A0A087XIE3_POEFO Loading...

Protein boule-like

Probable RNA-binding protein, which may be required during spermatogenesis. May act by binding to the 3'-UTR of mRNAs and regulating their translation.

AlphaFold DB , UniProt , Accession A0A087XIE3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 313 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
1M43.5Very low36.3Very low233 Ų233147.2 Ų147.2100%1.14879%0.788SS**  087.70-62-179-153.800104.9
2E34.3Very low35.9Very low180 Ų180145.3 Ų145.384%0.84179%0.793SS**  43.9122.273.2-84.5177.511900109.3
3V43.2Very low36.4Very low117 Ų117143.7 Ų143.771%0.70979%0.794SS**  cis-166.8143.129-106.10000105.7
4E36.5Very low36Very low164 Ų164140.9 Ų140.977%0.76679%0.79SS**  46139.790.6-102.5-165.987.800114.2
5N31.2Very low35.7Very low101 Ų101137.9 Ų137.954%0.5478%0.782SS.*  cis-175.1164.84-140.7-15.6000108.5
6Q36.6Very low35.8Very low142 Ų142138.4 Ų138.466%0.66478%0.781SS**  trans64.1117.3140.8-74.9171.954.700121.4
7N31.8Very low35.7Very low146 Ų146140 Ų14078%0.78179%0.787SS**  67.9116.783.3-71.67.8000114.9
8T36Very low35.4Very low141 Ų141139.9 Ų139.987%0.86578%0.784SS**  -163.3125.7127.4-9.20000113.3
9L38.6Very low35.4Very low172 Ų172138.4 Ų138.490%0.90178%0.783SS**  trans-83.6136.7163.2-68.8158.7000108.9
10T35.3Very low35.3Very low121 Ų121136.8 Ų136.874%0.74278%0.781SS**  trans-152.198.4161.2-43.80000113.1
11S32.7Very low35.2Very low102 Ų102135.8 Ų135.871%0.71378%0.783SS**  trans41.8127.4136.961.90000123.1
12C31.3Very low34.6Very low125 Ų125130.1 Ų130.185%0.84577%0.766SS**  trans-62156.9149.5-51.40000111.8
13P42.2Very low34.7Very low124 Ų124126.6 Ų126.681%0.80576%0.761SS**  -136152.5121.534.7-21.5000114.1
14S30.9Very low34.4Very low105 Ų105126.2 Ų126.273%0.73476%0.764SS**  trans-74.7147.4175.343.10000113.7
15S31.8Very low34.4Very low96 Ų96125.7 Ų125.767%0.67177%0.767SS**  148.6122.8114.5-73.60000114.8
16L36.4Very low34.8Very low146 Ų146126.6 Ų126.676%0.76478%0.775SS**  trans60.3115.2134.7-65.2161.3000121
17N34.5Very low34.7Very low165 Ų165127.4 Ų127.488%0.88278%0.783SS**  -163.8141.7124.533.924.9000112.9
18D29.8Very low34.7Very low139 Ų139127.5 Ų127.574%0.74378%0.784SS**  trans-81.7158.8-164.4-74.9-61.1000116.1
19S35.8Very low34.4Very low110 Ų110129.9 Ų129.977%0.76979%0.785SS**  trans61142.2143.6-59.20000118.2
20S33.8Very low34Very low106 Ų106130 Ų13074%0.74178%0.781SS**  cis176.5138.56440000105.7
21S33.7Very low34.1Very low117 Ų117131.5 Ų131.582%0.81879%0.785SS**  trans15598.6152.1460000108
22S31Very low34.4Very low114 Ų114131 Ų13180%0.79778%0.779SS**  61.297.490.4-1710000112.4
23S35.2Very low34.7Very low105 Ų105131.2 Ų131.273%0.73477%0.771SS**  trans178.193.7133.3-75.10000108.5
24S36.9Very low34.5Very low109 Ų109134.2 Ų134.276%0.76277%0.774SS**  trans-97.893162.650.50000107.2V26S24-V26 VanDerWaalsContact C-N 3.29Å; S24-V26 PolarHBondContact O-N 3.38Å
25D36.8Very low34.7Very low154 Ų154134.4 Ų134.482%0.82478%0.775SS**  trans-66.988.4166.9-72.5-54.6000108.8
26V39.8Very low35.1Very low119 Ų119137.5 Ų137.572%0.72178%0.784SS**  trans-9399.5166.1-179.10000106.9S24 N28S24-V26 VanDerWaalsContact C-N 3.29Å; S24-V26 PolarHBondContact O-N 3.38Å; V26-N28 PolarHBondContact O-N 3.1Å
27L34.8Very low34.8Very low160 Ų160135.9 Ų135.984%0.83878%0.78SS**  trans-56.6103.1169.8-80.4157.6000109.6Q29L27-Q29 PolarHBondContact O-N 3.27Å
28N31.8Very low34.9Very low147 Ų147137.7 Ų137.779%0.78678%0.783SS**  trans-61.899.6157.5-98.7-17.7000107.3V26 E30V26-N28 PolarHBondContact O-N 3.1Å; N28-E30 VanDerWaalsContact C-N 3.29Å; N28-E30 WeakPolarHBondContact O-CG 3.44Å; N28-E30 PolarHBondContact O-N 3.23Å
29Q29.3Very low35.4Very low192 Ų192137.6 Ų137.690%0.89778%0.777SS**  trans-78.790.5174.4-145.2165.620.600108.6L27 N31L27-Q29 PolarHBondContact O-N 3.27Å; Q29-N31 PolarHBondContact O-N 3.46Å
30E30.6Very low35.7Very low173 Ų173137.2 Ų137.281%0.80877%0.773SS**  trans-31.4120.9162.4-36.1-172.8130.300110.4N28 P32N28-E30 VanDerWaalsContact C-N 3.29Å; N28-E30 WeakPolarHBondContact O-CG 3.44Å; N28-E30 PolarHBondContact O-N 3.23Å; E30-P32 WeakPolarHBondContact O-CD 3.05Å; E30-P32 VanDerWaalsContact O-N 3.1Å
31N38.1Very low36.2Very low154 Ų154138.3 Ų138.382%0.82478%0.777SS**  trans-65.3104.6177.4-141.6-25.8000107.6Q29 L33Q29-N31 PolarHBondContact O-N 3.46Å; N31-L33 VanDerWaalsContact C-N 3.31Å; N31-L33 PolarHBondContact O-N 3.14Å
32P38.2Very low37.2Very low92 Ų92137.5 Ų137.560%0.59776%0.763SS**  trans-87.180.1-174.228.7-17.9000106.7E30 K109E30-P32 WeakPolarHBondContact O-CD 3.05Å; E30-P32 VanDerWaalsContact O-N 3.1Å; P32-K109 WeakPolarHBondContact O-CD 3.37Å; P32-K109 PolarHBondContact O-NZ 2.93Å
33L37Very low38.3Very low128 Ų128137.3 Ų137.367%0.6776%0.758SS**  trans-122.745.6168.5-164.377.9000110.4N31 K109N31-L33 VanDerWaalsContact C-N 3.31Å; N31-L33 PolarHBondContact O-N 3.14Å; L33-K109 HydrophobicContact CD1-CD 3.89Å
34E38.3Very low40.2Very low188 Ų188133.8 Ų133.888%0.87974%0.739SS**  trans-136.3147.2155.5-72.5-158.2149.700108.6
35S34.3Very low42.6Very low108 Ų108132.3 Ų132.376%0.75573%0.725SS**SBendtrans92.4128.1-179.7-156.40000116.4
36L40.2Very low45.1Very low161 Ų161129.2 Ų129.284%0.84371%0.708SS**SBendtrans92.745.8175.4-51173.7000118
37T31.9Very low47.6Very low112 Ų112125.9 Ų125.969%0.68769%0.685SS**  -153.2114126.9-20.20000109.5H39T37-H39 WeakPolarHBondContact CG2-CD2 3.27Å; T37-H39 PolarHBondContact O-N 2.9Å
38H34.7Very low50.3Low204 Ų204120.7 Ų120.794%0.94466%0.661SS**  trans-71.162.8176.2-108.3-68.6000111.2
39H41Very low53.3Low136 Ų136116.1 Ų116.163%0.6364%0.637SS**  trans-115.5124.3168.2-65.6-51.5000108.5T37T37-H39 WeakPolarHBondContact CG2-CD2 3.27Å; T37-H39 PolarHBondContact O-N 2.9Å
40P41.2Very low56.4Low103 Ų103109.4 Ų109.467%0.66960%0.603SS**  trans-56.1144.7173.624.3-32.5000109.1I42P40-I42 PolarHBondContact O-N 3.08Å
41P45Very low59.5Low128 Ų128101.2 Ų101.283%0.83157%0.565SS**  trans-54.7112.3178.721-30.6000108.2P43P41-P43 VanDerWaalsContact O-CD 3.23Å; P41-P43 WeakPolarHBondContact O-CD 3.28Å
42I55.5Low62.3Low101 Ų10197 Ų9752%0.51854%0.539SS..  trans-70117.6-174.2-61171.4000106.3P40 G44P40-I42 PolarHBondContact O-N 3.08Å; I42-G44 PolarHBondContact O-N 2.71Å
43P54.4Low65Low109 Ų10992.6 Ų92.671%0.70851%0.511SS*.  trans-62.7111.1175.424.7-32.2000108.5P41P41-P43 VanDerWaalsContact O-CD 3.23Å; P41-P43 WeakPolarHBondContact O-CD 3.28Å
44G75.1Confident67.7Low31 Ų3186.7 Ų86.732%0.3248%0.481SS..SBendtrans-175.8163-177.600000111.7I42 K127I42-G44 PolarHBondContact O-N 2.71Å; G44-K127 CarbonylContact C-O 3.5Å; G44-K127 WeakPolarHBondContact CA-O 3.48Å
45T85.9Confident70.3Confident79 Ų7979.5 Ų79.549%0.48546%0.457SS..EExtended strand (participates in β ladder)trans-85.2125179.3-56.50000109.1I47 K127T45-I47 PolarHBondContact O-N 2.78Å; T45-K127 PolarHBondContact N-O 2.98Å; T45-K127 PolarHBondContact O-N 2.79Å
46I89.4Confident73.1Confident89 Ų8974.4 Ų74.446%0.45642%0.422SS..EExtended strand (participates in β ladder)trans-61.7133.9172.6-69.4167.2000109.2P48 Q124 V126I46-P48 WeakPolarHBondContact O-CD 3.23Å; I46-Q124 HydrophobicContact CB-CG 4.45Å; I46-Q124 HydrophobicContact CG1-CG 4.26Å; I46-Q124 VanDerWaalsContact CG2-CD 3.4Å; I46-Q124 HydrophobicContact CG2-CG 3.5Å; I46-Q124 VanDerWaalsContact CG2-CG 3.5Å; I46-V126 HydrophobicContact CG1-CG2 4.4Å
47I92.9Very high75.6Confident48 Ų4867.5 Ų67.525%0.24639%0.385CS..EExtended strand (participates in β ladder)trans-97.1110.3172.9-54.9172.1000107.3T45 N49 R50 A125 K127T45-I47 PolarHBondContact O-N 2.78Å; I47-N49 PolarHBondContact O-N 3.09Å; I47-R50 HydrophobicContact CB-CB 3.9Å; I47-R50 HydrophobicContact CG2-CB 3.49Å; I47-R50 VanDerWaalsContact CG2-CB 3.49Å; I47-R50 PolarHBondContact O-N 3.42Å; I47-A125 HydrophobicContact CB-CB 4.35Å; I47-A125 PolarHBondContact N-O 2.9Å; I47-K127 HydrophobicContact CD1-CB 3.96Å; I47-K127 HydrophobicContact CG1-CB 3.97Å
48P90.8Very high78.4Confident52 Ų5268.4 Ų68.434%0.33838%0.382SS..EExtended strand (participates in β ladder)trans-61.7-45-169.718.6-29.8000113.6I46 R50 Q99 V102I46-P48 WeakPolarHBondContact O-CD 3.23Å; P48-R50 PolarHBondContact O-N 3.37Å; P48-Q99 HydrophobicContact CB-CG 3.8Å; P48-Q99 VanDerWaalsContact CB-OE1 3.24Å; P48-V102 WeakPolarHBondContact O-CG1 3.26Å
49N94.8Very high81Confident51 Ų5166.5 Ų66.527%0.27337%0.366SS..EExtended strand (participates in β ladder)trans-90.521-174.3-53.614.4000112.1I47 T95 F96 E97 Q99I47-N49 PolarHBondContact O-N 3.09Å; N49-T95 CarbonylContact O-C 3.58Å; N49-T95 WeakPolarHBondContact O-CA 3.49Å; N49-F96 PolarHBondContact O-N 3.09Å; N49-E97 PolarHBondContact ND2-O 3.4Å; N49-E97 VanDerWaalsContact ND2-O 3.08Å; N49-Q99 VanDerWaalsContact OD1-CB 3.27Å; N49-Q99 WeakPolarHBondContact OD1-CB 3.26Å
50R95.6Very high83.4Confident51 Ų5160.3 Ų60.319%0.19234%0.338CS..EExtended strand (participates in β ladder)trans-135.8136-174.4-164.6177-166.9164.26111.6I47 P48 F93 V94 T95 A125I47-R50 HydrophobicContact CB-CB 3.9Å; I47-R50 HydrophobicContact CG2-CB 3.49Å; I47-R50 VanDerWaalsContact CG2-CB 3.49Å; I47-R50 PolarHBondContact O-N 3.42Å; P48-R50 PolarHBondContact O-N 3.37Å; R50-F93 HydrophobicContact CG-CB 4.14Å; R50-V94 CarbonylContact C-O 3.48Å; R50-V94 VanDerWaalsContact CA-O 3.32Å; R50-V94 WeakPolarHBondContact CA-O 3.32Å; R50-V94 VanDerWaalsContact CG-O 3.31Å; R50-V94 WeakPolarHBondContact CG-O 3.24Å; R50-T95 PolarHBondContact NE-OG1 3.32Å; R50-A125 HydrophobicContact CB-CB 3.76Å; R50-A125 HydrophobicContact CG-CB 3.75Å; R50-A125 WeakPolarHBondContact O-CB 3.23Å; R50-A125 PolarHBondContact O-N 2.82Å
51I95.6Very high85.9Confident0 Ų060.5 Ų60.50%033%0.334CS..EExtended strand (participates in β ladder)trans-107.4149.6173.160.7172.3000111.1V53 F69 F93 V94 F96 V102 L106 I122 G123I51-V53 HydrophobicContact CD1-CG2 3.86Å; I51-V53 HydrophobicContact CG1-CG2 4.05Å; I51-F69 HydrophobicContact CD1-CD1 3.79Å; I51-F69 HydrophobicContact CD1-CE1 3.51Å; I51-F69 HydrophobicContact CD1-CG 4.41Å; I51-F69 HydrophobicContact CD1-CZ 3.93Å; I51-F93 VanDerWaalsContact O-CA 3.24Å; I51-F93 WeakPolarHBondContact O-CA 3.39Å; I51-V94 HydrophobicContact CD1-CB 4.05Å; I51-V94 HydrophobicContact CG1-CB 3.72Å; I51-V94 HydrophobicContact CG1-CG2 4.48Å; I51-V94 PolarHBondContact N-O 2.89Å; I51-V94 PolarHBondContact O-N 2.78Å; I51-V94 VanDerWaalsContact O-N 3.11Å; I51-F96 HydrophobicContact CD1-CE2 3.73Å; I51-F96 HydrophobicContact CD1-CZ 4.23Å; I51-F96 HydrophobicContact CG1-CE2 3.89Å; I51-F96 HydrophobicContact CG2-CE2 4.37Å; I51-V102 HydrophobicContact CG2-CB 4.24Å; I51-V102 HydrophobicContact CG2-CG1 3.57Å; I51-V102 HydrophobicContact CG2-CG2 4.06Å; I51-L106 HydrophobicContact CG2-CD2 4.46Å; I51-L106 HydrophobicContact CG2-CG 4.47Å; I51-I122 HydrophobicContact CB-CG2 4.21Å; I51-I122 HydrophobicContact CD1-CG2 4.04Å; I51-I122 HydrophobicContact CG2-CG2 4.43Å; I51-G123 WeakPolarHBondContact CA-O 3.12Å
52F95.4Very high88.4Confident65 Ų6558.7 Ų58.729%0.28531%0.314SS..EExtended strand (participates in β ladder)trans-86.4135.7162.8168.6-95.2000108.9Y91 F93 I122 G123F52-Y91 HydrophobicContact CD2-CD2 4.27Å; F52-Y91 AromaticContact CE2-CD2 3.65Å; F52-Y91 HydrophobicContact CE2-CD2 3.65Å; F52-Y91 AromaticContact CE2-CG 3.79Å; F52-Y91 HydrophobicContact CE2-CG 3.79Å; F52-Y91 HydrophobicContact CZ-CG 4.37Å; F52-F93 HydrophobicContact CB-CD1 4.31Å; F52-F93 HydrophobicContact CB-CE1 4.25Å; F52-F93 HydrophobicContact CD2-CD1 4.46Å; F52-F93 AromaticContact CD2-CE1 3.95Å; F52-F93 HydrophobicContact CD2-CE1 3.95Å; F52-F93 HydrophobicContact CD2-CZ 4.34Å; F52-I122 WeakPolarHBondContact O-CA 3.17Å; F52-G123 PolarHBondContact N-O 3.26Å; F52-G123 PolarHBondContact O-N 2.8Å
53V95.3Very high90.3Very high0 Ų056.2 Ų56.20%031%0.314CS..EExtended strand (participates in β ladder)trans-126.3111.2175.2-1740000108.1I51 I56 L65 F69 Y91 G92 V94 L120 C121I51-V53 HydrophobicContact CD1-CG2 3.86Å; I51-V53 HydrophobicContact CG1-CG2 4.05Å; V53-I56 HydrophobicContact CB-CD1 4.27Å; V53-I56 HydrophobicContact CG1-CD1 4.06Å; V53-I56 HydrophobicContact CG1-CG1 3.99Å; V53-I56 WeakPolarHBondContact O-CD1 3.49Å; V53-L65 HydrophobicContact CG1-CD2 4.32Å; V53-F69 HydrophobicContact CG1-CE2 4.13Å; V53-F69 HydrophobicContact CG1-CZ 4.23Å; V53-F69 HydrophobicContact CG2-CE2 3.76Å; V53-F69 HydrophobicContact CG2-CZ 3.76Å; V53-Y91 CarbonylContact O-C 3.47Å; V53-Y91 WeakPolarHBondContact O-CA 3.48Å; V53-Y91 WeakPolarHBondContact O-CB 3.42Å; V53-G92 PolarHBondContact N-O 3.35Å; V53-G92 PolarHBondContact O-N 3.48Å; V53-V94 HydrophobicContact CG2-CG2 3.93Å; V53-L120 HydrophobicContact CG1-CB 4.14Å; V53-L120 HydrophobicContact CG1-CD1 4.08Å; V53-L120 HydrophobicContact CG1-CD2 4.38Å; V53-L120 HydrophobicContact CG1-CG 4.44Å; V53-C121 CarbonylContact C-O 3.56Å; V53-C121 WeakPolarHBondContact CA-O 3.37Å
54G94.2Very high92.2Very high5 Ų552.9 Ų52.95%0.05229%0.29CS..EExtended strand (participates in β ladder)trans-107.6169.717700000112.5I56 L120 C121G54-I56 VanDerWaalsContact C-N 3.29Å; G54-I56 PolarHBondContact O-N 3.34Å; G54-L120 WeakPolarHBondContact O-CA 3.45Å; G54-C121 PolarHBondContact N-O 2.77Å; G54-C121 PolarHBondContact O-N 2.84Å
55G92.4Very high93.2Very high36 Ų3651.4 Ų51.437%0.37127%0.274SS..SBendtrans76.217.317800000114.1R90G55-R90 PolarHBondContact N-O 3.21Å; G55-R90 VanDerWaalsContact N-O 3.1Å
56I94Very high93.7Very high1 Ų151.4 Ų51.41%0.00527%0.269CS..  trans-69.5132.5-176.8-57.1172000109.7V53 G54 V60 L65 R90 L120V53-I56 HydrophobicContact CB-CD1 4.27Å; V53-I56 HydrophobicContact CG1-CD1 4.06Å; V53-I56 HydrophobicContact CG1-CG1 3.99Å; V53-I56 WeakPolarHBondContact O-CD1 3.49Å; G54-I56 VanDerWaalsContact C-N 3.29Å; G54-I56 PolarHBondContact O-N 3.34Å; I56-V60 HydrophobicContact CG2-CB 3.5Å; I56-V60 HydrophobicContact CG2-CG1 3.76Å; I56-V60 HydrophobicContact CG2-CG2 4.05Å; I56-L65 HydrophobicContact CD1-CD1 3.83Å; I56-L65 HydrophobicContact CD1-CD2 4.5Å; I56-R90 PolarHBondContact N-O 3.36Å; I56-R90 VanDerWaalsContact O-CB 3.28Å; I56-R90 WeakPolarHBondContact O-CB 3.21Å; I56-L120 HydrophobicContact CG1-CD2 4.13Å
57D92.9Very high93.9Very high16 Ų1654.2 Ų54.29%0.08628%0.28CS..  trans-71.8153174.1-153.6-1.1000111.9R59 V60 K118D57-R59 PolarHBondContact O-N 3.18Å; D57-R59 VanDerWaalsContact O-N 3.09Å; D57-V60 HydrophobicContact CB-CG2 3.83Å; D57-V60 WeakPolarHBondContact O-CB 3.41Å; D57-V60 PolarHBondContact O-N 3.25Å; D57-K118 HydrophobicContact CB-CD 3.92Å; D57-K118 IonicContact OD1-NZ 2.65Å; D57-K118 PolarHBondContact OD1-NZ 2.93Å; D57-K118 IonicContact OD2-NZ 2.77Å; D57-K118 PolarHBondContact OD2-NZ 3.19Å
58H89.9Confident94Very high131 Ų13153 Ų5361%0.60627%0.274SS*.THydrogen-bonded Turntrans-60.9-20.3176.772.1-73.4000113.8
59R90.1Very high94.1Very high164 Ų16450.5 Ų50.562%0.61926%0.258SS*.THydrogen-bonded Turntrans-87.7-5178.2-54.8176.567.3-168.11.8112.9D57 K116D57-R59 PolarHBondContact O-N 3.18Å; D57-R59 VanDerWaalsContact O-N 3.09Å; R59-K116 HydrophobicContact CB-CD 4.34Å; R59-K116 PolarHBondContact O-NZ 3.3Å
60V91.4Very high94.1Very high7 Ų750.5 Ų50.54%0.04226%0.262CS..  trans-90.3128.2-177.9-177.90000108.7I56 D57 D64 L65 I80 F115 K116I56-V60 HydrophobicContact CG2-CB 3.5Å; I56-V60 HydrophobicContact CG2-CG1 3.76Å; I56-V60 HydrophobicContact CG2-CG2 4.05Å; D57-V60 HydrophobicContact CB-CG2 3.83Å; D57-V60 WeakPolarHBondContact O-CB 3.41Å; D57-V60 PolarHBondContact O-N 3.25Å; V60-D64 WeakPolarHBondContact CA-OD2 3.34Å; V60-D64 HydrophobicContact CG1-CB 3.84Å; V60-L65 HydrophobicContact CG1-CD2 3.94Å; V60-L65 HydrophobicContact CG1-CG 3.93Å; V60-I80 WeakPolarHBondContact O-CD1 3.44Å; V60-F115 HydrophobicContact CB-CD1 4.43Å; V60-F115 HydrophobicContact CB-CE1 4.35Å; V60-F115 HydrophobicContact CG1-CD1 4.03Å; V60-F115 HydrophobicContact CG1-CE1 3.96Å; V60-F115 HydrophobicContact CG2-CD1 3.56Å; V60-F115 HydrophobicContact CG2-CE1 3.76Å; V60-K116 HydrophobicContact CG2-CD 4.06Å
61N94.2Very high94Very high107 Ų10754.6 Ų54.657%0.57228%0.283SS*.  trans-103.5169.7177.1-66.1-18.9000111.1G63 D64 L65N61-G63 PolarHBondContact O-N 3.2Å; N61-D64 PolarHBondContact N-OD2 3.31Å; N61-D64 WeakPolarHBondContact O-CB 3.38Å; N61-D64 PolarHBondContact O-N 3.37Å; N61-D64 VanDerWaalsContact O-N 3.13Å; N61-L65 PolarHBondContact O-N 2.62Å
62E95.5Very high93.8Very high89 Ų8957.6 Ų57.642%0.41630%0.295SS..Hα-helixtrans-60.3-35.1177.3-68.2166.7160.100111.9D64 L65 H66 V78 K79 I80E62-D64 PolarHBondContact O-N 2.83Å; E62-L65 PolarHBondContact O-N 3.2Å; E62-H66 WeakPolarHBondContact O-CB 3.26Å; E62-H66 PolarHBondContact O-N 3.42Å; E62-V78 HydrophobicContact CB-CB 4.28Å; E62-V78 HydrophobicContact CB-CG1 3.93Å; E62-V78 HydrophobicContact CG-CG1 4.16Å; E62-K79 WeakPolarHBondContact OE1-CA 3.13Å; E62-I80 HydrophobicContact CG-CB 4.11Å; E62-I80 HydrophobicContact CG-CD1 3.89Å; E62-I80 HydrophobicContact CG-CG1 3.73Å; E62-I80 PolarHBondContact OE1-N 3.4Å
63G96Very high93.7Very high50 Ų5055.1 Ų55.152%0.51529%0.288SS..Hα-helixtrans-63.9-37.2174.600000113.8N61 H66 Q67N61-G63 PolarHBondContact O-N 3.2Å; G63-H66 WeakPolarHBondContact O-CB 3.31Å; G63-H66 PolarHBondContact O-N 2.77Å; G63-Q67 PolarHBondContact O-N 2.65Å
64D94.8Very high93.7Very high38 Ų3857.2 Ų57.220%0.20331%0.305CS..Hα-helixtrans-63.6-47.7176.1-67.2-21.3000110.1V60 N61 E62 H66 Q67 I68 F115 K116V60-D64 WeakPolarHBondContact CA-OD2 3.34Å; V60-D64 HydrophobicContact CG1-CB 3.84Å; N61-D64 PolarHBondContact N-OD2 3.31Å; N61-D64 WeakPolarHBondContact O-CB 3.38Å; N61-D64 PolarHBondContact O-N 3.37Å; N61-D64 VanDerWaalsContact O-N 3.13Å; E62-D64 PolarHBondContact O-N 2.83Å; D64-H66 VanDerWaalsContact C-N 3.32Å; D64-H66 PolarHBondContact O-N 3.02Å; D64-Q67 PolarHBondContact O-N 3.25Å; D64-I68 VanDerWaalsContact O-CD1 3.32Å; D64-I68 WeakPolarHBondContact O-CD1 3.31Å; D64-I68 WeakPolarHBondContact O-CG1 3.39Å; D64-I68 PolarHBondContact O-N 3.47Å; D64-F115 HydrophobicContact CB-CE1 3.63Å; D64-F115 HydrophobicContact CB-CZ 3.68Å; D64-F115 WeakPolarHBondContact OD2-CE1 3.06Å; D64-K116 IonicContact OD2-NZ 3.87Å; D64-K116 PolarHBondContact OD2-NZ 3.13Å
65L95.3Very high93.9Very high0 Ų057.8 Ų57.80%031%0.308CS..Hα-helixtrans-62.5-41.8177-64.9176.1000111.1V53 I56 V60 N61 E62 Q67 I68 F69 V78 I80 L120V53-L65 HydrophobicContact CG1-CD2 4.32Å; I56-L65 HydrophobicContact CD1-CD1 3.83Å; I56-L65 HydrophobicContact CD1-CD2 4.5Å; V60-L65 HydrophobicContact CG1-CD2 3.94Å; V60-L65 HydrophobicContact CG1-CG 3.93Å; N61-L65 PolarHBondContact O-N 2.62Å; E62-L65 PolarHBondContact O-N 3.2Å; L65-Q67 VanDerWaalsContact C-N 3.32Å; L65-Q67 PolarHBondContact O-N 3.42Å; L65-I68 PolarHBondContact O-N 3.26Å; L65-F69 HydrophobicContact CB-CD2 4.39Å; L65-F69 HydrophobicContact CD2-CE2 4.23Å; L65-F69 WeakPolarHBondContact O-CB 3.49Å; L65-F69 WeakPolarHBondContact O-CD2 3.44Å; L65-F69 PolarHBondContact O-N 2.85Å; L65-V78 HydrophobicContact CB-CG1 3.83Å; L65-V78 HydrophobicContact CD1-CG1 3.98Å; L65-I80 HydrophobicContact CD1-CD1 3.91Å; L65-I80 HydrophobicContact CD1-CG1 3.8Å; L65-L120 HydrophobicContact CD2-CD1 4.16Å
66H96.6Very high94.1Very high80 Ų8063.4 Ų63.437%0.3732%0.322SS..Hα-helixtrans-56.1-49.7175.6-174.3-74.8000110.7E62 G63 D64 I68 F69 S70 V75 V78E62-H66 WeakPolarHBondContact O-CB 3.26Å; E62-H66 PolarHBondContact O-N 3.42Å; G63-H66 WeakPolarHBondContact O-CB 3.31Å; G63-H66 PolarHBondContact O-N 2.77Å; D64-H66 VanDerWaalsContact C-N 3.32Å; D64-H66 PolarHBondContact O-N 3.02Å; H66-I68 PolarHBondContact O-N 3.28Å; H66-F69 PolarHBondContact O-N 2.76Å; H66-S70 PolarHBondContact CE1-OG 2.98Å; H66-S70 VanDerWaalsContact CE1-OG 3.3Å; H66-S70 PolarHBondContact ND1-OG 3.37Å; H66-S70 VanDerWaalsContact O-CB 3.3Å; H66-S70 WeakPolarHBondContact O-CB 3.31Å; H66-S70 PolarHBondContact O-N 2.81Å; H66-S70 PolarHBondContact O-OG 3.39Å; H66-V75 VanDerWaalsContact CD2-CG1 3.49Å; H66-V75 WeakPolarHBondContact CD2-CG1 3.29Å; H66-V78 HydrophobicContact CB-CG2 3.95Å
67Q95.2Very high94.3Very high148 Ų14867.2 Ų67.269%0.69234%0.342SS*.Hα-helixtrans-61.6-45.3-179.8-175175.6-2.800112.3G63 D64 L65 F69 S70G63-Q67 PolarHBondContact O-N 2.65Å; D64-Q67 PolarHBondContact O-N 3.25Å; L65-Q67 VanDerWaalsContact C-N 3.32Å; L65-Q67 PolarHBondContact O-N 3.42Å; Q67-F69 PolarHBondContact O-N 3.07Å; Q67-S70 PolarHBondContact O-N 2.85Å
68I93Very high94.5Very high21 Ų2167.1 Ų67.111%0.10834%0.342CS..Hα-helixtrans-62.4-44.8178.9-63.7157.8000110.7D64 L65 H66 Q71 I113 F115D64-I68 VanDerWaalsContact O-CD1 3.32Å; D64-I68 WeakPolarHBondContact O-CD1 3.31Å; D64-I68 WeakPolarHBondContact O-CG1 3.39Å; D64-I68 PolarHBondContact O-N 3.47Å; L65-I68 PolarHBondContact O-N 3.26Å; H66-I68 PolarHBondContact O-N 3.28Å; I68-Q71 WeakPolarHBondContact O-CG 3.39Å; I68-I113 HydrophobicContact CG2-CG2 3.52Å; I68-F115 HydrophobicContact CD1-CB 3.81Å; I68-F115 HydrophobicContact CD1-CD1 3.91Å; I68-F115 HydrophobicContact CD1-CD2 3.4Å; I68-F115 VanDerWaalsContact CD1-CD2 3.4Å; I68-F115 HydrophobicContact CD1-CE1 4.29Å; I68-F115 HydrophobicContact CD1-CE2 3.85Å; I68-F115 HydrophobicContact CD1-CG 3.43Å; I68-F115 VanDerWaalsContact CD1-CG 3.43Å; I68-F115 HydrophobicContact CD1-CZ 4.27Å; I68-F115 HydrophobicContact CG1-CD2 4.03Å; I68-F115 HydrophobicContact CG1-CE2 4.3Å
69F94.4Very high94.8Very high0 Ų066.1 Ų66.10%034%0.336CS..Hα-helixtrans-82.1-18.2-174.9-75.2-70.8000113.6I51 V53 L65 H66 Q67 Q71 Y72 G73 V75 V94 F96 I105 I113 L120 I122I51-F69 HydrophobicContact CD1-CD1 3.79Å; I51-F69 HydrophobicContact CD1-CE1 3.51Å; I51-F69 HydrophobicContact CD1-CG 4.41Å; I51-F69 HydrophobicContact CD1-CZ 3.93Å; V53-F69 HydrophobicContact CG1-CE2 4.13Å; V53-F69 HydrophobicContact CG1-CZ 4.23Å; V53-F69 HydrophobicContact CG2-CE2 3.76Å; V53-F69 HydrophobicContact CG2-CZ 3.76Å; L65-F69 HydrophobicContact CB-CD2 4.39Å; L65-F69 HydrophobicContact CD2-CE2 4.23Å; L65-F69 WeakPolarHBondContact O-CB 3.49Å; L65-F69 WeakPolarHBondContact O-CD2 3.44Å; L65-F69 PolarHBondContact O-N 2.85Å; H66-F69 PolarHBondContact O-N 2.76Å; Q67-F69 PolarHBondContact O-N 3.07Å; F69-Q71 PolarHBondContact O-N 3.25Å; F69-Y72 HydrophobicContact CD1-CD2 4.18Å; F69-Y72 PolarHBondContact O-N 3.03Å; F69-G73 PolarHBondContact O-N 2.71Å; F69-V75 HydrophobicContact CB-CG2 3.94Å; F69-V94 HydrophobicContact CB-CG1 4.08Å; F69-V94 HydrophobicContact CD2-CG2 3.77Å; F69-V94 HydrophobicContact CE2-CG2 4.15Å; F69-V94 HydrophobicContact CG-CG1 4.34Å; F69-V94 HydrophobicContact CG-CG2 4.35Å; F69-F96 HydrophobicContact CB-CE1 4.29Å; F69-F96 HydrophobicContact CB-CZ 3.91Å; F69-F96 HydrophobicContact CD1-CZ 4.1Å; F69-F96 HydrophobicContact CG-CZ 4.31Å; F69-I105 HydrophobicContact CD1-CD1 4.5Å; F69-I113 HydrophobicContact CD1-CD1 4.35Å; F69-I113 HydrophobicContact CE1-CD1 3.64Å; F69-I113 HydrophobicContact CZ-CD1 4.18Å; F69-L120 HydrophobicContact CE2-CD1 4.45Å; F69-I122 HydrophobicContact CE1-CD1 4.02Å; F69-I122 HydrophobicContact CZ-CD1 4.18Å; F69-I122 HydrophobicContact CZ-CG1 4.37Å
70S94.9Very high95.1Very high52 Ų5259.1 Ų59.136%0.36431%0.311SS..Hα-helixtrans-61.6-23.9174.8-66.60000113.2H66 Q67 Y72 G73H66-S70 PolarHBondContact CE1-OG 2.98Å; H66-S70 VanDerWaalsContact CE1-OG 3.3Å; H66-S70 PolarHBondContact ND1-OG 3.37Å; H66-S70 VanDerWaalsContact O-CB 3.3Å; H66-S70 WeakPolarHBondContact O-CB 3.31Å; H66-S70 PolarHBondContact O-N 2.81Å; H66-S70 PolarHBondContact O-OG 3.39Å; Q67-S70 PolarHBondContact O-N 2.85Å; S70-Y72 PolarHBondContact O-N 3.14Å; S70-G73 WeakPolarHBondContact CA-O 3.32Å
71Q92.5Very high95.2Very high136 Ų13660.5 Ų60.564%0.63632%0.318SS*.THydrogen-bonded Turntrans-72.9-17.1176.580.1-164.716.800113.2I68 F69I68-Q71 WeakPolarHBondContact O-CG 3.39Å; F69-Q71 PolarHBondContact O-N 3.25Å
72Y91.1Very high95.2Very high63 Ų6360.1 Ų60.125%0.24732%0.315CS..THydrogen-bonded Turntrans-100.3-20.7-179.4-59.6-83000113F69 S70 R104 I105 T111 I113F69-Y72 HydrophobicContact CD1-CD2 4.18Å; F69-Y72 PolarHBondContact O-N 3.03Å; S70-Y72 PolarHBondContact O-N 3.14Å; Y72-R104 PolarHBondContact O-NH2 3Å; Y72-I105 HydrophobicContact CD1-CG1 4.16Å; Y72-I105 HydrophobicContact CG-CD1 4.2Å; Y72-I105 HydrophobicContact CG-CG1 4.01Å; Y72-T111 HydrophobicContact CE1-CG2 3.74Å; Y72-I113 HydrophobicContact CD2-CD1 4.27Å; Y72-I113 HydrophobicContact CE1-CD1 4.43Å; Y72-I113 HydrophobicContact CE2-CD1 3.41Å; Y72-I113 VanDerWaalsContact CE2-CD1 3.41Å; Y72-I113 HydrophobicContact CE2-CG1 4.4Å; Y72-I113 VanDerWaalsContact CZ-CD1 3.49Å; Y72-I113 WeakPolarHBondContact OH-CD1 3.32Å
73G93.7Very high95Very high14 Ų1459.2 Ų59.214%0.14431%0.312CS..SBendtrans175.1173.7-177.800000112.9F69 S70 V75 D101F69-G73 PolarHBondContact O-N 2.71Å; S70-G73 WeakPolarHBondContact CA-O 3.32Å; G73-V75 PolarHBondContact O-N 3.25Å; G73-D101 WeakPolarHBondContact CA-OD2 3.49Å
74A96.4Very high95Very high43 Ų4368.8 Ų68.836%0.35533%0.333SS..  trans-73112.9177.500000110.1F96 E97A74-F96 CarbonylContact O-C 3.51Å; A74-F96 VanDerWaalsContact O-CA 3.31Å; A74-F96 WeakPolarHBondContact O-CA 3.24Å; A74-E97 HydrophobicContact CB-CB 4.16Å; A74-E97 HydrophobicContact CB-CG 3.91Å; A74-E97 PolarHBondContact O-N 3.43Å
75V97.4Very high94.8Very high18 Ų1871.6 Ų71.611%0.10936%0.355CS..EExtended strand (participates in β ladder)trans-85.5124.5179.9179.70000109.5H66 F69 G73 V78 V94 F96H66-V75 VanDerWaalsContact CD2-CG1 3.49Å; H66-V75 WeakPolarHBondContact CD2-CG1 3.29Å; F69-V75 HydrophobicContact CB-CG2 3.94Å; G73-V75 PolarHBondContact O-N 3.25Å; V75-V78 HydrophobicContact CG1-CG2 3.56Å; V75-V94 HydrophobicContact CG1-CG1 3.8Å; V75-V94 HydrophobicContact CG2-CG1 4.17Å; V75-F96 HydrophobicContact CG2-CD1 4.12Å; V75-F96 HydrophobicContact CG2-CE1 3.76Å; V75-F96 HydrophobicContact CG2-CZ 4.44Å
76K97Very high94.5Very high153 Ų15374.3 Ų74.367%0.66538%0.384SS*.EExtended strand (participates in β ladder)trans-90.7-42.2178.7-179.4174.9-178.9170.40112.8T95 E97K76-T95 PolarHBondContact N-O 2.96Å; K76-E97 HydrophobicContact CB-CG 4.2Å
77D97.1Very high94.2Very high82 Ų8276.2 Ų76.244%0.43940%0.396SS..EExtended strand (participates in β ladder)trans-155.7145.5-175.5-176.837.3000110.9T95D77-T95 PolarHBondContact N-O 3.33Å; D77-T95 PolarHBondContact O-N 3.11Å
78V97.6Very high94Very high14 Ų1470.8 Ų70.89%0.08537%0.374CS..EExtended strand (participates in β ladder)trans-132.2130.9176.5-178.90000108.5E62 L65 H66 V75 V94E62-V78 HydrophobicContact CB-CB 4.28Å; E62-V78 HydrophobicContact CB-CG1 3.93Å; E62-V78 HydrophobicContact CG-CG1 4.16Å; L65-V78 HydrophobicContact CB-CG1 3.83Å; L65-V78 HydrophobicContact CD1-CG1 3.98Å; H66-V78 HydrophobicContact CB-CG2 3.95Å; V75-V78 HydrophobicContact CG1-CG2 3.56Å; V78-V94 HydrophobicContact CG1-CG2 4.23Å; V78-V94 HydrophobicContact CG2-CG1 4.23Å; V78-V94 HydrophobicContact CG2-CG2 4.26Å
79K96.1Very high94Very high110 Ų11074.2 Ų74.248%0.47839%0.388SS..EExtended strand (participates in β ladder)trans-136.2118.5-179.8-173.2171.4-175163.90111.8E62 I81 G92 F93E62-K79 WeakPolarHBondContact OE1-CA 3.13Å; K79-I81 HydrophobicContact CD-CD1 4.26Å; K79-I81 HydrophobicContact CG-CD1 4.13Å; K79-G92 CarbonylContact O-C 3.6Å; K79-G92 WeakPolarHBondContact O-CA 3.48Å; K79-F93 PolarHBondContact N-O 2.91Å; K79-F93 PolarHBondContact O-N 3.4Å
80I95.9Very high94Very high17 Ų1781.3 Ų81.39%0.08742%0.415CS..EExtended strand (participates in β ladder)trans-89.1133.2169.8-66.8175000108.8V60 E62 L65 I82V60-I80 WeakPolarHBondContact O-CD1 3.44Å; E62-I80 HydrophobicContact CG-CB 4.11Å; E62-I80 HydrophobicContact CG-CD1 3.89Å; E62-I80 HydrophobicContact CG-CG1 3.73Å; E62-I80 PolarHBondContact OE1-N 3.4Å; L65-I80 HydrophobicContact CD1-CD1 3.91Å; L65-I80 HydrophobicContact CD1-CG1 3.8Å; I80-I82 PolarHBondContact O-N 3.34Å
81I94.8Very high94Very high36 Ų3682.2 Ų82.219%0.18541%0.411CS..EExtended strand (participates in β ladder)trans-87.1118.6-179.6-55.7-54.6000109.7K79 K89 Y91 F93K79-I81 HydrophobicContact CD-CD1 4.26Å; K79-I81 HydrophobicContact CG-CD1 4.13Å; I81-K89 HydrophobicContact CG2-CD 3.95Å; I81-K89 HydrophobicContact CG2-CG 4.34Å; I81-K89 WeakPolarHBondContact O-CB 3.3Å; I81-K89 PolarHBondContact O-N 2.87Å; I81-Y91 HydrophobicContact CB-CD2 4.2Å; I81-Y91 HydrophobicContact CB-CE2 3.7Å; I81-Y91 HydrophobicContact CG1-CD2 3.97Å; I81-Y91 HydrophobicContact CG1-CE2 3.46Å; I81-Y91 VanDerWaalsContact CG1-CE2 3.46Å; I81-Y91 HydrophobicContact CG2-CE2 4.16Å; I81-Y91 PolarHBondContact N-O 2.97Å; I81-F93 HydrophobicContact CD1-CD2 4.16Å; I81-F93 HydrophobicContact CD1-CE2 4.11Å; I81-F93 HydrophobicContact CG1-CD2 4.08Å; I81-F93 HydrophobicContact CG1-CE2 3.82Å
82I93.7Very high94.2Very high99 Ų9975.8 Ų75.851%0.50838%0.381SS..EExtended strand (participates in β ladder)trans-107.1140.9177-53.8176.6000108.4I80 G86I80-I82 PolarHBondContact O-N 3.34Å; I82-G86 VanDerWaalsContact CG2-O 3.32Å; I82-G86 WeakPolarHBondContact CG2-O 3.42Å
83D92.5Very high94.4Very high69 Ų6974.7 Ų74.737%0.36938%0.377SS..  trans-75.9168.5174.3-158.230.8000112.3S85 G86 I87 K89D83-S85 PolarHBondContact O-N 3.49Å; D83-S85 VanDerWaalsContact O-N 3.14Å; D83-G86 PolarHBondContact O-N 3.27Å; D83-I87 PolarHBondContact N-O 2.88Å; D83-K89 VanDerWaalsContact CB-CE 3.41Å; D83-K89 HydrophobicContact CB-CG 4.27Å; D83-K89 VanDerWaalsContact CG-CE 3.46Å; D83-K89 WeakPolarHBondContact OD1-CE 3.2Å; D83-K89 IonicContact OD1-NZ 3.62Å; D83-K89 PolarHBondContact OD1-NZ 3.05Å
84R94.1Very high94.6Very high251 Ų25174 Ų7495%0.94737%0.37SS*.THydrogen-bonded Turntrans-60.7-25.6179.6-63.8-177.7-178.4-173.2-1.1113.3G86R84-G86 PolarHBondContact O-N 3.48Å
85S91.7Very high94.6Very high97 Ų9773.1 Ų73.168%0.67836%0.36SS*.THydrogen-bonded Turntrans-782.6175.3-48.10000113.7D83 I87D83-S85 PolarHBondContact O-N 3.49Å; D83-S85 VanDerWaalsContact O-N 3.14Å; S85-I87 VanDerWaalsContact C-N 3.3Å; S85-I87 PolarHBondContact O-N 3.42Å
86G89.6Confident94.6Very high58 Ų5872.3 Ų72.360%0.59836%0.355SS*.SBendtrans81.53.3-177.900000114.8I82 D83 R84I82-G86 VanDerWaalsContact CG2-O 3.32Å; I82-G86 WeakPolarHBondContact CG2-O 3.42Å; D83-G86 PolarHBondContact O-N 3.27Å; R84-G86 PolarHBondContact O-N 3.48Å
87I89Confident94.6Very high120 Ų12070.6 Ų70.662%0.61535%0.35SS*.  trans-91.3129.2-178.8-58.1173.5000110D83 S85 K89D83-I87 PolarHBondContact N-O 2.88Å; S85-I87 VanDerWaalsContact C-N 3.3Å; S85-I87 PolarHBondContact O-N 3.42Å; I87-K89 PolarHBondContact O-N 3.43Å
88S91.7Very high94.4Very high34 Ų3470.7 Ų70.724%0.23835%0.351CS..EExtended strand (participates in β ladder)trans-60.7134.2174.9175.70000111.3R90S88-R90 PolarHBondContact O-N 3.46Å; S88-R90 PolarHBondContact OG-N 3.37Å; S88-R90 VanDerWaalsContact OG-N 3.12Å
89K92.8Very high94.2Very high93 Ų9374 Ų7440%0.40437%0.365SS..EExtended strand (participates in β ladder)trans-77.85174.1-59.6-165.1177.7-175.40113I81 D83 I87 Y91I81-K89 HydrophobicContact CG2-CD 3.95Å; I81-K89 HydrophobicContact CG2-CG 4.34Å; I81-K89 WeakPolarHBondContact O-CB 3.3Å; I81-K89 PolarHBondContact O-N 2.87Å; D83-K89 VanDerWaalsContact CB-CE 3.41Å; D83-K89 HydrophobicContact CB-CG 4.27Å; D83-K89 VanDerWaalsContact CG-CE 3.46Å; D83-K89 WeakPolarHBondContact OD1-CE 3.2Å; D83-K89 IonicContact OD1-NZ 3.62Å; D83-K89 PolarHBondContact OD1-NZ 3.05Å; I87-K89 PolarHBondContact O-N 3.43Å; K89-Y91 HydrophobicContact CB-CD1 3.58Å; K89-Y91 HydrophobicContact CB-CE1 3.3Å; K89-Y91 HydrophobicContact CD-CE1 3.86Å; K89-Y91 HydrophobicContact CG-CE1 4.17Å; K89-Y91 VanDerWaalsContact O-CD1 3.32Å; K89-Y91 WeakPolarHBondContact O-CD1 3.31Å; K89-Y91 PolarHBondContact O-N 2.91Å
90R94.1Very high94.1Very high148 Ų14873.9 Ų73.956%0.55837%0.37SS*.EExtended strand (participates in β ladder)trans60.525.8178.9-56.5-176.4-178.5172.3-0.9113.5G55 I56 S88G55-R90 PolarHBondContact N-O 3.21Å; G55-R90 VanDerWaalsContact N-O 3.1Å; I56-R90 PolarHBondContact N-O 3.36Å; I56-R90 VanDerWaalsContact O-CB 3.28Å; I56-R90 WeakPolarHBondContact O-CB 3.21Å; S88-R90 PolarHBondContact O-N 3.46Å; S88-R90 PolarHBondContact OG-N 3.37Å; S88-R90 VanDerWaalsContact OG-N 3.12Å
91Y95.4Very high93.9Very high72 Ų7273.6 Ų73.628%0.28237%0.368SS..EExtended strand (participates in β ladder)trans-143.7158.9168.372.5-93.4000110.4F52 V53 I81 K89 F93F52-Y91 HydrophobicContact CD2-CD2 4.27Å; F52-Y91 AromaticContact CE2-CD2 3.65Å; F52-Y91 HydrophobicContact CE2-CD2 3.65Å; F52-Y91 AromaticContact CE2-CG 3.79Å; F52-Y91 HydrophobicContact CE2-CG 3.79Å; F52-Y91 HydrophobicContact CZ-CG 4.37Å; V53-Y91 CarbonylContact O-C 3.47Å; V53-Y91 WeakPolarHBondContact O-CA 3.48Å; V53-Y91 WeakPolarHBondContact O-CB 3.42Å; I81-Y91 HydrophobicContact CB-CD2 4.2Å; I81-Y91 HydrophobicContact CB-CE2 3.7Å; I81-Y91 HydrophobicContact CG1-CD2 3.97Å; I81-Y91 HydrophobicContact CG1-CE2 3.46Å; I81-Y91 VanDerWaalsContact CG1-CE2 3.46Å; I81-Y91 HydrophobicContact CG2-CE2 4.16Å; I81-Y91 PolarHBondContact N-O 2.97Å; K89-Y91 HydrophobicContact CB-CD1 3.58Å; K89-Y91 HydrophobicContact CB-CE1 3.3Å; K89-Y91 HydrophobicContact CD-CE1 3.86Å; K89-Y91 HydrophobicContact CG-CE1 4.17Å; K89-Y91 VanDerWaalsContact O-CD1 3.32Å; K89-Y91 WeakPolarHBondContact O-CD1 3.31Å; K89-Y91 PolarHBondContact O-N 2.91Å; Y91-F93 HydrophobicContact CD2-CE2 4.26Å; Y91-F93 HydrophobicContact CD2-CZ 4.49Å; Y91-F93 AromaticContact CE2-CE2 3.97Å; Y91-F93 HydrophobicContact CE2-CE2 3.97Å; Y91-F93 HydrophobicContact CE2-CZ 4.24Å
92G95.8Very high93.8Very high0 Ų072 Ų720%036%0.36CS..EExtended strand (participates in β ladder)trans-153.7-175.5179.900000110.6V53 K79V53-G92 PolarHBondContact N-O 3.35Å; V53-G92 PolarHBondContact O-N 3.48Å; K79-G92 CarbonylContact O-C 3.6Å; K79-G92 WeakPolarHBondContact O-CA 3.48Å
93F96.9Very high93.7Very high40 Ų4071 Ų7118%0.17536%0.356CS..EExtended strand (participates in β ladder)trans-136.4140.5176.8-56.3-90.6000110.3R50 I51 F52 K79 I81 Y91 A125R50-F93 HydrophobicContact CG-CB 4.14Å; I51-F93 VanDerWaalsContact O-CA 3.24Å; I51-F93 WeakPolarHBondContact O-CA 3.39Å; F52-F93 HydrophobicContact CB-CD1 4.31Å; F52-F93 HydrophobicContact CB-CE1 4.25Å; F52-F93 HydrophobicContact CD2-CD1 4.46Å; F52-F93 AromaticContact CD2-CE1 3.95Å; F52-F93 HydrophobicContact CD2-CE1 3.95Å; F52-F93 HydrophobicContact CD2-CZ 4.34Å; K79-F93 PolarHBondContact N-O 2.91Å; K79-F93 PolarHBondContact O-N 3.4Å; I81-F93 HydrophobicContact CD1-CD2 4.16Å; I81-F93 HydrophobicContact CD1-CE2 4.11Å; I81-F93 HydrophobicContact CG1-CD2 4.08Å; I81-F93 HydrophobicContact CG1-CE2 3.82Å; Y91-F93 HydrophobicContact CD2-CE2 4.26Å; Y91-F93 HydrophobicContact CD2-CZ 4.49Å; Y91-F93 AromaticContact CE2-CE2 3.97Å; Y91-F93 HydrophobicContact CE2-CE2 3.97Å; Y91-F93 HydrophobicContact CE2-CZ 4.24Å; F93-A125 HydrophobicContact CD1-CB 3.91Å; F93-A125 HydrophobicContact CE1-CB 4.25Å
94V97.2Very high93.6Very high0 Ų074.8 Ų74.80%036%0.364CS..EExtended strand (participates in β ladder)trans-116.1127.1176.7179.10000107.7R50 I51 V53 F69 V75 V78 F96R50-V94 CarbonylContact C-O 3.48Å; R50-V94 VanDerWaalsContact CA-O 3.32Å; R50-V94 WeakPolarHBondContact CA-O 3.32Å; R50-V94 VanDerWaalsContact CG-O 3.31Å; R50-V94 WeakPolarHBondContact CG-O 3.24Å; I51-V94 HydrophobicContact CD1-CB 4.05Å; I51-V94 HydrophobicContact CG1-CB 3.72Å; I51-V94 HydrophobicContact CG1-CG2 4.48Å; I51-V94 PolarHBondContact N-O 2.89Å; I51-V94 PolarHBondContact O-N 2.78Å; I51-V94 VanDerWaalsContact O-N 3.11Å; V53-V94 HydrophobicContact CG2-CG2 3.93Å; F69-V94 HydrophobicContact CB-CG1 4.08Å; F69-V94 HydrophobicContact CD2-CG2 3.77Å; F69-V94 HydrophobicContact CE2-CG2 4.15Å; F69-V94 HydrophobicContact CG-CG1 4.34Å; F69-V94 HydrophobicContact CG-CG2 4.35Å; V75-V94 HydrophobicContact CG1-CG1 3.8Å; V75-V94 HydrophobicContact CG2-CG1 4.17Å; V78-V94 HydrophobicContact CG1-CG2 4.23Å; V78-V94 HydrophobicContact CG2-CG1 4.23Å; V78-V94 HydrophobicContact CG2-CG2 4.26Å; V94-F96 HydrophobicContact CB-CE2 4.37Å; V94-F96 HydrophobicContact CG1-CD2 4.31Å; V94-F96 HydrophobicContact CG1-CE2 3.79Å; V94-F96 HydrophobicContact CG1-CZ 3.91Å
95T96.6Very high93.4Very high24 Ų2463.2 Ų63.215%0.14732%0.321CS..EExtended strand (participates in β ladder)trans-105.4126.6177.7-47.30000108N49 R50 K76 D77N49-T95 CarbonylContact O-C 3.58Å; N49-T95 WeakPolarHBondContact O-CA 3.49Å; R50-T95 PolarHBondContact NE-OG1 3.32Å; K76-T95 PolarHBondContact N-O 2.96Å; D77-T95 PolarHBondContact N-O 3.33Å; D77-T95 PolarHBondContact O-N 3.11Å
96F97.5Very high93.3Very high1 Ų160.7 Ų60.70%0.00430%0.3CS..EExtended strand (participates in β ladder)trans-97.3162.9175.4-67.7-90.4000110.5N49 I51 F69 A74 V75 V94 D101 V102 I105N49-F96 PolarHBondContact O-N 3.09Å; I51-F96 HydrophobicContact CD1-CE2 3.73Å; I51-F96 HydrophobicContact CD1-CZ 4.23Å; I51-F96 HydrophobicContact CG1-CE2 3.89Å; I51-F96 HydrophobicContact CG2-CE2 4.37Å; F69-F96 HydrophobicContact CB-CE1 4.29Å; F69-F96 HydrophobicContact CB-CZ 3.91Å; F69-F96 HydrophobicContact CD1-CZ 4.1Å; F69-F96 HydrophobicContact CG-CZ 4.31Å; A74-F96 CarbonylContact O-C 3.51Å; A74-F96 VanDerWaalsContact O-CA 3.31Å; A74-F96 WeakPolarHBondContact O-CA 3.24Å; V75-F96 HydrophobicContact CG2-CD1 4.12Å; V75-F96 HydrophobicContact CG2-CE1 3.76Å; V75-F96 HydrophobicContact CG2-CZ 4.44Å; V94-F96 HydrophobicContact CB-CE2 4.37Å; V94-F96 HydrophobicContact CG1-CD2 4.31Å; V94-F96 HydrophobicContact CG1-CE2 3.79Å; V94-F96 HydrophobicContact CG1-CZ 3.91Å; F96-D101 HydrophobicContact CB-CB 4.44Å; F96-D101 HydrophobicContact CD1-CB 4.14Å; F96-D101 HydrophobicContact CG-CB 4.29Å; F96-V102 HydrophobicContact CB-CG2 4.29Å; F96-V102 HydrophobicContact CD2-CG2 3.55Å; F96-V102 HydrophobicContact CE2-CG2 4.26Å; F96-V102 HydrophobicContact CG-CG2 4.23Å; F96-I105 HydrophobicContact CE1-CD1 4.09Å; F96-I105 HydrophobicContact CE2-CD1 3.79Å; F96-I105 HydrophobicContact CZ-CD1 3.4Å; F96-I105 VanDerWaalsContact CZ-CD1 3.4Å
97E96.3Very high93.2Very high118 Ų11862.3 Ų62.355%0.55130%0.302SS*.SBendtrans-68.2-45.1169.3-63.9-166.9155.900110.7N49 A74 K76N49-E97 PolarHBondContact ND2-O 3.4Å; N49-E97 VanDerWaalsContact ND2-O 3.08Å; A74-E97 HydrophobicContact CB-CB 4.16Å; A74-E97 HydrophobicContact CB-CG 3.91Å; A74-E97 PolarHBondContact O-N 3.43Å; K76-E97 HydrophobicContact CB-CG 4.2Å
98N93.9Very high92.8Very high84 Ų8460.8 Ų60.845%0.44930%0.295SS..  trans-106.6143.9-176-59.5-43.9000112.6
99Q93.4Very high91.4Very high84 Ų8465.1 Ų65.139%0.39331%0.31SS..Hα-helixtrans-70-34173.6-175.6171.2-12.800112P48 N49 D101 V102 L103P48-Q99 HydrophobicContact CB-CG 3.8Å; P48-Q99 VanDerWaalsContact CB-OE1 3.24Å; N49-Q99 VanDerWaalsContact OD1-CB 3.27Å; N49-Q99 WeakPolarHBondContact OD1-CB 3.26Å; Q99-D101 PolarHBondContact O-N 2.88Å; Q99-V102 WeakPolarHBondContact O-CA 3.44Å; Q99-V102 VanDerWaalsContact O-CB 3.31Å; Q99-V102 WeakPolarHBondContact O-CB 3.48Å; Q99-V102 PolarHBondContact O-N 3.01Å; Q99-L103 HydrophobicContact CG-CD1 4.46Å; Q99-L103 HydrophobicContact CG-CG 4.4Å; Q99-L103 PolarHBondContact O-N 3.07Å; Q99-L103 VanDerWaalsContact O-N 3.07Å
100D92.7Very high89.6Confident107 Ų10764.8 Ų64.857%0.57233%0.325SS*.Hα-helixtrans-61.6-34.5-175.8-58-66.6000111.9V102 L103 R104D100-V102 VanDerWaalsContact C-N 3.3Å; D100-V102 PolarHBondContact O-N 2.79Å; D100-L103 PolarHBondContact O-N 3.28Å; D100-R104 WeakPolarHBondContact O-CG 3.43Å; D100-R104 PolarHBondContact O-N 3.05Å
101D92.8Very high88.3Confident11 Ų1159 Ų596%0.05931%0.306CS..Hα-helixtrans-59.5-43.1174.1-61-19.4000111.1G73 F96 Q99 R104 I105G73-D101 WeakPolarHBondContact CA-OD2 3.49Å; F96-D101 HydrophobicContact CB-CB 4.44Å; F96-D101 HydrophobicContact CD1-CB 4.14Å; F96-D101 HydrophobicContact CG-CB 4.29Å; Q99-D101 PolarHBondContact O-N 2.88Å; D101-R104 PolarHBondContact O-N 3.22Å; D101-R104 IonicContact OD1-CZ 2.79Å; D101-R104 IonicContact OD1-NE 2.92Å; D101-R104 IonicContact OD1-NH2 3.48Å; D101-R104 PolarHBondContact OD1-NH2 3.25Å; D101-I105 WeakPolarHBondContact O-CD1 3.33Å; D101-I105 VanDerWaalsContact O-CG1 3.24Å; D101-I105 WeakPolarHBondContact O-CG1 3.41Å; D101-I105 PolarHBondContact O-N 2.86Å; D101-I105 VanDerWaalsContact O-N 3.09Å
102V92.5Very high87.3Confident1 Ų161.6 Ų61.61%0.00632%0.32CS..Hα-helixtrans-63.8-45.5176.7173.50000111.1P48 I51 F96 Q99 D100 R104 I105 L106P48-V102 WeakPolarHBondContact O-CG1 3.26Å; I51-V102 HydrophobicContact CG2-CB 4.24Å; I51-V102 HydrophobicContact CG2-CG1 3.57Å; I51-V102 HydrophobicContact CG2-CG2 4.06Å; F96-V102 HydrophobicContact CB-CG2 4.29Å; F96-V102 HydrophobicContact CD2-CG2 3.55Å; F96-V102 HydrophobicContact CE2-CG2 4.26Å; F96-V102 HydrophobicContact CG-CG2 4.23Å; Q99-V102 WeakPolarHBondContact O-CA 3.44Å; Q99-V102 VanDerWaalsContact O-CB 3.31Å; Q99-V102 WeakPolarHBondContact O-CB 3.48Å; Q99-V102 PolarHBondContact O-N 3.01Å; D100-V102 VanDerWaalsContact C-N 3.3Å; D100-V102 PolarHBondContact O-N 2.79Å; V102-R104 VanDerWaalsContact C-N 3.32Å; V102-R104 PolarHBondContact O-N 2.78Å; V102-I105 PolarHBondContact O-N 2.97Å; V102-L106 HydrophobicContact CG1-CD1 3.59Å; V102-L106 HydrophobicContact CG1-CG 4.17Å; V102-L106 WeakPolarHBondContact O-CB 3.1Å; V102-L106 VanDerWaalsContact O-CG 3.26Å; V102-L106 WeakPolarHBondContact O-CG 3.22Å; V102-L106 PolarHBondContact O-N 2.81Å
103L91.1Very high86.8Confident80 Ų8062 Ų6242%0.41932%0.322SS..Hα-helixtrans-60.8-42.7178.9-66.9176.8000111.3Q99 D100 L106 S107Q99-L103 HydrophobicContact CG-CD1 4.46Å; Q99-L103 HydrophobicContact CG-CG 4.4Å; Q99-L103 PolarHBondContact O-N 3.07Å; Q99-L103 VanDerWaalsContact O-N 3.07Å; D100-L103 PolarHBondContact O-N 3.28Å; L103-L106 PolarHBondContact O-N 3.16Å; L103-S107 WeakPolarHBondContact O-CB 3.16Å; L103-S107 PolarHBondContact O-N 3.35Å; L103-S107 PolarHBondContact O-OG 2.91Å
104R90.4Very high86.3Confident147 Ų14763.9 Ų63.956%0.55534%0.34SS*.Hα-helixtrans-62.1-43.3177.6-70.7-173.4-64165.42.2112.7Y72 D100 D101 V102 S107 N108Y72-R104 PolarHBondContact O-NH2 3Å; D100-R104 WeakPolarHBondContact O-CG 3.43Å; D100-R104 PolarHBondContact O-N 3.05Å; D101-R104 PolarHBondContact O-N 3.22Å; D101-R104 IonicContact OD1-CZ 2.79Å; D101-R104 IonicContact OD1-NE 2.92Å; D101-R104 IonicContact OD1-NH2 3.48Å; D101-R104 PolarHBondContact OD1-NH2 3.25Å; V102-R104 VanDerWaalsContact C-N 3.32Å; V102-R104 PolarHBondContact O-N 2.78Å; R104-S107 WeakPolarHBondContact CA-OG 3.48Å; R104-S107 PolarHBondContact O-OG 3.48Å; R104-S107 VanDerWaalsContact O-OG 3.05Å; R104-N108 WeakPolarHBondContact O-CB 3.33Å; R104-N108 PolarHBondContact O-N 2.85Å
105I90.7Very high85.7Confident8 Ų866.2 Ų66.24%0.04135%0.351CS..Hα-helixtrans-65.4-43178-64.6162.7000110.4F69 Y72 F96 D101 V102 I122F69-I105 HydrophobicContact CD1-CD1 4.5Å; Y72-I105 HydrophobicContact CD1-CG1 4.16Å; Y72-I105 HydrophobicContact CG-CD1 4.2Å; Y72-I105 HydrophobicContact CG-CG1 4.01Å; F96-I105 HydrophobicContact CE1-CD1 4.09Å; F96-I105 HydrophobicContact CE2-CD1 3.79Å; F96-I105 HydrophobicContact CZ-CD1 3.4Å; F96-I105 VanDerWaalsContact CZ-CD1 3.4Å; D101-I105 WeakPolarHBondContact O-CD1 3.33Å; D101-I105 VanDerWaalsContact O-CG1 3.24Å; D101-I105 WeakPolarHBondContact O-CG1 3.41Å; D101-I105 PolarHBondContact O-N 2.86Å; D101-I105 VanDerWaalsContact O-N 3.09Å; V102-I105 PolarHBondContact O-N 2.97Å; I105-I122 HydrophobicContact CG2-CD1 4.06Å; I105-I122 HydrophobicContact CG2-CG2 3.91Å
106L89Confident85.1Confident45 Ų4569 Ų6924%0.23636%0.361CS..Hα-helixtrans-75.7-34.5-177.7-66.7176.6000113.2I51 V102 L103 N108 I122 Q124I51-L106 HydrophobicContact CG2-CD2 4.46Å; I51-L106 HydrophobicContact CG2-CG 4.47Å; V102-L106 HydrophobicContact CG1-CD1 3.59Å; V102-L106 HydrophobicContact CG1-CG 4.17Å; V102-L106 WeakPolarHBondContact O-CB 3.1Å; V102-L106 VanDerWaalsContact O-CG 3.26Å; V102-L106 WeakPolarHBondContact O-CG 3.22Å; V102-L106 PolarHBondContact O-N 2.81Å; L103-L106 PolarHBondContact O-N 3.16Å; L106-N108 VanDerWaalsContact C-N 3.3Å; L106-I122 HydrophobicContact CD2-CG2 4.02Å; L106-Q124 HydrophobicContact CD1-CB 4.17Å; L106-Q124 HydrophobicContact CD1-CG 4.48Å
107S86.9Confident84.6Confident92 Ų9278.6 Ų78.664%0.64341%0.406SS*.Hα-helixtrans-68.5-34.2178.961.30000111.5L103 R104 K109L103-S107 WeakPolarHBondContact O-CB 3.16Å; L103-S107 PolarHBondContact O-N 3.35Å; L103-S107 PolarHBondContact O-OG 2.91Å; R104-S107 WeakPolarHBondContact CA-OG 3.48Å; R104-S107 PolarHBondContact O-OG 3.48Å; R104-S107 VanDerWaalsContact O-OG 3.05Å; S107-K109 VanDerWaalsContact C-N 3.29Å; S107-K109 PolarHBondContact O-N 2.8Å
108N81.3Confident84.1Confident87 Ų8776.8 Ų76.847%0.46540%0.396SS..  trans-82.779.9179.8-166.56.7000109.3R104 L106 A110 T111R104-N108 WeakPolarHBondContact O-CB 3.33Å; R104-N108 PolarHBondContact O-N 2.85Å; L106-N108 VanDerWaalsContact C-N 3.3Å; N108-A110 PolarHBondContact O-N 2.94Å; N108-T111 WeakPolarHBondContact CB-OG1 3.42Å; N108-T111 VanDerWaalsContact CG-OG1 3.24Å; N108-T111 PolarHBondContact ND2-OG1 3.01Å; N108-T111 WeakPolarHBondContact O-CB 3.42Å; N108-T111 PolarHBondContact O-N 3.46Å; N108-T111 PolarHBondContact O-OG1 3.48Å
109K61.3Low84Confident126 Ų12678.6 Ų78.655%0.54840%0.4SS..THydrogen-bonded Turntrans-57.6-19.7177.2-68.6-164.196.8-172.40113.3P32 L33 S107 T111P32-K109 WeakPolarHBondContact O-CD 3.37Å; P32-K109 PolarHBondContact O-NZ 2.93Å; L33-K109 HydrophobicContact CD1-CD 3.89Å; S107-K109 VanDerWaalsContact C-N 3.29Å; S107-K109 PolarHBondContact O-N 2.8Å; K109-T111 VanDerWaalsContact C-N 3.3Å
110A56.1Low84Confident86 Ų8675.2 Ų75.271%0.71138%0.384SS*.THydrogen-bonded Turntrans-83.6-0.1176.100000113.7N108 E112N108-A110 PolarHBondContact O-N 2.94Å; A110-E112 PolarHBondContact O-N 3.28Å
111T67.1Low83.9Confident27 Ų2773.9 Ų73.917%0.16638%0.382CS..  trans-73.477.3175.9-28.40000109.5Y72 N108 K109 I113Y72-T111 HydrophobicContact CE1-CG2 3.74Å; N108-T111 WeakPolarHBondContact CB-OG1 3.42Å; N108-T111 VanDerWaalsContact CG-OG1 3.24Å; N108-T111 PolarHBondContact ND2-OG1 3.01Å; N108-T111 WeakPolarHBondContact O-CB 3.42Å; N108-T111 PolarHBondContact O-N 3.46Å; N108-T111 PolarHBondContact O-OG1 3.48Å; K109-T111 VanDerWaalsContact C-N 3.3Å; T111-I113 HydrophobicContact CG2-CD1 4.13Å; T111-I113 HydrophobicContact CG2-CG1 3.79Å; T111-I113 PolarHBondContact O-N 3.29Å
112E74.9Confident83.9Confident126 Ų12675.5 Ų75.559%0.58939%0.391SS*.  trans-76.679.8173.5-171.8151-111.100108.9A110 S114 K119A110-E112 PolarHBondContact O-N 3.28Å; E112-S114 PolarHBondContact O-N 3.32Å; E112-K119 HydrophobicContact CG-CD 4.07Å; E112-K119 HydrophobicContact CG-CG 4.18Å; E112-K119 WeakPolarHBondContact OE1-CD 3.42Å; E112-K119 WeakPolarHBondContact OE1-CE 3.4Å; E112-K119 IonicContact OE1-NZ 2.65Å; E112-K119 PolarHBondContact OE1-NZ 3.48Å; E112-K119 VanDerWaalsContact OE2-CE 3.24Å; E112-K119 WeakPolarHBondContact OE2-CE 3.43Å; E112-K119 IonicContact OE2-NZ 2.76Å; E112-K119 PolarHBondContact OE2-NZ 2.92Å
113I85.3Confident83.9Confident8 Ų876.5 Ų76.54%0.04140%0.401CS..  trans-75.2108.4176.3-52.4-169.1000107.7I68 F69 Y72 T111 L120 I122I68-I113 HydrophobicContact CG2-CG2 3.52Å; F69-I113 HydrophobicContact CD1-CD1 4.35Å; F69-I113 HydrophobicContact CE1-CD1 3.64Å; F69-I113 HydrophobicContact CZ-CD1 4.18Å; Y72-I113 HydrophobicContact CD2-CD1 4.27Å; Y72-I113 HydrophobicContact CE1-CD1 4.43Å; Y72-I113 HydrophobicContact CE2-CD1 3.41Å; Y72-I113 VanDerWaalsContact CE2-CD1 3.41Å; Y72-I113 HydrophobicContact CE2-CG1 4.4Å; Y72-I113 VanDerWaalsContact CZ-CD1 3.49Å; Y72-I113 WeakPolarHBondContact OH-CD1 3.32Å; T111-I113 HydrophobicContact CG2-CD1 4.13Å; T111-I113 HydrophobicContact CG2-CG1 3.79Å; T111-I113 PolarHBondContact O-N 3.29Å; I113-L120 HydrophobicContact CG2-CD1 4.09Å; I113-L120 WeakPolarHBondContact O-CB 3.36Å; I113-L120 PolarHBondContact O-N 2.83Å; I113-I122 HydrophobicContact CB-CD1 4.18Å; I113-I122 HydrophobicContact CD1-CD1 3.41Å; I113-I122 VanDerWaalsContact CD1-CD1 3.41Å; I113-I122 HydrophobicContact CG1-CD1 3.74Å
114S85.4Confident83.9Confident79 Ų7976.5 Ų76.555%0.55240%0.399SS*.EExtended strand (participates in β ladder)trans-108.7141.6174.162.30000110.7E112 K118E112-S114 PolarHBondContact O-N 3.32Å; S114-K118 CarbonylContact C-O 3.53Å; S114-K118 VanDerWaalsContact CA-O 3.28Å; S114-K118 WeakPolarHBondContact CA-O 3.2Å
115F85.6Confident84.1Confident50 Ų5069.5 Ų69.522%0.21937%0.372CS..EExtended strand (participates in β ladder)trans-144.8132.5177.1-172.1-112.1000110.3V60 D64 I68 E117 K118 L120V60-F115 HydrophobicContact CB-CD1 4.43Å; V60-F115 HydrophobicContact CB-CE1 4.35Å; V60-F115 HydrophobicContact CG1-CD1 4.03Å; V60-F115 HydrophobicContact CG1-CE1 3.96Å; V60-F115 HydrophobicContact CG2-CD1 3.56Å; V60-F115 HydrophobicContact CG2-CE1 3.76Å; D64-F115 HydrophobicContact CB-CE1 3.63Å; D64-F115 HydrophobicContact CB-CZ 3.68Å; D64-F115 WeakPolarHBondContact OD2-CE1 3.06Å; I68-F115 HydrophobicContact CD1-CB 3.81Å; I68-F115 HydrophobicContact CD1-CD1 3.91Å; I68-F115 HydrophobicContact CD1-CD2 3.4Å; I68-F115 VanDerWaalsContact CD1-CD2 3.4Å; I68-F115 HydrophobicContact CD1-CE1 4.29Å; I68-F115 HydrophobicContact CD1-CE2 3.85Å; I68-F115 HydrophobicContact CD1-CG 3.43Å; I68-F115 VanDerWaalsContact CD1-CG 3.43Å; I68-F115 HydrophobicContact CD1-CZ 4.27Å; I68-F115 HydrophobicContact CG1-CD2 4.03Å; I68-F115 HydrophobicContact CG1-CE2 4.3Å; F115-E117 VanDerWaalsContact C-N 3.29Å; F115-E117 PolarHBondContact O-N 3.27Å; F115-K118 PolarHBondContact N-O 3.49Å; F115-K118 PolarHBondContact O-N 3Å; F115-K118 VanDerWaalsContact O-N 3.07Å; F115-L120 HydrophobicContact CB-CD1 4.44Å
116K84.1Confident84.1Confident81 Ų8171.5 Ų71.535%0.35239%0.385SS..THydrogen-bonded Turntrans49.749.3-177.2-65.7174.7177.3161.20112.1R59 V60 D64 K118R59-K116 HydrophobicContact CB-CD 4.34Å; R59-K116 PolarHBondContact O-NZ 3.3Å; V60-K116 HydrophobicContact CG2-CD 4.06Å; D64-K116 IonicContact OD2-NZ 3.87Å; D64-K116 PolarHBondContact OD2-NZ 3.13Å; K116-K118 PolarHBondContact O-N 2.98Å; K116-K118 VanDerWaalsContact O-N 3.11Å
117E84.9Confident84.1Confident203 Ų20375.7 Ų75.795%0.94940%0.401SS*.THydrogen-bonded Turntrans64.310.4179-55.8172.5175.800115.3F115F115-E117 VanDerWaalsContact C-N 3.29Å; F115-E117 PolarHBondContact O-N 3.27Å
118K87.7Confident83.9Confident80 Ų8077.7 Ų77.735%0.34840%0.398SS..EExtended strand (participates in β ladder)trans-116.9137.9174.3-68.8-172.8-176.3171.70111.4D57 S114 F115 K116D57-K118 HydrophobicContact CB-CD 3.92Å; D57-K118 IonicContact OD1-NZ 2.65Å; D57-K118 PolarHBondContact OD1-NZ 2.93Å; D57-K118 IonicContact OD2-NZ 2.77Å; D57-K118 PolarHBondContact OD2-NZ 3.19Å; S114-K118 CarbonylContact C-O 3.53Å; S114-K118 VanDerWaalsContact CA-O 3.28Å; S114-K118 WeakPolarHBondContact CA-O 3.2Å; F115-K118 PolarHBondContact N-O 3.49Å; F115-K118 PolarHBondContact O-N 3Å; F115-K118 VanDerWaalsContact O-N 3.07Å; K116-K118 PolarHBondContact O-N 2.98Å; K116-K118 VanDerWaalsContact O-N 3.11Å
119K90.8Very high83.5Confident123 Ų12377.9 Ų77.954%0.53540%0.399SS..EExtended strand (participates in β ladder)trans-80.6129.7174-66.3175.2171.2-162.60109.3E112E112-K119 HydrophobicContact CG-CD 4.07Å; E112-K119 HydrophobicContact CG-CG 4.18Å; E112-K119 WeakPolarHBondContact OE1-CD 3.42Å; E112-K119 WeakPolarHBondContact OE1-CE 3.4Å; E112-K119 IonicContact OE1-NZ 2.65Å; E112-K119 PolarHBondContact OE1-NZ 3.48Å; E112-K119 VanDerWaalsContact OE2-CE 3.24Å; E112-K119 WeakPolarHBondContact OE2-CE 3.43Å; E112-K119 IonicContact OE2-NZ 2.76Å; E112-K119 PolarHBondContact OE2-NZ 2.92Å
120L92.8Very high83.1Confident13 Ų1380.3 Ų80.37%0.06841%0.412CS..  trans-86.4134176.4-59-179.4000109.6V53 G54 I56 L65 F69 I113 F115V53-L120 HydrophobicContact CG1-CB 4.14Å; V53-L120 HydrophobicContact CG1-CD1 4.08Å; V53-L120 HydrophobicContact CG1-CD2 4.38Å; V53-L120 HydrophobicContact CG1-CG 4.44Å; G54-L120 WeakPolarHBondContact O-CA 3.45Å; I56-L120 HydrophobicContact CG1-CD2 4.13Å; L65-L120 HydrophobicContact CD2-CD1 4.16Å; F69-L120 HydrophobicContact CE2-CD1 4.45Å; I113-L120 HydrophobicContact CG2-CD1 4.09Å; I113-L120 WeakPolarHBondContact O-CB 3.36Å; I113-L120 PolarHBondContact O-N 2.83Å; F115-L120 HydrophobicContact CB-CD1 4.44Å
121C91.7Very high82.7Confident78 Ų7881.7 Ų81.753%0.52742%0.417SS..EExtended strand (participates in β ladder)trans-91.5113.5175.4-56.60000109.2V53 G54V53-C121 CarbonylContact C-O 3.56Å; V53-C121 WeakPolarHBondContact CA-O 3.37Å; G54-C121 PolarHBondContact N-O 2.77Å; G54-C121 PolarHBondContact O-N 2.84Å
122I92.9Very high81.5Confident46 Ų4686 Ų8624%0.23645%0.448CS..EExtended strand (participates in β ladder)trans-102.9134.1-177.9-50.8167.5000109.2I51 F52 F69 I105 L106 I113I51-I122 HydrophobicContact CB-CG2 4.21Å; I51-I122 HydrophobicContact CD1-CG2 4.04Å; I51-I122 HydrophobicContact CG2-CG2 4.43Å; F52-I122 WeakPolarHBondContact O-CA 3.17Å; F69-I122 HydrophobicContact CE1-CD1 4.02Å; F69-I122 HydrophobicContact CZ-CD1 4.18Å; F69-I122 HydrophobicContact CZ-CG1 4.37Å; I105-I122 HydrophobicContact CG2-CD1 4.06Å; I105-I122 HydrophobicContact CG2-CG2 3.91Å; L106-I122 HydrophobicContact CD2-CG2 4.02Å; I113-I122 HydrophobicContact CB-CD1 4.18Å; I113-I122 HydrophobicContact CD1-CD1 3.41Å; I113-I122 VanDerWaalsContact CD1-CD1 3.41Å; I113-I122 HydrophobicContact CG1-CD1 3.74Å
123G91.6Very high79.9Confident21 Ų2183 Ų8322%0.21645%0.451CS..EExtended strand (participates in β ladder)trans-149.5173.817800000112.2I51 F52I51-G123 WeakPolarHBondContact CA-O 3.12Å; F52-G123 PolarHBondContact N-O 3.26Å; F52-G123 PolarHBondContact O-N 2.8Å
124Q92.1Very high78Confident81 Ų8193.4 Ų93.438%0.37950%0.496SS..EExtended strand (participates in β ladder)trans-69.1134.1176.2-169.6136.858.900110.7I46 L106I46-Q124 HydrophobicContact CB-CG 4.45Å; I46-Q124 HydrophobicContact CG1-CG 4.26Å; I46-Q124 VanDerWaalsContact CG2-CD 3.4Å; I46-Q124 HydrophobicContact CG2-CG 3.5Å; I46-Q124 VanDerWaalsContact CG2-CG 3.5Å; L106-Q124 HydrophobicContact CD1-CB 4.17Å; L106-Q124 HydrophobicContact CD1-CG 4.48Å
125A94.3Very high75.7Confident0 Ų093 Ų930%050%0.504CS..EExtended strand (participates in β ladder)trans-76.3131.2176.100000110.8I47 R50 F93I47-A125 HydrophobicContact CB-CB 4.35Å; I47-A125 PolarHBondContact N-O 2.9Å; R50-A125 HydrophobicContact CB-CB 3.76Å; R50-A125 HydrophobicContact CG-CB 3.75Å; R50-A125 WeakPolarHBondContact O-CB 3.23Å; R50-A125 PolarHBondContact O-N 2.82Å; F93-A125 HydrophobicContact CD1-CB 3.91Å; F93-A125 HydrophobicContact CE1-CB 4.25Å
126V91.3Very high73.5Confident50 Ų5099.7 Ų99.730%0.30353%0.533SS..EExtended strand (participates in β ladder)trans-118.5122.5177.8-179.50000109.6I46 K128I46-V126 HydrophobicContact CG1-CG2 4.4Å; V126-K128 PolarHBondContact O-N 2.62Å
127K88.5Confident71.5Confident132 Ų132101 Ų10157%0.57456%0.559SS**EExtended strand (participates in β ladder)trans-79107.6167.9-168.7177.6178.4-177.80108.3G44 T45 I47 N129G44-K127 CarbonylContact C-O 3.5Å; G44-K127 WeakPolarHBondContact CA-O 3.48Å; T45-K127 PolarHBondContact N-O 2.98Å; T45-K127 PolarHBondContact O-N 2.79Å; I47-K127 HydrophobicContact CD1-CB 3.96Å; I47-K127 HydrophobicContact CG1-CB 3.97Å; K127-N129 PolarHBondContact O-N 3.37Å
128K82.4Confident69.5Low134 Ų13499.9 Ų99.958%0.58355%0.551SS**  trans-67.3118.9168.3-170.2172.2-177173.50108.5V126 H130V126-K128 PolarHBondContact O-N 2.62Å; K128-H130 PolarHBondContact O-N 2.96Å; K128-H130 VanDerWaalsContact O-N 3.07Å
129N72.6Confident67.6Low92 Ų92104.4 Ų104.449%0.49258%0.579SS.*  trans-64.4114171.6-70-25.4000107.3K127 S131K127-N129 PolarHBondContact O-N 3.37Å; N129-S131 PolarHBondContact O-N 2.92Å
130H52.6Low65.3Low176 Ų176104.9 Ų104.982%0.81559%0.592SS**  trans-70.781.5166.7-74.5-89.9000107.3K128 S132K128-H130 PolarHBondContact O-N 2.96Å; K128-H130 VanDerWaalsContact O-N 3.07Å; H130-S132 PolarHBondContact O-N 3.04Å
131S48.8Very low62.9Low116 Ų116115.5 Ų115.581%0.81163%0.631SS**  trans-65.782.9151.945.40000106.6N129 G133N129-S131 PolarHBondContact O-N 2.92Å; S131-G133 PolarHBondContact O-N 3.08Å; S131-G133 VanDerWaalsContact O-N 3.08Å
132S42.2Very low60.5Low117 Ų117121 Ų12182%0.81865%0.652SS**  trans-56.7109168.449.10000108.8H130H130-S132 PolarHBondContact O-N 3.04Å
133G40.7Very low57.8Low63 Ų63123.7 Ų123.765%0.64968%0.681SS**  trans146.694.7154.500000116.8S131 G135S131-G133 PolarHBondContact O-N 3.08Å; S131-G133 VanDerWaalsContact O-N 3.08Å; G133-G135 PolarHBondContact O-N 3.38Å
134K44.3Very low55.4Low227 Ų227129.6 Ų129.699%0.98771%0.707SS**  -65.2107.9128.3-77.8179174.4176.50106.3
135G38.1Very low52.8Low70 Ų70133.4 Ų133.472%0.72273%0.729SS**  trans-178125.1179.200000113.3G133G133-G135 PolarHBondContact O-N 3.38Å
136K39.7Very low49.9Very low190 Ų190139.8 Ų139.883%0.82676%0.764SS**  trans-49.1137.1-173.6-64.2174.5174.1178.20114.3K138K136-K138 PolarHBondContact O-N 3.1Å; K136-K138 VanDerWaalsContact O-N 3.16Å
137A42.3Very low47.6Very low108 Ų108143.4 Ų143.489%0.89379%0.788SS**  trans-53.1116.9162.100000110.1
138K42.7Very low45.3Very low180 Ų180145.1 Ų145.178%0.78380%0.798SS**  trans-125.3111.7160.7-70.6-170.8-179.8-178.30107.1K136 T140K136-K138 PolarHBondContact O-N 3.1Å; K136-K138 VanDerWaalsContact O-N 3.16Å; K138-T140 PolarHBondContact O-N 2.84Å
139N46.6Very low43.3Very low176 Ų176147.5 Ų147.594%0.94181%0.814SS**  trans-42.7110.8162.7-108.32000109
140T44.2Very low41.9Very low132 Ų132146.6 Ų146.681%0.8181%0.814SS**  trans-124.8129.7159.4-58.60000107.5K138K138-T140 PolarHBondContact O-N 2.84Å
141R41Very low42.1Very low237 Ų237143.9 Ų143.989%0.89481%0.814SS**  trans-61.8153.8-166.6-67.3170.3173.2171.5-4.2111.9A143R141-A143 PolarHBondContact O-N 3.41Å
142M41.2Very low42.7Very low194 Ų194138.8 Ų138.896%0.95678%0.78SS**  trans-35126.2171.6-49.6-173.8-159.100113.1
143A36.2Very low44Very low102 Ų102136.4 Ų136.484%0.84376%0.76SS**  trans-130.1112.7148.400000106.4R141R141-A143 PolarHBondContact O-N 3.41Å
144N42.4Very low45.9Very low144 Ų144139 Ų13977%0.7775%0.754SS**  trans-68.5124.6176.6-177.4-52.3000109
145L36.2Very low47.5Very low162 Ų162137.3 Ų137.385%0.84874%0.742SS**  trans179.8129.5135-97.3143.4000111.2
146D34.3Very low49.6Very low134 Ų134137.3 Ų137.372%0.71773%0.726SS**  trans90.3100.9163.6-127.1-25.6000120.9Q148D146-Q148 PolarHBondContact O-N 2.78Å
147P43.3Very low51.2Low126 Ų126133 Ų13382%0.81872%0.715SS**  trans-84.419.4178.1-6.325000116.5
148Q39Very low52.9Low167 Ų167129.6 Ų129.678%0.7868%0.683SS**  trans-109.161.1-174.2-89.3-101.64.300113D146D146-Q148 PolarHBondContact O-N 2.78Å
149M40.6Very low53.7Low185 Ų185127.4 Ų127.491%0.91169%0.691SS**  trans-15870.8148.7-138.588.180.500108.7C151M149-C151 PolarHBondContact O-N 2.76Å
150S44.3Very low54.9Low73 Ų73123.8 Ų123.851%0.5168%0.675SS.*  trans-58.5124.2175.9-176.80000109.4G152S150-G152 PolarHBondContact O-N 3.19Å
151C55.6Low56.3Low119 Ų119120 Ų12080%0.80466%0.662SS**  trans-60.764.1160.155.20000110M149M149-C151 PolarHBondContact O-N 2.76Å
152G61.6Low57.6Low9 Ų9114.1 Ų114.19%0.09365%0.645CS.*  trans-94.2-38.9-14800000114.1S150 H167 K168S150-G152 PolarHBondContact O-N 3.19Å; G152-H167 VanDerWaalsContact C-ND1 3.29Å; G152-H167 WeakPolarHBondContact O-CA 3.15Å; G152-H167 VanDerWaalsContact O-CG 3.25Å; G152-H167 PolarHBondContact O-ND1 2.92Å; G152-K168 PolarHBondContact O-N 3.22Å
153T70.4Confident59.3Low67 Ų67108.3 Ų108.341%0.41162%0.621SS.*EExtended strand (participates in β ladder)trans-141.6129-161.1-45.80000111.9Y155 T165 Y166 H167T153-Y155 HydrophobicContact CG2-CE2 4.36Å; T153-T165 HydrophobicContact CG2-CG2 3.25Å; T153-Y166 CarbonylContact C-O 3.47Å; T153-Y166 VanDerWaalsContact CA-O 3.28Å; T153-Y166 WeakPolarHBondContact CA-O 3.45Å; T153-H167 HydrophobicContact CG2-CB 4.49Å; T153-H167 PolarHBondContact OG1-ND1 3Å
154F81.1Confident61.6Low116 Ų116105.8 Ų105.851%0.50959%0.59SS.*EExtended strand (participates in β ladder)trans-123.9146.5172.7-55.6-96.8000109.8L156 T165 Y166F154-L156 HydrophobicContact CB-CD1 3.31Å; F154-L156 HydrophobicContact CG-CD1 4.45Å; F154-T165 CarbonylContact O-C 3.57Å; F154-T165 VanDerWaalsContact O-CA 3.26Å; F154-T165 WeakPolarHBondContact O-CA 3.32Å; F154-Y166 AromaticContact CD2-CD1 3.9Å; F154-Y166 HydrophobicContact CD2-CD1 3.9Å; F154-Y166 HydrophobicContact CE2-CD1 4.42Å; F154-Y166 PolarHBondContact N-O 2.82Å; F154-Y166 PolarHBondContact O-N 3.18Å
155Y77.6Confident63.6Low192 Ų19299.5 Ų99.575%0.75356%0.557SS**EExtended strand (participates in β ladder)trans-107.9120.5172.4-62.3-91.1000108.4T153 T165T153-Y155 HydrophobicContact CG2-CE2 4.36Å; Y155-T165 VanDerWaalsContact CD1-OG1 3.23Å; Y155-T165 WeakPolarHBondContact CD1-OG1 3.09Å; Y155-T165 HydrophobicContact CE1-CG2 4.35Å; Y155-T165 VanDerWaalsContact CE1-OG1 3.26Å; Y155-T165 WeakPolarHBondContact CE1-OG1 3.32Å
156L82Confident66Low71 Ų7196.5 Ų96.537%0.37254%0.535SS..EExtended strand (participates in β ladder)trans-132.2165.1-173.9-71.392.1000110.3F154 P163 Y164F154-L156 HydrophobicContact CB-CD1 3.31Å; F154-L156 HydrophobicContact CG-CD1 4.45Å; L156-P163 WeakPolarHBondContact O-CA 3.42Å; L156-Y164 HydrophobicContact CB-CD1 4.03Å; L156-Y164 HydrophobicContact CB-CD2 4.42Å; L156-Y164 HydrophobicContact CB-CE1 3.41Å; L156-Y164 VanDerWaalsContact CB-CE1 3.41Å; L156-Y164 HydrophobicContact CB-CE2 3.87Å; L156-Y164 HydrophobicContact CD1-CE2 4.38Å; L156-Y164 WeakPolarHBondContact CD2-OH 3.28Å; L156-Y164 PolarHBondContact N-O 2.87Å; L156-Y164 WeakPolarHBondContact O-CD1 3.39Å; L156-Y164 PolarHBondContact O-N 3.14Å; L156-Y164 VanDerWaalsContact O-O 3.06Å
157T73.7Confident67.8Low98 Ų9892.5 Ų92.560%0.60151%0.512SS*.EExtended strand (participates in β ladder)trans-118.5143.2172.349.40000109.7H162T157-H162 CarbonylContact C-O 3.45Å; T157-H162 WeakPolarHBondContact CA-O 3.42Å
158T77.9Confident69.5Low37 Ų3793.7 Ų93.723%0.22750%0.504CS..  trans-66.4166.3169.153.80000110.6T160 G161 H162 Y164 F173T158-T160 PolarHBondContact O-N 3.12Å; T158-T160 VanDerWaalsContact O-N 3.1Å; T158-T160 PolarHBondContact OG1-OG1 2.93Å; T158-G161 PolarHBondContact O-N 3.36Å; T158-G161 PolarHBondContact OG1-N 3.48Å; T158-H162 PolarHBondContact N-O 2.82Å; T158-H162 WeakPolarHBondContact OG1-CB 3.35Å; T158-H162 PolarHBondContact OG1-N 2.84Å; T158-Y164 HydrophobicContact CG2-CD1 4.15Å; T158-Y164 HydrophobicContact CG2-CE1 4.3Å; T158-F173 HydrophobicContact CG2-CD1 4.45Å; T158-F173 HydrophobicContact CG2-CE1 3.69Å
159S58.9Low71.4Confident134 Ų13488.1 Ų88.194%0.93749%0.492SS*.THydrogen-bonded Turntrans-57-22.2169.951.80000113.1
160T70.8Confident73.1Confident101 Ų10182.7 Ų82.762%0.6247%0.469SS*.THydrogen-bonded Turntrans-91.38.4174.458.20000113.4T158 H162T158-T160 PolarHBondContact O-N 3.12Å; T158-T160 VanDerWaalsContact O-N 3.1Å; T158-T160 PolarHBondContact OG1-OG1 2.93Å; T160-H162 PolarHBondContact O-ND1 3.02Å; T160-H162 PolarHBondContact OG1-ND1 3.1Å
161G73.5Confident74.9Confident51 Ų5181.1 Ų81.153%0.52646%0.46SS..  trans80.810.6174.100000116.2T158T158-G161 PolarHBondContact O-N 3.36Å; T158-G161 PolarHBondContact OG1-N 3.48Å
162H70.1Confident76.1Confident115 Ų11581 Ų8153%0.53244%0.444SS..  trans-85.9126.8-177.2-65.641.5000111T157 T158 T160T157-H162 CarbonylContact C-O 3.45Å; T157-H162 WeakPolarHBondContact CA-O 3.42Å; T158-H162 PolarHBondContact N-O 2.82Å; T158-H162 WeakPolarHBondContact OG1-CB 3.35Å; T158-H162 PolarHBondContact OG1-N 2.84Å; T160-H162 PolarHBondContact O-ND1 3.02Å; T160-H162 PolarHBondContact OG1-ND1 3.1Å
163P76.4Confident77.3Confident72 Ų7286.5 Ų86.547%0.46847%0.466SS..EExtended strand (participates in β ladder)trans-72.3133.6-178.628.7-33.5000111.7L156 H174L156-P163 WeakPolarHBondContact O-CA 3.42Å; P163-H174 PolarHBondContact O-N 3.47Å; P163-H174 VanDerWaalsContact O-N 3.14Å
164Y83.8Confident77.4Confident48 Ų4888.2 Ų88.219%0.18847%0.469CS..EExtended strand (participates in β ladder)trans-139.6152.5173.175.1-85.1000111.7L156 T158 A171 Y172 F173L156-Y164 HydrophobicContact CB-CD1 4.03Å; L156-Y164 HydrophobicContact CB-CD2 4.42Å; L156-Y164 HydrophobicContact CB-CE1 3.41Å; L156-Y164 VanDerWaalsContact CB-CE1 3.41Å; L156-Y164 HydrophobicContact CB-CE2 3.87Å; L156-Y164 HydrophobicContact CD1-CE2 4.38Å; L156-Y164 WeakPolarHBondContact CD2-OH 3.28Å; L156-Y164 PolarHBondContact N-O 2.87Å; L156-Y164 WeakPolarHBondContact O-CD1 3.39Å; L156-Y164 PolarHBondContact O-N 3.14Å; L156-Y164 VanDerWaalsContact O-O 3.06Å; T158-Y164 HydrophobicContact CG2-CD1 4.15Å; T158-Y164 HydrophobicContact CG2-CE1 4.3Å; Y164-A171 HydrophobicContact CD2-CB 3.75Å; Y164-A171 HydrophobicContact CE2-CB 4.07Å; Y164-Y172 CarbonylContact C-O 3.44Å; Y164-Y172 WeakPolarHBondContact CA-O 3.44Å; Y164-Y172 VanDerWaalsContact CB-O 3.32Å; Y164-Y172 WeakPolarHBondContact CB-O 3.28Å; Y164-F173 HydrophobicContact CD1-CE1 4.28Å; Y164-F173 HydrophobicContact CG-CD1 4.41Å; Y164-F173 HydrophobicContact CG-CE1 4.16Å
165T84.1Confident76.2Confident13 Ų1387.6 Ų87.68%0.0848%0.477CS..EExtended strand (participates in β ladder)trans-104.5129.5174.5-65.90000109.1T153 F154 Y155 A171 Y172 H174T153-T165 HydrophobicContact CG2-CG2 3.25Å; F154-T165 CarbonylContact O-C 3.57Å; F154-T165 VanDerWaalsContact O-CA 3.26Å; F154-T165 WeakPolarHBondContact O-CA 3.32Å; Y155-T165 VanDerWaalsContact CD1-OG1 3.23Å; Y155-T165 WeakPolarHBondContact CD1-OG1 3.09Å; Y155-T165 HydrophobicContact CE1-CG2 4.35Å; Y155-T165 VanDerWaalsContact CE1-OG1 3.26Å; Y155-T165 WeakPolarHBondContact CE1-OG1 3.32Å; T165-A171 CarbonylContact O-C 3.57Å; T165-A171 WeakPolarHBondContact O-CA 3.42Å; T165-Y172 PolarHBondContact N-O 2.85Å; T165-Y172 WeakPolarHBondContact O-CD2 3.11Å; T165-Y172 PolarHBondContact O-N 2.97Å; T165-H174 PolarHBondContact OG1-CE1 2.93Å
166Y86.4Confident75.1Confident98 Ų9884.7 Ų84.738%0.38448%0.482SS..EExtended strand (participates in β ladder)trans-100.3113.9172.6-175.3-101.1000109.4T153 F154 G169 V170 A171T153-Y166 CarbonylContact C-O 3.47Å; T153-Y166 VanDerWaalsContact CA-O 3.28Å; T153-Y166 WeakPolarHBondContact CA-O 3.45Å; F154-Y166 AromaticContact CD2-CD1 3.9Å; F154-Y166 HydrophobicContact CD2-CD1 3.9Å; F154-Y166 HydrophobicContact CE2-CD1 4.42Å; F154-Y166 PolarHBondContact N-O 2.82Å; F154-Y166 PolarHBondContact O-N 3.18Å; Y166-G169 WeakPolarHBondContact OH-CA 3.07Å; Y166-V170 CarbonylContact C-O 3.44Å; Y166-V170 VanDerWaalsContact CA-O 3.31Å; Y166-V170 WeakPolarHBondContact CA-O 3.38Å; Y166-A171 HydrophobicContact CD2-CB 4.44Å
167H73.8Confident73.4Confident50 Ų5085.9 Ų85.923%0.23150%0.497CS..EExtended strand (participates in β ladder)trans-127.8123.6176.4-174.389.2000112.5G152 T153 G169 V170 Y172G152-H167 VanDerWaalsContact C-ND1 3.29Å; G152-H167 WeakPolarHBondContact O-CA 3.15Å; G152-H167 VanDerWaalsContact O-CG 3.25Å; G152-H167 PolarHBondContact O-ND1 2.92Å; T153-H167 HydrophobicContact CG2-CB 4.49Å; T153-H167 PolarHBondContact OG1-ND1 3Å; H167-G169 VanDerWaalsContact C-N 3.29Å; H167-G169 PolarHBondContact O-N 2.77Å; H167-V170 PolarHBondContact N-O 2.77Å; H167-V170 WeakPolarHBondContact O-CB 3.49Å; H167-V170 PolarHBondContact O-N 2.55Å; H167-Y172 HydrophobicContact CB-CD2 4.33Å; H167-Y172 HydrophobicContact CB-CE2 3.81Å
168K77.1Confident71.8Confident151 Ų15189 Ų8966%0.65751%0.507SS*.THydrogen-bonded Turntrans47.644176.4-64.6175.4-178.5162.10114.6G152G152-K168 PolarHBondContact O-N 3.22Å
169G79.4Confident70.1Confident50 Ų5093.6 Ų93.652%0.51553%0.529SS..THydrogen-bonded Turntrans92.8-5.818000000115Y166 H167Y166-G169 WeakPolarHBondContact OH-CA 3.07Å; H167-G169 VanDerWaalsContact C-N 3.29Å; H167-G169 PolarHBondContact O-N 2.77Å
170V76.9Confident69.3Low71 Ų7192.6 Ų92.643%0.4352%0.52SS..EExtended strand (participates in β ladder)trans-116.1132.4-173.3-174.10000110.5Y166 H167 Y172Y166-V170 CarbonylContact C-O 3.44Å; Y166-V170 VanDerWaalsContact CA-O 3.31Å; Y166-V170 WeakPolarHBondContact CA-O 3.38Å; H167-V170 PolarHBondContact N-O 2.77Å; H167-V170 WeakPolarHBondContact O-CB 3.49Å; H167-V170 PolarHBondContact O-N 2.55Å; V170-Y172 HydrophobicContact CB-CE2 3.92Å; V170-Y172 HydrophobicContact CG1-CD2 4.46Å; V170-Y172 HydrophobicContact CG1-CE1 4.5Å; V170-Y172 HydrophobicContact CG1-CE2 3.91Å
171A82.2Confident67.6Low40 Ų4095 Ų9533%0.33153%0.528SS..EExtended strand (participates in β ladder)trans-95.3127173.100000111Y164 T165 Y166 F173Y164-A171 HydrophobicContact CD2-CB 3.75Å; Y164-A171 HydrophobicContact CE2-CB 4.07Å; T165-A171 CarbonylContact O-C 3.57Å; T165-A171 WeakPolarHBondContact O-CA 3.42Å; Y166-A171 HydrophobicContact CD2-CB 4.44Å; A171-F173 HydrophobicContact CB-CE2 3.91Å; A171-F173 HydrophobicContact CB-CZ 4.3Å
172Y81.2Confident65.9Low118 Ų11895.9 Ų95.946%0.46353%0.53SS..EExtended strand (participates in β ladder)trans-107.9104.9178.3-61.8-93.1000108.8Y164 T165 H167 V170 H174Y164-Y172 CarbonylContact C-O 3.44Å; Y164-Y172 WeakPolarHBondContact CA-O 3.44Å; Y164-Y172 VanDerWaalsContact CB-O 3.32Å; Y164-Y172 WeakPolarHBondContact CB-O 3.28Å; T165-Y172 PolarHBondContact N-O 2.85Å; T165-Y172 WeakPolarHBondContact O-CD2 3.11Å; T165-Y172 PolarHBondContact O-N 2.97Å; H167-Y172 HydrophobicContact CB-CD2 4.33Å; H167-Y172 HydrophobicContact CB-CE2 3.81Å; V170-Y172 HydrophobicContact CB-CE2 3.92Å; V170-Y172 HydrophobicContact CG1-CD2 4.46Å; V170-Y172 HydrophobicContact CG1-CE1 4.5Å; V170-Y172 HydrophobicContact CG1-CE2 3.91Å; Y172-H174 PolarHBondContact O-CE1 3.03Å; Y172-H174 PolarHBondContact O-ND1 2.97Å
173F85.7Confident64.3Low124 Ų12498.6 Ų98.654%0.54454%0.543SS..EExtended strand (participates in β ladder)trans-81.3127178.2-65.5-91.7000109.8T158 Y164 A171 C175T158-F173 HydrophobicContact CG2-CD1 4.45Å; T158-F173 HydrophobicContact CG2-CE1 3.69Å; Y164-F173 HydrophobicContact CD1-CE1 4.28Å; Y164-F173 HydrophobicContact CG-CD1 4.41Å; Y164-F173 HydrophobicContact CG-CE1 4.16Å; A171-F173 HydrophobicContact CB-CE2 3.91Å; A171-F173 HydrophobicContact CB-CZ 4.3Å; F173-C175 PolarHBondContact O-N 3.36Å
174H72.6Confident62.6Low102 Ų102103 Ų10347%0.47256%0.557SS.*  trans-90.497178.2-62.673.2000107.6P163 T165 Y172 P176P163-H174 PolarHBondContact O-N 3.47Å; P163-H174 VanDerWaalsContact O-N 3.14Å; T165-H174 PolarHBondContact OG1-CE1 2.93Å; Y172-H174 PolarHBondContact O-CE1 3.03Å; Y172-H174 PolarHBondContact O-ND1 2.97Å; H174-P176 VanDerWaalsContact O-CD 3.29Å; H174-P176 WeakPolarHBondContact O-CD 3.24Å
175C57.1Low59.9Low103 Ų103111 Ų11170%0.69659%0.587SS**  trans-82.3116.2166-62.30000107.3F173 S177F173-C175 PolarHBondContact O-N 3.36Å; C175-S177 PolarHBondContact O-N 2.9Å
176P52.5Low57.2Low131 Ų131116 Ų11685%0.85162%0.623SS**  trans-64.394.3159.726.3-29000106.1H174H174-P176 VanDerWaalsContact O-CD 3.29Å; H174-P176 WeakPolarHBondContact O-CD 3.24Å
177S46.9Very low54.5Low97 Ų97115.5 Ų115.568%0.67863%0.633SS**  trans-68.5148.8-171.979.60000110.2C175 N179C175-S177 PolarHBondContact O-N 2.9Å; S177-N179 PolarHBondContact O-N 2.99Å
178M39.5Very low52.3Low164 Ų164118.5 Ų118.581%0.80866%0.655SS**  trans-16.7126.6142.1-62.1-88.377.200111.9P180M178-P180 WeakPolarHBondContact O-CD 3.18Å
179N42.9Very low49.9Very low132 Ų132120.4 Ų120.471%0.70666%0.664SS**  trans-86103.2170.8-175.821.6000108.2S177 L181S177-N179 PolarHBondContact O-N 2.99Å; N179-L181 VanDerWaalsContact C-N 3.29Å; N179-L181 PolarHBondContact O-N 2.97Å
180P41.6Very low47.6Very low114 Ų114122.3 Ų122.374%0.7467%0.669SS**  trans-84.182.6160.233.1-31.1000107.7M178 A182M178-P180 WeakPolarHBondContact O-CD 3.18Å; P180-A182 PolarHBondContact O-N 3.34Å; P180-A182 VanDerWaalsContact O-N 3.1Å
181L36.8Very low45.4Very low150 Ų150127.1 Ų127.179%0.78569%0.687SS**  trans-68.3106.6165.4-169.975.8000107.8N179N179-L181 VanDerWaalsContact C-N 3.29Å; N179-L181 PolarHBondContact O-N 2.97Å
182A37.5Very low42.8Very low70 Ų70131.6 Ų131.658%0.57971%0.706SS**  trans141.979.6146.700000113.6P180P180-A182 PolarHBondContact O-N 3.34Å; P180-A182 VanDerWaalsContact O-N 3.1Å
183H36.1Very low40.4Very low172 Ų172133 Ų13380%0.79672%0.719SS**  trans-123.594.7144.3-75-66.6000109
184H39.6Very low37.7Very low165 Ų165130.8 Ų130.876%0.76472%0.724SS**  trans-40.4127.5155.155-78.1000111.2
185W28Very low36Very low215 Ų215132.8 Ų132.881%0.81474%0.738SS**  trans-153.7122.1133.661.3-82.5000107.2
186S28.1Very low34.7Very low120 Ų120136.2 Ų136.284%0.83974%0.744SS**  trans-81.5139161.3-61.70000107.2
187S28.8Very low33.9Very low86 Ų86139.9 Ų139.960%0.60174%0.743SS**  155111.4118.7-151.80000111
188V28Very low33Very low114 Ų114143.2 Ų143.269%0.69175%0.747SS**  55.4129121.5-178.30000120.6
189F27.1Very low32.6Very low190 Ų190146.3 Ų146.383%0.83375%0.75SS**  trans88.3122.6151.9-86.4-56.4000122.4
190S30.1Very low32.2Very low91 Ų91147 Ų14764%0.63675%0.754SS**  trans73.1111.9133.6-71.40000123.5
191Q32.1Very low31.8Very low171 Ų171148.8 Ų148.880%0.79976%0.756SS**  60.6115.7110.5-127.8159.95.900120.8
192D26.5Very low31.7Very low135 Ų135146 Ų14672%0.72276%0.755SS**  trans91.9137.9132.6-108.6-34.1000123.3
193I30.3Very low31.5Very low146 Ų146151.5 Ų151.575%0.74977%0.768SS**  trans86.4111.7149.7-62.2166000121.6
194A30.7Very low31.4Very low78 Ų78149.5 Ų149.565%0.64577%0.768SS**  trans66.4127.2131.900000124.1
195N35.8Very low31.4Very low144 Ų144147 Ų14777%0.7777%0.766SS**  trans24.5128.9130.5-66.2-39.7000118.1
196Q29Very low32.3Very low176 Ų176142.8 Ų142.882%0.82276%0.764SS**  -177.3126114.5-89.4-99-13.800110
197Y36.4Very low33.1Very low208 Ų208142.9 Ų142.982%0.81676%0.762SS**  trans-82.7125.1170.4-67.3-92000108.9
198Q28Very low33.5Very low166 Ų166148.3 Ų148.378%0.77678%0.775SS**  trans-149.8108.9157.4-161.9159.22.800110.6
199W30.2Very low33.8Very low229 Ų229148.7 Ų148.787%0.86778%0.783SS**  trans-78.1131.7168-78.8101.3000109.3
200N35.8Very low34.1Very low147 Ų147144.3 Ų144.379%0.78678%0.782SS**  trans-136.4118.7154.6-92.2-13.9000110
201I33.5Very low34.3Very low152 Ų152144.4 Ų144.478%0.77979%0.788SS**  trans-76.8124.7168.9-66.9-178.5000107.3
202A33.7Very low34.2Very low92 Ų92144.3 Ų144.376%0.7679%0.79SS**  trans-134.1109.8160.200000108.1
203Q33.1Very low34.5Very low184 Ų184148.8 Ų148.886%0.8680%0.798SS**  trans-66.2135168.6-62.5-166.3-20.700109.3
204V34.8Very low34.6Very low130 Ų130147.3 Ų147.379%0.78880%0.801SS**  trans-137.9135.1159.4-1760000108.8
205P40.3Very low34.6Very low112 Ų112151.6 Ų151.673%0.72781%0.807SS**PPolyproline II helixtrans-79.4146.1-173.8-2.821.6000111.8P207P205-P207 WeakPolarHBondContact O-CD 3.34Å
206T46.2Very low34.5Very low128 Ų128153.6 Ų153.679%0.78581%0.812SS**PPolyproline II helixtrans-56.3134.1160.7450000111.4
207P45.1Very low35.1Very low121 Ų121150.3 Ų150.379%0.78681%0.806SS**PPolyproline II helixtrans-95.6127.9150.130.9-25.9000110.5P205P205-P207 WeakPolarHBondContact O-CD 3.34Å
208F36.1Very low34.7Very low200 Ų200149.5 Ų149.588%0.87781%0.81SS**PPolyproline II helixtrans-46.2136.9160.8-95-111.5000111.4
209S36Very low34.9Very low122 Ų122151.6 Ų151.685%0.85381%0.812SS**  trans-119.3104.6154.158.90000108.8
210A33.3Very low35Very low98 Ų98146.6 Ų146.681%0.8181%0.809SS**  trans-78.7132.4163.300000109.5
211A32.7Very low34.9Very low93 Ų93150.1 Ų150.177%0.76981%0.813SS**  trans179.3142.8156.800000105.6
212M31.1Very low35Very low170 Ų170152.2 Ų152.284%0.83782%0.819SS**  cis-164.6136.1-0.7-109-79.6117.100103.1S214M212-S214 PolarHBondContact O-N 3.48Å; M212-S214 VanDerWaalsContact O-N 3.14Å
213Y32.5Very low34.9Very low228 Ų228152.1 Ų152.189%0.89482%0.818SS**  trans-66110.5169.6-141.2-96.4000106.8
214S32.4Very low35.2Very low115 Ų115151.3 Ų151.380%0.80482%0.819SS**  trans-111132.3170.7-167.90000110M212M212-S214 PolarHBondContact O-N 3.48Å; M212-S214 VanDerWaalsContact O-N 3.14Å
215Q30.8Very low35.2Very low168 Ų168153 Ų15379%0.78582%0.823SS**  trans-73.4156.5-161.4-58.6177.527.200112.4
216Q32.9Very low35.3Very low186 Ų186150.9 Ų150.987%0.86982%0.823SS**  trans-66.7140.2170-56.9-138.4-46.600110.3E218Q216-E218 PolarHBondContact O-N 3.09Å
217P41.2Very low34.8Very low108 Ų108150.8 Ų150.870%0.70183%0.827SS**  trans-77.2115.916326.6-27000110.4
218E28.6Very low34.2Very low190 Ų190150 Ų15089%0.88882%0.824SS**PPolyproline II helixtrans-50.5126.8153-86.7175.694.700109.7Q216Q216-E218 PolarHBondContact O-N 3.09Å
219Y32Very low34.4Very low211 Ų211151.2 Ų151.283%0.82783%0.825SS**PPolyproline II helixtrans-92.1123.9166.5-86.5-85.4000109.5
220P33.2Very low34.9Very low123 Ų123153.6 Ų153.680%0.79983%0.827SS**PPolyproline II helixtrans-73.3129.9174.3-12.427.3000111.2
221Y32.8Very low35.2Very low221 Ų221154.4 Ų154.487%0.86782%0.824SS**PPolyproline II helixtrans-75.9134.6166.5-110.8-93000110.4
222Q35.5Very low35.8Very low197 Ų197155.7 Ų155.792%0.92182%0.824SS**  trans-123.1119.3151.8-85.2175.6-13.500108
223A33.4Very low36Very low89 Ų89151.1 Ų151.174%0.73682%0.821SS**  trans-91.4134.8174.300000109.6
224L38.4Very low36.3Very low167 Ų167146.5 Ų146.587%0.87482%0.819SS**  trans-140122.5157.3-93.9161.9000106.9
225D34.5Very low36.4Very low165 Ų165145.8 Ų145.888%0.88282%0.82SS**SBendtrans76.6135.6-179.585.622.1000118.3
226G42.6Very low36.9Very low69 Ų69146.8 Ų146.871%0.71183%0.827SS**  trans-102.2138.6-153.800000113.2
227S34.8Very low37Very low126 Ų126147.5 Ų147.588%0.88183%0.83SS**  trans-169.9130.3131.6-85.60000109.6
228S34.5Very low36.6Very low103 Ų103146.1 Ų146.172%0.7284%0.836SS**  trans-52.2148.3172.6-43.90000111.8
229Y38.4Very low36.7Very low226 Ų226144.7 Ų144.789%0.88683%0.834SS**  -178.8113.3124.5-93.3-69.8000109.2
230L47.3Very low36.6Very low172 Ų172141.3 Ų141.390%0.90184%0.836SS**PPolyproline II helixtrans-72.1131.3161.3-78.7162.1000108.7
231P40.6Very low36.7Very low115 Ų115140.9 Ų140.975%0.74783%0.833SS**PPolyproline II helixtrans-92.2145.1159.930.2-26.5000111.7
232P44.2Very low36.4Very low120 Ų120139.4 Ų139.478%0.77983%0.834SS**PPolyproline II helixtrans-77.5145.1-163.730.6-35.6000113.6
233G36.4Very low35.9Very low75 Ų75138.2 Ų138.277%0.77383%0.826SS**PPolyproline II helixtrans-71.2134.1166.800000111
234P36.9Very low35.8Very low131 Ų131142.4 Ų142.485%0.85184%0.835SS**PPolyproline II helixtrans-89.3129.1174.330.8-28.4000111.6
235A36.2Very low35.2Very low100 Ų100141.4 Ų141.483%0.82683%0.826SS**PPolyproline II helixtrans-74.2157.7167.600000111.7
236M41.6Very low34.8Very low189 Ų189137.9 Ų137.993%0.93181%0.814SS**PPolyproline II helixtrans-64.7139.9175.1-104.2-165.516200112.9
237E34.4Very low34Very low200 Ų200140.5 Ų140.594%0.93582%0.817SS**  176.2140.8129.9-101.4-175.2156.600111.5
238G32.8Very low33.8Very low79 Ų79139.3 Ų139.381%0.81481%0.814SS**  trans115.9140.4151.200000118.6
239N29.7Very low33.8Very low160 Ų160139.8 Ų139.886%0.85682%0.815SS**  trans-86.7161.4-163.1-72.7-19.8000116.1
240T29.9Very low33.5Very low141 Ų141136.9 Ų136.987%0.86581%0.809SS**  trans88139.8157.126.90000119.6
241P35.5Very low32.6Very low114 Ų114137.7 Ų137.774%0.7481%0.806SS**  trans-106.4150.5-147.639.3-30.9000113.9
242E26.1Very low32.1Very low190 Ų190143.5 Ų143.589%0.88882%0.815SS**  trans-146129.1156.5-90-147126.800112.9
243F25.2Very low31.6Very low172 Ų172143.3 Ų143.375%0.75482%0.816SS**  trans34114.2146.9-124.8-102.2000119.7E245F243-E245 HydrophobicContact CE1-CB 4.47Å
244L31.6Very low31.3Very low177 Ų177142.5 Ų142.593%0.92781%0.808SS**  trans-133.4121.8146.9-134.1116.2000110.5
245E25.8Very low31.7Very low146 Ų146145.7 Ų145.768%0.68281%0.814SS**  trans-82.3158.9169.7-179.3155.6126.200110.8F243F243-E245 HydrophobicContact CE1-CB 4.47Å
246S26.8Very low31.9Very low91 Ų91146.2 Ų146.264%0.63681%0.807SS**  trans92.8109.5154.8-97.30000119.8
247T25.4Very low31.6Very low124 Ų124143.4 Ų143.476%0.76180%0.803SS**  72.297118.6-52.90000117.1
248A29.5Very low31.9Very low100 Ų100140.8 Ų140.883%0.82679%0.793SS**  trans-104.8129.1153.800000109.4
249P35Very low32.1Very low113 Ų113141.1 Ų141.173%0.73479%0.788SS**  trans-86.3165171.534.3-30.9000112.4
250H33.5Very low32.6Very low165 Ų165141.2 Ų141.276%0.76479%0.788SS**  trans-48146.9-177-57.5-89.3000116.8
251F27.5Very low33.1Very low189 Ų189142.9 Ų142.983%0.82979%0.786SS**  157.3122.1108.8-94-80000110
252Y30.3Very low33.1Very low238 Ų238145.8 Ų145.893%0.93379%0.79SS**  trans-148120.7141.2-114.1-82.8000110.1
253S33Very low33.4Very low115 Ų115143 Ų14380%0.80478%0.781SS**  trans-80.3138.1164.5175.30000108.6
254G31.7Very low34.3Very low59 Ų59139.7 Ų139.761%0.60878%0.777SS**  trans162.2107.9171.700000113T256G254-T256 PolarHBondContact O-N 2.79Å
255M43.8Very low34.8Very low197 Ų197142.2 Ų142.297%0.9777%0.774SS**  trans-56.5114.8174-72.3155.967.900110.6
256T39.8Very low35.4Very low111 Ų111144.4 Ų144.468%0.68178%0.784SS**  trans-134.6135163.155.20000109.5G254 I258G254-T256 PolarHBondContact O-N 2.79Å; T256-I258 PolarHBondContact O-N 3.48Å
257P36.4Very low35.6Very low130 Ų130146 Ų14684%0.84480%0.795SS**  trans-72.4117.3169.128.2-30.8000109.1A259P257-A259 PolarHBondContact O-N 3.11Å
258I41.5Very low36.4Very low145 Ų145148.5 Ų148.574%0.74480%0.798SS**  trans-81.8100.8169.5-62173.7000107.6T256 L260T256-I258 PolarHBondContact O-N 3.48Å; I258-L260 HydrophobicContact CG2-CD2 4.42Å; I258-L260 HydrophobicContact CG2-CG 4.25Å; I258-L260 PolarHBondContact O-N 3.46Å
259A35.8Very low36.8Very low86 Ų86151.1 Ų151.171%0.71180%0.798SS**  trans-76.8107.4162.900000108.1P257 Q261P257-A259 PolarHBondContact O-N 3.11Å; A259-Q261 VanDerWaalsContact C-N 3.34Å; A259-Q261 PolarHBondContact O-N 3.07Å
260L40.1Very low36.8Very low162 Ų162155.3 Ų155.385%0.84880%0.804SS**  trans-74.292169-79.1171.1000108.9I258 H262I258-L260 HydrophobicContact CG2-CD2 4.42Å; I258-L260 HydrophobicContact CG2-CG 4.25Å; I258-L260 PolarHBondContact O-N 3.46Å; L260-H262 PolarHBondContact O-N 3.24Å
261Q41.3Very low37.1Very low177 Ų177153.2 Ų153.283%0.82781%0.806SS**  trans-74.3104.2166.3-164.680.316.100107.8A259 D263A259-Q261 VanDerWaalsContact C-N 3.34Å; A259-Q261 PolarHBondContact O-N 3.07Å; Q261-D263 PolarHBondContact O-N 2.65Å
262H36Very low37.7Very low175 Ų175155.8 Ų155.881%0.8181%0.81SS**  trans-79.6106172.8-148.9-66.9000108.5L260L260-H262 PolarHBondContact O-N 3.24Å
263D31.1Very low38Very low132 Ų132150.5 Ų150.571%0.70681%0.808SS**  trans-74.7128.1172.5-152.5-22.9000109.2Q261 R265Q261-D263 PolarHBondContact O-N 2.65Å; D263-R265 PolarHBondContact O-N 2.77Å
264P44.7Very low38.6Very low102 Ų102156.1 Ų156.166%0.66281%0.811SS**  trans-98.277.3-178.936.5-29.3000109.8
265R41.4Very low39Very low230 Ų230159.8 Ų159.887%0.86882%0.822SS**  trans-163.6131.6156.9-100.7138.6-162.8-1377.5111D263D263-R265 PolarHBondContact O-N 2.77Å
266E38.9Very low39.2Very low191 Ų191157.5 Ų157.589%0.89381%0.808SS**  trans79.991.2172.5-57.8-159.5150.100118.4
267S31.5Very low39.5Very low125 Ų125159.9 Ų159.987%0.87482%0.816SS**  trans-141.588.7133.752.70000109.5
268Q41.3Very low40.3Very low176 Ų176161.7 Ų161.782%0.82281%0.811SS**  trans-71.9115.3155.1-75.6-80.74.700106.7
269L37.8Very low40.3Very low156 Ų156160.7 Ų160.782%0.81781%0.814SS**  trans-177.571.9152.4-99.7168.2000110
270F35.7Very low40.4Very low200 Ų200168 Ų16888%0.87782%0.823SS**  trans-149.5134.3151.4-74.6-68.4000109.7
271P39.1Very low40.4Very low122 Ų122169.2 Ų169.279%0.79282%0.824SS**  trans-71.9142.1-178.228.9-31.9000111.3S273P271-S273 PolarHBondContact O-N 2.78Å
272R41.4Very low40.5Very low243 Ų243172.4 Ų172.492%0.91783%0.828SS**  trans-65.7111.3175.1-75177164.2167.6-3.5110.5R274R272-R274 PolarHBondContact O-N 3.24Å
273S35.8Very low40.5Very low127 Ų127175 Ų17589%0.88883%0.831SS**  trans-77.6102.7161.157.40000109.2P271P271-S273 PolarHBondContact O-N 2.78Å
274R46Very low40.7Very low232 Ų232178.7 Ų178.788%0.87584%0.836SS**  trans-111.987.7174.5-155.9-171.2-159.3-162.35.9108R272R272-R274 PolarHBondContact O-N 3.24Å
275V39.2Very low40.6Very low137 Ų137179.9 Ų179.983%0.8384%0.842SS**  trans-137118.2153.2-171.30000110
276H48.8Very low40.4Very low148 Ų148176.3 Ų176.369%0.68584%0.835SS**  trans-79.4114.3179.8-175.198.7000109.4
277L45.2Very low40.8Very low161 Ų161171.6 Ų171.684%0.84382%0.821SS**  trans-134.8108.1161-78170.9000109.9
278K54.4Low41Very low169 Ų169174.4 Ų174.474%0.73582%0.817SS**PPolyproline II helixtrans-57138.5176.1-69.3167.3173.3172.20111.5
279P40Very low40.7Very low124 Ų124171.8 Ų171.881%0.80581%0.809SS**PPolyproline II helixtrans-84.1122.5153.5-7.926.2000109.3
280R39.5Very low40.8Very low238 Ų238174.7 Ų174.790%0.89881%0.811SS**PPolyproline II helixtrans-51.4139.4176.9-72.5175.7162.2175.9-5.6112R282R280-R282 PolarHBondContact O-N 3.12Å; R280-R282 VanDerWaalsContact O-N 3.12Å
281H38.8Very low40.9Very low189 Ų189175.2 Ų175.288%0.87581%0.808SS**  trans-46.2115.1162.1-85.922.6000110.5
282R42.9Very low41.1Very low243 Ų243178.3 Ų178.392%0.91781%0.812SS**  trans-102.5104.9160.4-153.2172.4172.8-175.1-3.5106.1R280 Y284R280-R282 PolarHBondContact O-N 3.12Å; R280-R282 VanDerWaalsContact O-N 3.12Å; R282-Y284 PolarHBondContact O-N 3.24Å
283R38Very low41.3Very low230 Ų230173.5 Ų173.587%0.86880%0.803SS**  trans-56.6121.3175.1-64.1-178.2-171.2173.32.2107.9
284Y33.4Very low41.7Very low209 Ų209173 Ų17382%0.8280%0.797SS**  trans-98.7109.3164.4-162.3-94000106.4R282 H286R282-Y284 PolarHBondContact O-N 3.24Å; Y284-H286 HydrophobicContact CE1-CB 4.03Å
285T43.1Very low41.2Very low128 Ų128170.5 Ų170.579%0.78580%0.795SS**  trans-109.6126.5169.143.80000107.8
286H37Very low42Very low155 Ų155169.1 Ų169.172%0.71879%0.789SS**  trans-154.9161166.6-165-102.9000106.3Y284Y284-H286 HydrophobicContact CE1-CB 4.03Å
287P47.9Very low41.6Very low91 Ų91167.5 Ų167.559%0.59179%0.79SS**  cis-113.4165.5-17.59.113.2000111.8
288K34.8Very low41.2Very low184 Ų184168.1 Ų168.180%0.879%0.788SS**  trans-162.3126.6132.4-79.7-151.1-179.9177.90109.3
289D35.4Very low41.2Very low121 Ų121165.5 Ų165.565%0.64779%0.791SS**  trans50.4118.8140-40.4-33.6000116.2
290Y39.5Very low42.1Very low218 Ų218165 Ų16586%0.85579%0.789SS**  -155136.674.2-90.5-90.4000111.9H292Y290-H292 PolarHBondContact O-N 3.22Å
291Y38Very low42.1Very low210 Ų210160.9 Ų160.982%0.82478%0.784SS**  trans-56.7126.8153.1-74.1-99.7000109.2
292H43.7Very low42.3Very low188 Ų188156.2 Ų156.287%0.8778%0.778SS**  trans-107.496151.6-102.7-65.9000107.5Y290Y290-H292 PolarHBondContact O-N 3.22Å
293L46.5Very low42.3Very low141 Ų141149 Ų14974%0.73877%0.771SS**PPolyproline II helixtrans-69.5146.3153.6-88151.9000108.2
294P43.2Very low42.6Very low117 Ų117142.9 Ų142.976%0.7677%0.769SS**PPolyproline II helixtrans-75.3125.6173.230.2-29.5000109.3
295E36.8Very low43Very low180 Ų180142.4 Ų142.484%0.84177%0.772SS**PPolyproline II helixtrans-82.5139.6168.4-110.1-159.5162.400110.9
296P56.1Low43.5Very low107 Ų107141 Ų14170%0.69576%0.764SS**PPolyproline II helixtrans-96.6132.6171.935.8-26.8000110.3
297T39.8Very low43.9Very low115 Ų115142.5 Ų142.571%0.70677%0.769SS**  trans161.6145.7162.126.70000106.2
298E37.2Very low43.9Very low173 Ų173147.4 Ų147.481%0.80878%0.784SS**  cis-166.7145.1-11.8-116.5175.3167.200102.9
299S54.4Low45.3Very low114 Ų114142.6 Ų142.680%0.79778%0.778SS**  trans-81.5134.8171.8150.20000109.2
300P57.5Low46.3Very low115 Ų115142.6 Ų142.675%0.74779%0.785SS**  trans-102112.9153.932.8-21.8000107.9
301D40.9Very low46.9Very low150 Ų150144.1 Ų144.180%0.80279%0.79SS**  78.3106.878.4-160.114.5000112
302A43Very low47.9Very low92 Ų92141.2 Ų141.276%0.7679%0.793SS**  trans-176.193141.700000110.7
303A43.1Very low48.5Very low91 Ų91139.3 Ų139.375%0.75282%0.824SS**  trans56.7109.813200000120.2
304A43.9Very low48.6Very low101 Ų101139.2 Ų139.284%0.83583%0.828SS**  -177.9108.4108.400000111.5
305F41.8Very low48.8Very low200 Ų200140.4 Ų140.488%0.87783%0.832SS**  trans-59.1175.8159.2-74.8-76.9000112.3
306P53.2Low49.5Very low97 Ų97138.2 Ų138.263%0.6383%0.832SS**  cis-144.8-178.9-26.835.7-15000116.2
307F44.6Very low49.1Very low187 Ų187140 Ų14082%0.8284%0.84SS**  trans64.4106.5147.6-79.8-70.5000121.4
308H47.9Very low49.7Very low194 Ų194141.6 Ų141.690%0.89885%0.848SS**  -153.5133.8119.3-119.949.2000112.7
309A64Low50.5Low83 Ų83139.5 Ų139.569%0.68685%0.851SS**PPolyproline II helixtrans-74160.9-174.100000113.5
310P57.8Low50.3Low122 Ų122141.3 Ų141.379%0.79285%0.854SS**PPolyproline II helixtrans-86.6129.416733.3-27.3000110.2
311R51.6Low49.7Very low250 Ų250143.3 Ų143.394%0.94386%0.863SS**PPolyproline II helixtrans-89.5121167.6-143.9180-169.8-156.82.7107.8
312V58.9Low50.4Low149 Ų149142.8 Ų142.890%0.90387%0.868SS**PPolyproline II helixtrans-85.2130.4162.9179.40000107.1
313G55.5Low51.1Low147 Ų147147.4 Ų147.4100%1.51588%0.877SS**  trans160.70179.400000110.3

Retrieved 313 of 313 residues in 213.2 ms (Link to these results)