A0A3B3UPA3_9TELE Loading...

NPC intracellular cholesterol transporter 2

AlphaFold DB , UniProt , Accession A0A3B3UPA3, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 149 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M47.8Very low52.7Low231 Ų231153.4 Ų153.4100%1.13883%0.827SS**  080.70-7416067.600105.9
2D41Very low52.4Low159 Ų159148 Ų14885%0.8581%0.808SS**  trans-113.687.7-179.2-81.7-78.6000108R4D2-R4 PolarHBondContact O-N 3.41Å
3V54.3Low52.6Low147 Ų147148.5 Ų148.589%0.89181%0.808SS**  trans-71.393.1165.5169.60000105.8T5V3-T5 PolarHBondContact O-N 2.86Å; V3-T5 VanDerWaalsContact O-N 3.15Å
4R52.1Low53.2Low231 Ų231147.9 Ų147.987%0.87280%0.801SS**  trans-42.9118.1170.6-87.2174.6161177.7-5.8110.2D2 G6D2-R4 PolarHBondContact O-N 3.41Å; R4-G6 PolarHBondContact O-N 3.24Å; R4-G6 VanDerWaalsContact O-N 3.13Å
5T52.1Low53.5Low137 Ų137142.1 Ų142.184%0.8479%0.791SS**  trans-25.4105.1156.9-46.90000112.6V3V3-T5 PolarHBondContact O-N 2.86Å; V3-T5 VanDerWaalsContact O-N 3.15Å
6G50.2Low53.6Low65 Ų65142.5 Ų142.567%0.6779%0.79SS**  trans-133.369.1173.200000109.6R4 I8R4-G6 PolarHBondContact O-N 3.24Å; R4-G6 VanDerWaalsContact O-N 3.13Å; G6-I8 VanDerWaalsContact C-N 3.32Å; G6-I8 PolarHBondContact O-N 2.95Å
7L53.9Low53.9Low163 Ų163142 Ų14285%0.85379%0.792SS**  trans-70.992168.9-117.5122.2000107.5A9L7-A9 VanDerWaalsContact C-N 3.27Å; L7-A9 PolarHBondContact O-N 2.78Å
8I56.4Low54.1Low150 Ų150146.6 Ų146.677%0.76980%0.795SS**  trans-72.789.4168.5-59.1175.6000106.5G6 L10G6-I8 VanDerWaalsContact C-N 3.32Å; G6-I8 PolarHBondContact O-N 2.95Å; I8-L10 VanDerWaalsContact C-N 3.34Å; I8-L10 HydrophobicContact CG2-CD1 4.49Å; I8-L10 PolarHBondContact O-N 3.48Å
9A57.5Low54.6Low82 Ų82143.1 Ų143.168%0.67879%0.788SS**  trans-70.794167.700000108L7 F11L7-A9 VanDerWaalsContact C-N 3.27Å; L7-A9 PolarHBondContact O-N 2.78Å; A9-F11 VanDerWaalsContact C-N 3.27Å; A9-F11 PolarHBondContact O-N 2.75Å
10L58.2Low55.7Low142 Ų142142.5 Ų142.574%0.74378%0.779SS**  trans-69.386.7172.1-151.291.2000108.1I8 C12I8-L10 VanDerWaalsContact C-N 3.34Å; I8-L10 HydrophobicContact CG2-CD1 4.49Å; I8-L10 PolarHBondContact O-N 3.48Å; L10-C12 VanDerWaalsContact C-N 3.27Å; L10-C12 PolarHBondContact O-N 3.4Å
11F55.8Low57.3Low180 Ų180139.7 Ų139.779%0.78977%0.768SS**  trans-72.586.1174.3-144.4-96.9000107.6A9 L13A9-F11 VanDerWaalsContact C-N 3.27Å; A9-F11 PolarHBondContact O-N 2.75Å; F11-L13 VanDerWaalsContact C-N 3.28Å; F11-L13 HydrophobicContact CD1-CG 4.34Å; F11-L13 PolarHBondContact O-N 2.78Å
12C49.1Very low59.5Low89 Ų89129 Ų12960%0.60172%0.716SS**  trans-61.894.7168.1-81.60000107.9L10 I14L10-C12 VanDerWaalsContact C-N 3.27Å; L10-C12 PolarHBondContact O-N 3.4Å; C12-I14 HydrophobicContact CB-CG1 4.14Å; C12-I14 PolarHBondContact O-N 3.38Å
13L55.6Low62.2Low154 Ų154129.5 Ų129.581%0.80671%0.71SS**  trans-65.178.8161.2-79156.3000107.1F11 G15F11-L13 VanDerWaalsContact C-N 3.28Å; F11-L13 HydrophobicContact CD1-CG 4.34Å; F11-L13 PolarHBondContact O-N 2.78Å; L13-G15 VanDerWaalsContact C-N 3.27Å; L13-G15 PolarHBondContact O-N 2.99Å
14I61.5Low64.2Low140 Ų140126 Ų12672%0.71868%0.681SS**  trans-67.497.9166.6-52.5167.1000104.2C12 L16C12-I14 HydrophobicContact CB-CG1 4.14Å; C12-I14 PolarHBondContact O-N 3.38Å; I14-L16 PolarHBondContact O-N 3.15Å
15G57.3Low66.4Low62 Ų62120.7 Ų120.764%0.63967%0.669SS**  trans-57.8108.2173.300000108L13 T17L13-G15 VanDerWaalsContact C-N 3.27Å; L13-G15 PolarHBondContact O-N 2.99Å; G15-T17 VanDerWaalsContact C-N 3.26Å; G15-T17 PolarHBondContact O-N 2.76Å
16L54.7Low68.6Low148 Ų148118 Ų11878%0.77565%0.65SS**  trans-68.191.3169.1-68.8164.7000106.2I14 W18I14-L16 PolarHBondContact O-N 3.15Å; L16-W18 PolarHBondContact O-N 2.91Å
17T58.8Low70.9Confident134 Ų134117 Ų11782%0.82263%0.632SS**  trans-73.6108.3167.751.70000106.9G15 A19G15-T17 VanDerWaalsContact C-N 3.26Å; G15-T17 PolarHBondContact O-N 2.76Å; T17-A19 PolarHBondContact O-N 2.96Å
18W57.8Low73Confident224 Ų224110.6 Ų110.685%0.84861%0.605SS**  trans-68.2103.7174.1-71.652.2000107.2L16 Q20L16-W18 PolarHBondContact O-N 2.91Å; W18-Q20 PolarHBondContact O-N 2.78Å; W18-Q20 VanDerWaalsContact O-N 3.17Å
19A63.9Low74.9Confident81 Ų81104.2 Ų104.267%0.66957%0.574SS**  trans-63.6114.9167.500000107.2T17T17-A19 PolarHBondContact O-N 2.96Å
20Q77.1Confident76.9Confident130 Ų130105.2 Ų105.261%0.60757%0.572SS**PPolyproline II helixtrans-89.3128.6176.2-64.7-170-72.300108.8W18 V22W18-Q20 PolarHBondContact O-N 2.78Å; W18-Q20 VanDerWaalsContact O-N 3.17Å; Q20-V22 PolarHBondContact O-N 2.8Å
21P88.6Confident78.8Confident84 Ų8498.7 Ų98.755%0.54554%0.538SS..PPolyproline II helixtrans-53.5138174.4-26.434.1000111.4V37 D38 Q45P21-V37 CarbonylContact C-O 3.54Å; P21-D38 WeakPolarHBondContact CA-OD1 3.22Å; P21-Q45 PolarHBondContact O-NE2 3.3Å
22V94.7Very high80.8Confident6 Ų690.4 Ų90.44%0.03650%0.503CS..PPolyproline II helixtrans-72.6135.2178.4173.40000109.5Q20 Y24 V37 I39 F143Q20-V22 PolarHBondContact O-N 2.8Å; V22-Y24 WeakPolarHBondContact O-CD1 3.43Å; V22-Y24 PolarHBondContact O-N 3.07Å; V22-V37 HydrophobicContact CB-CG1 4.3Å; V22-V37 PolarHBondContact N-O 2.67Å; V22-I39 HydrophobicContact CB-CD1 4.47Å; V22-I39 HydrophobicContact CG1-CD1 4.16Å; V22-I39 HydrophobicContact CG2-CB 3.87Å; V22-I39 HydrophobicContact CG2-CD1 3.9Å; V22-I39 HydrophobicContact CG2-CG1 3.75Å; V22-F143 HydrophobicContact CG1-CB 4.01Å; V22-F143 HydrophobicContact CG1-CG 4.36Å
23K95.8Very high83.2Confident170 Ų17092.8 Ų92.874%0.73950%0.503SS*.PPolyproline II helixtrans-70.2125.2170.8-66.5-179.4-178.2179.50109.3
24Y97.8Very high85.2Confident73 Ų7385.9 Ų85.929%0.28647%0.468SS..  trans-132.4164.8179.467.4-87.1000111.3V22 V34 V37 I141 K142V22-Y24 WeakPolarHBondContact O-CD1 3.43Å; V22-Y24 PolarHBondContact O-N 3.07Å; Y24-V34 HydrophobicContact CD2-CG1 4.48Å; Y24-V34 HydrophobicContact CE1-CG1 4.29Å; Y24-V34 HydrophobicContact CE2-CB 3.87Å; Y24-V34 HydrophobicContact CE2-CG1 3.63Å; Y24-V34 WeakPolarHBondContact OH-CG1 3.38Å; Y24-V37 HydrophobicContact CD1-CB 3.78Å; Y24-V37 HydrophobicContact CD1-CG2 3.39Å; Y24-V37 HydrophobicContact CD2-CG2 4.22Å; Y24-V37 HydrophobicContact CE1-CB 4.29Å; Y24-V37 HydrophobicContact CE1-CG2 3.74Å; Y24-V37 HydrophobicContact CG-CB 4.35Å; Y24-V37 HydrophobicContact CG-CG2 3.66Å; Y24-I141 HydrophobicContact CD2-CB 4.22Å; Y24-I141 HydrophobicContact CD2-CG2 3.65Å; Y24-I141 HydrophobicContact CE2-CG2 4.07Å; Y24-I141 HydrophobicContact CG-CG2 4.32Å; Y24-K142 CarbonylContact C-O 3.45Å; Y24-K142 VanDerWaalsContact CA-O 3.27Å; Y24-K142 WeakPolarHBondContact CA-O 3.34Å
25I98.2Very high87Confident121 Ų12183.7 Ų83.762%0.62146%0.457SS*.EExtended strand (participates in β ladder)trans-114130169.4-64.6171.4000107.2I141 K142I25-I141 CarbonylContact O-C 3.6Å; I25-I141 WeakPolarHBondContact O-CA 3.44Å; I25-K142 HydrophobicContact CB-CB 4.35Å; I25-K142 PolarHBondContact N-O 3.03Å; I25-K142 PolarHBondContact O-N 2.93Å
26D98.3Very high88.9Confident81 Ų8181.4 Ų81.443%0.43343%0.432SS..EExtended strand (participates in β ladder)trans-72.4124.6168.2-171.3-19.3000109G28 S29 C140D26-G28 PolarHBondContact OD1-N 2.68Å; D26-S29 WeakPolarHBondContact OD1-CB 3.47Å; D26-S29 PolarHBondContact OD1-N 2.83Å; D26-S29 PolarHBondContact OD1-OG 3.09Å; D26-S29 WeakPolarHBondContact OD2-CB 3.28Å; D26-S29 PolarHBondContact OD2-OG 3.21Å; D26-C140 WeakPolarHBondContact CA-O 3.5Å; D26-C140 VanDerWaalsContact OD1-O 3.13Å
27C97.9Very high90.9Very high44 Ų4474.4 Ų74.430%0.29740%0.396SS..SBendtrans-103.2-0.6-177.444.80000114.7C140 I141 K142C27-C140 HydrophobicContact CB-CB 4.18Å; C27-C140 WeakPolarHBondContact CB-SG 3.47Å; C27-C140 PolarHBondContact N-O 2.81Å; C27-C140 WeakPolarHBondContact SG-CB 3.44Å; C27-C140 PolarHBondContact SG-O 3.15Å; C27-C140 VanDerWaalsContact SG-O 3.38Å; C27-C140 CovalentContact SG-SG 2.04Å; C27-C140 PolarHBondContact SG-SG 2.85Å; C27-I141 PolarHBondContact SG-N 2.99Å; C27-K142 HydrophobicContact CB-CD 3.93Å; C27-K142 HydrophobicContact CB-CG 4.12Å
28G97.4Very high92.8Very high28 Ų2870.1 Ų70.129%0.28937%0.368SS..  trans150.436.6-177.400000116.3D26 T30 D137D26-G28 PolarHBondContact OD1-N 2.68Å; G28-T30 VanDerWaalsContact C-N 3.29Å; G28-T30 PolarHBondContact O-N 2.84Å; G28-D137 WeakPolarHBondContact O-CB 3.45Å
29S97.8Very high94.6Very high16 Ų1660.1 Ų60.111%0.11233%0.331CS..  trans-67.978.5179-50.40000112.4D26 D137 F139 C140D26-S29 WeakPolarHBondContact OD1-CB 3.47Å; D26-S29 PolarHBondContact OD1-N 2.83Å; D26-S29 PolarHBondContact OD1-OG 3.09Å; D26-S29 WeakPolarHBondContact OD2-CB 3.28Å; D26-S29 PolarHBondContact OD2-OG 3.21Å; S29-D137 CarbonylContact C-O 3.59Å; S29-F139 WeakPolarHBondContact OG-CA 3.41Å; S29-C140 PolarHBondContact OG-N 3.13Å
30T98.1Very high96.1Very high102 Ų10261 Ų6163%0.62633%0.325SS*.SBendtrans-82.7-26.9-171.753.40000114.5G28 D137G28-T30 VanDerWaalsContact C-N 3.29Å; G28-T30 PolarHBondContact O-N 2.84Å; T30-D137 PolarHBondContact N-O 3.48Å; T30-D137 VanDerWaalsContact N-O 3.07Å
31S98.2Very high96.9Very high6 Ų658 Ų584%0.04232%0.316CS..SBendtrans-105.86.1-179.5-75.70000113.2N64 D132 K136 D137S31-N64 WeakPolarHBondContact O-CA 3.37Å; S31-N64 WeakPolarHBondContact O-CB 3.17Å; S31-N64 PolarHBondContact O-N 2.88Å; S31-D132 VanDerWaalsContact CB-OD2 3.24Å; S31-D132 WeakPolarHBondContact CB-OD2 3.27Å; S31-D132 PolarHBondContact OG-OD2 2.97Å; S31-K136 WeakPolarHBondContact OG-CB 3.49Å; S31-D137 WeakPolarHBondContact CA-O 3.42Å; S31-D137 PolarHBondContact N-O 2.89Å
32G98.3Very high97.2Very high5 Ų555 Ų555%0.05230%0.297CS..EExtended strand (participates in β ladder)trans-163.5-168179.500000112.5T62 N64 L138G32-T62 CarbonylContact C-O 3.55Å; G32-T62 WeakPolarHBondContact CA-O 3.43Å; G32-N64 WeakPolarHBondContact CA-ND2 3.41Å; G32-N64 PolarHBondContact O-ND2 3.05Å; G32-L138 CarbonylContact C-O 3.51Å; G32-L138 WeakPolarHBondContact CA-O 3.49Å
33K98.6Very high97.1Very high139 Ų13959.7 Ų59.760%0.60433%0.328SS*.EExtended strand (participates in β ladder)trans-143.2125.8178.8-177.1-179.2178-175.60110.4F61 T62K33-F61 CarbonylContact O-C 3.53Å; K33-F61 VanDerWaalsContact O-CA 3.24Å; K33-F61 WeakPolarHBondContact O-CA 3.28Å; K33-F61 WeakPolarHBondContact O-CB 3.46Å; K33-T62 PolarHBondContact N-O 2.93Å; K33-T62 PolarHBondContact O-N 3.1Å
34V98.6Very high96.9Very high10 Ų1057.1 Ų57.16%0.06132%0.322CS..EExtended strand (participates in β ladder)trans-73.6133.6175-166.40000110.2Y24 V37 V59 F139 I141Y24-V34 HydrophobicContact CD2-CG1 4.48Å; Y24-V34 HydrophobicContact CE1-CG1 4.29Å; Y24-V34 HydrophobicContact CE2-CB 3.87Å; Y24-V34 HydrophobicContact CE2-CG1 3.63Å; Y24-V34 WeakPolarHBondContact OH-CG1 3.38Å; V34-V37 HydrophobicContact CG1-CG2 4.11Å; V34-V59 HydrophobicContact CG1-CG1 4.06Å; V34-F139 HydrophobicContact CG2-CB 3.58Å; V34-I141 HydrophobicContact CB-CG2 4.4Å; V34-I141 HydrophobicContact CG1-CG2 3.97Å; V34-I141 HydrophobicContact CG2-CG2 3.75Å
35I98.2Very high96.7Very high94 Ų9457.1 Ų57.148%0.48232%0.324SS..EExtended strand (participates in β ladder)trans-100.9-46.1174.5-64163.3000109.6T60 T62 T106I35-T60 HydrophobicContact CB-CG2 4.09Å; I35-T60 WeakPolarHBondContact CB-O 3.46Å; I35-T60 HydrophobicContact CD1-CG2 3.98Å; I35-T60 HydrophobicContact CG2-CG2 4.4Å; I35-T60 PolarHBondContact N-O 3.26Å; I35-T62 VanDerWaalsContact CD1-OG1 3.28Å; I35-T62 WeakPolarHBondContact CD1-OG1 3.41Å; I35-T106 HydrophobicContact CD1-CG2 3.57Å
36G97.5Very high96.6Very high13 Ų1354 Ų5413%0.13431%0.313CS..EExtended strand (participates in β ladder)trans-160.1155.9-174.600000112.7V59 T60G36-V59 WeakPolarHBondContact O-CA 3.12Å; G36-T60 PolarHBondContact N-O 2.83Å; G36-T60 PolarHBondContact O-N 2.76Å
37V98.1Very high96.5Very high1 Ų150.2 Ų50.21%0.00629%0.292CS..EExtended strand (participates in β ladder)trans-131.7129.7175.5-179.20000107.4P21 V22 Y24 V34 N58 V59 I141 F143P21-V37 CarbonylContact C-O 3.54Å; V22-V37 HydrophobicContact CB-CG1 4.3Å; V22-V37 PolarHBondContact N-O 2.67Å; Y24-V37 HydrophobicContact CD1-CB 3.78Å; Y24-V37 HydrophobicContact CD1-CG2 3.39Å; Y24-V37 HydrophobicContact CD2-CG2 4.22Å; Y24-V37 HydrophobicContact CE1-CB 4.29Å; Y24-V37 HydrophobicContact CE1-CG2 3.74Å; Y24-V37 HydrophobicContact CG-CB 4.35Å; Y24-V37 HydrophobicContact CG-CG2 3.66Å; V34-V37 HydrophobicContact CG1-CG2 4.11Å; V37-N58 WeakPolarHBondContact CA-O 3.49Å; V37-V59 HydrophobicContact CG2-CG1 4.38Å; V37-I141 HydrophobicContact CB-CD1 4.33Å; V37-I141 HydrophobicContact CG1-CD1 3.82Å; V37-I141 HydrophobicContact CG2-CD1 3.47Å; V37-I141 VanDerWaalsContact CG2-CD1 3.47Å; V37-I141 HydrophobicContact CG2-CG2 4.11Å; V37-F143 HydrophobicContact CG1-CD1 4.48Å
38D97Very high96.5Very high45 Ų4552.9 Ų52.924%0.24130%0.3CS..EExtended strand (participates in β ladder)trans-130.1138.2179.1-71-75.1000110.1P21 V57 N58P21-D38 WeakPolarHBondContact CA-OD1 3.22Å; D38-V57 CarbonylContact O-C 3.55Å; D38-V57 WeakPolarHBondContact O-CA 3.03Å; D38-N58 HydrophobicContact CB-CB 4.32Å; D38-N58 PolarHBondContact N-O 2.99Å; D38-N58 PolarHBondContact O-N 2.61Å
39I96.6Very high96.5Very high13 Ų1352.6 Ų52.67%0.06729%0.292CS..EExtended strand (participates in β ladder)trans-125123.9176-60.5174000107.5V22 P41 C42 Y55 T56 V57 F143V22-I39 HydrophobicContact CB-CD1 4.47Å; V22-I39 HydrophobicContact CG1-CD1 4.16Å; V22-I39 HydrophobicContact CG2-CB 3.87Å; V22-I39 HydrophobicContact CG2-CD1 3.9Å; V22-I39 HydrophobicContact CG2-CG1 3.75Å; I39-P41 CarbonylContact O-C 3.51Å; I39-C42 HydrophobicContact CB-CB 4.08Å; I39-C42 HydrophobicContact CG2-CB 4.18Å; I39-C42 WeakPolarHBondContact O-CB 3.45Å; I39-C42 PolarHBondContact O-N 2.89Å; I39-Y55 HydrophobicContact CG2-CD1 4.43Å; I39-T56 CarbonylContact C-O 3.6Å; I39-T56 WeakPolarHBondContact CA-O 3.24Å; I39-V57 HydrophobicContact CG1-CG2 4.26Å; I39-F143 HydrophobicContact CD1-CD2 3.62Å; I39-F143 HydrophobicContact CD1-CE2 3.32Å; I39-F143 HydrophobicContact CD1-CG 4.46Å; I39-F143 HydrophobicContact CD1-CZ 3.96Å
40N95.3Very high96.5Very high100 Ų10055.3 Ų55.354%0.53530%0.303SS..EExtended strand (participates in β ladder)trans-122.3128.5-179.5-177.857000111.3Y55 T56N40-Y55 WeakPolarHBondContact O-CA 3.38Å; N40-T56 PolarHBondContact N-O 2.85Å; N40-T56 PolarHBondContact O-N 3.37Å
41P94.8Very high96.5Very high66 Ų6651.9 Ų51.943%0.42928%0.279SS..SBendcis-75.8142.1-9.829.4-33.2000112.9I39 Y55I39-P41 CarbonylContact O-C 3.51Å; P41-Y55 HydrophobicContact CG-CD1 4.06Å; P41-Y55 HydrophobicContact CG-CE1 3.76Å; P41-Y55 WeakPolarHBondContact O-CD1 3.41Å; P41-Y55 WeakPolarHBondContact O-CE1 3.34Å
42C94.9Very high96.5Very high21 Ų2154.1 Ų54.114%0.14230%0.303CS..  trans-150.482.4169.4-1780000111.1I39 N44 C47I39-C42 HydrophobicContact CB-CB 4.08Å; I39-C42 HydrophobicContact CG2-CB 4.18Å; I39-C42 WeakPolarHBondContact O-CB 3.45Å; I39-C42 PolarHBondContact O-N 2.89Å; C42-N44 VanDerWaalsContact C-N 3.31Å; C42-N44 PolarHBondContact O-N 2.83Å; C42-N44 PolarHBondContact SG-O 2.78Å; C42-C47 HydrophobicContact CB-CB 3.92Å; C42-C47 WeakPolarHBondContact CB-SG 3.37Å; C42-C47 WeakPolarHBondContact SG-CA 3.21Å; C42-C47 WeakPolarHBondContact SG-CB 3.19Å; C42-C47 CovalentContact SG-SG 2.03Å; C42-C47 PolarHBondContact SG-SG 2.04Å
43P91.8Very high96.4Very high105 Ų10557.9 Ų57.968%0.68232%0.322SS*.SBendtrans-73.7-22.3-176.529.1-35.2000113.5
44N91.5Very high96.3Very high117 Ų11754.9 Ų54.963%0.62632%0.319SS*.SBendtrans-139148.1179.6-62.8-73.9000109.7C42 P46 C47C42-N44 VanDerWaalsContact C-N 3.31Å; C42-N44 PolarHBondContact O-N 2.83Å; C42-N44 PolarHBondContact SG-O 2.78Å; N44-P46 CarbonylContact O-C 3.3Å; N44-C47 WeakPolarHBondContact O-CA 3.29Å
45Q94.1Very high96.2Very high72 Ų7255 Ų5534%0.33632%0.318SS..SBendtrans-110.5139.4178.3-64.5-179.839.300111.1P21P21-Q45 PolarHBondContact O-NE2 3.3Å
46P95.8Very high96.1Very high57 Ų5751.9 Ų51.937%0.3730%0.304SS..SBendcis-64.8146.2-2.129.1-35.7000112N44 Q48 P144N44-P46 CarbonylContact O-C 3.3Å; P46-Q48 PolarHBondContact O-N 2.89Å; P46-P144 HydrophobicContact CB-CB 4.12Å; P46-P144 HydrophobicContact CB-CG 4.15Å; P46-P144 WeakPolarHBondContact CB-O 3.48Å
47C96.8Very high96.1Very high1 Ų151.8 Ų51.81%0.00730%0.3CS..EExtended strand (participates in β ladder)trans-60.5126.6-175.1-58.80000110.5C42 N44 L49 V145 Q146C42-C47 HydrophobicContact CB-CB 3.92Å; C42-C47 WeakPolarHBondContact CB-SG 3.37Å; C42-C47 WeakPolarHBondContact SG-CA 3.21Å; C42-C47 WeakPolarHBondContact SG-CB 3.19Å; C42-C47 CovalentContact SG-SG 2.03Å; C42-C47 PolarHBondContact SG-SG 2.04Å; N44-C47 WeakPolarHBondContact O-CA 3.29Å; C47-L49 HydrophobicContact CB-CD2 4.03Å; C47-L49 PolarHBondContact O-N 3.38Å; C47-V145 HydrophobicContact CB-CG1 4.47Å; C47-Q146 PolarHBondContact O-N 3.29Å
48Q97.4Very high96.1Very high99 Ų9953.4 Ų53.446%0.46331%0.309SS..EExtended strand (participates in β ladder)trans-85.6109.3172.7-69.8-173.6-20.900109.2P46 Y55 Q146 V148P46-Q48 PolarHBondContact O-N 2.89Å; Q48-Y55 PolarHBondContact O-OH 3.2Å; Q48-Q146 CarbonylContact C-O 3.48Å; Q48-Q146 WeakPolarHBondContact CA-O 3.43Å; Q48-V148 HydrophobicContact CB-CG2 4.15Å; Q48-V148 HydrophobicContact CG-CG1 4.49Å
49L97.4Very high96.2Very high23 Ų2351.3 Ų51.312%0.1230%0.298CS..EExtended strand (participates in β ladder)trans-97.2102.8-177.8-56.7-169.5000109C47 Y55 V115 V145 Q146 I147 V148C47-L49 HydrophobicContact CB-CD2 4.03Å; C47-L49 PolarHBondContact O-N 3.38Å; L49-Y55 WeakPolarHBondContact CA-OH 3.46Å; L49-Y55 HydrophobicContact CB-CD2 4.47Å; L49-Y55 HydrophobicContact CB-CE2 4.12Å; L49-Y55 HydrophobicContact CD2-CD1 3.5Å; L49-Y55 HydrophobicContact CD2-CD2 3.91Å; L49-Y55 HydrophobicContact CD2-CE1 3.61Å; L49-Y55 HydrophobicContact CD2-CE2 4.03Å; L49-Y55 HydrophobicContact CD2-CG 3.66Å; L49-V115 HydrophobicContact CB-CG2 3.91Å; L49-V115 HydrophobicContact CD1-CG2 4.41Å; L49-V145 HydrophobicContact CD1-CB 3.88Å; L49-V145 HydrophobicContact CD1-CG1 4.07Å; L49-V145 HydrophobicContact CD1-CG2 3.97Å; L49-V145 HydrophobicContact CG-CB 4.17Å; L49-Q146 PolarHBondContact N-O 2.75Å; L49-I147 WeakPolarHBondContact O-CA 3.48Å; L49-V148 PolarHBondContact O-N 2.84Å
50H97.9Very high96.3Very high72 Ų7252.1 Ų52.133%0.33330%0.303SS..EExtended strand (participates in β ladder)trans-76.5136.1179.4-70.5-90.9000110.8N53 Y55 V115 V148 N149H50-N53 HydrophobicContact CB-CB 4.46Å; H50-N53 WeakPolarHBondContact O-CB 3.34Å; H50-N53 PolarHBondContact O-N 2.92Å; H50-Y55 PolarHBondContact CD2-OH 3.24Å; H50-Y55 PolarHBondContact N-OH 3.13Å; H50-V115 WeakPolarHBondContact O-CB 3.45Å; H50-V148 HydrophobicContact CB-CG2 4.38Å; H50-V148 WeakPolarHBondContact ND1-CG2 3.12Å; H50-N149 PolarHBondContact ND1-O 3.4Å
51K98.1Very high96.4Very high31 Ų3147.4 Ų47.414%0.13528%0.278CS..THydrogen-bonded Turntrans-61.9145.7174.7-73171.6-155-175.60111.3N53 V115 T117 Y119 S121 I147 V148 N149K51-N53 PolarHBondContact O-N 2.83Å; K51-V115 CarbonylContact C-O 3.59Å; K51-V115 HydrophobicContact CG-CG1 4.33Å; K51-T117 HydrophobicContact CB-CG2 4.23Å; K51-Y119 WeakPolarHBondContact CE-O 3.43Å; K51-Y119 PolarHBondContact NZ-O 2.92Å; K51-S121 WeakPolarHBondContact CE-OG 3.28Å; K51-S121 PolarHBondContact NZ-OG 2.84Å; K51-I147 HydrophobicContact CG-CG2 4.1Å; K51-V148 WeakPolarHBondContact CG-O 3.26Å; K51-V148 PolarHBondContact N-O 3.1Å; K51-N149 WeakPolarHBondContact CE-OD1 3.24Å; K51-N149 PolarHBondContact NZ-OD1 2.97Å
52G97.1Very high96.6Very high53 Ų5345.6 Ų45.655%0.54627%0.266SS..THydrogen-bonded Turntrans78.4-11.4-175.300000114.4V115G52-V115 PolarHBondContact N-O 3.18Å
53N97.3Very high96.8Very high83 Ų8344.6 Ų44.644%0.44426%0.259SS..  trans-94.9163178.5-68.1-9.4000112.1H50 K51 Y55 V115H50-N53 HydrophobicContact CB-CB 4.46Å; H50-N53 WeakPolarHBondContact O-CB 3.34Å; H50-N53 PolarHBondContact O-N 2.92Å; K51-N53 PolarHBondContact O-N 2.83Å; N53-Y55 HydrophobicContact CB-CE2 3.83Å; N53-V115 PolarHBondContact O-N 3.04Å
54S96.3Very high97.1Very high76 Ų7643.9 Ų43.953%0.53125%0.25SC..EExtended strand (participates in β ladder)trans-112.1141.9173.7-66.10000110.8L113S54-L113 WeakPolarHBondContact CA-O 3.41Å
55Y96.8Very high97.5Very high13 Ų1340.2 Ų40.25%0.05123%0.231CC..EExtended strand (participates in β ladder)trans-127.3141.4178.8-67.2-98.8000109.6I39 N40 P41 Q48 L49 H50 N53 S112 L113 V115I39-Y55 HydrophobicContact CG2-CD1 4.43Å; N40-Y55 WeakPolarHBondContact O-CA 3.38Å; P41-Y55 HydrophobicContact CG-CD1 4.06Å; P41-Y55 HydrophobicContact CG-CE1 3.76Å; P41-Y55 WeakPolarHBondContact O-CD1 3.41Å; P41-Y55 WeakPolarHBondContact O-CE1 3.34Å; Q48-Y55 PolarHBondContact O-OH 3.2Å; L49-Y55 WeakPolarHBondContact CA-OH 3.46Å; L49-Y55 HydrophobicContact CB-CD2 4.47Å; L49-Y55 HydrophobicContact CB-CE2 4.12Å; L49-Y55 HydrophobicContact CD2-CD1 3.5Å; L49-Y55 HydrophobicContact CD2-CD2 3.91Å; L49-Y55 HydrophobicContact CD2-CE1 3.61Å; L49-Y55 HydrophobicContact CD2-CE2 4.03Å; L49-Y55 HydrophobicContact CD2-CG 3.66Å; H50-Y55 PolarHBondContact CD2-OH 3.24Å; H50-Y55 PolarHBondContact N-OH 3.13Å; N53-Y55 HydrophobicContact CB-CE2 3.83Å; Y55-S112 WeakPolarHBondContact O-CA 3.34Å; Y55-L113 PolarHBondContact N-O 3.01Å; Y55-L113 PolarHBondContact O-N 2.81Å; Y55-V115 HydrophobicContact CD2-CG2 3.63Å; Y55-V115 HydrophobicContact CE2-CG2 3.88Å
56T96.6Very high97.7Very high29 Ų2941.5 Ų41.518%0.17824%0.241CC..EExtended strand (participates in β ladder)trans-104.6122177.6-53.70000109.5I39 N40 Q110 A111 S112I39-T56 CarbonylContact C-O 3.6Å; I39-T56 WeakPolarHBondContact CA-O 3.24Å; N40-T56 PolarHBondContact N-O 2.85Å; N40-T56 PolarHBondContact O-N 3.37Å; T56-Q110 HydrophobicContact CG2-CG 3.52Å; T56-A111 CarbonylContact C-O 3.51Å; T56-A111 WeakPolarHBondContact CA-O 3.34Å; T56-S112 WeakPolarHBondContact CG2-OG 3.38Å; T56-S112 PolarHBondContact OG1-OG 2.78Å
57V97.4Very high97.8Very high11 Ų1138.9 Ų38.97%0.06722%0.223CC..EExtended strand (participates in β ladder)trans-95.6129.9169.4-175.40000108.2D38 I39 V59 Q110 A111 W128D38-V57 CarbonylContact O-C 3.55Å; D38-V57 WeakPolarHBondContact O-CA 3.03Å; I39-V57 HydrophobicContact CG1-CG2 4.26Å; V57-V59 HydrophobicContact CG1-CG2 4.21Å; V57-Q110 WeakPolarHBondContact O-CA 2.98Å; V57-A111 PolarHBondContact N-O 2.93Å; V57-A111 PolarHBondContact O-N 3.18Å; V57-W128 HydrophobicContact CB-CH2 4.23Å; V57-W128 HydrophobicContact CB-CZ3 4.08Å; V57-W128 HydrophobicContact CG1-CE3 4.39Å; V57-W128 HydrophobicContact CG1-CZ3 4.34Å; V57-W128 HydrophobicContact CG2-CE3 4.4Å; V57-W128 HydrophobicContact CG2-CH2 4.18Å; V57-W128 HydrophobicContact CG2-CZ3 3.71Å
58N97.8Very high97.9Very high35 Ų3544.3 Ų44.319%0.18725%0.253CS..EExtended strand (participates in β ladder)trans-118.7136.5170.2-61.5-89.5000109.2V37 D38 Y109 Q110V37-N58 WeakPolarHBondContact CA-O 3.49Å; D38-N58 HydrophobicContact CB-CB 4.32Å; D38-N58 PolarHBondContact N-O 2.99Å; D38-N58 PolarHBondContact O-N 2.61Å; N58-Y109 CarbonylContact C-O 3.56Å; N58-Y109 WeakPolarHBondContact CA-O 3.27Å; N58-Q110 WeakPolarHBondContact OD1-CB 3.22Å; N58-Q110 VanDerWaalsContact OD1-CG 3.26Å; N58-Q110 WeakPolarHBondContact OD1-CG 3.16Å; N58-Q110 PolarHBondContact OD1-NE2 3.42Å
59V98.5Very high97.9Very high0 Ų044.3 Ų44.30%025%0.251CS..EExtended strand (participates in β ladder)trans-128116.6174.9-1740000108.2V34 G36 V37 V57 Y109 F139 I141V34-V59 HydrophobicContact CG1-CG1 4.06Å; G36-V59 WeakPolarHBondContact O-CA 3.12Å; V37-V59 HydrophobicContact CG2-CG1 4.38Å; V57-V59 HydrophobicContact CG1-CG2 4.21Å; V59-Y109 HydrophobicContact CB-CD1 4.48Å; V59-Y109 HydrophobicContact CG2-CD1 4.32Å; V59-Y109 PolarHBondContact N-O 2.92Å; V59-Y109 PolarHBondContact O-N 3.41Å; V59-F139 HydrophobicContact CB-CE1 4.03Å; V59-F139 HydrophobicContact CB-CE2 4.34Å; V59-F139 HydrophobicContact CB-CZ 3.93Å; V59-F139 HydrophobicContact CG1-CD1 3.94Å; V59-F139 HydrophobicContact CG1-CD2 4.11Å; V59-F139 HydrophobicContact CG1-CE1 3.94Å; V59-F139 HydrophobicContact CG1-CE2 4.14Å; V59-F139 HydrophobicContact CG1-CG 4.03Å; V59-F139 HydrophobicContact CG1-CZ 4.05Å; V59-F139 HydrophobicContact CG2-CE2 4.11Å; V59-F139 HydrophobicContact CG2-CZ 3.99Å; V59-I141 HydrophobicContact CG1-CD1 4.34Å; V59-I141 HydrophobicContact CG2-CD1 3.56Å
60T98.6Very high97.9Very high31 Ų3143.3 Ų43.319%0.1925%0.246CC..EExtended strand (participates in β ladder)trans-91.4124.8171.8-51.20000108.3I35 G36 T106 Y107 N108I35-T60 HydrophobicContact CB-CG2 4.09Å; I35-T60 WeakPolarHBondContact CB-O 3.46Å; I35-T60 HydrophobicContact CD1-CG2 3.98Å; I35-T60 HydrophobicContact CG2-CG2 4.4Å; I35-T60 PolarHBondContact N-O 3.26Å; G36-T60 PolarHBondContact N-O 2.83Å; G36-T60 PolarHBondContact O-N 2.76Å; T60-T106 HydrophobicContact CG2-CG2 3.71Å; T60-Y107 WeakPolarHBondContact CA-O 3.45Å; T60-N108 WeakPolarHBondContact CB-OD1 3.39Å; T60-N108 WeakPolarHBondContact CG2-OD1 3.46Å; T60-N108 PolarHBondContact OG1-OD1 2.93Å
61F98.8Very high97.9Very high0 Ų042.4 Ų42.40%025%0.245CC..EExtended strand (participates in β ladder)trans-144.4153-179.373.8-80.5000111.3K33 I97 T106 Y107 L130 L138 F139K33-F61 CarbonylContact O-C 3.53Å; K33-F61 VanDerWaalsContact O-CA 3.24Å; K33-F61 WeakPolarHBondContact O-CA 3.28Å; K33-F61 WeakPolarHBondContact O-CB 3.46Å; F61-I97 HydrophobicContact CE1-CD1 3.88Å; F61-I97 HydrophobicContact CE1-CG1 4.45Å; F61-I97 HydrophobicContact CZ-CD1 3.93Å; F61-T106 CarbonylContact O-C 3.48Å; F61-T106 WeakPolarHBondContact O-CA 3.29Å; F61-Y107 HydrophobicContact CE2-CD2 4.28Å; F61-Y107 HydrophobicContact CZ-CD2 4.22Å; F61-Y107 HydrophobicContact CZ-CG 4.32Å; F61-Y107 PolarHBondContact N-O 2.63Å; F61-Y107 PolarHBondContact O-N 3.34Å; F61-L130 HydrophobicContact CE1-CD2 3.93Å; F61-L130 HydrophobicContact CZ-CD2 3.75Å; F61-L138 HydrophobicContact CD2-CB 4.23Å; F61-L138 HydrophobicContact CE2-CB 3.81Å; F61-L138 HydrophobicContact CE2-CD1 4.32Å; F61-L138 HydrophobicContact CE2-CG 4.45Å; F61-L138 HydrophobicContact CZ-CB 4.48Å; F61-L138 HydrophobicContact CZ-CD1 4.49Å; F61-F139 HydrophobicContact CB-CD1 4.24Å; F61-F139 AromaticContact CD1-CD1 3.63Å; F61-F139 HydrophobicContact CD1-CD1 3.63Å; F61-F139 AromaticContact CD1-CE1 3.9Å; F61-F139 HydrophobicContact CD1-CE1 3.9Å; F61-F139 HydrophobicContact CD2-CD1 4.38Å; F61-F139 HydrophobicContact CE1-CD1 4.04Å; F61-F139 HydrophobicContact CE1-CE1 4.03Å; F61-F139 AromaticContact CG-CD1 3.82Å; F61-F139 HydrophobicContact CG-CD1 3.82Å
62T98.8Very high98Very high29 Ų2941.2 Ų41.218%0.17824%0.241CC..EExtended strand (participates in β ladder)trans-101.2131.6169.8-54.10000109.1G32 K33 I35 E105 T106G32-T62 CarbonylContact C-O 3.55Å; G32-T62 WeakPolarHBondContact CA-O 3.43Å; K33-T62 PolarHBondContact N-O 2.93Å; K33-T62 PolarHBondContact O-N 3.1Å; I35-T62 VanDerWaalsContact CD1-OG1 3.28Å; I35-T62 WeakPolarHBondContact CD1-OG1 3.41Å; T62-E105 CarbonylContact C-O 3.56Å; T62-E105 WeakPolarHBondContact CA-O 3.29Å; T62-T106 PolarHBondContact OG1-OG1 3.19Å
63S98.6Very high98Very high0 Ų041.3 Ų41.30%023%0.231CC..EExtended strand (participates in β ladder)trans-80140.9174.7-170.10000111.1V65 I101 G104 E105 L138S63-V65 PolarHBondContact OG-N 2.78Å; S63-V65 PolarHBondContact OG-O 3.42Å; S63-I101 WeakPolarHBondContact OG-CG2 3.12Å; S63-G104 WeakPolarHBondContact O-CA 3.26Å; S63-G104 PolarHBondContact O-N 2.87Å; S63-E105 PolarHBondContact N-O 3.38Å; S63-L138 WeakPolarHBondContact OG-CD2 3.22Å
64N98.6Very high98Very high90 Ų9037.8 Ų37.848%0.48121%0.213SC..SBendtrans-103.74.2170.3-63.3-35.8000112.4S31 G32 T103S31-N64 WeakPolarHBondContact O-CA 3.37Å; S31-N64 WeakPolarHBondContact O-CB 3.17Å; S31-N64 PolarHBondContact O-N 2.88Å; G32-N64 WeakPolarHBondContact CA-ND2 3.41Å; G32-N64 PolarHBondContact O-ND2 3.05Å; N64-T103 WeakPolarHBondContact O-CG2 3.5Å
65V98.6Very high98.1Very high40 Ų4036.2 Ų36.224%0.24220%0.197CC..SBendtrans-140.2161.6-178.1-58.50000111.3S63 T103 D132 L138S63-V65 PolarHBondContact OG-N 2.78Å; S63-V65 PolarHBondContact OG-O 3.42Å; V65-T103 VanDerWaalsContact CA-OG1 3.29Å; V65-T103 WeakPolarHBondContact CA-OG1 3.44Å; V65-T103 PolarHBondContact O-N 2.78Å; V65-D132 HydrophobicContact CG2-CB 4.33Å; V65-L138 HydrophobicContact CG2-CD2 3.81Å
66D98.6Very high98.1Very high99 Ų9936.4 Ų36.453%0.52920%0.203SC..  trans-85.3140.1165.4-66.3-10.7000109.3I101 K102 T103D66-I101 WeakPolarHBondContact CA-O 3.37Å; D66-K102 WeakPolarHBondContact OD1-CA 3.49Å; D66-T103 PolarHBondContact N-OG1 2.92Å; D66-T103 VanDerWaalsContact N-OG1 3.09Å; D66-T103 WeakPolarHBondContact OD1-CB 3.34Å; D66-T103 PolarHBondContact OD1-N 2.8Å; D66-T103 PolarHBondContact OD1-OG1 2.79Å
67S98.5Very high98.1Very high1 Ų136.5 Ų36.51%0.00720%0.202CC..BIsolated β-bridgetrans-151.3130.8176.5-165.70000111.9K69 P100 I101 N133S67-K69 PolarHBondContact OG-O 2.77Å; S67-P100 CarbonylContact O-C 3.58Å; S67-I101 PolarHBondContact N-O 3.3Å; S67-I101 WeakPolarHBondContact O-CB 3.25Å; S67-I101 PolarHBondContact O-N 3Å; S67-N133 PolarHBondContact OG-N 3.01Å; S67-N133 PolarHBondContact OG-OD1 2.88Å
68D98.2Very high97.9Very high116 Ų11638.4 Ų38.462%0.6221%0.213SC*.SBendtrans-79.4-26178.7-58.7-52.5000112.4N133D68-N133 PolarHBondContact N-ND2 2.82Å; D68-N133 VanDerWaalsContact N-ND2 3.19Å; D68-N133 PolarHBondContact OD2-ND2 3.47Å
69K97.2Very high97.7Very high99 Ų9940.6 Ų40.643%0.4325%0.245SC..  trans-126.2162.6176.786-157.5163162.40111.3S67 N133S67-K69 PolarHBondContact OG-O 2.77Å; K69-N133 WeakPolarHBondContact CG-OD1 3.44Å; K69-N133 PolarHBondContact N-OD1 2.82Å; K69-N133 VanDerWaalsContact N-OD1 3.1Å
70S98.3Very high97.4Very high1 Ų143.7 Ų43.71%0.00728%0.276CS..  trans-142.7142.4165.2560000110.1G92 C93 T131S70-G92 PolarHBondContact O-N 3.17Å; S70-G92 VanDerWaalsContact OG-C 3.3Å; S70-G92 VanDerWaalsContact OG-CA 3.26Å; S70-G92 WeakPolarHBondContact OG-CA 3.47Å; S70-C93 PolarHBondContact OG-N 2.92Å; S70-T131 CarbonylContact C-O 3.6Å; S70-T131 WeakPolarHBondContact CA-O 3.37Å
71T98.5Very high97.2Very high53 Ų5347.6 Ų47.633%0.32530%0.295SS..EExtended strand (participates in β ladder)trans-130.3122-176.9-48.60000111P90 L130 T131T71-P90 CarbonylContact C-O 3.42Å; T71-P90 WeakPolarHBondContact CA-O 3.42Å; T71-P90 HydrophobicContact CG2-CB 4.32Å; T71-L130 WeakPolarHBondContact O-CA 3.47Å; T71-T131 PolarHBondContact N-O 2.85Å; T71-T131 PolarHBondContact O-N 2.74Å; T71-T131 PolarHBondContact O-OG1 2.93Å
72A98.4Very high97Very high6 Ų651.2 Ų51.25%0.0532%0.319CS..EExtended strand (participates in β ladder)trans-86.3134.6178.700000111.3I87 P90 Y109 E129 L130A72-I87 HydrophobicContact CB-CD1 3.63Å; A72-P90 PolarHBondContact N-O 2.7Å; A72-Y109 HydrophobicContact CB-CE2 4.06Å; A72-Y109 WeakPolarHBondContact CB-OH 3.45Å; A72-E129 CarbonylContact C-O 3.52Å; A72-E129 VanDerWaalsContact CA-O 3.25Å; A72-E129 WeakPolarHBondContact CA-O 3.33Å; A72-L130 HydrophobicContact CB-CD1 3.95Å
73V97.8Very high96.9Very high55 Ų5554.1 Ų54.133%0.33333%0.332SS..EExtended strand (participates in β ladder)trans-128.9134.8176.9-176.10000108H75 E129V73-H75 VanDerWaalsContact CG1-CE1 3.44Å; V73-H75 WeakPolarHBondContact CG1-CE1 3.38Å; V73-E129 HydrophobicContact CB-CB 4.31Å; V73-E129 PolarHBondContact N-O 3.04Å; V73-E129 PolarHBondContact O-N 2.86Å
74V97.9Very high96.7Very high9 Ų958.7 Ų58.76%0.05536%0.362CS..EExtended strand (participates in β ladder)trans-131.7134-175.2-174.60000110.1F85 I87 V126 E127 W128V74-F85 HydrophobicContact CB-CB 4.3Å; V74-F85 HydrophobicContact CG1-CB 4.12Å; V74-F85 HydrophobicContact CG1-CD1 4.41Å; V74-F85 PolarHBondContact O-N 2.88Å; V74-I87 HydrophobicContact CB-CG2 4.23Å; V74-I87 HydrophobicContact CG2-CD1 4.2Å; V74-I87 HydrophobicContact CG2-CG2 3.8Å; V74-V126 HydrophobicContact CG1-CG1 4.03Å; V74-E127 WeakPolarHBondContact CA-O 3.46Å; V74-W128 HydrophobicContact CG1-CD2 4.45Å; V74-W128 HydrophobicContact CG1-CE3 4.12Å; V74-W128 HydrophobicContact CG1-CZ3 4.47Å; V74-W128 HydrophobicContact CG2-CD2 3.55Å; V74-W128 HydrophobicContact CG2-CE3 3.92Å; V74-W128 HydrophobicContact CG2-CG 3.95Å; V74-W128 HydrophobicContact CG2-CH2 4.22Å; V74-W128 HydrophobicContact CG2-CZ2 3.84Å; V74-W128 HydrophobicContact CG2-CZ3 4.24Å
75H97.7Very high96.5Very high43 Ų4357.6 Ų57.620%0.19935%0.353CS..EExtended strand (participates in β ladder)trans-127.2139.1174.1-60.595000110.5V73 P82 I83 E127 E129V73-H75 VanDerWaalsContact CG1-CE1 3.44Å; V73-H75 WeakPolarHBondContact CG1-CE1 3.38Å; H75-P82 HydrophobicContact CB-CB 4.44Å; H75-I83 CarbonylContact C-O 3.59Å; H75-I83 WeakPolarHBondContact CA-O 3.25Å; H75-E127 HydrophobicContact CB-CB 4.25Å; H75-E127 PolarHBondContact N-O 2.99Å; H75-E127 PolarHBondContact O-N 2.81Å; H75-E129 IonicContact CE1-OE2 3.76Å; H75-E129 IonicContact ND1-OE2 3.51Å
76G96.4Very high96.3Very high18 Ų1861.3 Ų61.319%0.18638%0.38CS..EExtended strand (participates in β ladder)trans-97.6117.5165.600000109.9I83G76-I83 PolarHBondContact N-O 3.45Å; G76-I83 WeakPolarHBondContact O-CB 3.39Å; G76-I83 PolarHBondContact O-N 2.94Å
77I97Very high96.1Very high31 Ų3157.4 Ų57.416%0.15936%0.359CS..EExtended strand (participates in β ladder)trans-92.1113.6177.1-54.3166.6000108.9I81 P82 C124 V125 E127 K142I77-I81 WeakPolarHBondContact CA-O 3.37Å; I77-P82 HydrophobicContact CG1-CB 4.36Å; I77-C124 WeakPolarHBondContact O-CA 3.4Å; I77-C124 WeakPolarHBondContact O-CB 3.39Å; I77-V125 HydrophobicContact CB-CB 4.2Å; I77-V125 HydrophobicContact CD1-CB 4.39Å; I77-V125 HydrophobicContact CD1-CG1 4.25Å; I77-V125 PolarHBondContact N-O 3.02Å; I77-V125 PolarHBondContact O-N 2.87Å; I77-V125 VanDerWaalsContact O-N 3.08Å; I77-E127 HydrophobicContact CD1-CB 4.18Å; I77-K142 HydrophobicContact CD1-CD 4.37Å
78V94.4Very high95.9Very high50 Ų5062.2 Ų62.230%0.30339%0.391SS..EExtended strand (participates in β ladder)trans-121.3121.6179.3-179.10000108.6G80 I81 I83 I122 C124V78-G80 PolarHBondContact O-N 2.87Å; V78-I81 PolarHBondContact N-O 2.87Å; V78-I81 PolarHBondContact O-N 2.86Å; V78-I83 HydrophobicContact CB-CD1 4.29Å; V78-I83 HydrophobicContact CG2-CD1 4.29Å; V78-I122 HydrophobicContact CG1-CD1 3.56Å; V78-C124 HydrophobicContact CG2-CB 3.87Å
79G92.1Very high95.8Very high82 Ų8259.5 Ų59.585%0.84538%0.378SS*.THydrogen-bonded Turntrans59.626.7-177.200000114I81G79-I81 VanDerWaalsContact C-N 3.33Å
80G91.7Very high95.8Very high64 Ų6457.7 Ų57.766%0.6638%0.376SS*.THydrogen-bonded Turntrans84.6-1.8-176.600000115.1V78V78-G80 PolarHBondContact O-N 2.87Å
81I94.9Very high95.8Very high113 Ų11360.6 Ų60.658%0.57939%0.392SS*.EExtended strand (participates in β ladder)trans-98.6122.2179.9-57.3174.2000109.2I77 V78 G79I77-I81 WeakPolarHBondContact CA-O 3.37Å; V78-I81 PolarHBondContact N-O 2.87Å; V78-I81 PolarHBondContact O-N 2.86Å; G79-I81 VanDerWaalsContact C-N 3.33Å
82P95.4Very high95.8Very high77 Ų7758.1 Ų58.150%0.538%0.376SS..EExtended strand (participates in β ladder)trans-75.7126.617530.4-32.7000110.7H75 I77H75-P82 HydrophobicContact CB-CB 4.44Å; I77-P82 HydrophobicContact CG1-CB 4.36Å
83I95.3Very high95.7Very high90 Ų9059.4 Ų59.446%0.46239%0.385SS..EExtended strand (participates in β ladder)trans-115.5120.9178.1-56174000108.1H75 G76 V78 F85H75-I83 CarbonylContact C-O 3.59Å; H75-I83 WeakPolarHBondContact CA-O 3.25Å; G76-I83 PolarHBondContact N-O 3.45Å; G76-I83 WeakPolarHBondContact O-CB 3.39Å; G76-I83 PolarHBondContact O-N 2.94Å; V78-I83 HydrophobicContact CB-CD1 4.29Å; V78-I83 HydrophobicContact CG2-CD1 4.29Å; I83-F85 PolarHBondContact O-N 2.84Å
84P95.4Very high95.7Very high96 Ų9666 Ų6662%0.62340%0.404SS*.EExtended strand (participates in β ladder)trans-58.9136.7178.2-24.233.6000112.4
85F94.4Very high95.7Very high67 Ų6766 Ų6629%0.29441%0.405SS..  trans-119109.4175.8-171-90.7000110.1V74 I83 I87 L113 Y119V74-F85 HydrophobicContact CB-CB 4.3Å; V74-F85 HydrophobicContact CG1-CB 4.12Å; V74-F85 HydrophobicContact CG1-CD1 4.41Å; V74-F85 PolarHBondContact O-N 2.88Å; I83-F85 PolarHBondContact O-N 2.84Å; F85-I87 HydrophobicContact CD1-CG2 3.83Å; F85-I87 HydrophobicContact CE1-CG2 4.11Å; F85-I87 PolarHBondContact O-N 2.76Å; F85-L113 HydrophobicContact CE1-CD1 3.99Å; F85-Y119 HydrophobicContact CE2-CE2 4.05Å; F85-Y119 AromaticContact CE2-CZ 3.82Å; F85-Y119 VanDerWaalsContact CE2-OH 3.27Å; F85-Y119 WeakPolarHBondContact CE2-OH 3.49Å; F85-Y119 HydrophobicContact CZ-CE2 4.38Å
86S93.3Very high95.6Very high117 Ų11767 Ų6782%0.81843%0.426SS*.  trans-72.5115.7178.6-55.30000111
87I95.1Very high95.7Very high17 Ų1766.3 Ų66.39%0.08742%0.418CS..  trans-92148.1173.559.6175.4000111.4A72 V74 F85 V89 P90 L113A72-I87 HydrophobicContact CB-CD1 3.63Å; V74-I87 HydrophobicContact CB-CG2 4.23Å; V74-I87 HydrophobicContact CG2-CD1 4.2Å; V74-I87 HydrophobicContact CG2-CG2 3.8Å; F85-I87 HydrophobicContact CD1-CG2 3.83Å; F85-I87 HydrophobicContact CE1-CG2 4.11Å; F85-I87 PolarHBondContact O-N 2.76Å; I87-V89 VanDerWaalsContact C-N 3.32Å; I87-V89 PolarHBondContact O-N 2.93Å; I87-P90 HydrophobicContact CG1-CG 4.33Å; I87-L113 HydrophobicContact CB-CD2 4.11Å; I87-L113 HydrophobicContact CG2-CD1 3.85Å; I87-L113 HydrophobicContact CG2-CD2 3.83Å; I87-L113 HydrophobicContact CG2-CG 4.5Å
88P93.7Very high95.7Very high103 Ų10372.2 Ų72.267%0.66945%0.445SS*.SBendtrans-65.8-31.6-176.1-22.433.5000114.4
89V96.6Very high95.8Very high59 Ų5971 Ų7136%0.35844%0.439SS..  trans-126.290.3-179.4-173.30000108.6I87 D91 R94I87-V89 VanDerWaalsContact C-N 3.32Å; I87-V89 PolarHBondContact O-N 2.93Å; V89-D91 VanDerWaalsContact C-N 3.33Å; V89-R94 HydrophobicContact CG1-CB 3.87Å
90P97.4Very high96.1Very high60 Ų6070 Ų7039%0.3942%0.417SS..  trans-73.3-25175.1-19.133000113.2T71 A72 I87 G92T71-P90 CarbonylContact C-O 3.42Å; T71-P90 WeakPolarHBondContact CA-O 3.42Å; T71-P90 HydrophobicContact CG2-CB 4.32Å; A72-P90 PolarHBondContact N-O 2.7Å; I87-P90 HydrophobicContact CG1-CG 4.33Å; P90-G92 PolarHBondContact O-N 2.85Å; P90-G92 VanDerWaalsContact O-N 3.14Å
91D98.1Very high96.4Very high63 Ų6367 Ų6734%0.33739%0.386SS..BIsolated β-bridgetrans-71106.9-179.5-178.7-2.9000110.9V89 C93 R94V89-D91 VanDerWaalsContact C-N 3.33Å; D91-C93 PolarHBondContact O-N 2.95Å; D91-C93 VanDerWaalsContact OD1-CB 3.25Å; D91-C93 WeakPolarHBondContact OD1-CB 3.39Å; D91-C93 PolarHBondContact OD1-N 3.1Å; D91-R94 HydrophobicContact CB-CB 4.44Å; D91-R94 HydrophobicContact CB-CG 4.28Å; D91-R94 WeakPolarHBondContact O-CB 3.17Å; D91-R94 PolarHBondContact O-N 3.23Å; D91-R94 WeakPolarHBondContact OD2-CD 3.38Å; D91-R94 WeakPolarHBondContact OD2-CG 3.4Å
92G97.9Very high96.6Very high0 Ų065.7 Ų65.70%038%0.376CS..G310 helixtrans-64.2-27.6-178.100000113.3S70 P90 R94 S95 I97S70-G92 PolarHBondContact O-N 3.17Å; S70-G92 VanDerWaalsContact OG-C 3.3Å; S70-G92 VanDerWaalsContact OG-CA 3.26Å; S70-G92 WeakPolarHBondContact OG-CA 3.47Å; P90-G92 PolarHBondContact O-N 2.85Å; P90-G92 VanDerWaalsContact O-N 3.14Å; G92-R94 PolarHBondContact O-N 2.03Å; G92-R94 VanDerWaalsContact O-N 3.1Å; G92-S95 PolarHBondContact O-N 2.89Å; G92-I97 WeakPolarHBondContact O-CB 3.07Å
93C98.1Very high96.7Very high34 Ų3465.7 Ų65.723%0.2338%0.375CS..G310 helixtrans-66.2-10.8174.1-58.40000112.6S70 D91 I97 C99S70-C93 PolarHBondContact OG-N 2.92Å; D91-C93 PolarHBondContact O-N 2.95Å; D91-C93 VanDerWaalsContact OD1-CB 3.25Å; D91-C93 WeakPolarHBondContact OD1-CB 3.39Å; D91-C93 PolarHBondContact OD1-N 3.1Å; C93-I97 CarbonylContact C-O 3.54Å; C93-I97 WeakPolarHBondContact CA-O 3.02Å; C93-C99 VanDerWaalsContact CA-SG 3.59Å; C93-C99 HydrophobicContact CB-CB 3.72Å; C93-C99 WeakPolarHBondContact CB-SG 3.02Å; C93-C99 WeakPolarHBondContact SG-CB 3.37Å; C93-C99 CovalentContact SG-SG 2.02Å; C93-C99 PolarHBondContact SG-SG 3.26Å
94R98.1Very high96.9Very high192 Ų19264 Ų6473%0.72538%0.379SS*.G310 helixtrans-108.89.2174.8-60.4-177.964.5-175.3-1.5112.7V89 D91 G92V89-R94 HydrophobicContact CG1-CB 3.87Å; D91-R94 HydrophobicContact CB-CB 4.44Å; D91-R94 HydrophobicContact CB-CG 4.28Å; D91-R94 WeakPolarHBondContact O-CB 3.17Å; D91-R94 PolarHBondContact O-N 3.23Å; D91-R94 WeakPolarHBondContact OD2-CD 3.38Å; D91-R94 WeakPolarHBondContact OD2-CG 3.4Å; G92-R94 PolarHBondContact O-N 2.03Å; G92-R94 VanDerWaalsContact O-N 3.1Å
95S97.6Very high97Very high11 Ų1164 Ų648%0.07737%0.371CS..THydrogen-bonded Turntrans-125.147.3-174.5-68.80000111.3G92 Y109 Q110G92-S95 PolarHBondContact O-N 2.89Å; S95-Y109 VanDerWaalsContact CB-CE2 3.41Å; S95-Y109 CarbonylContact O-C 3.59Å; S95-Y109 WeakPolarHBondContact O-CA 3.42Å; S95-Q110 VanDerWaalsContact CB-O 3.28Å; S95-Q110 WeakPolarHBondContact CB-O 3.26Å; S95-Q110 PolarHBondContact O-N 2.96Å
96G95Very high97.2Very high63 Ų6364.4 Ų64.465%0.64938%0.379SS*.THydrogen-bonded Turntrans89.2-5.117700000115.6N108G96-N108 CarbonylContact C-O 3.53Å; G96-N108 VanDerWaalsContact C-O 3.3Å
97I97.9Very high97.5Very high4 Ų459.7 Ų59.72%0.02134%0.343CS..  trans-98.2124.2179-54.4173.2000109.8F61 G92 C93 C99 I101 Y107 Y109 L130F61-I97 HydrophobicContact CE1-CD1 3.88Å; F61-I97 HydrophobicContact CE1-CG1 4.45Å; F61-I97 HydrophobicContact CZ-CD1 3.93Å; G92-I97 WeakPolarHBondContact O-CB 3.07Å; C93-I97 CarbonylContact C-O 3.54Å; C93-I97 WeakPolarHBondContact CA-O 3.02Å; I97-C99 PolarHBondContact O-N 2.02Å; I97-I101 HydrophobicContact CG2-CD1 3.85Å; I97-I101 HydrophobicContact CG2-CG1 3.67Å; I97-Y107 HydrophobicContact CG2-CD1 3.79Å; I97-Y107 HydrophobicContact CG2-CE1 4.33Å; I97-Y107 HydrophobicContact CG2-CG 4.16Å; I97-Y109 HydrophobicContact CD1-CD2 4.05Å; I97-L130 HydrophobicContact CD1-CD2 3.44Å; I97-L130 VanDerWaalsContact CD1-CD2 3.44Å
98Q96.7Very high97.6Very high155 Ų15563 Ų6372%0.72436%0.361SS*.  trans-83.8110.7171-176.360.451.200109.6
99C97Very high97.9Very high25 Ų2558 Ų5817%0.16933%0.329CS..SBendtrans-88.4153.6175.2-67.50000111.7C93 I97C93-C99 VanDerWaalsContact CA-SG 3.59Å; C93-C99 HydrophobicContact CB-CB 3.72Å; C93-C99 WeakPolarHBondContact CB-SG 3.02Å; C93-C99 WeakPolarHBondContact SG-CB 3.37Å; C93-C99 CovalentContact SG-SG 2.02Å; C93-C99 PolarHBondContact SG-SG 3.26Å; I97-C99 PolarHBondContact O-N 2.02Å
100P98.2Very high97.9Very high61 Ų6160 Ų6040%0.39633%0.334SS..SBendcis-71.9139.10.230.5-35000112.8S67S67-P100 CarbonylContact O-C 3.58Å
101I98.6Very high97.9Very high0 Ų057.7 Ų57.70%032%0.32CS..BIsolated β-bridgetrans-65.9138.8173-64.7174.9000108.8S63 D66 S67 I97 Y107 L138S63-I101 WeakPolarHBondContact OG-CG2 3.12Å; D66-I101 WeakPolarHBondContact CA-O 3.37Å; S67-I101 PolarHBondContact N-O 3.3Å; S67-I101 WeakPolarHBondContact O-CB 3.25Å; S67-I101 PolarHBondContact O-N 3Å; I97-I101 HydrophobicContact CG2-CD1 3.85Å; I97-I101 HydrophobicContact CG2-CG1 3.67Å; I101-Y107 WeakPolarHBondContact CA-OH 3.06Å; I101-Y107 HydrophobicContact CB-CE2 4.4Å; I101-Y107 HydrophobicContact CG2-CD2 4.3Å; I101-Y107 HydrophobicContact CG2-CE2 3.64Å; I101-L138 HydrophobicContact CD1-CD1 3.59Å
102K98.6Very high97.8Very high85 Ų8558 Ų5837%0.3733%0.327SS..  trans-118.1142.8-179.9-59.8-57.4-178.9-169.30111.8D66 G104 E105 Y107D66-K102 WeakPolarHBondContact OD1-CA 3.49Å; K102-G104 PolarHBondContact O-N 3.43Å; K102-E105 HydrophobicContact CB-CB 4.49Å; K102-E105 HydrophobicContact CB-CG 3.99Å; K102-E105 PolarHBondContact O-N 3.27Å; K102-Y107 PolarHBondContact N-OH 3.46Å
103T98.4Very high97.6Very high78 Ų7859.1 Ų59.148%0.47933%0.334SS..THydrogen-bonded Turntrans-58.6132.8175.7-56.20000110.9N64 V65 D66 E105N64-T103 WeakPolarHBondContact O-CG2 3.5Å; V65-T103 VanDerWaalsContact CA-OG1 3.29Å; V65-T103 WeakPolarHBondContact CA-OG1 3.44Å; V65-T103 PolarHBondContact O-N 2.78Å; D66-T103 PolarHBondContact N-OG1 2.92Å; D66-T103 VanDerWaalsContact N-OG1 3.09Å; D66-T103 WeakPolarHBondContact OD1-CB 3.34Å; D66-T103 PolarHBondContact OD1-N 2.8Å; D66-T103 PolarHBondContact OD1-OG1 2.79Å; T103-E105 PolarHBondContact O-N 3.21Å
104G98.4Very high97.5Very high53 Ų5360.6 Ų60.655%0.54634%0.342SS..THydrogen-bonded Turntrans82.4-9.7179.200000114.8S63 K102S63-G104 WeakPolarHBondContact O-CA 3.26Å; S63-G104 PolarHBondContact O-N 2.87Å; K102-G104 PolarHBondContact O-N 3.43Å
105E98.6Very high97.3Very high98 Ų9852 Ų5246%0.45831%0.311SS..  trans-82.5150.7176.8-69.4-169176.300112.1T62 S63 K102 T103 Y107T62-E105 CarbonylContact C-O 3.56Å; T62-E105 WeakPolarHBondContact CA-O 3.29Å; S63-E105 PolarHBondContact N-O 3.38Å; K102-E105 HydrophobicContact CB-CB 4.49Å; K102-E105 HydrophobicContact CB-CG 3.99Å; K102-E105 PolarHBondContact O-N 3.27Å; T103-E105 PolarHBondContact O-N 3.21Å; E105-Y107 HydrophobicContact CB-CD2 4.48Å; E105-Y107 HydrophobicContact CB-CE2 3.56Å; E105-Y107 WeakPolarHBondContact CB-OH 3.21Å; E105-Y107 PolarHBondContact OE2-OH 2.91Å
106T98.7Very high97.2Very high75 Ų7556 Ų5646%0.4633%0.327SS..EExtended strand (participates in β ladder)trans-105.6132178.1-63.50000110.3I35 T60 F61 T62I35-T106 HydrophobicContact CD1-CG2 3.57Å; T60-T106 HydrophobicContact CG2-CG2 3.71Å; F61-T106 CarbonylContact O-C 3.48Å; F61-T106 WeakPolarHBondContact O-CA 3.29Å; T62-T106 PolarHBondContact OG1-OG1 3.19Å
107Y98.6Very high97.3Very high17 Ų1758 Ų587%0.06733%0.327CS..EExtended strand (participates in β ladder)trans-123.6159-176.5-60.3-84.9000110.9T60 F61 I97 I101 K102 E105T60-Y107 WeakPolarHBondContact CA-O 3.45Å; F61-Y107 HydrophobicContact CE2-CD2 4.28Å; F61-Y107 HydrophobicContact CZ-CD2 4.22Å; F61-Y107 HydrophobicContact CZ-CG 4.32Å; F61-Y107 PolarHBondContact N-O 2.63Å; F61-Y107 PolarHBondContact O-N 3.34Å; I97-Y107 HydrophobicContact CG2-CD1 3.79Å; I97-Y107 HydrophobicContact CG2-CE1 4.33Å; I97-Y107 HydrophobicContact CG2-CG 4.16Å; I101-Y107 WeakPolarHBondContact CA-OH 3.06Å; I101-Y107 HydrophobicContact CB-CE2 4.4Å; I101-Y107 HydrophobicContact CG2-CD2 4.3Å; I101-Y107 HydrophobicContact CG2-CE2 3.64Å; K102-Y107 PolarHBondContact N-OH 3.46Å; E105-Y107 HydrophobicContact CB-CD2 4.48Å; E105-Y107 HydrophobicContact CB-CE2 3.56Å; E105-Y107 WeakPolarHBondContact CB-OH 3.21Å; E105-Y107 PolarHBondContact OE2-OH 2.91Å
108N98Very high97.1Very high86 Ų8664 Ų6446%0.4636%0.355SS..EExtended strand (participates in β ladder)trans-117.9107.7171-68.3-68.8000108.6T60 G96T60-N108 WeakPolarHBondContact CB-OD1 3.39Å; T60-N108 WeakPolarHBondContact CG2-OD1 3.46Å; T60-N108 PolarHBondContact OG1-OD1 2.93Å; G96-N108 CarbonylContact C-O 3.53Å; G96-N108 VanDerWaalsContact C-O 3.3Å
109Y98.5Very high97Very high0 Ų059.1 Ų59.10%033%0.33CS..EExtended strand (participates in β ladder)trans-78138.6167174.6-96.7000109.4N58 V59 A72 S95 I97 A111 W128 L130 F139N58-Y109 CarbonylContact C-O 3.56Å; N58-Y109 WeakPolarHBondContact CA-O 3.27Å; V59-Y109 HydrophobicContact CB-CD1 4.48Å; V59-Y109 HydrophobicContact CG2-CD1 4.32Å; V59-Y109 PolarHBondContact N-O 2.92Å; V59-Y109 PolarHBondContact O-N 3.41Å; A72-Y109 HydrophobicContact CB-CE2 4.06Å; A72-Y109 WeakPolarHBondContact CB-OH 3.45Å; S95-Y109 VanDerWaalsContact CB-CE2 3.41Å; S95-Y109 CarbonylContact O-C 3.59Å; S95-Y109 WeakPolarHBondContact O-CA 3.42Å; I97-Y109 HydrophobicContact CD1-CD2 4.05Å; Y109-A111 HydrophobicContact CE1-CB 3.8Å; Y109-W128 AromaticContact CE1-CE2 3.61Å; Y109-W128 AromaticContact CE1-CZ2 3.58Å; Y109-W128 HydrophobicContact CE1-CZ2 3.58Å; Y109-W128 AromaticContact CE1-NE1 3.37Å; Y109-W128 AromaticContact CZ-CZ2 3.89Å; Y109-W128 AromaticContact CZ-NE1 3.63Å; Y109-W128 VanDerWaalsContact OH-CZ2 3.3Å; Y109-W128 WeakPolarHBondContact OH-CZ2 3.45Å; Y109-W128 PolarHBondContact OH-NE1 2.86Å; Y109-L130 HydrophobicContact CD2-CD1 4.19Å; Y109-L130 HydrophobicContact CE2-CD1 4.16Å; Y109-F139 HydrophobicContact CD1-CE1 4.45Å; Y109-F139 AromaticContact CD1-CZ 3.9Å; Y109-F139 HydrophobicContact CD1-CZ 3.9Å; Y109-F139 HydrophobicContact CE1-CZ 4.46Å; Y109-F139 HydrophobicContact CG-CE1 4.14Å; Y109-F139 HydrophobicContact CG-CZ 4Å
110Q97.5Very high96.9Very high99 Ų9962.1 Ų62.146%0.46335%0.349SS..EExtended strand (participates in β ladder)trans-138.4129.9177.2-176.8176.5101.400111.6T56 V57 N58 S95T56-Q110 HydrophobicContact CG2-CG 3.52Å; V57-Q110 WeakPolarHBondContact O-CA 2.98Å; N58-Q110 WeakPolarHBondContact OD1-CB 3.22Å; N58-Q110 VanDerWaalsContact OD1-CG 3.26Å; N58-Q110 WeakPolarHBondContact OD1-CG 3.16Å; N58-Q110 PolarHBondContact OD1-NE2 3.42Å; S95-Q110 VanDerWaalsContact CB-O 3.28Å; S95-Q110 WeakPolarHBondContact CB-O 3.26Å; S95-Q110 PolarHBondContact O-N 2.96Å
111A97Very high96.8Very high12 Ų1262.2 Ų62.210%0.09935%0.351CS..EExtended strand (participates in β ladder)trans-137.6129.5172.500000111.5T56 V57 Y109 W128T56-A111 CarbonylContact C-O 3.51Å; T56-A111 WeakPolarHBondContact CA-O 3.34Å; V57-A111 PolarHBondContact N-O 2.93Å; V57-A111 PolarHBondContact O-N 3.18Å; Y109-A111 HydrophobicContact CE1-CB 3.8Å; A111-W128 HydrophobicContact CB-CH2 3.7Å; A111-W128 HydrophobicContact CB-CZ2 3.55Å
112S95.8Very high96.8Very high69 Ų6965.2 Ų65.248%0.48337%0.367SS..EExtended strand (participates in β ladder)trans-105.1121.7173.3-69.40000110.1Y55 T56Y55-S112 WeakPolarHBondContact O-CA 3.34Å; T56-S112 WeakPolarHBondContact CG2-OG 3.38Å; T56-S112 PolarHBondContact OG1-OG 2.78Å
113L94.4Very high96.7Very high25 Ų2568.3 Ų68.313%0.13138%0.38CS..EExtended strand (participates in β ladder)trans-125135.5-175.7-62.4176.5000111.2S54 Y55 F85 I87 W128S54-L113 WeakPolarHBondContact CA-O 3.41Å; Y55-L113 PolarHBondContact N-O 3.01Å; Y55-L113 PolarHBondContact O-N 2.81Å; F85-L113 HydrophobicContact CE1-CD1 3.99Å; I87-L113 HydrophobicContact CB-CD2 4.11Å; I87-L113 HydrophobicContact CG2-CD1 3.85Å; I87-L113 HydrophobicContact CG2-CD2 3.83Å; I87-L113 HydrophobicContact CG2-CG 4.5Å; L113-W128 HydrophobicContact CD1-CH2 3.48Å; L113-W128 VanDerWaalsContact CD1-CH2 3.48Å; L113-W128 HydrophobicContact CD1-CZ3 3.81Å; L113-W128 HydrophobicContact CG-CH2 4.29Å
114P94.9Very high96.6Very high64 Ų6465.4 Ų65.442%0.41636%0.363SS..EExtended strand (participates in β ladder)trans-78.3137.2171.332-33000110.9K116P114-K116 PolarHBondContact O-N 3.08Å
115V95.9Very high96.6Very high11 Ų1165.4 Ų65.47%0.06735%0.352CS..  trans-89.5102.1168.5-177.40000106.7L49 H50 K51 G52 N53 Y55 Y119 I147L49-V115 HydrophobicContact CB-CG2 3.91Å; L49-V115 HydrophobicContact CD1-CG2 4.41Å; H50-V115 WeakPolarHBondContact O-CB 3.45Å; K51-V115 CarbonylContact C-O 3.59Å; K51-V115 HydrophobicContact CG-CG1 4.33Å; G52-V115 PolarHBondContact N-O 3.18Å; N53-V115 PolarHBondContact O-N 3.04Å; Y55-V115 HydrophobicContact CD2-CG2 3.63Å; Y55-V115 HydrophobicContact CE2-CG2 3.88Å; V115-Y119 HydrophobicContact CG1-CD2 4.11Å; V115-I147 HydrophobicContact CG1-CG2 4.02Å
116K94.3Very high96.6Very high95 Ų9561.7 Ų61.741%0.41334%0.336SS..  trans-70.2149.8-172.1-53-173.5-175-179.70112.3P114 E118 Y119P114-K116 PolarHBondContact O-N 3.08Å; K116-E118 VanDerWaalsContact C-N 3.25Å; K116-E118 VanDerWaalsContact CB-CD 3.5Å; K116-E118 HydrophobicContact CB-CG 4.22Å; K116-E118 VanDerWaalsContact CB-OE2 3.26Å; K116-E118 WeakPolarHBondContact CB-OE2 3.4Å; K116-E118 WeakPolarHBondContact CD-OE1 3.46Å; K116-E118 PolarHBondContact O-N 2.75Å; K116-Y119 HydrophobicContact CB-CD1 4.07Å; K116-Y119 HydrophobicContact CB-CD2 4.1Å; K116-Y119 HydrophobicContact CB-CE1 3.87Å; K116-Y119 HydrophobicContact CB-CE2 3.87Å; K116-Y119 HydrophobicContact CB-CG 4.19Å; K116-Y119 HydrophobicContact CD-CE1 3.95Å; K116-Y119 HydrophobicContact CG-CE1 4.04Å; K116-Y119 HydrophobicContact CG-CE2 3.87Å; K116-Y119 VanDerWaalsContact N-CD2 3.26Å; K116-Y119 VanDerWaalsContact N-CE2 3.26Å; K116-Y119 WeakPolarHBondContact O-CB 3.44Å; K116-Y119 PolarHBondContact O-N 2.83Å; K116-Y119 VanDerWaalsContact O-N 3.1Å
117T96.4Very high96.6Very high105 Ų10559.5 Ų59.564%0.64432%0.321SS*.THydrogen-bonded Turntrans-64.5-27.8-178.616.20000113.4K51 Y119K51-T117 HydrophobicContact CB-CG2 4.23Å; T117-Y119 PolarHBondContact O-N 3.06Å
118E94.8Very high96.6Very high131 Ų13158.9 Ų58.961%0.61232%0.318SS*.THydrogen-bonded Turntrans-73-11.817563.9-96-145.600114.3K116K116-E118 VanDerWaalsContact C-N 3.25Å; K116-E118 VanDerWaalsContact CB-CD 3.5Å; K116-E118 HydrophobicContact CB-CG 4.22Å; K116-E118 VanDerWaalsContact CB-OE2 3.26Å; K116-E118 WeakPolarHBondContact CB-OE2 3.4Å; K116-E118 WeakPolarHBondContact CD-OE1 3.46Å; K116-E118 PolarHBondContact O-N 2.75Å
119Y94Very high96.6Very high53 Ų5356.6 Ų56.621%0.20831%0.305CS..SBendtrans-67.7141.4-179.1-64.8-15.6000111.6K51 F85 V115 K116 T117K51-Y119 WeakPolarHBondContact CE-O 3.43Å; K51-Y119 PolarHBondContact NZ-O 2.92Å; F85-Y119 HydrophobicContact CE2-CE2 4.05Å; F85-Y119 AromaticContact CE2-CZ 3.82Å; F85-Y119 VanDerWaalsContact CE2-OH 3.27Å; F85-Y119 WeakPolarHBondContact CE2-OH 3.49Å; F85-Y119 HydrophobicContact CZ-CE2 4.38Å; V115-Y119 HydrophobicContact CG1-CD2 4.11Å; K116-Y119 HydrophobicContact CB-CD1 4.07Å; K116-Y119 HydrophobicContact CB-CD2 4.1Å; K116-Y119 HydrophobicContact CB-CE1 3.87Å; K116-Y119 HydrophobicContact CB-CE2 3.87Å; K116-Y119 HydrophobicContact CB-CG 4.19Å; K116-Y119 HydrophobicContact CD-CE1 3.95Å; K116-Y119 HydrophobicContact CG-CE1 4.04Å; K116-Y119 HydrophobicContact CG-CE2 3.87Å; K116-Y119 VanDerWaalsContact N-CD2 3.26Å; K116-Y119 VanDerWaalsContact N-CE2 3.26Å; K116-Y119 WeakPolarHBondContact O-CB 3.44Å; K116-Y119 PolarHBondContact O-N 2.83Å; K116-Y119 VanDerWaalsContact O-N 3.1Å; T117-Y119 PolarHBondContact O-N 3.06Å
120P94.6Very high96.6Very high87 Ų8756.6 Ų56.657%0.56531%0.305SS*.  trans-68.6146.4176.329.1-34.4000110.8I122 I147P120-I122 HydrophobicContact CG-CG2 4.36Å; P120-I122 PolarHBondContact O-N 3.26Å; P120-I147 WeakPolarHBondContact O-CB 3.3Å; P120-I147 WeakPolarHBondContact O-CG2 3.33Å
121S97.7Very high96.7Very high63 Ų6352.6 Ų52.644%0.44129%0.287SS..  trans-77.4105.5171.1-550000109K51 I147 N149K51-S121 WeakPolarHBondContact CE-OG 3.28Å; K51-S121 PolarHBondContact NZ-OG 2.84Å; S121-I147 CarbonylContact C-O 3.46Å; S121-I147 VanDerWaalsContact CA-O 3.22Å; S121-I147 WeakPolarHBondContact CA-O 3.38Å; S121-I147 WeakPolarHBondContact CB-O 3.43Å; S121-N149 PolarHBondContact OG-OD1 2.93Å
122I96.8Very high96.7Very high63 Ų6352.5 Ų52.532%0.32329%0.285SS..  trans-151.6159-171.3-160.6163.4000111.3V78 P120 Q146 I147V78-I122 HydrophobicContact CG1-CD1 3.56Å; P120-I122 HydrophobicContact CG-CG2 4.36Å; P120-I122 PolarHBondContact O-N 3.26Å; I122-Q146 CarbonylContact O-C 3.59Å; I122-Q146 WeakPolarHBondContact O-CA 3.47Å; I122-I147 PolarHBondContact N-O 2.9Å; I122-I147 VanDerWaalsContact N-O 3.17Å; I122-I147 PolarHBondContact O-N 3.47Å
123K97Very high96.7Very high150 Ų15052.3 Ų52.365%0.65228%0.279SS*.EExtended strand (participates in β ladder)trans-88.8131.9165-64.9-179-178.9-179.20109.1Q146K123-Q146 HydrophobicContact CG-CB 4.22Å; K123-Q146 HydrophobicContact CG-CG 3.88Å
124C96.9Very high96.8Very high18 Ų1853.6 Ų53.612%0.12230%0.298CS..EExtended strand (participates in β ladder)trans-141.8164.1175.261.40000110.5I77 V78 V145I77-C124 WeakPolarHBondContact O-CA 3.4Å; I77-C124 WeakPolarHBondContact O-CB 3.39Å; V78-C124 HydrophobicContact CG2-CB 3.87Å; C124-V145 PolarHBondContact N-O 3.28Å; C124-V145 PolarHBondContact O-N 3.14Å; C124-V145 VanDerWaalsContact O-O 3.09Å; C124-V145 WeakPolarHBondContact SG-CG2 3.38Å
125V98.1Very high96.9Very high52 Ų5256.5 Ų56.532%0.31531%0.31SS..EExtended strand (participates in β ladder)trans-104.2128.3169176.70000107.3I77 K142I77-V125 HydrophobicContact CB-CB 4.2Å; I77-V125 HydrophobicContact CD1-CB 4.39Å; I77-V125 HydrophobicContact CD1-CG1 4.25Å; I77-V125 PolarHBondContact N-O 3.02Å; I77-V125 PolarHBondContact O-N 2.87Å; I77-V125 VanDerWaalsContact O-N 3.08Å; V125-K142 HydrophobicContact CG1-CB 3.96Å; V125-K142 HydrophobicContact CG1-CG 4.33Å
126V98Very high97Very high20 Ų2061.8 Ų61.812%0.12133%0.332CS..EExtended strand (participates in β ladder)trans-87.6130171.21800000107.6V74 W128 K142 F143 V145V74-V126 HydrophobicContact CG1-CG1 4.03Å; V126-W128 HydrophobicContact CG1-CE3 4.07Å; V126-K142 VanDerWaalsContact O-CA 3.22Å; V126-K142 WeakPolarHBondContact O-CA 2.95Å; V126-F143 HydrophobicContact CB-CD2 4.2Å; V126-F143 HydrophobicContact CB-CE1 4.18Å; V126-F143 HydrophobicContact CB-CE2 3.69Å; V126-F143 HydrophobicContact CB-CZ 3.7Å; V126-F143 HydrophobicContact CG1-CE1 4.09Å; V126-F143 HydrophobicContact CG1-CE2 4.15Å; V126-F143 HydrophobicContact CG1-CZ 3.66Å; V126-F143 HydrophobicContact CG2-CE2 3.93Å; V126-F143 HydrophobicContact CG2-CZ 4.29Å; V126-F143 PolarHBondContact N-O 2.74Å; V126-F143 PolarHBondContact O-N 3.49Å; V126-V145 HydrophobicContact CG2-CG1 4.16Å; V126-V145 HydrophobicContact CG2-CG2 3.79Å
127E98.6Very high97.2Very high29 Ų2958.4 Ų58.414%0.13632%0.319CS..EExtended strand (participates in β ladder)trans-107.4122.6166.9173163.9-152.500107.6V74 H75 I77 I141 K142V74-E127 WeakPolarHBondContact CA-O 3.46Å; H75-E127 HydrophobicContact CB-CB 4.25Å; H75-E127 PolarHBondContact N-O 2.99Å; H75-E127 PolarHBondContact O-N 2.81Å; I77-E127 HydrophobicContact CD1-CB 4.18Å; E127-I141 WeakPolarHBondContact CA-O 3.5Å; E127-K142 HydrophobicContact CB-CG 4.02Å; E127-K142 HydrophobicContact CG-CG 4.27Å; E127-K142 WeakPolarHBondContact OE1-CE 3.33Å; E127-K142 IonicContact OE1-NZ 2.85Å; E127-K142 PolarHBondContact OE1-NZ 3Å; E127-K142 WeakPolarHBondContact OE2-CE 3.49Å; E127-K142 IonicContact OE2-NZ 2.89Å; E127-K142 PolarHBondContact OE2-NZ 3.32Å
128W98.6Very high97.3Very high4 Ų453.4 Ų53.42%0.01529%0.288CS..EExtended strand (participates in β ladder)trans-128.5120.3-176.1-157.9-51.3000109.8V57 V74 Y109 A111 L113 V126 F139 C140 I141 F143V57-W128 HydrophobicContact CB-CH2 4.23Å; V57-W128 HydrophobicContact CB-CZ3 4.08Å; V57-W128 HydrophobicContact CG1-CE3 4.39Å; V57-W128 HydrophobicContact CG1-CZ3 4.34Å; V57-W128 HydrophobicContact CG2-CE3 4.4Å; V57-W128 HydrophobicContact CG2-CH2 4.18Å; V57-W128 HydrophobicContact CG2-CZ3 3.71Å; V74-W128 HydrophobicContact CG1-CD2 4.45Å; V74-W128 HydrophobicContact CG1-CE3 4.12Å; V74-W128 HydrophobicContact CG1-CZ3 4.47Å; V74-W128 HydrophobicContact CG2-CD2 3.55Å; V74-W128 HydrophobicContact CG2-CE3 3.92Å; V74-W128 HydrophobicContact CG2-CG 3.95Å; V74-W128 HydrophobicContact CG2-CH2 4.22Å; V74-W128 HydrophobicContact CG2-CZ2 3.84Å; V74-W128 HydrophobicContact CG2-CZ3 4.24Å; Y109-W128 AromaticContact CE1-CE2 3.61Å; Y109-W128 AromaticContact CE1-CZ2 3.58Å; Y109-W128 HydrophobicContact CE1-CZ2 3.58Å; Y109-W128 AromaticContact CE1-NE1 3.37Å; Y109-W128 AromaticContact CZ-CZ2 3.89Å; Y109-W128 AromaticContact CZ-NE1 3.63Å; Y109-W128 VanDerWaalsContact OH-CZ2 3.3Å; Y109-W128 WeakPolarHBondContact OH-CZ2 3.45Å; Y109-W128 PolarHBondContact OH-NE1 2.86Å; A111-W128 HydrophobicContact CB-CH2 3.7Å; A111-W128 HydrophobicContact CB-CZ2 3.55Å; L113-W128 HydrophobicContact CD1-CH2 3.48Å; L113-W128 VanDerWaalsContact CD1-CH2 3.48Å; L113-W128 HydrophobicContact CD1-CZ3 3.81Å; L113-W128 HydrophobicContact CG-CH2 4.29Å; V126-W128 HydrophobicContact CG1-CE3 4.07Å; W128-F139 AromaticContact CD1-CE2 3.7Å; W128-F139 HydrophobicContact CG-CE2 4.39Å; W128-C140 WeakPolarHBondContact O-CA 3.35Å; W128-I141 HydrophobicContact CB-CD1 4.38Å; W128-I141 HydrophobicContact CB-CG1 3.87Å; W128-I141 PolarHBondContact N-O 2.8Å; W128-I141 PolarHBondContact O-N 3.24Å; W128-F143 HydrophobicContact CE3-CZ 4.4Å
129E98.7Very high97.5Very high38 Ų3847.2 Ų47.218%0.17826%0.259CS..EExtended strand (participates in β ladder)trans-116.6146.3-177.8-65.3161.3102.300109.3A72 V73 H75 F139 C140A72-E129 CarbonylContact C-O 3.52Å; A72-E129 VanDerWaalsContact CA-O 3.25Å; A72-E129 WeakPolarHBondContact CA-O 3.33Å; V73-E129 HydrophobicContact CB-CB 4.31Å; V73-E129 PolarHBondContact N-O 3.04Å; V73-E129 PolarHBondContact O-N 2.86Å; H75-E129 IonicContact CE1-OE2 3.76Å; H75-E129 IonicContact ND1-OE2 3.51Å; E129-F139 WeakPolarHBondContact CA-O 3.48Å; E129-C140 HydrophobicContact CG-CB 4.25Å
130L98.8Very high97.7Very high0 Ų044.8 Ų44.80%025%0.25CC..EExtended strand (participates in β ladder)trans-129.9114.8165.4-175.678.6000108.3F61 T71 A72 I97 Y109 D137 L138 F139F61-L130 HydrophobicContact CE1-CD2 3.93Å; F61-L130 HydrophobicContact CZ-CD2 3.75Å; T71-L130 WeakPolarHBondContact O-CA 3.47Å; A72-L130 HydrophobicContact CB-CD1 3.95Å; I97-L130 HydrophobicContact CD1-CD2 3.44Å; I97-L130 VanDerWaalsContact CD1-CD2 3.44Å; Y109-L130 HydrophobicContact CD2-CD1 4.19Å; Y109-L130 HydrophobicContact CE2-CD1 4.16Å; L130-D137 CarbonylContact O-C 3.57Å; L130-D137 WeakPolarHBondContact O-CA 3.2Å; L130-L138 HydrophobicContact CD2-CB 4.37Å; L130-L138 HydrophobicContact CD2-CD1 3.93Å; L130-L138 HydrophobicContact CG-CD1 4.24Å; L130-L138 WeakPolarHBondContact O-CB 3.19Å; L130-L138 PolarHBondContact O-N 3.03Å; L130-F139 HydrophobicContact CB-CD1 3.66Å; L130-F139 HydrophobicContact CB-CD2 4.23Å; L130-F139 HydrophobicContact CB-CE1 3.33Å; L130-F139 HydrophobicContact CB-CE2 3.92Å; L130-F139 HydrophobicContact CB-CG 4.11Å; L130-F139 HydrophobicContact CB-CZ 3.47Å; L130-F139 VanDerWaalsContact CB-CZ 3.47Å; L130-F139 HydrophobicContact CD2-CD1 4Å; L130-F139 HydrophobicContact CD2-CE1 3.54Å; L130-F139 HydrophobicContact CD2-CZ 4.34Å; L130-F139 HydrophobicContact CG-CD1 4.47Å; L130-F139 HydrophobicContact CG-CE1 4.01Å; L130-F139 HydrophobicContact CG-CZ 4.41Å; L130-F139 PolarHBondContact N-O 2.91Å; L130-F139 PolarHBondContact O-N 3.02Å
131T98.6Very high97.9Very high15 Ų1540.6 Ų40.69%0.09222%0.223CC..EExtended strand (participates in β ladder)trans-99.2147.5-17455.20000112.2S70 T71 K136 D137S70-T131 CarbonylContact C-O 3.6Å; S70-T131 WeakPolarHBondContact CA-O 3.37Å; T71-T131 PolarHBondContact N-O 2.85Å; T71-T131 PolarHBondContact O-N 2.74Å; T71-T131 PolarHBondContact O-OG1 2.93Å; T131-K136 CarbonylContact C-O 3.5Å; T131-K136 VanDerWaalsContact CA-O 3.29Å; T131-K136 WeakPolarHBondContact CA-O 3.13Å; T131-D137 VanDerWaalsContact CG2-OD1 3.28Å; T131-D137 WeakPolarHBondContact CG2-OD1 3.37Å
132D98.2Very high98Very high11 Ų1140.3 Ų40.36%0.05921%0.214CC..  trans-85.4-170.9174.467.620.6000113.2S31 V65 G134 N135 K136 L138S31-D132 VanDerWaalsContact CB-OD2 3.24Å; S31-D132 WeakPolarHBondContact CB-OD2 3.27Å; S31-D132 PolarHBondContact OG-OD2 2.97Å; V65-D132 HydrophobicContact CG2-CB 4.33Å; D132-G134 PolarHBondContact O-N 2.91Å; D132-G134 VanDerWaalsContact OD1-CA 3.29Å; D132-G134 WeakPolarHBondContact OD1-CA 3.41Å; D132-G134 PolarHBondContact OD1-N 3.03Å; D132-N135 PolarHBondContact O-N 3.17Å; D132-N135 VanDerWaalsContact O-N 3.13Å; D132-N135 PolarHBondContact OD1-N 3.26Å; D132-K136 VanDerWaalsContact CG-O 3.26Å; D132-K136 PolarHBondContact N-O 2.8Å; D132-K136 PolarHBondContact OD1-N 2.9Å; D132-L138 HydrophobicContact CB-CD1 4.32Å; D132-L138 HydrophobicContact CB-CD2 4.09Å; D132-L138 HydrophobicContact CB-CG 3.99Å
133N95.8Very high98Very high65 Ų6537.6 Ų37.635%0.34820%0.199SC..THydrogen-bonded Turntrans-53.9-32.2175.9-83.5-7.6000114.4S67 D68 K69S67-N133 PolarHBondContact OG-N 3.01Å; S67-N133 PolarHBondContact OG-OD1 2.88Å; D68-N133 PolarHBondContact N-ND2 2.82Å; D68-N133 VanDerWaalsContact N-ND2 3.19Å; D68-N133 PolarHBondContact OD2-ND2 3.47Å; K69-N133 WeakPolarHBondContact CG-OD1 3.44Å; K69-N133 PolarHBondContact N-OD1 2.82Å; K69-N133 VanDerWaalsContact N-OD1 3.1Å
134G96.1Very high98Very high52 Ų5233.6 Ų33.654%0.53619%0.189SC..THydrogen-bonded Turntrans-95.712-177.800000114.1D132 K136D132-G134 PolarHBondContact O-N 2.91Å; D132-G134 VanDerWaalsContact OD1-CA 3.29Å; D132-G134 WeakPolarHBondContact OD1-CA 3.41Å; D132-G134 PolarHBondContact OD1-N 3.03Å; G134-K136 PolarHBondContact O-N 3.23Å
135N96.8Very high98.1Very high124 Ų12432.9 Ų32.966%0.66318%0.184SC*.SBendtrans58.132.1-174.2-53.4-45.9000113.1D132D132-N135 PolarHBondContact O-N 3.17Å; D132-N135 VanDerWaalsContact O-N 3.13Å; D132-N135 PolarHBondContact OD1-N 3.26Å
136K98.2Very high98.1Very high123 Ų12333 Ų3354%0.53518%0.181SC..  trans-104146.7171.4-65.7179.4-179.2-179.70110S31 T131 D132 G134 L138S31-K136 WeakPolarHBondContact OG-CB 3.49Å; T131-K136 CarbonylContact C-O 3.5Å; T131-K136 VanDerWaalsContact CA-O 3.29Å; T131-K136 WeakPolarHBondContact CA-O 3.13Å; D132-K136 VanDerWaalsContact CG-O 3.26Å; D132-K136 PolarHBondContact N-O 2.8Å; D132-K136 PolarHBondContact OD1-N 2.9Å; G134-K136 PolarHBondContact O-N 3.23Å; K136-L138 PolarHBondContact O-N 3.38Å
137D98.6Very high98Very high24 Ų2433 Ų3313%0.12818%0.18CC..EExtended strand (participates in β ladder)trans-75.1113.6-173.4-63.1-37.6000112.2G28 S29 T30 S31 L130 T131 C140G28-D137 WeakPolarHBondContact O-CB 3.45Å; S29-D137 CarbonylContact C-O 3.59Å; T30-D137 PolarHBondContact N-O 3.48Å; T30-D137 VanDerWaalsContact N-O 3.07Å; S31-D137 WeakPolarHBondContact CA-O 3.42Å; S31-D137 PolarHBondContact N-O 2.89Å; L130-D137 CarbonylContact O-C 3.57Å; L130-D137 WeakPolarHBondContact O-CA 3.2Å; T131-D137 VanDerWaalsContact CG2-OD1 3.28Å; T131-D137 WeakPolarHBondContact CG2-OD1 3.37Å; D137-C140 HydrophobicContact CB-CB 4.24Å
138L98.8Very high98Very high0 Ų032.8 Ų32.80%018%0.18CC..EExtended strand (participates in β ladder)trans-60.8-38.7160.4-64.9167.3000109.9G32 F61 S63 V65 I101 L130 D132 K136G32-L138 CarbonylContact C-O 3.51Å; G32-L138 WeakPolarHBondContact CA-O 3.49Å; F61-L138 HydrophobicContact CD2-CB 4.23Å; F61-L138 HydrophobicContact CE2-CB 3.81Å; F61-L138 HydrophobicContact CE2-CD1 4.32Å; F61-L138 HydrophobicContact CE2-CG 4.45Å; F61-L138 HydrophobicContact CZ-CB 4.48Å; F61-L138 HydrophobicContact CZ-CD1 4.49Å; S63-L138 WeakPolarHBondContact OG-CD2 3.22Å; V65-L138 HydrophobicContact CG2-CD2 3.81Å; I101-L138 HydrophobicContact CD1-CD1 3.59Å; L130-L138 HydrophobicContact CD2-CB 4.37Å; L130-L138 HydrophobicContact CD2-CD1 3.93Å; L130-L138 HydrophobicContact CG-CD1 4.24Å; L130-L138 WeakPolarHBondContact O-CB 3.19Å; L130-L138 PolarHBondContact O-N 3.03Å; D132-L138 HydrophobicContact CB-CD1 4.32Å; D132-L138 HydrophobicContact CB-CD2 4.09Å; D132-L138 HydrophobicContact CB-CG 3.99Å; K136-L138 PolarHBondContact O-N 3.38Å
139F98.8Very high97.8Very high0 Ų039.4 Ų39.40%022%0.216CC..EExtended strand (participates in β ladder)trans-148.2152.2162.166.4-105.1000112.2S29 V34 V59 F61 Y109 W128 E129 L130 I141S29-F139 WeakPolarHBondContact OG-CA 3.41Å; V34-F139 HydrophobicContact CG2-CB 3.58Å; V59-F139 HydrophobicContact CB-CE1 4.03Å; V59-F139 HydrophobicContact CB-CE2 4.34Å; V59-F139 HydrophobicContact CB-CZ 3.93Å; V59-F139 HydrophobicContact CG1-CD1 3.94Å; V59-F139 HydrophobicContact CG1-CD2 4.11Å; V59-F139 HydrophobicContact CG1-CE1 3.94Å; V59-F139 HydrophobicContact CG1-CE2 4.14Å; V59-F139 HydrophobicContact CG1-CG 4.03Å; V59-F139 HydrophobicContact CG1-CZ 4.05Å; V59-F139 HydrophobicContact CG2-CE2 4.11Å; V59-F139 HydrophobicContact CG2-CZ 3.99Å; F61-F139 HydrophobicContact CB-CD1 4.24Å; F61-F139 AromaticContact CD1-CD1 3.63Å; F61-F139 HydrophobicContact CD1-CD1 3.63Å; F61-F139 AromaticContact CD1-CE1 3.9Å; F61-F139 HydrophobicContact CD1-CE1 3.9Å; F61-F139 HydrophobicContact CD2-CD1 4.38Å; F61-F139 HydrophobicContact CE1-CD1 4.04Å; F61-F139 HydrophobicContact CE1-CE1 4.03Å; F61-F139 AromaticContact CG-CD1 3.82Å; F61-F139 HydrophobicContact CG-CD1 3.82Å; Y109-F139 HydrophobicContact CD1-CE1 4.45Å; Y109-F139 AromaticContact CD1-CZ 3.9Å; Y109-F139 HydrophobicContact CD1-CZ 3.9Å; Y109-F139 HydrophobicContact CE1-CZ 4.46Å; Y109-F139 HydrophobicContact CG-CE1 4.14Å; Y109-F139 HydrophobicContact CG-CZ 4Å; W128-F139 AromaticContact CD1-CE2 3.7Å; W128-F139 HydrophobicContact CG-CE2 4.39Å; E129-F139 WeakPolarHBondContact CA-O 3.48Å; L130-F139 HydrophobicContact CB-CD1 3.66Å; L130-F139 HydrophobicContact CB-CD2 4.23Å; L130-F139 HydrophobicContact CB-CE1 3.33Å; L130-F139 HydrophobicContact CB-CE2 3.92Å; L130-F139 HydrophobicContact CB-CG 4.11Å; L130-F139 HydrophobicContact CB-CZ 3.47Å; L130-F139 VanDerWaalsContact CB-CZ 3.47Å; L130-F139 HydrophobicContact CD2-CD1 4Å; L130-F139 HydrophobicContact CD2-CE1 3.54Å; L130-F139 HydrophobicContact CD2-CZ 4.34Å; L130-F139 HydrophobicContact CG-CD1 4.47Å; L130-F139 HydrophobicContact CG-CE1 4.01Å; L130-F139 HydrophobicContact CG-CZ 4.41Å; L130-F139 PolarHBondContact N-O 2.91Å; L130-F139 PolarHBondContact O-N 3.02Å; F139-I141 HydrophobicContact CD2-CG1 4.38Å; F139-I141 HydrophobicContact CE2-CG1 4.5Å
140C98.7Very high97.8Very high2 Ų239.5 Ų39.51%0.01422%0.218CC..EExtended strand (participates in β ladder)trans-135.5119.5166.8-174.60000108.2D26 C27 S29 W128 E129 D137D26-C140 WeakPolarHBondContact CA-O 3.5Å; D26-C140 VanDerWaalsContact OD1-O 3.13Å; C27-C140 HydrophobicContact CB-CB 4.18Å; C27-C140 WeakPolarHBondContact CB-SG 3.47Å; C27-C140 PolarHBondContact N-O 2.81Å; C27-C140 WeakPolarHBondContact SG-CB 3.44Å; C27-C140 PolarHBondContact SG-O 3.15Å; C27-C140 VanDerWaalsContact SG-O 3.38Å; C27-C140 CovalentContact SG-SG 2.04Å; C27-C140 PolarHBondContact SG-SG 2.85Å; S29-C140 PolarHBondContact OG-N 3.13Å; W128-C140 WeakPolarHBondContact O-CA 3.35Å; E129-C140 HydrophobicContact CG-CB 4.25Å; D137-C140 HydrophobicContact CB-CB 4.24Å
141I98.7Very high97.7Very high0 Ų041.6 Ų41.60%023%0.23CC..EExtended strand (participates in β ladder)trans-127.9144.9179.158.3173.3000112.7Y24 I25 C27 V34 V37 V59 E127 W128 F139 F143Y24-I141 HydrophobicContact CD2-CB 4.22Å; Y24-I141 HydrophobicContact CD2-CG2 3.65Å; Y24-I141 HydrophobicContact CE2-CG2 4.07Å; Y24-I141 HydrophobicContact CG-CG2 4.32Å; I25-I141 CarbonylContact O-C 3.6Å; I25-I141 WeakPolarHBondContact O-CA 3.44Å; C27-I141 PolarHBondContact SG-N 2.99Å; V34-I141 HydrophobicContact CB-CG2 4.4Å; V34-I141 HydrophobicContact CG1-CG2 3.97Å; V34-I141 HydrophobicContact CG2-CG2 3.75Å; V37-I141 HydrophobicContact CB-CD1 4.33Å; V37-I141 HydrophobicContact CG1-CD1 3.82Å; V37-I141 HydrophobicContact CG2-CD1 3.47Å; V37-I141 VanDerWaalsContact CG2-CD1 3.47Å; V37-I141 HydrophobicContact CG2-CG2 4.11Å; V59-I141 HydrophobicContact CG1-CD1 4.34Å; V59-I141 HydrophobicContact CG2-CD1 3.56Å; E127-I141 WeakPolarHBondContact CA-O 3.5Å; W128-I141 HydrophobicContact CB-CD1 4.38Å; W128-I141 HydrophobicContact CB-CG1 3.87Å; W128-I141 PolarHBondContact N-O 2.8Å; W128-I141 PolarHBondContact O-N 3.24Å; F139-I141 HydrophobicContact CD2-CG1 4.38Å; F139-I141 HydrophobicContact CE2-CG1 4.5Å; I141-F143 HydrophobicContact CD1-CD1 4.08Å; I141-F143 HydrophobicContact CD1-CE1 3.91Å; I141-F143 HydrophobicContact CG1-CD1 4.33Å; I141-F143 HydrophobicContact CG1-CE1 4.29Å
142K98.6Very high97.7Very high57 Ų5743.1 Ų43.125%0.24824%0.237CC..EExtended strand (participates in β ladder)trans-120.2128.9170.5-73.3176.8-174.9-176.50111.2Y24 I25 C27 I77 V125 V126 E127Y24-K142 CarbonylContact C-O 3.45Å; Y24-K142 VanDerWaalsContact CA-O 3.27Å; Y24-K142 WeakPolarHBondContact CA-O 3.34Å; I25-K142 HydrophobicContact CB-CB 4.35Å; I25-K142 PolarHBondContact N-O 3.03Å; I25-K142 PolarHBondContact O-N 2.93Å; C27-K142 HydrophobicContact CB-CD 3.93Å; C27-K142 HydrophobicContact CB-CG 4.12Å; I77-K142 HydrophobicContact CD1-CD 4.37Å; V125-K142 HydrophobicContact CG1-CB 3.96Å; V125-K142 HydrophobicContact CG1-CG 4.33Å; V126-K142 VanDerWaalsContact O-CA 3.22Å; V126-K142 WeakPolarHBondContact O-CA 2.95Å; E127-K142 HydrophobicContact CB-CG 4.02Å; E127-K142 HydrophobicContact CG-CG 4.27Å; E127-K142 WeakPolarHBondContact OE1-CE 3.33Å; E127-K142 IonicContact OE1-NZ 2.85Å; E127-K142 PolarHBondContact OE1-NZ 3Å; E127-K142 WeakPolarHBondContact OE2-CE 3.49Å; E127-K142 IonicContact OE2-NZ 2.89Å; E127-K142 PolarHBondContact OE2-NZ 3.32Å
143F97.9Very high97.7Very high5 Ų544.9 Ų44.92%0.02225%0.248CC..EExtended strand (participates in β ladder)trans-144.1143175.456.4-91.1000111.9V22 V37 I39 V126 W128 I141 V145V22-F143 HydrophobicContact CG1-CB 4.01Å; V22-F143 HydrophobicContact CG1-CG 4.36Å; V37-F143 HydrophobicContact CG1-CD1 4.48Å; I39-F143 HydrophobicContact CD1-CD2 3.62Å; I39-F143 HydrophobicContact CD1-CE2 3.32Å; I39-F143 HydrophobicContact CD1-CG 4.46Å; I39-F143 HydrophobicContact CD1-CZ 3.96Å; V126-F143 HydrophobicContact CB-CD2 4.2Å; V126-F143 HydrophobicContact CB-CE1 4.18Å; V126-F143 HydrophobicContact CB-CE2 3.69Å; V126-F143 HydrophobicContact CB-CZ 3.7Å; V126-F143 HydrophobicContact CG1-CE1 4.09Å; V126-F143 HydrophobicContact CG1-CE2 4.15Å; V126-F143 HydrophobicContact CG1-CZ 3.66Å; V126-F143 HydrophobicContact CG2-CE2 3.93Å; V126-F143 HydrophobicContact CG2-CZ 4.29Å; V126-F143 PolarHBondContact N-O 2.74Å; V126-F143 PolarHBondContact O-N 3.49Å; W128-F143 HydrophobicContact CE3-CZ 4.4Å; I141-F143 HydrophobicContact CD1-CD1 4.08Å; I141-F143 HydrophobicContact CD1-CE1 3.91Å; I141-F143 HydrophobicContact CG1-CD1 4.33Å; I141-F143 HydrophobicContact CG1-CE1 4.29Å; F143-V145 HydrophobicContact CD2-CG1 3.72Å; F143-V145 HydrophobicContact CE2-CG1 3.7Å
144P97.7Very high97.8Very high66 Ų6643.7 Ų43.743%0.42924%0.242SC..EExtended strand (participates in β ladder)trans-80.4139179.732.1-33.8000111.6P46P46-P144 HydrophobicContact CB-CB 4.12Å; P46-P144 HydrophobicContact CB-CG 4.15Å; P46-P144 WeakPolarHBondContact CB-O 3.48Å
145V97.5Very high97.9Very high4 Ų443.1 Ų43.12%0.02422%0.222CC..EExtended strand (participates in β ladder)trans-131.8162.8170.9-570000110.5C47 L49 C124 V126 F143C47-V145 HydrophobicContact CB-CG1 4.47Å; L49-V145 HydrophobicContact CD1-CB 3.88Å; L49-V145 HydrophobicContact CD1-CG1 4.07Å; L49-V145 HydrophobicContact CD1-CG2 3.97Å; L49-V145 HydrophobicContact CG-CB 4.17Å; C124-V145 PolarHBondContact N-O 3.28Å; C124-V145 PolarHBondContact O-N 3.14Å; C124-V145 VanDerWaalsContact O-O 3.09Å; C124-V145 WeakPolarHBondContact SG-CG2 3.38Å; V126-V145 HydrophobicContact CG2-CG1 4.16Å; V126-V145 HydrophobicContact CG2-CG2 3.79Å; F143-V145 HydrophobicContact CD2-CG1 3.72Å; F143-V145 HydrophobicContact CE2-CG1 3.7Å
146Q97.8Very high98Very high53 Ų5337.4 Ų37.425%0.24819%0.191CC..EExtended strand (participates in β ladder)trans-128.6117.9172.3-175175.7-10.600109.8C47 Q48 L49 I122 K123 V148C47-Q146 PolarHBondContact O-N 3.29Å; Q48-Q146 CarbonylContact C-O 3.48Å; Q48-Q146 WeakPolarHBondContact CA-O 3.43Å; L49-Q146 PolarHBondContact N-O 2.75Å; I122-Q146 CarbonylContact O-C 3.59Å; I122-Q146 WeakPolarHBondContact O-CA 3.47Å; K123-Q146 HydrophobicContact CG-CB 4.22Å; K123-Q146 HydrophobicContact CG-CG 3.88Å; Q146-V148 HydrophobicContact CG-CG1 3.9Å
147I97.5Very high97.9Very high22 Ų2230.8 Ų30.811%0.11316%0.164CC..EExtended strand (participates in β ladder)trans-78.1126.8171.3-57.6177000108.3L49 K51 V115 P120 S121 I122L49-I147 WeakPolarHBondContact O-CA 3.48Å; K51-I147 HydrophobicContact CG-CG2 4.1Å; V115-I147 HydrophobicContact CG1-CG2 4.02Å; P120-I147 WeakPolarHBondContact O-CB 3.3Å; P120-I147 WeakPolarHBondContact O-CG2 3.33Å; S121-I147 CarbonylContact C-O 3.46Å; S121-I147 VanDerWaalsContact CA-O 3.22Å; S121-I147 WeakPolarHBondContact CA-O 3.38Å; S121-I147 WeakPolarHBondContact CB-O 3.43Å; I122-I147 PolarHBondContact N-O 2.9Å; I122-I147 VanDerWaalsContact N-O 3.17Å; I122-I147 PolarHBondContact O-N 3.47Å
148V97.8Very high97.9Very high23 Ų2331.3 Ų31.314%0.13917%0.167CC..EExtended strand (participates in β ladder)trans-129.1167.1-179.7-62.10000109.8Q48 L49 H50 K51 Q146Q48-V148 HydrophobicContact CB-CG2 4.15Å; Q48-V148 HydrophobicContact CG-CG1 4.49Å; L49-V148 PolarHBondContact O-N 2.84Å; H50-V148 HydrophobicContact CB-CG2 4.38Å; H50-V148 WeakPolarHBondContact ND1-CG2 3.12Å; K51-V148 WeakPolarHBondContact CG-O 3.26Å; K51-V148 PolarHBondContact N-O 3.1Å; Q146-V148 HydrophobicContact CG-CG1 3.9Å
149N95.1Very high97.8Very high144 Ų14434.2 Ų34.277%0.7718%0.182SC*.  trans-70.80176.2-68.7-32.1000111.8H50 K51 S121H50-N149 PolarHBondContact ND1-O 3.4Å; K51-N149 WeakPolarHBondContact CE-OD1 3.24Å; K51-N149 PolarHBondContact NZ-OD1 2.97Å; S121-N149 PolarHBondContact OG-OD1 2.93Å

Retrieved 149 of 149 residues in 168.5 ms (Link to these results)

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