A0A087XHQ3_POEFO Loading...

Neurexophilin 4

AlphaFold DB , UniProt , Accession A0A087XHQ3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 286 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
1M55.9Low72.4Confident223 Ų223121.3 Ų121.3100%1.09964%0.64SS**  0-39.80-70.1-64-14400113.7
2Q56.8Low72.8Confident170 Ų170116.7 Ų116.779%0.79462%0.624SS**Hα-helixtrans-72-31.1-177.4-76.2179.5-23.100115.2L4 G5Q2-L4 PolarHBondContact O-N 2.91Å; Q2-G5 PolarHBondContact O-N 3.02Å
3V63.6Low73Confident116 Ų116116.9 Ų116.970%0.70362%0.619SS**Hα-helixtrans-70.4-33.4-175.8-1740000112.8G5 W6 T7V3-G5 VanDerWaalsContact C-N 3.33Å; V3-G5 PolarHBondContact O-N 2.9Å; V3-W6 PolarHBondContact O-N 2.98Å; V3-T7 PolarHBondContact O-N 2.91Å
4L67.5Low73.6Confident131 Ų131120.4 Ų120.469%0.68662%0.62SS**Hα-helixtrans-68.6-30.6175.2-102.493.2000112.9Q2 W6 T7 T8Q2-L4 PolarHBondContact O-N 2.91Å; L4-W6 VanDerWaalsContact C-N 3.34Å; L4-T7 PolarHBondContact O-OG1 3.35Å; L4-T8 PolarHBondContact O-N 2.81Å; L4-T8 PolarHBondContact O-OG1 2.91Å
5G72.5Confident73.7Confident38 Ų38118.3 Ų118.339%0.39261%0.609SS.*Hα-helixtrans-65.3-41.5177.500000111.5Q2 V3 T8 V9Q2-G5 PolarHBondContact O-N 3.02Å; V3-G5 VanDerWaalsContact C-N 3.33Å; V3-G5 PolarHBondContact O-N 2.9Å; G5-T8 PolarHBondContact O-N 2.77Å; G5-V9 WeakPolarHBondContact O-CG2 3.35Å; G5-V9 PolarHBondContact O-N 2.96Å; G5-V9 VanDerWaalsContact O-N 3.11Å
6W73.6Confident73.4Confident195 Ų195117.8 Ų117.874%0.73961%0.607SS**Hα-helixtrans-70.9-39-178.5-79.967.7000112.9V3 L4 T8 V9 L10V3-W6 PolarHBondContact O-N 2.98Å; L4-W6 VanDerWaalsContact C-N 3.34Å; W6-T8 VanDerWaalsContact C-N 3.3Å; W6-T8 PolarHBondContact O-N 3.07Å; W6-V9 PolarHBondContact O-N 3.23Å; W6-L10 WeakPolarHBondContact O-CG 2.88Å; W6-L10 PolarHBondContact O-N 2.89Å
7T80.4Confident72.9Confident80 Ų80118.9 Ų118.949%0.49161%0.609SS.*Hα-helixtrans-65-37.1175.854.80000111.6V3 L4 L11V3-T7 PolarHBondContact O-N 2.91Å; L4-T7 PolarHBondContact O-OG1 3.35Å; T7-L11 WeakPolarHBondContact O-CB 3.17Å; T7-L11 PolarHBondContact O-N 2.79Å
8T78.7Confident72.4Confident79 Ų79120.3 Ų120.349%0.48561%0.61SS.*Hα-helixtrans-67.9-40.4177.9-46.50000111.6L4 G5 W6 L11 C12L4-T8 PolarHBondContact O-N 2.81Å; L4-T8 PolarHBondContact O-OG1 2.91Å; G5-T8 PolarHBondContact O-N 2.77Å; W6-T8 VanDerWaalsContact C-N 3.3Å; W6-T8 PolarHBondContact O-N 3.07Å; T8-L11 PolarHBondContact O-N 2.71Å; T8-C12 WeakPolarHBondContact O-CB 2.97Å; T8-C12 PolarHBondContact O-N 2.9Å; T8-C12 PolarHBondContact O-SG 3.19Å; T8-C12 VanDerWaalsContact O-SG 3.33Å
9V80.8Confident71.5Confident89 Ų89118.9 Ų118.954%0.53961%0.608SS.*Hα-helixtrans-66.9-41.6177.8172.30000111.8G5 W6 C12 Q13G5-V9 WeakPolarHBondContact O-CG2 3.35Å; G5-V9 PolarHBondContact O-N 2.96Å; G5-V9 VanDerWaalsContact O-N 3.11Å; W6-V9 PolarHBondContact O-N 3.23Å; V9-C12 PolarHBondContact O-N 3.26Å; V9-Q13 PolarHBondContact O-N 2.98Å
10L83.5Confident70.4Confident106 Ų106120.2 Ų120.256%0.55561%0.611SS**Hα-helixtrans-66.4-39.2176.7-70.2172.4000111.8W6 Q13 W14W6-L10 WeakPolarHBondContact O-CG 2.88Å; W6-L10 PolarHBondContact O-N 2.89Å; L10-Q13 PolarHBondContact O-N 3.19Å; L10-W14 WeakPolarHBondContact O-CB 3.18Å; L10-W14 PolarHBondContact O-N 3.2Å
11L82.9Confident69.2Low107 Ų107117.2 Ų117.256%0.5661%0.61SS**Hα-helixtrans-63.9-42.8175.3-151.793.5000111.3T7 T8 W14 I15T7-L11 WeakPolarHBondContact O-CB 3.17Å; T7-L11 PolarHBondContact O-N 2.79Å; T8-L11 PolarHBondContact O-N 2.71Å; L11-W14 PolarHBondContact O-N 2.74Å; L11-I15 HydrophobicContact CD2-CD1 4.25Å; L11-I15 HydrophobicContact CG-CD1 4.42Å; L11-I15 VanDerWaalsContact O-CG1 3.29Å; L11-I15 WeakPolarHBondContact O-CG1 3.31Å; L11-I15 PolarHBondContact O-N 3.36Å
12C76.8Confident68.5Low66 Ų66113.9 Ų113.945%0.44660%0.596SS.*Hα-helixtrans-64.1-41.7176.8-75.30000112.5T8 V9 W14 I15 L16T8-C12 WeakPolarHBondContact O-CB 2.97Å; T8-C12 PolarHBondContact O-N 2.9Å; T8-C12 PolarHBondContact O-SG 3.19Å; T8-C12 VanDerWaalsContact O-SG 3.33Å; V9-C12 PolarHBondContact O-N 3.26Å; C12-W14 VanDerWaalsContact C-N 3.34Å; C12-W14 PolarHBondContact O-N 3.38Å; C12-I15 PolarHBondContact O-N 2.81Å; C12-L16 WeakPolarHBondContact O-CB 3.41Å; C12-L16 WeakPolarHBondContact O-CD1 3.46Å; C12-L16 WeakPolarHBondContact O-CG 3.39Å; C12-L16 PolarHBondContact O-N 3.3Å
13Q76.4Confident67.7Low120 Ų120113.9 Ų113.956%0.56160%0.596SS**Hα-helixtrans-63.8-38.7174.2-88.9-168.4-7.400112.5V9 L10 L16 Q17V9-Q13 PolarHBondContact O-N 2.98Å; L10-Q13 PolarHBondContact O-N 3.19Å; Q13-L16 PolarHBondContact O-N 3.22Å; Q13-Q17 PolarHBondContact O-N 3.04Å; Q13-Q17 VanDerWaalsContact O-N 3.08Å
14W80.3Confident66.6Low166 Ų166117.7 Ų117.763%0.62960%0.603SS**Hα-helixtrans-67.1-39.9178.5-167.670.1000112.4L10 L11 C12 Q17 K18L10-W14 WeakPolarHBondContact O-CB 3.18Å; L10-W14 PolarHBondContact O-N 3.2Å; L11-W14 PolarHBondContact O-N 2.74Å; C12-W14 VanDerWaalsContact C-N 3.34Å; C12-W14 PolarHBondContact O-N 3.38Å; W14-Q17 PolarHBondContact O-N 3.28Å; W14-K18 PolarHBondContact O-N 2.97Å; W14-K18 VanDerWaalsContact O-N 3.14Å
15I76.2Confident65.2Low88 Ų88119.9 Ų119.945%0.45161%0.61SS.*Hα-helixtrans-64.8-43.4174.6-66.2165.1000110.7L11 C12 Q17 K18 V19L11-I15 HydrophobicContact CD2-CD1 4.25Å; L11-I15 HydrophobicContact CG-CD1 4.42Å; L11-I15 VanDerWaalsContact O-CG1 3.29Å; L11-I15 WeakPolarHBondContact O-CG1 3.31Å; L11-I15 PolarHBondContact O-N 3.36Å; C12-I15 PolarHBondContact O-N 2.81Å; I15-Q17 PolarHBondContact O-N 3.06Å; I15-K18 PolarHBondContact O-N 2.81Å; I15-V19 HydrophobicContact CG2-CG2 4.4Å; I15-V19 WeakPolarHBondContact O-CG2 3.45Å; I15-V19 PolarHBondContact O-N 2.76Å
16L68.6Low63.5Low111 Ų111124 Ų12458%0.58163%0.627SS**Hα-helixtrans-62.3-39.3178.8-77.3161.5000112.5C12 Q13 V19 Q20C12-L16 WeakPolarHBondContact O-CB 3.41Å; C12-L16 WeakPolarHBondContact O-CD1 3.46Å; C12-L16 WeakPolarHBondContact O-CG 3.39Å; C12-L16 PolarHBondContact O-N 3.3Å; Q13-L16 PolarHBondContact O-N 3.22Å; L16-V19 PolarHBondContact O-N 2.91Å; L16-Q20 PolarHBondContact O-N 2.8Å; L16-Q20 VanDerWaalsContact O-N 3.13Å
17Q64.6Low61.3Low137 Ų137121.9 Ų121.964%0.6463%0.63SS**Hα-helixtrans-67-36.9174.2-79.4-177.7-10.300112.8Q13 W14 I15 Q20 G21Q13-Q17 PolarHBondContact O-N 3.04Å; Q13-Q17 VanDerWaalsContact O-N 3.08Å; W14-Q17 PolarHBondContact O-N 3.28Å; I15-Q17 PolarHBondContact O-N 3.06Å; Q17-Q20 PolarHBondContact O-N 3.32Å; Q17-G21 PolarHBondContact O-N 3.18Å
18K63.4Low59.1Low144 Ų144126.4 Ų126.463%0.62664%0.644SS**Hα-helixtrans-66.9-36.2175.8-96.9-77.3-176.2178.90112.8W14 I15 G21W14-K18 PolarHBondContact O-N 2.97Å; W14-K18 VanDerWaalsContact O-N 3.14Å; I15-K18 PolarHBondContact O-N 2.81Å; K18-G21 PolarHBondContact O-N 2.82Å
19V56Low57Low94 Ų94127.5 Ų127.557%0.5765%0.654SS**Hα-helixtrans-70.5-39.2177174.60000111.1I15 L16 G21 L22I15-V19 HydrophobicContact CG2-CG2 4.4Å; I15-V19 WeakPolarHBondContact O-CG2 3.45Å; I15-V19 PolarHBondContact O-N 2.76Å; L16-V19 PolarHBondContact O-N 2.91Å; V19-G21 VanDerWaalsContact C-N 3.35Å; V19-G21 PolarHBondContact O-N 3.37Å; V19-L22 PolarHBondContact O-N 3.17Å
20Q49.7Very low54.8Low143 Ų143131.6 Ų131.667%0.66867%0.667SS**Hα-helixtrans-72.3-25.4175.6-71.5-173-2100113.9L16 Q17 L22L16-Q20 PolarHBondContact O-N 2.8Å; L16-Q20 VanDerWaalsContact O-N 3.13Å; Q17-Q20 PolarHBondContact O-N 3.32Å; Q20-L22 VanDerWaalsContact C-N 3.34Å
21G45.7Very low52.5Low58 Ų58134.4 Ų134.460%0.59868%0.682SS**Hα-helixtrans-74.2-19.1176.300000114.6Q17 K18 V19Q17-G21 PolarHBondContact O-N 3.18Å; K18-G21 PolarHBondContact O-N 2.82Å; V19-G21 VanDerWaalsContact C-N 3.35Å; V19-G21 PolarHBondContact O-N 3.37Å
22L40.1Very low50Low153 Ų153132.4 Ų132.480%0.80169%0.688SS**Hα-helixtrans-89.3-16.7-179-149.780.4000113.2V19 Q20V19-L22 PolarHBondContact O-N 3.17Å; Q20-L22 VanDerWaalsContact C-N 3.34Å
23E40.2Very low48.1Very low170 Ų170135.9 Ų135.979%0.79471%0.709SS**THydrogen-bonded Turntrans-85.9-12.3-177.7-154.1178.8129.900113.2
24K41.5Very low45.9Very low196 Ų196134 Ų13485%0.85272%0.723SS**THydrogen-bonded Turntrans-94.29-175.7-85.5-171.3175.8179.80116.1
25Q37.6Very low43.5Very low177 Ų177129.5 Ų129.583%0.82773%0.728SS**  trans-123.466.5178.7-162.2-178.7-30.100112
26V35.6Very low41.5Very low124 Ų124131.1 Ų131.175%0.75275%0.746SS**  trans-135.274.5154.9-170.20000107.3F28V26-F28 PolarHBondContact O-N 3.04Å
27D29.3Very low39.7Very low151 Ų151131.8 Ų131.881%0.80776%0.755SS**  trans-71.4111.2163.8-100.8-37.4000108
28F33.3Very low38.3Very low176 Ų176133.5 Ų133.577%0.77277%0.765SS**  trans-103.772.1169.5-138.6-84.6000108.3V26V26-F28 PolarHBondContact O-N 3.04Å
29S34.9Very low36.7Very low102 Ų102135.9 Ų135.971%0.71378%0.775SS**  trans-118.172.3170.1-71.20000109.3
30E34.3Very low35.5Very low174 Ų174137.1 Ų137.181%0.81378%0.783SS**  trans-167.5102.6158.7-119.8-179.2164.200110.5
31L34.7Very low34.7Very low166 Ų166138.1 Ų138.187%0.86979%0.792SS**  trans-172.1101.7145.4-99.6142.6000107.9
32G31.7Very low34.3Very low65 Ų65141.2 Ų141.267%0.6780%0.802SS**  trans-66.7175.3175.300000113.9G34G32-G34 PolarHBondContact O-N 3.46Å
33P36.2Very low33.7Very low138 Ų138145.2 Ų145.290%0.89681%0.808SS**  trans-82112.5-160.831.2-32.5000112.4G35P33-G35 PolarHBondContact O-N 2.79Å
34G30.4Very low33.2Very low82 Ų82140.3 Ų140.385%0.84580%0.803SS**  trans-80.4110.4168.100000110.8G32G32-G34 PolarHBondContact O-N 3.46Å
35G29.3Very low32.7Very low71 Ų71140.4 Ų140.473%0.73281%0.809SS**  trans-62.2158.6-174.300000116.1P33P33-G35 PolarHBondContact O-N 2.79Å
36S33.8Very low32.3Very low121 Ų121135.7 Ų135.785%0.84681%0.808SS**  trans-55.7127171.149.10000112.4
37V31.4Very low32Very low125 Ų125133.8 Ų133.876%0.75881%0.813SS**  trans-129.4104.3155.7177.60000108.4
38M35.3Very low32Very low173 Ų173130.1 Ų130.185%0.85281%0.811SS**  trans-65.3122.9168-162.9161.6-177.500108.3
39K30.6Very low31.8Very low195 Ų195128.7 Ų128.785%0.84882%0.817SS**  trans-118.3102166.3-96.7-178.9177.3174.90110.1
40T29.6Very low31.6Very low120 Ų120128.7 Ų128.774%0.73682%0.823SS**PPolyproline II helixtrans-69126.6165.6-32.40000108.8
41L33.1Very low31.4Very low163 Ų163124.7 Ų124.785%0.85383%0.828SS**PPolyproline II helixtrans-82130168.1-12389.2000109
42P37.5Very low31.2Very low123 Ų123120.5 Ų120.580%0.79983%0.825SS**PPolyproline II helixtrans-91.1140.3172.833.1-28.4000112.3
43Y27.3Very low31.3Very low237 Ų237123.9 Ų123.993%0.92983%0.832SS**PPolyproline II helixtrans-73.4139.4166.1-115.5-105.4000110.9
44G29.6Very low31.3Very low67 Ų67124 Ų12469%0.69183%0.83SS**  trans73.9106.9133.300000121.3
45M32.3Very low31.5Very low199 Ų199128.9 Ų128.998%0.9883%0.828SS**  trans-172.3135.6143.4-136.579.1170.400104.9
46G28.9Very low31.9Very low78 Ų78130.9 Ų130.980%0.80483%0.829SS**  cis127.8117.421.800000108.2
47G29.6Very low32.5Very low83 Ų83131.3 Ų131.386%0.85683%0.828SS**  trans111.2105.8172.500000113.4
48G28.4Very low32.6Very low74 Ų74135.6 Ų135.676%0.76383%0.832SS**  93.1119.276.600000107.4
49T28.7Very low32.7Very low146 Ų146136.6 Ų136.690%0.89684%0.835SS**  cis-176.3161.649.432.40000109.3
50A31.7Very low32.7Very low103 Ų103133.2 Ų133.285%0.85183%0.831SS**  trans119.5102.9150.800000116.8
51G29.7Very low32.8Very low89 Ų89136.9 Ų136.992%0.91883%0.831SS**  84106.912600000118.2
52G30.4Very low32.7Very low78 Ų78136.2 Ų136.280%0.80483%0.827SS**  trans164.367.8164.400000114.8
53V32.7Very low32.3Very low136 Ų136138.6 Ų138.682%0.82482%0.821SS**  trans-74.6115.9172170.90000109.7
54V36.1Very low32.7Very low140 Ų140132.4 Ų132.485%0.84881%0.812SS**  trans-144.3117.2152.1-1760000108.7
55K36.4Very low32.7Very low186 Ų186134.8 Ų134.881%0.80981%0.814SS**PPolyproline II helixtrans-74.8150.3175.1-74.7174.2172.7172.30111.2
56P37.4Very low32.6Very low113 Ų113129.6 Ų129.673%0.73480%0.797SS**PPolyproline II helixtrans-87.4151.716534.7-30.5000111.3
57P45.2Very low33Very low129 Ų129132.7 Ų132.784%0.83879%0.794SS**PPolyproline II helixtrans-88.5143.2172.734-29.6000111.9
58Y34.4Very low33.1Very low215 Ų215134.4 Ų134.484%0.84378%0.783SS**PPolyproline II helixtrans-62.7142.2168.3-80.9-102.5000112.1
59Q36.3Very low33.4Very low194 Ų194137.6 Ų137.691%0.90778%0.778SS**  trans-139125133.5-83.7-158.9-10.100111.2
60T31.4Very low33.6Very low125 Ų125136.6 Ų136.677%0.76777%0.772SS**  trans-68.1146.8165.931.20000111.3
61R31Very low34.4Very low197 Ų197136.7 Ų136.774%0.74376%0.764SS**  178.8107.7125.7-172170-82.5-133.30.5111Y63R61-Y63 HydrophobicContact CG-CD2 3.97Å; R61-Y63 HydrophobicContact CG-CE2 3.91Å; R61-Y63 VanDerWaalsContact NH1-CE2 3.33Å; R61-Y63 PolarHBondContact NH1-OH 2.83Å
62I32Very low34.5Very low148 Ų148140.1 Ų140.176%0.75976%0.761SS**  trans-81.4138.6156.3-68.9173.5000107.1
63Y29.7Very low34.6Very low173 Ų173145.5 Ų145.568%0.67876%0.762SS**  trans-126.4106.7144.9-80.2-64.7000108.7R61R61-Y63 HydrophobicContact CG-CD2 3.97Å; R61-Y63 HydrophobicContact CG-CE2 3.91Å; R61-Y63 VanDerWaalsContact NH1-CE2 3.33Å; R61-Y63 PolarHBondContact NH1-OH 2.83Å
64S35.1Very low34.4Very low107 Ų107143.7 Ų143.775%0.74876%0.755SS**  trans-109.9126.6144.1-65.60000106.3
65T30.3Very low34.4Very low118 Ų118146.9 Ų146.972%0.72476%0.757SS**  trans-157.8135159.445.50000104.3
66S30Very low34.6Very low90 Ų90143.4 Ų143.463%0.62975%0.754SS**  cis170.8151.610.845.20000108.1
67I37.2Very low35.1Very low143 Ų143143.3 Ų143.373%0.73375%0.753SS**  trans74.3109.6133-73.3169.3000114.6
68D31.9Very low34.5Very low118 Ų118143.7 Ų143.763%0.63175%0.754SS**  117.2156.963.3-96.3-23.3000105.2
69Q33.6Very low34.4Very low142 Ų142142.1 Ų142.166%0.66475%0.748SS**  cis-167.4126.311-114.9158.744.500103.4
70T33.5Very low34.1Very low124 Ų124138.2 Ų138.276%0.76174%0.737SS**  63.9172.3107.471.60000117.4
71P47.6Very low34.4Very low105 Ų105139.2 Ų139.268%0.68273%0.731SS**  -137.2177.5-63.139.2-22.4000112.3
72L32.2Very low34.7Very low162 Ų162139.2 Ų139.285%0.84874%0.737SS**  trans-175105.3146.6-93.4142000107.9
73K32Very low35Very low191 Ų191138.8 Ų138.883%0.8374%0.736SS**  72.2130.193.7-153.4174.4-176.3-176.80111.9
74S30.1Very low35.8Very low97 Ų97135.1 Ų135.168%0.67873%0.733SS**  cis-171.2133.430.212.60000110.7
75K34.6Very low36.2Very low207 Ų207140.7 Ų140.790%0.974%0.74SS**  88.6152.8109.6-79.1-163177.5-176.60119.7
76P41.7Very low36.5Very low114 Ų114143 Ų14374%0.7475%0.748SS**  trans-127.5-141-145.540.4-18.6000113.1
77P48Very low37.1Very low110 Ų110144.1 Ų144.171%0.71476%0.755SS**  -119.6172.1-61.230.6-12.1000113.1
78T32.4Very low37.3Very low138 Ų138140.4 Ų140.485%0.84775%0.752SS**  trans-138.4122.6153.6-50.20000111.6
79Y31.9Very low37.5Very low182 Ų182145.6 Ų145.671%0.71476%0.763SS**  trans-102.9131.6175.7-169.2-96.9000107.6F81Y79-F81 HydrophobicContact CD1-CD2 4.11Å; Y79-F81 HydrophobicContact CE1-CB 4.31Å; Y79-F81 AromaticContact CE1-CD2 3.17Å; Y79-F81 HydrophobicContact CE1-CD2 3.17Å; Y79-F81 AromaticContact CE1-CE2 3.73Å; Y79-F81 HydrophobicContact CE1-CE2 3.73Å; Y79-F81 AromaticContact CE1-CG 4Å; Y79-F81 HydrophobicContact CE1-CG 4Å; Y79-F81 HydrophobicContact CE2-CD2 4.34Å; Y79-F81 HydrophobicContact CE2-CE2 4.32Å; Y79-F81 AromaticContact CZ-CD2 3.36Å; Y79-F81 AromaticContact CZ-CE2 3.39Å; Y79-F81 WeakPolarHBondContact OH-CD2 3.46Å; Y79-F81 WeakPolarHBondContact OH-CE2 3.36Å
80T30.9Very low37.5Very low112 Ų112145 Ų14569%0.68777%0.765SS**  trans-138.7103.9162.7-30.70000109.7F82T80-F82 HydrophobicContact CG2-CD2 4.15Å; T80-F82 HydrophobicContact CG2-CE2 4.21Å
81F37.1Very low37.6Very low145 Ų145148.4 Ų148.464%0.63677%0.772SS**  trans-67138.7159.4-109.1-121.7000109.2Y79Y79-F81 HydrophobicContact CD1-CD2 4.11Å; Y79-F81 HydrophobicContact CE1-CB 4.31Å; Y79-F81 AromaticContact CE1-CD2 3.17Å; Y79-F81 HydrophobicContact CE1-CD2 3.17Å; Y79-F81 AromaticContact CE1-CE2 3.73Å; Y79-F81 HydrophobicContact CE1-CE2 3.73Å; Y79-F81 AromaticContact CE1-CG 4Å; Y79-F81 HydrophobicContact CE1-CG 4Å; Y79-F81 HydrophobicContact CE2-CD2 4.34Å; Y79-F81 HydrophobicContact CE2-CE2 4.32Å; Y79-F81 AromaticContact CZ-CD2 3.36Å; Y79-F81 AromaticContact CZ-CE2 3.39Å; Y79-F81 WeakPolarHBondContact OH-CD2 3.46Å; Y79-F81 WeakPolarHBondContact OH-CE2 3.36Å
82F36.6Very low36.9Very low198 Ų198148.3 Ų148.387%0.86877%0.774SS**  trans-131120.1154.4-105.2-85.5000109.5T80T80-F82 HydrophobicContact CG2-CD2 4.15Å; T80-F82 HydrophobicContact CG2-CE2 4.21Å
83N39.2Very low37.2Very low139 Ų139149 Ų14974%0.74378%0.777SS**  trans-78153.1-179.9-138.38.1000109.9
84P46.9Very low37.1Very low95 Ų95148.2 Ų148.262%0.61778%0.781SS**SBendtrans-82.7149.5176.832.1-23.7000110.3
85Y43.1Very low37.4Very low225 Ų225150.6 Ų150.688%0.88279%0.785SS**  trans86.786.4-171.5-59.3-79.3000115.4
86D35.9Very low37.1Very low167 Ų167146.4 Ų146.489%0.89377%0.773SS**  -158.1160.2128.6-138.4-28.3000112.2
87S43.3Very low36.8Very low112 Ų112147.9 Ų147.978%0.78377%0.77SS**  trans92.575.6170-141.30000117.5
88G41.2Very low36Very low66 Ų66149 Ų14968%0.6878%0.775SS**  trans-85.6159.614700000112.6
89R35.5Very low36.2Very low227 Ų227145.7 Ų145.786%0.85777%0.769SS**  trans79.6136.1159.8-68.9-170.2170.2176.9-1.8116.7
90N33.3Very low36.2Very low130 Ų130148.1 Ų148.170%0.69578%0.778SS**  cis-163.3146.87.2-87.2-33.8000108.3
91Q35.7Very low36.4Very low194 Ų194154.8 Ų154.891%0.90779%0.791SS**  trans-163.7101.2141.6-107.9168.351.900111.8
92S33.3Very low36.5Very low104 Ų104153 Ų15373%0.72780%0.796SS**  trans21.1119.7144.746.10000123.9
93L38.6Very low36.8Very low176 Ų176152.7 Ų152.792%0.92179%0.794SS**  34.3117.2126.9-65.8168.7000121.1
94L30.7Very low37.3Very low174 Ų174157.5 Ų157.591%0.91180%0.802SS**  trans-155.1149.5131.6-138.3163.7000111.2
95L34.7Very low37.6Very low147 Ų147162.2 Ų162.277%0.7781%0.813SS**  trans-83.2149.5-159.9-153.681.6000114.3
96D29.9Very low37.5Very low120 Ų120157.2 Ų157.264%0.64281%0.808SS**  trans87.7134.8138.4-129.4-3000124
97Q34.6Very low37.9Very low145 Ų145154 Ų15468%0.67880%0.798SS**  trans65.4106.1137.8-111.9168.878.100122.3
98T30.9Very low38.3Very low133 Ų133156.6 Ų156.682%0.81680%0.802SS**  157.2137.5104.844.60000110.5
99G36.8Very low38.2Very low69 Ų69162.3 Ų162.371%0.71181%0.809SS**  trans-71.9150.7-171.200000114.5
100Y32.6Very low38.6Very low232 Ų232157 Ų15791%0.9180%0.801SS**  trans-170105.5135.8-118.5-87.2000107.7S102Y100-S102 VanDerWaalsContact C-N 3.3Å; Y100-S102 PolarHBondContact O-N 2.85Å
101R35.2Very low38.9Very low253 Ų253156.2 Ų156.296%0.95580%0.797SS**  trans-72.886.3175.8-157.5-171.6-135.2-152.16.5108.1K103R101-K103 PolarHBondContact O-N 2.86Å
102S39Very low39.4Very low106 Ų106155.2 Ų155.274%0.74180%0.795SS**  trans-64.9108172.6-171.50000108.8Y100 R104Y100-S102 VanDerWaalsContact C-N 3.3Å; Y100-S102 PolarHBondContact O-N 2.85Å; S102-R104 PolarHBondContact O-N 2.88Å
103K42.6Very low40Very low193 Ų193158 Ų15884%0.83979%0.794SS**  trans-53.4101.7170.2-79.5-121.1-174-178.80108.5R101 K105R101-K103 PolarHBondContact O-N 2.86Å; K103-K105 PolarHBondContact O-N 2.84Å
104R48.9Very low40.5Very low240 Ų240155.9 Ų155.991%0.90679%0.788SS**  trans-60.2107.5163.3-75.1-175.7-170.2161.63.5107.4S102S102-R104 PolarHBondContact O-N 2.88Å
105K54.3Low41.5Very low193 Ų193156.6 Ų156.684%0.83978%0.784SS**  trans-51.3133.1160.1-67174.2179.8176.80106.9K103 S107K103-K105 PolarHBondContact O-N 2.84Å; K105-S107 PolarHBondContact O-N 2.87Å
106P40.5Very low42.3Very low121 Ų121156.7 Ų156.779%0.78678%0.778SS**  trans-59.3120.6172.1-13.225.8000106.8L108P106-L108 PolarHBondContact O-N 2.84Å
107S43.8Very low43.7Very low99 Ų99153.8 Ų153.869%0.69277%0.765SS**  trans-55.3109.1165.454.60000106.3K105 K109K105-S107 PolarHBondContact O-N 2.87Å; S107-K109 PolarHBondContact O-N 2.88Å
108L52.8Low45.1Very low166 Ų166147.5 Ų147.587%0.86974%0.735SS**  trans-55.287.7158-88.8149.1000105.3P106 T110P106-L108 PolarHBondContact O-N 2.84Å; L108-T110 PolarHBondContact O-N 2.95Å
109K39.3Very low46.6Very low186 Ų186143 Ų14381%0.80972%0.715SS**  trans-60.491.3160.7-94.4-177.6172.5179.80103.8S107 N111S107-K109 PolarHBondContact O-N 2.88Å; K109-N111 PolarHBondContact O-N 2.76Å
110T42.7Very low48.1Very low115 Ų115141 Ų14171%0.70669%0.686SS**  trans-49.9102.5162.5-64.90000105.1L108 M112L108-T110 PolarHBondContact O-N 2.95Å; T110-M112 HydrophobicContact CG2-CG 3.76Å; T110-M112 PolarHBondContact O-N 3.37Å
111N40.9Very low50Low114 Ų114131.6 Ų131.661%0.6166%0.66SS**  trans-67.283.8172.9-174.8-6000105.8K109 K113K109-N111 PolarHBondContact O-N 2.76Å; N111-K113 PolarHBondContact O-N 2.87Å; N111-K113 WeakPolarHBondContact OD1-CB 3.27Å; N111-K113 WeakPolarHBondContact OD1-CD 3.47Å; N111-K113 WeakPolarHBondContact OD1-CG 3.44Å; N111-K113 PolarHBondContact OD1-N 2.03Å
112M45.8Very low52.4Low173 Ų173126 Ų12685%0.85265%0.649SS**  trans-70.535.1172-67.1-17280.600111.2T110 T114T110-M112 HydrophobicContact CG2-CG 3.76Å; T110-M112 PolarHBondContact O-N 3.37Å; M112-T114 VanDerWaalsContact C-N 3.32Å; M112-T114 PolarHBondContact O-N 2.82Å
113K46.4Very low54.8Low164 Ų164122 Ų12271%0.71362%0.618SS**SBendtrans-68.697.7163.9-81.6176.7-169.4-1710106.9N111 K115N111-K113 PolarHBondContact O-N 2.87Å; N111-K113 WeakPolarHBondContact OD1-CB 3.27Å; N111-K113 WeakPolarHBondContact OD1-CD 3.47Å; N111-K113 WeakPolarHBondContact OD1-CG 3.44Å; N111-K113 PolarHBondContact OD1-N 2.03Å; K113-K115 PolarHBondContact O-N 3.06Å
114T48.9Very low57.1Low130 Ų130119.7 Ų119.780%0.79861%0.605SS**  trans29.783.6152.344.80000113M112 K116M112-T114 VanDerWaalsContact C-N 3.32Å; M112-T114 PolarHBondContact O-N 2.82Å; T114-K116 PolarHBondContact O-N 2.89Å
115K50.7Low59.2Low190 Ų190109.8 Ų109.883%0.82657%0.569SS**  trans-59.786.7175.7-171.6-175.8-176.5-1780108.7K113 T117K113-K115 PolarHBondContact O-N 3.06Å; K115-T117 PolarHBondContact O-N 2.78Å
116K52Low61Low148 Ų148103.9 Ų103.964%0.64355%0.545SS*.  trans-60103.9168.2-169.4-167.5179.1-169.50105.7T114 F118 G119T114-K116 PolarHBondContact O-N 2.89Å; K116-F118 VanDerWaalsContact CE-O 3.31Å; K116-F118 WeakPolarHBondContact CE-O 3.39Å; K116-F118 WeakPolarHBondContact CG-O 3.39Å; K116-F118 PolarHBondContact O-N 2.81Å; K116-G119 PolarHBondContact NZ-O 2.91Å
117T60.2Low63.4Low59 Ų5999.8 Ų99.836%0.36252%0.518SS..SBendtrans-69.6-12.7-166.7360000113.5K115 D142K115-T117 PolarHBondContact O-N 2.78Å; T117-D142 PolarHBondContact OG1-OD2 3.05Å
118F63.3Low65.6Low14 Ų14102.4 Ų102.46%0.06152%0.517CS..  trans-142.5134.7172.4-71.7-81000110.6K116 W120 I140 F148K116-F118 VanDerWaalsContact CE-O 3.31Å; K116-F118 WeakPolarHBondContact CE-O 3.39Å; K116-F118 WeakPolarHBondContact CG-O 3.39Å; K116-F118 PolarHBondContact O-N 2.81Å; F118-W120 VanDerWaalsContact C-N 3.27Å; F118-W120 AromaticContact CD1-NE1 3.87Å; F118-W120 PolarHBondContact O-N 2.87Å; F118-I140 HydrophobicContact CB-CD1 3.96Å; F118-I140 HydrophobicContact CD1-CD1 4.19Å; F118-I140 HydrophobicContact CD2-CD1 3.54Å; F118-I140 HydrophobicContact CE2-CD1 4.1Å; F118-I140 HydrophobicContact CG-CD1 3.6Å; F118-F148 HydrophobicContact CE1-CE1 4.45Å; F118-F148 HydrophobicContact CE1-CZ 4.28Å; F118-F148 AromaticContact CE2-CD1 3.69Å; F118-F148 HydrophobicContact CE2-CD1 3.69Å; F118-F148 HydrophobicContact CE2-CD2 4.46Å; F118-F148 AromaticContact CE2-CE1 3.8Å; F118-F148 HydrophobicContact CE2-CE1 3.8Å; F118-F148 HydrophobicContact CE2-CG 4.03Å; F118-F148 HydrophobicContact CE2-CZ 4.21Å; F118-F148 AromaticContact CZ-CD1 3.85Å; F118-F148 HydrophobicContact CZ-CD1 3.85Å; F118-F148 AromaticContact CZ-CE1 3.43Å; F118-F148 HydrophobicContact CZ-CE1 3.43Å; F118-F148 VanDerWaalsContact CZ-CE1 3.43Å; F118-F148 HydrophobicContact CZ-CE2 4.27Å; F118-F148 HydrophobicContact CZ-CG 4.42Å; F118-F148 AromaticContact CZ-CZ 3.64Å; F118-F148 HydrophobicContact CZ-CZ 3.64Å
119G62Low67.1Low37 Ų3796.9 Ų96.938%0.38149%0.49SS..SBendtrans-68.7-26.5-174.400000113.5K116 D275K116-G119 PolarHBondContact NZ-O 2.91Å; G119-D275 WeakPolarHBondContact CA-OD1 3.04Å; G119-D275 PolarHBondContact N-OD1 2.84Å
120W68.1Low69.2Low27 Ų2794.7 Ų94.710%0.10249%0.492CS..  trans-106.6129.2-17252-65.4000110.6F118 F123 I140 I255 I257 P274 D275F118-W120 VanDerWaalsContact C-N 3.27Å; F118-W120 AromaticContact CD1-NE1 3.87Å; F118-W120 PolarHBondContact O-N 2.87Å; W120-F123 HydrophobicContact CE3-CB 4.41Å; W120-F123 HydrophobicContact CZ3-CB 4.41Å; W120-I140 WeakPolarHBondContact O-CG2 3.07Å; W120-I255 HydrophobicContact CH2-CD1 3.89Å; W120-I255 HydrophobicContact CH2-CG1 4.18Å; W120-I255 HydrophobicContact CZ2-CD1 3.66Å; W120-I255 HydrophobicContact CZ2-CG1 3.61Å; W120-I257 HydrophobicContact CH2-CD1 4.05Å; W120-I257 HydrophobicContact CH2-CG1 4.19Å; W120-I257 HydrophobicContact CZ3-CD1 3.66Å; W120-I257 HydrophobicContact CZ3-CG1 4.31Å; W120-P274 HydrophobicContact CB-CB 3.82Å; W120-P274 HydrophobicContact CD2-CB 3.64Å; W120-P274 HydrophobicContact CD2-CG 3.61Å; W120-P274 HydrophobicContact CE3-CB 4.29Å; W120-P274 HydrophobicContact CE3-CG 3.82Å; W120-P274 HydrophobicContact CG-CB 3.4Å; W120-P274 VanDerWaalsContact CG-CB 3.4Å; W120-P274 HydrophobicContact CG-CG 3.96Å; W120-P274 HydrophobicContact CH2-CG 4.42Å; W120-P274 HydrophobicContact CZ2-CG 4.24Å; W120-P274 HydrophobicContact CZ3-CG 4.23Å; W120-D275 PolarHBondContact NE1-OD2 2.87Å
121G72.2Confident71Confident35 Ų3595.5 Ų95.536%0.36149%0.486SS..SBendtrans-98.5-56-177.700000112.7
122N85.1Confident73.1Confident137 Ų13790.2 Ų90.273%0.73346%0.458SS*.EExtended strand (participates in β ladder)trans-119.8130.9178.8-61.4-35.8000108.7G138N122-G138 WeakPolarHBondContact CA-O 3.41Å
123F90.3Very high75.2Confident22 Ų2283.5 Ų83.510%0.09643%0.427CS..EExtended strand (participates in β ladder)trans-100140.5173.4173.3-100.6000109.7W120 F125 V136 T137 G138 I257 I259 V272W120-F123 HydrophobicContact CE3-CB 4.41Å; W120-F123 HydrophobicContact CZ3-CB 4.41Å; F123-F125 HydrophobicContact CE1-CB 3.79Å; F123-F125 HydrophobicContact CZ-CB 3.63Å; F123-F125 HydrophobicContact CZ-CG 4.45Å; F123-V136 HydrophobicContact CD1-CG1 4.44Å; F123-V136 HydrophobicContact CE1-CB 4.37Å; F123-V136 HydrophobicContact CE1-CG1 3.98Å; F123-T137 CarbonylContact O-C 3.5Å; F123-T137 WeakPolarHBondContact O-CA 3.44Å; F123-G138 PolarHBondContact N-O 2.82Å; F123-G138 PolarHBondContact O-N 2.7Å; F123-I257 HydrophobicContact CB-CD1 4.07Å; F123-I257 HydrophobicContact CD1-CD1 3.79Å; F123-I257 HydrophobicContact CD2-CD1 3.42Å; F123-I257 VanDerWaalsContact CD2-CD1 3.42Å; F123-I257 HydrophobicContact CE1-CD1 4.03Å; F123-I257 HydrophobicContact CE1-CG2 4.3Å; F123-I257 HydrophobicContact CE2-CD1 3.69Å; F123-I257 HydrophobicContact CG-CD1 3.46Å; F123-I257 VanDerWaalsContact CG-CD1 3.46Å; F123-I257 HydrophobicContact CZ-CD1 3.98Å; F123-I257 HydrophobicContact CZ-CG2 4.4Å; F123-I259 HydrophobicContact CE1-CD1 3.93Å; F123-I259 HydrophobicContact CZ-CD1 3.77Å; F123-V272 HydrophobicContact CE2-CB 4.25Å; F123-V272 HydrophobicContact CE2-CG1 4.14Å; F123-V272 HydrophobicContact CE2-CG2 4.28Å; F123-V272 HydrophobicContact CZ-CG2 4.49Å
124Y91.8Very high77.4Confident143 Ų14375.7 Ų75.756%0.56139%0.394SS*.EExtended strand (participates in β ladder)trans-146.3128.5-178.6-169.3-100.7000110.2I126 L135 V136 T137Y124-I126 HydrophobicContact CD1-CG1 4.03Å; Y124-I126 HydrophobicContact CE1-CD1 3.33Å; Y124-I126 HydrophobicContact CE1-CG1 3.17Å; Y124-I126 VanDerWaalsContact CZ-CG1 3.46Å; Y124-I126 WeakPolarHBondContact OH-CD1 3.42Å; Y124-I126 WeakPolarHBondContact OH-CG1 3.37Å; Y124-L135 HydrophobicContact CD2-CD1 4.07Å; Y124-L135 HydrophobicContact CE1-CD1 4.42Å; Y124-L135 HydrophobicContact CE2-CD1 3.28Å; Y124-L135 VanDerWaalsContact CZ-CD1 3.46Å; Y124-L135 WeakPolarHBondContact OH-CD1 3.22Å; Y124-V136 WeakPolarHBondContact CA-O 3.22Å; Y124-T137 HydrophobicContact CD2-CG2 3.81Å; Y124-T137 HydrophobicContact CE2-CG2 4.02Å
125F92.6Very high79.6Confident32 Ų3272.2 Ų72.214%0.1437%0.37CS..EExtended strand (participates in β ladder)trans-140.8126179.3176.2-98.8000109.4F123 V127 L134 V136 I259 L268 Q270F123-F125 HydrophobicContact CE1-CB 3.79Å; F123-F125 HydrophobicContact CZ-CB 3.63Å; F123-F125 HydrophobicContact CZ-CG 4.45Å; F125-V127 HydrophobicContact CD1-CG2 4.48Å; F125-V127 HydrophobicContact CE1-CG2 3.55Å; F125-V127 HydrophobicContact CE2-CG2 4.13Å; F125-V127 HydrophobicContact CZ-CG2 3.35Å; F125-L134 HydrophobicContact CE1-CD2 4.16Å; F125-V136 HydrophobicContact CB-CB 4.2Å; F125-V136 HydrophobicContact CD1-CB 4.4Å; F125-V136 HydrophobicContact CD1-CG2 4.11Å; F125-V136 PolarHBondContact N-O 3.11Å; F125-V136 PolarHBondContact O-N 3.03Å; F125-I259 HydrophobicContact CB-CD1 4.05Å; F125-I259 HydrophobicContact CD1-CD1 3.63Å; F125-I259 HydrophobicContact CD1-CG2 4.41Å; F125-I259 HydrophobicContact CD2-CD1 4.3Å; F125-I259 HydrophobicContact CE1-CD1 4.07Å; F125-I259 HydrophobicContact CE1-CG2 4.05Å; F125-I259 HydrophobicContact CG-CD1 3.74Å; F125-L268 HydrophobicContact CE1-CD2 3.98Å; F125-L268 HydrophobicContact CZ-CD2 3.9Å; F125-Q270 HydrophobicContact CE2-CB 4.47Å; F125-Q270 HydrophobicContact CE2-CG 4.16Å; F125-Q270 HydrophobicContact CZ-CB 4.39Å
126I92.2Very high81.7Confident69 Ų6963.2 Ų63.235%0.35433%0.331SS..EExtended strand (participates in β ladder)trans-123.1135.3174.4-48.6-177.7000108.8Y124 K128 L134 L135Y124-I126 HydrophobicContact CD1-CG1 4.03Å; Y124-I126 HydrophobicContact CE1-CD1 3.33Å; Y124-I126 HydrophobicContact CE1-CG1 3.17Å; Y124-I126 VanDerWaalsContact CZ-CG1 3.46Å; Y124-I126 WeakPolarHBondContact OH-CD1 3.42Å; Y124-I126 WeakPolarHBondContact OH-CG1 3.37Å; I126-K128 HydrophobicContact CG2-CD 4.16Å; I126-K128 HydrophobicContact CG2-CG 3.83Å; I126-L134 CarbonylContact C-O 3.51Å; I126-L134 WeakPolarHBondContact CA-O 3.36Å; I126-L135 HydrophobicContact CG1-CD1 4.02Å
127V90.5Very high83.7Confident35 Ų3558.2 Ų58.221%0.21231%0.313CS..EExtended strand (participates in β ladder)trans-127.4132.8159.6175.80000108.6F125 T129 F132 S133 L134 L268F125-V127 HydrophobicContact CD1-CG2 4.48Å; F125-V127 HydrophobicContact CE1-CG2 3.55Å; F125-V127 HydrophobicContact CE2-CG2 4.13Å; F125-V127 HydrophobicContact CZ-CG2 3.35Å; V127-T129 HydrophobicContact CG1-CG2 4.4Å; V127-F132 HydrophobicContact CB-CE1 4.09Å; V127-F132 HydrophobicContact CG1-CD1 4.1Å; V127-F132 HydrophobicContact CG1-CE1 3.73Å; V127-S133 CarbonylContact O-C 3.57Å; V127-S133 WeakPolarHBondContact O-CA 3.45Å; V127-L134 PolarHBondContact N-O 2.81Å; V127-L134 PolarHBondContact O-N 2.93Å; V127-L268 HydrophobicContact CB-CD2 4.38Å; V127-L268 HydrophobicContact CG2-CD2 3.85Å
128K89.5Confident85.3Confident154 Ų15455.7 Ų55.767%0.6730%0.298SS*.EExtended strand (participates in β ladder)trans-133.7127.9176.2-71.3179.4-178.6-179.20109.5I126 F132I126-K128 HydrophobicContact CG2-CD 4.16Å; I126-K128 HydrophobicContact CG2-CG 3.83Å; K128-F132 CarbonylContact C-O 3.58Å; K128-F132 WeakPolarHBondContact CA-O 3.5Å
129T85.6Confident86.7Confident50 Ų5060.8 Ų60.831%0.30732%0.321SS..  trans-127.9-178.117280.20000108.6V127 K131 F132 Y266V127-T129 HydrophobicContact CG1-CG2 4.4Å; T129-K131 VanDerWaalsContact C-N 3.26Å; T129-K131 PolarHBondContact O-N 2.04Å; T129-K131 PolarHBondContact OG1-N 2.9Å; T129-F132 HydrophobicContact CG2-CD1 4.21Å; T129-F132 PolarHBondContact N-O 2.83Å; T129-F132 WeakPolarHBondContact OG1-CB 3.26Å; T129-F132 PolarHBondContact OG1-N 2.85Å; T129-F132 VanDerWaalsContact OG1-N 3.1Å; T129-F132 PolarHBondContact OG1-O 2.86Å; T129-Y266 HydrophobicContact CG2-CD1 4.19Å; T129-Y266 HydrophobicContact CG2-CE1 3.97Å; T129-Y266 VanDerWaalsContact OG1-CE2 3.32Å; T129-Y266 WeakPolarHBondContact OG1-CE2 3.35Å
130V82.5Confident88.1Confident140 Ų14060.4 Ų60.485%0.84831%0.31SS*.SBendtrans-60.6-35.8-179.2-178.30000112.3
131K80.1Confident89.1Confident132 Ų13261.5 Ų61.557%0.57432%0.319SS*.SBendtrans-116.7-8.6-175.1-61.1-178.8-174.9177.60114.1T129 S158 D265 Y266T129-K131 VanDerWaalsContact C-N 3.26Å; T129-K131 PolarHBondContact O-N 2.04Å; T129-K131 PolarHBondContact OG1-N 2.9Å; K131-S158 WeakPolarHBondContact O-CB 3.23Å; K131-D265 WeakPolarHBondContact CD-OD2 3.48Å; K131-D265 IonicContact NZ-OD2 3.71Å; K131-D265 PolarHBondContact NZ-OD2 2.91Å; K131-Y266 HydrophobicContact CB-CE2 4.36Å
132F85.4Confident89.9Confident4 Ų462.3 Ų62.32%0.01832%0.315CS..  trans-131130.9-175163.4-118.9000111.4V127 K128 T129 L134 S158 F261 Y266V127-F132 HydrophobicContact CB-CE1 4.09Å; V127-F132 HydrophobicContact CG1-CD1 4.1Å; V127-F132 HydrophobicContact CG1-CE1 3.73Å; K128-F132 CarbonylContact C-O 3.58Å; K128-F132 WeakPolarHBondContact CA-O 3.5Å; T129-F132 HydrophobicContact CG2-CD1 4.21Å; T129-F132 PolarHBondContact N-O 2.83Å; T129-F132 WeakPolarHBondContact OG1-CB 3.26Å; T129-F132 PolarHBondContact OG1-N 2.85Å; T129-F132 VanDerWaalsContact OG1-N 3.1Å; T129-F132 PolarHBondContact OG1-O 2.86Å; F132-L134 HydrophobicContact CD2-CB 4.47Å; F132-L134 HydrophobicContact CE1-CB 4.01Å; F132-L134 HydrophobicContact CE2-CB 3.47Å; F132-L134 VanDerWaalsContact CE2-CB 3.47Å; F132-L134 HydrophobicContact CZ-CB 3.19Å; F132-L134 HydrophobicContact CZ-CD2 3.85Å; F132-L134 HydrophobicContact CZ-CG 4.12Å; F132-S158 WeakPolarHBondContact CD2-OG 3.48Å; F132-F261 HydrophobicContact CB-CE1 4.32Å; F132-F261 HydrophobicContact CB-CZ 4.31Å; F132-F261 HydrophobicContact CD1-CD1 4.08Å; F132-F261 AromaticContact CD1-CE1 3.67Å; F132-F261 HydrophobicContact CD1-CE1 3.67Å; F132-F261 HydrophobicContact CD1-CZ 4.21Å; F132-F261 HydrophobicContact CD2-CD1 4.24Å; F132-F261 HydrophobicContact CD2-CD2 4.37Å; F132-F261 AromaticContact CD2-CE1 3.53Å; F132-F261 HydrophobicContact CD2-CE1 3.53Å; F132-F261 AromaticContact CD2-CE2 3.68Å; F132-F261 HydrophobicContact CD2-CE2 3.68Å; F132-F261 AromaticContact CD2-CZ 3.17Å; F132-F261 HydrophobicContact CD2-CZ 3.17Å; F132-F261 AromaticContact CE1-CD1 3.56Å; F132-F261 HydrophobicContact CE1-CD1 3.56Å; F132-F261 AromaticContact CE1-CE1 3.63Å; F132-F261 HydrophobicContact CE1-CE1 3.63Å; F132-F261 HydrophobicContact CE1-CG 4.11Å; F132-F261 HydrophobicContact CE1-CZ 4.25Å; F132-F261 AromaticContact CE2-CD1 3.7Å; F132-F261 HydrophobicContact CE2-CD1 3.7Å; F132-F261 AromaticContact CE2-CD2 3.52Å; F132-F261 HydrophobicContact CE2-CD2 3.52Å; F132-F261 AromaticContact CE2-CE1 3.44Å; F132-F261 HydrophobicContact CE2-CE1 3.44Å; F132-F261 VanDerWaalsContact CE2-CE1 3.44Å; F132-F261 AromaticContact CE2-CE2 3.25Å; F132-F261 HydrophobicContact CE2-CE2 3.25Å; F132-F261 AromaticContact CE2-CG 3.69Å; F132-F261 HydrophobicContact CE2-CG 3.69Å; F132-F261 AromaticContact CE2-CZ 3.17Å; F132-F261 HydrophobicContact CE2-CZ 3.17Å; F132-F261 HydrophobicContact CG-CD1 4.36Å; F132-F261 AromaticContact CG-CE1 3.58Å; F132-F261 HydrophobicContact CG-CE1 3.58Å; F132-F261 AromaticContact CG-CZ 3.66Å; F132-F261 HydrophobicContact CG-CZ 3.66Å; F132-F261 HydrophobicContact CZ-CB 4.03Å; F132-F261 AromaticContact CZ-CD1 3.29Å; F132-F261 HydrophobicContact CZ-CD1 3.29Å; F132-F261 AromaticContact CZ-CD2 3.73Å; F132-F261 HydrophobicContact CZ-CD2 3.73Å; F132-F261 AromaticContact CZ-CE1 3.46Å; F132-F261 HydrophobicContact CZ-CE1 3.46Å; F132-F261 VanDerWaalsContact CZ-CE1 3.46Å; F132-F261 AromaticContact CZ-CE2 3.88Å; F132-F261 HydrophobicContact CZ-CE2 3.88Å; F132-F261 AromaticContact CZ-CG 3.38Å; F132-F261 HydrophobicContact CZ-CG 3.38Å; F132-F261 AromaticContact CZ-CZ 3.73Å; F132-F261 HydrophobicContact CZ-CZ 3.73Å; F132-Y266 HydrophobicContact CB-CD2 4.31Å
133S89.8Confident90Very high31 Ų3158.8 Ų58.822%0.21729%0.294CS..EExtended strand (participates in β ladder)trans-126.7132.2164.7177.40000107.4V127 S156 S157V127-S133 CarbonylContact O-C 3.57Å; V127-S133 WeakPolarHBondContact O-CA 3.45Å; S133-S156 WeakPolarHBondContact O-CA 3.34Å; S133-S157 WeakPolarHBondContact CB-OG 3.38Å; S133-S157 PolarHBondContact N-OG 2.83Å; S133-S157 PolarHBondContact O-N 3.29Å; S133-S157 VanDerWaalsContact O-N 3.08Å
134L92.4Very high89.7Confident0 Ų064 Ų640%033%0.328CS..EExtended strand (participates in β ladder)trans-128.5128.6170.5171.963.6000108.9F125 I126 V127 F132 V136 H154 N155 V162 I259F125-L134 HydrophobicContact CE1-CD2 4.16Å; I126-L134 CarbonylContact C-O 3.51Å; I126-L134 WeakPolarHBondContact CA-O 3.36Å; V127-L134 PolarHBondContact N-O 2.81Å; V127-L134 PolarHBondContact O-N 2.93Å; F132-L134 HydrophobicContact CD2-CB 4.47Å; F132-L134 HydrophobicContact CE1-CB 4.01Å; F132-L134 HydrophobicContact CE2-CB 3.47Å; F132-L134 VanDerWaalsContact CE2-CB 3.47Å; F132-L134 HydrophobicContact CZ-CB 3.19Å; F132-L134 HydrophobicContact CZ-CD2 3.85Å; F132-L134 HydrophobicContact CZ-CG 4.12Å; L134-V136 HydrophobicContact CD1-CG2 3.77Å; L134-V136 HydrophobicContact CD2-CG2 4.06Å; L134-V136 HydrophobicContact CG-CG2 3.85Å; L134-H154 HydrophobicContact CD1-CB 4.26Å; L134-N155 WeakPolarHBondContact CA-O 3.22Å; L134-V162 HydrophobicContact CD1-CG1 3.75Å; L134-V162 HydrophobicContact CD1-CG2 4.05Å; L134-V162 HydrophobicContact CD2-CG1 4.2Å; L134-I259 HydrophobicContact CD2-CG2 4.1Å
135L94.5Very high89.4Confident58 Ų5863.3 Ų63.330%0.30433%0.334SS..EExtended strand (participates in β ladder)trans-120.4117.7170168.860.7000107.9Y124 I126 T137 H154 N155Y124-L135 HydrophobicContact CD2-CD1 4.07Å; Y124-L135 HydrophobicContact CE1-CD1 4.42Å; Y124-L135 HydrophobicContact CE2-CD1 3.28Å; Y124-L135 VanDerWaalsContact CZ-CD1 3.46Å; Y124-L135 WeakPolarHBondContact OH-CD1 3.22Å; I126-L135 HydrophobicContact CG1-CD1 4.02Å; L135-T137 HydrophobicContact CD1-CG2 4Å; L135-T137 HydrophobicContact CG-CG2 4.25Å; L135-H154 CarbonylContact O-C 3.58Å; L135-H154 WeakPolarHBondContact O-CA 3.41Å; L135-N155 PolarHBondContact N-O 2.91Å; L135-N155 PolarHBondContact O-N 3Å
136V95.1Very high89.1Confident0 Ų063 Ų630%034%0.339CS..EExtended strand (participates in β ladder)trans-113.1130.6171.9-1740000108.8F123 Y124 F125 L134 H154 V164 I259F123-V136 HydrophobicContact CD1-CG1 4.44Å; F123-V136 HydrophobicContact CE1-CB 4.37Å; F123-V136 HydrophobicContact CE1-CG1 3.98Å; Y124-V136 WeakPolarHBondContact CA-O 3.22Å; F125-V136 HydrophobicContact CB-CB 4.2Å; F125-V136 HydrophobicContact CD1-CB 4.4Å; F125-V136 HydrophobicContact CD1-CG2 4.11Å; F125-V136 PolarHBondContact N-O 3.11Å; F125-V136 PolarHBondContact O-N 3.03Å; L134-V136 HydrophobicContact CD1-CG2 3.77Å; L134-V136 HydrophobicContact CD2-CG2 4.06Å; L134-V136 HydrophobicContact CG-CG2 3.85Å; V136-H154 HydrophobicContact CB-CB 4.42Å; V136-H154 HydrophobicContact CG1-CB 4.44Å; V136-H154 HydrophobicContact CG2-CB 3.91Å; V136-V164 HydrophobicContact CG1-CG1 4.11Å; V136-V164 HydrophobicContact CG1-CG2 3.94Å; V136-V164 HydrophobicContact CG2-CG2 4.05Å; V136-I259 HydrophobicContact CB-CD1 4.45Å; V136-I259 HydrophobicContact CG1-CD1 4.47Å; V136-I259 HydrophobicContact CG2-CD1 4.33Å; V136-I259 HydrophobicContact CG2-CG2 4.48Å
137T95.3Very high88.9Confident43 Ų4360.4 Ų60.426%0.26433%0.326SS..EExtended strand (participates in β ladder)trans-124.4142.3174.960.60000109F123 Y124 L135 F152 R153F123-T137 CarbonylContact O-C 3.5Å; F123-T137 WeakPolarHBondContact O-CA 3.44Å; Y124-T137 HydrophobicContact CD2-CG2 3.81Å; Y124-T137 HydrophobicContact CE2-CG2 4.02Å; L135-T137 HydrophobicContact CD1-CG2 4Å; L135-T137 HydrophobicContact CG-CG2 4.25Å; T137-F152 CarbonylContact O-C 3.56Å; T137-F152 VanDerWaalsContact O-CA 3.3Å; T137-F152 WeakPolarHBondContact O-CA 3.46Å; T137-R153 PolarHBondContact N-O 3.32Å; T137-R153 PolarHBondContact O-N 2.72Å; T137-R153 WeakPolarHBondContact OG1-CB 3.03Å; T137-R153 PolarHBondContact OG1-O 2.81Å; T137-R153 VanDerWaalsContact OG1-O 3.06Å
138G94.1Very high88.9Confident6 Ų658.7 Ų58.76%0.06232%0.316CS..EExtended strand (participates in β ladder)trans-134.1140.4179.500000111.3N122 F123 Y151N122-G138 WeakPolarHBondContact CA-O 3.41Å; F123-G138 PolarHBondContact N-O 2.82Å; F123-G138 PolarHBondContact O-N 2.7Å; G138-Y151 CarbonylContact C-O 3.59Å; G138-Y151 VanDerWaalsContact CA-O 3.22Å; G138-Y151 WeakPolarHBondContact CA-O 3.19Å
139K92.3Very high89Confident122 Ų12251.4 Ų51.453%0.5328%0.284SS..EExtended strand (participates in β ladder)trans-133.4129173.9-177.9178.7178.7-179.10110.1V150 Y151K139-V150 WeakPolarHBondContact O-CA 3.45Å; K139-Y151 PolarHBondContact N-O 3.41Å; K139-Y151 PolarHBondContact O-N 2.89Å
140I90.1Very high89.4Confident29 Ų2949 Ų4915%0.14927%0.27CS..EExtended strand (participates in β ladder)trans-95.2139.1174.8-168.8164.2000111.2F118 W120 F148 V150F118-I140 HydrophobicContact CB-CD1 3.96Å; F118-I140 HydrophobicContact CD1-CD1 4.19Å; F118-I140 HydrophobicContact CD2-CD1 3.54Å; F118-I140 HydrophobicContact CE2-CD1 4.1Å; F118-I140 HydrophobicContact CG-CD1 3.6Å; W120-I140 WeakPolarHBondContact O-CG2 3.07Å; I140-F148 HydrophobicContact CD1-CD2 3.71Å; I140-F148 HydrophobicContact CD1-CE2 4.11Å; I140-F148 HydrophobicContact CD1-CG 4.32Å; I140-F148 HydrophobicContact CG1-CB 4.48Å; I140-F148 HydrophobicContact CG1-CD2 4.01Å; I140-V150 HydrophobicContact CD1-CG2 4.46Å; I140-V150 HydrophobicContact CG1-CG2 4.3Å
141V89.9Confident90Very high49 Ų4947.6 Ų47.630%0.29725%0.25SS..EExtended strand (participates in β ladder)trans-130.8117.6174.4-178.90000108.1F148 T149 Y151V141-F148 CarbonylContact O-C 3.57Å; V141-F148 VanDerWaalsContact O-CA 3.23Å; V141-F148 WeakPolarHBondContact O-CA 3.04Å; V141-F148 WeakPolarHBondContact O-CB 3.47Å; V141-T149 PolarHBondContact N-O 3.47Å; V141-T149 PolarHBondContact O-N 3.1Å; V141-Y151 HydrophobicContact CB-CE2 4.31Å; V141-Y151 HydrophobicContact CG2-CD2 4.13Å; V141-Y151 HydrophobicContact CG2-CE2 3.86Å
142D89Confident90.8Very high53 Ų5341.5 Ų41.528%0.28322%0.224SC..EExtended strand (participates in β ladder)trans-85.3125.4172.5-166.1-20.3000108.5T117 V144 K250T117-D142 PolarHBondContact OG1-OD2 3.05Å; D142-V144 VanDerWaalsContact C-N 3.3Å; D142-V144 PolarHBondContact OD1-N 2.87Å; D142-K250 IonicContact OD2-NZ 3.78Å
143H87.7Confident91.3Very high63 Ų6347.2 Ų47.229%0.29225%0.245SC..  trans-86.51.2-178.3-65.5-71.1000112.9N145 T147 T149H143-N145 PolarHBondContact O-N 2.83Å; H143-N145 PolarHBondContact O-OD1 3.44Å; H143-T147 WeakPolarHBondContact CB-O 3.46Å; H143-T147 PolarHBondContact N-O 2.84Å; H143-T149 WeakPolarHBondContact NE2-CB 2.82Å; H143-T149 PolarHBondContact NE2-OG1 2.91Å
144V83Confident91.5Very high132 Ų13246.1 Ų46.180%0.824%0.236SC*.SBendtrans67.3-25-175.6-1700000113.5D142 G146D142-V144 VanDerWaalsContact C-N 3.3Å; D142-V144 PolarHBondContact OD1-N 2.87Å; V144-G146 PolarHBondContact O-N 2.93Å
145N86.3Confident91.6Very high128 Ų12848 Ų4868%0.68425%0.247SC*.SBendtrans-70.514.3179.2-47.4-13.3000114H143 T147H143-N145 PolarHBondContact O-N 2.83Å; H143-N145 PolarHBondContact O-OD1 3.44Å; N145-T147 PolarHBondContact O-N 2.77Å
146G85.5Confident91.5Very high24 Ų2445.3 Ų45.325%0.24723%0.232CC..SBendtrans80.5-6.7-170.300000114.8V144 S249 K250V144-G146 PolarHBondContact O-N 2.93Å; G146-S249 CarbonylContact O-C 3.55Å; G146-K250 WeakPolarHBondContact O-CB 3.31Å; G146-K250 WeakPolarHBondContact O-CD 3.45Å; G146-K250 VanDerWaalsContact O-CG 3.27Å; G146-K250 WeakPolarHBondContact O-CG 3.4Å
147T89.2Confident91.1Very high15 Ų1547.8 Ų47.89%0.09225%0.249CC..  trans-110.3153.917767.20000111.7H143 N145 C248H143-T147 WeakPolarHBondContact CB-O 3.46Å; H143-T147 PolarHBondContact N-O 2.84Å; N145-T147 PolarHBondContact O-N 2.77Å; T147-C248 CarbonylContact C-O 3.59Å; T147-C248 VanDerWaalsContact CA-O 3.26Å; T147-C248 WeakPolarHBondContact CA-O 3.3Å; T147-C248 WeakPolarHBondContact CB-O 3.37Å
148F90Very high90.3Very high0 Ų046.1 Ų46.10%024%0.24CC..EExtended strand (participates in β ladder)trans-131.6152.2170.763.5-87.5000110.2F118 I140 V141 V150 C248 I255F118-F148 HydrophobicContact CE1-CE1 4.45Å; F118-F148 HydrophobicContact CE1-CZ 4.28Å; F118-F148 AromaticContact CE2-CD1 3.69Å; F118-F148 HydrophobicContact CE2-CD1 3.69Å; F118-F148 HydrophobicContact CE2-CD2 4.46Å; F118-F148 AromaticContact CE2-CE1 3.8Å; F118-F148 HydrophobicContact CE2-CE1 3.8Å; F118-F148 HydrophobicContact CE2-CG 4.03Å; F118-F148 HydrophobicContact CE2-CZ 4.21Å; F118-F148 AromaticContact CZ-CD1 3.85Å; F118-F148 HydrophobicContact CZ-CD1 3.85Å; F118-F148 AromaticContact CZ-CE1 3.43Å; F118-F148 HydrophobicContact CZ-CE1 3.43Å; F118-F148 VanDerWaalsContact CZ-CE1 3.43Å; F118-F148 HydrophobicContact CZ-CE2 4.27Å; F118-F148 HydrophobicContact CZ-CG 4.42Å; F118-F148 AromaticContact CZ-CZ 3.64Å; F118-F148 HydrophobicContact CZ-CZ 3.64Å; I140-F148 HydrophobicContact CD1-CD2 3.71Å; I140-F148 HydrophobicContact CD1-CE2 4.11Å; I140-F148 HydrophobicContact CD1-CG 4.32Å; I140-F148 HydrophobicContact CG1-CB 4.48Å; I140-F148 HydrophobicContact CG1-CD2 4.01Å; V141-F148 CarbonylContact O-C 3.57Å; V141-F148 VanDerWaalsContact O-CA 3.23Å; V141-F148 WeakPolarHBondContact O-CA 3.04Å; V141-F148 WeakPolarHBondContact O-CB 3.47Å; F148-V150 HydrophobicContact CD2-CG2 3.85Å; F148-V150 HydrophobicContact CE2-CG2 3.79Å; F148-C248 HydrophobicContact CD1-CB 4.03Å; F148-C248 HydrophobicContact CD2-CB 4.02Å; F148-C248 HydrophobicContact CE1-CB 3.47Å; F148-C248 VanDerWaalsContact CE1-CB 3.47Å; F148-C248 HydrophobicContact CE2-CB 3.46Å; F148-C248 VanDerWaalsContact CE2-CB 3.46Å; F148-C248 HydrophobicContact CG-CB 4.29Å; F148-C248 HydrophobicContact CZ-CB 3.17Å; F148-C248 PolarHBondContact N-O 2.89Å; F148-C248 PolarHBondContact O-N 2.86Å; F148-I255 HydrophobicContact CE2-CD1 3.77Å; F148-I255 HydrophobicContact CZ-CD1 4Å; F148-I255 HydrophobicContact CZ-CG2 4.48Å
149T92Very high89.5Confident1 Ų149 Ų491%0.00625%0.253CS..EExtended strand (participates in β ladder)trans-114.2135.5173.5-61.10000109.9V141 H143 Y151 A245 W246V141-T149 PolarHBondContact N-O 3.47Å; V141-T149 PolarHBondContact O-N 3.1Å; H143-T149 WeakPolarHBondContact NE2-CB 2.82Å; H143-T149 PolarHBondContact NE2-OG1 2.91Å; T149-Y151 HydrophobicContact CG2-CD1 4.36Å; T149-Y151 HydrophobicContact CG2-CD2 4.08Å; T149-Y151 HydrophobicContact CG2-CE1 3.91Å; T149-Y151 HydrophobicContact CG2-CE2 3.6Å; T149-Y151 HydrophobicContact CG2-CG 4.44Å; T149-A245 HydrophobicContact CG2-CB 4.04Å; T149-W246 CarbonylContact C-O 3.56Å; T149-W246 VanDerWaalsContact CA-O 3.22Å; T149-W246 WeakPolarHBondContact CA-O 3.36Å
150V93Very high89Confident0 Ų043.9 Ų43.90%024%0.236CC..EExtended strand (participates in β ladder)trans-109.5118.9171.4-170.30000108K139 I140 F148 F152 I166 A245 W246 I255K139-V150 WeakPolarHBondContact O-CA 3.45Å; I140-V150 HydrophobicContact CD1-CG2 4.46Å; I140-V150 HydrophobicContact CG1-CG2 4.3Å; F148-V150 HydrophobicContact CD2-CG2 3.85Å; F148-V150 HydrophobicContact CE2-CG2 3.79Å; V150-F152 HydrophobicContact CB-CE2 4.26Å; V150-F152 HydrophobicContact CB-CZ 4.37Å; V150-F152 HydrophobicContact CG1-CD1 4.46Å; V150-F152 HydrophobicContact CG1-CD2 4.38Å; V150-F152 HydrophobicContact CG1-CE1 3.85Å; V150-F152 HydrophobicContact CG1-CE2 3.75Å; V150-F152 HydrophobicContact CG1-CZ 3.46Å; V150-F152 VanDerWaalsContact CG1-CZ 3.46Å; V150-I166 HydrophobicContact CB-CD1 3.91Å; V150-I166 HydrophobicContact CG2-CD1 3.8Å; V150-A245 WeakPolarHBondContact O-CA 3.49Å; V150-W246 PolarHBondContact N-O 3.14Å; V150-W246 PolarHBondContact O-N 3.18Å; V150-I255 HydrophobicContact CG2-CD1 4.41Å
151Y95.1Very high88.7Confident110 Ų11047.3 Ų47.343%0.43125%0.254SS..EExtended strand (participates in β ladder)trans-95.1122.2175.1-63.1-84.5000108.9G138 K139 V141 T149 A244 A245G138-Y151 CarbonylContact C-O 3.59Å; G138-Y151 VanDerWaalsContact CA-O 3.22Å; G138-Y151 WeakPolarHBondContact CA-O 3.19Å; K139-Y151 PolarHBondContact N-O 3.41Å; K139-Y151 PolarHBondContact O-N 2.89Å; V141-Y151 HydrophobicContact CB-CE2 4.31Å; V141-Y151 HydrophobicContact CG2-CD2 4.13Å; V141-Y151 HydrophobicContact CG2-CE2 3.86Å; T149-Y151 HydrophobicContact CG2-CD1 4.36Å; T149-Y151 HydrophobicContact CG2-CD2 4.08Å; T149-Y151 HydrophobicContact CG2-CE1 3.91Å; T149-Y151 HydrophobicContact CG2-CE2 3.6Å; T149-Y151 HydrophobicContact CG2-CG 4.44Å; Y151-A244 CarbonylContact C-O 3.48Å; Y151-A244 WeakPolarHBondContact CA-O 3.33Å; Y151-A245 HydrophobicContact CD1-CB 3.77Å; Y151-A245 HydrophobicContact CE1-CB 3.73Å
152F96.4Very high88.7Confident4 Ų446.1 Ų46.12%0.01825%0.247CC..EExtended strand (participates in β ladder)trans-104.9138.2169.9-64.1-68000110.1T137 V150 V164 I166 H243 A244 W246 I257T137-F152 CarbonylContact O-C 3.56Å; T137-F152 VanDerWaalsContact O-CA 3.3Å; T137-F152 WeakPolarHBondContact O-CA 3.46Å; V150-F152 HydrophobicContact CB-CE2 4.26Å; V150-F152 HydrophobicContact CB-CZ 4.37Å; V150-F152 HydrophobicContact CG1-CD1 4.46Å; V150-F152 HydrophobicContact CG1-CD2 4.38Å; V150-F152 HydrophobicContact CG1-CE1 3.85Å; V150-F152 HydrophobicContact CG1-CE2 3.75Å; V150-F152 HydrophobicContact CG1-CZ 3.46Å; V150-F152 VanDerWaalsContact CG1-CZ 3.46Å; F152-V164 HydrophobicContact CB-CG1 4.36Å; F152-V164 HydrophobicContact CD1-CG1 3.84Å; F152-V164 HydrophobicContact CD2-CG1 4.11Å; F152-V164 HydrophobicContact CE1-CG1 4.1Å; F152-V164 HydrophobicContact CE2-CG1 4.36Å; F152-V164 HydrophobicContact CG-CG1 3.84Å; F152-V164 HydrophobicContact CZ-CG1 4.35Å; F152-I166 HydrophobicContact CE2-CD1 4.09Å; F152-I166 HydrophobicContact CE2-CG1 3.79Å; F152-I166 HydrophobicContact CZ-CD1 4.44Å; F152-I166 HydrophobicContact CZ-CG1 4.09Å; F152-H243 CarbonylContact O-C 3.56Å; F152-H243 VanDerWaalsContact O-CA 3.3Å; F152-H243 WeakPolarHBondContact O-CA 3.4Å; F152-A244 PolarHBondContact N-O 3.47Å; F152-A244 PolarHBondContact O-N 3.44Å; F152-W246 AromaticContact CD2-CD1 3.62Å; F152-W246 AromaticContact CE2-CD1 3.75Å; F152-W246 HydrophobicContact CE2-CG 4.3Å; F152-I257 HydrophobicContact CE1-CD1 4.17Å; F152-I257 HydrophobicContact CE1-CG1 4.32Å; F152-I257 HydrophobicContact CE1-CG2 3.98Å; F152-I257 HydrophobicContact CZ-CD1 4.5Å; F152-I257 HydrophobicContact CZ-CG1 4.19Å; F152-I257 HydrophobicContact CZ-CG2 4.09Å
153R95.9Very high88.8Confident124 Ų12445.8 Ų45.847%0.46825%0.249SC..EExtended strand (participates in β ladder)trans-126.2122.9164174.8-175.8-177.8-172.12.7107.9T137 Q241 T242T137-R153 PolarHBondContact N-O 3.32Å; T137-R153 PolarHBondContact O-N 2.72Å; T137-R153 WeakPolarHBondContact OG1-CB 3.03Å; T137-R153 PolarHBondContact OG1-O 2.81Å; T137-R153 VanDerWaalsContact OG1-O 3.06Å; R153-Q241 VanDerWaalsContact NE-NE2 3.16Å; R153-T242 CarbonylContact C-O 3.54Å; R153-T242 VanDerWaalsContact CA-O 3.31Å; R153-T242 WeakPolarHBondContact CA-O 3.34Å
154H94.8Very high89.1Confident7 Ų743.5 Ų43.53%0.03224%0.239CC..EExtended strand (participates in β ladder)trans-121.9145.4172.968.5-107.5000112.2L134 L135 V136 V164 Q241 T242L134-H154 HydrophobicContact CD1-CB 4.26Å; L135-H154 CarbonylContact O-C 3.58Å; L135-H154 WeakPolarHBondContact O-CA 3.41Å; V136-H154 HydrophobicContact CB-CB 4.42Å; V136-H154 HydrophobicContact CG1-CB 4.44Å; V136-H154 HydrophobicContact CG2-CB 3.91Å; H154-V164 HydrophobicContact CB-CG2 4.44Å; H154-Q241 WeakPolarHBondContact O-CA 3.4Å; H154-T242 WeakPolarHBondContact CE1-CB 3.15Å; H154-T242 VanDerWaalsContact CE1-CG2 3.4Å; H154-T242 WeakPolarHBondContact CE1-CG2 3.25Å; H154-T242 PolarHBondContact CE1-OG1 3.33Å; H154-T242 PolarHBondContact N-O 2.6Å; H154-T242 WeakPolarHBondContact NE2-CB 3.12Å; H154-T242 PolarHBondContact NE2-OG1 3.03Å; H154-T242 PolarHBondContact O-N 3.49Å
155N93.6Very high89.5Confident41 Ų4137.8 Ų37.822%0.21921%0.205CC..EExtended strand (participates in β ladder)trans-132.1125.9177.3179.6-44.7000108.5L134 L135 H239 T240L134-N155 WeakPolarHBondContact CA-O 3.22Å; L135-N155 PolarHBondContact N-O 2.91Å; L135-N155 PolarHBondContact O-N 3Å; N155-H239 PolarHBondContact ND2-CE1 2.82Å; N155-H239 PolarHBondContact ND2-NE2 2.81Å; N155-H239 PolarHBondContact OD1-NE2 2.92Å; N155-T240 CarbonylContact C-O 3.56Å; N155-T240 VanDerWaalsContact CA-O 3.32Å; N155-T240 WeakPolarHBondContact CA-O 3.03Å
156S92.3Very high89.8Confident0 Ų032 Ų320%017%0.174CC..EExtended strand (participates in β ladder)trans-125.3147.6174.263.80000112.8S133 H239 T240S133-S156 WeakPolarHBondContact O-CA 3.34Å; S156-H239 CarbonylContact O-C 3.56Å; S156-H239 VanDerWaalsContact O-CA 3.24Å; S156-H239 WeakPolarHBondContact O-CA 3.43Å; S156-T240 PolarHBondContact N-O 3.46Å; S156-T240 PolarHBondContact O-N 3.49Å
157S87.1Confident90Very high52 Ų5231.1 Ų31.136%0.36416%0.164SC..  trans-114.622.7-177.474.40000114.2S133 E238S133-S157 WeakPolarHBondContact CB-OG 3.38Å; S133-S157 PolarHBondContact N-OG 2.83Å; S133-S157 PolarHBondContact O-N 3.29Å; S133-S157 VanDerWaalsContact O-N 3.08Å; S157-E238 CarbonylContact C-O 3.47Å; S157-E238 WeakPolarHBondContact CA-O 3.37Å
158S79.2Confident90Very high8 Ų831.5 Ų31.56%0.05617%0.167CC..SBendtrans-136.1157.5-177.267.20000112.2K131 F132 G160 E238 F261K131-S158 WeakPolarHBondContact O-CB 3.23Å; F132-S158 WeakPolarHBondContact CD2-OG 3.48Å; S158-G160 PolarHBondContact O-N 3.14Å; S158-G160 VanDerWaalsContact O-N 3.1Å; S158-E238 PolarHBondContact N-O 3.24Å; S158-E238 VanDerWaalsContact N-O 3.15Å; S158-F261 VanDerWaalsContact OG-CZ 3.25Å; S158-F261 WeakPolarHBondContact OG-CZ 3.35Å
159L78.2Confident89.7Confident66 Ų6633.4 Ų33.435%0.34618%0.179SC..SBendtrans-62.7107.2165.3-71.1153.8000109.6F236 E238 S263L159-F236 HydrophobicContact CD1-CB 4.44Å; L159-E238 HydrophobicContact CD2-CB 4.08Å; L159-E238 HydrophobicContact CG-CB 4.25Å; L159-S263 VanDerWaalsContact O-CB 3.31Å; L159-S263 WeakPolarHBondContact O-CB 3.42Å; L159-S263 PolarHBondContact O-OG 3.4Å
160G79.9Confident89.2Confident16 Ų1637.7 Ų37.717%0.16521%0.209CC..EExtended strand (participates in β ladder)trans171.7158.7178.300000112.8S158 L262S158-G160 PolarHBondContact O-N 3.14Å; S158-G160 VanDerWaalsContact O-N 3.1Å; G160-L262 CarbonylContact C-O 3.52Å; G160-L262 WeakPolarHBondContact CA-O 3.38Å
161N85.8Confident88.7Confident101 Ų10139.1 Ų39.154%0.5422%0.215SC..EExtended strand (participates in β ladder)trans-91.4122.7177.8-65.9-32000109F261 L262N161-F261 WeakPolarHBondContact O-CA 3.33Å; N161-L262 PolarHBondContact N-O 3.22Å; N161-L262 PolarHBondContact O-N 3.04Å
162V89.4Confident87.9Confident23 Ų2338 Ų3814%0.13922%0.22CC..EExtended strand (participates in β ladder)trans-106.3132.3171.9179.80000107.5L134 V164 S260 F261L134-V162 HydrophobicContact CD1-CG1 3.75Å; L134-V162 HydrophobicContact CD1-CG2 4.05Å; L134-V162 HydrophobicContact CD2-CG1 4.2Å; V162-V164 HydrophobicContact CG1-CG2 4.37Å; V162-S260 WeakPolarHBondContact CA-O 3.44Å; V162-F261 HydrophobicContact CG2-CD2 3.53Å; V162-F261 HydrophobicContact CG2-CE2 4.1Å
163S90.9Very high87.2Confident46 Ų4641.2 Ų41.232%0.32224%0.239SC..EExtended strand (participates in β ladder)trans-127.6142168.386.30000110.6I259 S260S163-I259 WeakPolarHBondContact O-CA 3.14Å; S163-S260 PolarHBondContact N-O 2.82Å; S163-S260 PolarHBondContact O-N 2.94Å; S163-S260 PolarHBondContact OG-OG 3.5Å
164V93.5Very high86.4Confident15 Ų1540.6 Ų40.69%0.09124%0.242CC..EExtended strand (participates in β ladder)trans-133118.3175.8-176.40000107.7V136 F152 H154 V162 I257 F258 I259V136-V164 HydrophobicContact CG1-CG1 4.11Å; V136-V164 HydrophobicContact CG1-CG2 3.94Å; V136-V164 HydrophobicContact CG2-CG2 4.05Å; F152-V164 HydrophobicContact CB-CG1 4.36Å; F152-V164 HydrophobicContact CD1-CG1 3.84Å; F152-V164 HydrophobicContact CD2-CG1 4.11Å; F152-V164 HydrophobicContact CE1-CG1 4.1Å; F152-V164 HydrophobicContact CE2-CG1 4.36Å; F152-V164 HydrophobicContact CG-CG1 3.84Å; F152-V164 HydrophobicContact CZ-CG1 4.35Å; H154-V164 HydrophobicContact CB-CG2 4.44Å; V162-V164 HydrophobicContact CG1-CG2 4.37Å; V164-I257 HydrophobicContact CG1-CG2 3.99Å; V164-F258 WeakPolarHBondContact CA-O 3.11Å; V164-I259 HydrophobicContact CG1-CG1 4.38Å; V164-I259 HydrophobicContact CG2-CG1 4.45Å
165S92.4Very high85.2Confident13 Ų1346.2 Ų46.29%0.09127%0.267CS..EExtended strand (participates in β ladder)trans-135.7161.8-175.664.10000112.6I257 F258S165-I257 WeakPolarHBondContact O-CA 3.46Å; S165-F258 PolarHBondContact N-O 2.89Å; S165-F258 PolarHBondContact O-N 3.3Å
166I91.8Very high83.8Confident6 Ų648.8 Ų48.83%0.03128%0.277CS..EExtended strand (participates in β ladder)trans-98.5124.3171.5-58.2-175.8000108.2V150 F152 C211 W246 I255 C256V150-I166 HydrophobicContact CB-CD1 3.91Å; V150-I166 HydrophobicContact CG2-CD1 3.8Å; F152-I166 HydrophobicContact CE2-CD1 4.09Å; F152-I166 HydrophobicContact CE2-CG1 3.79Å; F152-I166 HydrophobicContact CZ-CD1 4.44Å; F152-I166 HydrophobicContact CZ-CG1 4.09Å; I166-C211 HydrophobicContact CG2-CB 4.38Å; I166-W246 HydrophobicContact CB-CD2 4.28Å; I166-W246 HydrophobicContact CB-CE3 3.99Å; I166-W246 HydrophobicContact CB-CZ3 4.38Å; I166-W246 HydrophobicContact CD1-CB 3.43Å; I166-W246 VanDerWaalsContact CD1-CB 3.43Å; I166-W246 HydrophobicContact CD1-CD2 4.19Å; I166-W246 HydrophobicContact CD1-CE3 4.4Å; I166-W246 HydrophobicContact CD1-CG 3.8Å; I166-W246 HydrophobicContact CG1-CB 4.17Å; I166-W246 HydrophobicContact CG1-CD2 3.96Å; I166-W246 HydrophobicContact CG1-CE3 4.17Å; I166-W246 HydrophobicContact CG1-CG 3.97Å; I166-I255 HydrophobicContact CD1-CD1 4.26Å; I166-I255 HydrophobicContact CG2-CB 3.82Å; I166-I255 HydrophobicContact CG2-CD1 3.99Å; I166-I255 HydrophobicContact CG2-CG1 4.42Å; I166-I255 HydrophobicContact CG2-CG2 4.15Å; I166-C256 WeakPolarHBondContact CA-O 3.43Å
167V89.8Confident81.8Confident6 Ų653.3 Ų53.34%0.03630%0.304CS..EExtended strand (participates in β ladder)trans-128.2160.3-176-560000110.8K171 C256 F258 K271V167-K171 HydrophobicContact CB-CB 3.92Å; V167-K171 HydrophobicContact CB-CG 4.11Å; V167-K171 HydrophobicContact CG1-CG 4.33Å; V167-K171 HydrophobicContact CG2-CB 3.95Å; V167-K171 HydrophobicContact CG2-CG 4.24Å; V167-C256 HydrophobicContact CG2-CB 3.89Å; V167-C256 PolarHBondContact N-O 3Å; V167-C256 PolarHBondContact O-N 3.4Å; V167-F258 HydrophobicContact CB-CB 4.34Å; V167-F258 HydrophobicContact CG1-CB 3.61Å; V167-F258 HydrophobicContact CG1-CG 4.27Å; V167-F258 HydrophobicContact CG2-CB 3.77Å; V167-K271 HydrophobicContact CG2-CD 4.33Å; V167-K271 HydrophobicContact CG2-CG 4.42Å
168P88.3Confident79.7Confident22 Ų2256.2 Ų56.214%0.14332%0.315CS..  trans-75.2158.6175.222.6-10.1000109.2S170 K171 L209P168-S170 PolarHBondContact O-N 2.8Å; P168-S170 VanDerWaalsContact O-N 3.11Å; P168-K171 PolarHBondContact O-N 3.31Å; P168-L209 HydrophobicContact CB-CD1 4.01Å; P168-L209 HydrophobicContact CB-CD2 3.81Å; P168-L209 HydrophobicContact CB-CG 3.9Å; P168-L209 HydrophobicContact CG-CD1 3.54Å; P168-L209 HydrophobicContact CG-CD2 4.3Å; P168-L209 HydrophobicContact CG-CG 3.85Å
169P84.6Confident77.8Confident40 Ų4061.1 Ų61.126%0.2635%0.347SS..THydrogen-bonded Turntrans-55-30175.7-26.435.4000114.3K171 V254 C256 K271 Y276P169-K171 VanDerWaalsContact C-N 3.3Å; P169-K171 PolarHBondContact O-N 3.15Å; P169-V254 HydrophobicContact CG-CB 4.04Å; P169-V254 HydrophobicContact CG-CG1 3.73Å; P169-C256 VanDerWaalsContact CA-SG 3.53Å; P169-K271 PolarHBondContact O-NZ 3.37Å; P169-Y276 HydrophobicContact CB-CD2 4.34Å; P169-Y276 HydrophobicContact CB-CE2 4.2Å
170S81.4Confident75.7Confident92 Ų9266.6 Ų66.664%0.64337%0.371SS*.THydrogen-bonded Turntrans-69.1-18.517852.20000114.6P168 V172P168-S170 PolarHBondContact O-N 2.8Å; P168-S170 VanDerWaalsContact O-N 3.11Å; S170-V172 PolarHBondContact O-N 3.08Å
171K81.9Confident73.4Confident30 Ų3074.6 Ų74.613%0.1340%0.404CS..  trans-62.8124.5-179.3-18065.8178.2172.40110.2V167 P168 P169 E176 K271V167-K171 HydrophobicContact CB-CB 3.92Å; V167-K171 HydrophobicContact CB-CG 4.11Å; V167-K171 HydrophobicContact CG1-CG 4.33Å; V167-K171 HydrophobicContact CG2-CB 3.95Å; V167-K171 HydrophobicContact CG2-CG 4.24Å; P168-K171 PolarHBondContact O-N 3.31Å; P169-K171 VanDerWaalsContact C-N 3.3Å; P169-K171 PolarHBondContact O-N 3.15Å; K171-E176 IonicContact NZ-OE1 2.75Å; K171-E176 PolarHBondContact NZ-OE1 3.49Å; K171-K271 WeakPolarHBondContact O-CD 3.37Å; K171-K271 WeakPolarHBondContact O-CE 3.42Å; K171-K271 PolarHBondContact O-NZ 3.43Å
172V79.8Confident70.7Confident87 Ų8778 Ų7853%0.52742%0.417SS..  trans-73.4147.5179.8-167.30000109.9S170 E174S170-V172 PolarHBondContact O-N 3.08Å; V172-E174 HydrophobicContact CB-CG 4.28Å; V172-E174 HydrophobicContact CG1-CG 3.83Å; V172-E174 PolarHBondContact O-N 2.88Å
173V81.7Confident67.9Low70 Ų7084.9 Ų84.942%0.42445%0.451SS..  trans-86.798.4174.6-1770000107.5V269 K271V173-V269 HydrophobicContact CG1-CB 4.23Å; V173-V269 HydrophobicContact CG1-CG1 3.74Å; V173-K271 HydrophobicContact CG2-CB 3.45Å; V173-K271 VanDerWaalsContact CG2-CB 3.45Å; V173-K271 HydrophobicContact CG2-CD 4.31Å; V173-K271 HydrophobicContact CG2-CG 4.49Å
174E78.4Confident65Low112 Ų11290.5 Ų90.552%0.52347%0.472SS..  trans-130148.2179.2-68.6-179.9-174.400110.8V172 E176V172-E174 HydrophobicContact CB-CG 4.28Å; V172-E174 HydrophobicContact CG1-CG 3.83Å; V172-E174 PolarHBondContact O-N 2.88Å; E174-E176 PolarHBondContact O-N 2.86Å
175F69.4Low62.3Low125 Ų12594.1 Ų94.155%0.54850%0.496SS..  trans-76.381.8164.7-65.4-84000107.6V177 K267 V269F175-V177 PolarHBondContact O-N 3.1Å; F175-K267 HydrophobicContact CD1-CB 3.94Å; F175-K267 HydrophobicContact CE1-CB 3.63Å; F175-V269 HydrophobicContact CD1-CB 4.43Å; F175-V269 HydrophobicContact CD1-CG2 3.47Å; F175-V269 VanDerWaalsContact CD1-CG2 3.47Å; F175-V269 HydrophobicContact CE1-CB 4.27Å; F175-V269 HydrophobicContact CE1-CG2 3.67Å; F175-V269 HydrophobicContact CG-CG2 4.08Å; F175-V269 HydrophobicContact CZ-CG2 4.42Å
176E63.3Low59.6Low95 Ų95101.8 Ų101.844%0.44453%0.53SS..  trans-64.791.5166.8-77179.4-16500107.7K171 E174 L178K171-E176 IonicContact NZ-OE1 2.75Å; K171-E176 PolarHBondContact NZ-OE1 3.49Å; E174-E176 PolarHBondContact O-N 2.86Å; E176-L178 VanDerWaalsContact C-N 3.27Å; E176-L178 PolarHBondContact O-N 3.32Å
177V50.9Low56.6Low94 Ų94108.1 Ų108.157%0.5757%0.569SS**  trans-71.795.2160.4-178.20000104.3F175 P179F175-V177 PolarHBondContact O-N 3.1Å; V177-P179 VanDerWaalsContact O-CD 3.28Å; V177-P179 WeakPolarHBondContact O-CD 3.31Å
178L44.1Very low54.3Low113 Ų113117 Ų11759%0.59261%0.611SS**  trans-45.1117.8163.4-86.6152.3000106.8E176 Q180 T200E176-L178 VanDerWaalsContact C-N 3.27Å; E176-L178 PolarHBondContact O-N 3.32Å; L178-Q180 PolarHBondContact O-N 3.46Å; L178-T200 HydrophobicContact CD2-CG2 4.08Å
179P37.8Very low51.5Low112 Ų112125.3 Ų125.373%0.72765%0.647SS**  trans-56.8122.4168.5-14.827.4000105.1V177 Q181V177-P179 VanDerWaalsContact O-CD 3.28Å; V177-P179 WeakPolarHBondContact O-CD 3.31Å; P179-Q181 PolarHBondContact O-N 2.86Å
180Q34Very low49.2Very low181 Ų181131.3 Ų131.385%0.84668%0.677SS**  trans-46.3117163.8-81.9176.9-79.900106.2L178 H182L178-Q180 PolarHBondContact O-N 3.46Å; Q180-H182 PolarHBondContact O-N 2.88Å
181Q32.8Very low46.8Very low184 Ų184133 Ų13386%0.8668%0.683SS**  trans-49.1115.1163.7-78.3167.8-2900105.9P179 L183P179-Q181 PolarHBondContact O-N 2.86Å; Q181-L183 PolarHBondContact O-N 2.81Å
182H28.6Very low44.6Very low173 Ų173140.6 Ų140.680%0.80172%0.719SS**  trans-54.2105.3170.1-91.8-86.5000107Q180 H184Q180-H182 PolarHBondContact O-N 2.88Å; H182-H184 PolarHBondContact O-N 2.9Å
183L30.6Very low42.3Very low166 Ų166143.6 Ų143.687%0.86973%0.731SS**  trans-68.698.4175.8-160.182.5000107.2Q181Q181-L183 PolarHBondContact O-N 2.81Å
184H31.1Very low39.8Very low164 Ų164148.1 Ų148.176%0.75975%0.747SS**  trans-80.4130.4158.5-71.299.6000107.8H182H182-H184 PolarHBondContact O-N 2.9Å
185P36.9Very low37.4Very low92 Ų92151 Ų15160%0.59776%0.761SS**  trans-83.1158.8178.732.6-30.8000111.6
186H33.7Very low35.7Very low174 Ų174149 Ų14981%0.80676%0.759SS**  trans84.1117177.2-46.7-70.9000113.1
187T30.7Very low34.3Very low139 Ų139150 Ų15085%0.85376%0.764SS**  cis-157.5147.441.56.90000110.3
188Q40.2Very low33.6Very low193 Ų193153.2 Ų153.290%0.90277%0.772SS**  trans-59.9128.4173.2-74.4165.5-31.200112.3
189Q30.2Very low33.4Very low195 Ų195150.1 Ų150.191%0.91176%0.764SS**  trans-160.3120.4140.5-113161.812.700110.8V191Q189-V191 PolarHBondContact O-N 2.67Å
190D36.4Very low33.5Very low167 Ų167148.7 Ų148.789%0.89375%0.753SS**  trans-53.9122.6170.6-92.8-47.9000112
191V30.9Very low34.1Very low126 Ų126143.6 Ų143.676%0.76473%0.734SS**  trans-151.3127.1143.4-176.70000109.1Q189 I193Q189-V191 PolarHBondContact O-N 2.67Å; V191-I193 PolarHBondContact O-N 2.73Å
192Q35.6Very low34.5Very low191 Ų191138.9 Ų138.989%0.89372%0.715SS**  trans-49.1118172.3-66.5-178.4-24.900113
193I31.1Very low35.3Very low150 Ų150136.1 Ų136.177%0.76971%0.712SS**  trans-142.497162.8-51.4177.3000109.2V191 E195V191-I193 PolarHBondContact O-N 2.73Å; I193-E195 PolarHBondContact O-N 2.98Å
194Q28.3Very low36.1Very low165 Ų165136.9 Ų136.977%0.77171%0.709SS**  trans26.391.6142.8-159.6171.3-6.800116.1T196Q194-T196 PolarHBondContact O-N 3Å
195E29.6Very low36.9Very low171 Ų171133.8 Ų133.880%0.79969%0.694SS**  trans-66.471.3163.2-108.8-171.1115.200109.6I193 Q197I193-E195 PolarHBondContact O-N 2.98Å; E195-Q197 VanDerWaalsContact C-N 3.27Å; E195-Q197 PolarHBondContact O-N 2.72Å; E195-Q197 PolarHBondContact OE1-NE2 3.21Å
196T33Very low37.7Very low85 Ų85131.2 Ų131.252%0.52169%0.685SS.*  trans-75.394.5153-49.20000103.9Q194 Q198Q194-T196 PolarHBondContact O-N 3Å; T196-Q198 HydrophobicContact CG2-CG 4.02Å; T196-Q198 PolarHBondContact O-N 2.85Å
197Q34.6Very low38.7Very low115 Ų115131.9 Ų131.954%0.53769%0.685SS.*  trans-63.380.5160.8-67.8179.518.600106.1E195 A199E195-Q197 VanDerWaalsContact C-N 3.27Å; E195-Q197 PolarHBondContact O-N 2.72Å; E195-Q197 PolarHBondContact OE1-NE2 3.21Å; Q197-A199 PolarHBondContact O-N 2.87Å
198Q36.2Very low40.2Very low161 Ų161129.7 Ų129.775%0.75267%0.672SS**  trans-60.496.5160.6-91.3174-15.300104.5T196 T200T196-Q198 HydrophobicContact CG2-CG 4.02Å; T196-Q198 PolarHBondContact O-N 2.85Å; Q198-T200 PolarHBondContact O-N 2.96Å
199A39.6Very low41.9Very low49 Ų49121.9 Ų121.941%0.40564%0.636SS.*  trans-39111154.100000106.1Q197 T201Q197-A199 PolarHBondContact O-N 2.87Å; A199-T201 VanDerWaalsContact C-N 3.3Å; A199-T201 PolarHBondContact O-N 3.35Å; A199-T201 PolarHBondContact O-OG1 3.35Å
200T39.6Very low44.5Very low82 Ų82116.7 Ų116.750%0.50362%0.615SS.*  trans-56.895.4-169.1360000109.3L178 Q198L178-T200 HydrophobicContact CD2-CG2 4.08Å; Q198-T200 PolarHBondContact O-N 2.96Å
201T46.5Very low47.1Very low73 Ų73109.6 Ų109.645%0.44858%0.578SS.*  trans-110.9120.916512.50000103.6A199A199-T201 VanDerWaalsContact C-N 3.3Å; A199-T201 PolarHBondContact O-N 3.35Å; A199-T201 PolarHBondContact O-OG1 3.35Å
202D40.5Very low50Low85 Ų85111.1 Ų111.146%0.45557%0.57SS.*  trans-44.1125.5171.5-177.5-23.4000108.4K204 E205 G206D202-K204 PolarHBondContact O-N 2.82Å; D202-K204 WeakPolarHBondContact OD1-CB 3.34Å; D202-K204 PolarHBondContact OD1-N 2.87Å; D202-E205 PolarHBondContact O-N 3.26Å; D202-G206 PolarHBondContact O-N 3.28Å
203P46.8Very low52.7Low116 Ų116104.8 Ų104.875%0.75354%0.544SS*.THydrogen-bonded Turntrans-56-16.417918.4-29.2000113.3
204K47.1Very low55.7Low182 Ų182101.8 Ų101.879%0.79153%0.527SS*.THydrogen-bonded Turntrans-74-30.1169.8-85.1-175.6170.1177.50114.6D202D202-K204 PolarHBondContact O-N 2.82Å; D202-K204 WeakPolarHBondContact OD1-CB 3.34Å; D202-K204 PolarHBondContact OD1-N 2.87Å
205E48.3Very low58.8Low98 Ų9899.5 Ų99.546%0.45851%0.512SS..THydrogen-bonded Turntrans-95.9-24.3-176.9-72.2-175.5149.900113.3D202 K207 T208D202-E205 PolarHBondContact O-N 3.26Å; E205-K207 PolarHBondContact O-N 2.9Å; E205-K207 VanDerWaalsContact O-N 3.14Å; E205-T208 PolarHBondContact O-N 3.1Å; E205-T208 PolarHBondContact O-OG1 3.19Å
206G52.8Low61.9Low38 Ų3895.5 Ų95.539%0.39249%0.493SS..G310 helixtrans-62.8-18.3179.900000115.2D202 T208D202-G206 PolarHBondContact O-N 3.28Å; G206-T208 PolarHBondContact O-N 3.2Å
207K54.2Low64.8Low189 Ų18997.2 Ų97.282%0.82249%0.493SS*.G310 helixtrans-71.1-11.6177.2-89.2177.4177176.10114.5E205E205-K207 PolarHBondContact O-N 2.9Å; E205-K207 VanDerWaalsContact O-N 3.14Å
208T62.9Low67.6Low93 Ų9394.3 Ų94.357%0.57148%0.484SS*.G310 helixtrans-96.1-13.2-173.459.80000114.4E205 G206E205-T208 PolarHBondContact O-N 3.1Å; E205-T208 PolarHBondContact O-OG1 3.19Å; G206-T208 PolarHBondContact O-N 3.2Å
209L74.9Confident70.3Confident28 Ų2891.2 Ų91.215%0.14747%0.472CS..  trans-117.3115.5-179.9-77.1168.3000110.7P168 C211P168-L209 HydrophobicContact CB-CD1 4.01Å; P168-L209 HydrophobicContact CB-CD2 3.81Å; P168-L209 HydrophobicContact CB-CG 3.9Å; P168-L209 HydrophobicContact CG-CD1 3.54Å; P168-L209 HydrophobicContact CG-CD2 4.3Å; P168-L209 HydrophobicContact CG-CG 3.85Å; L209-C211 PolarHBondContact O-N 2.73Å
210N86.3Confident72.8Confident87 Ų8795.5 Ų95.547%0.46548%0.478SS..  trans-83.456.7170-48.8-22.5000110C248 S249 F252N210-C248 CarbonylContact O-C 3.54Å; N210-C248 WeakPolarHBondContact O-CA 3.36Å; N210-S249 PolarHBondContact O-N 3.03Å; N210-F252 HydrophobicContact CB-CE1 4.41Å; N210-F252 HydrophobicContact CB-CE2 3.58Å; N210-F252 HydrophobicContact CB-CZ 3.3Å; N210-F252 VanDerWaalsContact CG-CZ 3.41Å; N210-F252 WeakPolarHBondContact ND2-CZ 3.36Å
211C89.9Confident75.2Confident17 Ų1794 Ų9412%0.11547%0.471CS..EExtended strand (participates in β ladder)trans-122.4130.2172-73.30000108.6I166 L209 W246 R247 C248I166-C211 HydrophobicContact CG2-CB 4.38Å; L209-C211 PolarHBondContact O-N 2.73Å; C211-W246 HydrophobicContact CB-CE3 4.38Å; C211-R247 CarbonylContact C-O 3.51Å; C211-R247 WeakPolarHBondContact CA-O 3.44Å; C211-C248 HydrophobicContact CB-CB 4.16Å; C211-C248 WeakPolarHBondContact CB-SG 3.12Å; C211-C248 WeakPolarHBondContact SG-CB 3.47Å; C211-C248 CovalentContact SG-SG 2.04Å; C211-C248 PolarHBondContact SG-SG 3.08Å
212R91.7Very high77.3Confident159 Ų15996.5 Ų96.560%0.648%0.476SS*.EExtended strand (participates in β ladder)trans-137.9152.4178.667.1-178.8-174179.83.3111.2E214 W246 R247R212-E214 IonicContact NH2-OE1 3.73Å; R212-E214 PolarHBondContact O-N 2.64Å; R212-W246 CarbonylContact O-C 3.57Å; R212-W246 WeakPolarHBondContact O-CA 3.32Å; R212-R247 PolarHBondContact N-O 3.47Å; R212-R247 PolarHBondContact O-N 3.43Å
213V93.2Very high79.6Confident58 Ų5899.4 Ų99.435%0.35248%0.484SS..EExtended strand (participates in β ladder)trans-72.2123.8169.7-174.60000108.2E216 W246V213-E216 HydrophobicContact CG1-CB 4.11Å; V213-W246 HydrophobicContact CG2-CD2 3.92Å; V213-W246 HydrophobicContact CG2-CE3 4.11Å; V213-W246 HydrophobicContact CG2-CH2 3.65Å; V213-W246 HydrophobicContact CG2-CZ2 3.42Å; V213-W246 VanDerWaalsContact CG2-CZ2 3.42Å; V213-W246 HydrophobicContact CG2-CZ3 3.99Å
214E94Very high81.6Confident86 Ų8697.9 Ų97.940%0.40248%0.477SS..EExtended strand (participates in β ladder)trans-97.8-32.6171.4-73.1-162.2143.300112R212 A245 R247R212-E214 IonicContact NH2-OE1 3.73Å; R212-E214 PolarHBondContact O-N 2.64Å; E214-A245 PolarHBondContact N-O 3Å; E214-R247 VanDerWaalsContact CD-CB 3.44Å; E214-R247 HydrophobicContact CG-CB 3.65Å; E214-R247 WeakPolarHBondContact OE1-CD 3.3Å; E214-R247 IonicContact OE1-CZ 2.87Å; E214-R247 IonicContact OE1-NE 3.71Å; E214-R247 IonicContact OE1-NH1 2.72Å; E214-R247 PolarHBondContact OE1-NH1 2.98Å; E214-R247 WeakPolarHBondContact OE2-CD 3.28Å
215Y93Very high83.5Confident118 Ų11894.7 Ų94.746%0.46346%0.462SS..EExtended strand (participates in β ladder)trans-147.8137.9-178.8172.5-100.7000109.4K217 H243 A244 A245Y215-K217 HydrophobicContact CE1-CB 3.84Å; Y215-K217 HydrophobicContact CE2-CB 4.16Å; Y215-K217 VanDerWaalsContact CZ-CB 3.44Å; Y215-K217 WeakPolarHBondContact OH-CB 3.43Å; Y215-K217 WeakPolarHBondContact OH-CD 3.32Å; Y215-H243 HydrophobicContact CE1-CB 4.4Å; Y215-A244 CarbonylContact O-C 3.45Å; Y215-A244 VanDerWaalsContact O-CA 3.28Å; Y215-A244 WeakPolarHBondContact O-CA 3.36Å; Y215-A245 PolarHBondContact N-O 2.88Å; Y215-A245 PolarHBondContact O-N 2.91Å
216E94.1Very high85.5Confident86 Ų8694.4 Ų94.440%0.40247%0.469SS..EExtended strand (participates in β ladder)trans-143.7134167.7-175165.9-169.100108.5V213 T242 H243 A244V213-E216 HydrophobicContact CG1-CB 4.11Å; E216-T242 HydrophobicContact CG-CG2 4.16Å; E216-H243 CarbonylContact C-O 3.43Å; E216-H243 WeakPolarHBondContact CA-O 3.45Å; E216-A244 HydrophobicContact CG-CB 4.3Å
217K95.1Very high87.3Confident121 Ų12193.5 Ų93.553%0.52646%0.457SS..EExtended strand (participates in β ladder)trans-138125.1173.9176.3176.3178.9178.20109.2Y215 T242 H243Y215-K217 HydrophobicContact CE1-CB 3.84Å; Y215-K217 HydrophobicContact CE2-CB 4.16Å; Y215-K217 VanDerWaalsContact CZ-CB 3.44Å; Y215-K217 WeakPolarHBondContact OH-CB 3.43Å; Y215-K217 WeakPolarHBondContact OH-CD 3.32Å; K217-T242 CarbonylContact O-C 3.54Å; K217-T242 VanDerWaalsContact O-CA 3.28Å; K217-T242 WeakPolarHBondContact O-CA 3.32Å; K217-H243 PolarHBondContact N-O 3.03Å; K217-H243 PolarHBondContact O-N 2.87Å
218T93.7Very high88.7Confident55 Ų5591.7 Ų91.734%0.33746%0.455SS..EExtended strand (participates in β ladder)trans-117.4123.4179.8-58.20000108.8R220 T240 T242T218-R220 HydrophobicContact CG2-CG 3.93Å; T218-T240 HydrophobicContact CG2-CG2 3.82Å; T218-T242 VanDerWaalsContact OG1-CG2 3.32Å; T218-T242 WeakPolarHBondContact OG1-CG2 3.18Å; T218-T242 PolarHBondContact OG1-OG1 2.78Å
219D92.8Very high89.9Confident96 Ų9697.8 Ų97.851%0.51347%0.469SS..EExtended strand (participates in β ladder)trans-108.1126.3171.7-172.9-5.8000108.5T240 Q241D219-T240 CarbonylContact O-C 3.01Å; D219-T240 WeakPolarHBondContact O-CA 3.18Å; D219-Q241 PolarHBondContact N-O 3.48Å; D219-Q241 PolarHBondContact O-N 3.05Å
220R91.4Very high90.7Very high138 Ų13898.9 Ų98.952%0.52148%0.475SS..EExtended strand (participates in β ladder)trans-123.3126.9-179-63.2-168.1179.8166.50109.5T218 T240T218-R220 HydrophobicContact CG2-CG 3.93Å; R220-T240 HydrophobicContact CG-CG2 3.97Å
221S89.9Confident90.9Very high52 Ų5299.8 Ų99.836%0.36449%0.486SS..EExtended strand (participates in β ladder)trans-122.2126.5173.665.60000109.7E238 H239S221-E238 WeakPolarHBondContact O-CA 3.17Å; S221-H239 PolarHBondContact N-O 2.93Å; S221-H239 PolarHBondContact O-N 2.95Å; S221-H239 PolarHBondContact OG-O 2.71Å
222K89.8Confident90.9Very high124 Ų124103.8 Ų103.854%0.53951%0.514SS..EExtended strand (participates in β ladder)trans-115126.6178.5-174.3173.4175.6177.80108.9F236K222-F236 HydrophobicContact CD-CB 4.49Å; K222-F236 HydrophobicContact CD-CD1 4.2Å; K222-F236 HydrophobicContact CD-CG 4.47Å; K222-F236 VanDerWaalsContact CE-CB 3.48Å; K222-F236 HydrophobicContact CG-CB 4.28Å; K222-F236 HydrophobicContact CG-CD1 4.16Å
223K88.9Confident90.9Very high146 Ų146101.5 Ų101.564%0.63551%0.51SS*.EExtended strand (participates in β ladder)trans-116.4126.6176-65.4-175.9179.6-1780109.4F236 T237K223-F236 WeakPolarHBondContact O-CA 3.44Å; K223-T237 PolarHBondContact N-O 3.09Å; K223-T237 PolarHBondContact O-N 2.75Å; K223-T237 PolarHBondContact O-OG1 3.29Å
224S89.1Confident90.7Very high85 Ų85103 Ų10359%0.59452%0.52SS*.EExtended strand (participates in β ladder)trans-83.5141.7171.350.90000110.3C235S224-C235 WeakPolarHBondContact CA-O 3.4Å
225K87.6Confident90.4Very high114 Ų114101.1 Ų101.150%0.49652%0.515SS..EExtended strand (participates in β ladder)trans-148.6147.6172.764.3-176.8-169.6-179.10109.5C235 T237K225-C235 HydrophobicContact CG-CB 4.42Å; K225-C235 PolarHBondContact N-O 2.89Å; K225-C235 CarbonylContact O-C 3.54Å; K225-C235 WeakPolarHBondContact O-CA 3.4Å; K225-C235 WeakPolarHBondContact O-CB 3.46Å; K225-C235 PolarHBondContact O-N 2.81Å; K225-T237 HydrophobicContact CD-CG2 4.1Å
226P90.7Very high90.1Very high92 Ų9299.8 Ų99.860%0.59751%0.512SS*.EExtended strand (participates in β ladder)trans-54.2142.1169.9-24.734.6000111.1Q233P226-Q233 WeakPolarHBondContact CA-O 3.37Å
227C89.3Confident89.7Confident19 Ų1998.2 Ų98.213%0.12851%0.508CS..  trans-69149177.3-62.60000111D230 Q233 C235C227-D230 WeakPolarHBondContact CB-O 3.37Å; C227-D230 CarbonylContact O-C 3.6Å; C227-Q233 HydrophobicContact CB-CB 4.31Å; C227-Q233 PolarHBondContact N-O 3.05Å; C227-C235 VanDerWaalsContact CA-SG 3.53Å; C227-C235 HydrophobicContact CB-CB 4.05Å; C227-C235 WeakPolarHBondContact CB-SG 3.28Å; C227-C235 VanDerWaalsContact SG-CA 3.54Å; C227-C235 WeakPolarHBondContact SG-CB 3.41Å; C227-C235 PolarHBondContact SG-N 3.32Å; C227-C235 CovalentContact SG-SG 2.03Å; C227-C235 PolarHBondContact SG-SG 3.18Å
228L85Confident89.4Confident152 Ų15293.9 Ų93.980%0.79649%0.49SS*.SBendtrans-66.3-40.2-176.4-177.266.1000112.8
229Y86.4Confident89.2Confident220 Ų22094.6 Ų94.686%0.86349%0.49SS*.SBendtrans-92.6-15.3-175-62.2-74.9000113.5
230D92.1Very high89.2Confident51 Ų5190.3 Ų90.327%0.27347%0.467SS..  trans-148.696.8178.4-176.3-4.7000109.6C227 S232 Q233C227-D230 WeakPolarHBondContact CB-O 3.37Å; C227-D230 CarbonylContact O-C 3.6Å; D230-S232 VanDerWaalsContact CG-OG 3.3Å; D230-S232 PolarHBondContact O-N 3.07Å; D230-S232 WeakPolarHBondContact OD1-CB 3.49Å; D230-S232 PolarHBondContact OD1-N 2.88Å; D230-S232 PolarHBondContact OD1-OG 2.03Å; D230-S232 PolarHBondContact OD2-OG 3.4Å; D230-Q233 HydrophobicContact CB-CB 4.47Å; D230-Q233 HydrophobicContact CB-CG 4.33Å; D230-Q233 PolarHBondContact O-N 2.75Å; D230-Q233 VanDerWaalsContact O-N 3.09Å; D230-Q233 WeakPolarHBondContact OD2-CG 3.24Å; D230-Q233 PolarHBondContact OD2-NE2 2.84Å
231P90.3Very high89.3Confident107 Ų10786 Ų8670%0.69545%0.452SS*.THydrogen-bonded Turntrans-69.1-10.7-177.528.9-34.8000113.5Q233P231-Q233 VanDerWaalsContact C-N 3.27Å
232S91.7Very high89.6Confident100 Ų10083.6 Ų83.670%0.69944%0.436SS*.THydrogen-bonded Turntrans-76-18.3172.576.60000112.6D230D230-S232 VanDerWaalsContact CG-OG 3.3Å; D230-S232 PolarHBondContact O-N 3.07Å; D230-S232 WeakPolarHBondContact OD1-CB 3.49Å; D230-S232 PolarHBondContact OD1-N 2.88Å; D230-S232 PolarHBondContact OD1-OG 2.03Å; D230-S232 PolarHBondContact OD2-OG 3.4Å
233Q90.5Very high89.9Confident111 Ų11181.1 Ų81.152%0.51943%0.426SS..SBendtrans-95.7143.3176.7-67-178.232.300111.9P226 C227 D230 P231P226-Q233 WeakPolarHBondContact CA-O 3.37Å; C227-Q233 HydrophobicContact CB-CB 4.31Å; C227-Q233 PolarHBondContact N-O 3.05Å; D230-Q233 HydrophobicContact CB-CB 4.47Å; D230-Q233 HydrophobicContact CB-CG 4.33Å; D230-Q233 PolarHBondContact O-N 2.75Å; D230-Q233 VanDerWaalsContact O-N 3.09Å; D230-Q233 WeakPolarHBondContact OD2-CG 3.24Å; D230-Q233 PolarHBondContact OD2-NE2 2.84Å; P231-Q233 VanDerWaalsContact C-N 3.27Å
234T89.7Confident90.2Very high90 Ų9074.4 Ų74.455%0.55240%0.398SS*.EExtended strand (participates in β ladder)trans-95.9117.1174-59.60000110.3F236T234-F236 HydrophobicContact CG2-CE1 4.07Å; T234-F236 HydrophobicContact CG2-CE2 4.47Å; T234-F236 HydrophobicContact CG2-CZ 3.97Å
235C87.6Confident90.5Very high46 Ų4670.7 Ų70.731%0.31137%0.372SS..EExtended strand (participates in β ladder)trans-93.6157.1171.6-84.50000110.7S224 K225 C227S224-C235 WeakPolarHBondContact CA-O 3.4Å; K225-C235 HydrophobicContact CG-CB 4.42Å; K225-C235 PolarHBondContact N-O 2.89Å; K225-C235 CarbonylContact O-C 3.54Å; K225-C235 WeakPolarHBondContact O-CA 3.4Å; K225-C235 WeakPolarHBondContact O-CB 3.46Å; K225-C235 PolarHBondContact O-N 2.81Å; C227-C235 VanDerWaalsContact CA-SG 3.53Å; C227-C235 HydrophobicContact CB-CB 4.05Å; C227-C235 WeakPolarHBondContact CB-SG 3.28Å; C227-C235 VanDerWaalsContact SG-CA 3.54Å; C227-C235 WeakPolarHBondContact SG-CB 3.41Å; C227-C235 PolarHBondContact SG-N 3.32Å; C227-C235 CovalentContact SG-SG 2.03Å; C227-C235 PolarHBondContact SG-SG 3.18Å
236F86.3Confident90.8Very high91 Ų9166.4 Ų66.440%0.39935%0.353SS..EExtended strand (participates in β ladder)trans-123.8138.8178.6-58-80.9000111.2L159 K222 K223 T234L159-F236 HydrophobicContact CD1-CB 4.44Å; K222-F236 HydrophobicContact CD-CB 4.49Å; K222-F236 HydrophobicContact CD-CD1 4.2Å; K222-F236 HydrophobicContact CD-CG 4.47Å; K222-F236 VanDerWaalsContact CE-CB 3.48Å; K222-F236 HydrophobicContact CG-CB 4.28Å; K222-F236 HydrophobicContact CG-CD1 4.16Å; K223-F236 WeakPolarHBondContact O-CA 3.44Å; T234-F236 HydrophobicContact CG2-CE1 4.07Å; T234-F236 HydrophobicContact CG2-CE2 4.47Å; T234-F236 HydrophobicContact CG2-CZ 3.97Å
237T84.9Confident90.9Very high52 Ų5265.8 Ų65.832%0.31934%0.339SS..EExtended strand (participates in β ladder)trans-111.8123165.152.30000108.1K223 K225K223-T237 PolarHBondContact N-O 3.09Å; K223-T237 PolarHBondContact O-N 2.75Å; K223-T237 PolarHBondContact O-OG1 3.29Å; K225-T237 HydrophobicContact CD-CG2 4.1Å
238E89.1Confident91Very high31 Ų3164.9 Ų64.915%0.14533%0.333CS..EExtended strand (participates in β ladder)trans-103.7135.7174.6-170.4171.5142.200109.1S157 S158 L159 S221 T240S157-E238 CarbonylContact C-O 3.47Å; S157-E238 WeakPolarHBondContact CA-O 3.37Å; S158-E238 PolarHBondContact N-O 3.24Å; S158-E238 VanDerWaalsContact N-O 3.15Å; L159-E238 HydrophobicContact CD2-CB 4.08Å; L159-E238 HydrophobicContact CG-CB 4.25Å; S221-E238 WeakPolarHBondContact O-CA 3.17Å; E238-T240 PolarHBondContact OE1-OG1 3.5Å
239H90.8Very high91.2Very high70 Ų7060.2 Ų60.232%0.32431%0.312SS..EExtended strand (participates in β ladder)trans-123.5119.5171.2178.4-74.5000108.8N155 S156 S221N155-H239 PolarHBondContact ND2-CE1 2.82Å; N155-H239 PolarHBondContact ND2-NE2 2.81Å; N155-H239 PolarHBondContact OD1-NE2 2.92Å; S156-H239 CarbonylContact O-C 3.56Å; S156-H239 VanDerWaalsContact O-CA 3.24Å; S156-H239 WeakPolarHBondContact O-CA 3.43Å; S221-H239 PolarHBondContact N-O 2.93Å; S221-H239 PolarHBondContact O-N 2.95Å; S221-H239 PolarHBondContact OG-O 2.71Å
240T92.1Very high90.8Very high6 Ų653 Ų534%0.03729%0.285CS..EExtended strand (participates in β ladder)trans-116128.4-176.7-650000109.2N155 S156 T218 D219 R220 E238N155-T240 CarbonylContact C-O 3.56Å; N155-T240 VanDerWaalsContact CA-O 3.32Å; N155-T240 WeakPolarHBondContact CA-O 3.03Å; S156-T240 PolarHBondContact N-O 3.46Å; S156-T240 PolarHBondContact O-N 3.49Å; T218-T240 HydrophobicContact CG2-CG2 3.82Å; D219-T240 CarbonylContact O-C 3.01Å; D219-T240 WeakPolarHBondContact O-CA 3.18Å; R220-T240 HydrophobicContact CG-CG2 3.97Å; E238-T240 PolarHBondContact OE1-OG1 3.5Å
241Q94Very high89.4Confident46 Ų4656.3 Ų56.322%0.21531%0.31CS..EExtended strand (participates in β ladder)trans-123.2120.8174.2-178.3178.7-4.200109.5R153 H154 D219 H243R153-Q241 VanDerWaalsContact NE-NE2 3.16Å; H154-Q241 WeakPolarHBondContact O-CA 3.4Å; D219-Q241 PolarHBondContact N-O 3.48Å; D219-Q241 PolarHBondContact O-N 3.05Å; Q241-H243 PolarHBondContact NE2-NE2 3.13Å
242T95Very high88.2Confident3 Ų352.9 Ų52.92%0.01828%0.284CS..EExtended strand (participates in β ladder)trans-124.1141-178-49.80000110.4R153 H154 E216 K217 T218R153-T242 CarbonylContact C-O 3.54Å; R153-T242 VanDerWaalsContact CA-O 3.31Å; R153-T242 WeakPolarHBondContact CA-O 3.34Å; H154-T242 WeakPolarHBondContact CE1-CB 3.15Å; H154-T242 VanDerWaalsContact CE1-CG2 3.4Å; H154-T242 WeakPolarHBondContact CE1-CG2 3.25Å; H154-T242 PolarHBondContact CE1-OG1 3.33Å; H154-T242 PolarHBondContact N-O 2.6Å; H154-T242 WeakPolarHBondContact NE2-CB 3.12Å; H154-T242 PolarHBondContact NE2-OG1 3.03Å; H154-T242 PolarHBondContact O-N 3.49Å; E216-T242 HydrophobicContact CG-CG2 4.16Å; K217-T242 CarbonylContact O-C 3.54Å; K217-T242 VanDerWaalsContact O-CA 3.28Å; K217-T242 WeakPolarHBondContact O-CA 3.32Å; T218-T242 VanDerWaalsContact OG1-CG2 3.32Å; T218-T242 WeakPolarHBondContact OG1-CG2 3.18Å; T218-T242 PolarHBondContact OG1-OG1 2.78Å
243H95.9Very high86.9Confident71 Ų7156 Ų5633%0.32929%0.285SS..EExtended strand (participates in β ladder)trans-122.5128.3170.4-58-102000108.6F152 Y215 E216 K217 Q241F152-H243 CarbonylContact O-C 3.56Å; F152-H243 VanDerWaalsContact O-CA 3.3Å; F152-H243 WeakPolarHBondContact O-CA 3.4Å; Y215-H243 HydrophobicContact CE1-CB 4.4Å; E216-H243 CarbonylContact C-O 3.43Å; E216-H243 WeakPolarHBondContact CA-O 3.45Å; K217-H243 PolarHBondContact N-O 3.03Å; K217-H243 PolarHBondContact O-N 2.87Å; Q241-H243 PolarHBondContact NE2-NE2 3.13Å
244A96.1Very high86.3Confident6 Ų651.3 Ų51.35%0.0526%0.264CS..EExtended strand (participates in β ladder)trans-131.2142.4178.300000110.4Y151 F152 Y215 E216Y151-A244 CarbonylContact C-O 3.48Å; Y151-A244 WeakPolarHBondContact CA-O 3.33Å; F152-A244 PolarHBondContact N-O 3.47Å; F152-A244 PolarHBondContact O-N 3.44Å; Y215-A244 CarbonylContact O-C 3.45Å; Y215-A244 VanDerWaalsContact O-CA 3.28Å; Y215-A244 WeakPolarHBondContact O-CA 3.36Å; E216-A244 HydrophobicContact CG-CB 4.3Å
245A95.5Very high86.2Confident6 Ų647 Ų475%0.0524%0.238CC..EExtended strand (participates in β ladder)trans-120.2117.6173.800000109.1T149 V150 Y151 E214 Y215T149-A245 HydrophobicContact CG2-CB 4.04Å; V150-A245 WeakPolarHBondContact O-CA 3.49Å; Y151-A245 HydrophobicContact CD1-CB 3.77Å; Y151-A245 HydrophobicContact CE1-CB 3.73Å; E214-A245 PolarHBondContact N-O 3Å; Y215-A245 PolarHBondContact N-O 2.88Å; Y215-A245 PolarHBondContact O-N 2.91Å
246W94.8Very high86.3Confident24 Ų2444.9 Ų44.99%0.09122%0.223CC..EExtended strand (participates in β ladder)trans-103.8123.8176.3-73.573.4000109.4T149 V150 F152 I166 C211 R212 V213T149-W246 CarbonylContact C-O 3.56Å; T149-W246 VanDerWaalsContact CA-O 3.22Å; T149-W246 WeakPolarHBondContact CA-O 3.36Å; V150-W246 PolarHBondContact N-O 3.14Å; V150-W246 PolarHBondContact O-N 3.18Å; F152-W246 AromaticContact CD2-CD1 3.62Å; F152-W246 AromaticContact CE2-CD1 3.75Å; F152-W246 HydrophobicContact CE2-CG 4.3Å; I166-W246 HydrophobicContact CB-CD2 4.28Å; I166-W246 HydrophobicContact CB-CE3 3.99Å; I166-W246 HydrophobicContact CB-CZ3 4.38Å; I166-W246 HydrophobicContact CD1-CB 3.43Å; I166-W246 VanDerWaalsContact CD1-CB 3.43Å; I166-W246 HydrophobicContact CD1-CD2 4.19Å; I166-W246 HydrophobicContact CD1-CE3 4.4Å; I166-W246 HydrophobicContact CD1-CG 3.8Å; I166-W246 HydrophobicContact CG1-CB 4.17Å; I166-W246 HydrophobicContact CG1-CD2 3.96Å; I166-W246 HydrophobicContact CG1-CE3 4.17Å; I166-W246 HydrophobicContact CG1-CG 3.97Å; C211-W246 HydrophobicContact CB-CE3 4.38Å; R212-W246 CarbonylContact O-C 3.57Å; R212-W246 WeakPolarHBondContact O-CA 3.32Å; V213-W246 HydrophobicContact CG2-CD2 3.92Å; V213-W246 HydrophobicContact CG2-CE3 4.11Å; V213-W246 HydrophobicContact CG2-CH2 3.65Å; V213-W246 HydrophobicContact CG2-CZ2 3.42Å; V213-W246 VanDerWaalsContact CG2-CZ2 3.42Å; V213-W246 HydrophobicContact CG2-CZ3 3.99Å
247R92.7Very high86.6Confident80 Ų8040.5 Ų40.530%0.30220%0.204SC..EExtended strand (participates in β ladder)trans-101.4129172.7-173.2175.5-178175.91.9110.4C211 R212 E214C211-R247 CarbonylContact C-O 3.51Å; C211-R247 WeakPolarHBondContact CA-O 3.44Å; R212-R247 PolarHBondContact N-O 3.47Å; R212-R247 PolarHBondContact O-N 3.43Å; E214-R247 VanDerWaalsContact CD-CB 3.44Å; E214-R247 HydrophobicContact CG-CB 3.65Å; E214-R247 WeakPolarHBondContact OE1-CD 3.3Å; E214-R247 IonicContact OE1-CZ 2.87Å; E214-R247 IonicContact OE1-NE 3.71Å; E214-R247 IonicContact OE1-NH1 2.72Å; E214-R247 PolarHBondContact OE1-NH1 2.98Å; E214-R247 WeakPolarHBondContact OE2-CD 3.28Å
248C91.2Very high86.9Confident0 Ų039.1 Ų39.10%019%0.193CC..EExtended strand (participates in β ladder)trans-124.7144.7-179.2-64.80000110.9T147 F148 N210 C211T147-C248 CarbonylContact C-O 3.59Å; T147-C248 VanDerWaalsContact CA-O 3.26Å; T147-C248 WeakPolarHBondContact CA-O 3.3Å; T147-C248 WeakPolarHBondContact CB-O 3.37Å; F148-C248 HydrophobicContact CD1-CB 4.03Å; F148-C248 HydrophobicContact CD2-CB 4.02Å; F148-C248 HydrophobicContact CE1-CB 3.47Å; F148-C248 VanDerWaalsContact CE1-CB 3.47Å; F148-C248 HydrophobicContact CE2-CB 3.46Å; F148-C248 VanDerWaalsContact CE2-CB 3.46Å; F148-C248 HydrophobicContact CG-CB 4.29Å; F148-C248 HydrophobicContact CZ-CB 3.17Å; F148-C248 PolarHBondContact N-O 2.89Å; F148-C248 PolarHBondContact O-N 2.86Å; N210-C248 CarbonylContact O-C 3.54Å; N210-C248 WeakPolarHBondContact O-CA 3.36Å; C211-C248 HydrophobicContact CB-CB 4.16Å; C211-C248 WeakPolarHBondContact CB-SG 3.12Å; C211-C248 WeakPolarHBondContact SG-CB 3.47Å; C211-C248 CovalentContact SG-SG 2.04Å; C211-C248 PolarHBondContact SG-SG 3.08Å
249S89.3Confident87.1Confident53 Ų5337.6 Ų37.637%0.37119%0.187SC..  trans-112.710.8-162.1-67.20000119.5G146 N210G146-S249 CarbonylContact O-C 3.55Å; N210-S249 PolarHBondContact O-N 3.03Å
250K76.8Confident87.1Confident68 Ų6835.8 Ų35.830%0.29618%0.181SC..SBendtrans53.5157.7-166.6-68.9177.6-170.8157.20112.6D142 G146 F252D142-K250 IonicContact OD2-NZ 3.78Å; G146-K250 WeakPolarHBondContact O-CB 3.31Å; G146-K250 WeakPolarHBondContact O-CD 3.45Å; G146-K250 VanDerWaalsContact O-CG 3.27Å; G146-K250 WeakPolarHBondContact O-CG 3.4Å; K250-F252 VanDerWaalsContact C-CE2 3.46Å; K250-F252 VanDerWaalsContact N-CE2 3.26Å; K250-F252 WeakPolarHBondContact O-CE2 3.35Å; K250-F252 WeakPolarHBondContact O-CZ 3.14Å
251P63.3Low87Confident121 Ų12135.7 Ų35.779%0.78618%0.18SC*.SBendcis-85.988.5-1.135.7-32.1000111.4
252F64.6Low86.6Confident36 Ų3637.1 Ų37.116%0.15819%0.189CC..  trans-124.3134.2173.3-36.4-67.6000108.1N210 K250N210-F252 HydrophobicContact CB-CE1 4.41Å; N210-F252 HydrophobicContact CB-CE2 3.58Å; N210-F252 HydrophobicContact CB-CZ 3.3Å; N210-F252 VanDerWaalsContact CG-CZ 3.41Å; N210-F252 WeakPolarHBondContact ND2-CZ 3.36Å; K250-F252 VanDerWaalsContact C-CE2 3.46Å; K250-F252 VanDerWaalsContact N-CE2 3.26Å; K250-F252 WeakPolarHBondContact O-CE2 3.35Å; K250-F252 WeakPolarHBondContact O-CZ 3.14Å
253K65.1Low86.1Confident165 Ų16538 Ų3872%0.71720%0.196SC*.SBendtrans-104.2-28.8175.7-65-179.5-177.3173.90112
254V77.6Confident85.5Confident12 Ų1241.6 Ų41.67%0.07322%0.216CC..  trans-129123.2-177.5-171.10000109.3P169 Q279P169-V254 HydrophobicContact CG-CB 4.04Å; P169-V254 HydrophobicContact CG-CG1 3.73Å; V254-Q279 VanDerWaalsContact CG2-CD 3.47Å; V254-Q279 HydrophobicContact CG2-CG 3.84Å
255I86.8Confident84.8Confident1 Ų145.3 Ų45.31%0.00524%0.235CC..  trans-121.5154168.360.9172000108.1W120 F148 V150 I166W120-I255 HydrophobicContact CH2-CD1 3.89Å; W120-I255 HydrophobicContact CH2-CG1 4.18Å; W120-I255 HydrophobicContact CZ2-CD1 3.66Å; W120-I255 HydrophobicContact CZ2-CG1 3.61Å; F148-I255 HydrophobicContact CE2-CD1 3.77Å; F148-I255 HydrophobicContact CZ-CD1 4Å; F148-I255 HydrophobicContact CZ-CG2 4.48Å; V150-I255 HydrophobicContact CG2-CD1 4.41Å; I166-I255 HydrophobicContact CD1-CD1 4.26Å; I166-I255 HydrophobicContact CG2-CB 3.82Å; I166-I255 HydrophobicContact CG2-CD1 3.99Å; I166-I255 HydrophobicContact CG2-CG1 4.42Å; I166-I255 HydrophobicContact CG2-CG2 4.15Å
256C89.8Confident84.2Confident0 Ų049 Ų490%025%0.248CC..EExtended strand (participates in β ladder)trans-117.8147.2173.6-55.70000109.9I166 V167 P169 K271 V272 C273I166-C256 WeakPolarHBondContact CA-O 3.43Å; V167-C256 HydrophobicContact CG2-CB 3.89Å; V167-C256 PolarHBondContact N-O 3Å; V167-C256 PolarHBondContact O-N 3.4Å; P169-C256 VanDerWaalsContact CA-SG 3.53Å; C256-K271 HydrophobicContact CB-CD 4.12Å; C256-K271 HydrophobicContact CB-CG 3.77Å; C256-V272 CarbonylContact C-O 3.5Å; C256-V272 WeakPolarHBondContact CA-O 3.34Å; C256-V272 WeakPolarHBondContact CB-O 3.48Å; C256-C273 HydrophobicContact CB-CB 4.08Å; C256-C273 WeakPolarHBondContact CB-SG 3.45Å; C256-C273 WeakPolarHBondContact SG-CB 3.29Å; C256-C273 CovalentContact SG-SG 2.03Å; C256-C273 PolarHBondContact SG-SG 3.06Å
257I92.5Very high83.9Confident0 Ų053.9 Ų53.90%027%0.27CS..EExtended strand (participates in β ladder)trans-94.8123.1172.3-52.1167.7000106.3W120 F123 F152 V164 S165 I259 K271 V272W120-I257 HydrophobicContact CH2-CD1 4.05Å; W120-I257 HydrophobicContact CH2-CG1 4.19Å; W120-I257 HydrophobicContact CZ3-CD1 3.66Å; W120-I257 HydrophobicContact CZ3-CG1 4.31Å; F123-I257 HydrophobicContact CB-CD1 4.07Å; F123-I257 HydrophobicContact CD1-CD1 3.79Å; F123-I257 HydrophobicContact CD2-CD1 3.42Å; F123-I257 VanDerWaalsContact CD2-CD1 3.42Å; F123-I257 HydrophobicContact CE1-CD1 4.03Å; F123-I257 HydrophobicContact CE1-CG2 4.3Å; F123-I257 HydrophobicContact CE2-CD1 3.69Å; F123-I257 HydrophobicContact CG-CD1 3.46Å; F123-I257 VanDerWaalsContact CG-CD1 3.46Å; F123-I257 HydrophobicContact CZ-CD1 3.98Å; F123-I257 HydrophobicContact CZ-CG2 4.4Å; F152-I257 HydrophobicContact CE1-CD1 4.17Å; F152-I257 HydrophobicContact CE1-CG1 4.32Å; F152-I257 HydrophobicContact CE1-CG2 3.98Å; F152-I257 HydrophobicContact CZ-CD1 4.5Å; F152-I257 HydrophobicContact CZ-CG1 4.19Å; F152-I257 HydrophobicContact CZ-CG2 4.09Å; V164-I257 HydrophobicContact CG1-CG2 3.99Å; S165-I257 WeakPolarHBondContact O-CA 3.46Å; I257-I259 HydrophobicContact CG2-CD1 4.4Å; I257-I259 HydrophobicContact CG2-CG1 4.07Å; I257-K271 CarbonylContact O-C 3.54Å; I257-K271 WeakPolarHBondContact O-CA 3.05Å; I257-V272 PolarHBondContact N-O 3Å; I257-V272 PolarHBondContact O-N 3.45Å
258F93Very high83.7Confident22 Ų2252 Ų5210%0.09627%0.265CS..EExtended strand (participates in β ladder)trans-105.8125.6174.4-169.7-96.2000108.8V164 S165 V167 V269 Q270 K271V164-F258 WeakPolarHBondContact CA-O 3.11Å; S165-F258 PolarHBondContact N-O 2.89Å; S165-F258 PolarHBondContact O-N 3.3Å; V167-F258 HydrophobicContact CB-CB 4.34Å; V167-F258 HydrophobicContact CG1-CB 3.61Å; V167-F258 HydrophobicContact CG1-CG 4.27Å; V167-F258 HydrophobicContact CG2-CB 3.77Å; F258-V269 HydrophobicContact CD2-CG1 4.49Å; F258-V269 HydrophobicContact CE1-CG1 4.02Å; F258-V269 HydrophobicContact CE2-CG1 3.51Å; F258-V269 HydrophobicContact CZ-CG1 3.22Å; F258-Q270 WeakPolarHBondContact CA-O 3.07Å; F258-K271 HydrophobicContact CD2-CB 4.2Å
259I92.9Very high83.7Confident0 Ų053 Ų530%027%0.272CS..EExtended strand (participates in β ladder)trans-120.4121179.7-58.6172.3000106.4F123 F125 L134 V136 S163 V164 I257 V269 Q270F123-I259 HydrophobicContact CE1-CD1 3.93Å; F123-I259 HydrophobicContact CZ-CD1 3.77Å; F125-I259 HydrophobicContact CB-CD1 4.05Å; F125-I259 HydrophobicContact CD1-CD1 3.63Å; F125-I259 HydrophobicContact CD1-CG2 4.41Å; F125-I259 HydrophobicContact CD2-CD1 4.3Å; F125-I259 HydrophobicContact CE1-CD1 4.07Å; F125-I259 HydrophobicContact CE1-CG2 4.05Å; F125-I259 HydrophobicContact CG-CD1 3.74Å; L134-I259 HydrophobicContact CD2-CG2 4.1Å; V136-I259 HydrophobicContact CB-CD1 4.45Å; V136-I259 HydrophobicContact CG1-CD1 4.47Å; V136-I259 HydrophobicContact CG2-CD1 4.33Å; V136-I259 HydrophobicContact CG2-CG2 4.48Å; S163-I259 WeakPolarHBondContact O-CA 3.14Å; V164-I259 HydrophobicContact CG1-CG1 4.38Å; V164-I259 HydrophobicContact CG2-CG1 4.45Å; I257-I259 HydrophobicContact CG2-CD1 4.4Å; I257-I259 HydrophobicContact CG2-CG1 4.07Å; I259-V269 CarbonylContact O-C 3.54Å; I259-V269 WeakPolarHBondContact O-CA 3.28Å; I259-Q270 PolarHBondContact N-O 2.98Å; I259-Q270 PolarHBondContact O-N 3.43Å
260S91Very high83.8Confident31 Ų3154.2 Ų54.222%0.21727%0.272CS..EExtended strand (participates in β ladder)trans-121.4141.6169.873.60000110.3V162 S163 L268V162-S260 WeakPolarHBondContact CA-O 3.44Å; S163-S260 PolarHBondContact N-O 2.82Å; S163-S260 PolarHBondContact O-N 2.94Å; S163-S260 PolarHBondContact OG-OG 3.5Å; S260-L268 CarbonylContact C-O 3.49Å; S260-L268 WeakPolarHBondContact CA-O 3.49Å
261F88.6Confident84.5Confident4 Ų453.4 Ų53.42%0.01827%0.268CS..EExtended strand (participates in β ladder)trans-136.2129.3171.5169.4-105.2000109.6F132 S158 N161 V162 K267 L268F132-F261 HydrophobicContact CB-CE1 4.32Å; F132-F261 HydrophobicContact CB-CZ 4.31Å; F132-F261 HydrophobicContact CD1-CD1 4.08Å; F132-F261 AromaticContact CD1-CE1 3.67Å; F132-F261 HydrophobicContact CD1-CE1 3.67Å; F132-F261 HydrophobicContact CD1-CZ 4.21Å; F132-F261 HydrophobicContact CD2-CD1 4.24Å; F132-F261 HydrophobicContact CD2-CD2 4.37Å; F132-F261 AromaticContact CD2-CE1 3.53Å; F132-F261 HydrophobicContact CD2-CE1 3.53Å; F132-F261 AromaticContact CD2-CE2 3.68Å; F132-F261 HydrophobicContact CD2-CE2 3.68Å; F132-F261 AromaticContact CD2-CZ 3.17Å; F132-F261 HydrophobicContact CD2-CZ 3.17Å; F132-F261 AromaticContact CE1-CD1 3.56Å; F132-F261 HydrophobicContact CE1-CD1 3.56Å; F132-F261 AromaticContact CE1-CE1 3.63Å; F132-F261 HydrophobicContact CE1-CE1 3.63Å; F132-F261 HydrophobicContact CE1-CG 4.11Å; F132-F261 HydrophobicContact CE1-CZ 4.25Å; F132-F261 AromaticContact CE2-CD1 3.7Å; F132-F261 HydrophobicContact CE2-CD1 3.7Å; F132-F261 AromaticContact CE2-CD2 3.52Å; F132-F261 HydrophobicContact CE2-CD2 3.52Å; F132-F261 AromaticContact CE2-CE1 3.44Å; F132-F261 HydrophobicContact CE2-CE1 3.44Å; F132-F261 VanDerWaalsContact CE2-CE1 3.44Å; F132-F261 AromaticContact CE2-CE2 3.25Å; F132-F261 HydrophobicContact CE2-CE2 3.25Å; F132-F261 AromaticContact CE2-CG 3.69Å; F132-F261 HydrophobicContact CE2-CG 3.69Å; F132-F261 AromaticContact CE2-CZ 3.17Å; F132-F261 HydrophobicContact CE2-CZ 3.17Å; F132-F261 HydrophobicContact CG-CD1 4.36Å; F132-F261 AromaticContact CG-CE1 3.58Å; F132-F261 HydrophobicContact CG-CE1 3.58Å; F132-F261 AromaticContact CG-CZ 3.66Å; F132-F261 HydrophobicContact CG-CZ 3.66Å; F132-F261 HydrophobicContact CZ-CB 4.03Å; F132-F261 AromaticContact CZ-CD1 3.29Å; F132-F261 HydrophobicContact CZ-CD1 3.29Å; F132-F261 AromaticContact CZ-CD2 3.73Å; F132-F261 HydrophobicContact CZ-CD2 3.73Å; F132-F261 AromaticContact CZ-CE1 3.46Å; F132-F261 HydrophobicContact CZ-CE1 3.46Å; F132-F261 VanDerWaalsContact CZ-CE1 3.46Å; F132-F261 AromaticContact CZ-CE2 3.88Å; F132-F261 HydrophobicContact CZ-CE2 3.88Å; F132-F261 AromaticContact CZ-CG 3.38Å; F132-F261 HydrophobicContact CZ-CG 3.38Å; F132-F261 AromaticContact CZ-CZ 3.73Å; F132-F261 HydrophobicContact CZ-CZ 3.73Å; S158-F261 VanDerWaalsContact OG-CZ 3.25Å; S158-F261 WeakPolarHBondContact OG-CZ 3.35Å; N161-F261 WeakPolarHBondContact O-CA 3.33Å; V162-F261 HydrophobicContact CG2-CD2 3.53Å; V162-F261 HydrophobicContact CG2-CE2 4.1Å; F261-K267 WeakPolarHBondContact O-CA 3.39Å; F261-L268 HydrophobicContact CB-CB 4.22Å; F261-L268 PolarHBondContact N-O 3.01Å; F261-L268 PolarHBondContact O-N 3.33Å
262L86.9Confident85.8Confident76 Ų7649.7 Ų49.740%0.39824%0.243SC..EExtended strand (participates in β ladder)trans-127.6113.9178-177.859.5000109.2G160 N161 K267G160-L262 CarbonylContact C-O 3.52Å; G160-L262 WeakPolarHBondContact CA-O 3.38Å; N161-L262 PolarHBondContact N-O 3.22Å; N161-L262 PolarHBondContact O-N 3.04Å; L262-K267 HydrophobicContact CD1-CD 3.79Å; L262-K267 HydrophobicContact CD1-CG 3.7Å
263S84.6Confident87Confident22 Ų2249.4 Ų49.415%0.15425%0.245CC..EExtended strand (participates in β ladder)trans-124.2178.6170.6-177.50000109.7L159 Y266L159-S263 VanDerWaalsContact O-CB 3.31Å; L159-S263 WeakPolarHBondContact O-CB 3.42Å; L159-S263 PolarHBondContact O-OG 3.4Å; S263-Y266 PolarHBondContact N-O 2.97Å
264I82.1Confident87.8Confident146 Ų14643.8 Ų43.875%0.74923%0.226SC*.SBendtrans-66.7-43.8177.2-58.2169.4000109.9
265D82.7Confident87.9Confident85 Ų8543.7 Ų43.746%0.45522%0.224SC..SBendtrans-97.9-16.9-172.6-65-24.5000113.3K131K131-D265 WeakPolarHBondContact CD-OD2 3.48Å; K131-D265 IonicContact NZ-OD2 3.71Å; K131-D265 PolarHBondContact NZ-OD2 2.91Å
266Y81.8Confident87.2Confident84 Ų8449.7 Ų49.733%0.32925%0.248SC..  trans-142.6140.3-170.9-66.3-77.6000111.7T129 K131 F132 S263T129-Y266 HydrophobicContact CG2-CD1 4.19Å; T129-Y266 HydrophobicContact CG2-CE1 3.97Å; T129-Y266 VanDerWaalsContact OG1-CE2 3.32Å; T129-Y266 WeakPolarHBondContact OG1-CE2 3.35Å; K131-Y266 HydrophobicContact CB-CE2 4.36Å; F132-Y266 HydrophobicContact CB-CD2 4.31Å; S263-Y266 PolarHBondContact N-O 2.97Å
267K88.8Confident86Confident125 Ų12554.8 Ų54.854%0.54328%0.275SS..EExtended strand (participates in β ladder)trans-127.3138.4170.2-53.6-171.2-178.7176.60108.7F175 F261 L262F175-K267 HydrophobicContact CD1-CB 3.94Å; F175-K267 HydrophobicContact CE1-CB 3.63Å; F261-K267 WeakPolarHBondContact O-CA 3.39Å; L262-K267 HydrophobicContact CD1-CD 3.79Å; L262-K267 HydrophobicContact CD1-CG 3.7Å
268L87.5Confident84.4Confident40 Ų4062.6 Ų62.621%0.20931%0.309CS..EExtended strand (participates in β ladder)trans-144132.8178.8172.778000108.7F125 V127 S260 F261F125-L268 HydrophobicContact CE1-CD2 3.98Å; F125-L268 HydrophobicContact CZ-CD2 3.9Å; V127-L268 HydrophobicContact CB-CD2 4.38Å; V127-L268 HydrophobicContact CG2-CD2 3.85Å; S260-L268 CarbonylContact C-O 3.49Å; S260-L268 WeakPolarHBondContact CA-O 3.49Å; F261-L268 HydrophobicContact CB-CB 4.22Å; F261-L268 PolarHBondContact N-O 3.01Å; F261-L268 PolarHBondContact O-N 3.33Å
269V91.4Very high82.6Confident22 Ų2267.1 Ų67.113%0.13333%0.331CS..EExtended strand (participates in β ladder)trans-135.4126169.1-175.80000107.7V173 F175 F258 I259V173-V269 HydrophobicContact CG1-CB 4.23Å; V173-V269 HydrophobicContact CG1-CG1 3.74Å; F175-V269 HydrophobicContact CD1-CB 4.43Å; F175-V269 HydrophobicContact CD1-CG2 3.47Å; F175-V269 VanDerWaalsContact CD1-CG2 3.47Å; F175-V269 HydrophobicContact CE1-CB 4.27Å; F175-V269 HydrophobicContact CE1-CG2 3.67Å; F175-V269 HydrophobicContact CG-CG2 4.08Å; F175-V269 HydrophobicContact CZ-CG2 4.42Å; F258-V269 HydrophobicContact CD2-CG1 4.49Å; F258-V269 HydrophobicContact CE1-CG1 4.02Å; F258-V269 HydrophobicContact CE2-CG1 3.51Å; F258-V269 HydrophobicContact CZ-CG1 3.22Å; I259-V269 CarbonylContact O-C 3.54Å; I259-V269 WeakPolarHBondContact O-CA 3.28Å
270Q91.4Very high80.7Confident79 Ų7969 Ų6937%0.36934%0.344SS..EExtended strand (participates in β ladder)trans-136.8126-179.5-176.16665.300109.9F125 F258 I259 V272F125-Q270 HydrophobicContact CE2-CB 4.47Å; F125-Q270 HydrophobicContact CE2-CG 4.16Å; F125-Q270 HydrophobicContact CZ-CB 4.39Å; F258-Q270 WeakPolarHBondContact CA-O 3.07Å; I259-Q270 PolarHBondContact N-O 2.98Å; I259-Q270 PolarHBondContact O-N 3.43Å; Q270-V272 HydrophobicContact CG-CG2 3.79Å
271K91.9Very high78.6Confident51 Ų5177 Ų7722%0.22238%0.378CS..EExtended strand (participates in β ladder)trans-103.9130.1165.3-174.7179.268.7175.10109V167 P169 K171 V173 C256 I257 F258V167-K271 HydrophobicContact CG2-CD 4.33Å; V167-K271 HydrophobicContact CG2-CG 4.42Å; P169-K271 PolarHBondContact O-NZ 3.37Å; K171-K271 WeakPolarHBondContact O-CD 3.37Å; K171-K271 WeakPolarHBondContact O-CE 3.42Å; K171-K271 PolarHBondContact O-NZ 3.43Å; V173-K271 HydrophobicContact CG2-CB 3.45Å; V173-K271 VanDerWaalsContact CG2-CB 3.45Å; V173-K271 HydrophobicContact CG2-CD 4.31Å; V173-K271 HydrophobicContact CG2-CG 4.49Å; C256-K271 HydrophobicContact CB-CD 4.12Å; C256-K271 HydrophobicContact CB-CG 3.77Å; I257-K271 CarbonylContact O-C 3.54Å; I257-K271 WeakPolarHBondContact O-CA 3.05Å; F258-K271 HydrophobicContact CD2-CB 4.2Å
272V90.1Very high76.4Confident43 Ų4386.5 Ų86.526%0.26141%0.414SS..EExtended strand (participates in β ladder)trans-123.2126.2175.7-174.30000108.4F123 C256 I257 Q270 P274F123-V272 HydrophobicContact CE2-CB 4.25Å; F123-V272 HydrophobicContact CE2-CG1 4.14Å; F123-V272 HydrophobicContact CE2-CG2 4.28Å; F123-V272 HydrophobicContact CZ-CG2 4.49Å; C256-V272 CarbonylContact C-O 3.5Å; C256-V272 WeakPolarHBondContact CA-O 3.34Å; C256-V272 WeakPolarHBondContact CB-O 3.48Å; I257-V272 PolarHBondContact N-O 3Å; I257-V272 PolarHBondContact O-N 3.45Å; Q270-V272 HydrophobicContact CG-CG2 3.79Å; V272-P274 HydrophobicContact CG1-CG 4.36Å; V272-P274 WeakPolarHBondContact O-CD 3.43Å
273C90Very high74.4Confident30 Ų3086.3 Ų86.320%0.20342%0.417CS..  trans-120.486.8-179.8-56.10000109.3C256 D275 Y276C256-C273 HydrophobicContact CB-CB 4.08Å; C256-C273 WeakPolarHBondContact CB-SG 3.45Å; C256-C273 WeakPolarHBondContact SG-CB 3.29Å; C256-C273 CovalentContact SG-SG 2.03Å; C256-C273 PolarHBondContact SG-SG 3.06Å; C273-D275 VanDerWaalsContact C-N 3.25Å; C273-D275 PolarHBondContact O-N 3.38Å; C273-Y276 HydrophobicContact CB-CD2 4.31Å; C273-Y276 HydrophobicContact CB-CG 4.37Å; C273-Y276 WeakPolarHBondContact O-CB 3.38Å; C273-Y276 PolarHBondContact O-N 3.11Å
274P82.8Confident72.3Confident47 Ų4795.6 Ų95.631%0.30545%0.45SS..THydrogen-bonded Turntrans-61.3-30.3-168-26.236.3000114.6W120 V272W120-P274 HydrophobicContact CB-CB 3.82Å; W120-P274 HydrophobicContact CD2-CB 3.64Å; W120-P274 HydrophobicContact CD2-CG 3.61Å; W120-P274 HydrophobicContact CE3-CB 4.29Å; W120-P274 HydrophobicContact CE3-CG 3.82Å; W120-P274 HydrophobicContact CG-CB 3.4Å; W120-P274 VanDerWaalsContact CG-CB 3.4Å; W120-P274 HydrophobicContact CG-CG 3.96Å; W120-P274 HydrophobicContact CH2-CG 4.42Å; W120-P274 HydrophobicContact CZ2-CG 4.24Å; W120-P274 HydrophobicContact CZ3-CG 4.23Å; V272-P274 HydrophobicContact CG1-CG 4.36Å; V272-P274 WeakPolarHBondContact O-CD 3.43Å
275D78.6Confident70.3Confident9 Ų997.9 Ų97.95%0.04846%0.455CS..THydrogen-bonded Turntrans-105.915.4-178.3-69.2-35.6000113.6G119 W120 C273 N277 F278G119-D275 WeakPolarHBondContact CA-OD1 3.04Å; G119-D275 PolarHBondContact N-OD1 2.84Å; W120-D275 PolarHBondContact NE1-OD2 2.87Å; C273-D275 VanDerWaalsContact C-N 3.25Å; C273-D275 PolarHBondContact O-N 3.38Å; D275-N277 VanDerWaalsContact C-N 3.31Å; D275-N277 PolarHBondContact O-N 3.44Å; D275-F278 HydrophobicContact CB-CD2 3.89Å; D275-F278 PolarHBondContact O-N 3.01Å; D275-F278 WeakPolarHBondContact OD1-CE2 3.36Å
276Y73.1Confident68.1Low128 Ų128101 Ų10150%0.50251%0.508SS..G310 helixtrans-59.4-40.5-176-169.4-98.2000112.9P169 C273 F278 Q279P169-Y276 HydrophobicContact CB-CD2 4.34Å; P169-Y276 HydrophobicContact CB-CE2 4.2Å; C273-Y276 HydrophobicContact CB-CD2 4.31Å; C273-Y276 HydrophobicContact CB-CG 4.37Å; C273-Y276 WeakPolarHBondContact O-CB 3.38Å; C273-Y276 PolarHBondContact O-N 3.11Å; Y276-F278 PolarHBondContact O-N 3.41Å; Y276-Q279 PolarHBondContact O-N 3.24Å
277N63.9Low67.4Low107 Ų107101.9 Ų101.957%0.57252%0.517SS*.G310 helixtrans-69.2-12.5-178.8-70.2-24000114.4D275 Q279D275-N277 VanDerWaalsContact C-N 3.31Å; D275-N277 PolarHBondContact O-N 3.44Å; N277-Q279 PolarHBondContact O-N 2.71Å
278F58.9Low66.3Low163 Ų163100.6 Ų100.672%0.71552%0.515SS*.G310 helixtrans-75.9-7174.8-71.3-77.9000113.2D275 Y276D275-F278 HydrophobicContact CB-CD2 3.89Å; D275-F278 PolarHBondContact O-N 3.01Å; D275-F278 WeakPolarHBondContact OD1-CE2 3.36Å; Y276-F278 PolarHBondContact O-N 3.41Å
279Q56.7Low65.1Low118 Ų118104 Ų10455%0.55153%0.532SS*.THydrogen-bonded Turntrans-109.6-21.3176.9-70.5-167.6-2800114.1V254 Y276 N277 E281V254-Q279 VanDerWaalsContact CG2-CD 3.47Å; V254-Q279 HydrophobicContact CG2-CG 3.84Å; Y276-Q279 PolarHBondContact O-N 3.24Å; N277-Q279 PolarHBondContact O-N 2.71Å; Q279-E281 PolarHBondContact O-N 3.32Å
280S52Low63.6Low39 Ų39108.8 Ų108.827%0.27356%0.556SS.*  trans-79.9111.6175.2650000109.3R282S280-R282 WeakPolarHBondContact CB-O 3.34Å; S280-R282 CarbonylContact O-C 3.59Å; S280-R282 PolarHBondContact O-N 3.45Å; S280-R282 PolarHBondContact OG-O 3.48Å
281E47.3Very low61.8Low200 Ų200110.7 Ų110.794%0.93557%0.567SS**SBendtrans-59.75.9168.5-72.4-177.315800113.5Q279Q279-E281 PolarHBondContact O-N 3.32Å
282R41.8Very low59.8Low202 Ų202114.7 Ų114.776%0.76259%0.59SS**SBendtrans-137.1102.8167.1-61.5-175.5-174.5178.41.5108.4S280 Y284S280-R282 WeakPolarHBondContact CB-O 3.34Å; S280-R282 CarbonylContact O-C 3.59Å; S280-R282 PolarHBondContact O-N 3.45Å; S280-R282 PolarHBondContact OG-O 3.48Å; R282-Y284 PolarHBondContact O-N 3.3Å
283P44.4Very low57.6Low73 Ų73119.8 Ų119.847%0.47461%0.614SS.*  trans-66.5119.6165.625.8-29.5000107.5F285P283-F285 HydrophobicContact CG-CD2 4.36Å; P283-F285 HydrophobicContact CG-CE2 3.96Å; P283-F285 PolarHBondContact O-N 3.49Å
284Y41Very low55.2Low216 Ų216126.7 Ų126.785%0.84765%0.646SS**  trans-66106.9164.8-74.5-84.9000107R282R282-Y284 PolarHBondContact O-N 3.3Å
285F40.3Very low52.9Low194 Ų194133.3 Ų133.385%0.85167%0.674SS**  trans-78.6118.3164.3-81.1-87.4000107.7P283P283-F285 HydrophobicContact CG-CD2 4.36Å; P283-F285 HydrophobicContact CG-CE2 3.96Å; P283-F285 PolarHBondContact O-N 3.49Å
286G36.3Very low50.5Low151 Ų151144.6 Ų144.6100%1.55773%0.731SS**  trans86.60162.800000114.7

Retrieved 286 of 286 residues in 405.3 ms (Link to these results)