2 4.03Å
97E97.8Very high96.4Very high60 Ų6047.1 Ų47.128%0.2826%0.255SS..EExtended strand (participates in β ladder)trans-125.3111.3172.5166.3172.4-168.800108.3V85 K86 A102 K103V85-E97 CarbonylContact C-O 3.56Å; V85-E97 WeakPolarHBondContact CA-O 3.07Å; K86-E97 HydrophobicContact CB-CB 4.06Å; K86-E97 HydrophobicContact CB-CG 4.49Å; K86-E97 PolarHBondContact N-O 2.81Å; K86-E97 IonicContact NZ-OE2 2.69Å; K86-E97 PolarHBondContact O-N 2.82Å; E97-A102 WeakPolarHBondContact CA-O 3.31Å; E97-K103 HydrophobicContact CB-CD 4.49Å; E97-K103 HydrophobicContact CB-CG 3.98Å; E97-K103 HydrophobicContact CG-CD 4.27Å; E97-K103 HydrophobicContact CG-CG 3.94Å; E97-K103 WeakPolarHBondContact OE1-CE 3.45Å; E97-K103 IonicContact OE1-NZ 3.35Å; E97-K103 PolarHBondContact OE1-NZ 2.85Å; E97-K103 WeakPolarHBondContact OE2-CE 3.47Å; E97-K103 IonicContact OE2-NZ 3.68Å; E97-K103 PolarHBondContact OE2-NZ 3.24Å
98L96Very high96.2Very high40 Ų4049.9 Ų49.921%0.20927%0.268CS..  trans-85.7159.2-176.9-7575.5000110.7S100 G101 A102 Y104L98-S100 PolarHBondContact O-N 2.87Å; L98-S100 VanDerWaalsContact O-N 3.09Å; L98-G101 PolarHBondContact O-N 3.31Å; L98-A102 PolarHBondContact N-O 3.4Å; L98-Y104 HydrophobicContact CD1-CD1 4.33Å; L98-Y104 HydrophobicContact CD1-CE1 3.5Å
99S91.6Very high95.9Very high71 Ų7152 Ų5250%0.49728%0.283SS..THydrogen-bonded Turntrans-57.4-23.2173.858.40000114P84 G101P84-S99 WeakPolarHBondContact O-CB 3.18Å; P84-S99 PolarHBondContact O-N 3.44Å; S99-G101 PolarHBondContact O-N 3.18Å
100S90.8Very high95.1Very high95 Ų9557 Ų5766%0.66431%0.31SS*.THydrogen-bonded Turntrans-72.1-7.117361.40000114.3L98 A102L98-S100 PolarHBondContact O-N 2.87Å; L98-S100 VanDerWaalsContact O-N 3.09Å; S100-A102 VanDerWaalsContact C-N 3.34Å
101G92.3Very high94Very high49 Ų4962.3 Ų62.351%0.50534%0.338SS..SBendtrans87.1-3-174.500000114.3L98 S99 K103L98-G101 PolarHBondContact O-N 3.31Å; S99-G101 PolarHBondContact O-N 3.18Å; G101-K103 PolarHBondContact O-N 2.83Å
102A95.4Very high93Very high46 Ų4666.6 Ų66.638%0.3836%0.361SS..  trans-67.1130.3174.800000110.9E97 L98 S100E97-A102 WeakPolarHBondContact CA-O 3.31Å; L98-A102 PolarHBondContact N-O 3.4Å; S100-A102 VanDerWaalsContact C-N 3.34Å
103K97.4Very high92.1Very high139 Ų13964.2 Ų64.260%0.60436%0.357SS*.EExtended strand (participates in β ladder)trans-125.5132178.7-58.7-174.2-170.8-148.10110.2Y96 E97 G101Y96-K103 WeakPolarHBondContact O-CA 3.13Å; E97-K103 HydrophobicContact CB-CD 4.49Å; E97-K103 HydrophobicContact CB-CG 3.98Å; E97-K103 HydrophobicContact CG-CD 4.27Å; E97-K103 HydrophobicContact CG-CG 3.94Å; E97-K103 WeakPolarHBondContact OE1-CE 3.45Å; E97-K103 IonicContact OE1-NZ 3.35Å; E97-K103 PolarHBondContact OE1-NZ 2.85Å; E97-K103 WeakPolarHBondContact OE2-CE 3.47Å; E97-K103 IonicContact OE2-NZ 3.68Å; E97-K103 PolarHBondContact OE2-NZ 3.24Å; G101-K103 PolarHBondContact O-N 2.83Å
104Y98.2Very high91.8Very high48 Ų4862.5 Ų62.519%0.18836%0.357CS..EExtended strand (participates in β ladder)trans-157.3153.6176.661.6-90.2000113.1S95 Y96 L98 K117 P118S95-Y104 WeakPolarHBondContact CA-O 3.31Å; Y96-Y104 HydrophobicContact CD2-CD2 4.19Å; Y96-Y104 AromaticContact CD2-CE2 3.53Å; Y96-Y104 HydrophobicContact CD2-CE2 3.53Å; Y96-Y104 AromaticContact CD2-CZ 3.96Å; Y96-Y104 HydrophobicContact CE2-CE2 4.38Å; Y96-Y104 HydrophobicContact CG-CE2 4.36Å; Y96-Y104 PolarHBondContact N-O 3.07Å; Y96-Y104 PolarHBondContact O-N 3.28Å; L98-Y104 HydrophobicContact CD1-CD1 4.33Å; L98-Y104 HydrophobicContact CD1-CE1 3.5Å; Y104-K117 HydrophobicContact CD2-CB 3.61Å; Y104-K117 HydrophobicContact CD2-CD 3.84Å; Y104-K117 HydrophobicContact CD2-CG 4.37Å; Y104-K117 HydrophobicContact CE2-CB 3.73Å; Y104-K117 HydrophobicContact CG-CD 4.24Å; Y104-P118 PolarHBondContact OH-O 3.23Å
105D98Very high91.7Very high63 Ų6363.4 Ų63.434%0.33736%0.362SS..EExtended strand (participates in β ladder)trans-97139.2174.8-54-31.4000110.9Y93 S95 F107 K117Y93-D105 HydrophobicContact CD2-CB 4.06Å; Y93-D105 HydrophobicContact CE2-CB 4.03Å; S95-D105 WeakPolarHBondContact CB-OD1 3.38Å; D105-F107 HydrophobicContact CB-CD2 4.21Å; D105-F107 HydrophobicContact CB-CE2 3.45Å; D105-F107 VanDerWaalsContact CB-CE2 3.45Å; D105-F107 HydrophobicContact CB-CZ 3.8Å; D105-K117 WeakPolarHBondContact O-CD 3.4Å
106S97.2Very high91.5Very high1 Ų166.2 Ų66.21%0.00738%0.376CS..EExtended strand (participates in β ladder)trans-112.2106.7179.6173.80000109.4Y93 W94 V115 N116 K117Y93-S106 WeakPolarHBondContact CB-O 3.22Å; W94-S106 PolarHBondContact N-O 2.07Å; W94-S106 WeakPolarHBondContact O-CA 3.15Å; W94-S106 WeakPolarHBondContact O-CB 3.42Å; W94-S106 PolarHBondContact O-N 3.08Å; S106-V115 WeakPolarHBondContact OG-CB 3.45Å; S106-N116 WeakPolarHBondContact CA-OD1 3.29Å; S106-K117 WeakPolarHBondContact CB-O 3.27Å; S106-K117 PolarHBondContact OG-O 2.83Å; S106-K117 VanDerWaalsContact OG-O 3.12Å
107F96Very high91.4Very high86 Ų8670.8 Ų70.838%0.37740%0.396SS..  trans-102.8150.6177.2-61.4-81.3000110.7Y93 D105 V115 N116Y93-F107 HydrophobicContact CD1-CD1 4.24Å; Y93-F107 AromaticContact CD1-CE1 3.59Å; Y93-F107 HydrophobicContact CD1-CE1 3.59Å; Y93-F107 HydrophobicContact CD1-CZ 4.42Å; Y93-F107 HydrophobicContact CD2-CD1 4.35Å; Y93-F107 AromaticContact CD2-CE1 3.74Å; Y93-F107 HydrophobicContact CD2-CE1 3.74Å; Y93-F107 AromaticContact CD2-CZ 3.95Å; Y93-F107 HydrophobicContact CD2-CZ 3.95Å; Y93-F107 HydrophobicContact CE1-CE1 4.07Å; Y93-F107 HydrophobicContact CE2-CE1 4.19Å; Y93-F107 HydrophobicContact CE2-CZ 4.12Å; Y93-F107 AromaticContact CG-CD1 3.84Å; Y93-F107 HydrophobicContact CG-CD1 3.84Å; Y93-F107 AromaticContact CG-CE1 3.41Å; Y93-F107 HydrophobicContact CG-CE1 3.41Å; Y93-F107 VanDerWaalsContact CG-CE1 3.41Å; Y93-F107 HydrophobicContact CG-CZ 4.12Å; D105-F107 HydrophobicContact CB-CD2 4.21Å; D105-F107 HydrophobicContact CB-CE2 3.45Å; D105-F107 VanDerWaalsContact CB-CE2 3.45Å; D105-F107 HydrophobicContact CB-CZ 3.8Å; F107-V115 CarbonylContact O-C 3.5Å; F107-V115 VanDerWaalsContact O-CA 3.23Å; F107-V115 WeakPolarHBondContact O-CA 3.36Å; F107-V115 WeakPolarHBondContact O-CB 3.38Å; F107-N116 PolarHBondContact N-OD1 2.92Å; F107-N116 PolarHBondContact O-N 2.99Å; F107-N116 PolarHBondContact O-OD1 2.67Å; F107-N116 VanDerWaalsContact O-OD1 3.11Å
108M94.8Very high91.4Very high57 Ų5769 Ų6928%0.28139%0.39SS..BIsolated β-bridgetrans-61136.9172.6-172.1171.7176.700111.1D110 L111 G114 Y183 P185M108-D110 WeakPolarHBondContact CE-O 3.48Å; M108-L111 VanDerWaalsContact CE-CA 3.42Å; M108-L111 HydrophobicContact CE-CD1 4.14Å; M108-G114 WeakPolarHBondContact CA-O 3.37Å; M108-Y183 HydrophobicContact CE-CD1 4.15Å; M108-Y183 VanDerWaalsContact SD-CA 3.59Å; M108-Y183 HydrophobicContact SD-CD1 4.18Å; M108-Y183 VanDerWaalsContact SD-O 3.41Å; M108-P185 HydrophobicContact CB-CG 4.17Å; M108-P185 HydrophobicContact CG-CG 3.85Å; M108-P185 HydrophobicContact SD-CG 4.27Å
109T91Very high91.5Very high75 Ų7567.1 Ų67.146%0.4638%0.38SS..  trans-104.1-49174.149.70000112G114 N116T109-G114 PolarHBondContact N-O 3.29Å; T109-G114 VanDerWaalsContact OG1-C 3.25Å; T109-G114 PolarHBondContact OG1-O 3.14Å; T109-N116 HydrophobicContact CG2-CB 3.65Å; T109-N116 VanDerWaalsContact CG2-N 3.34Å
110D81.1Confident91.7Very high106 Ų10670.8 Ų70.857%0.56738%0.383SS*.SBendtrans-126.4154.9-173.7-57.1-32.1000110.4M108 M112 G113M108-D110 WeakPolarHBondContact CE-O 3.48Å; D110-M112 PolarHBondContact O-N 3.27Å; D110-M112 VanDerWaalsContact O-N 3.07Å; D110-G113 PolarHBondContact O-N 3.45Å
111L74.6Confident91.9Very high141 Ų14166.3 Ų66.374%0.73835%0.351SS*.THydrogen-bonded Turntrans-59.4-21.4176.3-154.173.7000113.2M108 G113 Y183M108-L111 VanDerWaalsContact CE-CA 3.42Å; M108-L111 HydrophobicContact CE-CD1 4.14Å; L111-G113 PolarHBondContact O-N 2.93Å; L111-Y183 HydrophobicContact CD1-CD1 4.25Å; L111-Y183 HydrophobicContact CD1-CE1 3.84Å
112M75.4Confident92Very high180 Ų18066.7 Ų66.789%0.88734%0.342SS*.THydrogen-bonded Turntrans-8628.8-178-67.4-74.2166.600113.7D110 G114D110-M112 PolarHBondContact O-N 3.27Å; D110-M112 VanDerWaalsContact O-N 3.07Å; M112-G114 PolarHBondContact O-N 3.16Å
113G75.9Confident92Very high18 Ų1865.3 Ų65.319%0.18633%0.328CS..THydrogen-bonded Turntrans78.114.8173.100000115.5D110 L111 V187D110-G113 PolarHBondContact O-N 3.45Å; L111-G113 PolarHBondContact O-N 2.93Å; G113-V187 WeakPolarHBondContact O-CG2 3.44Å
114G89.3Confident91.8Very high21 Ų2164.2 Ų64.222%0.21632%0.323CS..  trans-75.215017400000112.3M108 T109 M112M108-G114 WeakPolarHBondContact CA-O 3.37Å; T109-G114 PolarHBondContact N-O 3.29Å; T109-G114 VanDerWaalsContact OG1-C 3.25Å; T109-G114 PolarHBondContact OG1-O 3.14Å; M112-G114 PolarHBondContact O-N 3.16Å
115V95.5Very high91.5Very high19 Ų1962.8 Ų62.812%0.11532%0.319CS..BIsolated β-bridgetrans-130.3153.3171.8-59.80000110.9S106 F107 P118 P185 V187S106-V115 WeakPolarHBondContact OG-CB 3.45Å; F107-V115 CarbonylContact O-C 3.5Å; F107-V115 VanDerWaalsContact O-CA 3.23Å; F107-V115 WeakPolarHBondContact O-CA 3.36Å; F107-V115 WeakPolarHBondContact O-CB 3.38Å; V115-P118 HydrophobicContact CG2-CB 4.17Å; V115-P185 HydrophobicContact CG1-CB 4.38Å; V115-P185 HydrophobicContact CG1-CG 3.89Å; V115-P185 VanDerWaalsContact CG1-O 3.28Å; V115-P185 WeakPolarHBondContact CG1-O 3.32Å; V115-V187 HydrophobicContact CB-CG2 4.32Å; V115-V187 HydrophobicContact CG1-CG2 4.03Å; V115-V187 HydrophobicContact CG2-CB 3.57Å; V115-V187 HydrophobicContact CG2-CG2 3.59Å
116N95.4Very high91.2Very high73 Ų7361.8 Ų61.839%0.3932%0.316SS..SBendtrans-70.6-32.7-179.866.1-18.5000112.8S106 F107 T109S106-N116 WeakPolarHBondContact CA-OD1 3.29Å; F107-N116 PolarHBondContact N-OD1 2.92Å; F107-N116 PolarHBondContact O-N 2.99Å; F107-N116 PolarHBondContact O-OD1 2.67Å; F107-N116 VanDerWaalsContact O-OD1 3.11Å; T109-N116 HydrophobicContact CG2-CB 3.65Å; T109-N116 VanDerWaalsContact CG2-N 3.34Å
117K96.6Very high91.1Very high98 Ų9862.8 Ų62.843%0.42632%0.32SS..SBendtrans-137.189.9-176.1-62.3-174.8-164.1163.30110.3Y104 D105 S106Y104-K117 HydrophobicContact CD2-CB 3.61Å; Y104-K117 HydrophobicContact CD2-CD 3.84Å; Y104-K117 HydrophobicContact CD2-CG 4.37Å; Y104-K117 HydrophobicContact CE2-CB 3.73Å; Y104-K117 HydrophobicContact CG-CD 4.24Å; D105-K117 WeakPolarHBondContact O-CD 3.4Å; S106-K117 WeakPolarHBondContact CB-O 3.27Å; S106-K117 PolarHBondContact OG-O 2.83Å; S106-K117 VanDerWaalsContact OG-O 3.12Å
118P96.7Very high91Very high23 Ų2358.8 Ų58.815%0.14930%0.303CS..  trans-66.1157.9178.928.4-35.2000111.7Y104 V115 R120 V187 E189Y104-P118 PolarHBondContact OH-O 3.23Å; V115-P118 HydrophobicContact CG2-CB 4.17Å; P118-R120 PolarHBondContact O-N 2.81Å; P118-V187 CarbonylContact C-O 3.48Å; P118-V187 WeakPolarHBondContact CA-O 3.37Å; P118-V187 HydrophobicContact CB-CB 3.95Å; P118-V187 HydrophobicContact CB-CG1 3.85Å; P118-V187 WeakPolarHBondContact CB-O 3.43Å; P118-E189 HydrophobicContact CB-CB 4.34Å; P118-E189 HydrophobicContact CG-CB 4.45Å
119L97.6Very high91.1Very high0 Ų056.1 Ų56.10%029%0.289CS..EExtended strand (participates in β ladder)trans-76.2108.4168.1176.358.8000109.2V85 V87 Y96 L121 F140 V187 V188 E189V85-L119 HydrophobicContact CG1-CD1 3.88Å; V87-L119 HydrophobicContact CG2-CD2 4.49Å; Y96-L119 HydrophobicContact CD1-CB 4.21Å; Y96-L119 HydrophobicContact CD1-CD1 3.98Å; Y96-L119 HydrophobicContact CD1-CD2 4.03Å; Y96-L119 HydrophobicContact CD1-CG 4.29Å; Y96-L119 HydrophobicContact CD2-CB 4.22Å; Y96-L119 HydrophobicContact CE1-CB 3.92Å; Y96-L119 HydrophobicContact CE1-CD1 4.48Å; Y96-L119 HydrophobicContact CE1-CD2 3.87Å; Y96-L119 HydrophobicContact CE1-CG 4.29Å; Y96-L119 HydrophobicContact CE2-CB 3.91Å; Y96-L119 HydrophobicContact CG-CB 4.35Å; Y96-L119 HydrophobicContact CG-CD1 4.01Å; L119-L121 HydrophobicContact CD1-CD2 4.22Å; L119-L121 HydrophobicContact CD1-CG 4.49Å; L119-L121 HydrophobicContact CD2-CD1 4.17Å; L119-L121 HydrophobicContact CD2-CG 4.46Å; L119-L121 HydrophobicContact CG-CD1 4.32Å; L119-L121 HydrophobicContact CG-CD2 4.33Å; L119-L121 HydrophobicContact CG-CG 4.09Å; L119-F140 HydrophobicContact CD2-CZ 4.36Å; L119-V187 PolarHBondContact N-O 3.27Å; L119-V188 HydrophobicContact CB-CG2 4.33Å; L119-V188 HydrophobicContact CD2-CG2 4.34Å; L119-V188 CarbonylContact O-C 3.55Å; L119-V188 VanDerWaalsContact O-CA 3.32Å; L119-V188 WeakPolarHBondContact O-CA 3.03Å; L119-E189 PolarHBondContact O-N 2.81Å
120R96.2Very high91.3Very high148 Ų14854.8 Ų54.856%0.55828%0.279SS*.EExtended strand (participates in β ladder)trans-91.5121.1179.7-72.9178.4174.4163.51111.1P118 E189P118-R120 PolarHBondContact O-N 2.81Å; R120-E189 WeakPolarHBondContact CA-O 3.32Å; R120-E189 HydrophobicContact CG-CB 4.05Å; R120-E189 HydrophobicContact CG-CG 4.46Å; R120-E189 WeakPolarHBondContact CG-OE2 3.47Å; R120-E189 IonicContact CZ-OE2 2.96Å; R120-E189 IonicContact NE-OE2 2.78Å; R120-E189 PolarHBondContact NE-OE2 3.13Å; R120-E189 IonicContact NH2-OE2 3.79Å; R120-E189 PolarHBondContact NH2-OE2 2.99Å
121L95.6Very high92.1Very high1 Ų149.7 Ų49.71%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-125.5149.5178.4-62.3176.6000110.7V85 L119 Y127 L129 L163 V188 E189 V190 V191V85-L121 HydrophobicContact CG2-CD2 4.11Å; L119-L121 HydrophobicContact CD1-CD2 4.22Å; L119-L121 HydrophobicContact CD1-CG 4.49Å; L119-L121 HydrophobicContact CD2-CD1 4.17Å; L119-L121 HydrophobicContact CD2-CG 4.46Å; L119-L121 HydrophobicContact CG-CD1 4.32Å; L119-L121 HydrophobicContact CG-CD2 4.33Å; L119-L121 HydrophobicContact CG-CG 4.09Å; L121-Y127 HydrophobicContact CB-CD2 4.3Å; L121-Y127 HydrophobicContact CB-CE2 3.9Å; L121-Y127 HydrophobicContact CD2-CD1 4.12Å; L121-Y127 HydrophobicContact CD2-CD2 4.02Å; L121-Y127 HydrophobicContact CD2-CE1 4.08Å; L121-Y127 HydrophobicContact CD2-CE2 3.96Å; L121-Y127 HydrophobicContact CD2-CG 4.09Å; L121-Y127 HydrophobicContact CG-CD2 4.5Å; L121-Y127 HydrophobicContact CG-CE2 4.43Å; L121-L129 HydrophobicContact CD1-CD2 4.37Å; L121-L163 HydrophobicContact CB-CD1 3.83Å; L121-L163 HydrophobicContact CD1-CD1 3.76Å; L121-L163 HydrophobicContact CG-CD1 4.43Å; L121-V188 HydrophobicContact CD1-CG1 4.09Å; L121-E189 PolarHBondContact N-O 2.94Å; L121-V190 WeakPolarHBondContact O-CA 3.06Å; L121-V191 PolarHBondContact O-N 2.84Å
122L95Very high93.2Very high57 Ų5743.6 Ų43.630%0.29822%0.221SC..EExtended strand (participates in β ladder)trans-85.3138.2178.9-59.6-179.4000111.3V125 Y127 V191 N193L122-V125 HydrophobicContact CB-CB 4.04Å; L122-V125 HydrophobicContact CB-CG2 3.61Å; L122-V125 HydrophobicContact CD1-CG2 4.21Å; L122-V125 PolarHBondContact O-N 2.83Å; L122-Y127 HydrophobicContact CB-CE2 4.48Å; L122-Y127 WeakPolarHBondContact CB-OH 3.41Å; L122-Y127 WeakPolarHBondContact CG-OH 3.48Å; L122-Y127 PolarHBondContact N-OH 3.37Å; L122-V191 HydrophobicContact CD2-CG2 3.6Å; L122-N193 HydrophobicContact CB-CB 4.37Å
123M95.3Very high94.3Very high18 Ų1835.3 Ų35.39%0.08918%0.181CC..THydrogen-bonded Turntrans-62.4139.3174.5-166.1-176.15800111.3V125 L163 L166 V190 V191 M192 M196M123-V125 PolarHBondContact O-N 3.4Å; M123-V125 VanDerWaalsContact O-N 3.16Å; M123-L163 WeakPolarHBondContact CG-O 3.41Å; M123-L166 HydrophobicContact CB-CD2 3.98Å; M123-L166 HydrophobicContact CE-CD2 4.35Å; M123-L166 HydrophobicContact CE-CG 4.45Å; M123-L166 HydrophobicContact CG-CD2 4.34Å; M123-L166 HydrophobicContact SD-CD2 3.81Å; M123-L166 HydrophobicContact SD-CG 3.72Å; M123-V190 HydrophobicContact CB-CG1 3.91Å; M123-V190 HydrophobicContact CG-CG1 4.34Å; M123-V191 PolarHBondContact N-O 3.39Å; M123-M192 HydrophobicContact CE-CE 4.46Å; M123-M192 HydrophobicContact CE-SD 3.55Å; M123-M192 VanDerWaalsContact CE-SD 3.55Å; M123-M196 HydrophobicContact CE-CE 4.2Å
124K91.8Very high95.3Very high115 Ų11537.5 Ų37.550%0.519%0.193SC..THydrogen-bonded Turntrans58.915.8-179.8-64.3176.8-178.7179.80115.2L163 M196K124-L163 PolarHBondContact N-O 2.81Å; K124-M196 HydrophobicContact CD-CE 4.5Å; K124-M196 HydrophobicContact CD-SD 4.08Å
125V91.8Very high95.6Very high18 Ų1839.3 Ų39.311%0.10920%0.198CC..  trans-96.3131.6170.1177.40000108.7L122 M123 Y127L122-V125 HydrophobicContact CB-CB 4.04Å; L122-V125 HydrophobicContact CB-CG2 3.61Å; L122-V125 HydrophobicContact CD1-CG2 4.21Å; L122-V125 PolarHBondContact O-N 2.83Å; M123-V125 PolarHBondContact O-N 3.4Å; M123-V125 VanDerWaalsContact O-N 3.16Å; V125-Y127 HydrophobicContact CB-CD2 4.4Å; V125-Y127 HydrophobicContact CB-CE2 3.71Å; V125-Y127 HydrophobicContact CG1-CD2 4.3Å; V125-Y127 HydrophobicContact CG1-CE1 4.19Å; V125-Y127 HydrophobicContact CG1-CE2 3.74Å; V125-Y127 WeakPolarHBondContact O-CD2 3.01Å
126P92.7Very high95.7Very high43 Ų4340.8 Ų40.828%0.27921%0.207SC..EExtended strand (participates in β ladder)trans-82.5118.617933.4-34.2000110.9F81 V161F81-P126 HydrophobicContact CB-CB 3.84Å; F81-P126 HydrophobicContact CD1-CB 3.65Å; F81-P126 HydrophobicContact CD2-CB 4.02Å; F81-P126 HydrophobicContact CE1-CB 4.17Å; F81-P126 HydrophobicContact CE2-CB 4.5Å; F81-P126 HydrophobicContact CG-CB 3.58Å; P126-V161 WeakPolarHBondContact CA-O 3.46Å
127Y94.1Very high95.8Very high21 Ų2142.3 Ų42.38%0.08221%0.213CC..EExtended strand (participates in β ladder)trans-112.6146179.2-67.4-80.5000111.8F81 D83 V85 L121 L122 V125 G160 V161F81-Y127 WeakPolarHBondContact CD2-O 3.49Å; D83-Y127 HydrophobicContact CB-CD1 3.71Å; D83-Y127 HydrophobicContact CB-CE1 4.03Å; D83-Y127 WeakPolarHBondContact O-CA 3.4Å; V85-Y127 HydrophobicContact CG2-CD1 3.73Å; V85-Y127 HydrophobicContact CG2-CE1 4.28Å; V85-Y127 HydrophobicContact CG2-CG 4.49Å; L121-Y127 HydrophobicContact CB-CD2 4.3Å; L121-Y127 HydrophobicContact CB-CE2 3.9Å; L121-Y127 HydrophobicContact CD2-CD1 4.12Å; L121-Y127 HydrophobicContact CD2-CD2 4.02Å; L121-Y127 HydrophobicContact CD2-CE1 4.08Å; L121-Y127 HydrophobicContact CD2-CE2 3.96Å; L121-Y127 HydrophobicContact CD2-CG 4.09Å; L121-Y127 HydrophobicContact CG-CD2 4.5Å; L121-Y127 HydrophobicContact CG-CE2 4.43Å; L122-Y127 HydrophobicContact CB-CE2 4.48Å; L122-Y127 WeakPolarHBondContact CB-OH 3.41Å; L122-Y127 WeakPolarHBondContact CG-OH 3.48Å; L122-Y127 PolarHBondContact N-OH 3.37Å; V125-Y127 HydrophobicContact CB-CD2 4.4Å; V125-Y127 HydrophobicContact CB-CE2 3.71Å; V125-Y127 HydrophobicContact CG1-CD2 4.3Å; V125-Y127 HydrophobicContact CG1-CE1 4.19Å; V125-Y127 HydrophobicContact CG1-CE2 3.74Å; V125-Y127 WeakPolarHBondContact O-CD2 3.01Å; Y127-G160 WeakPolarHBondContact O-CA 3.15Å; Y127-V161 PolarHBondContact N-O 3.08Å; Y127-V161 PolarHBondContact O-N 2.72Å
128S94.9Very high95.9Very high3 Ų337.7 Ų37.72%0.02119%0.193CC..EExtended strand (participates in β ladder)trans-100.5103.2166.3-70.20000109.7C80 F81 D83 P84 V85 L130C80-S128 VanDerWaalsContact C-OG 3.26Å; C80-S128 WeakPolarHBondContact CA-OG 3.21Å; C80-S128 WeakPolarHBondContact CB-OG 3.49Å; F81-S128 WeakPolarHBondContact CA-OG 3.47Å; F81-S128 PolarHBondContact N-OG 2.69Å; F81-S128 PolarHBondContact O-OG 2.86Å; D83-S128 PolarHBondContact O-N 3.3Å; P84-S128 CarbonylContact C-O 3.47Å; P84-S128 VanDerWaalsContact CA-O 3.31Å; P84-S128 WeakPolarHBondContact CA-O 3.39Å; V85-S128 PolarHBondContact N-O 3.16Å; S128-L130 PolarHBondContact O-N 3.31Å
129L95.6Very high95.9Very high0 Ų036.6 Ų36.60%019%0.186CC..EExtended strand (participates in β ladder)trans-77.5110.6173.6-54-172.5000109V85 V87 L121 V131 F140 M147 C158 L159 V161V85-L129 HydrophobicContact CB-CD2 3.77Å; V85-L129 HydrophobicContact CG1-CD2 4.15Å; V85-L129 HydrophobicContact CG2-CD2 4.45Å; V85-L129 CarbonylContact O-C 3.55Å; V85-L129 VanDerWaalsContact O-CA 3.29Å; V85-L129 WeakPolarHBondContact O-CA 3.15Å; V87-L129 HydrophobicContact CG2-CB 4.45Å; L121-L129 HydrophobicContact CD1-CD2 4.37Å; L129-V131 HydrophobicContact CB-CG2 4.12Å; L129-V131 PolarHBondContact O-N 3.19Å; L129-F140 HydrophobicContact CD1-CE1 4.26Å; L129-M147 HydrophobicContact CD1-SD 4.09Å; L129-C158 CarbonylContact O-C 3.55Å; L129-C158 WeakPolarHBondContact O-CA 3.26Å; L129-L159 HydrophobicContact CB-CB 4.28Å; L129-L159 HydrophobicContact CD1-CD2 4.41Å; L129-L159 PolarHBondContact N-O 3.35Å; L129-L159 PolarHBondContact O-N 3.23Å; L129-V161 HydrophobicContact CD1-CG1 4.08Å; L129-V161 HydrophobicContact CD1-CG2 4.04Å; L129-V161 HydrophobicContact CD2-CG2 4.26Å; L129-V161 HydrophobicContact CG-CG1 4.3Å; L129-V161 HydrophobicContact CG-CG2 3.87Å
130L95.9Very high95.9Very high47 Ų4736.6 Ų36.625%0.24619%0.186CC..EExtended strand (participates in β ladder)trans-91.291.5176.9-57-179.3000108.5P84 V85 K86 V87 S128 I156 N157 C158P84-L130 HydrophobicContact CB-CD1 3.85Å; P84-L130 HydrophobicContact CB-CG 4.3Å; V85-L130 PolarHBondContact O-N 2.7Å; K86-L130 CarbonylContact C-O 3.49Å; K86-L130 WeakPolarHBondContact CA-O 3.08Å; K86-L130 HydrophobicContact CB-CB 4.33Å; V87-L130 PolarHBondContact N-O 3.41Å; S128-L130 PolarHBondContact O-N 3.31Å; L130-I156 HydrophobicContact CB-CG2 3.8Å; L130-I156 HydrophobicContact CD2-CG2 4.17Å; L130-I156 HydrophobicContact CG-CG2 4.45Å; L130-N157 CarbonylContact C-O 3.58Å; L130-C158 HydrophobicContact CD2-CB 4.1Å
131V97.3Very high96Very high0 Ų029.9 Ų29.90%016%0.161CC..EExtended strand (participates in β ladder)trans-93.4126.6-171.8-172.70000110.4V87 L129 F140 M149 A151 N157V87-V131 HydrophobicContact CB-CG2 4.18Å; V87-V131 WeakPolarHBondContact O-CA 3.35Å; L129-V131 HydrophobicContact CB-CG2 4.12Å; L129-V131 PolarHBondContact O-N 3.19Å; V131-F140 HydrophobicContact CG1-CB 3.89Å; V131-M149 HydrophobicContact CB-CB 4.3Å; V131-M149 HydrophobicContact CB-CG 3.98Å; V131-M149 HydrophobicContact CG1-CG 4.5Å; V131-M149 HydrophobicContact CG2-CB 4.04Å; V131-M149 HydrophobicContact CG2-CG 4.09Å; V131-A151 HydrophobicContact CG1-CB 3.73Å; V131-N157 PolarHBondContact N-O 2.72Å; V131-N157 PolarHBondContact O-N 3.12Å
132T98Very high96.1Very high12 Ų1229.9 Ų29.97%0.07416%0.161CC..EExtended strand (participates in β ladder)trans-156.2-178.8174-170.90000110.4V87 M88 G89 A151 V152 R155 I156V87-T132 PolarHBondContact O-N 3.19Å; M88-T132 VanDerWaalsContact CA-O 3.3Å; M88-T132 WeakPolarHBondContact CA-O 3.37Å; M88-T132 HydrophobicContact CE-CG2 3.83Å; M88-T132 HydrophobicContact SD-CG2 3.08Å; M88-T132 WeakPolarHBondContact SD-CG2 3.14Å; G89-T132 PolarHBondContact N-O 2.99Å; T132-A151 WeakPolarHBondContact O-CB 3.16Å; T132-V152 PolarHBondContact OG1-O 2.91Å; T132-R155 WeakPolarHBondContact CB-O 3.32Å; T132-R155 PolarHBondContact OG1-O 2.84Å; T132-I156 HydrophobicContact CG2-CG1 4.42Å
133S98.2Very high96Very high7 Ų729.5 Ų29.55%0.04916%0.162CC..EExtended strand (participates in β ladder)trans-130.6151.1-178.1175.70000111.5G89 D135 V136 H138 A151G89-S133 PolarHBondContact O-OG 2.96Å; S133-D135 PolarHBondContact OG-N 3.31Å; S133-D135 PolarHBondContact OG-OD1 2.83Å; S133-V136 WeakPolarHBondContact CB-O 3.5Å; S133-V136 PolarHBondContact OG-O 2.86Å; S133-H138 PolarHBondContact OG-CD2 2.89Å; S133-H138 VanDerWaalsContact OG-CD2 3.23Å; S133-A151 WeakPolarHBondContact CB-O 3.23Å
134S97.5Very high96Very high63 Ų6332.8 Ų32.844%0.44118%0.18SC..SBendtrans-88.4-22.5174.364.90000113.6G89 H90G89-S134 PolarHBondContact O-N 2.74Å; G89-S134 VanDerWaalsContact O-N 3.08Å; G89-S134 PolarHBondContact O-OG 3.41Å; H90-S134 PolarHBondContact CE1-OG 2.97Å; H90-S134 WeakPolarHBondContact ND1-CB 3.41Å; H90-S134 PolarHBondContact ND1-OG 2.69Å
135D96.5Very high96.1Very high59 Ų5928.3 Ų28.332%0.31616%0.162SC..SBendtrans-130.7-80.8-167.650.918.3000113.3H90 Q91 S133 H138 P153H90-D135 WeakPolarHBondContact CA-OD2 3.38Å; Q91-D135 WeakPolarHBondContact CB-OD2 3.3Å; Q91-D135 WeakPolarHBondContact CG-OD2 3.38Å; Q91-D135 PolarHBondContact N-OD2 3.22Å; S133-D135 PolarHBondContact OG-N 3.31Å; S133-D135 PolarHBondContact OG-OD1 2.83Å; D135-H138 IonicContact OD1-CD2 3.96Å; D135-H138 IonicContact OD1-CE1 2.72Å; D135-H138 IonicContact OD1-NE2 3.47Å; D135-H138 PolarHBondContact OD1-NE2 3.11Å; D135-P153 VanDerWaalsContact O-CG 3.23Å; D135-P153 WeakPolarHBondContact O-CG 3.05Å
136V97.3Very high96.1Very high51 Ų5136.4 Ų36.431%0.30919%0.191SC..SBendtrans-113.8173.3-177.5-630000110.7Q91 S133 H138 P153 C177Q91-V136 HydrophobicContact CG-CG2 4.04Å; S133-V136 WeakPolarHBondContact CB-O 3.5Å; S133-V136 PolarHBondContact OG-O 2.86Å; V136-H138 PolarHBondContact O-CD2 3.24Å; V136-H138 PolarHBondContact O-N 3.39Å; V136-P153 WeakPolarHBondContact O-CG 3.49Å; V136-C177 HydrophobicContact CG2-CB 3.82Å
137M97.8Very high96.2Very high105 Ų10534.5 Ų34.552%0.51718%0.179SC..  trans-68.2130.4173.3-63.8-173.9-62.100110.3V152 E175 C177M137-V152 HydrophobicContact CG-CG1 4.5Å; M137-E175 HydrophobicContact CB-CG 4.31Å; M137-C177 VanDerWaalsContact O-CB 3.27Å; M137-C177 WeakPolarHBondContact O-CB 3.27Å
138H98Very high96.3Very high1 Ų139.3 Ų39.31%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-123.5179167.4-53.9-98.4000108.9H90 W94 S133 D135 V136 A151 C177 M184H90-H138 PolarHBondContact O-CE1 2.57Å; W94-H138 HydrophobicContact CH2-CB 3.81Å; W94-H138 HydrophobicContact CZ2-CB 4.18Å; S133-H138 PolarHBondContact OG-CD2 2.89Å; S133-H138 VanDerWaalsContact OG-CD2 3.23Å; D135-H138 IonicContact OD1-CD2 3.96Å; D135-H138 IonicContact OD1-CE1 2.72Å; D135-H138 IonicContact OD1-NE2 3.47Å; D135-H138 PolarHBondContact OD1-NE2 3.11Å; V136-H138 PolarHBondContact O-CD2 3.24Å; V136-H138 PolarHBondContact O-N 3.39Å; H138-A151 HydrophobicContact CB-CB 4.01Å; H138-A151 PolarHBondContact N-O 2.88Å; H138-A151 PolarHBondContact O-N 2.83Å; H138-C177 VanDerWaalsContact ND1-CB 3.26Å; H138-C177 WeakPolarHBondContact ND1-CB 3.22Å; H138-C177 PolarHBondContact ND1-SG 3.23Å; H138-M184 HydrophobicContact CB-CE 4.3Å; H138-M184 VanDerWaalsContact ND1-CE 3.27Å; H138-M184 WeakPolarHBondContact ND1-CE 3.41Å
139S97.7Very high96.3Very high0 Ų041.2 Ų41.20%021%0.21CC..EExtended strand (participates in β ladder)trans-141.9121.3170.5165.50000110.8S141 D150 C173 S174S139-S141 PolarHBondContact O-N 2.88Å; S139-D150 PolarHBondContact OG-OD1 3.01Å; S139-C173 PolarHBondContact N-SG 3.41Å; S139-C173 VanDerWaalsContact N-SG 3.41Å; S139-C173 WeakPolarHBondContact O-CA 3.36Å; S139-S174 VanDerWaalsContact CB-OG 3.27Å; S139-S174 WeakPolarHBondContact CB-OG 3.18Å; S139-S174 PolarHBondContact O-N 3.32Å; S139-S174 PolarHBondContact OG-OG 2.74Å
140F97.8Very high96.4Very high0 Ų044.7 Ų44.70%023%0.228CC..EExtended strand (participates in β ladder)trans-81.1107.1178.1-175.3-85.9000110.1V87 W94 Y96 L119 L129 V131 V142 M147 K148 M149 M186 V188V87-F140 HydrophobicContact CG1-CD2 3.4Å; V87-F140 VanDerWaalsContact CG1-CD2 3.4Å; V87-F140 HydrophobicContact CG1-CE2 3.7Å; V87-F140 HydrophobicContact CG1-CG 4.16Å; W94-F140 HydrophobicContact CD2-CD2 4.38Å; W94-F140 HydrophobicContact CE3-CD2 4Å; W94-F140 HydrophobicContact CH2-CB 3.95Å; W94-F140 HydrophobicContact CH2-CD2 4.33Å; W94-F140 HydrophobicContact CZ3-CB 4.06Å; W94-F140 AromaticContact CZ3-CD2 3.97Å; W94-F140 HydrophobicContact CZ3-CD2 3.97Å; Y96-F140 HydrophobicContact CE1-CE2 4.03Å; L119-F140 HydrophobicContact CD2-CZ 4.36Å; L129-F140 HydrophobicContact CD1-CE1 4.26Å; V131-F140 HydrophobicContact CG1-CB 3.89Å; F140-V142 HydrophobicContact CE1-CG2 3.84Å; F140-V142 HydrophobicContact CZ-CG2 3.99Å; F140-M147 HydrophobicContact CE1-CE 4.28Å; F140-K148 CarbonylContact O-C 3.6Å; F140-K148 VanDerWaalsContact O-CA 3.22Å; F140-K148 WeakPolarHBondContact O-CA 3.47Å; F140-M149 PolarHBondContact N-O 3Å; F140-M149 PolarHBondContact O-N 3.19Å; F140-M186 HydrophobicContact CB-CE 3.95Å; F140-M186 HydrophobicContact CB-SD 4.31Å; F140-M186 HydrophobicContact CD1-SD 4.09Å; F140-M186 HydrophobicContact CD2-CE 2.97Å; F140-M186 HydrophobicContact CD2-SD 3.37Å; F140-M186 WeakPolarHBondContact CD2-SD 3.36Å; F140-M186 HydrophobicContact CE1-SD 4.21Å; F140-M186 HydrophobicContact CE2-CB 4.12Å; F140-M186 HydrophobicContact CE2-CE 3.47Å; F140-M186 VanDerWaalsContact CE2-CE 3.47Å; F140-M186 HydrophobicContact CE2-CG 4.41Å; F140-M186 HydrophobicContact CE2-SD 3.48Å; F140-M186 WeakPolarHBondContact CE2-SD 3.36Å; F140-M186 HydrophobicContact CG-CE 3.61Å; F140-M186 HydrophobicContact CG-SD 3.66Å; F140-M186 HydrophobicContact CZ-CE 4.45Å; F140-M186 HydrophobicContact CZ-SD 3.92Å; F140-V188 HydrophobicContact CZ-CG2 4.11Å
141S97.4Very high96.5Very high7 Ų742.4 Ų42.45%0.04922%0.216CC..EExtended strand (participates in β ladder)trans-130.6119-175.1-178.80000112S139 M147 G171 Y172 M186S139-S141 PolarHBondContact O-N 2.88Å; S141-M147 CarbonylContact C-O 3.6Å; S141-M147 WeakPolarHBondContact CA-O 3.49Å; S141-G171 CarbonylContact O-C 3.58Å; S141-G171 WeakPolarHBondContact O-CA 3.48Å; S141-Y172 WeakPolarHBondContact CB-O 3.42Å; S141-Y172 PolarHBondContact O-N 3.41Å; S141-M186 PolarHBondContact N-SD 3.09Å
142V96.9Very high96.5Very high0 Ų043.9 Ų43.90%023%0.225CC..EExtended strand (participates in β ladder)trans-124.787.3172.6-172.90000107.8F140 D144 L145 Y146 M147 F169 M186 V188F140-V142 HydrophobicContact CE1-CG2 3.84Å; F140-V142 HydrophobicContact CZ-CG2 3.99Å; V142-D144 VanDerWaalsContact C-N 3.33Å; V142-D144 PolarHBondContact O-N 2.93Å; V142-L145 HydrophobicContact CG1-CB 4.15Å; V142-L145 HydrophobicContact CG1-CD1 4.04Å; V142-L145 HydrophobicContact CG1-CG 4.11Å; V142-L145 PolarHBondContact O-N 2.89Å; V142-L145 VanDerWaalsContact O-N 3.07Å; V142-Y146 PolarHBondContact O-N 2.95Å; V142-M147 HydrophobicContact CB-CB 4.38Å; V142-M147 HydrophobicContact CB-CE 3.73Å; V142-M147 HydrophobicContact CG1-CE 4.18Å; V142-M147 HydrophobicContact CG2-CE 3.89Å; V142-M147 PolarHBondContact N-O 3.46Å; V142-M147 PolarHBondContact O-N 3.41Å; V142-F169 HydrophobicContact CG1-CB 3.79Å; V142-M186 HydrophobicContact CG2-CG 4.29Å; V142-M186 HydrophobicContact CG2-SD 3.9Å; V142-V188 HydrophobicContact CG2-CG2 3.89Å
143P94.6Very high96.5Very high50 Ų5045.7 Ų45.733%0.32524%0.237SC..G310 helixtrans-58.9-38.5-168.5-27.335.4000114.4L145 Y146 Y172P143-L145 PolarHBondContact O-N 2.89Å; P143-L145 VanDerWaalsContact O-N 3.16Å; P143-Y146 PolarHBondContact O-N 3.09Å; P143-Y172 HydrophobicContact CG-CE1 3.64Å
144D93.8Very high96.4Very high86 Ų8649.6 Ų49.646%0.4628%0.279SS..G310 helixtrans-65.2-19.5-179.6-72.5-21.4000113.5V142 R165 F169V142-D144 VanDerWaalsContact C-N 3.33Å; V142-D144 PolarHBondContact O-N 2.93Å; D144-R165 PolarHBondContact O-NH2 2.76Å; D144-F169 HydrophobicContact CB-CB 4.43Å; D144-F169 HydrophobicContact CB-CD1 3.51Å; D144-F169 HydrophobicContact CB-CE1 4.22Å; D144-F169 HydrophobicContact CB-CG 4.35Å
145L94.4Very high96.3Very high22 Ų2254 Ų5412%0.11529%0.285CS..G310 helixtrans-1036.1175.3-66.8-178.7000112.4V142 P143 M147 L163 F169 V188 V190V142-L145 HydrophobicContact CG1-CB 4.15Å; V142-L145 HydrophobicContact CG1-CD1 4.04Å; V142-L145 HydrophobicContact CG1-CG 4.11Å; V142-L145 PolarHBondContact O-N 2.89Å; V142-L145 VanDerWaalsContact O-N 3.07Å; P143-L145 PolarHBondContact O-N 2.89Å; P143-L145 VanDerWaalsContact O-N 3.16Å; L145-M147 HydrophobicContact CB-CE 3.72Å; L145-M147 HydrophobicContact CB-CG 3.81Å; L145-M147 HydrophobicContact CB-SD 4.1Å; L145-M147 HydrophobicContact CD1-CE 3.47Å; L145-M147 VanDerWaalsContact CD1-CE 3.47Å; L145-M147 HydrophobicContact CD1-SD 4.39Å; L145-M147 HydrophobicContact CG-CE 4.23Å; L145-M147 WeakPolarHBondContact O-CG 3.39Å; L145-M147 PolarHBondContact O-N 2.96Å; L145-L163 HydrophobicContact CB-CD2 4.33Å; L145-L163 HydrophobicContact CD1-CD1 4.19Å; L145-L163 HydrophobicContact CD1-CD2 3.97Å; L145-L163 HydrophobicContact CD2-CD2 4.14Å; L145-L163 HydrophobicContact CG-CD2 4.37Å; L145-F169 HydrophobicContact CD1-CB 3.94Å; L145-F169 HydrophobicContact CD1-CD2 3.69Å; L145-F169 HydrophobicContact CD1-CE2 4.44Å; L145-F169 HydrophobicContact CD1-CG 3.92Å; L145-F169 HydrophobicContact CD2-CD1 4.13Å; L145-F169 HydrophobicContact CD2-CD2 3.66Å; L145-F169 HydrophobicContact CD2-CE1 4.13Å; L145-F169 HydrophobicContact CD2-CE2 3.69Å; L145-F169 HydrophobicContact CD2-CG 3.87Å; L145-F169 HydrophobicContact CD2-CZ 3.92Å; L145-F169 HydrophobicContact CG-CB 3.95Å; L145-F169 HydrophobicContact CG-CD1 4.2Å; L145-F169 HydrophobicContact CG-CD2 3.79Å; L145-F169 HydrophobicContact CG-CE2 4.34Å; L145-F169 HydrophobicContact CG-CG 3.69Å; L145-V188 HydrophobicContact CD1-CB 3.98Å; L145-V188 HydrophobicContact CD1-CG1 3.73Å; L145-V190 HydrophobicContact CD1-CG2 4.29Å
146Y92.5Very high96.3Very high187 Ų18756.6 Ų56.673%0.73330%0.298SS*.THydrogen-bonded Turntrans53.531.3-174.2-49.2-68.7000113V142 P143V142-Y146 PolarHBondContact O-N 2.95Å; P143-Y146 PolarHBondContact O-N 3.09Å
147M93.6Very high96.1Very high4 Ų455.6 Ų55.62%0.0229%0.291CS..EExtended strand (participates in β ladder)trans-101.1122.2-179.7-59.1-171.4-53.900108.7L129 F140 S141 V142 L145 L159 V161 L163 V188L129-M147 HydrophobicContact CD1-SD 4.09Å; F140-M147 HydrophobicContact CE1-CE 4.28Å; S141-M147 CarbonylContact C-O 3.6Å; S141-M147 WeakPolarHBondContact CA-O 3.49Å; V142-M147 HydrophobicContact CB-CB 4.38Å; V142-M147 HydrophobicContact CB-CE 3.73Å; V142-M147 HydrophobicContact CG1-CE 4.18Å; V142-M147 HydrophobicContact CG2-CE 3.89Å; V142-M147 PolarHBondContact N-O 3.46Å; V142-M147 PolarHBondContact O-N 3.41Å; L145-M147 HydrophobicContact CB-CE 3.72Å; L145-M147 HydrophobicContact CB-CG 3.81Å; L145-M147 HydrophobicContact CB-SD 4.1Å; L145-M147 HydrophobicContact CD1-CE 3.47Å; L145-M147 VanDerWaalsContact CD1-CE 3.47Å; L145-M147 HydrophobicContact CD1-SD 4.39Å; L145-M147 HydrophobicContact CG-CE 4.23Å; L145-M147 WeakPolarHBondContact O-CG 3.39Å; L145-M147 PolarHBondContact O-N 2.96Å; M147-L159 HydrophobicContact CB-CD2 3.9Å; M147-L159 HydrophobicContact CG-CD2 4.3Å; M147-V161 HydrophobicContact CG-CG1 3.99Å; M147-V161 HydrophobicContact SD-CB 4.04Å; M147-V161 HydrophobicContact SD-CG1 3.62Å; M147-V161 HydrophobicContact SD-CG2 4.28Å; M147-L163 HydrophobicContact SD-CD2 3.95Å; M147-V188 HydrophobicContact CE-CB 4.48Å; M147-V188 HydrophobicContact CE-CG1 4.39Å; M147-V188 HydrophobicContact CE-CG2 3.97Å
148K95.8Very high95.8Very high122 Ų12252.4 Ų52.453%0.5328%0.279SS..EExtended strand (participates in β ladder)trans-145.8127.8167.7-179176.5169172.90108.8F140 S174F140-K148 CarbonylContact O-C 3.6Å; F140-K148 VanDerWaalsContact O-CA 3.22Å; F140-K148 WeakPolarHBondContact O-CA 3.47Å; K148-S174 WeakPolarHBondContact CE-OG 3.32Å; K148-S174 PolarHBondContact NZ-OG 3.44Å
149M96.2Very high95.5Very high43 Ų4354 Ų5421%0.21229%0.287CS..EExtended strand (participates in β ladder)trans-152.1130.6174.1-171.16111100110.9V131 F140 N157 C158 L159V131-M149 HydrophobicContact CB-CB 4.3Å; V131-M149 HydrophobicContact CB-CG 3.98Å; V131-M149 HydrophobicContact CG1-CG 4.5Å; V131-M149 HydrophobicContact CG2-CB 4.04Å; V131-M149 HydrophobicContact CG2-CG 4.09Å; F140-M149 PolarHBondContact N-O 3Å; F140-M149 PolarHBondContact O-N 3.19Å; M149-N157 HydrophobicContact CE-CB 3.88Å; M149-N157 HydrophobicContact CG-CB 3.62Å; M149-N157 HydrophobicContact SD-CB 3.7Å; M149-C158 WeakPolarHBondContact CE-O 3.27Å; M149-L159 HydrophobicContact CB-CB 4.14Å; M149-L159 HydrophobicContact CB-CD2 4.22Å; M149-L159 HydrophobicContact CE-CB 4.01Å; M149-L159 HydrophobicContact CG-CB 4.3Å
150D97.5Very high95.2Very high72 Ų7255.4 Ų55.439%0.38530%0.302SS..EExtended strand (participates in β ladder)trans-69.6137.9179.7-59.7-23000110.7S139 V152 N157S139-D150 PolarHBondContact OG-OD1 3.01Å; D150-V152 HydrophobicContact CB-CG2 4.14Å; D150-N157 PolarHBondContact O-ND2 3.35Å
151A98.1Very high95Very high0 Ų055.9 Ų55.90%031%0.305CS..EExtended strand (participates in β ladder)trans-101.996.1175.700000108.6W94 V131 T132 S133 H138W94-A151 HydrophobicContact CH2-CB 4.29Å; W94-A151 HydrophobicContact CZ3-CB 4.25Å; V131-A151 HydrophobicContact CG1-CB 3.73Å; T132-A151 WeakPolarHBondContact O-CB 3.16Å; S133-A151 WeakPolarHBondContact CB-O 3.23Å; H138-A151 HydrophobicContact CB-CB 4.01Å; H138-A151 PolarHBondContact N-O 2.88Å; H138-A151 PolarHBondContact O-N 2.83Å
152V97.7Very high94.7Very high30 Ų3061 Ų6118%0.18233%0.33CS..  trans-106.8126.6-174-1780000110.3T132 M137 D150 G154 R155T132-V152 PolarHBondContact OG1-O 2.91Å; M137-V152 HydrophobicContact CG-CG1 4.5Å; D150-V152 HydrophobicContact CB-CG2 4.14Å; V152-G154 PolarHBondContact O-N 3.31Å; V152-R155 HydrophobicContact CB-CB 4.26Å; V152-R155 HydrophobicContact CG1-CB 4.38Å; V152-R155 PolarHBondContact O-N 2.86Å; V152-R155 VanDerWaalsContact O-N 3.14Å
153P97.7Very high94.6Very high50 Ų5061.4 Ų61.433%0.32533%0.331SS..BIsolated β-bridgetrans-56.4134.7176.9-2332000111.9D135 V136 R155D135-P153 VanDerWaalsContact O-CG 3.23Å; D135-P153 WeakPolarHBondContact O-CG 3.05Å; V136-P153 WeakPolarHBondContact O-CG 3.49Å; P153-R155 PolarHBondContact O-N 2.81Å
154G96.4Very high94.4Very high90 Ų9063.1 Ų63.193%0.92835%0.345SS*.THydrogen-bonded Turntrans75.21.9-179.600000115.5V152V152-G154 PolarHBondContact O-N 3.31Å
155R95.7Very high94.4Very high154 Ų15464.8 Ų64.858%0.58134%0.344SS*.  trans-129.4134.1174.4-176.2-171.3-62.8179.41.6110.6T132 V152 P153 N157T132-R155 WeakPolarHBondContact CB-O 3.32Å; T132-R155 PolarHBondContact OG1-O 2.84Å; V152-R155 HydrophobicContact CB-CB 4.26Å; V152-R155 HydrophobicContact CG1-CB 4.38Å; V152-R155 PolarHBondContact O-N 2.86Å; V152-R155 VanDerWaalsContact O-N 3.14Å; P153-R155 PolarHBondContact O-N 2.81Å; R155-N157 WeakPolarHBondContact CD-OD1 3.46Å
156I94.6Very high94.5Very high114 Ų11467.8 Ų67.859%0.58536%0.36SS*.  trans-99.9114172.3-57.8174000108.5L130 T132L130-I156 HydrophobicContact CB-CG2 3.8Å; L130-I156 HydrophobicContact CD2-CG2 4.17Å; L130-I156 HydrophobicContact CG-CG2 4.45Å; T132-I156 HydrophobicContact CG2-CG1 4.42Å
157N93.3Very high94.7Very high30 Ų3060.4 Ų60.416%0.1634%0.341CS..EExtended strand (participates in β ladder)trans-93.8131.7172.6-72-22.1000109.3L130 V131 M149 D150 R155L130-N157 CarbonylContact C-O 3.58Å; V131-N157 PolarHBondContact N-O 2.72Å; V131-N157 PolarHBondContact O-N 3.12Å; M149-N157 HydrophobicContact CE-CB 3.88Å; M149-N157 HydrophobicContact CG-CB 3.62Å; M149-N157 HydrophobicContact SD-CB 3.7Å; D150-N157 PolarHBondContact O-ND2 3.35Å; R155-N157 WeakPolarHBondContact CD-OD1 3.46Å
158C92.3Very high94.8Very high39 Ų3964.7 Ų64.726%0.26437%0.367SS..EExtended strand (participates in β ladder)trans-102.6121.4-179.7-1760000110.1C80 L129 L130 M149C80-C158 WeakPolarHBondContact CB-SG 3.36Å; C80-C158 WeakPolarHBondContact SG-CB 3.38Å; C80-C158 CovalentContact SG-SG 2.07Å; C80-C158 PolarHBondContact SG-SG 2.96Å; L129-C158 CarbonylContact O-C 3.55Å; L129-C158 WeakPolarHBondContact O-CA 3.26Å; L130-C158 HydrophobicContact CD2-CB 4.1Å; M149-C158 WeakPolarHBondContact CE-O 3.27Å
159L92.1Very high94.8Very high33 Ų3359.9 Ų59.917%0.17335%0.346CS..EExtended strand (participates in β ladder)trans-112.9110.8172.3177.369000109.2L129 M147 M149 V161L129-L159 HydrophobicContact CB-CB 4.28Å; L129-L159 HydrophobicContact CD1-CD2 4.41Å; L129-L159 PolarHBondContact N-O 3.35Å; L129-L159 PolarHBondContact O-N 3.23Å; M147-L159 HydrophobicContact CB-CD2 3.9Å; M147-L159 HydrophobicContact CG-CD2 4.3Å; M149-L159 HydrophobicContact CB-CB 4.14Å; M149-L159 HydrophobicContact CB-CD2 4.22Å; M149-L159 HydrophobicContact CE-CB 4.01Å; M149-L159 HydrophobicContact CG-CB 4.3Å; L159-V161 HydrophobicContact CD2-CG1 3.8Å; L159-V161 HydrophobicContact CG-CG1 3.66Å
160G91.6Very high94.7Very high31 Ų3161.4 Ų61.432%0.3236%0.358SS..EExtended strand (participates in β ladder)trans-76.5123.317300000111.5Y127Y127-G160 WeakPolarHBondContact O-CA 3.15Å
161V91.9Very high94.6Very high10 Ų1058.3 Ų58.36%0.06134%0.343CS..EExtended strand (participates in β ladder)trans-130.5139.8-177.7-54.40000112P126 Y127 L129 M147 L159 L163P126-V161 WeakPolarHBondContact CA-O 3.46Å; Y127-V161 PolarHBondContact N-O 3.08Å; Y127-V161 PolarHBondContact O-N 2.72Å; L129-V161 HydrophobicContact CD1-CG1 4.08Å; L129-V161 HydrophobicContact CD1-CG2 4.04Å; L129-V161 HydrophobicContact CD2-CG2 4.26Å; L129-V161 HydrophobicContact CG-CG1 4.3Å; L129-V161 HydrophobicContact CG-CG2 3.87Å; M147-V161 HydrophobicContact CG-CG1 3.99Å; M147-V161 HydrophobicContact SD-CB 4.04Å; M147-V161 HydrophobicContact SD-CG1 3.62Å; M147-V161 HydrophobicContact SD-CG2 4.28Å; L159-V161 HydrophobicContact CD2-CG1 3.8Å; L159-V161 HydrophobicContact CG-CG1 3.66Å; V161-L163 HydrophobicContact CB-CD2 4.38Å
162M92.5Very high94.4Very high115 Ų11564.7 Ų64.757%0.56737%0.368SS*.EExtended strand (participates in β ladder)trans-134.7102.6170.9-170.2-174.4103.400109S164M162-S164 PolarHBondContact O-N 3.47Å
163L93.6Very high94.3Very high7 Ų763.5 Ų63.54%0.03736%0.361CS..  trans-81.9122.5-169.5-53.1179.8000110.5L121 M123 K124 L145 M147 V161 V188 V190L121-L163 HydrophobicContact CB-CD1 3.83Å; L121-L163 HydrophobicContact CD1-CD1 3.76Å; L121-L163 HydrophobicContact CG-CD1 4.43Å; M123-L163 WeakPolarHBondContact CG-O 3.41Å; K124-L163 PolarHBondContact N-O 2.81Å; L145-L163 HydrophobicContact CB-CD2 4.33Å; L145-L163 HydrophobicContact CD1-CD1 4.19Å; L145-L163 HydrophobicContact CD1-CD2 3.97Å; L145-L163 HydrophobicContact CD2-CD2 4.14Å; L145-L163 HydrophobicContact CG-CD2 4.37Å; M147-L163 HydrophobicContact SD-CD2 3.95Å; V161-L163 HydrophobicContact CB-CD2 4.38Å; L163-V188 HydrophobicContact CD1-CG1 4.18Å; L163-V190 HydrophobicContact CB-CG1 3.97Å; L163-V190 HydrophobicContact CB-CG2 4.14Å; L163-V190 HydrophobicContact CD1-CG1 4.36Å; L163-V190 HydrophobicContact CD1-CG2 3.46Å; L163-V190 VanDerWaalsContact CD1-CG2 3.46Å; L163-V190 HydrophobicContact CG-CG2 4.37Å
164S91.7Very high94.3Very high86 Ų8662.8 Ų62.860%0.60136%0.357SS*.  trans-101.6-4.5-174.367.80000114.5M162M162-S164 PolarHBondContact O-N 3.47Å
165R93.4Very high94.3Very high121 Ų12162.1 Ų62.146%0.45733%0.33SS..SBendtrans-126.9135.3-175.8-61.3-168.3-68.8177.8-1.2110D144 F169 V190D144-R165 PolarHBondContact O-NH2 2.76Å; R165-F169 HydrophobicContact CB-CZ 4.13Å; R165-V190 VanDerWaalsContact O-CB 3.31Å; R165-V190 WeakPolarHBondContact O-CB 3.29Å; R165-V190 VanDerWaalsContact O-CG1 3.22Å; R165-V190 WeakPolarHBondContact O-CG1 3.45Å
166L96.3Very high94.3Very high86 Ų8661.1 Ų61.145%0.4534%0.335SS..  trans-74.9150.8169-62170.1000110.1M123 V190 M192M123-L166 HydrophobicContact CB-CD2 3.98Å; M123-L166 HydrophobicContact CE-CD2 4.35Å; M123-L166 HydrophobicContact CE-CG 4.45Å; M123-L166 HydrophobicContact CG-CD2 4.34Å; M123-L166 HydrophobicContact SD-CD2 3.81Å; M123-L166 HydrophobicContact SD-CG 3.72Å; L166-V190 WeakPolarHBondContact CD2-O 3.44Å; L166-M192 HydrophobicContact CD1-CG 3.79Å; L166-M192 HydrophobicContact CD1-SD 3.45Å; L166-M192 WeakPolarHBondContact CD1-SD 3.23Å; L166-M192 HydrophobicContact CD2-CG 3.82Å; L166-M192 HydrophobicContact CD2-SD 3.71Å; L166-M192 HydrophobicContact CG-CG 4.44Å; L166-M192 HydrophobicContact CG-SD 4.04Å
167G95.8Very high94.4Very high32 Ų3256.2 Ų56.233%0.3331%0.311SS..EExtended strand (participates in β ladder)trans145.2-178.7174.100000112.9V190G167-V190 PolarHBondContact N-O 3.44Å; G167-V190 PolarHBondContact O-N 3.39Å
168V95.7Very high94.5Very high94 Ų9456.2 Ų56.257%0.5732%0.319SS*.EExtended strand (participates in β ladder)trans-109.4120173.2-179.10000106.8V187 E189V168-V187 HydrophobicContact CG1-CG1 3.33Å; V168-E189 HydrophobicContact CG2-CG 4.13Å
169F95.9Very high94.6Very high20 Ų2061.2 Ų61.29%0.08835%0.348CS..EExtended strand (participates in β ladder)trans-116.5120.6-175.7-57.4-81.2000108.9V142 D144 L145 R165 V187 V188 V190V142-F169 HydrophobicContact CG1-CB 3.79Å; D144-F169 HydrophobicContact CB-CB 4.43Å; D144-F169 HydrophobicContact CB-CD1 3.51Å; D144-F169 HydrophobicContact CB-CE1 4.22Å; D144-F169 HydrophobicContact CB-CG 4.35Å; L145-F169 HydrophobicContact CD1-CB 3.94Å; L145-F169 HydrophobicContact CD1-CD2 3.69Å; L145-F169 HydrophobicContact CD1-CE2 4.44Å; L145-F169 HydrophobicContact CD1-CG 3.92Å; L145-F169 HydrophobicContact CD2-CD1 4.13Å; L145-F169 HydrophobicContact CD2-CD2 3.66Å; L145-F169 HydrophobicContact CD2-CE1 4.13Å; L145-F169 HydrophobicContact CD2-CE2 3.69Å; L145-F169 HydrophobicContact CD2-CG 3.87Å; L145-F169 HydrophobicContact CD2-CZ 3.92Å; L145-F169 HydrophobicContact CG-CB 3.95Å; L145-F169 HydrophobicContact CG-CD1 4.2Å; L145-F169 HydrophobicContact CG-CD2 3.79Å; L145-F169 HydrophobicContact CG-CE2 4.34Å; L145-F169 HydrophobicContact CG-CG 3.69Å; R165-F169 HydrophobicContact CB-CZ 4.13Å; F169-V187 WeakPolarHBondContact O-CA 3.42Å; F169-V188 PolarHBondContact N-O 2.86Å; F169-V188 PolarHBondContact O-N 3.47Å; F169-V190 HydrophobicContact CD2-CG2 3.88Å; F169-V190 HydrophobicContact CE2-CB 4.23Å; F169-V190 HydrophobicContact CE2-CG2 3.71Å
170T94.8Very high94.7Very high76 Ų7660 Ų6047%0.46634%0.342SS..EExtended strand (participates in β ladder)trans-86.9147.8177560000109.9M186 V187T170-M186 CarbonylContact C-O 3.54Å; T170-V187 HydrophobicContact CG2-CG2 4.29Å
171G95.4Very high94.8Very high6 Ų660.8 Ų60.86%0.06234%0.338CS..EExtended strand (participates in β ladder)trans-142.8176.4177.100000110.3S141 M186S141-G171 CarbonylContact O-C 3.58Å; S141-G171 WeakPolarHBondContact O-CA 3.48Å; G171-M186 PolarHBondContact N-O 3.33Å; G171-M186 PolarHBondContact O-N 3.12Å; G171-M186 VanDerWaalsContact O-N 3.12Å
172Y94.6Very high94.8Very high135 Ų13564.1 Ų64.153%0.52937%0.366SS..EExtended strand (participates in β ladder)trans-146.7159.8-174.149.2-93.5000110S141 P143 S174S141-Y172 WeakPolarHBondContact CB-O 3.42Å; S141-Y172 PolarHBondContact O-N 3.41Å; P143-Y172 HydrophobicContact CG-CE1 3.64Å; Y172-S174 PolarHBondContact O-N 2.9Å
173C96.1Very high94.8Very high4 Ų464.8 Ų64.83%0.02736%0.363CS..EExtended strand (participates in β ladder)trans-67.1122.3168.3-165.30000109.1S139 E175 H181 M184S139-C173 PolarHBondContact N-SG 3.41Å; S139-C173 VanDerWaalsContact N-SG 3.41Å; S139-C173 WeakPolarHBondContact O-CA 3.36Å; C173-E175 PolarHBondContact SG-O 3.47Å; C173-H181 PolarHBondContact O-CE1 2.9Å; C173-M184 HydrophobicContact CB-CE 3.48Å; C173-M184 VanDerWaalsContact CB-CE 3.48Å; C173-M184 HydrophobicContact CB-CG 4.01Å; C173-M184 HydrophobicContact CB-SD 3.83Å; C173-M184 VanDerWaalsContact SG-CE 3.58Å
174S96.4Very high94.9Very high36 Ų3664.6 Ų64.625%0.25236%0.362SS..  trans-96.68.5178.792.70000113.9S139 K148 Y172S139-S174 VanDerWaalsContact CB-OG 3.27Å; S139-S174 WeakPolarHBondContact CB-OG 3.18Å; S139-S174 PolarHBondContact O-N 3.32Å; S139-S174 PolarHBondContact OG-OG 2.74Å; K148-S174 WeakPolarHBondContact CE-OG 3.32Å; K148-S174 PolarHBondContact NZ-OG 3.44Å; Y172-S174 PolarHBondContact O-N 2.9Å
175E96.3Very high95.1Very high76 Ų7661.1 Ų61.136%0.35534%0.338SS..SBendtrans-126.7130-179.5-179.758.5-15300108.4M137 C173 C177 H181M137-E175 HydrophobicContact CB-CG 4.31Å; C173-E175 PolarHBondContact SG-O 3.47Å; E175-C177 PolarHBondContact O-N 2.98Å; E175-C177 PolarHBondContact O-SG 3.43Å; E175-H181 VanDerWaalsContact C-CE1 3.43Å; E175-H181 PolarHBondContact O-CE1 3.41Å; E175-H181 PolarHBondContact O-ND1 3.27Å
176L95.8Very high95.1Very high132 Ų13255.4 Ų55.469%0.69132%0.316SS*.  trans-68.696.2-177.4-179.465.5000110.2H181L176-H181 HydrophobicContact CD1-CB 3.99Å
177C96.1Very high95.1Very high11 Ų1151.8 Ų51.87%0.07430%0.298CS..  trans-88.8-13.2-177.336.10000113.6Q91 W92 V136 M137 H138 E175 H181 M184Q91-C177 PolarHBondContact NE2-O 2.78Å; W92-C177 HydrophobicContact CH2-CB 4.37Å; W92-C177 WeakPolarHBondContact CH2-O 3.12Å; W92-C177 HydrophobicContact CZ3-CB 3.61Å; W92-C177 WeakPolarHBondContact CZ3-SG 3.21Å; V136-C177 HydrophobicContact CG2-CB 3.82Å; M137-C177 VanDerWaalsContact O-CB 3.27Å; M137-C177 WeakPolarHBondContact O-CB 3.27Å; H138-C177 VanDerWaalsContact ND1-CB 3.26Å; H138-C177 WeakPolarHBondContact ND1-CB 3.22Å; H138-C177 PolarHBondContact ND1-SG 3.23Å; E175-C177 PolarHBondContact O-N 2.98Å; E175-C177 PolarHBondContact O-SG 3.43Å; C177-H181 PolarHBondContact SG-ND1 3.24Å; C177-M184 PolarHBondContact SG-SD 3.42Å
178G96.1Very high95.2Very high31 Ų3150.3 Ų50.332%0.3228%0.282SS..SBendtrans132.4-150.9174.900000114.1G180 H181G178-G180 VanDerWaalsContact C-N 3.33Å; G178-G180 PolarHBondContact O-N 2.91Å; G178-H181 WeakPolarHBondContact O-CB 3.28Å; G178-H181 PolarHBondContact O-N 2.74Å
179V94.8Very high95.3Very high144 Ų14448 Ų4887%0.87327%0.266SS*.THydrogen-bonded Turntrans-54.9-40.3-163.9-179.60000114.3W92W92-V179 HydrophobicContact CZ2-CB 4.37Å; W92-V179 VanDerWaalsContact CZ2-N 3.31Å
180G93.5Very high95.3Very high6 Ų647.3 Ų47.36%0.06226%0.263CS..THydrogen-bonded Turntrans-97.216.5-178.300000114.4W92 G178 A182 Y183W92-G180 VanDerWaalsContact CG-CA 3.44Å; G178-G180 VanDerWaalsContact C-N 3.33Å; G178-G180 PolarHBondContact O-N 2.91Å; G180-A182 PolarHBondContact O-N 3.03Å; G180-A182 VanDerWaalsContact O-N 3.13Å; G180-Y183 PolarHBondContact O-N 3.02Å
181H94Very high95.4Very high49 Ų4946 Ų4623%0.22725%0.254CS..G310 helixtrans-50.1-39.4-177165.871.2000113.9W92 C173 E175 L176 C177 G178 Y183 M184W92-H181 VanDerWaalsContact CE3-N 3.35Å; W92-H181 HydrophobicContact CZ3-CB 4.39Å; C173-H181 PolarHBondContact O-CE1 2.9Å; E175-H181 VanDerWaalsContact C-CE1 3.43Å; E175-H181 PolarHBondContact O-CE1 3.41Å; E175-H181 PolarHBondContact O-ND1 3.27Å; L176-H181 HydrophobicContact CD1-CB 3.99Å; C177-H181 PolarHBondContact SG-ND1 3.24Å; G178-H181 WeakPolarHBondContact O-CB 3.28Å; G178-H181 PolarHBondContact O-N 2.74Å; H181-Y183 VanDerWaalsContact C-N 3.31Å; H181-Y183 PolarHBondContact O-N 3.17Å; H181-M184 WeakPolarHBondContact O-CG 3.38Å
182A91.6Very high95.3Very high79 Ų7950.4 Ų50.465%0.65328%0.275SS*.G310 helixtrans-78.2-11.9179.200000114.1G180G180-A182 PolarHBondContact O-N 3.03Å; G180-A182 VanDerWaalsContact O-N 3.13Å
183Y93.3Very high94.9Very high129 Ų12945.5 Ų45.551%0.50626%0.258SS..G310 helixtrans-110.931.2-169.9-55.6-70.1000113M108 L111 G180 H181 P185M108-Y183 HydrophobicContact CE-CD1 4.15Å; M108-Y183 VanDerWaalsContact SD-CA 3.59Å; M108-Y183 HydrophobicContact SD-CD1 4.18Å; M108-Y183 VanDerWaalsContact SD-O 3.41Å; L111-Y183 HydrophobicContact CD1-CD1 4.25Å; L111-Y183 HydrophobicContact CD1-CE1 3.84Å; G180-Y183 PolarHBondContact O-N 3.02Å; H181-Y183 VanDerWaalsContact C-N 3.31Å; H181-Y183 PolarHBondContact O-N 3.17Å; Y183-P185 VanDerWaalsContact C-CD 3.46Å
184M95Very high94.1Very high3 Ų355.1 Ų55.12%0.01530%0.299CS..  trans-133.457.2179.451.5179.1-77.800111.4W92 W94 H138 C173 C177 H181W92-M184 VanDerWaalsContact C-CB 3.49Å; W92-M184 HydrophobicContact CB-CB 4.04Å; W92-M184 HydrophobicContact CB-CG 4.48Å; W92-M184 HydrophobicContact CB-SD 4.45Å; W92-M184 HydrophobicContact CE3-SD 3.7Å; W92-M184 HydrophobicContact CZ3-SD 4.47Å; W92-M184 VanDerWaalsContact O-CB 3.29Å; W92-M184 WeakPolarHBondContact O-CB 3.34Å; W94-M184 VanDerWaalsContact CE2-CE 3.43Å; W94-M184 HydrophobicContact CH2-CE 4.34Å; W94-M184 HydrophobicContact CZ2-CE 3.29Å; W94-M184 PolarHBondContact NE1-O 2.77Å; W94-M184 VanDerWaalsContact NE1-O 3.09Å; H138-M184 HydrophobicContact CB-CE 4.3Å; H138-M184 VanDerWaalsContact ND1-CE 3.27Å; H138-M184 WeakPolarHBondContact ND1-CE 3.41Å; C173-M184 HydrophobicContact CB-CE 3.48Å; C173-M184 VanDerWaalsContact CB-CE 3.48Å; C173-M184 HydrophobicContact CB-CG 4.01Å; C173-M184 HydrophobicContact CB-SD 3.83Å; C173-M184 VanDerWaalsContact SG-CE 3.58Å; C177-M184 PolarHBondContact SG-SD 3.42Å; H181-M184 WeakPolarHBondContact O-CG 3.38Å
185P95.4Very high92.7Very high14 Ų1462.9 Ų62.99%0.09133%0.328CS..  trans-62.4156.4178.929.7-34.9000110.5M108 V115 Y183M108-P185 HydrophobicContact CB-CG 4.17Å; M108-P185 HydrophobicContact CG-CG 3.85Å; M108-P185 HydrophobicContact SD-CG 4.27Å; V115-P185 HydrophobicContact CG1-CB 4.38Å; V115-P185 HydrophobicContact CG1-CG 3.89Å; V115-P185 VanDerWaalsContact CG1-O 3.28Å; V115-P185 WeakPolarHBondContact CG1-O 3.32Å; Y183-P185 VanDerWaalsContact C-CD 3.46Å
186M94.6Very high90.5Very high0 Ų066 Ų660%035%0.345CS..EExtended strand (participates in β ladder)trans-123.8138.8173.541.2178.360.400108.3W94 F140 S141 V142 T170 G171W94-M186 HydrophobicContact CD2-CE 3.5Å; W94-M186 VanDerWaalsContact CD2-CE 3.5Å; W94-M186 HydrophobicContact CE3-CE 4.03Å; W94-M186 HydrophobicContact CG-CE 4.07Å; W94-M186 HydrophobicContact CH2-CE 3.68Å; W94-M186 HydrophobicContact CZ2-CE 3.1Å; W94-M186 HydrophobicContact CZ3-CE 4.11Å; W94-M186 VanDerWaalsContact NE1-CE 3.27Å; F140-M186 HydrophobicContact CB-CE 3.95Å; F140-M186 HydrophobicContact CB-SD 4.31Å; F140-M186 HydrophobicContact CD1-SD 4.09Å; F140-M186 HydrophobicContact CD2-CE 2.97Å; F140-M186 HydrophobicContact CD2-SD 3.37Å; F140-M186 WeakPolarHBondContact CD2-SD 3.36Å; F140-M186 HydrophobicContact CE1-SD 4.21Å; F140-M186 HydrophobicContact CE2-CB 4.12Å; F140-M186 HydrophobicContact CE2-CE 3.47Å; F140-M186 VanDerWaalsContact CE2-CE 3.47Å; F140-M186 HydrophobicContact CE2-CG 4.41Å; F140-M186 HydrophobicContact CE2-SD 3.48Å; F140-M186 WeakPolarHBondContact CE2-SD 3.36Å; F140-M186 HydrophobicContact CG-CE 3.61Å; F140-M186 HydrophobicContact CG-SD 3.66Å; F140-M186 HydrophobicContact CZ-CE 4.45Å; F140-M186 HydrophobicContact CZ-SD 3.92Å; S141-M186 PolarHBondContact N-SD 3.09Å; V142-M186 HydrophobicContact CG2-CG 4.29Å; V142-M186 HydrophobicContact CG2-SD 3.9Å; T170-M186 CarbonylContact C-O 3.54Å; G171-M186 PolarHBondContact N-O 3.33Å; G171-M186 PolarHBondContact O-N 3.12Å; G171-M186 VanDerWaalsContact O-N 3.12Å
187V96.6Very high90.2Very high11 Ų1162.8 Ų62.87%0.06733%0.327CS..EExtended strand (participates in β ladder)trans-128.1122-179.6-179.30000107.7G113 V115 P118 L119 V168 F169 T170G113-V187 WeakPolarHBondContact O-CG2 3.44Å; V115-V187 HydrophobicContact CB-CG2 4.32Å; V115-V187 HydrophobicContact CG1-CG2 4.03Å; V115-V187 HydrophobicContact CG2-CB 3.57Å; V115-V187 HydrophobicContact CG2-CG2 3.59Å; P118-V187 CarbonylContact C-O 3.48Å; P118-V187 WeakPolarHBondContact CA-O 3.37Å; P118-V187 HydrophobicContact CB-CB 3.95Å; P118-V187 HydrophobicContact CB-CG1 3.85Å; P118-V187 WeakPolarHBondContact CB-O 3.43Å; L119-V187 PolarHBondContact N-O 3.27Å; V168-V187 HydrophobicContact CG1-CG1 3.33Å; F169-V187 WeakPolarHBondContact O-CA 3.42Å; T170-V187 HydrophobicContact CG2-CG2 4.29Å
188V97.6Very high89.9Confident0 Ų065.5 Ų65.50%034%0.341CS..EExtended strand (participates in β ladder)trans-106.1119.1174.7179.10000108.2L119 L121 F140 V142 L145 M147 L163 F169 V190L119-V188 HydrophobicContact CB-CG2 4.33Å; L119-V188 HydrophobicContact CD2-CG2 4.34Å; L119-V188 CarbonylContact O-C 3.55Å; L119-V188 VanDerWaalsContact O-CA 3.32Å; L119-V188 WeakPolarHBondContact O-CA 3.03Å; L121-V188 HydrophobicContact CD1-CG1 4.09Å; F140-V188 HydrophobicContact CZ-CG2 4.11Å; V142-V188 HydrophobicContact CG2-CG2 3.89Å; L145-V188 HydrophobicContact CD1-CB 3.98Å; L145-V188 HydrophobicContact CD1-CG1 3.73Å; M147-V188 HydrophobicContact CE-CB 4.48Å; M147-V188 HydrophobicContact CE-CG1 4.39Å; M147-V188 HydrophobicContact CE-CG2 3.97Å; L163-V188 HydrophobicContact CD1-CG1 4.18Å; F169-V188 PolarHBondContact N-O 2.86Å; F169-V188 PolarHBondContact O-N 3.47Å; V188-V190 HydrophobicContact CG1-CG2 4.3Å
189E96.8Very high89.6Confident47 Ų4767.4 Ų67.422%0.2234%0.342CS..EExtended strand (participates in β ladder)trans-103.1116.7177-177.1-179-169.400108.8P118 L119 R120 L121 V168 V191P118-E189 HydrophobicContact CB-CB 4.34Å; P118-E189 HydrophobicContact CG-CB 4.45Å; L119-E189 PolarHBondContact O-N 2.81Å; R120-E189 WeakPolarHBondContact CA-O 3.32Å; R120-E189 HydrophobicContact CG-CB 4.05Å; R120-E189 HydrophobicContact CG-CG 4.46Å; R120-E189 WeakPolarHBondContact CG-OE2 3.47Å; R120-E189 IonicContact CZ-OE2 2.96Å; R120-E189 IonicContact NE-OE2 2.78Å; R120-E189 PolarHBondContact NE-OE2 3.13Å; R120-E189 IonicContact NH2-OE2 3.79Å; R120-E189 PolarHBondContact NH2-OE2 2.99Å; L121-E189 PolarHBondContact N-O 2.94Å; V168-E189 HydrophobicContact CG2-CG 4.13Å; E189-V191 HydrophobicContact CG-CG1 3.84Å
190V97.4Very high89.3Confident5 Ų562.9 Ų62.93%0.0331%0.311CS..EExtended strand (participates in β ladder)trans-98.2110.6178.7-170.30000109L121 M123 L145 L163 R165 L166 G167 F169 V188L121-V190 WeakPolarHBondContact O-CA 3.06Å; M123-V190 HydrophobicContact CB-CG1 3.91Å; M123-V190 HydrophobicContact CG-CG1 4.34Å; L145-V190 HydrophobicContact CD1-CG2 4.29Å; L163-V190 HydrophobicContact CB-CG1 3.97Å; L163-V190 HydrophobicContact CB-CG2 4.14Å; L163-V190 HydrophobicContact CD1-CG1 4.36Å; L163-V190 HydrophobicContact CD1-CG2 3.46Å; L163-V190 VanDerWaalsContact CD1-CG2 3.46Å; L163-V190 HydrophobicContact CG-CG2 4.37Å; R165-V190 VanDerWaalsContact O-CB 3.31Å; R165-V190 WeakPolarHBondContact O-CB 3.29Å; R165-V190 VanDerWaalsContact O-CG1 3.22Å; R165-V190 WeakPolarHBondContact O-CG1 3.45Å; L166-V190 WeakPolarHBondContact CD2-O 3.44Å; G167-V190 PolarHBondContact N-O 3.44Å; G167-V190 PolarHBondContact O-N 3.39Å; F169-V190 HydrophobicContact CD2-CG2 3.88Å; F169-V190 HydrophobicContact CE2-CB 4.23Å; F169-V190 HydrophobicContact CE2-CG2 3.71Å; V188-V190 HydrophobicContact CG1-CG2 4.3Å
191V96.2Very high89Confident48 Ų4866.4 Ų66.429%0.29133%0.326SS..EExtended strand (participates in β ladder)trans-107.4158.9-176.8-56.10000111.6L121 L122 M123 E189 N193L121-V191 PolarHBondContact O-N 2.84Å; L122-V191 HydrophobicContact CD2-CG2 3.6Å; M123-V191 PolarHBondContact N-O 3.39Å; E189-V191 HydrophobicContact CG-CG1 3.84Å; V191-N193 PolarHBondContact O-N 3.07Å
192M94.3Very high88.7Confident99 Ų9967.6 Ų67.649%0.48833%0.333SS..  trans-62.4133.6177.6-75.6-67.2-82.700111.2M123 L166 K194M123-M192 HydrophobicContact CE-CE 4.46Å; M123-M192 HydrophobicContact CE-SD 3.55Å; M123-M192 VanDerWaalsContact CE-SD 3.55Å; L166-M192 HydrophobicContact CD1-CG 3.79Å; L166-M192 HydrophobicContact CD1-SD 3.45Å; L166-M192 WeakPolarHBondContact CD1-SD 3.23Å; L166-M192 HydrophobicContact CD2-CG 3.82Å; L166-M192 HydrophobicContact CD2-SD 3.71Å; L166-M192 HydrophobicContact CG-CG 4.44Å; L166-M192 HydrophobicContact CG-SD 4.04Å; M192-K194 PolarHBondContact O-N 3.11Å
193N84.9Confident88.5Confident32 Ų3266.8 Ų66.817%0.17131%0.31CS..  trans-73.9111.6168.3-174.9-2.6000108.5L122 V191 K195 M196L122-N193 HydrophobicContact CB-CB 4.37Å; V191-N193 PolarHBondContact O-N 3.07Å; N193-K195 PolarHBondContact O-N 2.79Å; N193-K195 PolarHBondContact OD1-N 3.22Å; N193-M196 PolarHBondContact O-N 2.91Å; N193-M196 VanDerWaalsContact O-N 3.08Å
194K79.6Confident88.1Confident206 Ų20662 Ų6290%0.89630%0.295SS*.THydrogen-bonded Turntrans-60.4-11.2179.9-69-174.9178.6-178.70114.2M192 M196M192-K194 PolarHBondContact O-N 3.11Å; K194-M196 VanDerWaalsContact C-N 3.33Å
195K66.2Low87.5Confident198 Ų19866.9 Ų66.986%0.86132%0.318SS*.THydrogen-bonded Turntrans-86.93.1176.4-66.3-174.2177.4-179.90114.1N193N193-K195 PolarHBondContact O-N 2.79Å; N193-K195 PolarHBondContact OD1-N 3.22Å
196M50.6Low86.8Confident143 Ų14371.7 Ų71.770%0.70434%0.339SS*.  trans-107.70167.7-77.817826.100110M123 K124 N193 K194M123-M196 HydrophobicContact CE-CE 4.2Å; K124-M196 HydrophobicContact CD-CE 4.5Å; K124-M196 HydrophobicContact CD-SD 4.08Å; N193-M196 PolarHBondContact O-N 2.91Å; N193-M196 VanDerWaalsContact O-N 3.08Å; K194-M196 VanDerWaalsContact C-N 3.33Å

Retrieved 196 of 196 residues in 39.4 ms (Link to these results)