A0A087YH53_POEFO Loading...

Family with sequence similarity 185 member A

AlphaFold DB , UniProt , Accession A0A087YH53, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 389 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
1M32.7Very low30.7Very low240 Ų240157.9 Ų157.9100%1.18288%0.875SS**  088.10-61.8178.6179.900105.7
2L32Very low30.9Very low158 Ų158157.2 Ų157.283%0.82788%0.878SS**  48.2100.376.3-87.6161.5000114.1
3W28.3Very low30.7Very low241 Ų241150.4 Ų150.491%0.91387%0.865SS**  trans178.3108.9140.9-89.45.5000106.7
4T30Very low30.9Very low124 Ų124150.7 Ų150.776%0.76186%0.861SS**  50.4112.772.660.10000116.5
5S31.3Very low30.9Very low124 Ų124152 Ų15287%0.86786%0.863SS**  165.4150.7124.81160000108
6A30.2Very low30.7Very low94 Ų94151.3 Ų151.378%0.77786%0.855SS**  cis-170.4154.4-9.600000105.5
7A29.5Very low30.6Very low97 Ų97156.8 Ų156.880%0.80286%0.859SS**  trans-77158.2-174.800000114.4
8Q29Very low30.3Very low202 Ų202153.8 Ų153.894%0.94485%0.85SS**  trans-152.8138139.9-116.1175.7-3.700112.6
9R30.6Very low30Very low252 Ų252159.3 Ų159.395%0.95186%0.857SS**  trans-88.6156.2-174.8-71.7171.5165.4173.4-4.8111.9
10G28.4Very low29.8Very low72 Ų72156.7 Ų156.774%0.74285%0.851SS**  trans175.5142152.500000113.7
11P35.9Very low29.7Very low133 Ų133157 Ų15786%0.86485%0.851SS**  trans-107159.1-146.937.4-27.7000115.5
12V32.8Very low29.5Very low149 Ų149151.6 Ų151.690%0.90383%0.832SS**PPolyproline II helixtrans-93.6119169.6178.70000109.3
13G28.7Very low29.2Very low69 Ų69148 Ų14871%0.71182%0.82SS**PPolyproline II helixtrans-85.7138177.400000113
14L32.6Very low29Very low155 Ų155142.8 Ų142.881%0.81282%0.819SS**PPolyproline II helixtrans-66.8135.6158.8-92.185.6000110
15L30.8Very low28.8Very low170 Ų170145 Ų14589%0.8982%0.82SS**  trans-134106.6158-88.7165.5000109.8
16L29.1Very low28.7Very low141 Ų141145.8 Ų145.874%0.73882%0.821SS**  trans-66.6141.4152.7-92.180.3000109
17R28.9Very low28.5Very low245 Ų245145.9 Ų145.993%0.92582%0.821SS**  trans-155.9122.5141.5-110177.5-169.3-142.52.3111.1
18C24.1Very low28.5Very low103 Ų103147.9 Ų147.970%0.69682%0.823SS**  trans-61158.9168-57.10000111.7
19W25.3Very low28.5Very low258 Ų258144.4 Ų144.498%0.97782%0.816SS**  -158.8144.1116.2-90.92.8000111.8
20S25.7Very low28.5Very low106 Ų106138.6 Ų138.674%0.74181%0.808SS**  trans-87.5153.5-166.738.70000114.3
21L28Very low28.6Very low163 Ų163141.1 Ų141.185%0.85381%0.812SS**  trans-143.9107.8153.5-89.2166000111.6
22T28.3Very low28.1Very low127 Ų127146.3 Ų146.378%0.77981%0.814SS**  trans50.1123.7133.742.10000123.5
23S25.4Very low27.6Very low83 Ų83145.6 Ų145.658%0.5881%0.814SS**  trans-58143.6166.9168.10000114.7H25S23-H25 PolarHBondContact OG-CD2 3.22Å
24C25Very low27.5Very low132 Ų132147.7 Ų147.789%0.89281%0.814SS**  trans-139.7115.9142.4-75.50000108.9
25H26.4Very low27.2Very low169 Ų169147.9 Ų147.978%0.78281%0.814SS**  trans-75.3140.4173.9-71.9-91.5000111.3S23S23-H25 PolarHBondContact OG-CD2 3.22Å
26T28Very low27Very low142 Ų142148 Ų14887%0.87182%0.815SS**  trans-145109.5149.1-2.40000108.2
27A26.9Very low27Very low96 Ų96145.8 Ų145.879%0.79382%0.817SS**  trans-76.9132.9176.400000109.4
28V28.4Very low26.9Very low139 Ų139138.5 Ų138.584%0.84280%0.804SS**  trans-126.4124.8160.7179.60000108.3
29T29.1Very low27.1Very low128 Ų128144.6 Ų144.679%0.78581%0.812SS**  trans-69.9138.9-167.441.10000114
30T31.2Very low27.2Very low130 Ų130142.5 Ų142.580%0.79881%0.805SS**  trans-73.3151.1159.3490000110.6
31P29.3Very low27.3Very low126 Ų126147.1 Ų147.182%0.81881%0.813SS**  trans-106.8122.7152.828.2-15.1000110.3
32R25.8Very low27.2Very low242 Ų242145 Ų14591%0.91381%0.812SS**  trans-69138.9155.4-79174.8162.7172.4-5.1108.5
33C22.1Very low27.3Very low133 Ų133144.4 Ų144.490%0.89981%0.812SS**  trans-126.1125.3156.7-159.30000108.9
34T27.3Very low27.5Very low114 Ų114145.3 Ų145.370%0.69982%0.818SS**  trans-100.1140.1-179.131.30000111.1
35L27.1Very low27.9Very low158 Ų158149.4 Ų149.483%0.82782%0.817SS**  trans68.9116.1150.3-63168000119
36L26.6Very low28.3Very low174 Ų174147.6 Ų147.691%0.91182%0.82SS**  -153.6119.7119.2-105.4153.5000109.6
37A29.1Very low28.3Very low93 Ų93145.4 Ų145.477%0.76982%0.816SS**  trans-71.2132.5167.400000109
38S26Very low28.7Very low93 Ų93150.8 Ų150.865%0.6582%0.822SS**  trans-139.4110160.8-176.20000108.1Y40S38-Y40 WeakPolarHBondContact OG-CD2 3.42Å; S38-Y40 WeakPolarHBondContact OG-CE2 3.33Å
39R28.6Very low28.9Very low230 Ų230148.2 Ų148.287%0.86882%0.815SS**  trans-80.9119167.2-71.5179.1179.8-175.9-0.2107
40Y27.4Very low29.2Very low214 Ų214148.3 Ų148.384%0.83982%0.818SS**  trans-136.7114153.3-78.7-78.6000108.6S38S38-Y40 WeakPolarHBondContact OG-CD2 3.42Å; S38-Y40 WeakPolarHBondContact OG-CE2 3.33Å
41F27.3Very low29.2Very low204 Ų204148.4 Ų148.490%0.89582%0.819SS**  trans-72.7132.4156.8-76.7-87.1000107.6
42S25.8Very low29.5Very low119 Ų119150.9 Ų150.983%0.83282%0.819SS**  trans-162.4126.7141.9-124.20000110.7
43S30.1Very low30Very low114 Ų114147 Ų14780%0.79782%0.817SS**  trans-72.3131.9171.154.70000111.1
44S30.3Very low30.5Very low101 Ų101143.4 Ų143.471%0.70680%0.801SS**  trans-172.3119.8149.649.90000111
45Y33.2Very low31.2Very low219 Ų219145.4 Ų145.486%0.85981%0.813SS**  trans33.7136.5150.8-62.9-86000121A47Y45-A47 PolarHBondContact O-N 3.49Å
46P33.7Very low32.3Very low130 Ų130146 Ų14684%0.84481%0.812SS**PPolyproline II helixtrans-66.3123177.527.4-30.8000110.8
47A29.6Very low34Very low96 Ų96140.4 Ų140.479%0.79379%0.79SS**PPolyproline II helixtrans-69.2135.7175.400000110.6Y45 A49Y45-A47 PolarHBondContact O-N 3.49Å; A47-A49 PolarHBondContact O-N 3.2Å
48K35Very low36.2Very low209 Ų209140.3 Ų140.391%0.90978%0.784SS**PPolyproline II helixtrans-54.7132.7170.6-84.1175.8170.4-179.90110.7
49A33Very low39Very low86 Ų86137.8 Ų137.871%0.71177%0.765SS**PPolyproline II helixtrans-61.9153167.800000111.1A47A47-A49 PolarHBondContact O-N 3.2Å
50P34.4Very low41.7Very low129 Ų129129.4 Ų129.484%0.83874%0.738SS**PPolyproline II helixtrans-69.4136.7-174.127.8-32.4000111.4H52P50-H52 PolarHBondContact O-N 3.25Å
51T32.3Very low44.6Very low133 Ų133124.5 Ų124.582%0.81672%0.718SS**PPolyproline II helixtrans-63.1122.4178.341.20000111.1
52H35.1Very low47.8Very low177 Ų177121.1 Ų121.182%0.81971%0.705SS**PPolyproline II helixtrans-76.4125.6163.1-148.8-83.3000107.4P50 G54P50-H52 PolarHBondContact O-N 3.25Å; H52-G54 PolarHBondContact O-N 3.45Å
53D35.8Very low51.1Low162 Ų162117.7 Ų117.787%0.86667%0.674SS**SBendtrans-67.6116.9176-87-37.9000110
54G34Very low54.2Low56 Ų56115.6 Ų115.658%0.57766%0.663SS**SBendtrans158.1117.4179.500000106.8H52 E56H52-G54 PolarHBondContact O-N 3.45Å; G54-E56 PolarHBondContact O-N 3.29Å
55V40.8Very low57.4Low157 Ų157112.4 Ų112.495%0.95264%0.638SS**  trans-65.787.8174.5179.60000107A57V55-A57 PolarHBondContact O-N 3.25Å
56E51.1Low60.4Low170 Ų170106.4 Ų106.479%0.79462%0.62SS**  trans-68.2113.5170.3-77.5-176.3169.300107.1G54 S58G54-E56 PolarHBondContact O-N 3.29Å; E56-S58 PolarHBondContact O-N 3.44Å
57A62.6Low63.5Low56 Ų56100.6 Ų100.646%0.46358%0.583SS.*PPolyproline II helixtrans-53.7137.417000000108.7V55V55-A57 PolarHBondContact O-N 3.25Å
58S75.1Confident66.6Low92 Ų9297 Ų9764%0.64355%0.551SS**PPolyproline II helixtrans-60.8131.3177.852.20000109.6E56E56-S58 PolarHBondContact O-N 3.44Å
59P83.9Confident69.4Low39 Ų3989.1 Ų89.125%0.25352%0.522SS..PPolyproline II helixtrans-64.9140.9-178.219.3-24.6000110.9R61 Q62 V101P59-R61 PolarHBondContact O-N 2.76Å; P59-Q62 HydrophobicContact CB-CG 3.87Å; P59-Q62 VanDerWaalsContact CG-CD 3.41Å; P59-Q62 HydrophobicContact CG-CG 3.53Å; P59-V101 CarbonylContact C-O 3.45Å; P59-V101 WeakPolarHBondContact CA-O 3.42Å; P59-V101 WeakPolarHBondContact CB-O 3.32Å
60L85Confident72.4Confident55 Ų5591.6 Ų91.629%0.28852%0.517SS..SBendtrans-61.5-35.1177.5-62.4174.7000111.7V101 Q108L60-V101 PolarHBondContact N-O 2.84Å; L60-Q108 HydrophobicContact CD2-CG 4.09Å
61R88.9Confident75.3Confident111 Ų11185.4 Ų85.442%0.41948%0.477SS..EExtended strand (participates in β ladder)trans-154.2149179-151.7165.6-161.7-157.711.7110.6P59 W63 S100 V101 T112 L115P59-R61 PolarHBondContact O-N 2.76Å; R61-W63 HydrophobicContact CB-CH2 4.07Å; R61-W63 HydrophobicContact CB-CZ3 4.2Å; R61-W63 VanDerWaalsContact CD-CH2 3.48Å; R61-W63 HydrophobicContact CG-CH2 3.75Å; R61-W63 HydrophobicContact CG-CZ2 3.92Å; R61-W63 HydrophobicContact CG-CZ3 4.18Å; R61-S100 WeakPolarHBondContact O-CA 3.49Å; R61-V101 HydrophobicContact CB-CB 4.28Å; R61-V101 HydrophobicContact CB-CG2 4.14Å; R61-V101 PolarHBondContact O-N 2.93Å; R61-T112 PolarHBondContact NH1-O 3.42Å; R61-L115 PolarHBondContact NH1-O 3.32Å
62Q93.4Very high78.5Confident132 Ų13280.1 Ų80.162%0.61744%0.444SS*.EExtended strand (participates in β ladder)trans-139.4149.1176.4-67.1-172.1-37.100112P59 I99P59-Q62 HydrophobicContact CB-CG 3.87Å; P59-Q62 VanDerWaalsContact CG-CD 3.41Å; P59-Q62 HydrophobicContact CG-CG 3.53Å; Q62-I99 CarbonylContact C-O 3.53Å; Q62-I99 WeakPolarHBondContact CA-O 3.46Å
63W95.8Very high81.5Confident48 Ų4871.7 Ų71.718%0.18241%0.405CS..EExtended strand (participates in β ladder)trans-129.9142.6168-61.9-96.6000110.1R61 L65 L98 I99 V101 L115 V117R61-W63 HydrophobicContact CB-CH2 4.07Å; R61-W63 HydrophobicContact CB-CZ3 4.2Å; R61-W63 VanDerWaalsContact CD-CH2 3.48Å; R61-W63 HydrophobicContact CG-CH2 3.75Å; R61-W63 HydrophobicContact CG-CZ2 3.92Å; R61-W63 HydrophobicContact CG-CZ3 4.18Å; W63-L65 HydrophobicContact CB-CD2 4.4Å; W63-L65 HydrophobicContact CB-CG 4.26Å; W63-L98 WeakPolarHBondContact O-CA 3.49Å; W63-I99 HydrophobicContact CB-CB 4.35Å; W63-I99 HydrophobicContact CE3-CB 4.02Å; W63-I99 HydrophobicContact CE3-CG2 3.8Å; W63-I99 HydrophobicContact CZ3-CG2 4.14Å; W63-I99 PolarHBondContact N-O 2.92Å; W63-I99 PolarHBondContact O-N 3.49Å; W63-V101 HydrophobicContact CH2-CG2 4.13Å; W63-V101 HydrophobicContact CZ3-CG2 3.52Å; W63-L115 HydrophobicContact CH2-CD2 3.46Å; W63-L115 VanDerWaalsContact CH2-CD2 3.46Å; W63-L115 HydrophobicContact CH2-CG 3.78Å; W63-L115 HydrophobicContact CZ3-CD2 3.88Å; W63-L115 HydrophobicContact CZ3-CG 4.48Å; W63-V117 HydrophobicContact CD2-CB 4.11Å; W63-V117 HydrophobicContact CD2-CG1 4.47Å; W63-V117 HydrophobicContact CD2-CG2 3.93Å; W63-V117 HydrophobicContact CE3-CG2 3.91Å; W63-V117 HydrophobicContact CG-CB 4.39Å; W63-V117 HydrophobicContact CG-CG1 4.38Å; W63-V117 HydrophobicContact CH2-CG2 3.81Å; W63-V117 HydrophobicContact CZ2-CB 4.27Å; W63-V117 HydrophobicContact CZ2-CG2 3.84Å; W63-V117 HydrophobicContact CZ3-CG2 3.84Å
64A96.3Very high84.5Confident69 Ų6968.7 Ų68.757%0.5738%0.382SS*.EExtended strand (participates in β ladder)trans-125.9103167.500000107.7L98A64-L98 HydrophobicContact CB-CD2 3.88Å
65L96.9Very high87.5Confident35 Ų3566.1 Ų66.118%0.18336%0.355CS..EExtended strand (participates in β ladder)trans-103.8141.1-173.1-57.1174.6000110.6W63 V67 R96 A97 I99 V117 L126W63-L65 HydrophobicContact CB-CD2 4.4Å; W63-L65 HydrophobicContact CB-CG 4.26Å; L65-V67 HydrophobicContact CB-CG1 3.92Å; L65-R96 VanDerWaalsContact O-CA 3.3Å; L65-R96 WeakPolarHBondContact O-CA 3.41Å; L65-R96 WeakPolarHBondContact O-CD 3.43Å; L65-A97 PolarHBondContact N-O 2.8Å; L65-A97 PolarHBondContact O-N 2.8Å; L65-I99 HydrophobicContact CD1-CD1 4.16Å; L65-V117 HydrophobicContact CD1-CG1 3.77Å; L65-L126 HydrophobicContact CD1-CD1 3.56Å; L65-L126 HydrophobicContact CD1-CD2 4.36Å
66D96.5Very high90.2Very high92 Ų9264 Ų6449%0.49233%0.33SS..EExtended strand (participates in β ladder)trans-79.3116.3163.4-78.8-65.2000108.9N95 R96 Y119D66-N95 WeakPolarHBondContact CA-O 3.49Å; D66-R96 IonicContact OD1-CZ 3.96Å; D66-R96 IonicContact OD1-NE 2.73Å; D66-R96 PolarHBondContact OD1-NE 2.89Å; D66-R96 IonicContact OD1-NH1 2.89Å; D66-R96 PolarHBondContact OD1-NH1 3.06Å; D66-R96 IonicContact OD1-NH2 2.77Å; D66-R96 PolarHBondContact OD1-NH2 2.91Å; D66-R96 IonicContact OD2-CZ 3.79Å; D66-R96 IonicContact OD2-NH1 3.33Å; D66-R96 PolarHBondContact OD2-NH1 3.04Å; D66-R96 IonicContact OD2-NH2 3.33Å; D66-R96 PolarHBondContact OD2-NH2 2.86Å; D66-Y119 VanDerWaalsContact O-CD1 3.29Å; D66-Y119 WeakPolarHBondContact O-CD1 3.35Å; D66-Y119 VanDerWaalsContact O-CE1 3.3Å; D66-Y119 WeakPolarHBondContact O-CE1 3.45Å
67V97.1Very high92.4Very high9 Ų955.9 Ų55.96%0.05529%0.292CS..  trans-131162.1-176-58.30000111.5L65 T71 N95 A97 Y119 P144L65-V67 HydrophobicContact CB-CG1 3.92Å; V67-T71 HydrophobicContact CB-CG2 4.4Å; V67-T71 HydrophobicContact CG2-CG2 4.24Å; V67-N95 PolarHBondContact N-O 3.03Å; V67-N95 CarbonylContact O-C 3.54Å; V67-N95 WeakPolarHBondContact O-CA 3.48Å; V67-N95 WeakPolarHBondContact O-CB 3.41Å; V67-A97 HydrophobicContact CG1-CB 3.9Å; V67-A97 HydrophobicContact CG2-CB 3.96Å; V67-Y119 HydrophobicContact CB-CD2 4.28Å; V67-Y119 HydrophobicContact CB-CE1 4.38Å; V67-Y119 HydrophobicContact CB-CE2 3.9Å; V67-Y119 HydrophobicContact CG1-CD1 4.18Å; V67-Y119 HydrophobicContact CG1-CD2 3.72Å; V67-Y119 HydrophobicContact CG1-CE1 4.33Å; V67-Y119 HydrophobicContact CG1-CE2 3.87Å; V67-Y119 HydrophobicContact CG1-CG 3.88Å; V67-P144 HydrophobicContact CG2-CG 3.72Å
68S95.8Very high93.8Very high19 Ų1953.6 Ų53.613%0.13327%0.274CS..  trans-66141.41701770000110.8F70 T71 Y119 Q124S68-F70 PolarHBondContact O-N 3.21Å; S68-F70 VanDerWaalsContact O-N 3.09Å; S68-F70 PolarHBondContact OG-N 3.33Å; S68-T71 VanDerWaalsContact O-CB 3.31Å; S68-T71 WeakPolarHBondContact O-CB 3.2Å; S68-T71 WeakPolarHBondContact O-CG2 3.42Å; S68-T71 PolarHBondContact O-N 2.89Å; S68-T71 VanDerWaalsContact O-N 3.12Å; S68-Y119 PolarHBondContact N-OH 3.34Å; S68-Q124 PolarHBondContact OG-OE1 3.1Å
69P94.5Very high94.7Very high44 Ų4449.2 Ų49.229%0.28624%0.243SC..THydrogen-bonded Turntrans-58-19.9170.4-25.535.2000114.6E93 A94 P144P69-E93 WeakPolarHBondContact CG-O 3.49Å; P69-A94 VanDerWaalsContact CA-O 3.25Å; P69-A94 WeakPolarHBondContact CA-O 3.18Å; P69-A94 HydrophobicContact CB-CB 4.33Å; P69-P144 WeakPolarHBondContact O-CB 3.4Å
70F94.7Very high95.4Very high138 Ų13848.5 Ų48.561%0.60524%0.237SC*.THydrogen-bonded Turntrans-11435.1178.8-55.6-80.3000111.8S68 K146S68-F70 PolarHBondContact O-N 3.21Å; S68-F70 VanDerWaalsContact O-N 3.09Å; S68-F70 PolarHBondContact OG-N 3.33Å; F70-K146 HydrophobicContact CD1-CB 3.83Å; F70-K146 HydrophobicContact CD1-CG 4.34Å; F70-K146 HydrophobicContact CE1-CB 4.09Å; F70-K146 HydrophobicContact CE1-CG 4.1Å
71T96.1Very high96Very high0 Ų046 Ų460%022%0.224CC..  trans-66.5159.6-178.4-172.60000112.9V67 S68 Q124 P144 T147 N148V67-T71 HydrophobicContact CB-CG2 4.4Å; V67-T71 HydrophobicContact CG2-CG2 4.24Å; S68-T71 VanDerWaalsContact O-CB 3.31Å; S68-T71 WeakPolarHBondContact O-CB 3.2Å; S68-T71 WeakPolarHBondContact O-CG2 3.42Å; S68-T71 PolarHBondContact O-N 2.89Å; S68-T71 VanDerWaalsContact O-N 3.12Å; T71-Q124 WeakPolarHBondContact CA-O 3.38Å; T71-Q124 WeakPolarHBondContact CB-O 3.5Å; T71-Q124 PolarHBondContact OG1-O 2.79Å; T71-P144 HydrophobicContact CG2-CG 4.29Å; T71-T147 HydrophobicContact CG2-CG2 3.9Å; T71-T147 WeakPolarHBondContact CG2-OG1 3.34Å; T71-T147 VanDerWaalsContact O-CA 3.25Å; T71-T147 WeakPolarHBondContact O-CA 3.48Å; T71-N148 PolarHBondContact O-N 3.36Å
72T98.3Very high96.4Very high22 Ų2241.1 Ų41.114%0.13521%0.207CC..EExtended strand (participates in β ladder)trans-112.3129.5169.9-66.10000109.9R74 Q124 E125 L126 N148 F150T72-R74 HydrophobicContact CG2-CG 4.39Å; T72-Q124 PolarHBondContact N-O 3.3Å; T72-E125 CarbonylContact O-C 3.51Å; T72-E125 VanDerWaalsContact O-CA 3.3Å; T72-E125 WeakPolarHBondContact O-CA 2.9Å; T72-L126 PolarHBondContact O-N 2.89Å; T72-N148 HydrophobicContact CG2-CB 4.22Å; T72-F150 HydrophobicContact CG2-CD2 3.56Å; T72-F150 HydrophobicContact CG2-CE2 3.52Å
73V98.6Very high96.7Very high0 Ų034.9 Ų34.90%018%0.178CC..EExtended strand (participates in β ladder)trans-101.5128.6175.31740000109.8L126 I128 M141 T147 N148 L149 F150V73-L126 CarbonylContact C-O 3.31Å; V73-L126 WeakPolarHBondContact CA-O 3.34Å; V73-L126 HydrophobicContact CG2-CB 4.1Å; V73-L126 HydrophobicContact CG2-CD2 4.13Å; V73-L126 HydrophobicContact CG2-CG 4.33Å; V73-I128 HydrophobicContact CG1-CD1 4.29Å; V73-M141 HydrophobicContact CB-CE 4.43Å; V73-M141 HydrophobicContact CG1-CE 4.28Å; V73-M141 HydrophobicContact CG1-SD 4.1Å; V73-M141 HydrophobicContact CG2-CE 3.32Å; V73-M141 HydrophobicContact CG2-SD 4.15Å; V73-T147 HydrophobicContact CB-CG2 4.08Å; V73-T147 HydrophobicContact CG2-CG2 3.39Å; V73-N148 PolarHBondContact N-O 2.95Å; V73-L149 HydrophobicContact CB-CD2 4.04Å; V73-L149 HydrophobicContact CG2-CD2 4.45Å; V73-F150 PolarHBondContact O-N 2.91Å
74R98.6Very high96.8Very high99 Ų9937.4 Ų37.437%0.37419%0.187SC..EExtended strand (participates in β ladder)trans-118.5114.7170-56.7179.2176.9-80.6-4.4108.9T72 E125 L126 L127 I128 F150T72-R74 HydrophobicContact CG2-CG 4.39Å; R74-E125 IonicContact CZ-OE1 3.52Å; R74-E125 VanDerWaalsContact CZ-OE1 3.3Å; R74-E125 VanDerWaalsContact NE-CD 3.28Å; R74-E125 IonicContact NE-OE1 2.66Å; R74-E125 PolarHBondContact NE-OE1 3.34Å; R74-E125 IonicContact NE-OE2 3.3Å; R74-E125 PolarHBondContact NE-OE2 3.37Å; R74-E125 IonicContact NH2-OE1 4Å; R74-E125 PolarHBondContact NH2-OE1 3.02Å; R74-L126 PolarHBondContact N-O 3.19Å; R74-L127 HydrophobicContact CB-CD2 3.75Å; R74-L127 HydrophobicContact CG-CD2 4.21Å; R74-L127 WeakPolarHBondContact O-CA 3.29Å; R74-I128 PolarHBondContact O-N 2.87Å; R74-F150 CarbonylContact C-O 3.6Å; R74-F150 VanDerWaalsContact CA-O 3.3Å; R74-F150 WeakPolarHBondContact CA-O 3.48Å; R74-F150 HydrophobicContact CG-CB 4.27Å; R74-F150 HydrophobicContact CG-CD2 4.47Å
75A98.1Very high96.9Very high1 Ų135.5 Ų35.51%0.00817%0.169CC..EExtended strand (participates in β ladder)trans-116.7128.5-179.600000110.7L77 I81 I128 F150 I151 T152A75-L77 HydrophobicContact CB-CD1 4.03Å; A75-L77 HydrophobicContact CB-CD2 4.33Å; A75-L77 HydrophobicContact CB-CG 4.07Å; A75-I81 HydrophobicContact CB-CD1 4.24Å; A75-I128 CarbonylContact C-O 3.1Å; A75-I128 VanDerWaalsContact CA-O 3.24Å; A75-I128 WeakPolarHBondContact CA-O 3.44Å; A75-I128 HydrophobicContact CB-CB 4.2Å; A75-F150 PolarHBondContact N-O 3.34Å; A75-I151 HydrophobicContact CB-CG1 4.28Å; A75-I151 HydrophobicContact CB-CG2 4.31Å; A75-T152 PolarHBondContact O-N 2.73Å
76R97.6Very high96.8Very high113 Ų11334.2 Ų34.243%0.42616%0.162SC..EExtended strand (participates in β ladder)trans-124.6108.5170.9-68.2-168.769-134.6-11.2109.2I128 S129 A130 E131 T152 E154R76-I128 PolarHBondContact N-O 2.92Å; R76-S129 CarbonylContact O-C 3.52Å; R76-S129 WeakPolarHBondContact O-CA 3.39Å; R76-A130 PolarHBondContact O-N 2.83Å; R76-E131 HydrophobicContact CB-CG 4.24Å; R76-E131 IonicContact CZ-OE1 3.12Å; R76-E131 IonicContact CZ-OE2 2.92Å; R76-E131 IonicContact NE-OE1 3.13Å; R76-E131 IonicContact NH1-OE1 2.72Å; R76-E131 PolarHBondContact NH1-OE1 2.87Å; R76-E131 IonicContact NH1-OE2 3.56Å; R76-E131 IonicContact NH2-OE1 2.72Å; R76-E131 PolarHBondContact NH2-OE1 3.35Å; R76-E131 IonicContact NH2-OE2 3.49Å; R76-E131 PolarHBondContact NH2-OE2 2.87Å; R76-T152 WeakPolarHBondContact CA-O 3.33Å; R76-E154 IonicContact CZ-OE1 2.77Å; R76-E154 IonicContact NH2-OE1 2.78Å; R76-E154 PolarHBondContact NH2-OE1 2.86Å
77L96Very high96.7Very high0 Ų033.8 Ų33.80%016%0.16CC..EExtended strand (participates in β ladder)trans-136.2143.9-162.2-45.8171.9000112A75 I81 I128 A130 I139 T152 T153 E154A75-L77 HydrophobicContact CB-CD1 4.03Å; A75-L77 HydrophobicContact CB-CD2 4.33Å; A75-L77 HydrophobicContact CB-CG 4.07Å; L77-I81 HydrophobicContact CD1-CB 3.55Å; L77-I81 HydrophobicContact CD1-CD1 3.78Å; L77-I81 HydrophobicContact CD1-CG1 4.22Å; L77-I81 HydrophobicContact CD1-CG2 3.63Å; L77-I128 HydrophobicContact CD2-CB 4.41Å; L77-I128 HydrophobicContact CD2-CG2 3.73Å; L77-A130 HydrophobicContact CB-CB 4.44Å; L77-A130 HydrophobicContact CD2-CB 3.58Å; L77-I139 HydrophobicContact CD1-CD1 4.31Å; L77-I139 HydrophobicContact CD2-CD1 3.81Å; L77-T152 PolarHBondContact N-O 3.31Å; L77-T153 HydrophobicContact CB-CG2 4.32Å; L77-T153 CarbonylContact O-C 3.59Å; L77-T153 WeakPolarHBondContact O-CA 3.23Å; L77-E154 PolarHBondContact O-N 3.33Å
78G93.4Very high96.4Very high8 Ų837.3 Ų37.38%0.08218%0.181CC..SBendtrans-91-2.9163.300000113.5A130 V133G78-A130 PolarHBondContact N-O 3.38Å; G78-V133 CarbonylContact C-O 3.56Å; G78-V133 VanDerWaalsContact CA-O 3.23Å; G78-V133 WeakPolarHBondContact CA-O 3.47Å; G78-V133 VanDerWaalsContact O-O 3.13Å
79C94.1Very high96.1Very high0 Ų045 Ų450%022%0.215CC..SBendtrans-117.9180-170.263.50000113V133 N134 V137 G157C79-V133 HydrophobicContact CB-CB 4.17Å; C79-V133 HydrophobicContact CB-CG1 3.87Å; C79-V133 PolarHBondContact N-O 2.9Å; C79-N134 WeakPolarHBondContact CB-O 3.22Å; C79-V137 HydrophobicContact CB-CB 4.12Å; C79-V137 WeakPolarHBondContact CB-O 3.35Å; C79-G157 VanDerWaalsContact O-CA 3.29Å; C79-G157 WeakPolarHBondContact O-CA 3.35Å
80N97.1Very high95.9Very high24 Ų2446 Ų4613%0.12823%0.226CC..EExtended strand (participates in β ladder)trans-78.1148.7178.7-50.6-53.2000111.2S135 V137 T138 I139 N158N80-S135 PolarHBondContact ND2-O 2.86Å; N80-V137 PolarHBondContact N-O 2.86Å; N80-V137 PolarHBondContact ND2-O 2.95Å; N80-T138 HydrophobicContact CB-CG2 4.13Å; N80-T138 PolarHBondContact ND2-OG1 2.88Å; N80-T138 WeakPolarHBondContact O-CA 3.4Å; N80-I139 PolarHBondContact O-N 3.45Å; N80-N158 CarbonylContact C-O 3.59Å; N80-N158 VanDerWaalsContact CA-O 3.22Å; N80-N158 WeakPolarHBondContact CA-O 3.45Å; N80-N158 WeakPolarHBondContact OD1-CB 3.29Å; N80-N158 PolarHBondContact OD1-N 2.73Å; N80-N158 PolarHBondContact OD1-ND2 2.96Å
81I98Very high95.7Very high1 Ų143.5 Ų43.51%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-135.5138.1170.5-175.5166.7000111.8A75 L77 V83 I139 I151 N158 V159 Q160A75-I81 HydrophobicContact CB-CD1 4.24Å; L77-I81 HydrophobicContact CD1-CB 3.55Å; L77-I81 HydrophobicContact CD1-CD1 3.78Å; L77-I81 HydrophobicContact CD1-CG1 4.22Å; L77-I81 HydrophobicContact CD1-CG2 3.63Å; I81-V83 HydrophobicContact CD1-CG2 3.94Å; I81-V83 HydrophobicContact CG1-CG2 3.94Å; I81-I139 CarbonylContact C-O 3.54Å; I81-I139 VanDerWaalsContact CA-O 3.25Å; I81-I139 WeakPolarHBondContact CA-O 3.43Å; I81-I139 HydrophobicContact CB-CB 4.44Å; I81-I139 HydrophobicContact CD1-CG2 4.45Å; I81-I139 HydrophobicContact CG1-CB 4.3Å; I81-I139 HydrophobicContact CG1-CG2 4.39Å; I81-I151 HydrophobicContact CG2-CG2 3.78Å; I81-N158 PolarHBondContact N-O 2.87Å; I81-V159 HydrophobicContact CG2-CB 4.38Å; I81-V159 HydrophobicContact CG2-CG1 4.18Å; I81-V159 HydrophobicContact CG2-CG2 4.02Å; I81-V159 CarbonylContact O-C 3.34Å; I81-Q160 PolarHBondContact O-N 3.45Å
82C98.4Very high95.4Very high10 Ų1047.6 Ų47.67%0.06824%0.242CC..EExtended strand (participates in β ladder)trans-122.7116.6170.1-179.60000109.9I139 E140 M141 Q160C82-I139 PolarHBondContact N-O 2.8Å; C82-E140 HydrophobicContact CB-CG 4.49Å; C82-E140 WeakPolarHBondContact O-CA 3.41Å; C82-M141 PolarHBondContact O-N 3.03Å; C82-Q160 CarbonylContact C-O 3.48Å; C82-Q160 WeakPolarHBondContact CA-O 3.3Å; C82-Q160 HydrophobicContact CB-CB 4.17Å
83V98.6Very high95Very high0 Ų052.7 Ų52.70%027%0.265CS..EExtended strand (participates in β ladder)trans-106.9128.4176.1-170.90000109.7I81 M141 A143 L149 I151 Q160 K162 M164I81-V83 HydrophobicContact CD1-CG2 3.94Å; I81-V83 HydrophobicContact CG1-CG2 3.94Å; V83-M141 WeakPolarHBondContact CA-O 3.49Å; V83-M141 HydrophobicContact CG1-SD 4.48Å; V83-M141 HydrophobicContact CG2-CB 4.39Å; V83-M141 HydrophobicContact CG2-SD 4.49Å; V83-A143 HydrophobicContact CG1-CB 4.34Å; V83-L149 HydrophobicContact CG1-CD1 4.3Å; V83-L149 HydrophobicContact CG1-CD2 4.03Å; V83-I151 HydrophobicContact CG2-CD1 3.91Å; V83-Q160 PolarHBondContact N-O 3.23Å; V83-K162 PolarHBondContact O-N 3.49Å; V83-M164 HydrophobicContact CG1-CG 4.44Å; V83-M164 HydrophobicContact CG1-SD 4.33Å
84R98.2Very high94.7Very high102 Ų10253.8 Ų53.839%0.38527%0.274SS..EExtended strand (participates in β ladder)trans-137.9159.1175.964.1-174.217283.52.8110.5M141 D142 A143 K162R84-M141 PolarHBondContact N-O 2.77Å; R84-D142 WeakPolarHBondContact CD-OD1 3.48Å; R84-D142 WeakPolarHBondContact CG-OD1 3.35Å; R84-D142 IonicContact CZ-OD1 3.52Å; R84-D142 IonicContact CZ-OD2 3.97Å; R84-D142 IonicContact NE-OD1 3.11Å; R84-D142 PolarHBondContact NE-OD1 2.86Å; R84-D142 IonicContact NH1-OD1 2.74Å; R84-D142 PolarHBondContact NH1-OD1 2.88Å; R84-D142 IonicContact NH1-OD2 3.16Å; R84-D142 PolarHBondContact NH1-OD2 3.11Å; R84-D142 VanDerWaalsContact NH1-OD2 3.11Å; R84-D142 IonicContact NH2-OD1 2.7Å; R84-D142 PolarHBondContact NH2-OD1 2.71Å; R84-D142 VanDerWaalsContact NH2-OD1 3.1Å; R84-D142 IonicContact NH2-OD2 3.4Å; R84-D142 PolarHBondContact NH2-OD2 2.79Å; R84-D142 WeakPolarHBondContact O-CA 3.25Å; R84-A143 PolarHBondContact O-N 3.36Å; R84-K162 HydrophobicContact CB-CB 4.34Å
85P97.8Very high94.5Very high29 Ų2951.9 Ų51.919%0.18827%0.271CS..EExtended strand (participates in β ladder)trans-66.4142.6177.626.8-36.3000110A143 I145 K162 K163 M164P85-A143 CarbonylContact C-O 3.55Å; P85-A143 WeakPolarHBondContact CA-O 3.12Å; P85-I145 HydrophobicContact CB-CB 4.16Å; P85-I145 HydrophobicContact CB-CD1 4.47Å; P85-I145 HydrophobicContact CB-CG1 4.1Å; P85-K162 WeakPolarHBondContact CD-O 3.46Å; P85-K163 HydrophobicContact CG-CB 4.02Å; P85-M164 HydrophobicContact CB-SD 4.09Å
86L96.4Very high94.5Very high8 Ų855.4 Ų55.44%0.04228%0.284CS..  trans-58142.6166.5-170.772.6000109.9V88 Y91 R96 L98 D142 A143L86-V88 PolarHBondContact O-N 2.93Å; L86-Y91 HydrophobicContact CD1-CD2 3.65Å; L86-Y91 HydrophobicContact CD1-CE2 3.97Å; L86-Y91 HydrophobicContact CD1-CG 4.19Å; L86-Y91 HydrophobicContact CD2-CD1 4.47Å; L86-Y91 HydrophobicContact CD2-CD2 3.96Å; L86-Y91 HydrophobicContact CD2-CG 3.7Å; L86-Y91 HydrophobicContact CG-CD2 3.69Å; L86-Y91 HydrophobicContact CG-CE2 4.49Å; L86-Y91 HydrophobicContact CG-CG 3.98Å; L86-R96 HydrophobicContact CD2-CB 3.93Å; L86-R96 WeakPolarHBondContact CD2-O 3.25Å; L86-L98 HydrophobicContact CD1-CD1 3.85Å; L86-L98 HydrophobicContact CD1-CG 3.93Å; L86-D142 HydrophobicContact CD1-CB 3.89Å; L86-A143 WeakPolarHBondContact CB-O 3.28Å; L86-A143 PolarHBondContact N-O 3Å
87D93.5Very high94.5Very high82 Ų8250 Ų5044%0.43926%0.264SS..  trans-65109.9174.7-179.98.4000110.5H89 A90 Y91D87-H89 PolarHBondContact O-N 2.91Å; D87-H89 WeakPolarHBondContact OD1-CB 3.46Å; D87-H89 IonicContact OD1-CD2 3.67Å; D87-H89 IonicContact OD1-CG 3.01Å; D87-H89 PolarHBondContact OD1-N 3.1Å; D87-A90 HydrophobicContact CB-CB 4.1Å; D87-A90 PolarHBondContact O-N 2.82Å; D87-Y91 PolarHBondContact O-N 2.84Å
88V89.8Confident94.5Very high83 Ų8352 Ų5250%0.50327%0.274SS..THydrogen-bonded Turntrans-65.5-26.1-178.8-176.30000111.6L86 Y91 S92L86-V88 PolarHBondContact O-N 2.93Å; V88-Y91 CarbonylContact O-C 3.47Å; V88-S92 WeakPolarHBondContact O-CA 3.32Å; V88-S92 PolarHBondContact O-N 2.82Å
89H89.6Confident94.7Very high182 Ų18251.8 Ų51.884%0.84327%0.271SS*.THydrogen-bonded Turntrans-75.9-37.3177.8-65.1-61.6000112.1D87D87-H89 PolarHBondContact O-N 2.91Å; D87-H89 WeakPolarHBondContact OD1-CB 3.46Å; D87-H89 IonicContact OD1-CD2 3.67Å; D87-H89 IonicContact OD1-CG 3.01Å; D87-H89 PolarHBondContact OD1-N 3.1Å
90A90.7Very high94.8Very high63 Ų6352.7 Ų52.752%0.52128%0.278SS..THydrogen-bonded Turntrans-77.8-29.7174.800000112.6D87D87-A90 HydrophobicContact CB-CB 4.1Å; D87-A90 PolarHBondContact O-N 2.82Å
91Y91.5Very high94.6Very high86 Ų8651.7 Ų51.734%0.33727%0.272SS..  trans-134.475.7-174.6-58.8-84.3000111.6L86 D87 V88 E93 A94 R96 L98L86-Y91 HydrophobicContact CD1-CD2 3.65Å; L86-Y91 HydrophobicContact CD1-CE2 3.97Å; L86-Y91 HydrophobicContact CD1-CG 4.19Å; L86-Y91 HydrophobicContact CD2-CD1 4.47Å; L86-Y91 HydrophobicContact CD2-CD2 3.96Å; L86-Y91 HydrophobicContact CD2-CG 3.7Å; L86-Y91 HydrophobicContact CG-CD2 3.69Å; L86-Y91 HydrophobicContact CG-CE2 4.49Å; L86-Y91 HydrophobicContact CG-CG 3.98Å; D87-Y91 PolarHBondContact O-N 2.84Å; V88-Y91 CarbonylContact O-C 3.47Å; Y91-E93 VanDerWaalsContact C-N 3.25Å; Y91-E93 PolarHBondContact O-N 3.06Å; Y91-A94 PolarHBondContact O-N 2.78Å; Y91-A94 VanDerWaalsContact O-N 3.1Å; Y91-R96 HydrophobicContact CD1-CB 4.22Å; Y91-R96 HydrophobicContact CD1-CG 3.83Å; Y91-R96 HydrophobicContact CE1-CG 4.11Å; Y91-L98 HydrophobicContact CE2-CD1 4.01Å
92S90.1Very high94.3Very high87 Ų8753.8 Ų53.861%0.60828%0.282SS*.THydrogen-bonded Turntrans-58.2-33.6-175.859.40000114.3V88 A94V88-S92 WeakPolarHBondContact O-CA 3.32Å; V88-S92 PolarHBondContact O-N 2.82Å; S92-A94 PolarHBondContact O-N 2.9Å
93E89.9Confident93.7Very high128 Ų12854.3 Ų54.360%0.59829%0.289SS*.THydrogen-bonded Turntrans-77.6-9.8-177.4-57.1-49.6117.500113.4P69 Y91 N95P69-E93 WeakPolarHBondContact CG-O 3.49Å; Y91-E93 VanDerWaalsContact C-N 3.25Å; Y91-E93 PolarHBondContact O-N 3.06Å; E93-N95 HydrophobicContact CB-CB 4.32Å; E93-N95 PolarHBondContact O-N 2.92Å
94A92.1Very high92.7Very high24 Ų2457 Ų5720%0.19831%0.306CS..  trans48.934.4-176.900000113.6P69 Y91 S92 P144P69-A94 VanDerWaalsContact CA-O 3.25Å; P69-A94 WeakPolarHBondContact CA-O 3.18Å; P69-A94 HydrophobicContact CB-CB 4.33Å; Y91-A94 PolarHBondContact O-N 2.78Å; Y91-A94 VanDerWaalsContact O-N 3.1Å; S92-A94 PolarHBondContact O-N 2.9Å; A94-P144 HydrophobicContact CB-CB 4.36Å; A94-P144 VanDerWaalsContact O-CB 3.28Å; A94-P144 WeakPolarHBondContact O-CB 3.3Å; A94-P144 WeakPolarHBondContact O-CG 3.29Å
95N94.2Very high91.1Very high58 Ų5857.2 Ų57.231%0.3132%0.316SS..  trans-109.123.2-174.368.9-19.2000113.1D66 V67 E93D66-N95 WeakPolarHBondContact CA-O 3.49Å; V67-N95 PolarHBondContact N-O 3.03Å; V67-N95 CarbonylContact O-C 3.54Å; V67-N95 WeakPolarHBondContact O-CA 3.48Å; V67-N95 WeakPolarHBondContact O-CB 3.41Å; E93-N95 HydrophobicContact CB-CB 4.32Å; E93-N95 PolarHBondContact O-N 2.92Å
96R96.7Very high89.1Confident76 Ų7660.3 Ų60.329%0.28734%0.338SS..EExtended strand (participates in β ladder)trans-125.5142.7-179.2-65.6-69.3-173.8-175.3-14.7110.8L65 D66 L86 Y91 P144L65-R96 VanDerWaalsContact O-CA 3.3Å; L65-R96 WeakPolarHBondContact O-CA 3.41Å; L65-R96 WeakPolarHBondContact O-CD 3.43Å; D66-R96 IonicContact OD1-CZ 3.96Å; D66-R96 IonicContact OD1-NE 2.73Å; D66-R96 PolarHBondContact OD1-NE 2.89Å; D66-R96 IonicContact OD1-NH1 2.89Å; D66-R96 PolarHBondContact OD1-NH1 3.06Å; D66-R96 IonicContact OD1-NH2 2.77Å; D66-R96 PolarHBondContact OD1-NH2 2.91Å; D66-R96 IonicContact OD2-CZ 3.79Å; D66-R96 IonicContact OD2-NH1 3.33Å; D66-R96 PolarHBondContact OD2-NH1 3.04Å; D66-R96 IonicContact OD2-NH2 3.33Å; D66-R96 PolarHBondContact OD2-NH2 2.86Å; L86-R96 HydrophobicContact CD2-CB 3.93Å; L86-R96 WeakPolarHBondContact CD2-O 3.25Å; Y91-R96 HydrophobicContact CD1-CB 4.22Å; Y91-R96 HydrophobicContact CD1-CG 3.83Å; Y91-R96 HydrophobicContact CE1-CG 4.11Å; R96-P144 VanDerWaalsContact O-CD 3.32Å; R96-P144 WeakPolarHBondContact O-CD 3.36Å
97A97.6Very high87.1Confident0 Ų063.7 Ų63.70%036%0.356CS..EExtended strand (participates in β ladder)trans-119.4122.9162.600000108.4L65 V67 L126 M141 D142L65-A97 PolarHBondContact N-O 2.8Å; L65-A97 PolarHBondContact O-N 2.8Å; V67-A97 HydrophobicContact CG1-CB 3.9Å; V67-A97 HydrophobicContact CG2-CB 3.96Å; A97-L126 HydrophobicContact CB-CD2 3.86Å; A97-M141 HydrophobicContact CB-CE 4.24Å; A97-D142 CarbonylContact C-O 3.55Å; A97-D142 WeakPolarHBondContact CA-O 3.47Å
98L97.7Very high85.3Confident42 Ų4266.5 Ų66.522%0.2237%0.366CS..EExtended strand (participates in β ladder)trans-105.6126175.9-46.8176000107.9W63 A64 L86 Y91 M141 D142W63-L98 WeakPolarHBondContact O-CA 3.49Å; A64-L98 HydrophobicContact CB-CD2 3.88Å; L86-L98 HydrophobicContact CD1-CD1 3.85Å; L86-L98 HydrophobicContact CD1-CG 3.93Å; Y91-L98 HydrophobicContact CE2-CD1 4.01Å; L98-M141 CarbonylContact O-C 3.48Å; L98-M141 WeakPolarHBondContact O-CA 3.25Å; L98-D142 HydrophobicContact CB-CB 4.13Å; L98-D142 HydrophobicContact CG-CB 4.49Å; L98-D142 PolarHBondContact N-O 2.96Å; L98-D142 PolarHBondContact O-N 2.79Å
99I97.5Very high83.5Confident3 Ų365.7 Ų65.72%0.01537%0.374CS..EExtended strand (participates in β ladder)trans-126.1128.3-178.8-58.6159.2000107.4Q62 W63 L65 V117 L126 I128 I139 E140 M141Q62-I99 CarbonylContact C-O 3.53Å; Q62-I99 WeakPolarHBondContact CA-O 3.46Å; W63-I99 HydrophobicContact CB-CB 4.35Å; W63-I99 HydrophobicContact CE3-CB 4.02Å; W63-I99 HydrophobicContact CE3-CG2 3.8Å; W63-I99 HydrophobicContact CZ3-CG2 4.14Å; W63-I99 PolarHBondContact N-O 2.92Å; W63-I99 PolarHBondContact O-N 3.49Å; L65-I99 HydrophobicContact CD1-CD1 4.16Å; I99-V117 HydrophobicContact CD1-CG1 3.47Å; I99-V117 VanDerWaalsContact CD1-CG1 3.47Å; I99-L126 HydrophobicContact CD1-CD1 4.47Å; I99-L126 HydrophobicContact CD1-CD2 4.19Å; I99-I128 HydrophobicContact CD1-CD1 4.14Å; I99-I139 HydrophobicContact CG2-CG2 3.77Å; I99-E140 CarbonylContact C-O 3.5Å; I99-E140 WeakPolarHBondContact CA-O 3.38Å; I99-M141 HydrophobicContact CG1-CB 4.48Å; I99-M141 HydrophobicContact CG1-CG 4.08Å
100S95.5Very high81.9Confident19 Ų1962.9 Ų62.913%0.13337%0.366CS..EExtended strand (participates in β ladder)trans-128.9143.7175.448.50000110.9R61 H102 I139 E140R61-S100 WeakPolarHBondContact O-CA 3.49Å; S100-H102 PolarHBondContact OG-NE2 3.03Å; S100-I139 CarbonylContact O-C 3.58Å; S100-I139 WeakPolarHBondContact O-CA 3.32Å; S100-E140 PolarHBondContact N-O 2.89Å; S100-E140 PolarHBondContact O-N 3.46Å
101V93.9Very high80.5Confident3 Ų363.9 Ų63.92%0.01836%0.356CS..EExtended strand (participates in β ladder)trans-115.9126.9-178-173.40000108.2P59 L60 R61 W63 L115 V137P59-V101 CarbonylContact C-O 3.45Å; P59-V101 WeakPolarHBondContact CA-O 3.42Å; P59-V101 WeakPolarHBondContact CB-O 3.32Å; L60-V101 PolarHBondContact N-O 2.84Å; R61-V101 HydrophobicContact CB-CB 4.28Å; R61-V101 HydrophobicContact CB-CG2 4.14Å; R61-V101 PolarHBondContact O-N 2.93Å; W63-V101 HydrophobicContact CH2-CG2 4.13Å; W63-V101 HydrophobicContact CZ3-CG2 3.52Å; V101-L115 HydrophobicContact CB-CD2 4.37Å; V101-L115 HydrophobicContact CG1-CD2 4.18Å; V101-L115 HydrophobicContact CG2-CD2 3.34Å; V101-V137 HydrophobicContact CG1-CG1 3.47Å; V101-V137 VanDerWaalsContact CG1-CG1 3.47Å
102H90.9Very high79.1Confident44 Ų4461.4 Ų61.420%0.20435%0.35CS..EExtended strand (participates in β ladder)trans-121.3141.9179.4-55.1-81.9000109.2S100 V137 T138 E140S100-H102 PolarHBondContact OG-NE2 3.03Å; H102-V137 CarbonylContact O-C 3.57Å; H102-V137 WeakPolarHBondContact O-CA 3.46Å; H102-V137 WeakPolarHBondContact O-CG1 3.36Å; H102-T138 PolarHBondContact N-O 2.93Å; H102-T138 PolarHBondContact O-N 2.8Å; H102-E140 IonicContact CD2-OE2 2.87Å; H102-E140 IonicContact CE1-OE2 3.31Å; H102-E140 IonicContact NE2-OE2 2.92Å; H102-E140 PolarHBondContact NE2-OE2 3.02Å
103G85.6Confident78Confident22 Ų2264.9 Ų64.923%0.22736%0.357CS..  trans-164.5174.5179.700000110.6
104P78.6Confident77.6Confident55 Ų5561.3 Ų61.336%0.35734%0.342SS..  trans-62.4137.7178.925.5-32.5000111.2S106P104-S106 PolarHBondContact O-N 3.01Å
105D64.4Low77.5Confident108 Ų10860.5 Ų60.558%0.57834%0.335SS*.G310 helixtrans-61.9-14.6-177.3-75.1-36.3000114.2D107D105-D107 PolarHBondContact O-N 3.34Å
106S55.9Low77.4Confident93 Ų9363.3 Ų63.365%0.6535%0.345SS*.G310 helixtrans-76.2-17.5-169.351.30000115.5P104P104-S106 PolarHBondContact O-N 3.01Å
107D54.4Low77.4Confident80 Ų8060.8 Ų60.843%0.42834%0.339SS..G310 helixtrans-13653-171-64.7-50.1000112.1D105 G109 Y111D105-D107 PolarHBondContact O-N 3.34Å; D107-G109 PolarHBondContact O-N 3.01Å; D107-Y111 HydrophobicContact CB-CD2 4.15Å; D107-Y111 HydrophobicContact CB-CE2 3.5Å; D107-Y111 VanDerWaalsContact CB-CE2 3.5Å
108Q54.3Low77.3Confident141 Ų14166.3 Ų66.366%0.65936%0.364SS*.THydrogen-bonded Turntrans-60-3.1179.2-79-177.911.800115.1L60L60-Q108 HydrophobicContact CD2-CG 4.09Å
109G51.6Low77.3Confident65 Ų6566.8 Ų66.867%0.6736%0.363SS*.THydrogen-bonded Turntrans-104.3-27.6-164.500000118.4D107D107-G109 PolarHBondContact O-N 3.01Å
110D57.6Low77.3Confident124 Ų12469.3 Ų69.366%0.66338%0.377SS*.THydrogen-bonded Turntrans-123.7-27.6-159.6-145.316.3000115.2
111Y60.9Low77.1Confident83 Ų8370.7 Ų70.733%0.32540%0.395SS..THydrogen-bonded Turntrans-83-16.7-174.6-53.7-61.5000114.9D107D107-Y111 HydrophobicContact CB-CD2 4.15Å; D107-Y111 HydrophobicContact CB-CE2 3.5Å; D107-Y111 VanDerWaalsContact CB-CE2 3.5Å
112T61.6Low77.1Confident34 Ų3479.5 Ų79.521%0.20944%0.435CS..THydrogen-bonded Turntrans-84.1-15-172.244.10000114.4R61R61-T112 PolarHBondContact NH1-O 3.42Å
113E66.8Low77.3Confident160 Ų16080.1 Ų80.175%0.74845%0.445SS*.THydrogen-bonded Turntrans-74.3-32.5176.8-64.2-140.7150.300112.2L115E113-L115 PolarHBondContact O-N 2.64Å
114D81.3Confident77.8Confident54 Ų5483 Ų8329%0.28945%0.452SS..THydrogen-bonded Turntrans-80.51177.6-73.6-50.9000113.5K132 V133D114-K132 HydrophobicContact CB-CB 4.22Å; D114-K132 WeakPolarHBondContact OD1-CD 3Å; D114-K132 IonicContact OD1-NZ 2.93Å; D114-K132 PolarHBondContact OD1-NZ 2.89Å; D114-V133 HydrophobicContact CB-CG2 4.45Å
115L90.2Very high78.7Confident7 Ų782.7 Ų82.74%0.03745%0.446CS..  trans-99.2112.4177.1178.462.4000111.1R61 W63 V101 E113 I128 S129 A130 I139R61-L115 PolarHBondContact NH1-O 3.32Å; W63-L115 HydrophobicContact CH2-CD2 3.46Å; W63-L115 VanDerWaalsContact CH2-CD2 3.46Å; W63-L115 HydrophobicContact CH2-CG 3.78Å; W63-L115 HydrophobicContact CZ3-CD2 3.88Å; W63-L115 HydrophobicContact CZ3-CG 4.48Å; V101-L115 HydrophobicContact CB-CD2 4.37Å; V101-L115 HydrophobicContact CG1-CD2 4.18Å; V101-L115 HydrophobicContact CG2-CD2 3.34Å; E113-L115 PolarHBondContact O-N 2.64Å; L115-I128 HydrophobicContact CD1-CG2 4.23Å; L115-S129 WeakPolarHBondContact CA-O 3.4Å; L115-A130 HydrophobicContact CD1-CB 3.56Å; L115-I139 HydrophobicContact CD1-CD1 3.84Å
116H92.6Very high80.3Confident116 Ų11677.6 Ų77.654%0.53742%0.419SS..EExtended strand (participates in β ladder)trans-114.1128.6179-59.3-70.3000111.1I128 S129H116-I128 CarbonylContact O-C 3.6Å; H116-I128 WeakPolarHBondContact O-CA 3.32Å; H116-S129 PolarHBondContact N-O 2.95Å; H116-S129 PolarHBondContact O-N 2.67Å
117V96Very high82.3Confident24 Ų2476.3 Ų76.315%0.14540%0.404CS..EExtended strand (participates in β ladder)trans-125.4121.7174.8-178.80000107.8W63 L65 I99 L126 L127 I128W63-V117 HydrophobicContact CD2-CB 4.11Å; W63-V117 HydrophobicContact CD2-CG1 4.47Å; W63-V117 HydrophobicContact CD2-CG2 3.93Å; W63-V117 HydrophobicContact CE3-CG2 3.91Å; W63-V117 HydrophobicContact CG-CB 4.39Å; W63-V117 HydrophobicContact CG-CG1 4.38Å; W63-V117 HydrophobicContact CH2-CG2 3.81Å; W63-V117 HydrophobicContact CZ2-CB 4.27Å; W63-V117 HydrophobicContact CZ2-CG2 3.84Å; W63-V117 HydrophobicContact CZ3-CG2 3.84Å; L65-V117 HydrophobicContact CD1-CG1 3.77Å; I99-V117 HydrophobicContact CD1-CG1 3.47Å; I99-V117 VanDerWaalsContact CD1-CG1 3.47Å; V117-L126 HydrophobicContact CG1-CD1 3.88Å; V117-L127 WeakPolarHBondContact CA-O 3.41Å; V117-I128 HydrophobicContact CG2-CG2 4.34Å
118H96.3Very high84.4Confident116 Ų11672.5 Ų72.554%0.53738%0.384SS..EExtended strand (participates in β ladder)trans-142.4130.8-178.1178.3-87.6000111L127H118-L127 PolarHBondContact N-O 2.8Å; H118-L127 PolarHBondContact O-N 3.22Å
119Y97.7Very high86.3Confident51 Ų5168 Ų6820%0.237%0.368CS..EExtended strand (participates in β ladder)trans-108.1126.7172.8178.3-112.5000110.4D66 V67 S68 E125 L126D66-Y119 VanDerWaalsContact O-CD1 3.29Å; D66-Y119 WeakPolarHBondContact O-CD1 3.35Å; D66-Y119 VanDerWaalsContact O-CE1 3.3Å; D66-Y119 WeakPolarHBondContact O-CE1 3.45Å; V67-Y119 HydrophobicContact CB-CD2 4.28Å; V67-Y119 HydrophobicContact CB-CE1 4.38Å; V67-Y119 HydrophobicContact CB-CE2 3.9Å; V67-Y119 HydrophobicContact CG1-CD1 4.18Å; V67-Y119 HydrophobicContact CG1-CD2 3.72Å; V67-Y119 HydrophobicContact CG1-CE1 4.33Å; V67-Y119 HydrophobicContact CG1-CE2 3.87Å; V67-Y119 HydrophobicContact CG1-CG 3.88Å; S68-Y119 PolarHBondContact N-OH 3.34Å; Y119-E125 WeakPolarHBondContact CA-O 3.35Å; Y119-E125 WeakPolarHBondContact CD2-O 3.38Å; Y119-L126 HydrophobicContact CD2-CB 4.03Å
120D96.6Very high88.3Confident56 Ų5664.9 Ų64.930%0.29934%0.336SS..EExtended strand (participates in β ladder)trans-100.8112.4170174.119.7000110.3Q122 S123 Q124 E125D120-Q122 VanDerWaalsContact C-N 3.29Å; D120-Q122 PolarHBondContact O-N 3.26Å; D120-Q122 PolarHBondContact OD1-N 2.94Å; D120-S123 WeakPolarHBondContact CB-OG 3.17Å; D120-S123 VanDerWaalsContact OD2-CB 3.29Å; D120-S123 WeakPolarHBondContact OD2-CB 3.46Å; D120-S123 PolarHBondContact OD2-N 2.9Å; D120-S123 PolarHBondContact OD2-OG 3.12Å; D120-Q124 VanDerWaalsContact O-CA 3.23Å; D120-Q124 WeakPolarHBondContact O-CA 3.45Å; D120-Q124 PolarHBondContact O-N 3.09Å; D120-E125 PolarHBondContact N-O 3.4Å; D120-E125 PolarHBondContact O-N 2.58Å
121G92.9Very high89.7Confident49 Ų4962.7 Ų62.751%0.50532%0.321SS..THydrogen-bonded Turntrans-69.5-20.6179.700000114.8
122Q93.3Very high90.7Very high188 Ų18866 Ų6688%0.87934%0.338SS*.THydrogen-bonded Turntrans-77-48179.1-64.5-173.22.300111.3D120D120-Q122 VanDerWaalsContact C-N 3.29Å; D120-Q122 PolarHBondContact O-N 3.26Å; D120-Q122 PolarHBondContact OD1-N 2.94Å
123S94.8Very high91.7Very high57 Ų5764.7 Ų64.740%0.39933%0.33SS..THydrogen-bonded Turntrans-83.8-12.5176.361.70000113.6D120 E125D120-S123 WeakPolarHBondContact CB-OG 3.17Å; D120-S123 VanDerWaalsContact OD2-CB 3.29Å; D120-S123 WeakPolarHBondContact OD2-CB 3.46Å; D120-S123 PolarHBondContact OD2-N 2.9Å; D120-S123 PolarHBondContact OD2-OG 3.12Å; S123-E125 PolarHBondContact O-N 2.99Å; S123-E125 PolarHBondContact OG-N 3.15Å
124Q96.7Very high92.4Very high82 Ų8259.9 Ų59.938%0.38331%0.309SS..THydrogen-bonded Turntrans59.129.8-172.1-51.6-174.7-0.700112.8S68 T71 T72 D120S68-Q124 PolarHBondContact OG-OE1 3.1Å; T71-Q124 WeakPolarHBondContact CA-O 3.38Å; T71-Q124 WeakPolarHBondContact CB-O 3.5Å; T71-Q124 PolarHBondContact OG1-O 2.79Å; T72-Q124 PolarHBondContact N-O 3.3Å; D120-Q124 VanDerWaalsContact O-CA 3.23Å; D120-Q124 WeakPolarHBondContact O-CA 3.45Å; D120-Q124 PolarHBondContact O-N 3.09Å
125E97.4Very high92.3Very high49 Ų4960.1 Ų60.123%0.22932%0.315CS..EExtended strand (participates in β ladder)trans-102.5132.7-179.6-63.2-162.4148.200112T72 R74 Y119 D120 S123T72-E125 CarbonylContact O-C 3.51Å; T72-E125 VanDerWaalsContact O-CA 3.3Å; T72-E125 WeakPolarHBondContact O-CA 2.9Å; R74-E125 IonicContact CZ-OE1 3.52Å; R74-E125 VanDerWaalsContact CZ-OE1 3.3Å; R74-E125 VanDerWaalsContact NE-CD 3.28Å; R74-E125 IonicContact NE-OE1 2.66Å; R74-E125 PolarHBondContact NE-OE1 3.34Å; R74-E125 IonicContact NE-OE2 3.3Å; R74-E125 PolarHBondContact NE-OE2 3.37Å; R74-E125 IonicContact NH2-OE1 4Å; R74-E125 PolarHBondContact NH2-OE1 3.02Å; Y119-E125 WeakPolarHBondContact CA-O 3.35Å; Y119-E125 WeakPolarHBondContact CD2-O 3.38Å; D120-E125 PolarHBondContact N-O 3.4Å; D120-E125 PolarHBondContact O-N 2.58Å; S123-E125 PolarHBondContact O-N 2.99Å; S123-E125 PolarHBondContact OG-N 3.15Å
126L98.1Very high92.1Very high0 Ų062.6 Ų62.60%033%0.333CS..EExtended strand (participates in β ladder)trans-106.3113.7171.6174.152.4000109.2L65 T72 V73 R74 A97 I99 V117 Y119 I128 M141L65-L126 HydrophobicContact CD1-CD1 3.56Å; L65-L126 HydrophobicContact CD1-CD2 4.36Å; T72-L126 PolarHBondContact O-N 2.89Å; V73-L126 CarbonylContact C-O 3.31Å; V73-L126 WeakPolarHBondContact CA-O 3.34Å; V73-L126 HydrophobicContact CG2-CB 4.1Å; V73-L126 HydrophobicContact CG2-CD2 4.13Å; V73-L126 HydrophobicContact CG2-CG 4.33Å; R74-L126 PolarHBondContact N-O 3.19Å; A97-L126 HydrophobicContact CB-CD2 3.86Å; I99-L126 HydrophobicContact CD1-CD1 4.47Å; I99-L126 HydrophobicContact CD1-CD2 4.19Å; V117-L126 HydrophobicContact CG1-CD1 3.88Å; Y119-L126 HydrophobicContact CD2-CB 4.03Å; L126-I128 HydrophobicContact CG-CG1 4.46Å; L126-M141 HydrophobicContact CD2-CE 3.41Å; L126-M141 VanDerWaalsContact CD2-CE 3.41Å; L126-M141 HydrophobicContact CG-CE 4.49Å
127L98.1Very high92.1Very high67 Ų6757.4 Ų57.435%0.35131%0.309SS..EExtended strand (participates in β ladder)trans-97.1129.7179.2-56-179.7000110.1R74 V117 H118R74-L127 HydrophobicContact CB-CD2 3.75Å; R74-L127 HydrophobicContact CG-CD2 4.21Å; R74-L127 WeakPolarHBondContact O-CA 3.29Å; V117-L127 WeakPolarHBondContact CA-O 3.41Å; H118-L127 PolarHBondContact N-O 2.8Å; H118-L127 PolarHBondContact O-N 3.22Å
128I97.3Very high92Very high0 Ų058.2 Ų58.20%031%0.314CS..EExtended strand (participates in β ladder)trans-125.6113.8173.3-51.6177.4000108.2V73 R74 A75 R76 L77 I99 L115 H116 V117 L126 I139 M141V73-I128 HydrophobicContact CG1-CD1 4.29Å; R74-I128 PolarHBondContact O-N 2.87Å; A75-I128 CarbonylContact C-O 3.1Å; A75-I128 VanDerWaalsContact CA-O 3.24Å; A75-I128 WeakPolarHBondContact CA-O 3.44Å; A75-I128 HydrophobicContact CB-CB 4.2Å; R76-I128 PolarHBondContact N-O 2.92Å; L77-I128 HydrophobicContact CD2-CB 4.41Å; L77-I128 HydrophobicContact CD2-CG2 3.73Å; I99-I128 HydrophobicContact CD1-CD1 4.14Å; L115-I128 HydrophobicContact CD1-CG2 4.23Å; H116-I128 CarbonylContact O-C 3.6Å; H116-I128 WeakPolarHBondContact O-CA 3.32Å; V117-I128 HydrophobicContact CG2-CG2 4.34Å; L126-I128 HydrophobicContact CG-CG1 4.46Å; I128-I139 HydrophobicContact CG2-CD1 4.05Å; I128-M141 HydrophobicContact CD1-SD 3.84Å
129S95.7Very high92.1Very high45 Ų4552.8 Ų52.832%0.31529%0.289SS..EExtended strand (participates in β ladder)trans-120.6126-179-59.40000110.2R76 L115 H116R76-S129 CarbonylContact O-C 3.52Å; R76-S129 WeakPolarHBondContact O-CA 3.39Å; L115-S129 WeakPolarHBondContact CA-O 3.4Å; H116-S129 PolarHBondContact N-O 2.95Å; H116-S129 PolarHBondContact O-N 2.67Å
130A92.3Very high92.1Very high0 Ų053.3 Ų53.30%029%0.294CS..EExtended strand (participates in β ladder)trans-152.940-176.100000111.6R76 L77 G78 L115 K132 V133 I139R76-A130 PolarHBondContact O-N 2.83Å; L77-A130 HydrophobicContact CB-CB 4.44Å; L77-A130 HydrophobicContact CD2-CB 3.58Å; G78-A130 PolarHBondContact N-O 3.38Å; L115-A130 HydrophobicContact CD1-CB 3.56Å; A130-K132 VanDerWaalsContact C-N 3.32Å; A130-K132 PolarHBondContact O-N 2.83Å; A130-V133 HydrophobicContact CB-CB 4.2Å; A130-V133 HydrophobicContact CB-CG2 3.86Å; A130-V133 WeakPolarHBondContact O-CB 3.48Å; A130-V133 PolarHBondContact O-N 2.82Å; A130-I139 HydrophobicContact CB-CD1 4.27Å
131E86.3Confident92.1Very high78 Ų7850.7 Ų50.736%0.36428%0.279SS..THydrogen-bonded Turntrans-63.9-33.3-167.8-68.3173.7-149.400113.4R76R76-E131 HydrophobicContact CB-CG 4.24Å; R76-E131 IonicContact CZ-OE1 3.12Å; R76-E131 IonicContact CZ-OE2 2.92Å; R76-E131 IonicContact NE-OE1 3.13Å; R76-E131 IonicContact NH1-OE1 2.72Å; R76-E131 PolarHBondContact NH1-OE1 2.87Å; R76-E131 IonicContact NH1-OE2 3.56Å; R76-E131 IonicContact NH2-OE1 2.72Å; R76-E131 PolarHBondContact NH2-OE1 3.35Å; R76-E131 IonicContact NH2-OE2 3.49Å; R76-E131 PolarHBondContact NH2-OE2 2.87Å
132K83.6Confident92.4Very high154 Ų15449.3 Ų49.367%0.6726%0.261SS*.THydrogen-bonded Turntrans-88.3-5.2179.1-59-178-157.4149.90113.9D114 A130D114-K132 HydrophobicContact CB-CB 4.22Å; D114-K132 WeakPolarHBondContact OD1-CD 3Å; D114-K132 IonicContact OD1-NZ 2.93Å; D114-K132 PolarHBondContact OD1-NZ 2.89Å; A130-K132 VanDerWaalsContact C-N 3.32Å; A130-K132 PolarHBondContact O-N 2.83Å
133V83Confident92.6Very high6 Ų640.4 Ų40.44%0.03622%0.219CC..SBendtrans-79131.3-179.5-174.90000108.8G78 C79 D114 A130 V137G78-V133 CarbonylContact C-O 3.56Å; G78-V133 VanDerWaalsContact CA-O 3.23Å; G78-V133 WeakPolarHBondContact CA-O 3.47Å; G78-V133 VanDerWaalsContact O-O 3.13Å; C79-V133 HydrophobicContact CB-CB 4.17Å; C79-V133 HydrophobicContact CB-CG1 3.87Å; C79-V133 PolarHBondContact N-O 2.9Å; D114-V133 HydrophobicContact CB-CG2 4.45Å; A130-V133 HydrophobicContact CB-CB 4.2Å; A130-V133 HydrophobicContact CB-CG2 3.86Å; A130-V133 WeakPolarHBondContact O-CB 3.48Å; A130-V133 PolarHBondContact O-N 2.82Å; V133-V137 HydrophobicContact CG1-CB 3.6Å; V133-V137 HydrophobicContact CG1-CG1 3.91Å; V133-V137 HydrophobicContact CG1-CG2 3.61Å
134N81.3Confident92.7Very high58 Ų5837.7 Ų37.731%0.3120%0.2SC..  trans-75.3168.4-177.370.441.1000113C79 S136 V137C79-N134 WeakPolarHBondContact CB-O 3.22Å; N134-S136 PolarHBondContact O-N 3.39Å; N134-S136 VanDerWaalsContact O-N 3.15Å; N134-S136 VanDerWaalsContact OD1-CB 3.32Å; N134-S136 WeakPolarHBondContact OD1-CB 3.33Å; N134-S136 PolarHBondContact OD1-N 3.41Å; N134-S136 PolarHBondContact OD1-OG 2.96Å; N134-V137 PolarHBondContact O-N 2.79Å
135S79.4Confident92.7Very high60 Ų6036.6 Ų36.642%0.4220%0.196SC..THydrogen-bonded Turntrans-73.22.3-17858.30000115.7N80 V137N80-S135 PolarHBondContact ND2-O 2.86Å; S135-V137 VanDerWaalsContact C-N 3.33Å
136S85.6Confident92.7Very high59 Ų5937.9 Ų37.941%0.41320%0.201SC..THydrogen-bonded Turntrans-80.2-19.9171.175.30000112.5N134N134-S136 PolarHBondContact O-N 3.39Å; N134-S136 VanDerWaalsContact O-N 3.15Å; N134-S136 VanDerWaalsContact OD1-CB 3.32Å; N134-S136 WeakPolarHBondContact OD1-CB 3.33Å; N134-S136 PolarHBondContact OD1-N 3.41Å; N134-S136 PolarHBondContact OD1-OG 2.96Å
137V91.8Very high92.7Very high6 Ų637.9 Ų37.94%0.03620%0.201CC..  trans-86.4143.3176.8179.50000110.1C79 N80 V101 H102 V133 N134 S135C79-V137 HydrophobicContact CB-CB 4.12Å; C79-V137 WeakPolarHBondContact CB-O 3.35Å; N80-V137 PolarHBondContact N-O 2.86Å; N80-V137 PolarHBondContact ND2-O 2.95Å; V101-V137 HydrophobicContact CG1-CG1 3.47Å; V101-V137 VanDerWaalsContact CG1-CG1 3.47Å; H102-V137 CarbonylContact O-C 3.57Å; H102-V137 WeakPolarHBondContact O-CA 3.46Å; H102-V137 WeakPolarHBondContact O-CG1 3.36Å; V133-V137 HydrophobicContact CG1-CB 3.6Å; V133-V137 HydrophobicContact CG1-CG1 3.91Å; V133-V137 HydrophobicContact CG1-CG2 3.61Å; N134-V137 PolarHBondContact O-N 2.79Å; S135-V137 VanDerWaalsContact C-N 3.33Å
138T95Very high92.7Very high42 Ų4236 Ų3626%0.25819%0.191SC..EExtended strand (participates in β ladder)trans-127.7124.7176.4-56.90000110.3N80 H102 E140N80-T138 HydrophobicContact CB-CG2 4.13Å; N80-T138 PolarHBondContact ND2-OG1 2.88Å; N80-T138 WeakPolarHBondContact O-CA 3.4Å; H102-T138 PolarHBondContact N-O 2.93Å; H102-T138 PolarHBondContact O-N 2.8Å; T138-E140 HydrophobicContact CG2-CG 4.43Å
139I96.4Very high92.8Very high1 Ų136 Ų361%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-92.8121.2171-59.1175.5000108L77 N80 I81 C82 I99 S100 L115 I128 A130L77-I139 HydrophobicContact CD1-CD1 4.31Å; L77-I139 HydrophobicContact CD2-CD1 3.81Å; N80-I139 PolarHBondContact O-N 3.45Å; I81-I139 CarbonylContact C-O 3.54Å; I81-I139 VanDerWaalsContact CA-O 3.25Å; I81-I139 WeakPolarHBondContact CA-O 3.43Å; I81-I139 HydrophobicContact CB-CB 4.44Å; I81-I139 HydrophobicContact CD1-CG2 4.45Å; I81-I139 HydrophobicContact CG1-CB 4.3Å; I81-I139 HydrophobicContact CG1-CG2 4.39Å; C82-I139 PolarHBondContact N-O 2.8Å; I99-I139 HydrophobicContact CG2-CG2 3.77Å; S100-I139 CarbonylContact O-C 3.58Å; S100-I139 WeakPolarHBondContact O-CA 3.32Å; L115-I139 HydrophobicContact CD1-CD1 3.84Å; I128-I139 HydrophobicContact CG2-CD1 4.05Å; A130-I139 HydrophobicContact CB-CD1 4.27Å
140E97.8Very high92.9Very high63 Ų6336.4 Ų36.429%0.29419%0.187SC..EExtended strand (participates in β ladder)trans-102.4135.2168.8-67.5-173.1150.200109.5C82 I99 S100 H102 T138C82-E140 HydrophobicContact CB-CG 4.49Å; C82-E140 WeakPolarHBondContact O-CA 3.41Å; I99-E140 CarbonylContact C-O 3.5Å; I99-E140 WeakPolarHBondContact CA-O 3.38Å; S100-E140 PolarHBondContact N-O 2.89Å; S100-E140 PolarHBondContact O-N 3.46Å; H102-E140 IonicContact CD2-OE2 2.87Å; H102-E140 IonicContact CE1-OE2 3.31Å; H102-E140 IonicContact NE2-OE2 2.92Å; H102-E140 PolarHBondContact NE2-OE2 3.02Å; T138-E140 HydrophobicContact CG2-CG 4.43Å
141M97.7Very high93.2Very high0 Ų036.5 Ų36.50%019%0.188CC..EExtended strand (participates in β ladder)trans-134.5121.4-177.4179.7178.5-177.200111.1V73 C82 V83 R84 A97 L98 I99 L126 I128 A143V73-M141 HydrophobicContact CB-CE 4.43Å; V73-M141 HydrophobicContact CG1-CE 4.28Å; V73-M141 HydrophobicContact CG1-SD 4.1Å; V73-M141 HydrophobicContact CG2-CE 3.32Å; V73-M141 HydrophobicContact CG2-SD 4.15Å; C82-M141 PolarHBondContact O-N 3.03Å; V83-M141 WeakPolarHBondContact CA-O 3.49Å; V83-M141 HydrophobicContact CG1-SD 4.48Å; V83-M141 HydrophobicContact CG2-CB 4.39Å; V83-M141 HydrophobicContact CG2-SD 4.49Å; R84-M141 PolarHBondContact N-O 2.77Å; A97-M141 HydrophobicContact CB-CE 4.24Å; L98-M141 CarbonylContact O-C 3.48Å; L98-M141 WeakPolarHBondContact O-CA 3.25Å; I99-M141 HydrophobicContact CG1-CB 4.48Å; I99-M141 HydrophobicContact CG1-CG 4.08Å; L126-M141 HydrophobicContact CD2-CE 3.41Å; L126-M141 VanDerWaalsContact CD2-CE 3.41Å; L126-M141 HydrophobicContact CG-CE 4.49Å; I128-M141 HydrophobicContact CD1-SD 3.84Å; M141-A143 HydrophobicContact CE-CB 3.65Å; M141-A143 HydrophobicContact CG-CB 4.28Å; M141-A143 HydrophobicContact SD-CB 4.47Å
142D98.1Very high93.8Very high21 Ų2134.6 Ų34.611%0.11218%0.182CC..EExtended strand (participates in β ladder)trans-98.9111.2167.2-65.5-17.2000108.4R84 L86 A97 L98R84-D142 WeakPolarHBondContact CD-OD1 3.48Å; R84-D142 WeakPolarHBondContact CG-OD1 3.35Å; R84-D142 IonicContact CZ-OD1 3.52Å; R84-D142 IonicContact CZ-OD2 3.97Å; R84-D142 IonicContact NE-OD1 3.11Å; R84-D142 PolarHBondContact NE-OD1 2.86Å; R84-D142 IonicContact NH1-OD1 2.74Å; R84-D142 PolarHBondContact NH1-OD1 2.88Å; R84-D142 IonicContact NH1-OD2 3.16Å; R84-D142 PolarHBondContact NH1-OD2 3.11Å; R84-D142 VanDerWaalsContact NH1-OD2 3.11Å; R84-D142 IonicContact NH2-OD1 2.7Å; R84-D142 PolarHBondContact NH2-OD1 2.71Å; R84-D142 VanDerWaalsContact NH2-OD1 3.1Å; R84-D142 IonicContact NH2-OD2 3.4Å; R84-D142 PolarHBondContact NH2-OD2 2.79Å; R84-D142 WeakPolarHBondContact O-CA 3.25Å; L86-D142 HydrophobicContact CD1-CB 3.89Å; A97-D142 CarbonylContact C-O 3.55Å; A97-D142 WeakPolarHBondContact CA-O 3.47Å; L98-D142 HydrophobicContact CB-CB 4.13Å; L98-D142 HydrophobicContact CG-CB 4.49Å; L98-D142 PolarHBondContact N-O 2.96Å; L98-D142 PolarHBondContact O-N 2.79Å
143A97.8Very high94.4Very high0 Ų027.4 Ų27.40%015%0.151CC..EExtended strand (participates in β ladder)trans-119.1155.5-172.900000111.5V83 R84 P85 L86 M141 I145 T147 M164V83-A143 HydrophobicContact CG1-CB 4.34Å; R84-A143 PolarHBondContact O-N 3.36Å; P85-A143 CarbonylContact C-O 3.55Å; P85-A143 WeakPolarHBondContact CA-O 3.12Å; L86-A143 WeakPolarHBondContact CB-O 3.28Å; L86-A143 PolarHBondContact N-O 3Å; M141-A143 HydrophobicContact CE-CB 3.65Å; M141-A143 HydrophobicContact CG-CB 4.28Å; M141-A143 HydrophobicContact SD-CB 4.47Å; A143-I145 PolarHBondContact O-N 2.86Å; A143-T147 HydrophobicContact CB-CG2 4.38Å; A143-M164 HydrophobicContact CB-CE 4.21Å
144P97.6Very high94.9Very high0 Ų030.5 Ų30.50%017%0.165CC..  trans-51.1135.4169.6-2636.1000110.9V67 P69 T71 A94 R96 K146 T147 M164V67-P144 HydrophobicContact CG2-CG 3.72Å; P69-P144 WeakPolarHBondContact O-CB 3.4Å; T71-P144 HydrophobicContact CG2-CG 4.29Å; A94-P144 HydrophobicContact CB-CB 4.36Å; A94-P144 VanDerWaalsContact O-CB 3.28Å; A94-P144 WeakPolarHBondContact O-CB 3.3Å; A94-P144 WeakPolarHBondContact O-CG 3.29Å; R96-P144 VanDerWaalsContact O-CD 3.32Å; R96-P144 WeakPolarHBondContact O-CD 3.36Å; P144-K146 PolarHBondContact O-N 2.87Å; P144-T147 WeakPolarHBondContact CD-OG1 3.3Å; P144-T147 WeakPolarHBondContact O-CB 3.2Å; P144-T147 PolarHBondContact O-N 3.25Å; P144-T147 PolarHBondContact O-OG1 3.38Å; P144-M164 WeakPolarHBondContact O-CE 3.32Å
145I96.6Very high95.5Very high60 Ų6029 Ų2931%0.30816%0.164SC..THydrogen-bonded Turntrans-57.3-29.1-170.4-168.3171.7000113.6P85 A143 T147 E165P85-I145 HydrophobicContact CB-CB 4.16Å; P85-I145 HydrophobicContact CB-CD1 4.47Å; P85-I145 HydrophobicContact CB-CG1 4.1Å; A143-I145 PolarHBondContact O-N 2.86Å; I145-T147 VanDerWaalsContact C-N 3.27Å; I145-T147 PolarHBondContact O-N 3.49Å; I145-E165 HydrophobicContact CD1-CB 4.31Å; I145-E165 HydrophobicContact CG1-CB 4.01Å; I145-E165 CarbonylContact O-C 3.58Å; I145-E165 VanDerWaalsContact O-C 3.31Å; I145-E165 PolarHBondContact O-N 3.38Å
146K96.7Very high96.2Very high75 Ų7527.8 Ų27.833%0.32616%0.16SC..THydrogen-bonded Turntrans-85.112.6179.5-68.5-78.4160.7-172.20114.6F70 P144 N148 E165F70-K146 HydrophobicContact CD1-CB 3.83Å; F70-K146 HydrophobicContact CD1-CG 4.34Å; F70-K146 HydrophobicContact CE1-CB 4.09Å; F70-K146 HydrophobicContact CE1-CG 4.1Å; P144-K146 PolarHBondContact O-N 2.87Å; K146-N148 PolarHBondContact O-N 2.59Å; K146-E165 VanDerWaalsContact CA-O 3.29Å; K146-E165 WeakPolarHBondContact CA-O 3.06Å; K146-E165 WeakPolarHBondContact CD-O 3.25Å; K146-E165 WeakPolarHBondContact CE-OE1 3.4Å; K146-E165 IonicContact NZ-OE1 3.61Å; K146-E165 PolarHBondContact NZ-OE1 2.8Å
147T98Very high96.6Very high0 Ų025 Ų250%014%0.14CC..  trans-71.1125.7-177.9-640000112.2T71 V73 A143 P144 I145 L149 S166T71-T147 HydrophobicContact CG2-CG2 3.9Å; T71-T147 WeakPolarHBondContact CG2-OG1 3.34Å; T71-T147 VanDerWaalsContact O-CA 3.25Å; T71-T147 WeakPolarHBondContact O-CA 3.48Å; V73-T147 HydrophobicContact CB-CG2 4.08Å; V73-T147 HydrophobicContact CG2-CG2 3.39Å; A143-T147 HydrophobicContact CB-CG2 4.38Å; P144-T147 WeakPolarHBondContact CD-OG1 3.3Å; P144-T147 WeakPolarHBondContact O-CB 3.2Å; P144-T147 PolarHBondContact O-N 3.25Å; P144-T147 PolarHBondContact O-OG1 3.38Å; I145-T147 VanDerWaalsContact C-N 3.27Å; I145-T147 PolarHBondContact O-N 3.49Å; T147-L149 HydrophobicContact CG2-CD2 3.85Å; T147-S166 WeakPolarHBondContact O-CB 3.41Å
148N98.6Very high96.9Very high27 Ų2727.5 Ų27.514%0.14415%0.153CC..EExtended strand (participates in β ladder)trans-73.3140.1169.6-71.8-35.4000110.5T71 T72 V73 K146 F150 D167 V168T71-N148 PolarHBondContact O-N 3.36Å; T72-N148 HydrophobicContact CG2-CB 4.22Å; V73-N148 PolarHBondContact N-O 2.95Å; K146-N148 PolarHBondContact O-N 2.59Å; N148-F150 HydrophobicContact CB-CE2 4.24Å; N148-D167 PolarHBondContact OD1-N 2.89Å; N148-V168 WeakPolarHBondContact CA-O 3.31Å; N148-V168 PolarHBondContact OD1-N 2.8Å
149L98.8Very high97.1Very high0 Ų025.5 Ų25.50%014%0.141CC..EExtended strand (participates in β ladder)trans-119.7128.4-173.5-58175.9000111.4V73 V83 T147 I151 V161 M164 V168 K170V73-L149 HydrophobicContact CB-CD2 4.04Å; V73-L149 HydrophobicContact CG2-CD2 4.45Å; V83-L149 HydrophobicContact CG1-CD1 4.3Å; V83-L149 HydrophobicContact CG1-CD2 4.03Å; T147-L149 HydrophobicContact CG2-CD2 3.85Å; L149-I151 HydrophobicContact CB-CD1 4.48Å; L149-V161 HydrophobicContact CD1-CB 4.49Å; L149-V161 HydrophobicContact CD1-CG1 3.49Å; L149-V161 VanDerWaalsContact CD1-CG1 3.49Å; L149-V161 HydrophobicContact CD1-CG2 4.13Å; L149-M164 HydrophobicContact CD1-CB 4.46Å; L149-M164 HydrophobicContact CD1-CG 4.16Å; L149-V168 PolarHBondContact N-O 3.32Å; L149-K170 PolarHBondContact O-N 2.81Å
150F98.8Very high97.2Very high54 Ų5428.7 Ų28.724%0.23716%0.156CC..EExtended strand (participates in β ladder)trans-130.195.8169.7-60.9-92.5000108.2T72 V73 R74 A75 N148 V168 K170T72-F150 HydrophobicContact CG2-CD2 3.56Å; T72-F150 HydrophobicContact CG2-CE2 3.52Å; V73-F150 PolarHBondContact O-N 2.91Å; R74-F150 CarbonylContact C-O 3.6Å; R74-F150 VanDerWaalsContact CA-O 3.3Å; R74-F150 WeakPolarHBondContact CA-O 3.48Å; R74-F150 HydrophobicContact CG-CB 4.27Å; R74-F150 HydrophobicContact CG-CD2 4.47Å; A75-F150 PolarHBondContact N-O 3.34Å; N148-F150 HydrophobicContact CB-CE2 4.24Å; F150-V168 HydrophobicContact CE1-CG1 3.89Å; F150-V168 HydrophobicContact CE2-CG1 4.45Å; F150-V168 HydrophobicContact CZ-CB 4.29Å; F150-V168 HydrophobicContact CZ-CG1 3.72Å; F150-K170 WeakPolarHBondContact CA-O 3.31Å; F150-K170 HydrophobicContact CD1-CB 4.06Å; F150-K170 HydrophobicContact CD1-CD 4.01Å; F150-K170 HydrophobicContact CD1-CG 4.08Å; F150-K170 HydrophobicContact CE1-CD 3.83Å; F150-K170 HydrophobicContact CE1-CG 4.06Å
151I98.7Very high97.2Very high2 Ų225.7 Ų25.71%0.0114%0.142CC..EExtended strand (participates in β ladder)trans-114.2125.6-174.2-57.5170.1000108.6A75 I81 V83 L149 T153 V159 V161 K170 V171 Q172A75-I151 HydrophobicContact CB-CG1 4.28Å; A75-I151 HydrophobicContact CB-CG2 4.31Å; I81-I151 HydrophobicContact CG2-CG2 3.78Å; V83-I151 HydrophobicContact CG2-CD1 3.91Å; L149-I151 HydrophobicContact CB-CD1 4.48Å; I151-T153 HydrophobicContact CG2-CG2 4.33Å; I151-V159 HydrophobicContact CD1-CG1 4.02Å; I151-V159 HydrophobicContact CG2-CG1 4.02Å; I151-V159 HydrophobicContact CG2-CG2 3.75Å; I151-V161 HydrophobicContact CD1-CG2 4.09Å; I151-K170 PolarHBondContact N-O 2.88Å; I151-V171 CarbonylContact O-C 3.58Å; I151-V171 VanDerWaalsContact O-CA 3.31Å; I151-V171 WeakPolarHBondContact O-CA 3.36Å; I151-Q172 PolarHBondContact O-N 2.88Å
152T98.4Very high97.3Very high38 Ų3828.7 Ų28.723%0.23316%0.155CC..EExtended strand (participates in β ladder)trans-122.8124.3172.8-61.50000108.6A75 R76 L77 Q172A75-T152 PolarHBondContact O-N 2.73Å; R76-T152 WeakPolarHBondContact CA-O 3.33Å; L77-T152 PolarHBondContact N-O 3.31Å; T152-Q172 CarbonylContact C-O 2.96Å; T152-Q172 WeakPolarHBondContact CA-O 3.23Å; T152-Q172 HydrophobicContact CG2-CB 4.25Å
153T97Very high97.3Very high3 Ų334 Ų342%0.01818%0.178CC..EExtended strand (participates in β ladder)trans-114136171.465.10000112L77 I151 G157 V159 Q172 T173 E174L77-T153 HydrophobicContact CB-CG2 4.32Å; L77-T153 CarbonylContact O-C 3.59Å; L77-T153 WeakPolarHBondContact O-CA 3.23Å; I151-T153 HydrophobicContact CG2-CG2 4.33Å; T153-G157 VanDerWaalsContact CB-O 3.31Å; T153-G157 WeakPolarHBondContact CB-O 3.38Å; T153-G157 PolarHBondContact OG1-O 2.88Å; T153-V159 HydrophobicContact CG2-CG2 3.4Å; T153-V159 VanDerWaalsContact CG2-CG2 3.4Å; T153-Q172 PolarHBondContact N-O 3.41Å; T153-T173 WeakPolarHBondContact OG1-CG2 3.37Å; T153-E174 PolarHBondContact O-N 3.17Å; T153-E174 VanDerWaalsContact O-N 3.08Å
154E93.9Very high97.3Very high71 Ų7134.1 Ų34.133%0.33218%0.178SC..  trans-103.3155.9174.1-63.8178.5-164.500109.4R76 L77 G156R76-E154 IonicContact CZ-OE1 2.77Å; R76-E154 IonicContact NH2-OE1 2.78Å; R76-E154 PolarHBondContact NH2-OE1 2.86Å; L77-E154 PolarHBondContact O-N 3.33Å; E154-G156 PolarHBondContact O-N 2.82Å
155G92.9Very high97.3Very high28 Ų2837.2 Ų37.229%0.28919%0.192SC..THydrogen-bonded Turntrans58.9-131.6-175.300000113E174 K175 G176G155-E174 PolarHBondContact N-OE2 3.06Å; G155-K175 WeakPolarHBondContact O-CA 3.29Å; G155-K175 VanDerWaalsContact O-CB 3.28Å; G155-K175 WeakPolarHBondContact O-CB 3.42Å; G155-K175 PolarHBondContact O-N 2.79Å; G155-G176 PolarHBondContact O-N 2.84Å
156G93.2Very high97.3Very high33 Ų3334.6 Ų34.634%0.3418%0.18SC..THydrogen-bonded Turntrans-9411.1-174.400000115.5E154 N158E154-G156 PolarHBondContact O-N 2.82Å; G156-N158 PolarHBondContact O-N 2.86Å
157G95.8Very high97.4Very high0 Ų036.1 Ų36.10%019%0.191CC..  trans-66.4119.6-175.900000113.2C79 T153 G176C79-G157 VanDerWaalsContact O-CA 3.29Å; C79-G157 WeakPolarHBondContact O-CA 3.35Å; T153-G157 VanDerWaalsContact CB-O 3.31Å; T153-G157 WeakPolarHBondContact CB-O 3.38Å; T153-G157 PolarHBondContact OG1-O 2.88Å; G157-G176 WeakPolarHBondContact O-CA 3.36Å
158N97.7Very high97.4Very high59 Ų5937.5 Ų37.532%0.31620%0.2SC..  trans-85.4147.7178.7-58.4-70.6000111.9N80 I81 G156 S177N80-N158 CarbonylContact C-O 3.59Å; N80-N158 VanDerWaalsContact CA-O 3.22Å; N80-N158 WeakPolarHBondContact CA-O 3.45Å; N80-N158 WeakPolarHBondContact OD1-CB 3.29Å; N80-N158 PolarHBondContact OD1-N 2.73Å; N80-N158 PolarHBondContact OD1-ND2 2.96Å; I81-N158 PolarHBondContact N-O 2.87Å; G156-N158 PolarHBondContact O-N 2.86Å; N158-S177 CarbonylContact C-O 3.58Å; N158-S177 VanDerWaalsContact CA-O 3.3Å; N158-S177 WeakPolarHBondContact CA-O 3.3Å; N158-S177 PolarHBondContact OD1-N 2.86Å
159V98.6Very high97.4Very high1 Ų136.3 Ų36.31%0.00619%0.193CC..EExtended strand (participates in β ladder)trans-116.7132.1177.4-179.20000110I81 I151 T153 V161 V171 T173 S177 C178 L179I81-V159 HydrophobicContact CG2-CB 4.38Å; I81-V159 HydrophobicContact CG2-CG1 4.18Å; I81-V159 HydrophobicContact CG2-CG2 4.02Å; I81-V159 CarbonylContact O-C 3.34Å; I151-V159 HydrophobicContact CD1-CG1 4.02Å; I151-V159 HydrophobicContact CG2-CG1 4.02Å; I151-V159 HydrophobicContact CG2-CG2 3.75Å; T153-V159 HydrophobicContact CG2-CG2 3.4Å; T153-V159 VanDerWaalsContact CG2-CG2 3.4Å; V159-V161 HydrophobicContact CG1-CG2 4.12Å; V159-V171 HydrophobicContact CB-CG1 3.84Å; V159-V171 HydrophobicContact CG1-CG1 3.71Å; V159-V171 HydrophobicContact CG1-CG2 4.08Å; V159-V171 HydrophobicContact CG2-CG1 3.86Å; V159-T173 HydrophobicContact CG2-CG2 3.96Å; V159-S177 PolarHBondContact N-O 2.9Å; V159-C178 CarbonylContact O-C 3.31Å; V159-C178 WeakPolarHBondContact O-CA 3.2Å; V159-L179 PolarHBondContact O-N 2.84Å
160Q98.7Very high97.4Very high68 Ų6838.9 Ų38.932%0.31820%0.204SC..EExtended strand (participates in β ladder)trans-125.2126.8169.5-51-172.922.100109.9I81 C82 V83 L179I81-Q160 PolarHBondContact O-N 3.45Å; C82-Q160 CarbonylContact C-O 3.48Å; C82-Q160 WeakPolarHBondContact CA-O 3.3Å; C82-Q160 HydrophobicContact CB-CB 4.17Å; V83-Q160 PolarHBondContact N-O 3.23Å; Q160-L179 CarbonylContact C-O 3.53Å; Q160-L179 WeakPolarHBondContact CA-O 3.13Å; Q160-L179 HydrophobicContact CB-CB 4.45Å; Q160-L179 HydrophobicContact CB-CD2 4.48Å; Q160-L179 HydrophobicContact CG-CB 4.15Å; Q160-L179 HydrophobicContact CG-CD2 4.18Å
161V98.8Very high97.4Very high0 Ų036.3 Ų36.30%019%0.193CC..EExtended strand (participates in β ladder)trans-123.4121.7172.3-175.50000108.4L149 I151 V159 M164 V171 L179 L180 H181 V183L149-V161 HydrophobicContact CD1-CB 4.49Å; L149-V161 HydrophobicContact CD1-CG1 3.49Å; L149-V161 VanDerWaalsContact CD1-CG1 3.49Å; L149-V161 HydrophobicContact CD1-CG2 4.13Å; I151-V161 HydrophobicContact CD1-CG2 4.09Å; V159-V161 HydrophobicContact CG1-CG2 4.12Å; V161-M164 HydrophobicContact CG1-CB 4.04Å; V161-M164 HydrophobicContact CG1-CG 3.69Å; V161-V171 HydrophobicContact CG2-CG2 4.39Å; V161-L179 PolarHBondContact N-O 3.28Å; V161-L180 HydrophobicContact CB-CD2 3.79Å; V161-L180 HydrophobicContact CG2-CD2 4.03Å; V161-H181 PolarHBondContact O-N 2.92Å; V161-V183 HydrophobicContact CB-CG2 4.16Å; V161-V183 HydrophobicContact CG1-CG2 3.82Å
162K98.6Very high97.4Very high62 Ų6240.1 Ų40.127%0.2721%0.211SC..EExtended strand (participates in β ladder)trans-124.4127.2-171.9-59.7177-178.9160.20110.3V83 R84 P85 M164 H181V83-K162 PolarHBondContact O-N 3.49Å; R84-K162 HydrophobicContact CB-CB 4.34Å; P85-K162 WeakPolarHBondContact CD-O 3.46Å; K162-M164 PolarHBondContact O-N 3.18Å; K162-H181 CarbonylContact C-O 3.49Å; K162-H181 WeakPolarHBondContact CA-O 3.23Å; K162-H181 HydrophobicContact CB-CB 4.46Å; K162-H181 HydrophobicContact CG-CB 4.1Å
163K98.1Very high97.4Very high134 Ų13438.5 Ų38.558%0.58320%0.201SC*.SBendtrans54.923.1168.2-55.9179.5-179177.10115.7P85 H181 S182P85-K163 HydrophobicContact CG-CB 4.02Å; K163-H181 PolarHBondContact N-O 2.9Å; K163-S182 WeakPolarHBondContact CA-O 3.49Å
164M98.1Very high97.4Very high1 Ų142.2 Ų42.21%0.00522%0.218CC..  trans-77.9148.2176.2-63.2-57.7-66.200111.1V83 P85 A143 P144 L149 V161 K162 K184V83-M164 HydrophobicContact CG1-CG 4.44Å; V83-M164 HydrophobicContact CG1-SD 4.33Å; P85-M164 HydrophobicContact CB-SD 4.09Å; A143-M164 HydrophobicContact CB-CE 4.21Å; P144-M164 WeakPolarHBondContact O-CE 3.32Å; L149-M164 HydrophobicContact CD1-CB 4.46Å; L149-M164 HydrophobicContact CD1-CG 4.16Å; V161-M164 HydrophobicContact CG1-CB 4.04Å; V161-M164 HydrophobicContact CG1-CG 3.69Å; K162-M164 PolarHBondContact O-N 3.18Å; M164-K184 PolarHBondContact O-N 2.94Å
165E97.6Very high97.4Very high65 Ų6545.4 Ų45.430%0.30423%0.231SC..EExtended strand (participates in β ladder)trans-131.592.4177-173.3177.7129.300111I145 K146 K184I145-E165 HydrophobicContact CD1-CB 4.31Å; I145-E165 HydrophobicContact CG1-CB 4.01Å; I145-E165 CarbonylContact O-C 3.58Å; I145-E165 VanDerWaalsContact O-C 3.31Å; I145-E165 PolarHBondContact O-N 3.38Å; K146-E165 VanDerWaalsContact CA-O 3.29Å; K146-E165 WeakPolarHBondContact CA-O 3.06Å; K146-E165 WeakPolarHBondContact CD-O 3.25Å; K146-E165 WeakPolarHBondContact CE-OE1 3.4Å; K146-E165 IonicContact NZ-OE1 3.61Å; K146-E165 PolarHBondContact NZ-OE1 2.8Å; E165-K184 CarbonylContact C-O 3.56Å; E165-K184 WeakPolarHBondContact CA-O 3.44Å; E165-K184 HydrophobicContact CB-CB 4.37Å; E165-K184 HydrophobicContact CG-CB 4Å; E165-K184 HydrophobicContact CG-CD 4.33Å; E165-K184 IonicContact OE2-NZ 3Å
166S96.2Very high97.6Very high6 Ų644.2 Ų44.24%0.04222%0.218CC..EExtended strand (participates in β ladder)trans-123.7-177.3-171.667.10000113T147 V168 K184 A185 H186T147-S166 WeakPolarHBondContact O-CB 3.41Å; S166-V168 PolarHBondContact OG-O 2.92Å; S166-K184 PolarHBondContact N-O 3.18Å; S166-A185 WeakPolarHBondContact O-CA 3.43Å; S166-H186 PolarHBondContact O-N 2.84Å
167D98.1Very high97.8Very high107 Ų10744.5 Ų44.557%0.57222%0.215SC*.EExtended strand (participates in β ladder)trans-84.1-40166.3-67.8-32.3000110N148 H186 Q187N148-D167 PolarHBondContact OD1-N 2.89Å; D167-H186 WeakPolarHBondContact O-CA 3.45Å; D167-H186 WeakPolarHBondContact O-CB 3.34Å; D167-H186 PolarHBondContact O-N 2.86Å; D167-Q187 PolarHBondContact O-N 2.87Å
168V98.5Very high97.9Very high29 Ų2944.6 Ų44.618%0.17622%0.216CC..EExtended strand (participates in β ladder)trans-130.3132.6-175.2-179.30000110.9N148 L149 F150 S166 K170 Q187N148-V168 WeakPolarHBondContact CA-O 3.31Å; N148-V168 PolarHBondContact OD1-N 2.8Å; L149-V168 PolarHBondContact N-O 3.32Å; F150-V168 HydrophobicContact CE1-CG1 3.89Å; F150-V168 HydrophobicContact CE2-CG1 4.45Å; F150-V168 HydrophobicContact CZ-CB 4.29Å; F150-V168 HydrophobicContact CZ-CG1 3.72Å; S166-V168 PolarHBondContact OG-O 2.92Å; V168-K170 HydrophobicContact CG1-CD 4.18Å; V168-K170 HydrophobicContact CG1-CG 3.57Å; V168-Q187 WeakPolarHBondContact CA-O 3.42Å
169C98.7Very high98Very high1 Ų143.6 Ų43.61%0.00721%0.21CC..EExtended strand (participates in β ladder)trans-132.2103.6168.2177.60000109V183 A185 Q187 V188 E189C169-V183 HydrophobicContact CB-CG1 4.34Å; C169-A185 HydrophobicContact CB-CB 4.24Å; C169-Q187 PolarHBondContact N-O 2.91Å; C169-V188 CarbonylContact O-C 3.56Å; C169-V188 WeakPolarHBondContact O-CA 3.39Å; C169-E189 PolarHBondContact O-N 3Å
170K98.8Very high98Very high54 Ų5443.5 Ų43.524%0.23521%0.21CC..EExtended strand (participates in β ladder)trans-113.6128.3177.2-55-158.5179.8-152.50110.8L149 F150 I151 V168 E189L149-K170 PolarHBondContact O-N 2.81Å; F150-K170 WeakPolarHBondContact CA-O 3.31Å; F150-K170 HydrophobicContact CD1-CB 4.06Å; F150-K170 HydrophobicContact CD1-CD 4.01Å; F150-K170 HydrophobicContact CD1-CG 4.08Å; F150-K170 HydrophobicContact CE1-CD 3.83Å; F150-K170 HydrophobicContact CE1-CG 4.06Å; I151-K170 PolarHBondContact N-O 2.88Å; V168-K170 HydrophobicContact CG1-CD 4.18Å; V168-K170 HydrophobicContact CG1-CG 3.57Å; K170-E189 CarbonylContact C-O 3.56Å; K170-E189 VanDerWaalsContact CA-O 3.3Å; K170-E189 WeakPolarHBondContact CA-O 3.39Å; K170-E189 HydrophobicContact CB-CB 4.45Å; K170-E189 HydrophobicContact CD-CB 4.34Å; K170-E189 WeakPolarHBondContact CD-OE2 3.32Å; K170-E189 WeakPolarHBondContact CE-OE2 3.4Å; K170-E189 HydrophobicContact CG-CB 4.04Å; K170-E189 IonicContact NZ-OE2 3.86Å; K170-E189 PolarHBondContact NZ-OE2 2.99Å
171V98.8Very high98Very high1 Ų143.3 Ų43.31%0.00621%0.209CC..EExtended strand (participates in β ladder)trans-127.8131.3177-178.50000109.7I151 V159 V161 T173 C178 L180 E189 V190 R191I151-V171 CarbonylContact O-C 3.58Å; I151-V171 VanDerWaalsContact O-CA 3.31Å; I151-V171 WeakPolarHBondContact O-CA 3.36Å; V159-V171 HydrophobicContact CB-CG1 3.84Å; V159-V171 HydrophobicContact CG1-CG1 3.71Å; V159-V171 HydrophobicContact CG1-CG2 4.08Å; V159-V171 HydrophobicContact CG2-CG1 3.86Å; V161-V171 HydrophobicContact CG2-CG2 4.39Å; V171-T173 HydrophobicContact CG1-CG2 4.06Å; V171-C178 HydrophobicContact CG1-CB 4.36Å; V171-L180 HydrophobicContact CG2-CD2 4.48Å; V171-E189 PolarHBondContact N-O 3.48Å; V171-V190 HydrophobicContact CB-CG2 4.5Å; V171-V190 CarbonylContact O-C 3.52Å; V171-V190 WeakPolarHBondContact O-CA 3.28Å; V171-R191 PolarHBondContact O-N 3.32Å
172Q98.6Very high98Very high81 Ų8145.3 Ų45.338%0.37922%0.223SC..EExtended strand (participates in β ladder)trans-125.4131.2173.1-60.8-173.4-11.900109.2I151 T152 T153 R191I151-Q172 PolarHBondContact O-N 2.88Å; T152-Q172 CarbonylContact C-O 2.96Å; T152-Q172 WeakPolarHBondContact CA-O 3.23Å; T152-Q172 HydrophobicContact CG2-CB 4.25Å; T153-Q172 PolarHBondContact N-O 3.41Å; Q172-R191 CarbonylContact C-O 3.57Å; Q172-R191 VanDerWaalsContact CA-O 3.25Å; Q172-R191 WeakPolarHBondContact CA-O 3.24Å; Q172-R191 HydrophobicContact CG-CB 4.29Å
173T97.9Very high98Very high5 Ų542.4 Ų42.43%0.03121%0.21CC..EExtended strand (participates in β ladder)trans-132138.6-179.154.30000110T153 V159 V171 G176 C178 R191 S192 Q193T153-T173 WeakPolarHBondContact OG1-CG2 3.37Å; V159-T173 HydrophobicContact CG2-CG2 3.96Å; V171-T173 HydrophobicContact CG1-CG2 4.06Å; T173-G176 WeakPolarHBondContact CB-O 3.42Å; T173-G176 PolarHBondContact OG1-O 3Å; T173-C178 HydrophobicContact CG2-CB 4.3Å; T173-R191 PolarHBondContact N-O 2.85Å; T173-S192 WeakPolarHBondContact O-CA 3.28Å; T173-S192 WeakPolarHBondContact OG1-CA 3.39Å; T173-S192 VanDerWaalsContact OG1-CB 3.29Å; T173-S192 WeakPolarHBondContact OG1-CB 3.46Å; T173-S192 PolarHBondContact OG1-OG 2.78Å; T173-Q193 PolarHBondContact O-N 3.41Å
174E96.8Very high98Very high80 Ų8041 Ų4137%0.37420%0.204SC..SBendtrans-82.1-63174.2-166.5-162.8153.600111.8T153 G155 Q193 G194T153-E174 PolarHBondContact O-N 3.17Å; T153-E174 VanDerWaalsContact O-N 3.08Å; G155-E174 PolarHBondContact N-OE2 3.06Å; E174-Q193 CarbonylContact O-C 3.59Å; E174-Q193 VanDerWaalsContact O-C 3.23Å; E174-Q193 WeakPolarHBondContact O-CB 3.3Å; E174-G194 VanDerWaalsContact O-CA 3.28Å; E174-G194 WeakPolarHBondContact O-CA 3.4Å; E174-G194 PolarHBondContact O-N 2.9Å
175K95.6Very high98Very high139 Ų13941.3 Ų41.360%0.60421%0.207SC*.SBendtrans-127.3-12.9177.9-53178.3-176.5171.50113.3G155 G194 G195G155-K175 WeakPolarHBondContact O-CA 3.29Å; G155-K175 VanDerWaalsContact O-CB 3.28Å; G155-K175 WeakPolarHBondContact O-CB 3.42Å; G155-K175 PolarHBondContact O-N 2.79Å; K175-G194 CarbonylContact C-O 3.56Å; K175-G194 VanDerWaalsContact C-O 3.25Å; K175-G194 WeakPolarHBondContact CA-O 3.37Å; K175-G195 WeakPolarHBondContact O-CA 3.44Å
176G95.7Very high98Very high2 Ų244.3 Ų44.32%0.02122%0.221CC..SBendtrans-73.5156.217800000112.7G155 G157 T173G155-G176 PolarHBondContact O-N 2.84Å; G157-G176 WeakPolarHBondContact O-CA 3.36Å; T173-G176 WeakPolarHBondContact CB-O 3.42Å; T173-G176 PolarHBondContact OG1-O 3Å
177S97.8Very high98.1Very high40 Ų4047.5 Ų47.528%0.2824%0.235SC..  trans-85150.9176.8-62.20000112N158 V159 H196N158-S177 CarbonylContact C-O 3.58Å; N158-S177 VanDerWaalsContact CA-O 3.3Å; N158-S177 WeakPolarHBondContact CA-O 3.3Å; N158-S177 PolarHBondContact OD1-N 2.86Å; V159-S177 PolarHBondContact N-O 2.9Å; S177-H196 CarbonylContact C-O 3.53Å; S177-H196 VanDerWaalsContact CA-O 3.28Å; S177-H196 WeakPolarHBondContact CA-O 3.36Å; S177-H196 WeakPolarHBondContact CB-O 3.31Å; S177-H196 PolarHBondContact OG-N 2.79Å; S177-H196 VanDerWaalsContact OG-N 3.09Å
178C98.6Very high98.2Very high2 Ų242.4 Ų42.41%0.01421%0.208CC..EExtended strand (participates in β ladder)trans-113.9124.9175.8178.80000110.3V159 V171 T173 V190 H196 V197 T198V159-C178 CarbonylContact O-C 3.31Å; V159-C178 WeakPolarHBondContact O-CA 3.2Å; V171-C178 HydrophobicContact CG1-CB 4.36Å; T173-C178 HydrophobicContact CG2-CB 4.3Å; C178-V190 HydrophobicContact CB-CG1 4.09Å; C178-H196 PolarHBondContact N-O 2.75Å; C178-V197 HydrophobicContact CB-CG2 4.42Å; C178-V197 CarbonylContact O-C 3.55Å; C178-V197 WeakPolarHBondContact O-CA 2.93Å; C178-T198 PolarHBondContact O-N 3.42Å
179L98.8Very high98.2Very high37 Ų3741.8 Ų41.819%0.19420%0.203CC..EExtended strand (participates in β ladder)trans-114.8115.2174.3175.970.8000109.9V159 Q160 V161 T198 L200V159-L179 PolarHBondContact O-N 2.84Å; Q160-L179 CarbonylContact C-O 3.53Å; Q160-L179 WeakPolarHBondContact CA-O 3.13Å; Q160-L179 HydrophobicContact CB-CB 4.45Å; Q160-L179 HydrophobicContact CB-CD2 4.48Å; Q160-L179 HydrophobicContact CG-CB 4.15Å; Q160-L179 HydrophobicContact CG-CD2 4.18Å; V161-L179 PolarHBondContact N-O 3.28Å; L179-T198 WeakPolarHBondContact CA-O 3.15Å; L179-T198 HydrophobicContact CD1-CG2 3.83Å; L179-L200 HydrophobicContact CD1-CD1 3.7Å; L179-L200 HydrophobicContact CD1-CG 3.72Å
180L98.8Very high98.2Very high0 Ų041.8 Ų41.80%020%0.203CC..EExtended strand (participates in β ladder)trans-104.2122.2169-58.2-174.8000109.2V161 V171 V183 V188 V190 T198 G199 L200 I203V161-L180 HydrophobicContact CB-CD2 3.79Å; V161-L180 HydrophobicContact CG2-CD2 4.03Å; V171-L180 HydrophobicContact CG2-CD2 4.48Å; L180-V183 HydrophobicContact CB-CG2 4.11Å; L180-V183 HydrophobicContact CD2-CG2 4.37Å; L180-V188 HydrophobicContact CD1-CG1 3.71Å; L180-V190 HydrophobicContact CD1-CG2 3.65Å; L180-V190 HydrophobicContact CG-CG2 4.42Å; L180-T198 PolarHBondContact N-O 2.94Å; L180-G199 CarbonylContact O-C 3.59Å; L180-G199 WeakPolarHBondContact O-CA 3.42Å; L180-L200 PolarHBondContact O-N 2.78Å; L180-I203 HydrophobicContact CB-CD1 4.05Å; L180-I203 HydrophobicContact CB-CG1 4.32Å; L180-I203 HydrophobicContact CD1-CD1 4.04Å
181H98.6Very high98.2Very high63 Ų6345.1 Ų45.129%0.29221%0.214SC..EExtended strand (participates in β ladder)trans-120.7107.1179.7-175.8-169.9000111.5V161 K162 K163 V183 L200V161-H181 PolarHBondContact O-N 2.92Å; K162-H181 CarbonylContact C-O 3.49Å; K162-H181 WeakPolarHBondContact CA-O 3.23Å; K162-H181 HydrophobicContact CB-CB 4.46Å; K162-H181 HydrophobicContact CG-CB 4.1Å; K163-H181 PolarHBondContact N-O 2.9Å; H181-V183 VanDerWaalsContact C-N 3.33Å; H181-V183 PolarHBondContact O-N 2.93Å; H181-L200 CarbonylContact C-O 3.55Å; H181-L200 WeakPolarHBondContact CA-O 3.46Å; H181-L200 HydrophobicContact CB-CB 4.17Å
182S98.6Very high98.1Very high43 Ų4345.1 Ų45.130%0.30121%0.214SC..SBendtrans5545.3177.2-58.20000113.3K163 L200 T202K163-S182 WeakPolarHBondContact CA-O 3.49Å; S182-L200 PolarHBondContact N-O 2.93Å; S182-T202 CarbonylContact C-O 3.57Å; S182-T202 VanDerWaalsContact CA-O 3.25Å; S182-T202 WeakPolarHBondContact CA-O 3.44Å
183V98.6Very high98.1Very high0 Ų045.9 Ų45.90%022%0.218CC..  trans-84.9136.2-179.5176.30000109.9V161 C169 L180 H181 T202 I203 H204V161-V183 HydrophobicContact CB-CG2 4.16Å; V161-V183 HydrophobicContact CG1-CG2 3.82Å; C169-V183 HydrophobicContact CB-CG1 4.34Å; L180-V183 HydrophobicContact CB-CG2 4.11Å; L180-V183 HydrophobicContact CD2-CG2 4.37Å; H181-V183 VanDerWaalsContact C-N 3.33Å; H181-V183 PolarHBondContact O-N 2.93Å; V183-T202 PolarHBondContact N-O 2.8Å; V183-I203 WeakPolarHBondContact O-CA 3.43Å; V183-H204 PolarHBondContact O-N 2.96Å
184K98.6Very high97.7Very high106 Ų10646.4 Ų46.446%0.46122%0.223SC..EExtended strand (participates in β ladder)trans-119.4123.9171.3-57.8180-171.3168.40108.8M164 E165 S166 H204M164-K184 PolarHBondContact O-N 2.94Å; E165-K184 CarbonylContact C-O 3.56Å; E165-K184 WeakPolarHBondContact CA-O 3.44Å; E165-K184 HydrophobicContact CB-CB 4.37Å; E165-K184 HydrophobicContact CG-CB 4Å; E165-K184 HydrophobicContact CG-CD 4.33Å; E165-K184 IonicContact OE2-NZ 3Å; S166-K184 PolarHBondContact N-O 3.18Å; K184-H204 HydrophobicContact CB-CB 4.16Å; K184-H204 HydrophobicContact CG-CB 3.92Å
185A98.3Very high97.6Very high7 Ų743.5 Ų43.56%0.05822%0.215CC..EExtended strand (participates in β ladder)trans-144.5164.9169.300000111.2S166 C169 Q187 V188 H204 G205S166-A185 WeakPolarHBondContact O-CA 3.43Å; C169-A185 HydrophobicContact CB-CB 4.24Å; A185-Q187 VanDerWaalsContact C-N 3.34Å; A185-Q187 WeakPolarHBondContact CB-O 3.49Å; A185-V188 HydrophobicContact CB-CG2 3.77Å; A185-H204 PolarHBondContact N-O 3.4Å; A185-H204 CarbonylContact O-C 3.57Å; A185-G205 WeakPolarHBondContact O-CA 3.25Å
186H98.3Very high97.7Very high127 Ų12741.2 Ų41.259%0.58821%0.206SC*.EExtended strand (participates in β ladder)trans-67.8-41.3165.9-174.872.9000110.3S166 D167 N206S166-H186 PolarHBondContact O-N 2.84Å; D167-H186 WeakPolarHBondContact O-CA 3.45Å; D167-H186 WeakPolarHBondContact O-CB 3.34Å; D167-H186 PolarHBondContact O-N 2.86Å; H186-N206 WeakPolarHBondContact O-CB 3.25Å; H186-N206 PolarHBondContact O-N 3.18Å
187Q98.6Very high97.8Very high74 Ų7441.2 Ų41.235%0.34621%0.206SC..EExtended strand (participates in β ladder)trans-127125.5175.7-176.8175.23.300111.2D167 V168 C169 A185 N206D167-Q187 PolarHBondContact O-N 2.87Å; V168-Q187 WeakPolarHBondContact CA-O 3.42Å; C169-Q187 PolarHBondContact N-O 2.91Å; A185-Q187 VanDerWaalsContact C-N 3.34Å; A185-Q187 WeakPolarHBondContact CB-O 3.49Å; Q187-N206 WeakPolarHBondContact CA-O 3.33Å
188V98.8Very high97.9Very high0 Ų041.4 Ų41.40%021%0.206CC..EExtended strand (participates in β ladder)trans-117.7120.8171.3-177.40000108.4C169 L180 A185 I203 N206 V207 D208C169-V188 CarbonylContact O-C 3.56Å; C169-V188 WeakPolarHBondContact O-CA 3.39Å; L180-V188 HydrophobicContact CD1-CG1 3.71Å; A185-V188 HydrophobicContact CB-CG2 3.77Å; V188-I203 HydrophobicContact CB-CG2 4.23Å; V188-I203 HydrophobicContact CG1-CG2 3.99Å; V188-I203 HydrophobicContact CG2-CG2 3.95Å; V188-N206 PolarHBondContact N-O 2.92Å; V188-V207 HydrophobicContact CB-CG2 4.24Å; V188-V207 CarbonylContact O-C 3.51Å; V188-V207 WeakPolarHBondContact O-CA 3.31Å; V188-D208 PolarHBondContact O-N 2.83Å
189E98.9Very high97.9Very high16 Ų1641.3 Ų41.38%0.07521%0.205CC..EExtended strand (participates in β ladder)trans-126.4125.2179.4-171.2177.4164.400109.9C169 K170 V171 R191 D208C169-E189 PolarHBondContact O-N 3Å; K170-E189 CarbonylContact C-O 3.56Å; K170-E189 VanDerWaalsContact CA-O 3.3Å; K170-E189 WeakPolarHBondContact CA-O 3.39Å; K170-E189 HydrophobicContact CB-CB 4.45Å; K170-E189 HydrophobicContact CD-CB 4.34Å; K170-E189 WeakPolarHBondContact CD-OE2 3.32Å; K170-E189 WeakPolarHBondContact CE-OE2 3.4Å; K170-E189 HydrophobicContact CG-CB 4.04Å; K170-E189 IonicContact NZ-OE2 3.86Å; K170-E189 PolarHBondContact NZ-OE2 2.99Å; V171-E189 PolarHBondContact N-O 3.48Å; E189-R191 IonicContact OE1-CZ 3.93Å; E189-R191 IonicContact OE1-NE 2.79Å; E189-R191 PolarHBondContact OE1-NE 3.09Å; E189-R191 IonicContact OE1-NH2 2.83Å; E189-R191 PolarHBondContact OE1-NH2 2.89Å; E189-D208 CarbonylContact C-O 3.59Å; E189-D208 VanDerWaalsContact CA-O 3.27Å; E189-D208 WeakPolarHBondContact CA-O 3.42Å; E189-D208 HydrophobicContact CG-CB 4.47Å
190V98.8Very high97.8Very high0 Ų042.1 Ų42.10%021%0.209CC..EExtended strand (participates in β ladder)trans-126.6119.6174.4-175.30000109.1V171 C178 L180 V197 D208 I209 S210V171-V190 HydrophobicContact CB-CG2 4.5Å; V171-V190 CarbonylContact O-C 3.52Å; V171-V190 WeakPolarHBondContact O-CA 3.28Å; C178-V190 HydrophobicContact CB-CG1 4.09Å; L180-V190 HydrophobicContact CD1-CG2 3.65Å; L180-V190 HydrophobicContact CG-CG2 4.42Å; V190-V197 HydrophobicContact CG1-CG1 4.03Å; V190-V197 HydrophobicContact CG1-CG2 3.78Å; V190-D208 PolarHBondContact N-O 3.27Å; V190-I209 HydrophobicContact CB-CG1 4.21Å; V190-I209 HydrophobicContact CG2-CG1 4.4Å; V190-I209 CarbonylContact O-C 3.54Å; V190-I209 WeakPolarHBondContact O-CA 3.49Å; V190-S210 PolarHBondContact O-N 2.7Å
191R98.6Very high97.8Very high125 Ų12543.3 Ų43.347%0.47222%0.221SC..EExtended strand (participates in β ladder)trans-115.5129170.7-57.5-172.6-172.4-161.8-1.5109.9V171 Q172 T173 E189 S210V171-R191 PolarHBondContact O-N 3.32Å; Q172-R191 CarbonylContact C-O 3.57Å; Q172-R191 VanDerWaalsContact CA-O 3.25Å; Q172-R191 WeakPolarHBondContact CA-O 3.24Å; Q172-R191 HydrophobicContact CG-CB 4.29Å; T173-R191 PolarHBondContact N-O 2.85Å; E189-R191 IonicContact OE1-CZ 3.93Å; E189-R191 IonicContact OE1-NE 2.79Å; E189-R191 PolarHBondContact OE1-NE 3.09Å; E189-R191 IonicContact OE1-NH2 2.83Å; E189-R191 PolarHBondContact OE1-NH2 2.89Å; R191-S210 CarbonylContact C-O 3.55Å; R191-S210 WeakPolarHBondContact CA-O 3.33Å
192S97.4Very high97.8Very high1 Ų142.3 Ų42.31%0.00722%0.22CC..EExtended strand (participates in β ladder)trans-130.1123.4178.4179.40000109.8T173 G194 S210 T211 K212T173-S192 WeakPolarHBondContact O-CA 3.28Å; T173-S192 WeakPolarHBondContact OG1-CA 3.39Å; T173-S192 VanDerWaalsContact OG1-CB 3.29Å; T173-S192 WeakPolarHBondContact OG1-CB 3.46Å; T173-S192 PolarHBondContact OG1-OG 2.78Å; S192-G194 VanDerWaalsContact OG-C 3.29Å; S192-G194 PolarHBondContact OG-N 2.76Å; S192-G194 PolarHBondContact OG-O 2.66Å; S192-S210 PolarHBondContact N-O 2.76Å; S192-T211 CarbonylContact O-C 3.52Å; S192-T211 WeakPolarHBondContact O-CA 3.3Å; S192-K212 PolarHBondContact O-N 3.35Å
193Q97.3Very high97.8Very high97 Ų9740.3 Ų40.345%0.45321%0.206SC..SBendtrans-80.3-13.4170.5-53.6-58.6-54.300111.8T173 E174T173-Q193 PolarHBondContact O-N 3.41Å; E174-Q193 CarbonylContact O-C 3.59Å; E174-Q193 VanDerWaalsContact O-C 3.23Å; E174-Q193 WeakPolarHBondContact O-CB 3.3Å
194G90.8Very high97.8Very high15 Ų1543.9 Ų43.916%0.15522%0.222CC..SBendtrans178153.4-17200000110.1E174 K175 S192 S215E174-G194 VanDerWaalsContact O-CA 3.28Å; E174-G194 WeakPolarHBondContact O-CA 3.4Å; E174-G194 PolarHBondContact O-N 2.9Å; K175-G194 CarbonylContact C-O 3.56Å; K175-G194 VanDerWaalsContact C-O 3.25Å; K175-G194 WeakPolarHBondContact CA-O 3.37Å; S192-G194 VanDerWaalsContact OG-C 3.29Å; S192-G194 PolarHBondContact OG-N 2.76Å; S192-G194 PolarHBondContact OG-O 2.66Å; G194-S215 VanDerWaalsContact CA-OG 3.32Å; G194-S215 WeakPolarHBondContact CA-OG 3.5Å
195G93.6Very high97.7Very high19 Ų1939.1 Ų39.120%0.19620%0.203CC..SBendtrans96178.6-171.600000111.9K175 S215K175-G195 WeakPolarHBondContact O-CA 3.44Å; G195-S215 PolarHBondContact N-OG 3.41Å; G195-S215 WeakPolarHBondContact O-CA 3.38Å; G195-S215 WeakPolarHBondContact O-CB 3.39Å; G195-S215 PolarHBondContact O-OG 3.31Å
196H97.9Very high97.8Very high92 Ų9241.2 Ų41.243%0.42621%0.214SC..  trans-107.1147.3-175.3-58.9-30.5000111.7S177 C178 V216S177-H196 CarbonylContact C-O 3.53Å; S177-H196 VanDerWaalsContact CA-O 3.28Å; S177-H196 WeakPolarHBondContact CA-O 3.36Å; S177-H196 WeakPolarHBondContact CB-O 3.31Å; S177-H196 PolarHBondContact OG-N 2.79Å; S177-H196 VanDerWaalsContact OG-N 3.09Å; C178-H196 PolarHBondContact N-O 2.75Å; H196-V216 WeakPolarHBondContact CA-O 3.35Å; H196-V216 PolarHBondContact ND1-N 2.8Å
197V98.8Very high97.8Very high1 Ų135.3 Ų35.31%0.00619%0.186CC..EExtended strand (participates in β ladder)trans-107114.3171.8-178.50000108.7C178 V190 I209 T211 V216 V217 D218C178-V197 HydrophobicContact CB-CG2 4.42Å; C178-V197 CarbonylContact O-C 3.55Å; C178-V197 WeakPolarHBondContact O-CA 2.93Å; V190-V197 HydrophobicContact CG1-CG1 4.03Å; V190-V197 HydrophobicContact CG1-CG2 3.78Å; V197-I209 HydrophobicContact CB-CG2 4.35Å; V197-I209 HydrophobicContact CG1-CD1 4.46Å; V197-I209 HydrophobicContact CG1-CG2 3.99Å; V197-I209 HydrophobicContact CG2-CG2 4.4Å; V197-T211 HydrophobicContact CB-CG2 4.36Å; V197-T211 HydrophobicContact CG2-CG2 3.59Å; V197-V216 PolarHBondContact N-O 2.91Å; V197-V217 HydrophobicContact CB-CG2 4.33Å; V197-V217 WeakPolarHBondContact O-CA 3.34Å; V197-D218 PolarHBondContact O-N 2.86Å
198T98.8Very high97.8Very high45 Ų4534.5 Ų34.528%0.27618%0.184SC..EExtended strand (participates in β ladder)trans-115.2124.3179.9-56.10000110.8C178 L179 L180 L200 D218C178-T198 PolarHBondContact O-N 3.42Å; L179-T198 WeakPolarHBondContact CA-O 3.15Å; L179-T198 HydrophobicContact CD1-CG2 3.83Å; L180-T198 PolarHBondContact N-O 2.94Å; T198-L200 HydrophobicContact CG2-CD2 4.06Å; T198-L200 HydrophobicContact CG2-CG 4.19Å; T198-D218 CarbonylContact C-O 3.59Å; T198-D218 WeakPolarHBondContact CA-O 3.29Å
199G98.6Very high97.8Very high0 Ų034.5 Ų34.50%018%0.184CC..EExtended strand (participates in β ladder)trans-106.6104.1174.100000111.5L180 D218 K220L180-G199 CarbonylContact O-C 3.59Å; L180-G199 WeakPolarHBondContact O-CA 3.42Å; G199-D218 PolarHBondContact N-O 2.87Å; G199-K220 PolarHBondContact O-N 2.78Å
200L97.8Very high97.8Very high53 Ų5335.5 Ų35.528%0.27719%0.193SC..EExtended strand (participates in β ladder)trans-92.8140.9172.7-61.4-177.5000110.9L179 L180 H181 S182 T198 K220L179-L200 HydrophobicContact CD1-CD1 3.7Å; L179-L200 HydrophobicContact CD1-CG 3.72Å; L180-L200 PolarHBondContact O-N 2.78Å; H181-L200 CarbonylContact C-O 3.55Å; H181-L200 WeakPolarHBondContact CA-O 3.46Å; H181-L200 HydrophobicContact CB-CB 4.17Å; S182-L200 PolarHBondContact N-O 2.93Å; T198-L200 HydrophobicContact CG2-CD2 4.06Å; T198-L200 HydrophobicContact CG2-CG 4.19Å; L200-K220 HydrophobicContact CD2-CD 4.3Å
201G97.8Very high97.8Very high25 Ų2535.6 Ų35.626%0.25819%0.194SC..EExtended strand (participates in β ladder)trans69.3-140.6-176.800000111.8K221G201-K221 PolarHBondContact O-N 3.27Å
202T98.4Very high97.7Very high43 Ų4334.3 Ų34.326%0.26419%0.192SC..EExtended strand (participates in β ladder)trans-107.2125.6179.6-53.90000110.1S182 V183 K221 Q223S182-T202 CarbonylContact C-O 3.57Å; S182-T202 VanDerWaalsContact CA-O 3.25Å; S182-T202 WeakPolarHBondContact CA-O 3.44Å; V183-T202 PolarHBondContact N-O 2.8Å; T202-K221 WeakPolarHBondContact CA-O 3.16Å; T202-K221 HydrophobicContact CG2-CD 4.19Å; T202-K221 HydrophobicContact CG2-CG 4.13Å; T202-K221 WeakPolarHBondContact OG1-CD 3.13Å; T202-Q223 HydrophobicContact CG2-CB 3.97Å
203I98.8Very high97.7Very high1 Ų135.4 Ų35.41%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-92.7116.4163.1-55.4171.4000106.6L180 V183 V188 V207 V219 K221 L222 Q223L180-I203 HydrophobicContact CB-CD1 4.05Å; L180-I203 HydrophobicContact CB-CG1 4.32Å; L180-I203 HydrophobicContact CD1-CD1 4.04Å; V183-I203 WeakPolarHBondContact O-CA 3.43Å; V188-I203 HydrophobicContact CB-CG2 4.23Å; V188-I203 HydrophobicContact CG1-CG2 3.99Å; V188-I203 HydrophobicContact CG2-CG2 3.95Å; I203-V207 HydrophobicContact CG2-CG2 3.81Å; I203-V219 HydrophobicContact CD1-CG1 4.08Å; I203-K221 PolarHBondContact N-O 2.87Å; I203-L222 HydrophobicContact CB-CD2 3.82Å; I203-L222 HydrophobicContact CD1-CD2 4.12Å; I203-L222 HydrophobicContact CG1-CD2 4.42Å; I203-L222 HydrophobicContact CG2-CD2 4.41Å; I203-Q223 PolarHBondContact O-N 2.82Å
204H98.6Very high97.7Very high74 Ų7436.8 Ų36.834%0.34321%0.213SC..EExtended strand (participates in β ladder)trans-106.7131.9-179-17288.5000110.6V183 K184 A185 Q223V183-H204 PolarHBondContact O-N 2.96Å; K184-H204 HydrophobicContact CB-CB 4.16Å; K184-H204 HydrophobicContact CG-CB 3.92Å; A185-H204 PolarHBondContact N-O 3.4Å; A185-H204 CarbonylContact O-C 3.57Å; H204-Q223 CarbonylContact C-O 3.46Å; H204-Q223 WeakPolarHBondContact CA-O 3.45Å; H204-Q223 PolarHBondContact ND1-O 2.83Å
205G98.2Very high98Very high6 Ų636.2 Ų36.26%0.06221%0.207CC..EExtended strand (participates in β ladder)trans140-172.317900000114.3A185 Q223 M227A185-G205 WeakPolarHBondContact O-CA 3.25Å; G205-Q223 PolarHBondContact N-O 2.86Å; G205-M227 WeakPolarHBondContact O-CE 3.41Å
206N98.4Very high98.2Very high52 Ų5237.8 Ų37.828%0.27821%0.213SC..EExtended strand (participates in β ladder)trans-80113161.7-66.9-36.5000108.4H186 Q187 V188 T225 R226H186-N206 WeakPolarHBondContact O-CB 3.25Å; H186-N206 PolarHBondContact O-N 3.18Å; Q187-N206 WeakPolarHBondContact CA-O 3.33Å; V188-N206 PolarHBondContact N-O 2.92Å; N206-T225 WeakPolarHBondContact OD1-CB 3.4Å; N206-R226 WeakPolarHBondContact CA-O 3.44Å; N206-R226 PolarHBondContact OD1-N 3.08Å; N206-R226 VanDerWaalsContact OD1-N 3.16Å
207V98.8Very high98.3Very high3 Ų333.4 Ų33.42%0.01819%0.193CC..EExtended strand (participates in β ladder)trans-107.2130.6-169.4-1780000110.3V188 I203 I209 L222 R226 M227 N228V188-V207 HydrophobicContact CB-CG2 4.24Å; V188-V207 CarbonylContact O-C 3.51Å; V188-V207 WeakPolarHBondContact O-CA 3.31Å; I203-V207 HydrophobicContact CG2-CG2 3.81Å; V207-I209 HydrophobicContact CG1-CD1 3.79Å; V207-I209 HydrophobicContact CG1-CG1 3.77Å; V207-L222 HydrophobicContact CG1-CD2 4.21Å; V207-L222 HydrophobicContact CG2-CD2 4.25Å; V207-R226 PolarHBondContact N-O 2.83Å; V207-M227 HydrophobicContact CB-SD 3.64Å; V207-M227 HydrophobicContact CG2-CE 4.48Å; V207-M227 HydrophobicContact CG2-SD 3.67Å; V207-M227 CarbonylContact O-C 3.55Å; V207-N228 PolarHBondContact O-N 2.88Å
208D98.8Very high98.3Very high56 Ų5636.3 Ų36.330%0.29921%0.208SC..EExtended strand (participates in β ladder)trans-127.8110.8170.7-160.5-50.4000109.1V188 E189 V190 N228V188-D208 PolarHBondContact O-N 2.83Å; E189-D208 CarbonylContact C-O 3.59Å; E189-D208 VanDerWaalsContact CA-O 3.27Å; E189-D208 WeakPolarHBondContact CA-O 3.42Å; E189-D208 HydrophobicContact CG-CB 4.47Å; V190-D208 PolarHBondContact N-O 3.27Å; D208-N228 WeakPolarHBondContact CA-O 3.41Å; D208-N228 PolarHBondContact OD2-ND2 3.43Å
209I98.8Very high98.3Very high0 Ų034.2 Ų34.20%020%0.195CC..EExtended strand (participates in β ladder)trans-118.8123.1177.3-63.8168.6000107.6V190 V197 V207 T211 V217 V219 N228 I229 S230V190-I209 HydrophobicContact CB-CG1 4.21Å; V190-I209 HydrophobicContact CG2-CG1 4.4Å; V190-I209 CarbonylContact O-C 3.54Å; V190-I209 WeakPolarHBondContact O-CA 3.49Å; V197-I209 HydrophobicContact CB-CG2 4.35Å; V197-I209 HydrophobicContact CG1-CD1 4.46Å; V197-I209 HydrophobicContact CG1-CG2 3.99Å; V197-I209 HydrophobicContact CG2-CG2 4.4Å; V207-I209 HydrophobicContact CG1-CD1 3.79Å; V207-I209 HydrophobicContact CG1-CG1 3.77Å; I209-T211 HydrophobicContact CG2-CG2 4.34Å; I209-V217 HydrophobicContact CG2-CG1 4.3Å; I209-V217 HydrophobicContact CG2-CG2 4.13Å; I209-V219 HydrophobicContact CD1-CG2 4.17Å; I209-N228 PolarHBondContact N-O 3.04Å; I209-I229 HydrophobicContact CB-CG2 4.24Å; I209-I229 HydrophobicContact CG2-CG2 4.44Å; I209-I229 CarbonylContact O-C 3.51Å; I209-I229 VanDerWaalsContact O-CA 3.29Å; I209-I229 WeakPolarHBondContact O-CA 3.34Å; I209-S230 PolarHBondContact O-N 3.4Å
210S98.5Very high98.2Very high37 Ų3738.8 Ų38.826%0.25922%0.215SC..EExtended strand (participates in β ladder)trans-133123.6177.2-176.10000110.5V190 R191 S192 S230V190-S210 PolarHBondContact O-N 2.7Å; R191-S210 CarbonylContact C-O 3.55Å; R191-S210 WeakPolarHBondContact CA-O 3.33Å; S192-S210 PolarHBondContact N-O 2.76Å; S210-S230 WeakPolarHBondContact CA-O 3.25Å; S210-S230 WeakPolarHBondContact CA-OG 3.42Å; S210-S230 WeakPolarHBondContact CB-OG 2.99Å; S210-S230 PolarHBondContact OG-OG 2.88Å
211T98.3Very high98.3Very high3 Ų339.3 Ų39.32%0.01822%0.215CC..EExtended strand (participates in β ladder)trans-122.6149.617874.80000111.7S192 V197 I209 S215 V217 S230 T231 E232S192-T211 CarbonylContact O-C 3.52Å; S192-T211 WeakPolarHBondContact O-CA 3.3Å; V197-T211 HydrophobicContact CB-CG2 4.36Å; V197-T211 HydrophobicContact CG2-CG2 3.59Å; I209-T211 HydrophobicContact CG2-CG2 4.34Å; T211-S215 PolarHBondContact OG1-O 3.2Å; T211-V217 HydrophobicContact CG2-CG2 3.49Å; T211-V217 VanDerWaalsContact CG2-CG2 3.49Å; T211-S230 PolarHBondContact N-O 2.92Å; T211-T231 WeakPolarHBondContact OG1-CG2 3.28Å; T211-E232 PolarHBondContact O-N 3.3Å
212K97.9Very high98.3Very high98 Ų9838.1 Ų38.143%0.42620%0.203SC..  trans-116.4168.3176.1-60.8-159.2-168.2160.30112.7S192 S215 E232S192-K212 PolarHBondContact O-N 3.35Å; K212-S215 WeakPolarHBondContact O-CB 3.29Å; K212-S215 PolarHBondContact O-N 3.1Å; K212-S215 PolarHBondContact O-OG 3.46Å; K212-E232 WeakPolarHBondContact CA-OE2 3.27Å; K212-E232 WeakPolarHBondContact CB-OE2 3.37Å
213G96.9Very high98.3Very high24 Ų2439.5 Ų39.525%0.24721%0.206CC..THydrogen-bonded Turntrans56.4-141.7-174.900000111.6S215 E232 H233 G234G213-S215 PolarHBondContact O-N 3.41Å; G213-E232 PolarHBondContact N-OE2 3.27Å; G213-H233 WeakPolarHBondContact O-CB 3.42Å; G213-H233 PolarHBondContact O-N 3.14Å; G213-G234 PolarHBondContact O-N 2.96Å
214D97Very high98.3Very high125 Ų12540.5 Ų40.567%0.66822%0.216SC*.THydrogen-bonded Turntrans-86.921.6-176.7-53.9-50.9000113.7V216 H233D214-V216 PolarHBondContact O-N 2.81Å; D214-H233 WeakPolarHBondContact OD1-CB 3.34Å
215S97.3Very high98.2Very high4 Ų440.2 Ų40.23%0.02822%0.22CC..  trans-69.6117.3-174.2-63.40000112.5G194 G195 T211 K212 G213G194-S215 VanDerWaalsContact CA-OG 3.32Å; G194-S215 WeakPolarHBondContact CA-OG 3.5Å; G195-S215 PolarHBondContact N-OG 3.41Å; G195-S215 WeakPolarHBondContact O-CA 3.38Å; G195-S215 WeakPolarHBondContact O-CB 3.39Å; G195-S215 PolarHBondContact O-OG 3.31Å; T211-S215 PolarHBondContact OG1-O 3.2Å; K212-S215 WeakPolarHBondContact O-CB 3.29Å; K212-S215 PolarHBondContact O-N 3.1Å; K212-S215 PolarHBondContact O-OG 3.46Å; G213-S215 PolarHBondContact O-N 3.41Å
216V98.2Very high98.2Very high51 Ų5145.5 Ų45.531%0.30924%0.238SC..  trans-77.8140176.1177.90000111.9H196 V197 D214 A235H196-V216 WeakPolarHBondContact CA-O 3.35Å; H196-V216 PolarHBondContact ND1-N 2.8Å; V197-V216 PolarHBondContact N-O 2.91Å; D214-V216 PolarHBondContact O-N 2.81Å; V216-A235 WeakPolarHBondContact CA-O 3.37Å; V216-A235 HydrophobicContact CG1-CB 4.5Å
217V98.8Very high98.2Very high0 Ų043.1 Ų43.10%023%0.225CC..EExtended strand (participates in β ladder)trans-112.1119.2169177.90000108.9V197 I209 T211 V219 I229 T231 A235 L236 K237V197-V217 HydrophobicContact CB-CG2 4.33Å; V197-V217 WeakPolarHBondContact O-CA 3.34Å; I209-V217 HydrophobicContact CG2-CG1 4.3Å; I209-V217 HydrophobicContact CG2-CG2 4.13Å; T211-V217 HydrophobicContact CG2-CG2 3.49Å; T211-V217 VanDerWaalsContact CG2-CG2 3.49Å; V217-V219 HydrophobicContact CG1-CG2 3.96Å; V217-I229 HydrophobicContact CG1-CG2 4.13Å; V217-T231 HydrophobicContact CB-CG2 4.21Å; V217-T231 HydrophobicContact CG2-CG2 3.6Å; V217-A235 PolarHBondContact N-O 3.49Å; V217-L236 HydrophobicContact CB-CG 4.42Å; V217-K237 PolarHBondContact O-N 2.88Å
218D98.8Very high98.2Very high63 Ų6344.6 Ų44.634%0.33723%0.233SC..EExtended strand (participates in β ladder)trans-128.6107.8173.2-176.12.1000110.6V197 T198 G199 K237V197-D218 PolarHBondContact O-N 2.86Å; T198-D218 CarbonylContact C-O 3.59Å; T198-D218 WeakPolarHBondContact CA-O 3.29Å; G199-D218 PolarHBondContact N-O 2.87Å; D218-K237 WeakPolarHBondContact CA-O 3.41Å
219V98.8Very high98.2Very high0 Ų042.2 Ų42.20%022%0.22CC..EExtended strand (participates in β ladder)trans-122.6128.4-176.7179.90000111I203 I209 V217 L222 K237 V238 K239I203-V219 HydrophobicContact CD1-CG1 4.08Å; I209-V219 HydrophobicContact CD1-CG2 4.17Å; V217-V219 HydrophobicContact CG1-CG2 3.96Å; V219-L222 HydrophobicContact CG1-CD2 3.58Å; V219-L222 HydrophobicContact CG1-CG 3.84Å; V219-K237 PolarHBondContact N-O 3.45Å; V219-V238 HydrophobicContact CB-CG1 4.27Å; V219-V238 HydrophobicContact CB-CG2 4.34Å; V219-V238 HydrophobicContact CG1-CG1 4.38Å; V219-V238 CarbonylContact O-C 3.45Å; V219-V238 VanDerWaalsContact O-CA 3.25Å; V219-V238 WeakPolarHBondContact O-CA 3.42Å; V219-K239 PolarHBondContact O-N 2.86Å
220K98.3Very high98.2Very high96 Ų9643.6 Ų43.642%0.41723%0.23SC..EExtended strand (participates in β ladder)trans-72.1-51.8178.5-70.8-174.1-179.2178.30112.7G199 L200 K239 A240G199-K220 PolarHBondContact O-N 2.78Å; L200-K220 HydrophobicContact CD2-CD 4.3Å; K220-K239 WeakPolarHBondContact O-CB 3.47Å; K220-A240 PolarHBondContact O-N 2.84Å
221K98.6Very high98.2Very high65 Ų6542 Ų4228%0.28322%0.219SC..EExtended strand (participates in β ladder)trans-150.1131-175.6-177.2175.2165.8-177.70111.8G201 T202 I203 A240 Y242G201-K221 PolarHBondContact O-N 3.27Å; T202-K221 WeakPolarHBondContact CA-O 3.16Å; T202-K221 HydrophobicContact CG2-CD 4.19Å; T202-K221 HydrophobicContact CG2-CG 4.13Å; T202-K221 WeakPolarHBondContact OG1-CD 3.13Å; I203-K221 PolarHBondContact N-O 2.87Å; K221-A240 WeakPolarHBondContact CA-O 3.27Å; K221-A240 HydrophobicContact CG-CB 4.45Å; K221-Y242 HydrophobicContact CD-CD2 4.22Å; K221-Y242 HydrophobicContact CD-CE2 4.02Å; K221-Y242 HydrophobicContact CG-CD2 4.1Å; K221-Y242 HydrophobicContact CG-CE2 4.16Å
222L98.7Very high98.2Very high0 Ų045.1 Ų45.10%023%0.233CC..EExtended strand (participates in β ladder)trans-111.8138.5170.4-63.4-177.8000110I203 V207 V219 M227 I229 V238 A240 V241 Y242I203-L222 HydrophobicContact CB-CD2 3.82Å; I203-L222 HydrophobicContact CD1-CD2 4.12Å; I203-L222 HydrophobicContact CG1-CD2 4.42Å; I203-L222 HydrophobicContact CG2-CD2 4.41Å; V207-L222 HydrophobicContact CG1-CD2 4.21Å; V207-L222 HydrophobicContact CG2-CD2 4.25Å; V219-L222 HydrophobicContact CG1-CD2 3.58Å; V219-L222 HydrophobicContact CG1-CG 3.84Å; L222-M227 HydrophobicContact CB-CE 4.31Å; L222-M227 HydrophobicContact CB-CG 4.34Å; L222-M227 HydrophobicContact CB-SD 3.89Å; L222-M227 HydrophobicContact CD1-CB 4.42Å; L222-M227 HydrophobicContact CD1-CG 4.32Å; L222-M227 HydrophobicContact CD1-SD 4.2Å; L222-I229 HydrophobicContact CD1-CD1 3.43Å; L222-I229 VanDerWaalsContact CD1-CD1 3.43Å; L222-I229 HydrophobicContact CD1-CG1 4.3Å; L222-V238 HydrophobicContact CD1-CG1 4.02Å; L222-V238 HydrophobicContact CG-CG1 4.06Å; L222-A240 PolarHBondContact N-O 2.84Å; L222-V241 HydrophobicContact CB-CG1 4.46Å; L222-V241 HydrophobicContact CD1-CG2 4.48Å; L222-Y242 PolarHBondContact O-N 2.79Å
223Q98.4Very high98.2Very high72 Ų7244.3 Ų44.334%0.33623%0.231SC..EExtended strand (participates in β ladder)trans-146.2127.2178.5-174.6177.2-27.400111.9T202 I203 H204 G205 Y242T202-Q223 HydrophobicContact CG2-CB 3.97Å; I203-Q223 PolarHBondContact O-N 2.82Å; H204-Q223 CarbonylContact C-O 3.46Å; H204-Q223 WeakPolarHBondContact CA-O 3.45Å; H204-Q223 PolarHBondContact ND1-O 2.83Å; G205-Q223 PolarHBondContact N-O 2.86Å; Q223-Y242 VanDerWaalsContact CA-O 3.31Å; Q223-Y242 WeakPolarHBondContact CA-O 3.46Å
224G97.8Very high98.2Very high21 Ų2143.3 Ų43.322%0.21622%0.221CC..SBendtrans163.3-156.1-177.300000111.9M227 Y242 A243G224-M227 VanDerWaalsContact CA-CE 3.48Å; G224-Y242 PolarHBondContact N-O 2.92Å; G224-A243 VanDerWaalsContact O-CA 3.27Å; G224-A243 WeakPolarHBondContact O-CA 3.29Å
225T97.9Very high98.2Very high68 Ų6839.4 Ų39.442%0.41721%0.206SC..SBendtrans-92.9-47.6-180-59.30000111.4N206 E244 S245N206-T225 WeakPolarHBondContact OD1-CB 3.4Å; T225-E244 HydrophobicContact CG2-CB 4.41Å; T225-E244 HydrophobicContact CG2-CG 4.43Å; T225-E244 PolarHBondContact O-N 2.94Å; T225-E244 VanDerWaalsContact O-N 3.09Å; T225-S245 PolarHBondContact O-N 3.21Å; T225-S245 VanDerWaalsContact O-N 3.08Å
226R98.1Very high98.3Very high118 Ų11839.3 Ų39.345%0.44521%0.205SC..EExtended strand (participates in β ladder)trans-128.2133.6-175.9-174.2-179.2173.5110.96.4112.6N206 V207 N228 S245N206-R226 WeakPolarHBondContact CA-O 3.44Å; N206-R226 PolarHBondContact OD1-N 3.08Å; N206-R226 VanDerWaalsContact OD1-N 3.16Å; V207-R226 PolarHBondContact N-O 2.83Å; R226-N228 PolarHBondContact NE-ND2 2.89Å; R226-N228 PolarHBondContact NE-OD1 3Å; R226-N228 PolarHBondContact NH2-OD1 2.88Å; R226-S245 WeakPolarHBondContact CA-O 3.4Å
227M98.4Very high98.3Very high1 Ų140.4 Ų40.41%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-122125.6173.8-51.2-59.1159.700110.5G205 V207 L222 G224 V241 A243 S245 S246 C247G205-M227 WeakPolarHBondContact O-CE 3.41Å; V207-M227 HydrophobicContact CB-SD 3.64Å; V207-M227 HydrophobicContact CG2-CE 4.48Å; V207-M227 HydrophobicContact CG2-SD 3.67Å; V207-M227 CarbonylContact O-C 3.55Å; L222-M227 HydrophobicContact CB-CE 4.31Å; L222-M227 HydrophobicContact CB-CG 4.34Å; L222-M227 HydrophobicContact CB-SD 3.89Å; L222-M227 HydrophobicContact CD1-CB 4.42Å; L222-M227 HydrophobicContact CD1-CG 4.32Å; L222-M227 HydrophobicContact CD1-SD 4.2Å; G224-M227 VanDerWaalsContact CA-CE 3.48Å; M227-V241 HydrophobicContact CB-CG1 4.49Å; M227-V241 HydrophobicContact CG-CG1 3.88Å; M227-A243 HydrophobicContact CE-CB 3.97Å; M227-A243 HydrophobicContact CG-CB 3.69Å; M227-S245 PolarHBondContact N-O 2.92Å; M227-S246 CarbonylContact O-C 3.6Å; M227-S246 VanDerWaalsContact O-CA 3.3Å; M227-S246 WeakPolarHBondContact O-CA 3.22Å; M227-C247 PolarHBondContact O-N 3.3Å
228N98.7Very high98.3Very high35 Ų3540.4 Ų40.419%0.18721%0.206CC..EExtended strand (participates in β ladder)trans-121.6126169.8-62.9-33.8000108.3V207 D208 I209 R226 C247V207-N228 PolarHBondContact O-N 2.88Å; D208-N228 WeakPolarHBondContact CA-O 3.41Å; D208-N228 PolarHBondContact OD2-ND2 3.43Å; I209-N228 PolarHBondContact N-O 3.04Å; R226-N228 PolarHBondContact NE-ND2 2.89Å; R226-N228 PolarHBondContact NE-OD1 3Å; R226-N228 PolarHBondContact NH2-OD1 2.88Å; N228-C247 WeakPolarHBondContact CA-O 3.32Å
229I98.7Very high98.3Very high5 Ų542.8 Ų42.83%0.02621%0.213CC..EExtended strand (participates in β ladder)trans-137.8124.7-179.9-45.3172.3000108.5I209 V217 L222 L236 V238 C247 V248 F249I209-I229 HydrophobicContact CB-CG2 4.24Å; I209-I229 HydrophobicContact CG2-CG2 4.44Å; I209-I229 CarbonylContact O-C 3.51Å; I209-I229 VanDerWaalsContact O-CA 3.29Å; I209-I229 WeakPolarHBondContact O-CA 3.34Å; V217-I229 HydrophobicContact CG1-CG2 4.13Å; L222-I229 HydrophobicContact CD1-CD1 3.43Å; L222-I229 VanDerWaalsContact CD1-CD1 3.43Å; L222-I229 HydrophobicContact CD1-CG1 4.3Å; I229-L236 HydrophobicContact CB-CD1 4.24Å; I229-L236 HydrophobicContact CG2-CD1 3.64Å; I229-L236 HydrophobicContact CG2-CD2 4.29Å; I229-L236 HydrophobicContact CG2-CG 4.01Å; I229-V238 HydrophobicContact CD1-CG2 3.58Å; I229-C247 PolarHBondContact N-O 3.16Å; I229-V248 CarbonylContact O-C 3.58Å; I229-V248 WeakPolarHBondContact O-CA 3.38Å; I229-F249 PolarHBondContact O-N 2.87Å
230S98.5Very high98.2Very high30 Ų3043.5 Ų43.521%0.2122%0.219CC..EExtended strand (participates in β ladder)trans-132.5144176.762.40000113.1I209 S210 T211 F249I209-S230 PolarHBondContact O-N 3.4Å; S210-S230 WeakPolarHBondContact CA-O 3.25Å; S210-S230 WeakPolarHBondContact CA-OG 3.42Å; S210-S230 WeakPolarHBondContact CB-OG 2.99Å; S210-S230 PolarHBondContact OG-OG 2.88Å; T211-S230 PolarHBondContact N-O 2.92Å; S230-F249 VanDerWaalsContact CA-O 3.24Å; S230-F249 WeakPolarHBondContact CA-O 3.34Å
231T98.4Very high98.2Very high3 Ų339.1 Ų39.12%0.01820%0.2CC..EExtended strand (participates in β ladder)trans-130.9151.5172.849.70000108.7T211 V217 G234 L236 F249 S250 C251T211-T231 WeakPolarHBondContact OG1-CG2 3.28Å; V217-T231 HydrophobicContact CB-CG2 4.21Å; V217-T231 HydrophobicContact CG2-CG2 3.6Å; T231-G234 PolarHBondContact OG1-O 2.64Å; T231-L236 HydrophobicContact CG2-CB 3.92Å; T231-L236 HydrophobicContact CG2-CD1 3.97Å; T231-L236 HydrophobicContact CG2-CG 4.16Å; T231-F249 PolarHBondContact N-O 3.12Å; T231-F249 VanDerWaalsContact N-O 3.08Å; T231-S250 WeakPolarHBondContact O-CA 3.33Å; T231-S250 WeakPolarHBondContact OG1-CB 3.36Å; T231-S250 PolarHBondContact OG1-OG 3.38Å; T231-C251 PolarHBondContact O-N 2.66Å
232E98.4Very high98.2Very high69 Ų6940.5 Ų40.532%0.32220%0.204SC..SBendtrans-87.9-65172.8-169.6176.5-165.700110.7T211 K212 G213 C251 S252T211-E232 PolarHBondContact O-N 3.3Å; K212-E232 WeakPolarHBondContact CA-OE2 3.27Å; K212-E232 WeakPolarHBondContact CB-OE2 3.37Å; G213-E232 PolarHBondContact N-OE2 3.27Å; E232-C251 CarbonylContact O-C 3.55Å; E232-C251 VanDerWaalsContact O-CB 3.23Å; E232-C251 WeakPolarHBondContact O-CB 3.35Å; E232-C251 PolarHBondContact O-N 2.72Å; E232-S252 PolarHBondContact O-N 3.19Å
233H97.6Very high98.1Very high80 Ų8041 Ų4137%0.3721%0.208SC..SBendtrans-123.8-17.2-179-54.6-51.9000114.9G213 D214 S252G213-H233 WeakPolarHBondContact O-CB 3.42Å; G213-H233 PolarHBondContact O-N 3.14Å; D214-H233 WeakPolarHBondContact OD1-CB 3.34Å; H233-S252 CarbonylContact C-O 3.51Å; H233-S252 WeakPolarHBondContact CA-O 3.39Å; H233-S252 WeakPolarHBondContact CA-OG 3.31Å; H233-S252 PolarHBondContact ND1-OG 2.9Å; H233-S252 VanDerWaalsContact O-O 3.06Å
234G96.6Very high98.1Very high4 Ų444 Ų444%0.04122%0.222CC..SBendtrans-74.6158.2-17800000113.8G213 T231G213-G234 PolarHBondContact O-N 2.96Å; T231-G234 PolarHBondContact OG1-O 2.64Å
235A98.2Very high98.1Very high43 Ų4345 Ų4536%0.35523%0.226SC..  trans-65.4142.8173.800000111.7V216 V217 R254V216-A235 WeakPolarHBondContact CA-O 3.37Å; V216-A235 HydrophobicContact CG1-CB 4.5Å; V217-A235 PolarHBondContact N-O 3.49Å; A235-R254 WeakPolarHBondContact CA-O 3.48Å
236L98.8Very high98.1Very high1 Ų141.9 Ų41.91%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-119.1117178-169.7163.7000109.3V217 I229 T231 V238 V248 R254 V255 E256 L257V217-L236 HydrophobicContact CB-CG 4.42Å; I229-L236 HydrophobicContact CB-CD1 4.24Å; I229-L236 HydrophobicContact CG2-CD1 3.64Å; I229-L236 HydrophobicContact CG2-CD2 4.29Å; I229-L236 HydrophobicContact CG2-CG 4.01Å; T231-L236 HydrophobicContact CG2-CB 3.92Å; T231-L236 HydrophobicContact CG2-CD1 3.97Å; T231-L236 HydrophobicContact CG2-CG 4.16Å; L236-V238 HydrophobicContact CD2-CG2 3.96Å; L236-V248 HydrophobicContact CD1-CG1 3.59Å; L236-V248 HydrophobicContact CD2-CG1 3.98Å; L236-V248 HydrophobicContact CG-CG1 4.46Å; L236-R254 PolarHBondContact N-O 3.22Å; L236-V255 HydrophobicContact CB-CG2 4.31Å; L236-V255 HydrophobicContact CD2-CG1 4.41Å; L236-V255 CarbonylContact O-C 3.53Å; L236-V255 WeakPolarHBondContact O-CA 3.44Å; L236-E256 PolarHBondContact O-N 2.8Å; L236-L257 HydrophobicContact CD2-CD2 4.14Å
237K98.8Very high98.2Very high74 Ų7438.7 Ų38.732%0.32220%0.202SC..EExtended strand (participates in β ladder)trans-127.4125.8178.8-174174.6-170.71250111.7V217 D218 V219 E256V217-K237 PolarHBondContact O-N 2.88Å; D218-K237 WeakPolarHBondContact CA-O 3.41Å; V219-K237 PolarHBondContact N-O 3.45Å; K237-E256 CarbonylContact C-O 3.51Å; K237-E256 VanDerWaalsContact CA-O 3.31Å; K237-E256 WeakPolarHBondContact CA-O 3.33Å; K237-E256 HydrophobicContact CB-CB 4.42Å; K237-E256 HydrophobicContact CG-CB 4.14Å; K237-E256 IonicContact NZ-OE2 3.53Å; K237-E256 PolarHBondContact NZ-OE2 2.78Å
238V98.6Very high98.2Very high1 Ų139 Ų391%0.00620%0.204CC..EExtended strand (participates in β ladder)trans-132.6115.4170.5-169.50000110.1V219 L222 I229 L236 V241 E256 L257 G258V219-V238 HydrophobicContact CB-CG1 4.27Å; V219-V238 HydrophobicContact CB-CG2 4.34Å; V219-V238 HydrophobicContact CG1-CG1 4.38Å; V219-V238 CarbonylContact O-C 3.45Å; V219-V238 VanDerWaalsContact O-CA 3.25Å; V219-V238 WeakPolarHBondContact O-CA 3.42Å; L222-V238 HydrophobicContact CD1-CG1 4.02Å; L222-V238 HydrophobicContact CG-CG1 4.06Å; I229-V238 HydrophobicContact CD1-CG2 3.58Å; L236-V238 HydrophobicContact CD2-CG2 3.96Å; V238-V241 HydrophobicContact CB-CG2 4.23Å; V238-V241 HydrophobicContact CG1-CG2 3.56Å; V238-E256 PolarHBondContact N-O 3.35Å; V238-L257 HydrophobicContact CB-CD2 4Å; V238-L257 HydrophobicContact CG2-CD2 4.16Å; V238-L257 CarbonylContact O-C 3.5Å; V238-L257 WeakPolarHBondContact O-CA 3.32Å; V238-G258 PolarHBondContact O-N 3.12Å
239K97.9Very high98.2Very high113 Ų11340.6 Ų40.649%0.49121%0.209SC..EExtended strand (participates in β ladder)trans-73.3-30.3-174.4-55.1-174176.4-170.90113.8V219 K220 G258 H259V219-K239 PolarHBondContact O-N 2.86Å; K220-K239 WeakPolarHBondContact O-CB 3.47Å; K239-G258 VanDerWaalsContact O-CA 3.25Å; K239-G258 WeakPolarHBondContact O-CA 3.49Å; K239-H259 PolarHBondContact O-N 3.06Å
240A97.5Very high98.1Very high14 Ų1440.3 Ų40.312%0.11621%0.208CC..EExtended strand (participates in β ladder)trans-153.8136176.300000111.9K220 K221 L222 Y242 H259K220-A240 PolarHBondContact O-N 2.84Å; K221-A240 WeakPolarHBondContact CA-O 3.27Å; K221-A240 HydrophobicContact CG-CB 4.45Å; L222-A240 PolarHBondContact N-O 2.84Å; A240-Y242 HydrophobicContact CB-CD2 4.36Å; A240-Y242 HydrophobicContact CB-CE2 3.66Å; A240-H259 CarbonylContact C-O 3.59Å; A240-H259 WeakPolarHBondContact CA-O 3.3Å
241V98.3Very high98.1Very high4 Ų440.7 Ų40.72%0.02421%0.21CC..EExtended strand (participates in β ladder)trans-125118.9176.4-174.50000109.3L222 M227 V238 A243 S246 H259 V260 H261L222-V241 HydrophobicContact CB-CG1 4.46Å; L222-V241 HydrophobicContact CD1-CG2 4.48Å; M227-V241 HydrophobicContact CB-CG1 4.49Å; M227-V241 HydrophobicContact CG-CG1 3.88Å; V238-V241 HydrophobicContact CB-CG2 4.23Å; V238-V241 HydrophobicContact CG1-CG2 3.56Å; V241-A243 HydrophobicContact CG1-CB 4.07Å; V241-S246 VanDerWaalsContact CG1-OG 3.29Å; V241-S246 WeakPolarHBondContact CG1-OG 3.28Å; V241-H259 PolarHBondContact N-O 2.95Å; V241-V260 HydrophobicContact CB-CB 4.47Å; V241-V260 HydrophobicContact CB-CG1 4.13Å; V241-V260 HydrophobicContact CG2-CG1 4.19Å; V241-H261 PolarHBondContact O-N 2.84Å
242Y97.9Very high98.1Very high95 Ų9542 Ų4237%0.37322%0.22SC..EExtended strand (participates in β ladder)trans-114.586.2174.7-61.8-85.9000108.8K221 L222 Q223 G224 A240 H261K221-Y242 HydrophobicContact CD-CD2 4.22Å; K221-Y242 HydrophobicContact CD-CE2 4.02Å; K221-Y242 HydrophobicContact CG-CD2 4.1Å; K221-Y242 HydrophobicContact CG-CE2 4.16Å; L222-Y242 PolarHBondContact O-N 2.79Å; Q223-Y242 VanDerWaalsContact CA-O 3.31Å; Q223-Y242 WeakPolarHBondContact CA-O 3.46Å; G224-Y242 PolarHBondContact N-O 2.92Å; A240-Y242 HydrophobicContact CB-CD2 4.36Å; A240-Y242 HydrophobicContact CB-CE2 3.66Å; Y242-H261 AromaticContact CD1-CD2 3.36Å; Y242-H261 WeakPolarHBondContact CD1-CD2 3.34Å; Y242-H261 AromaticContact CD1-NE2 3.87Å; Y242-H261 AromaticContact CE1-CD2 3.36Å; Y242-H261 WeakPolarHBondContact CE1-CD2 3.47Å; Y242-H261 AromaticContact CE1-NE2 3.42Å; Y242-H261 WeakPolarHBondContact CE1-NE2 3.47Å
243A97.6Very high98Very high11 Ų1139.7 Ų39.79%0.09121%0.214CC..EExtended strand (participates in β ladder)trans-137167.7-177.300000112.5G224 M227 V241 H261 G262G224-A243 VanDerWaalsContact O-CA 3.27Å; G224-A243 WeakPolarHBondContact O-CA 3.29Å; M227-A243 HydrophobicContact CE-CB 3.97Å; M227-A243 HydrophobicContact CG-CB 3.69Å; V241-A243 HydrophobicContact CG1-CB 4.07Å; A243-H261 CarbonylContact O-C 3.56Å; A243-H261 VanDerWaalsContact O-C 3.31Å; A243-G262 VanDerWaalsContact O-CA 3.27Å; A243-G262 WeakPolarHBondContact O-CA 3.39Å; A243-G262 PolarHBondContact O-N 2.72Å
244E97.4Very high98.1Very high134 Ų13441.4 Ų41.463%0.62622%0.218SC*.EExtended strand (participates in β ladder)trans-80.1-38.4167.4-65.9177.4-162.200110.5T225 G262 N263T225-E244 HydrophobicContact CG2-CB 4.41Å; T225-E244 HydrophobicContact CG2-CG 4.43Å; T225-E244 PolarHBondContact O-N 2.94Å; T225-E244 VanDerWaalsContact O-N 3.09Å; E244-G262 WeakPolarHBondContact O-CA 3.44Å; E244-N263 PolarHBondContact O-N 3.15Å
245S97.9Very high98.2Very high41 Ų4141.2 Ų41.229%0.28722%0.216SC..EExtended strand (participates in β ladder)trans-140.5139.5178.562.10000112.4T225 R226 M227 N263T225-S245 PolarHBondContact O-N 3.21Å; T225-S245 VanDerWaalsContact O-N 3.08Å; R226-S245 WeakPolarHBondContact CA-O 3.4Å; M227-S245 PolarHBondContact N-O 2.92Å; S245-N263 CarbonylContact C-O 3.57Å; S245-N263 VanDerWaalsContact CA-O 3.29Å; S245-N263 WeakPolarHBondContact CA-O 3.27Å
246S98.4Very high98.2Very high4 Ų441.5 Ų41.53%0.02821%0.209CC..EExtended strand (participates in β ladder)trans-137132.5177.6-55.90000111.3M227 V241 N263 T264 T265M227-S246 CarbonylContact O-C 3.6Å; M227-S246 VanDerWaalsContact O-CA 3.3Å; M227-S246 WeakPolarHBondContact O-CA 3.22Å; V241-S246 VanDerWaalsContact CG1-OG 3.29Å; V241-S246 WeakPolarHBondContact CG1-OG 3.28Å; S246-N263 PolarHBondContact N-O 2.92Å; S246-T264 CarbonylContact O-C 3.54Å; S246-T264 WeakPolarHBondContact O-CA 3.44Å; S246-T265 PolarHBondContact O-N 2.86Å
247C98.6Very high98.2Very high51 Ų5141.6 Ų41.635%0.34521%0.21SC..EExtended strand (participates in β ladder)trans-120.5124.6172.2-65.50000109.3M227 N228 I229 T265M227-C247 PolarHBondContact O-N 3.3Å; N228-C247 WeakPolarHBondContact CA-O 3.32Å; I229-C247 PolarHBondContact N-O 3.16Å; C247-T265 WeakPolarHBondContact CA-O 3.44Å
248V98.8Very high98.1Very high8 Ų838.5 Ų38.55%0.04820%0.199CC..EExtended strand (participates in β ladder)trans-121.8130178.2179.80000108.7I229 L236 V255 L257 T265 V266 E267I229-V248 CarbonylContact O-C 3.58Å; I229-V248 WeakPolarHBondContact O-CA 3.38Å; L236-V248 HydrophobicContact CD1-CG1 3.59Å; L236-V248 HydrophobicContact CD2-CG1 3.98Å; L236-V248 HydrophobicContact CG-CG1 4.46Å; V248-V255 HydrophobicContact CG1-CG1 3.99Å; V248-L257 HydrophobicContact CG2-CD1 4.1Å; V248-L257 HydrophobicContact CG2-CD2 4.28Å; V248-T265 PolarHBondContact N-O 2.96Å; V248-V266 HydrophobicContact CB-CG1 4.24Å; V248-V266 HydrophobicContact CB-CG2 4.25Å; V248-V266 HydrophobicContact CG1-CG1 4.24Å; V248-V266 CarbonylContact O-C 3.49Å; V248-V266 WeakPolarHBondContact O-CA 3.29Å; V248-E267 PolarHBondContact O-N 2.92Å
249F98.6Very high97.9Very high67 Ų6740.8 Ų40.829%0.29421%0.21SC..EExtended strand (participates in β ladder)trans-130.7140.8179.8177.3-93000111.8I229 S230 T231 C251 E267I229-F249 PolarHBondContact O-N 2.87Å; S230-F249 VanDerWaalsContact CA-O 3.24Å; S230-F249 WeakPolarHBondContact CA-O 3.34Å; T231-F249 PolarHBondContact N-O 3.12Å; T231-F249 VanDerWaalsContact N-O 3.08Å; F249-C251 VanDerWaalsContact CE1-SG 3.55Å; F249-E267 CarbonylContact C-O 3.59Å; F249-E267 VanDerWaalsContact CA-O 3.24Å; F249-E267 WeakPolarHBondContact CA-O 3.26Å; F249-E267 HydrophobicContact CD2-CB 3.91Å
250S98.4Very high97.9Very high0 Ų035.5 Ų35.50%019%0.187CC..EExtended strand (participates in β ladder)trans-147.9133.7170-167.90000111.1T231 S252 E267 N268 E269T231-S250 WeakPolarHBondContact O-CA 3.33Å; T231-S250 WeakPolarHBondContact OG1-CB 3.36Å; T231-S250 PolarHBondContact OG1-OG 3.38Å; S250-S252 PolarHBondContact OG-O 2.89Å; S250-E267 PolarHBondContact N-O 3.26Å; S250-N268 CarbonylContact O-C 3.6Å; S250-N268 WeakPolarHBondContact O-CA 3.41Å; S250-E269 PolarHBondContact O-N 3.27Å
251C98.3Very high97.7Very high37 Ų3738.5 Ų38.525%0.2520%0.198CC..EExtended strand (participates in β ladder)trans-75-43.9171.3-49.20000110T231 E232 F249 E269 S270T231-C251 PolarHBondContact O-N 2.66Å; E232-C251 CarbonylContact O-C 3.55Å; E232-C251 VanDerWaalsContact O-CB 3.23Å; E232-C251 WeakPolarHBondContact O-CB 3.35Å; E232-C251 PolarHBondContact O-N 2.72Å; F249-C251 VanDerWaalsContact CE1-SG 3.55Å; C251-E269 WeakPolarHBondContact O-CB 3.45Å; C251-S270 PolarHBondContact O-N 3.35Å
252S97.3Very high97.6Very high32 Ų3239 Ų3922%0.22420%0.204CC..EExtended strand (participates in β ladder)trans-150.6157.1169.466.70000112.8E232 H233 S250 S270E232-S252 PolarHBondContact O-N 3.19Å; H233-S252 CarbonylContact C-O 3.51Å; H233-S252 WeakPolarHBondContact CA-O 3.39Å; H233-S252 WeakPolarHBondContact CA-OG 3.31Å; H233-S252 PolarHBondContact ND1-OG 2.9Å; H233-S252 VanDerWaalsContact O-O 3.06Å; S250-S252 PolarHBondContact OG-O 2.89Å; S252-S270 CarbonylContact C-O 3.57Å; S252-S270 WeakPolarHBondContact CA-O 3.4Å; S252-S270 WeakPolarHBondContact CB-O 2.97Å
253G97.4Very high97.6Very high20 Ų2039 Ų3921%0.20621%0.21CC..SBendtrans119.6170.2177.900000111.8N268 S270G253-N268 PolarHBondContact O-ND2 2.83Å; G253-N268 PolarHBondContact O-OD1 2.96Å; G253-S270 PolarHBondContact N-O 2.88Å
254R98.4Very high97.6Very high116 Ų11638.5 Ų38.544%0.43821%0.206SC..  trans-81.2129.8-179.7-167.2179-171.6-15810.6110.2A235 L236 E256 D272A235-R254 WeakPolarHBondContact CA-O 3.48Å; L236-R254 PolarHBondContact N-O 3.22Å; R254-E256 WeakPolarHBondContact CD-OE1 3.4Å; R254-E256 HydrophobicContact CG-CG 4.23Å; R254-E256 IonicContact CZ-OE1 2.67Å; R254-E256 VanDerWaalsContact CZ-OE1 3.3Å; R254-E256 IonicContact NE-OE1 3.18Å; R254-E256 IonicContact NH1-OE1 2.86Å; R254-E256 PolarHBondContact NH1-OE1 2.91Å; R254-D272 WeakPolarHBondContact CA-O 3.37Å; R254-D272 HydrophobicContact CG-CB 4.36Å; R254-D272 WeakPolarHBondContact CG-O 3.34Å
255V98.8Very high97.7Very high0 Ų034 Ų340%019%0.188CC..EExtended strand (participates in β ladder)trans-104.8120.3172.2175.80000109.1L236 V248 L257 V266 N268 D272 T273 V274L236-V255 HydrophobicContact CB-CG2 4.31Å; L236-V255 HydrophobicContact CD2-CG1 4.41Å; L236-V255 CarbonylContact O-C 3.53Å; L236-V255 WeakPolarHBondContact O-CA 3.44Å; V248-V255 HydrophobicContact CG1-CG1 3.99Å; V255-L257 HydrophobicContact CG1-CG 4.27Å; V255-V266 HydrophobicContact CG1-CG1 3.99Å; V255-N268 HydrophobicContact CG2-CB 4.13Å; V255-N268 WeakPolarHBondContact CG2-ND2 3.39Å; V255-D272 PolarHBondContact N-O 2.8Å; V255-T273 HydrophobicContact CB-CG2 4.27Å; V255-T273 HydrophobicContact CG1-CG2 4.27Å; V255-T273 CarbonylContact O-C 3.25Å; V255-T273 WeakPolarHBondContact O-CA 3.48Å; V255-V274 PolarHBondContact O-N 2.86Å
256E98.8Very high97.7Very high48 Ų4832.1 Ų32.122%0.22418%0.175CC..EExtended strand (participates in β ladder)trans-122.7106.4177.6-72.1178.3-142.300110.3L236 K237 V238 R254L236-E256 PolarHBondContact O-N 2.8Å; K237-E256 CarbonylContact C-O 3.51Å; K237-E256 VanDerWaalsContact CA-O 3.31Å; K237-E256 WeakPolarHBondContact CA-O 3.33Å; K237-E256 HydrophobicContact CB-CB 4.42Å; K237-E256 HydrophobicContact CG-CB 4.14Å; K237-E256 IonicContact NZ-OE2 3.53Å; K237-E256 PolarHBondContact NZ-OE2 2.78Å; V238-E256 PolarHBondContact N-O 3.35Å; R254-E256 WeakPolarHBondContact CD-OE1 3.4Å; R254-E256 HydrophobicContact CG-CG 4.23Å; R254-E256 IonicContact CZ-OE1 2.67Å; R254-E256 VanDerWaalsContact CZ-OE1 3.3Å; R254-E256 IonicContact NE-OE1 3.18Å; R254-E256 IonicContact NH1-OE1 2.86Å; R254-E256 PolarHBondContact NH1-OE1 2.91Å
257L98.4Very high97.7Very high3 Ų336.2 Ų36.22%0.01619%0.193CC..EExtended strand (participates in β ladder)trans-103.8131169.5-54.6-178.9000108.7L236 V238 V248 V255 V260 T264 V266 V274 V275 D276L236-L257 HydrophobicContact CD2-CD2 4.14Å; V238-L257 HydrophobicContact CB-CD2 4Å; V238-L257 HydrophobicContact CG2-CD2 4.16Å; V238-L257 CarbonylContact O-C 3.5Å; V238-L257 WeakPolarHBondContact O-CA 3.32Å; V248-L257 HydrophobicContact CG2-CD1 4.1Å; V248-L257 HydrophobicContact CG2-CD2 4.28Å; V255-L257 HydrophobicContact CG1-CG 4.27Å; L257-V260 HydrophobicContact CB-CG1 3.91Å; L257-V260 HydrophobicContact CD1-CG1 4.14Å; L257-T264 HydrophobicContact CD1-CG2 4.34Å; L257-V266 HydrophobicContact CD1-CG2 3.66Å; L257-V274 PolarHBondContact N-O 3.3Å; L257-V275 HydrophobicContact CB-CG1 4.3Å; L257-V275 HydrophobicContact CB-CG2 4.27Å; L257-V275 HydrophobicContact CD1-CG2 4.37Å; L257-V275 CarbonylContact O-C 3.58Å; L257-V275 VanDerWaalsContact O-CA 3.28Å; L257-V275 WeakPolarHBondContact O-CA 3.41Å; L257-D276 PolarHBondContact O-N 3.08Å
258G96.7Very high97.7Very high9 Ų933.8 Ų33.89%0.09318%0.177CC..EExtended strand (participates in β ladder)trans-75.6-117.3172.400000110.7V238 K239 D276 G277V238-G258 PolarHBondContact O-N 3.12Å; K239-G258 VanDerWaalsContact O-CA 3.25Å; K239-G258 WeakPolarHBondContact O-CA 3.49Å; G258-D276 PolarHBondContact O-N 3.09Å; G258-G277 PolarHBondContact O-N 3.42Å
259H95Very high97.7Very high49 Ų4938 Ų3823%0.22720%0.196CC..EExtended strand (participates in β ladder)trans-86.8129.8172.6-63.3-62.6000111.3K239 A240 V241 G277 L385K239-H259 PolarHBondContact O-N 3.06Å; A240-H259 CarbonylContact C-O 3.59Å; A240-H259 WeakPolarHBondContact CA-O 3.3Å; V241-H259 PolarHBondContact N-O 2.95Å; H259-G277 WeakPolarHBondContact CA-O 3.42Å; H259-L385 WeakPolarHBondContact NE2-CD2 3.28Å
260V96.6Very high97.7Very high2 Ų237.4 Ų37.41%0.01220%0.2CC..EExtended strand (participates in β ladder)trans-119.4131176.8-59.10000110.1V241 L257 V275 G277V241-V260 HydrophobicContact CB-CB 4.47Å; V241-V260 HydrophobicContact CB-CG1 4.13Å; V241-V260 HydrophobicContact CG2-CG1 4.19Å; L257-V260 HydrophobicContact CB-CG1 3.91Å; L257-V260 HydrophobicContact CD1-CG1 4.14Å; V260-V275 HydrophobicContact CG2-CG1 3.99Å; V260-G277 PolarHBondContact N-O 2.93Å
261H94.8Very high97.6Very high77 Ų7738.2 Ų38.236%0.35621%0.209SC..EExtended strand (participates in β ladder)trans-111.2148.5171.1-68.1-93.6000109.8V241 Y242 A243V241-H261 PolarHBondContact O-N 2.84Å; Y242-H261 AromaticContact CD1-CD2 3.36Å; Y242-H261 WeakPolarHBondContact CD1-CD2 3.34Å; Y242-H261 AromaticContact CD1-NE2 3.87Å; Y242-H261 AromaticContact CE1-CD2 3.36Å; Y242-H261 WeakPolarHBondContact CE1-CD2 3.47Å; Y242-H261 AromaticContact CE1-NE2 3.42Å; Y242-H261 WeakPolarHBondContact CE1-NE2 3.47Å; A243-H261 CarbonylContact O-C 3.56Å; A243-H261 VanDerWaalsContact O-C 3.31Å
262G95.9Very high97.7Very high14 Ų1440 Ų4014%0.14422%0.216CC..EExtended strand (participates in β ladder)trans81.5-178.2-17600000113.1A243 E244 T264 S280A243-G262 VanDerWaalsContact O-CA 3.27Å; A243-G262 WeakPolarHBondContact O-CA 3.39Å; A243-G262 PolarHBondContact O-N 2.72Å; E244-G262 WeakPolarHBondContact O-CA 3.44Å; G262-T264 PolarHBondContact O-N 2.77Å; G262-T264 PolarHBondContact O-OG1 3.2Å; G262-S280 WeakPolarHBondContact O-CB 3.49Å
263N97Very high97.7Very high95 Ų9538.4 Ų38.451%0.50821%0.205SC..EExtended strand (participates in β ladder)trans-73.5120.9-176.8-67.2-14000109.8E244 S245 S246 F281E244-N263 PolarHBondContact O-N 3.15Å; S245-N263 CarbonylContact C-O 3.57Å; S245-N263 VanDerWaalsContact CA-O 3.29Å; S245-N263 WeakPolarHBondContact CA-O 3.27Å; S246-N263 PolarHBondContact N-O 2.92Å; N263-F281 WeakPolarHBondContact CA-O 3.4Å; N263-F281 WeakPolarHBondContact OD1-CB 3.5Å
264T98.4Very high97.8Very high1 Ų138.1 Ų38.11%0.00620%0.199CC..EExtended strand (participates in β ladder)trans-122.4129.8-175.5-58.90000110.9S246 L257 G262 V266 F281 L282 K283S246-T264 CarbonylContact O-C 3.54Å; S246-T264 WeakPolarHBondContact O-CA 3.44Å; L257-T264 HydrophobicContact CD1-CG2 4.34Å; G262-T264 PolarHBondContact O-N 2.77Å; G262-T264 PolarHBondContact O-OG1 3.2Å; T264-V266 HydrophobicContact CG2-CG2 4.03Å; T264-F281 PolarHBondContact N-O 3.47Å; T264-L282 HydrophobicContact CG2-CD1 3.86Å; T264-L282 CarbonylContact O-C 3.54Å; T264-L282 WeakPolarHBondContact O-CA 3.25Å; T264-K283 PolarHBondContact O-N 2.61Å
265T98.8Very high97.8Very high41 Ų4132.6 Ų32.625%0.25218%0.178SC..EExtended strand (participates in β ladder)trans-116.4129.8170.3-57.90000109.1S246 C247 V248 E267 K283S246-T265 PolarHBondContact O-N 2.86Å; C247-T265 WeakPolarHBondContact CA-O 3.44Å; V248-T265 PolarHBondContact N-O 2.96Å; T265-E267 HydrophobicContact CG2-CG 4.37Å; T265-K283 CarbonylContact C-O 3.53Å; T265-K283 WeakPolarHBondContact CA-O 3.42Å; T265-K283 HydrophobicContact CG2-CB 4.45Å
266V98.8Very high97.6Very high0 Ų034 Ų340%019%0.186CC..EExtended strand (participates in β ladder)trans-122.5122.9176.1-172.70000109.1V248 V255 L257 T264 T273 L282 K283 V284 S285V248-V266 HydrophobicContact CB-CG1 4.24Å; V248-V266 HydrophobicContact CB-CG2 4.25Å; V248-V266 HydrophobicContact CG1-CG1 4.24Å; V248-V266 CarbonylContact O-C 3.49Å; V248-V266 WeakPolarHBondContact O-CA 3.29Å; V255-V266 HydrophobicContact CG1-CG1 3.99Å; L257-V266 HydrophobicContact CD1-CG2 3.66Å; T264-V266 HydrophobicContact CG2-CG2 4.03Å; V266-T273 HydrophobicContact CG1-CG2 3.91Å; V266-L282 HydrophobicContact CG2-CD1 4.38Å; V266-K283 PolarHBondContact N-O 2.84Å; V266-V284 HydrophobicContact CB-CB 4.5Å; V266-V284 HydrophobicContact CB-CG1 4.22Å; V266-V284 HydrophobicContact CB-CG2 4.17Å; V266-V284 HydrophobicContact CG1-CG1 4.49Å; V266-V284 HydrophobicContact CG2-CG2 4.33Å; V266-V284 CarbonylContact O-C 3.54Å; V266-V284 WeakPolarHBondContact O-CA 3.24Å; V266-S285 PolarHBondContact O-N 2.81Å
267E98.7Very high97.4Very high90 Ų9031.8 Ų31.842%0.42118%0.176SC..EExtended strand (participates in β ladder)trans-117.7110.7173.1-67.3-177.6-175.900108V248 F249 S250 T265 S285V248-E267 PolarHBondContact O-N 2.92Å; F249-E267 CarbonylContact C-O 3.59Å; F249-E267 VanDerWaalsContact CA-O 3.24Å; F249-E267 WeakPolarHBondContact CA-O 3.26Å; F249-E267 HydrophobicContact CD2-CB 3.91Å; S250-E267 PolarHBondContact N-O 3.26Å; T265-E267 HydrophobicContact CG2-CG 4.37Å; E267-S285 WeakPolarHBondContact CA-O 3.24Å
268N98.4Very high97.2Very high1 Ų131.7 Ų31.71%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-124.9100.2177.4-175.34.3000108.4S250 G253 V255 S270 G271 T273 S285 S286S250-N268 CarbonylContact O-C 3.6Å; S250-N268 WeakPolarHBondContact O-CA 3.41Å; G253-N268 PolarHBondContact O-ND2 2.83Å; G253-N268 PolarHBondContact O-OD1 2.96Å; V255-N268 HydrophobicContact CG2-CB 4.13Å; V255-N268 WeakPolarHBondContact CG2-ND2 3.39Å; N268-S270 PolarHBondContact O-N 2.85Å; N268-G271 PolarHBondContact ND2-O 2.8Å; N268-T273 WeakPolarHBondContact CB-OG1 3.14Å; N268-T273 PolarHBondContact ND2-OG1 2.8Å; N268-T273 VanDerWaalsContact ND2-OG1 3.16Å; N268-S285 PolarHBondContact N-O 3.5Å; N268-S286 WeakPolarHBondContact O-CA 3.14Å; N268-S286 WeakPolarHBondContact O-CB 3.16Å; N268-S286 PolarHBondContact O-OG 3.02Å
269E98.3Very high96.9Very high96 Ų9634.6 Ų34.645%0.44919%0.189SC..EExtended strand (participates in β ladder)trans-60.1-51-173.7-62-178.7171.600110.6S250 C251 S286 V287 S288S250-E269 PolarHBondContact O-N 3.27Å; C251-E269 WeakPolarHBondContact O-CB 3.45Å; E269-S286 PolarHBondContact O-OG 2.94Å; E269-V287 HydrophobicContact CB-CG2 4.45Å; E269-V287 CarbonylContact O-C 3.54Å; E269-V287 WeakPolarHBondContact O-CA 3.35Å; E269-V287 WeakPolarHBondContact O-CB 3.34Å; E269-V287 PolarHBondContact O-N 3.44Å; E269-S288 PolarHBondContact O-N 3.43Å
270S97.6Very high96.8Very high54 Ų5434.1 Ų34.138%0.37819%0.191SC..EExtended strand (participates in β ladder)trans-135104.7-179-173.50000114C251 S252 G253 N268 S288C251-S270 PolarHBondContact O-N 3.35Å; S252-S270 CarbonylContact C-O 3.57Å; S252-S270 WeakPolarHBondContact CA-O 3.4Å; S252-S270 WeakPolarHBondContact CB-O 2.97Å; G253-S270 PolarHBondContact N-O 2.88Å; N268-S270 PolarHBondContact O-N 2.85Å; S270-S288 CarbonylContact C-O 3.53Å; S270-S288 WeakPolarHBondContact CA-O 3.44Å; S270-S288 PolarHBondContact OG-OG 3.02Å
271G98.1Very high96.8Very high17 Ų1737.7 Ų37.718%0.17521%0.206CC..SBendtrans149.5166.8173.900000112.4N268 S288N268-G271 PolarHBondContact ND2-O 2.8Å; G271-S288 PolarHBondContact N-O 2.99Å
272D98.7Very high96.9Very high74 Ų7434 Ų3440%0.39619%0.19SC..  trans-72.5140179.9-65.4-27.7000111R254 V255 S290R254-D272 WeakPolarHBondContact CA-O 3.37Å; R254-D272 HydrophobicContact CG-CB 4.36Å; R254-D272 WeakPolarHBondContact CG-O 3.34Å; V255-D272 PolarHBondContact N-O 2.8Å; D272-S290 CarbonylContact C-O 3.53Å; D272-S290 WeakPolarHBondContact CA-O 3.33Å; D272-S290 PolarHBondContact OD1-N 3.26Å
273T98.8Very high97.1Very high0 Ų037.3 Ų37.30%020%0.2CC..EExtended strand (participates in β ladder)trans-119.1124.2176.4-58.10000109.7V255 V266 N268 V284 S290 I291 D292V255-T273 HydrophobicContact CB-CG2 4.27Å; V255-T273 HydrophobicContact CG1-CG2 4.27Å; V255-T273 CarbonylContact O-C 3.25Å; V255-T273 WeakPolarHBondContact O-CA 3.48Å; V266-T273 HydrophobicContact CG1-CG2 3.91Å; N268-T273 WeakPolarHBondContact CB-OG1 3.14Å; N268-T273 PolarHBondContact ND2-OG1 2.8Å; N268-T273 VanDerWaalsContact ND2-OG1 3.16Å; T273-V284 HydrophobicContact CG2-CG1 3.79Å; T273-S290 PolarHBondContact N-O 2.78Å; T273-I291 CarbonylContact O-C 3.53Å; T273-I291 WeakPolarHBondContact O-CA 3.42Å; T273-D292 PolarHBondContact O-N 2.93Å
274V98.6Very high97.2Very high14 Ų1432.8 Ų32.89%0.08518%0.176CC..EExtended strand (participates in β ladder)trans-121.7128.8177.4-175.30000109.7V255 L257 D292V255-V274 PolarHBondContact O-N 2.86Å; L257-V274 PolarHBondContact N-O 3.3Å; V274-D292 CarbonylContact C-O 3.6Å; V274-D292 VanDerWaalsContact CA-O 3.25Å; V274-D292 WeakPolarHBondContact CA-O 3.39Å; V274-D292 HydrophobicContact CG2-CB 4.4Å
275V98.1Very high97.2Very high0 Ų034.3 Ų34.30%019%0.187CC..EExtended strand (participates in β ladder)trans-123.9114.2170.6-172.70000109.1L257 V260 L282 D292 V293 Y294 R313L257-V275 HydrophobicContact CB-CG1 4.3Å; L257-V275 HydrophobicContact CB-CG2 4.27Å; L257-V275 HydrophobicContact CD1-CG2 4.37Å; L257-V275 CarbonylContact O-C 3.58Å; L257-V275 VanDerWaalsContact O-CA 3.28Å; L257-V275 WeakPolarHBondContact O-CA 3.41Å; V260-V275 HydrophobicContact CG2-CG1 3.99Å; V275-L282 HydrophobicContact CB-CD2 4.18Å; V275-L282 HydrophobicContact CG1-CD2 3.99Å; V275-L282 HydrophobicContact CG2-CD2 4.21Å; V275-D292 PolarHBondContact N-O 2.91Å; V275-V293 HydrophobicContact CB-CG1 4.39Å; V275-V293 HydrophobicContact CB-CG2 4.06Å; V275-V293 HydrophobicContact CG2-CG2 4.07Å; V275-V293 WeakPolarHBondContact O-CA 3.17Å; V275-Y294 PolarHBondContact O-N 3.44Å; V275-R313 PolarHBondContact O-NH2 3.28Å
276D95.6Very high97.1Very high28 Ų2832.8 Ų32.815%0.1518%0.178CC..EExtended strand (participates in β ladder)trans-79.8-15.1-174.8-74.6-29.1000114.3L257 G258 Y294 R313 K386L257-D276 PolarHBondContact O-N 3.08Å; G258-D276 PolarHBondContact O-N 3.09Å; D276-Y294 VanDerWaalsContact O-CB 3.29Å; D276-Y294 WeakPolarHBondContact O-CB 3.41Å; D276-R313 IonicContact OD1-NH2 2.86Å; D276-R313 PolarHBondContact OD1-NH2 3.06Å; D276-R313 VanDerWaalsContact OD1-NH2 3.12Å; D276-K386 WeakPolarHBondContact OD1-CE 3.45Å; D276-K386 IonicContact OD1-NZ 2.84Å; D276-K386 PolarHBondContact OD1-NZ 2.89Å; D276-K386 IonicContact OD2-NZ 3.1Å; D276-K386 PolarHBondContact OD2-NZ 2.9Å
277G93.3Very high97.1Very high2 Ų235.5 Ų35.52%0.02119%0.194CC..EExtended strand (participates in β ladder)trans178.7141.6159.300000115.7G258 H259 V260 Y294G258-G277 PolarHBondContact O-N 3.42Å; H259-G277 WeakPolarHBondContact CA-O 3.42Å; V260-G277 PolarHBondContact N-O 2.93Å; G277-Y294 WeakPolarHBondContact CA-O 3.39Å
278S94.2Very high97Very high1 Ų133 Ų331%0.00719%0.186CC..EExtended strand (participates in β ladder)trans-133134.3167.4-179.50000110.7S280 Y294 G296S278-S280 PolarHBondContact OG-N 2.93Å; S278-Y294 PolarHBondContact N-O 2.81Å; S278-Y294 VanDerWaalsContact N-O 3.12Å; S278-G296 PolarHBondContact O-N 3Å
279N91.6Very high97Very high71 Ų7133.7 Ų33.738%0.3819%0.194SC..SBendtrans-108.818.5172-65.526.8000111.4
280S93Very high97Very high38 Ų3831.6 Ų31.627%0.26619%0.19SC..SBendtrans-133-158.2-178.1-60.30000109.3G262 S278 G299 T300G262-S280 WeakPolarHBondContact O-CB 3.49Å; S278-S280 PolarHBondContact OG-N 2.93Å; S280-G299 WeakPolarHBondContact O-CA 3.4Å; S280-T300 PolarHBondContact O-N 2.76Å
281F95.9Very high97.1Very high77 Ų7729.1 Ų29.134%0.33817%0.172SC..EExtended strand (participates in β ladder)trans-78.1128.1173.8-179.7-104.1000111.3N263 T264 K283 T300 D302N263-F281 WeakPolarHBondContact CA-O 3.4Å; N263-F281 WeakPolarHBondContact OD1-CB 3.5Å; T264-F281 PolarHBondContact N-O 3.47Å; F281-K283 HydrophobicContact CE1-CB 3.84Å; F281-K283 HydrophobicContact CZ-CB 3.98Å; F281-T300 CarbonylContact C-O 3.57Å; F281-T300 WeakPolarHBondContact CA-O 3.36Å; F281-T300 HydrophobicContact CD2-CG2 3.79Å; F281-T300 HydrophobicContact CE2-CG2 4.15Å; F281-D302 HydrophobicContact CZ-CB 4.48Å
282L98.1Very high97.1Very high1 Ų130.3 Ų30.31%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-126.5124.2174.9176.562.8000110.3T264 V266 V275 V284 V293 T300 A301 D302T264-L282 HydrophobicContact CG2-CD1 3.86Å; T264-L282 CarbonylContact O-C 3.54Å; T264-L282 WeakPolarHBondContact O-CA 3.25Å; V266-L282 HydrophobicContact CG2-CD1 4.38Å; V275-L282 HydrophobicContact CB-CD2 4.18Å; V275-L282 HydrophobicContact CG1-CD2 3.99Å; V275-L282 HydrophobicContact CG2-CD2 4.21Å; L282-V284 HydrophobicContact CD1-CG2 3.92Å; L282-V284 HydrophobicContact CD2-CG2 4.26Å; L282-V284 HydrophobicContact CG-CG2 3.92Å; L282-V293 HydrophobicContact CD2-CB 4.47Å; L282-V293 HydrophobicContact CD2-CG1 3.37Å; L282-V293 HydrophobicContact CD2-CG2 4.24Å; L282-T300 PolarHBondContact N-O 3Å; L282-A301 CarbonylContact O-C 3.51Å; L282-A301 VanDerWaalsContact O-CA 3.26Å; L282-A301 WeakPolarHBondContact O-CA 3.29Å; L282-D302 PolarHBondContact O-N 3.47Å
283K98.7Very high97.1Very high82 Ų8226.8 Ų26.836%0.35716%0.156SC..EExtended strand (participates in β ladder)trans-113.6128.9169.4-177.4173.7179.1-177.50109.6T264 T265 V266 F281 D302T264-K283 PolarHBondContact O-N 2.61Å; T265-K283 CarbonylContact C-O 3.53Å; T265-K283 WeakPolarHBondContact CA-O 3.42Å; T265-K283 HydrophobicContact CG2-CB 4.45Å; V266-K283 PolarHBondContact N-O 2.84Å; F281-K283 HydrophobicContact CE1-CB 3.84Å; F281-K283 HydrophobicContact CZ-CB 3.98Å; K283-D302 CarbonylContact C-O 3.55Å; K283-D302 VanDerWaalsContact CA-O 3.28Å; K283-D302 WeakPolarHBondContact CA-O 3.41Å; K283-D302 HydrophobicContact CG-CB 4.37Å
284V98.8Very high97Very high1 Ų127 Ų271%0.00616%0.156CC..EExtended strand (participates in β ladder)trans-130.6125.5175.3-174.10000108.9V266 T273 L282 I291 V293 D302 L303 H304V266-V284 HydrophobicContact CB-CB 4.5Å; V266-V284 HydrophobicContact CB-CG1 4.22Å; V266-V284 HydrophobicContact CB-CG2 4.17Å; V266-V284 HydrophobicContact CG1-CG1 4.49Å; V266-V284 HydrophobicContact CG2-CG2 4.33Å; V266-V284 CarbonylContact O-C 3.54Å; V266-V284 WeakPolarHBondContact O-CA 3.24Å; T273-V284 HydrophobicContact CG2-CG1 3.79Å; L282-V284 HydrophobicContact CD1-CG2 3.92Å; L282-V284 HydrophobicContact CD2-CG2 4.26Å; L282-V284 HydrophobicContact CG-CG2 3.92Å; V284-I291 HydrophobicContact CB-CD1 4.4Å; V284-I291 HydrophobicContact CB-CG2 4.38Å; V284-I291 HydrophobicContact CG1-CD1 3.81Å; V284-I291 HydrophobicContact CG1-CG1 4.05Å; V284-I291 HydrophobicContact CG1-CG2 4.05Å; V284-V293 HydrophobicContact CG2-CG2 4.28Å; V284-D302 PolarHBondContact N-O 3.44Å; V284-L303 HydrophobicContact CB-CD2 3.75Å; V284-L303 HydrophobicContact CG2-CD2 3.67Å; V284-L303 CarbonylContact O-C 3.55Å; V284-L303 WeakPolarHBondContact O-CA 3.49Å; V284-H304 PolarHBondContact O-N 2.93Å
285S98.6Very high96.9Very high33 Ų3326.4 Ų26.423%0.23115%0.153CC..EExtended strand (participates in β ladder)trans-129140.4173.2510000112V266 E267 N268 H304V266-S285 PolarHBondContact O-N 2.81Å; E267-S285 WeakPolarHBondContact CA-O 3.24Å; N268-S285 PolarHBondContact N-O 3.5Å; S285-H304 CarbonylContact C-O 3.57Å; S285-H304 VanDerWaalsContact CA-O 3.24Å; S285-H304 WeakPolarHBondContact CA-O 3.43Å
286S97.8Very high96.7Very high9 Ų926.4 Ų26.46%0.06315%0.153CC..EExtended strand (participates in β ladder)trans-144151.4178-177.90000112.3N268 E269 S288 H304 T305 R306N268-S286 WeakPolarHBondContact O-CA 3.14Å; N268-S286 WeakPolarHBondContact O-CB 3.16Å; N268-S286 PolarHBondContact O-OG 3.02Å; E269-S286 PolarHBondContact O-OG 2.94Å; S286-S288 PolarHBondContact OG-N 3.23Å; S286-S288 PolarHBondContact OG-O 3.06Å; S286-H304 PolarHBondContact N-O 2.86Å; S286-T305 WeakPolarHBondContact O-CA 3.26Å; S286-R306 PolarHBondContact O-N 3.01Å
287V98.1Very high96.3Very high57 Ų5728.8 Ų28.835%0.34517%0.166SC..EExtended strand (participates in β ladder)trans-85.5-46.5171.5-179.80000109.7E269 R306 D307E269-V287 HydrophobicContact CB-CG2 4.45Å; E269-V287 CarbonylContact O-C 3.54Å; E269-V287 WeakPolarHBondContact O-CA 3.35Å; E269-V287 WeakPolarHBondContact O-CB 3.34Å; E269-V287 PolarHBondContact O-N 3.44Å; V287-R306 WeakPolarHBondContact O-CB 3.45Å; V287-D307 WeakPolarHBondContact O-CB 3.37Å; V287-D307 PolarHBondContact O-N 3.5Å
288S97.3Very high95.9Very high36 Ų3630.4 Ų30.425%0.25218%0.182SC..EExtended strand (participates in β ladder)trans-144.3146.7176.356.90000111.7E269 S270 G271 S286 D307E269-S288 PolarHBondContact O-N 3.43Å; S270-S288 CarbonylContact C-O 3.53Å; S270-S288 WeakPolarHBondContact CA-O 3.44Å; S270-S288 PolarHBondContact OG-OG 3.02Å; G271-S288 PolarHBondContact N-O 2.99Å; S286-S288 PolarHBondContact OG-N 3.23Å; S286-S288 PolarHBondContact OG-O 3.06Å; S288-D307 WeakPolarHBondContact CA-O 3.47Å
289G97.6Very high95.7Very high16 Ų1630.3 Ų30.317%0.16518%0.182CC..SBendtrans113.1156.2-174.600000112.1T305 D307 G308G289-T305 PolarHBondContact O-OG1 2.98Å; G289-D307 PolarHBondContact N-O 2.85Å; G289-G308 WeakPolarHBondContact O-CA 3.32Å
290S98.6Very high95.9Very high52 Ų5228.3 Ų28.336%0.36417%0.172SC..  trans-86.9145.3-174.6-56.50000111.5D272 T273 A309D272-S290 CarbonylContact C-O 3.53Å; D272-S290 WeakPolarHBondContact CA-O 3.33Å; D272-S290 PolarHBondContact OD1-N 3.26Å; T273-S290 PolarHBondContact N-O 2.78Å; S290-A309 CarbonylContact C-O 3.57Å; S290-A309 VanDerWaalsContact CA-O 3.26Å; S290-A309 WeakPolarHBondContact CA-O 3.23Å
291I98.8Very high96.2Very high2 Ų226.5 Ų26.51%0.0116%0.16CC..EExtended strand (participates in β ladder)trans-108.7121.4175.4-62.4171.6000108.1T273 V284 V293 L303 H304 T305 A309 V310 S311T273-I291 CarbonylContact O-C 3.53Å; T273-I291 WeakPolarHBondContact O-CA 3.42Å; V284-I291 HydrophobicContact CB-CD1 4.4Å; V284-I291 HydrophobicContact CB-CG2 4.38Å; V284-I291 HydrophobicContact CG1-CD1 3.81Å; V284-I291 HydrophobicContact CG1-CG1 4.05Å; V284-I291 HydrophobicContact CG1-CG2 4.05Å; I291-V293 HydrophobicContact CG2-CG2 3.6Å; I291-L303 HydrophobicContact CG2-CD2 4.44Å; I291-H304 WeakPolarHBondContact CD1-O 3.44Å; I291-T305 HydrophobicContact CD1-CG2 4.43Å; I291-A309 PolarHBondContact N-O 2.87Å; I291-V310 HydrophobicContact CB-CG1 4.37Å; I291-V310 HydrophobicContact CB-CG2 4.32Å; I291-V310 HydrophobicContact CD1-CG2 4.46Å; I291-V310 HydrophobicContact CG2-CG1 4.39Å; I291-V310 CarbonylContact O-C 3.57Å; I291-V310 WeakPolarHBondContact O-CA 3.44Å; I291-S311 PolarHBondContact O-N 3.01Å
292D98.6Very high96.3Very high43 Ų4325.7 Ų25.723%0.2316%0.159CC..EExtended strand (participates in β ladder)trans-121.7110.6172.4-177.5-7.8000110T273 V274 V275 S311 R313T273-D292 PolarHBondContact O-N 2.93Å; V274-D292 CarbonylContact C-O 3.6Å; V274-D292 VanDerWaalsContact CA-O 3.25Å; V274-D292 WeakPolarHBondContact CA-O 3.39Å; V274-D292 HydrophobicContact CG2-CB 4.4Å; V275-D292 PolarHBondContact N-O 2.91Å; D292-S311 WeakPolarHBondContact CA-O 3.5Å; D292-R313 VanDerWaalsContact OD1-CD 3.32Å; D292-R313 WeakPolarHBondContact OD1-CD 3.38Å; D292-R313 IonicContact OD1-CZ 2.84Å; D292-R313 IonicContact OD1-NE 2.66Å; D292-R313 PolarHBondContact OD1-NE 3.04Å; D292-R313 IonicContact OD1-NH2 3.3Å; D292-R313 IonicContact OD2-NE 3.44Å
293V98.2Very high96.3Very high0 Ų025.7 Ų25.70%016%0.159CC..EExtended strand (participates in β ladder)trans-129.5132.6-171.6170.40000111V275 L282 V284 I291 V295 L303 S311 V312 R313V275-V293 HydrophobicContact CB-CG1 4.39Å; V275-V293 HydrophobicContact CB-CG2 4.06Å; V275-V293 HydrophobicContact CG2-CG2 4.07Å; V275-V293 WeakPolarHBondContact O-CA 3.17Å; L282-V293 HydrophobicContact CD2-CB 4.47Å; L282-V293 HydrophobicContact CD2-CG1 3.37Å; L282-V293 HydrophobicContact CD2-CG2 4.24Å; V284-V293 HydrophobicContact CG2-CG2 4.28Å; I291-V293 HydrophobicContact CG2-CG2 3.6Å; V293-V295 HydrophobicContact CG1-CG2 3.9Å; V293-L303 HydrophobicContact CB-CD1 4.07Å; V293-L303 HydrophobicContact CB-CD2 4.46Å; V293-L303 HydrophobicContact CG1-CD1 4.4Å; V293-L303 HydrophobicContact CG1-CD2 4.44Å; V293-L303 HydrophobicContact CG2-CD1 4.29Å; V293-L303 HydrophobicContact CG2-CD2 4.01Å; V293-S311 PolarHBondContact N-O 2.94Å; V293-V312 WeakPolarHBondContact O-CA 3.32Å; V293-R313 PolarHBondContact O-N 2.89Å
294Y97.3Very high96.3Very high3 Ų324.8 Ų24.81%0.01216%0.156CC..EExtended strand (participates in β ladder)trans-93.3123163.6-178.5-84.4000111.2V275 D276 G277 S278 R313 Q379V275-Y294 PolarHBondContact O-N 3.44Å; D276-Y294 VanDerWaalsContact O-CB 3.29Å; D276-Y294 WeakPolarHBondContact O-CB 3.41Å; G277-Y294 WeakPolarHBondContact CA-O 3.39Å; S278-Y294 PolarHBondContact N-O 2.81Å; S278-Y294 VanDerWaalsContact N-O 3.12Å; Y294-R313 CarbonylContact C-O 3.46Å; Y294-R313 VanDerWaalsContact CA-O 3.26Å; Y294-R313 WeakPolarHBondContact CA-O 3.42Å; Y294-R313 HydrophobicContact CD2-CB 3.85Å; Y294-R313 HydrophobicContact CG-CB 4.45Å; Y294-Q379 HydrophobicContact CD2-CB 4.41Å; Y294-Q379 HydrophobicContact CE2-CB 4.31Å
295V96.4Very high96.3Very high2 Ų224.8 Ų24.81%0.01216%0.156CC..EExtended strand (participates in β ladder)trans-107.2112.7175-172.60000108V293 A301 V312 R313 V314 P315 L318 V365V293-V295 HydrophobicContact CG1-CG2 3.9Å; V295-A301 HydrophobicContact CG2-CB 3.69Å; V295-V312 HydrophobicContact CG2-CG1 4.01Å; V295-R313 PolarHBondContact N-O 2.86Å; V295-V314 HydrophobicContact CB-CG1 4.32Å; V295-P315 WeakPolarHBondContact O-CD 3.06Å; V295-L318 HydrophobicContact CG1-CD2 4.29Å; V295-V365 HydrophobicContact CG1-CG2 4.31Å
296G93.4Very high96.3Very high1 Ų128.8 Ų28.81%0.0117%0.166CC..  trans-83.8179.7-178.800000113.7S278 G298 G299 L318S278-G296 PolarHBondContact O-N 3Å; G296-G298 PolarHBondContact O-N 2.85Å; G296-G299 PolarHBondContact O-N 3.08Å; G296-L318 WeakPolarHBondContact O-CD1 3.48Å
297D87.8Confident96.3Very high78 Ų7831 Ų3142%0.41718%0.177SC..THydrogen-bonded Turntrans-58124.8179.7-62.1-52000111G299 P315 S317D297-G299 VanDerWaalsContact C-N 3.33Å; D297-P315 WeakPolarHBondContact OD1-CG 3.39Å; D297-S317 VanDerWaalsContact CG-OG 3.31Å; D297-S317 WeakPolarHBondContact OD1-CB 3.12Å; D297-S317 PolarHBondContact OD1-OG 2.83Å; D297-S317 PolarHBondContact OD2-OG 2.88Å
298G85Confident96.2Very high35 Ų3528.9 Ų28.936%0.36117%0.167SC..THydrogen-bonded Turntrans83.80.6-177.100000115.4G296G296-G298 PolarHBondContact O-N 2.85Å
299G91.1Very high96.3Very high0 Ų028.7 Ų28.70%017%0.167CC..  trans-77149.7178.200000113.9S280 G296 D297S280-G299 WeakPolarHBondContact O-CA 3.4Å; G296-G299 PolarHBondContact O-N 3.08Å; D297-G299 VanDerWaalsContact C-N 3.33Å
300T95.5Very high96.3Very high28 Ų2828 Ų2817%0.17216%0.16CC..EExtended strand (participates in β ladder)trans-123.1138170.1-66.60000107.7S280 F281 L282 D362 W364S280-T300 PolarHBondContact O-N 2.76Å; F281-T300 CarbonylContact C-O 3.57Å; F281-T300 WeakPolarHBondContact CA-O 3.36Å; F281-T300 HydrophobicContact CD2-CG2 3.79Å; F281-T300 HydrophobicContact CE2-CG2 4.15Å; L282-T300 PolarHBondContact N-O 3Å; T300-D362 PolarHBondContact OG1-O 3.39Å; T300-W364 CarbonylContact C-O 3.57Å; T300-W364 WeakPolarHBondContact CA-O 3.33Å; T300-W364 VanDerWaalsContact CG2-O 3.26Å; T300-W364 WeakPolarHBondContact CG2-O 3.36Å
301A97.9Very high96.3Very high1 Ų126.5 Ų26.51%0.00815%0.149CC..EExtended strand (participates in β ladder)trans-131.1138.8-178.200000112.4L282 V295 L303 W364 K366L282-A301 CarbonylContact O-C 3.51Å; L282-A301 VanDerWaalsContact O-CA 3.26Å; L282-A301 WeakPolarHBondContact O-CA 3.29Å; V295-A301 HydrophobicContact CG2-CB 3.69Å; A301-L303 HydrophobicContact CB-CD1 4.44Å; A301-L303 HydrophobicContact CB-CD2 4.28Å; A301-L303 HydrophobicContact CB-CG 4.15Å; A301-W364 PolarHBondContact N-O 2.67Å; A301-K366 PolarHBondContact O-N 3.44Å
302D98.6Very high96.3Very high60 Ų6026.4 Ų26.432%0.32115%0.149SC..EExtended strand (participates in β ladder)trans-126.4102.4168.6-172.79000109F281 L282 K283 V284F281-D302 HydrophobicContact CZ-CB 4.48Å; L282-D302 PolarHBondContact O-N 3.47Å; K283-D302 CarbonylContact C-O 3.55Å; K283-D302 VanDerWaalsContact CA-O 3.28Å; K283-D302 WeakPolarHBondContact CA-O 3.41Å; K283-D302 HydrophobicContact CG-CB 4.37Å; V284-D302 PolarHBondContact N-O 3.44Å
303L98.8Very high96.2Very high0 Ų024.6 Ų24.60%014%0.139CC..EExtended strand (participates in β ladder)trans-117.3124.7-170.8-48.2177.1000109.5V284 I291 V293 A301 V310 V312 K366 A367 R368V284-L303 HydrophobicContact CB-CD2 3.75Å; V284-L303 HydrophobicContact CG2-CD2 3.67Å; V284-L303 CarbonylContact O-C 3.55Å; V284-L303 WeakPolarHBondContact O-CA 3.49Å; I291-L303 HydrophobicContact CG2-CD2 4.44Å; V293-L303 HydrophobicContact CB-CD1 4.07Å; V293-L303 HydrophobicContact CB-CD2 4.46Å; V293-L303 HydrophobicContact CG1-CD1 4.4Å; V293-L303 HydrophobicContact CG1-CD2 4.44Å; V293-L303 HydrophobicContact CG2-CD1 4.29Å; V293-L303 HydrophobicContact CG2-CD2 4.01Å; A301-L303 HydrophobicContact CB-CD1 4.44Å; A301-L303 HydrophobicContact CB-CD2 4.28Å; A301-L303 HydrophobicContact CB-CG 4.15Å; L303-V310 HydrophobicContact CB-CG1 4.1Å; L303-V310 HydrophobicContact CD1-CG1 3.94Å; L303-V312 HydrophobicContact CD1-CG2 3.71Å; L303-K366 PolarHBondContact N-O 2.85Å; L303-A367 HydrophobicContact CB-CB 4.35Å; L303-A367 HydrophobicContact CD1-CB 4.5Å; L303-A367 CarbonylContact O-C 3.59Å; L303-A367 WeakPolarHBondContact O-CA 3.38Å; L303-R368 PolarHBondContact O-N 2.9Å
304H98.8Very high96.1Very high64 Ų6424.7 Ų24.730%0.29614%0.14SC..EExtended strand (participates in β ladder)trans-139.2130.2179.9178-126.4000111.8V284 S285 S286 I291 R368 D370V284-H304 PolarHBondContact O-N 2.93Å; S285-H304 CarbonylContact C-O 3.57Å; S285-H304 VanDerWaalsContact CA-O 3.24Å; S285-H304 WeakPolarHBondContact CA-O 3.43Å; S286-H304 PolarHBondContact N-O 2.86Å; I291-H304 WeakPolarHBondContact CD1-O 3.44Å; H304-R368 CarbonylContact C-O 3.58Å; H304-R368 WeakPolarHBondContact CA-O 3.39Å; H304-D370 IonicContact CD2-OD2 3.95Å; H304-D370 IonicContact CE1-OD2 3.65Å; H304-D370 IonicContact NE2-OD1 3.8Å; H304-D370 IonicContact NE2-OD2 2.86Å; H304-D370 PolarHBondContact NE2-OD2 2.85Å
305T98.5Very high96Very high0 Ų025 Ų250%014%0.142CC..EExtended strand (participates in β ladder)trans-134.5143.1166.4-176.60000110S286 G289 I291 G308 V310 R368 A369 D370S286-T305 WeakPolarHBondContact O-CA 3.26Å; G289-T305 PolarHBondContact O-OG1 2.98Å; I291-T305 HydrophobicContact CD1-CG2 4.43Å; T305-G308 VanDerWaalsContact CG2-O 3.28Å; T305-G308 WeakPolarHBondContact CG2-O 3.32Å; T305-V310 HydrophobicContact CG2-CG2 3.62Å; T305-R368 PolarHBondContact N-O 2.94Å; T305-A369 HydrophobicContact CG2-CB 4.09Å; T305-A369 WeakPolarHBondContact O-CA 3.29Å; T305-D370 PolarHBondContact O-N 3.23Å
306R98.2Very high95.6Very high118 Ų11829.1 Ų29.145%0.44517%0.17SC..EExtended strand (participates in β ladder)trans-82.1-55.8175.3-171.9-174.673.8-161.90.7110.9S286 V287 D370 R371S286-R306 PolarHBondContact O-N 3.01Å; V287-R306 WeakPolarHBondContact O-CB 3.45Å; R306-D370 HydrophobicContact CG-CB 4.36Å; R306-R371 WeakPolarHBondContact O-CB 3.48Å; R306-R371 PolarHBondContact O-N 2.9Å
307D97.3Very high95.5Very high55 Ų5532 Ų3229%0.29419%0.191SC..EExtended strand (participates in β ladder)trans-117.761.7-173.5-56.9-49.5000111V287 S288 G289 R371V287-D307 WeakPolarHBondContact O-CB 3.37Å; V287-D307 PolarHBondContact O-N 3.5Å; S288-D307 WeakPolarHBondContact CA-O 3.47Å; G289-D307 PolarHBondContact N-O 2.85Å; D307-R371 VanDerWaalsContact OD1-CD 3.3Å; D307-R371 WeakPolarHBondContact OD1-CD 3.07Å; D307-R371 IonicContact OD1-NE 3.2Å
308G97.5Very high95.6Very high13 Ų1328.4 Ų28.413%0.13417%0.171CC..SBendtrans-169.2174.7179.900000113.3G289 T305 A369 G372G289-G308 WeakPolarHBondContact O-CA 3.32Å; T305-G308 VanDerWaalsContact CG2-O 3.28Å; T305-G308 WeakPolarHBondContact CG2-O 3.32Å; G308-A369 WeakPolarHBondContact O-CB 3.49Å; G308-G372 WeakPolarHBondContact O-CA 3.35Å
309A98.4Very high95.9Very high32 Ų3233.3 Ų33.326%0.26418%0.179SC..  trans-97.8154.3174.300000111.2S290 I291 S373S290-A309 CarbonylContact C-O 3.57Å; S290-A309 VanDerWaalsContact CA-O 3.26Å; S290-A309 WeakPolarHBondContact CA-O 3.23Å; I291-A309 PolarHBondContact N-O 2.87Å; A309-S373 WeakPolarHBondContact CA-O 3.3Å
310V98.8Very high96.1Very high2 Ų233.3 Ų33.31%0.01218%0.179CC..EExtended strand (participates in β ladder)trans-117.7123172-175.40000109.3I291 L303 T305 V312 A367 A369 S373 V374 Q375I291-V310 HydrophobicContact CB-CG1 4.37Å; I291-V310 HydrophobicContact CB-CG2 4.32Å; I291-V310 HydrophobicContact CD1-CG2 4.46Å; I291-V310 HydrophobicContact CG2-CG1 4.39Å; I291-V310 CarbonylContact O-C 3.57Å; I291-V310 WeakPolarHBondContact O-CA 3.44Å; L303-V310 HydrophobicContact CB-CG1 4.1Å; L303-V310 HydrophobicContact CD1-CG1 3.94Å; T305-V310 HydrophobicContact CG2-CG2 3.62Å; V310-V312 HydrophobicContact CG1-CG2 3.92Å; V310-A367 HydrophobicContact CG1-CB 3.95Å; V310-A369 HydrophobicContact CG2-CB 4.16Å; V310-S373 PolarHBondContact N-O 2.83Å; V310-V374 HydrophobicContact CB-CG2 4.32Å; V310-V374 CarbonylContact O-C 3.54Å; V310-V374 WeakPolarHBondContact O-CA 3.27Å; V310-Q375 PolarHBondContact O-N 3.3Å
311S98.5Very high96.1Very high20 Ų2032 Ų3214%0.1417%0.171CC..EExtended strand (participates in β ladder)trans-111.5122.3169.8-163.30000109I291 D292 V293 Q375I291-S311 PolarHBondContact O-N 3.01Å; D292-S311 WeakPolarHBondContact CA-O 3.5Å; V293-S311 PolarHBondContact N-O 2.94Å; S311-Q375 WeakPolarHBondContact CA-O 3.21Å; S311-Q375 PolarHBondContact OG-OE1 2.83Å
312V98.4Very high96Very high0 Ų032 Ų320%017%0.171CC..EExtended strand (participates in β ladder)trans-111.7123.5177.3-166.80000109.1V293 V295 L303 V310 V314 V365 A367 Q375 L376 R377V293-V312 WeakPolarHBondContact O-CA 3.32Å; V295-V312 HydrophobicContact CG2-CG1 4.01Å; L303-V312 HydrophobicContact CD1-CG2 3.71Å; V310-V312 HydrophobicContact CG1-CG2 3.92Å; V312-V314 HydrophobicContact CG1-CG1 4.03Å; V312-V365 HydrophobicContact CG1-CG1 3.82Å; V312-A367 HydrophobicContact CG2-CB 3.94Å; V312-Q375 PolarHBondContact N-O 2.87Å; V312-L376 HydrophobicContact CB-CD1 3.92Å; V312-L376 HydrophobicContact CG1-CD1 4.1Å; V312-R377 PolarHBondContact O-N 3.25Å
313R97.1Very high95.9Very high5 Ų532 Ų322%0.01917%0.171CC..EExtended strand (participates in β ladder)trans-105.9128.1178-54.9178-70.8148.9-15.1108V275 D276 D292 V293 Y294 V295 R377 Q379V275-R313 PolarHBondContact O-NH2 3.28Å; D276-R313 IonicContact OD1-NH2 2.86Å; D276-R313 PolarHBondContact OD1-NH2 3.06Å; D276-R313 VanDerWaalsContact OD1-NH2 3.12Å; D292-R313 VanDerWaalsContact OD1-CD 3.32Å; D292-R313 WeakPolarHBondContact OD1-CD 3.38Å; D292-R313 IonicContact OD1-CZ 2.84Å; D292-R313 IonicContact OD1-NE 2.66Å; D292-R313 PolarHBondContact OD1-NE 3.04Å; D292-R313 IonicContact OD1-NH2 3.3Å; D292-R313 IonicContact OD2-NE 3.44Å; V293-R313 PolarHBondContact O-N 2.89Å; Y294-R313 CarbonylContact C-O 3.46Å; Y294-R313 VanDerWaalsContact CA-O 3.26Å; Y294-R313 WeakPolarHBondContact CA-O 3.42Å; Y294-R313 HydrophobicContact CD2-CB 3.85Å; Y294-R313 HydrophobicContact CG-CB 4.45Å; V295-R313 PolarHBondContact N-O 2.86Å; R313-R377 WeakPolarHBondContact CA-O 3.37Å; R313-R377 HydrophobicContact CG-CG 4.12Å; R313-Q379 HydrophobicContact CB-CB 4.23Å
314V95.7Very high95.9Very high2 Ų232 Ų321%0.01217%0.171CC..EExtended strand (participates in β ladder)trans-134.8149.4-178.1-60.70000111.1V295 V312 L318 M355 L376 R377 T378 Q379V295-V314 HydrophobicContact CB-CG1 4.32Å; V312-V314 HydrophobicContact CG1-CG1 4.03Å; V314-L318 HydrophobicContact CB-CB 4.5Å; V314-L318 HydrophobicContact CB-CD2 3.81Å; V314-L318 HydrophobicContact CG1-CD2 3.61Å; V314-M355 HydrophobicContact CG2-SD 4.09Å; V314-L376 HydrophobicContact CG1-CD1 3.94Å; V314-L376 HydrophobicContact CG2-CD1 4.03Å; V314-R377 PolarHBondContact N-O 2.82Å; V314-T378 CarbonylContact O-C 3.55Å; V314-T378 VanDerWaalsContact O-CA 3.22Å; V314-T378 WeakPolarHBondContact O-CA 3.33Å; V314-Q379 PolarHBondContact O-N 2.98Å
315P93.8Very high95.9Very high10 Ų1029.4 Ų29.47%0.06516%0.16CC..  trans-72.3153.7167.331.6-33.1000110.1V295 D297 S317 L318V295-P315 WeakPolarHBondContact O-CD 3.06Å; D297-P315 WeakPolarHBondContact OD1-CG 3.39Å; P315-S317 PolarHBondContact O-N 2.89Å; P315-L318 HydrophobicContact CG-CB 4.03Å; P315-L318 WeakPolarHBondContact O-CB 3.47Å; P315-L318 PolarHBondContact O-N 2.91Å; P315-L318 VanDerWaalsContact O-N 3.15Å
316S89.8Confident95.8Very high87 Ų8729.4 Ų29.461%0.60816%0.16SC*.THydrogen-bonded Turntrans-63.6-21.4176.452.20000113.2L318 S356S316-L318 VanDerWaalsContact C-N 3.35Å; S316-S356 PolarHBondContact O-OG 3.44Å
317S89.6Confident95.8Very high63 Ų6327.6 Ų27.644%0.44116%0.162SC..THydrogen-bonded Turntrans-78.3-12.1176.746.10000114.5D297 P315 R319D297-S317 VanDerWaalsContact CG-OG 3.31Å; D297-S317 WeakPolarHBondContact OD1-CB 3.12Å; D297-S317 PolarHBondContact OD1-OG 2.83Å; D297-S317 PolarHBondContact OD2-OG 2.88Å; P315-S317 PolarHBondContact O-N 2.89Å; S317-R319 WeakPolarHBondContact O-CG 3.41Å; S317-R319 PolarHBondContact O-N 3.1Å
318L91.2Very high95.8Very high1 Ų126.8 Ų26.81%0.00516%0.163CC..  trans-65.2125.4-176.2-178.761.5000111.2V295 G296 V314 P315 S316 A320 M355 S356 V365V295-L318 HydrophobicContact CG1-CD2 4.29Å; G296-L318 WeakPolarHBondContact O-CD1 3.48Å; V314-L318 HydrophobicContact CB-CB 4.5Å; V314-L318 HydrophobicContact CB-CD2 3.81Å; V314-L318 HydrophobicContact CG1-CD2 3.61Å; P315-L318 HydrophobicContact CG-CB 4.03Å; P315-L318 WeakPolarHBondContact O-CB 3.47Å; P315-L318 PolarHBondContact O-N 2.91Å; P315-L318 VanDerWaalsContact O-N 3.15Å; S316-L318 VanDerWaalsContact C-N 3.35Å; L318-A320 HydrophobicContact CD1-CB 4.33Å; L318-A320 HydrophobicContact CD2-CB 4.45Å; L318-A320 HydrophobicContact CG-CB 4.13Å; L318-M355 HydrophobicContact CB-CE 4.45Å; L318-M355 HydrophobicContact CD2-CE 3.46Å; L318-M355 VanDerWaalsContact CD2-CE 3.46Å; L318-M355 HydrophobicContact CG-CE 3.81Å; L318-M355 WeakPolarHBondContact O-CB 3.4Å; L318-S356 WeakPolarHBondContact O-CB 3.28Å; L318-V365 HydrophobicContact CD2-CG2 4.19Å
319R91.5Very high95.8Very high139 Ų13926.4 Ų26.453%0.52516%0.158SC..  trans-109.795.4176.9-48.3-177.894.7-159.57.8109.4S317 M355 S356 Q363S317-R319 WeakPolarHBondContact O-CG 3.41Å; S317-R319 PolarHBondContact O-N 3.1Å; R319-M355 WeakPolarHBondContact CA-O 3.29Å; R319-S356 PolarHBondContact NE-O 3.2Å; R319-S356 PolarHBondContact NH2-O 2.86Å; R319-Q363 PolarHBondContact O-OE1 2.86Å; R319-Q363 VanDerWaalsContact O-OE1 3.1Å
320A93.9Very high95.8Very high0 Ų029.2 Ų29.20%017%0.168CC..  trans-149.3151.8-175.700000111.8L318 M355 Q363 V365L318-A320 HydrophobicContact CD1-CB 4.33Å; L318-A320 HydrophobicContact CD2-CB 4.45Å; L318-A320 HydrophobicContact CG-CB 4.13Å; A320-M355 HydrophobicContact CB-CE 3.8Å; A320-M355 PolarHBondContact O-N 2.86Å; A320-Q363 WeakPolarHBondContact CA-O 3.36Å; A320-Q363 HydrophobicContact CB-CB 4.26Å; A320-V365 HydrophobicContact CB-CG2 4.4Å
321G95.2Very high95.7Very high0 Ų031 Ų310%018%0.179CC..EExtended strand (participates in β ladder)trans-68.8144.1164.900000110Q363 W364 V365G321-Q363 PolarHBondContact N-O 2.89Å; G321-W364 CarbonylContact O-C 3.53Å; G321-W364 VanDerWaalsContact O-CA 3.31Å; G321-W364 WeakPolarHBondContact O-CA 3.32Å; G321-V365 PolarHBondContact O-N 2.9Å
322V96Very high95.5Very high0 Ų031 Ų310%018%0.179CC..EExtended strand (participates in β ladder)trans-117.4140.2175.7-60.60000110.5L337 L351 T352 G353 M355 V365 L376V322-L337 HydrophobicContact CG1-CD2 4.5Å; V322-L337 HydrophobicContact CG2-CD1 4.41Å; V322-L337 HydrophobicContact CG2-CD2 3.86Å; V322-L351 HydrophobicContact CG2-CD2 3.97Å; V322-T352 VanDerWaalsContact O-CA 3.29Å; V322-T352 WeakPolarHBondContact O-CA 3.47Å; V322-G353 WeakPolarHBondContact CG2-O 3.24Å; V322-G353 PolarHBondContact N-O 3.24Å; V322-G353 PolarHBondContact O-N 2.93Å; V322-M355 HydrophobicContact CG1-CE 3.6Å; V322-M355 HydrophobicContact CG1-CG 3.77Å; V322-M355 HydrophobicContact CG1-SD 3.69Å; V322-V365 WeakPolarHBondContact CA-O 3.35Å; V322-V365 HydrophobicContact CG1-CB 4.38Å; V322-L376 HydrophobicContact CG1-CD2 4.23Å
323N97.2Very high95Very high60 Ų6036.6 Ų36.632%0.32122%0.216SC..EExtended strand (participates in β ladder)trans-138.3104.1168.9-176.2-27.1000108.1L351 T352 W364 V365 K366 A367N323-L351 WeakPolarHBondContact CA-O 3.34Å; N323-T352 HydrophobicContact CB-CG2 4.37Å; N323-W364 HydrophobicContact CB-CZ3 4.44Å; N323-V365 PolarHBondContact N-O 2.86Å; N323-K366 HydrophobicContact CB-CG 4.32Å; N323-K366 CarbonylContact O-C 3.57Å; N323-K366 WeakPolarHBondContact O-CA 3.31Å; N323-A367 PolarHBondContact O-N 2.97Å
324L98.4Very high94.7Very high0 Ų042.4 Ų42.40%024%0.243CC..EExtended strand (participates in β ladder)trans-113.6131.9-175.9-48.6-179.4000108.8V329 V331 T350 L351 A367 V374 L376L324-V329 HydrophobicContact CB-CG1 3.81Å; L324-V329 HydrophobicContact CB-CG2 4.46Å; L324-V329 HydrophobicContact CD1-CG1 3.89Å; L324-V331 HydrophobicContact CD1-CG2 4.13Å; L324-T350 CarbonylContact O-C 3.52Å; L324-T350 VanDerWaalsContact O-CA 3.29Å; L324-T350 WeakPolarHBondContact O-CA 3.37Å; L324-L351 HydrophobicContact CB-CB 4.37Å; L324-L351 HydrophobicContact CD1-CD2 4.12Å; L324-L351 HydrophobicContact CG-CD2 4.38Å; L324-L351 PolarHBondContact N-O 3.16Å; L324-L351 PolarHBondContact O-N 2.81Å; L324-A367 CarbonylContact C-O 3.23Å; L324-A367 WeakPolarHBondContact CA-O 3.33Å; L324-A367 HydrophobicContact CD2-CB 3.88Å; L324-V374 HydrophobicContact CB-CG1 4.03Å; L324-V374 HydrophobicContact CD2-CG1 4.1Å; L324-V374 HydrophobicContact CG-CG1 4.43Å; L324-L376 HydrophobicContact CD1-CB 3.86Å; L324-L376 HydrophobicContact CD1-CD2 4.03Å
325C98.2Very high94.5Very high11 Ų1143.1 Ų43.17%0.07425%0.247CC..EExtended strand (participates in β ladder)trans-141.2127-179.4-174.60000111.6Q348 T349 A367 R368 A369 V374C325-Q348 PolarHBondContact SG-OE1 2.79Å; C325-T349 WeakPolarHBondContact CA-O 3.36Å; C325-A367 PolarHBondContact N-O 2.83Å; C325-R368 HydrophobicContact CB-CG 4.28Å; C325-R368 CarbonylContact O-C 3.52Å; C325-R368 VanDerWaalsContact O-CA 3.25Å; C325-R368 WeakPolarHBondContact O-CA 3.26Å; C325-A369 PolarHBondContact O-N 2.91Å; C325-V374 WeakPolarHBondContact O-CG2 3.36Å
326G97.9Very high94.2Very high0 Ų048.4 Ų48.40%027%0.274CS..EExtended strand (participates in β ladder)trans-175.7-177.1171.100000112.9A328 T349 A369G326-A328 PolarHBondContact O-N 2.86Å; G326-T349 PolarHBondContact N-O 2.83Å; G326-T349 PolarHBondContact O-N 3.2Å; G326-A369 WeakPolarHBondContact CA-O 3.45Å
327V97.7Very high94.3Very high80 Ų8045.8 Ų45.849%0.48525%0.253SS..EExtended strand (participates in β ladder)trans-55.9-39.7177.5176.30000110.8G372V327-G372 WeakPolarHBondContact CB-O 3.44Å; V327-G372 PolarHBondContact N-O 2.86Å
328A97.1Very high94.3Very high38 Ų3847.2 Ų47.231%0.31425%0.253SS..EExtended strand (participates in β ladder)trans-135.4144.2169.900000109.9G326 S373 V374G326-A328 PolarHBondContact O-N 2.86Å; A328-S373 CarbonylContact O-C 3.5Å; A328-S373 VanDerWaalsContact O-CA 3.27Å; A328-S373 WeakPolarHBondContact O-CA 3.26Å; A328-V374 PolarHBondContact O-N 3.47Å
329V97.9Very high94.2Very high5 Ų553.6 Ų53.63%0.0329%0.287CS..EExtended strand (participates in β ladder)trans-123.1117.6174.8179.10000109.1L324 V331 T349 L351 V374L324-V329 HydrophobicContact CB-CG1 3.81Å; L324-V329 HydrophobicContact CB-CG2 4.46Å; L324-V329 HydrophobicContact CD1-CG1 3.89Å; V329-V331 HydrophobicContact CG1-CG2 4.5Å; V329-T349 HydrophobicContact CB-CG2 4.1Å; V329-T349 HydrophobicContact CG2-CG2 4.06Å; V329-T349 WeakPolarHBondContact CG2-O 3.2Å; V329-L351 HydrophobicContact CG1-CB 3.96Å; V329-L351 HydrophobicContact CG1-CD1 4.29Å; V329-V374 WeakPolarHBondContact CA-O 3.19Å; V329-V374 HydrophobicContact CG2-CB 4.45Å
330N97.1Very high94.2Very high91 Ų9151.4 Ų51.449%0.48728%0.283SS..EExtended strand (participates in β ladder)trans-116.7119.5-178.1-63.6-43.3000110V374 Q375 L376N330-V374 PolarHBondContact N-O 3.05Å; N330-Q375 HydrophobicContact CB-CG 4.49Å; N330-Q375 CarbonylContact O-C 3.48Å; N330-Q375 VanDerWaalsContact O-CA 3.27Å; N330-Q375 WeakPolarHBondContact O-CA 3.5Å; N330-L376 PolarHBondContact O-N 3.16Å
331V96.6Very high94.2Very high39 Ų3958 Ų5824%0.23631%0.313CS..EExtended strand (participates in β ladder)trans-110.5128.6175.2-178.50000107.7L324 V329 V335 L337 L351 L376L324-V331 HydrophobicContact CD1-CG2 4.13Å; V329-V331 HydrophobicContact CG1-CG2 4.5Å; V331-V335 HydrophobicContact CG1-CB 3.71Å; V331-V335 HydrophobicContact CG1-CG1 3.96Å; V331-V335 HydrophobicContact CG1-CG2 4.37Å; V331-L337 HydrophobicContact CG1-CD1 4.05Å; V331-L337 HydrophobicContact CG2-CD1 4.2Å; V331-L351 HydrophobicContact CG2-CD1 3.84Å; V331-L376 HydrophobicContact CG1-CD2 4.43Å; V331-L376 HydrophobicContact CG2-CB 4.36Å
332S94.3Very high94.2Very high21 Ų2164.3 Ų64.315%0.14734%0.337CS..  trans-70.6143.9-179.4-480000110.1E334 V335 L376 R377S332-E334 WeakPolarHBondContact CB-OE2 3.37Å; S332-E334 PolarHBondContact O-N 2.97Å; S332-V335 WeakPolarHBondContact O-CB 3.45Å; S332-V335 PolarHBondContact O-N 2.8Å; S332-L376 PolarHBondContact N-O 2.92Å; S332-L376 PolarHBondContact OG-O 3.35Å; S332-R377 WeakPolarHBondContact OG-CA 3.25Å; S332-R377 WeakPolarHBondContact OG-CB 3.27Å
333P89.3Confident94.2Very high117 Ų11773.2 Ų73.276%0.7637%0.371SS*.THydrogen-bonded Turntrans-58.5-23.3-174.2-24.834.6000114.9V335P333-V335 PolarHBondContact O-N 2.91Å
334E90Very high94.1Very high127 Ų12775 Ų7559%0.59338%0.384SS*.THydrogen-bonded Turntrans-72.8-17.2178.6-53.977.3-167.400112.6S332 L336S332-E334 WeakPolarHBondContact CB-OE2 3.37Å; S332-E334 PolarHBondContact O-N 2.97Å; E334-L336 PolarHBondContact O-N 2.79Å
335V91.1Very high93.8Very high16 Ų1676.8 Ų76.810%0.09740%0.399CS..SBendtrans-87.4107.7178.5-176.50000109.2V331 S332 P333 L337 M355 L376 T378V331-V335 HydrophobicContact CG1-CB 3.71Å; V331-V335 HydrophobicContact CG1-CG1 3.96Å; V331-V335 HydrophobicContact CG1-CG2 4.37Å; S332-V335 WeakPolarHBondContact O-CB 3.45Å; S332-V335 PolarHBondContact O-N 2.8Å; P333-V335 PolarHBondContact O-N 2.91Å; V335-L337 HydrophobicContact CG1-CD2 4.07Å; V335-L337 HydrophobicContact CG1-CG 4.26Å; V335-L337 PolarHBondContact O-N 2.88Å; V335-M355 HydrophobicContact CG1-CG 4.34Å; V335-M355 HydrophobicContact CG1-SD 4.29Å; V335-L376 HydrophobicContact CG1-CD2 3.88Å; V335-L376 HydrophobicContact CG1-CG 4.28Å; V335-L376 HydrophobicContact CG2-CG 4.39Å; V335-T378 WeakPolarHBondContact CG2-OG1 3.39Å
336L89.1Confident93.4Very high122 Ų12284.1 Ų84.164%0.63944%0.437SS*.  trans-86109.9178.2-59179.6000111E334E334-L336 PolarHBondContact O-N 2.79Å
337L91.4Very high93.1Very high32 Ų3287 Ų8717%0.16847%0.467CS..EExtended strand (participates in β ladder)trans-101134.3175.9-62.4-179.7000111.4V322 V331 V335 L351 C354 M355V322-L337 HydrophobicContact CG1-CD2 4.5Å; V322-L337 HydrophobicContact CG2-CD1 4.41Å; V322-L337 HydrophobicContact CG2-CD2 3.86Å; V331-L337 HydrophobicContact CG1-CD1 4.05Å; V331-L337 HydrophobicContact CG2-CD1 4.2Å; V335-L337 HydrophobicContact CG1-CD2 4.07Å; V335-L337 HydrophobicContact CG1-CG 4.26Å; V335-L337 PolarHBondContact O-N 2.88Å; L337-L351 HydrophobicContact CD1-CD1 4.41Å; L337-L351 HydrophobicContact CD1-CD2 3.73Å; L337-C354 WeakPolarHBondContact CA-O 3.28Å; L337-M355 HydrophobicContact CD2-CG 3.5Å; L337-M355 VanDerWaalsContact CD2-CG 3.5Å
338H89.6Confident93Very high93 Ų9385.8 Ų85.843%0.43146%0.456SS..EExtended strand (participates in β ladder)trans-104.1152.3170.9-55.875.1000109E340 G353 C354H338-E340 PolarHBondContact O-N 3.01Å; H338-G353 CarbonylContact O-C 3.56Å; H338-G353 WeakPolarHBondContact O-CA 3.35Å; H338-C354 PolarHBondContact N-O 2.79Å; H338-C354 PolarHBondContact ND1-O 2.98Å; H338-C354 PolarHBondContact O-N 2.78Å
339D89Confident93Very high135 Ų13584.8 Ų84.872%0.72245%0.446SS*.EExtended strand (participates in β ladder)trans5238.1-179.4-55.4-45000113.3Q341D339-Q341 PolarHBondContact O-N 2.9Å
340E91.9Very high93Very high92 Ų9287 Ų8743%0.4346%0.46SS..EExtended strand (participates in β ladder)trans-63.5123.9-179.2-175-177.5166.500110.5H338 R342 L351 T352H338-E340 PolarHBondContact O-N 3.01Å; E340-R342 IonicContact OE1-CZ 3.82Å; E340-R342 IonicContact OE1-NE 3.43Å; E340-R342 PolarHBondContact OE1-NE 2.86Å; E340-R342 IonicContact OE1-NH2 2.75Å; E340-R342 PolarHBondContact OE1-NH2 3.46Å; E340-L351 HydrophobicContact CG-CD1 4.23Å; E340-L351 HydrophobicContact CG-CG 4.29Å; E340-L351 VanDerWaalsContact OE1-CD1 3.29Å; E340-L351 WeakPolarHBondContact OE1-CD1 3.41Å; E340-T352 WeakPolarHBondContact CA-O 3.49Å
341Q93.6Very high93Very high139 Ų13982.7 Ų82.765%0.6544%0.437SS*.EExtended strand (participates in β ladder)trans-121.6121.7168.2-61.5179400108.6D339 L351 T352D339-Q341 PolarHBondContact O-N 2.9Å; Q341-L351 WeakPolarHBondContact O-CA 3.33Å; Q341-T352 PolarHBondContact N-O 2.87Å; Q341-T352 PolarHBondContact O-N 2.86Å
342R95.9Very high92.9Very high133 Ų13382.7 Ų82.750%0.50244%0.437SS..EExtended strand (participates in β ladder)trans-118.1126.8177.7-170.7178.6-61.3-149.50109.7E340 T349 T350 L351E340-R342 IonicContact OE1-CZ 3.82Å; E340-R342 IonicContact OE1-NE 3.43Å; E340-R342 PolarHBondContact OE1-NE 2.86Å; E340-R342 IonicContact OE1-NH2 2.75Å; E340-R342 PolarHBondContact OE1-NH2 3.46Å; R342-T349 HydrophobicContact CG-CG2 4.04Å; R342-T350 WeakPolarHBondContact CA-O 3.14Å; R342-L351 VanDerWaalsContact NH2-CD1 3.32Å
343R95.3Very high92.9Very high186 Ų18682.1 Ų82.170%0.70243%0.434SS*.EExtended strand (participates in β ladder)trans-132133.3178.1-176.3177.2177.4-174.4-2.4109.8T349 T350R343-T349 WeakPolarHBondContact O-CA 3.38Å; R343-T350 PolarHBondContact N-O 2.83Å; R343-T350 PolarHBondContact O-N 3.47Å
344T94.5Very high93Very high98 Ų9877.8 Ų77.860%0.60141%0.407SS*.EExtended strand (participates in β ladder)trans-113.3122.9171.1-56.30000108.7Q348 T349T344-Q348 CarbonylContact C-O 3.55Å; T344-Q348 VanDerWaalsContact CA-O 3.28Å; T344-Q348 WeakPolarHBondContact CA-O 3.43Å; T344-T349 PolarHBondContact OG1-OG1 2.9Å
345A92.4Very high93.1Very high38 Ų3872 Ų7231%0.31438%0.379SS..EExtended strand (participates in β ladder)trans-149.8144178.700000109.3G347 Q348A345-G347 PolarHBondContact O-N 2.83Å; A345-G347 VanDerWaalsContact O-N 3.12Å; A345-Q348 PolarHBondContact N-O 2.86Å; A345-Q348 PolarHBondContact O-N 2.86Å
346D90.6Very high92.5Very high164 Ų16473.4 Ų73.488%0.87739%0.39SS*.THydrogen-bonded Turntrans53.534.9174.6-52.1-38.5000114.7Q348D346-Q348 PolarHBondContact O-N 2.9Å
347G90.6Very high91.5Very high60 Ų6068.6 Ų68.662%0.61937%0.37SS*.THydrogen-bonded Turntrans73.56.4-17800000114.8A345A345-G347 PolarHBondContact O-N 2.83Å; A345-G347 VanDerWaalsContact O-N 3.12Å
348Q95Very high90.4Very high55 Ų5575.4 Ų75.426%0.25740%0.401SS..EExtended strand (participates in β ladder)trans-112.4143.9173.2-69.6-179.738.500110.8C325 T344 A345 D346C325-Q348 PolarHBondContact SG-OE1 2.79Å; T344-Q348 CarbonylContact C-O 3.55Å; T344-Q348 VanDerWaalsContact CA-O 3.28Å; T344-Q348 WeakPolarHBondContact CA-O 3.43Å; A345-Q348 PolarHBondContact N-O 2.86Å; A345-Q348 PolarHBondContact O-N 2.86Å; D346-Q348 PolarHBondContact O-N 2.9Å
349T97.5Very high89.4Confident18 Ų1872.8 Ų72.811%0.1139%0.392CS..EExtended strand (participates in β ladder)trans-107.5125.5170.1-60.80000108.4C325 G326 V329 R342 R343 T344C325-T349 WeakPolarHBondContact CA-O 3.36Å; G326-T349 PolarHBondContact N-O 2.83Å; G326-T349 PolarHBondContact O-N 3.2Å; V329-T349 HydrophobicContact CB-CG2 4.1Å; V329-T349 HydrophobicContact CG2-CG2 4.06Å; V329-T349 WeakPolarHBondContact CG2-O 3.2Å; R342-T349 HydrophobicContact CG-CG2 4.04Å; R343-T349 WeakPolarHBondContact O-CA 3.38Å; T344-T349 PolarHBondContact OG1-OG1 2.9Å
350T97.3Very high88.6Confident51 Ų5168.9 Ų68.931%0.31338%0.379SS..EExtended strand (participates in β ladder)trans-110.8133.8172.1-53.70000109.2L324 R342 R343L324-T350 CarbonylContact O-C 3.52Å; L324-T350 VanDerWaalsContact O-CA 3.29Å; L324-T350 WeakPolarHBondContact O-CA 3.37Å; R342-T350 WeakPolarHBondContact CA-O 3.14Å; R343-T350 PolarHBondContact N-O 2.83Å; R343-T350 PolarHBondContact O-N 3.47Å
351L97.3Very high87.4Confident0 Ų070.7 Ų70.70%040%0.396CS..EExtended strand (participates in β ladder)trans-124.8130.8174-178.4150.8000109.4V322 N323 L324 V329 V331 L337 E340 Q341 R342V322-L351 HydrophobicContact CG2-CD2 3.97Å; N323-L351 WeakPolarHBondContact CA-O 3.34Å; L324-L351 HydrophobicContact CB-CB 4.37Å; L324-L351 HydrophobicContact CD1-CD2 4.12Å; L324-L351 HydrophobicContact CG-CD2 4.38Å; L324-L351 PolarHBondContact N-O 3.16Å; L324-L351 PolarHBondContact O-N 2.81Å; V329-L351 HydrophobicContact CG1-CB 3.96Å; V329-L351 HydrophobicContact CG1-CD1 4.29Å; V331-L351 HydrophobicContact CG2-CD1 3.84Å; L337-L351 HydrophobicContact CD1-CD1 4.41Å; L337-L351 HydrophobicContact CD1-CD2 3.73Å; E340-L351 HydrophobicContact CG-CD1 4.23Å; E340-L351 HydrophobicContact CG-CG 4.29Å; E340-L351 VanDerWaalsContact OE1-CD1 3.29Å; E340-L351 WeakPolarHBondContact OE1-CD1 3.41Å; Q341-L351 WeakPolarHBondContact O-CA 3.33Å; R342-L351 VanDerWaalsContact NH2-CD1 3.32Å
352T96Very high86.8Confident40 Ų4070.3 Ų70.325%0.24540%0.398CS..EExtended strand (participates in β ladder)trans-126.5150.6170.3560000110.6V322 N323 E340 Q341V322-T352 VanDerWaalsContact O-CA 3.29Å; V322-T352 WeakPolarHBondContact O-CA 3.47Å; N323-T352 HydrophobicContact CB-CG2 4.37Å; E340-T352 WeakPolarHBondContact CA-O 3.49Å; Q341-T352 PolarHBondContact N-O 2.87Å; Q341-T352 PolarHBondContact O-N 2.86Å
353G94Very high86.6Confident9 Ų966.4 Ų66.49%0.09339%0.386CS..EExtended strand (participates in β ladder)trans174.6-170.8177.400000111.5V322 H338V322-G353 WeakPolarHBondContact CG2-O 3.24Å; V322-G353 PolarHBondContact N-O 3.24Å; V322-G353 PolarHBondContact O-N 2.93Å; H338-G353 CarbonylContact O-C 3.56Å; H338-G353 WeakPolarHBondContact O-CA 3.35Å
354C91.9Very high86.6Confident26 Ų2662.1 Ų62.118%0.17637%0.37CS..EExtended strand (participates in β ladder)trans-126.8130.6-179.9-65.90000111.3L337 H338L337-C354 WeakPolarHBondContact CA-O 3.28Å; H338-C354 PolarHBondContact N-O 2.79Å; H338-C354 PolarHBondContact ND1-O 2.98Å; H338-C354 PolarHBondContact O-N 2.78Å
355M90.8Very high86.7Confident4 Ų457.4 Ų57.42%0.0234%0.341CS..EExtended strand (participates in β ladder)trans-86.6136173.9-66.5179.7-56.700111.1V314 L318 R319 A320 V322 V335 L337 G357 V365 L376V314-M355 HydrophobicContact CG2-SD 4.09Å; L318-M355 HydrophobicContact CB-CE 4.45Å; L318-M355 HydrophobicContact CD2-CE 3.46Å; L318-M355 VanDerWaalsContact CD2-CE 3.46Å; L318-M355 HydrophobicContact CG-CE 3.81Å; L318-M355 WeakPolarHBondContact O-CB 3.4Å; R319-M355 WeakPolarHBondContact CA-O 3.29Å; A320-M355 HydrophobicContact CB-CE 3.8Å; A320-M355 PolarHBondContact O-N 2.86Å; V322-M355 HydrophobicContact CG1-CE 3.6Å; V322-M355 HydrophobicContact CG1-CG 3.77Å; V322-M355 HydrophobicContact CG1-SD 3.69Å; V335-M355 HydrophobicContact CG1-CG 4.34Å; V335-M355 HydrophobicContact CG1-SD 4.29Å; L337-M355 HydrophobicContact CD2-CG 3.5Å; L337-M355 VanDerWaalsContact CD2-CG 3.5Å; M355-G357 VanDerWaalsContact C-N 3.27Å; M355-G357 PolarHBondContact O-N 2.93Å; M355-V365 HydrophobicContact CE-CG2 4.17Å; M355-L376 HydrophobicContact SD-CD2 4.1Å
356S77.9Confident87Confident47 Ų4760.3 Ų60.333%0.32935%0.346SS..SBendtrans52.530.2166-580000117.3S316 L318 R319S316-S356 PolarHBondContact O-OG 3.44Å; L318-S356 WeakPolarHBondContact O-CB 3.28Å; R319-S356 PolarHBondContact NE-O 3.2Å; R319-S356 PolarHBondContact NH2-O 2.86Å
357G69.1Low87.3Confident21 Ų2152.6 Ų52.622%0.21631%0.305CS..SBendtrans114.9-166.5173.900000113.9M355 P359M355-G357 VanDerWaalsContact C-N 3.27Å; M355-G357 PolarHBondContact O-N 2.93Å; G357-P359 WeakPolarHBondContact O-CD 3.36Å
358E68.1Low87.7Confident174 Ų17455.2 Ų55.281%0.81330%0.297SS*.SBendtrans-64.2123.3177.3-74.3-171.6163.700110.7
359P68.5Low87.9Confident39 Ų3952.6 Ų52.625%0.25328%0.284SS..PPolyproline II helixtrans-71.4152.3178.930.1-34.2000110.7G357G357-P359 WeakPolarHBondContact O-CD 3.36Å
360A71.4Confident87.9Confident53 Ų5353.6 Ų53.644%0.43829%0.289SS..PPolyproline II helixtrans-60.3143.8159.900000108.6D362 Q363A360-D362 PolarHBondContact O-N 3.19Å; A360-Q363 HydrophobicContact CB-CB 4.43Å; A360-Q363 HydrophobicContact CB-CG 4.15Å; A360-Q363 PolarHBondContact O-N 3.03Å
361V67.6Low87.9Confident129 Ų12960.2 Ų60.278%0.78231%0.308SS*.THydrogen-bonded Turntrans-48.6-31-168.1178.50000113.8
362D80.4Confident87.9Confident132 Ų13260.9 Ų60.971%0.70632%0.315SS*.THydrogen-bonded Turntrans-112.18.6-174.3-58.5-42.2000115.2T300 A360T300-D362 PolarHBondContact OG1-O 3.39Å; A360-D362 PolarHBondContact O-N 3.19Å
363Q91.6Very high88Confident51 Ų5161.1 Ų61.124%0.23832%0.318CS..  trans-94106.5-179.3-76.2-179.2200112R319 A320 G321 A360R319-Q363 PolarHBondContact O-OE1 2.86Å; R319-Q363 VanDerWaalsContact O-OE1 3.1Å; A320-Q363 WeakPolarHBondContact CA-O 3.36Å; A320-Q363 HydrophobicContact CB-CB 4.26Å; G321-Q363 PolarHBondContact N-O 2.89Å; A360-Q363 HydrophobicContact CB-CB 4.43Å; A360-Q363 HydrophobicContact CB-CG 4.15Å; A360-Q363 PolarHBondContact O-N 3.03Å
364W95.1Very high88.2Confident95 Ų9560.7 Ų60.736%0.3631%0.314SS..EExtended strand (participates in β ladder)trans-135.2141.7-175.9-74.479.6000112.7T300 A301 G321 N323 K366T300-W364 CarbonylContact C-O 3.57Å; T300-W364 WeakPolarHBondContact CA-O 3.33Å; T300-W364 VanDerWaalsContact CG2-O 3.26Å; T300-W364 WeakPolarHBondContact CG2-O 3.36Å; A301-W364 PolarHBondContact N-O 2.67Å; G321-W364 CarbonylContact O-C 3.53Å; G321-W364 VanDerWaalsContact O-CA 3.31Å; G321-W364 WeakPolarHBondContact O-CA 3.32Å; N323-W364 HydrophobicContact CB-CZ3 4.44Å; W364-K366 HydrophobicContact CB-CG 4.29Å
365V97.2Very high88.5Confident0 Ų063.1 Ų63.10%032%0.323CS..EExtended strand (participates in β ladder)trans-110.7103.2165.9177.40000107.6V295 V312 L318 A320 G321 V322 N323 M355V295-V365 HydrophobicContact CG1-CG2 4.31Å; V312-V365 HydrophobicContact CG1-CG1 3.82Å; L318-V365 HydrophobicContact CD2-CG2 4.19Å; A320-V365 HydrophobicContact CB-CG2 4.4Å; G321-V365 PolarHBondContact O-N 2.9Å; V322-V365 WeakPolarHBondContact CA-O 3.35Å; V322-V365 HydrophobicContact CG1-CB 4.38Å; N323-V365 PolarHBondContact N-O 2.86Å; M355-V365 HydrophobicContact CE-CG2 4.17Å
366K98.3Very high88.8Confident98 Ų9863 Ų6343%0.42632%0.322SS..EExtended strand (participates in β ladder)trans-103.7122.9176.3-58.4-178.8-176.4173.10108.4A301 L303 N323 W364A301-K366 PolarHBondContact O-N 3.44Å; L303-K366 PolarHBondContact N-O 2.85Å; N323-K366 HydrophobicContact CB-CG 4.32Å; N323-K366 CarbonylContact O-C 3.57Å; N323-K366 WeakPolarHBondContact O-CA 3.31Å; W364-K366 HydrophobicContact CB-CG 4.29Å
367A98.6Very high89.7Confident2 Ų264.7 Ų64.72%0.01732%0.321CS..EExtended strand (participates in β ladder)trans-137.2125.918000000110.6L303 V310 V312 N323 L324 C325 V374L303-A367 HydrophobicContact CB-CB 4.35Å; L303-A367 HydrophobicContact CD1-CB 4.5Å; L303-A367 CarbonylContact O-C 3.59Å; L303-A367 WeakPolarHBondContact O-CA 3.38Å; V310-A367 HydrophobicContact CG1-CB 3.95Å; V312-A367 HydrophobicContact CG2-CB 3.94Å; N323-A367 PolarHBondContact O-N 2.97Å; L324-A367 CarbonylContact C-O 3.23Å; L324-A367 WeakPolarHBondContact CA-O 3.33Å; L324-A367 HydrophobicContact CD2-CB 3.88Å; C325-A367 PolarHBondContact N-O 2.83Å; A367-V374 HydrophobicContact CB-CG1 3.82Å
368R98.5Very high90.8Very high116 Ų11665.8 Ų65.844%0.43832%0.324SS..EExtended strand (participates in β ladder)trans-133.7128.1-176.6-176174.5175.5145.54.1111.9L303 H304 T305 C325 D370L303-R368 PolarHBondContact O-N 2.9Å; H304-R368 CarbonylContact C-O 3.58Å; H304-R368 WeakPolarHBondContact CA-O 3.39Å; T305-R368 PolarHBondContact N-O 2.94Å; C325-R368 HydrophobicContact CB-CG 4.28Å; C325-R368 CarbonylContact O-C 3.52Å; C325-R368 VanDerWaalsContact O-CA 3.25Å; C325-R368 WeakPolarHBondContact O-CA 3.26Å; R368-D370 IonicContact CZ-OD1 3.32Å; R368-D370 VanDerWaalsContact CZ-OD1 3.32Å; R368-D370 IonicContact NE-OD1 2.72Å; R368-D370 PolarHBondContact NE-OD1 2.85Å; R368-D370 IonicContact NH2-OD1 3.03Å; R368-D370 PolarHBondContact NH2-OD1 2.79Å
369A98.3Very high91.8Very high0 Ų058.8 Ų58.80%029%0.291CS..EExtended strand (participates in β ladder)trans-125101.9172.400000109.3T305 G308 V310 C325 G326 R371 V374T305-A369 HydrophobicContact CG2-CB 4.09Å; T305-A369 WeakPolarHBondContact O-CA 3.29Å; G308-A369 WeakPolarHBondContact O-CB 3.49Å; V310-A369 HydrophobicContact CG2-CB 4.16Å; C325-A369 PolarHBondContact O-N 2.91Å; G326-A369 WeakPolarHBondContact CA-O 3.45Å; A369-R371 VanDerWaalsContact C-N 3.32Å; A369-R371 PolarHBondContact O-N 3.19Å; A369-V374 HydrophobicContact CB-CG2 3.85Å
370D97.7Very high92.4Very high38 Ų3859.3 Ų59.320%0.20330%0.296CS..EExtended strand (participates in β ladder)trans-62.8-38.1-170.4-68.1-40.8000112.9H304 T305 R306 R368H304-D370 IonicContact CD2-OD2 3.95Å; H304-D370 IonicContact CE1-OD2 3.65Å; H304-D370 IonicContact NE2-OD1 3.8Å; H304-D370 IonicContact NE2-OD2 2.86Å; H304-D370 PolarHBondContact NE2-OD2 2.85Å; T305-D370 PolarHBondContact O-N 3.23Å; R306-D370 HydrophobicContact CG-CB 4.36Å; R368-D370 IonicContact CZ-OD1 3.32Å; R368-D370 VanDerWaalsContact CZ-OD1 3.32Å; R368-D370 IonicContact NE-OD1 2.72Å; R368-D370 PolarHBondContact NE-OD1 2.85Å; R368-D370 IonicContact NH2-OD1 3.03Å; R368-D370 PolarHBondContact NH2-OD1 2.79Å
371R96.9Very high92.3Very high190 Ų19063.6 Ų63.672%0.71730%0.301SS*.EExtended strand (participates in β ladder)trans-121.511.3178.8-56.3-164.5-179.4-171.9-5114R306 D307 A369R306-R371 WeakPolarHBondContact O-CB 3.48Å; R306-R371 PolarHBondContact O-N 2.9Å; D307-R371 VanDerWaalsContact OD1-CD 3.3Å; D307-R371 WeakPolarHBondContact OD1-CD 3.07Å; D307-R371 IonicContact OD1-NE 3.2Å; A369-R371 VanDerWaalsContact C-N 3.32Å; A369-R371 PolarHBondContact O-N 3.19Å
372G97.2Very high92.5Very high14 Ų1462.9 Ų62.914%0.14429%0.292CS..EExtended strand (participates in β ladder)trans-127.4-172.4-179.100000113.2G308 V327G308-G372 WeakPolarHBondContact O-CA 3.35Å; V327-G372 WeakPolarHBondContact CB-O 3.44Å; V327-G372 PolarHBondContact N-O 2.86Å
373S97.9Very high92.1Very high45 Ų4562.1 Ų62.132%0.31528%0.284SS..EExtended strand (participates in β ladder)trans-97.2150.5177.958.30000111.9A309 V310 A328A309-S373 WeakPolarHBondContact CA-O 3.3Å; V310-S373 PolarHBondContact N-O 2.83Å; A328-S373 CarbonylContact O-C 3.5Å; A328-S373 VanDerWaalsContact O-CA 3.27Å; A328-S373 WeakPolarHBondContact O-CA 3.26Å
374V98.6Very high90.9Very high0 Ų059.8 Ų59.80%027%0.273CS..EExtended strand (participates in β ladder)trans-108.6131.5167.6-178.10000109.4V310 L324 C325 A328 V329 N330 A367 A369V310-V374 HydrophobicContact CB-CG2 4.32Å; V310-V374 CarbonylContact O-C 3.54Å; V310-V374 WeakPolarHBondContact O-CA 3.27Å; L324-V374 HydrophobicContact CB-CG1 4.03Å; L324-V374 HydrophobicContact CD2-CG1 4.1Å; L324-V374 HydrophobicContact CG-CG1 4.43Å; C325-V374 WeakPolarHBondContact O-CG2 3.36Å; A328-V374 PolarHBondContact O-N 3.47Å; V329-V374 WeakPolarHBondContact CA-O 3.19Å; V329-V374 HydrophobicContact CG2-CB 4.45Å; N330-V374 PolarHBondContact N-O 3.05Å; A367-V374 HydrophobicContact CB-CG1 3.82Å; A369-V374 HydrophobicContact CB-CG2 3.85Å
375Q98.4Very high89.6Confident78 Ų7857.5 Ų57.536%0.36427%0.268SS..EExtended strand (participates in β ladder)trans-119.9132.6174.1-172.7-179.632.900110.2V310 S311 V312 N330V310-Q375 PolarHBondContact O-N 3.3Å; S311-Q375 WeakPolarHBondContact CA-O 3.21Å; S311-Q375 PolarHBondContact OG-OE1 2.83Å; V312-Q375 PolarHBondContact N-O 2.87Å; N330-Q375 HydrophobicContact CB-CG 4.49Å; N330-Q375 CarbonylContact O-C 3.48Å; N330-Q375 VanDerWaalsContact O-CA 3.27Å; N330-Q375 WeakPolarHBondContact O-CA 3.5Å
376L97.8Very high88.3Confident0 Ų063.4 Ų63.40%029%0.293CS..EExtended strand (participates in β ladder)trans-115.4127.7169.718063.2000109.3V312 V314 V322 L324 N330 V331 S332 V335 M355V312-L376 HydrophobicContact CB-CD1 3.92Å; V312-L376 HydrophobicContact CG1-CD1 4.1Å; V314-L376 HydrophobicContact CG1-CD1 3.94Å; V314-L376 HydrophobicContact CG2-CD1 4.03Å; V322-L376 HydrophobicContact CG1-CD2 4.23Å; L324-L376 HydrophobicContact CD1-CB 3.86Å; L324-L376 HydrophobicContact CD1-CD2 4.03Å; N330-L376 PolarHBondContact O-N 3.16Å; V331-L376 HydrophobicContact CG1-CD2 4.43Å; V331-L376 HydrophobicContact CG2-CB 4.36Å; S332-L376 PolarHBondContact N-O 2.92Å; S332-L376 PolarHBondContact OG-O 3.35Å; V335-L376 HydrophobicContact CG1-CD2 3.88Å; V335-L376 HydrophobicContact CG1-CG 4.28Å; V335-L376 HydrophobicContact CG2-CG 4.39Å; M355-L376 HydrophobicContact SD-CD2 4.1Å
377R96.3Very high86.6Confident84 Ų8464.6 Ų64.632%0.31730%0.304SS..EExtended strand (participates in β ladder)trans-142.3152.4-179.264.4178.9173.8141.6-5.9112.6V312 R313 V314 S332V312-R377 PolarHBondContact O-N 3.25Å; R313-R377 WeakPolarHBondContact CA-O 3.37Å; R313-R377 HydrophobicContact CG-CG 4.12Å; V314-R377 PolarHBondContact N-O 2.82Å; S332-R377 WeakPolarHBondContact OG-CA 3.25Å; S332-R377 WeakPolarHBondContact OG-CB 3.27Å
378T92.3Very high84Confident43 Ų4376.4 Ų76.426%0.26435%0.348SS..EExtended strand (participates in β ladder)trans-79.3141.8170.4-52.40000110.4V314 V335V314-T378 CarbonylContact O-C 3.55Å; V314-T378 VanDerWaalsContact O-CA 3.22Å; V314-T378 WeakPolarHBondContact O-CA 3.33Å; V335-T378 WeakPolarHBondContact CG2-OG1 3.39Å
379Q90.1Very high81Confident28 Ų2879.9 Ų79.913%0.13139%0.39CS..  trans-144.4138.3166.5-172.1-177.119.500108.4Y294 R313 V314 E383Y294-Q379 HydrophobicContact CD2-CB 4.41Å; Y294-Q379 HydrophobicContact CE2-CB 4.31Å; R313-Q379 HydrophobicContact CB-CB 4.23Å; V314-Q379 PolarHBondContact O-N 2.98Å; Q379-E383 HydrophobicContact CG-CB 3.88Å; Q379-E383 PolarHBondContact NE2-O 2.86Å
380S79.4Confident80.2Confident50 Ų5083.9 Ų83.935%0.3541%0.409SS..  trans-72.2151.217470.60000111.3L382 E383 S384S380-L382 PolarHBondContact O-N 3.17Å; S380-E383 WeakPolarHBondContact CB-OE2 3.29Å; S380-E383 PolarHBondContact N-OE2 3.03Å; S380-E383 PolarHBondContact O-N 2.76Å; S380-E383 WeakPolarHBondContact OG-CB 3.44Å; S380-E383 WeakPolarHBondContact OG-CG 3.44Å; S380-E383 PolarHBondContact OG-N 3.3Å; S380-E383 PolarHBondContact OG-OE2 2.72Å; S380-S384 PolarHBondContact O-N 3Å; S380-S384 VanDerWaalsContact O-N 3.1Å
381W70.7Confident79.3Confident143 Ų14386.3 Ų86.354%0.54242%0.42SS..Hα-helixtrans-59.3-36.4174.6176.883.6000112.3E383 S384 L385W381-E383 VanDerWaalsContact C-N 3.32Å; W381-E383 PolarHBondContact O-N 2.87Å; W381-S384 PolarHBondContact O-N 2.89Å; W381-S384 VanDerWaalsContact O-N 3.14Å; W381-S384 PolarHBondContact O-OG 3.2Å; W381-L385 HydrophobicContact CD2-CD1 4.49Å; W381-L385 HydrophobicContact CD2-CG 4.42Å; W381-L385 HydrophobicContact CE3-CD1 4.14Å; W381-L385 HydrophobicContact CE3-CG 4.49Å; W381-L385 HydrophobicContact CH2-CD1 3.57Å; W381-L385 HydrophobicContact CH2-CD2 4.34Å; W381-L385 HydrophobicContact CH2-CG 4.32Å; W381-L385 HydrophobicContact CZ2-CD1 3.91Å; W381-L385 HydrophobicContact CZ2-CD2 3.81Å; W381-L385 HydrophobicContact CZ2-CG 4.19Å; W381-L385 HydrophobicContact CZ3-CD1 3.67Å; W381-L385 HydrophobicContact CZ3-CG 4.44Å; W381-L385 PolarHBondContact O-N 2.8Å
382L70.3Confident78.3Confident114 Ų11480.5 Ų80.560%0.59740%0.404SS*.Hα-helixtrans-63-39.6178.3-174.266000111.9S380 S384 L385 L387S380-L382 PolarHBondContact O-N 3.17Å; L382-S384 VanDerWaalsContact C-N 3.33Å; L382-L385 HydrophobicContact CD1-CD1 4.46Å; L382-L385 PolarHBondContact O-N 3.03Å; L382-L387 HydrophobicContact CD1-CD1 4.1Å
383E73.3Confident77.2Confident116 Ų11684.4 Ų84.454%0.54242%0.419SS..Hα-helixtrans-69.4-30.4175.2-70.3161.5153.800112.3Q379 S380 W381 L385 K386Q379-E383 HydrophobicContact CG-CB 3.88Å; Q379-E383 PolarHBondContact NE2-O 2.86Å; S380-E383 WeakPolarHBondContact CB-OE2 3.29Å; S380-E383 PolarHBondContact N-OE2 3.03Å; S380-E383 PolarHBondContact O-N 2.76Å; S380-E383 WeakPolarHBondContact OG-CB 3.44Å; S380-E383 WeakPolarHBondContact OG-CG 3.44Å; S380-E383 PolarHBondContact OG-N 3.3Å; S380-E383 PolarHBondContact OG-OE2 2.72Å; W381-E383 VanDerWaalsContact C-N 3.32Å; W381-E383 PolarHBondContact O-N 2.87Å; E383-L385 VanDerWaalsContact C-N 3.26Å; E383-L385 PolarHBondContact O-N 2.8Å; E383-K386 PolarHBondContact O-N 2.92Å
384S66.8Low75.9Confident1 Ų186.9 Ų86.91%0.00743%0.425CS..Hα-helixtrans-69.2-25.6178.879.40000112.6S380 W381 L382 K386S380-S384 PolarHBondContact O-N 3Å; S380-S384 VanDerWaalsContact O-N 3.1Å; W381-S384 PolarHBondContact O-N 2.89Å; W381-S384 VanDerWaalsContact O-N 3.14Å; W381-S384 PolarHBondContact O-OG 3.2Å; L382-S384 VanDerWaalsContact C-N 3.33Å; S384-K386 PolarHBondContact O-N 3.27Å
385L67.3Low74.4Confident48 Ų4892.7 Ų92.725%0.25145%0.454SS..THydrogen-bonded Turntrans-67.5-14175.1-62.6-175.8000114.3H259 W381 L382 E383 L387H259-L385 WeakPolarHBondContact NE2-CD2 3.28Å; W381-L385 HydrophobicContact CD2-CD1 4.49Å; W381-L385 HydrophobicContact CD2-CG 4.42Å; W381-L385 HydrophobicContact CE3-CD1 4.14Å; W381-L385 HydrophobicContact CE3-CG 4.49Å; W381-L385 HydrophobicContact CH2-CD1 3.57Å; W381-L385 HydrophobicContact CH2-CD2 4.34Å; W381-L385 HydrophobicContact CH2-CG 4.32Å; W381-L385 HydrophobicContact CZ2-CD1 3.91Å; W381-L385 HydrophobicContact CZ2-CD2 3.81Å; W381-L385 HydrophobicContact CZ2-CG 4.19Å; W381-L385 HydrophobicContact CZ3-CD1 3.67Å; W381-L385 HydrophobicContact CZ3-CG 4.44Å; W381-L385 PolarHBondContact O-N 2.8Å; L382-L385 HydrophobicContact CD1-CD1 4.46Å; L382-L385 PolarHBondContact O-N 3.03Å; E383-L385 VanDerWaalsContact C-N 3.26Å; E383-L385 PolarHBondContact O-N 2.8Å; L385-L387 HydrophobicContact CB-CD1 4.34Å; L385-L387 HydrophobicContact CB-CD2 4.34Å; L385-L387 HydrophobicContact CB-CG 3.83Å; L385-L387 HydrophobicContact CD1-CD1 4.01Å; L385-L387 HydrophobicContact CD1-CG 4.33Å; L385-L387 PolarHBondContact O-N 3.3Å
386K69.3Low72.6Confident123 Ų12393.7 Ų93.754%0.53546%0.46SS..THydrogen-bonded Turntrans4739.1-178.3-60.2173.2-174.1160.50112.8D276 E383 S384 R388D276-K386 WeakPolarHBondContact OD1-CE 3.45Å; D276-K386 IonicContact OD1-NZ 2.84Å; D276-K386 PolarHBondContact OD1-NZ 2.89Å; D276-K386 IonicContact OD2-NZ 3.1Å; D276-K386 PolarHBondContact OD2-NZ 2.9Å; E383-K386 PolarHBondContact O-N 2.92Å; S384-K386 PolarHBondContact O-N 3.27Å; K386-R388 PolarHBondContact O-N 3.29Å
387L62.7Low70.7Confident124 Ų124100.9 Ų100.965%0.64950%0.496SS*.  trans-61.2122.6176.2-63.3174000107.9L382 L385 S389L382-L387 HydrophobicContact CD1-CD1 4.1Å; L385-L387 HydrophobicContact CB-CD1 4.34Å; L385-L387 HydrophobicContact CB-CD2 4.34Å; L385-L387 HydrophobicContact CB-CG 3.83Å; L385-L387 HydrophobicContact CD1-CD1 4.01Å; L385-L387 HydrophobicContact CD1-CG 4.33Å; L385-L387 PolarHBondContact O-N 3.3Å; L387-S389 PolarHBondContact O-N 3.12Å
388R44Very low68.6Low250 Ų250102.3 Ų102.394%0.94351%0.51SS*.  trans-58.3121.7176-77-176.5172.3-176.1-3.7108.6K386K386-R388 PolarHBondContact O-N 3.29Å
389S36.8Very low66.4Low188 Ų188107.7 Ų107.7100%1.31553%0.533SS*.  trans-71.10160.9610000110.7L387L387-S389 PolarHBondContact O-N 3.12Å

Retrieved 389 of 389 residues in 144.9 ms (Link to these results)