A0A061I0G4_CRIGR Loading...

5'-AMP-activated protein kinase subunit beta-1

Non-catalytic subunit of AMP-activated protein kinase (AMPK), an energy sensor protein kinase that plays a key role in regulating cellular energy metabolism. In response to reduction of intracellular ATP levels, AMPK activates energy-producing pathways and inhibits energy-consuming processes: inhibits protein, carbohydrate and lipid biosynthesis, as well as cell growth and proliferation. AMPK acts via direct phosphorylation of metabolic enzymes, and by longer-term effects via phosphorylation of transcription regulators. Also acts as a regulator of cellular polarity by remodeling the actin cytoskeleton; probably by indirectly activating myosin. Beta non-catalytic subunit acts as a scaffold on which the AMPK complex assembles, via its C-terminus that bridges alpha (PRKAA1 or PRKAA2) and gamma subunits (PRKAG1, PRKAG2 or PRKAG3).

AlphaFold DB (A0A1U7QTV5), UniProt , Accession A0A061I0G4, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Prkab1, Length 270 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
1M38.2Very low34.1Very low255 Ų255137.6 Ų137.6100%1.25681%0.808SS**  0125.90-41.8175.6-157.800105.4
2G35.4Very low33.6Very low74 Ų74137.2 Ų137.276%0.76379%0.792SS**  cis165118.66.900000106.8
3N30.3Very low33.3Very low150 Ų150141.7 Ų141.780%0.80279%0.788SS**  trans-19.8157.3153.6-78.321.4000116
4T39.3Very low33Very low111 Ų111144.6 Ų144.668%0.68179%0.793SS**  cis-178164.426.82.60000112.9
5S38.7Very low32.6Very low107 Ų107140.4 Ų140.475%0.74880%0.796SS**  trans66.3162.9138.9-65.50000121
6S35.4Very low32.3Very low89 Ų89135.8 Ų135.862%0.62279%0.789SS**  cis-147.9142.85.3-121.80000110.7
7E34.3Very low32.2Very low136 Ų136138.5 Ų138.564%0.63679%0.792SS**  66.5113.3101.6-71.2-159.6109.300117.7
8R32.8Very low32.1Very low225 Ų225140.8 Ų140.885%0.84979%0.791SS**  80.9124.497-84-170.7165.1129.6-10.5116.5
9A30.3Very low32.1Very low107 Ų107140.3 Ų140.388%0.88479%0.792SS**  trans-159.4149.413200000109.9
10A32Very low32.2Very low94 Ų94137.4 Ų137.478%0.77779%0.786SS**  trans-141.8153.9176.500000109.9
11L28.5Very low32.1Very low166 Ų166141.5 Ų141.587%0.86979%0.789SS**  trans156.3160.8161-86.6149.2000107.8
12E27.8Very low31.7Very low132 Ų132141.2 Ų141.262%0.61777%0.774SS**  cis-172.7161.7-46.4-166.7-167.1-144.300106.6
13R30.4Very low31.4Very low196 Ų196143.3 Ų143.374%0.7477%0.768SS**  trans76.9154.1164.2-48.9-174.8-169.9-166.6-0.9116.5
14Q28.7Very low31.5Very low183 Ų183141.6 Ų141.686%0.85577%0.768SS**  cis-160.1162.6-5.7-128.4169.3-24.300110.4
15G27.7Very low31.2Very low81 Ų81141.7 Ų141.784%0.83577%0.773SS**  trans130134.6154.900000116.2
16G26.8Very low30.7Very low67 Ų67140.8 Ų140.869%0.69178%0.78SS**  trans-171170.917500000114.1
17H30.3Very low30.4Very low181 Ų181140.5 Ų140.584%0.83879%0.792SS**  trans-162.5130.5167.8-97.2-85.2000106.8
18K31.6Very low30.3Very low180 Ų180138.7 Ų138.778%0.78380%0.8SS**  55.3131.574.5-73.4-169.9178.8-178.90112.5
19T32.2Very low30.5Very low131 Ų131136.5 Ų136.580%0.80480%0.796SS**  cis-172.6168.111.616.30000108.3
20A33.2Very low30.6Very low82 Ų82138.1 Ų138.168%0.67879%0.79SS**  cis-173.4161.3-11.200000112.2
21R29.4Very low30.7Very low224 Ų224137 Ų13785%0.84579%0.788SS**  trans42.9137.2147-67.5-179.6178.8171.1-3.1123.1
22R29.8Very low30.9Very low249 Ų249137.3 Ų137.394%0.9479%0.791SS**  -152.5145.8111.5-160.4169.2-177.9-174.3-0.8112.4
23D29.9Very low31.2Very low119 Ų119141.7 Ų141.764%0.63680%0.801SS**  trans-93.7174.5-170.7-54.4-81.1000115.5
24S33.1Very low31.9Very low114 Ų114137.4 Ų137.480%0.79780%0.799SS**  trans116.4141.6139.4-62.90000117.6
25S31.4Very low32.2Very low113 Ų113138.8 Ų138.879%0.7980%0.802SS**  cis-178.3143.9-19.350.40000111.3
26G29.5Very low32.9Very low87 Ų87142.6 Ų142.690%0.89780%0.802SS**  trans81.6152.6162.800000115.9
27G29.7Very low33.5Very low84 Ų84147.9 Ų147.987%0.86681%0.813SS**  cis-174.8148.6-3.800000109.4
28A32.1Very low34Very low97 Ų97146.7 Ų146.780%0.80281%0.81SS**  trans-105155.6-167.200000114.1
29K35.6Very low34.1Very low180 Ų180144.8 Ų144.878%0.78381%0.808SS**  168.7154.5113.1-94.6-176.1165.3-139.90115
30D33.1Very low34.3Very low140 Ų140143.9 Ų143.975%0.74981%0.807SS**  trans29.5140.3144.5-48-36.8000119.9
31G34Very low35.1Very low72 Ų72145.8 Ų145.874%0.74281%0.813SS**  cis161.8168.22.800000111.4
32D32Very low35.8Very low172 Ų172143.2 Ų143.292%0.9281%0.811SS**  trans78.7147.5165.9-139.414.1000121.4
33R35.3Very low36.2Very low223 Ų223139.2 Ų139.284%0.84281%0.808SS**  trans-140.6168-179.8-93.3-173.2177.2-169.30.2107.3
34P44.5Very low36.6Very low106 Ų106138.1 Ų138.169%0.68882%0.816SS**  cis-127.9178-17.638.3-23000112.3
35K35.7Very low37.1Very low212 Ų212139.4 Ų139.492%0.92281%0.813SS**  trans-134.8128.4148.7-78.8-169.7178.1177.40110.4
36I41.7Very low37.6Very low161 Ų161141.1 Ų141.183%0.82681%0.812SS**  trans-88.2124.7171.1-62.1165000106.9
37L38.3Very low37.8Very low178 Ų178146.1 Ų146.193%0.93281%0.81SS**  trans-139.6148.1153.9-152.675.4000108.3
38M41Very low38.1Very low156 Ų156150.4 Ų150.477%0.76881%0.807SS**  trans-106.3167.5-164.7-174.8165.6146.900110.7
39D34.2Very low38.4Very low140 Ų140150.5 Ų150.575%0.74980%0.802SS**  trans68.1105173.9-62.3-22.4000118.5
40S36.1Very low38.3Very low112 Ų112150.8 Ų150.878%0.78381%0.805SS**  -159.2135.6111.1-145.40000110.5
41P50.2Low38.6Very low123 Ų123152.8 Ų152.880%0.79981%0.81SS**  trans-102.349.7-171.740.6-36.2000113.7
42E44Very low39Very low170 Ų170157 Ų15779%0.79481%0.814SS**  trans-145.292.3-178.2-96.2163.1-148.200110.4
43D38.2Very low39.3Very low164 Ų164157.8 Ų157.888%0.87781%0.809SS**  trans178.583.5155.8-99.9-22.4000109
44A39.5Very low39.5Very low97 Ų97149.7 Ų149.780%0.80279%0.79SS**  trans-116.425.2-176.500000113.7
45D43.3Very low39.5Very low140 Ų140148.5 Ų148.575%0.74978%0.782SS**  trans-13458.7-174.1-80-54.5000113.1
46I40.8Very low40.2Very low149 Ų149145.5 Ų145.576%0.76477%0.772SS**  trans-1264.3174.5-83-176.5000114.3
47F33.8Very low40.6Very low193 Ų193146.2 Ų146.285%0.84677%0.769SS**  trans-11674.4171.3-72.5-78.3000112.2S49F47-S49 PolarHBondContact O-N 3.08Å
48H37.3Very low41.2Very low174 Ų174145.2 Ų145.281%0.80676%0.759SS**  trans-68.686.1156.3-71.2-37.5000109.2E50H48-E50 PolarHBondContact O-N 2.87Å
49S37.3Very low41.6Very low99 Ų99143.9 Ų143.969%0.69275%0.751SS**  trans-65.2115.8160.4-60.30000107.9F47 E51F47-S49 PolarHBondContact O-N 3.08Å; S49-E51 PolarHBondContact O-N 2.79Å; S49-E51 VanDerWaalsContact O-N 3.09Å
50E34.9Very low42Very low185 Ų185144.5 Ų144.586%0.86475%0.748SS**  trans-60.6113.9164.6-71.7-176133.900107.9H48 I52H48-E50 PolarHBondContact O-N 2.87Å; E50-I52 VanDerWaalsContact C-N 3.33Å; E50-I52 PolarHBondContact O-N 2.99Å
51E37.5Very low42.6Very low182 Ų182143.9 Ų143.985%0.8574%0.735SS**  trans-65.193.1174.7-75.9-169.4133.200109.6S49 K53S49-E51 PolarHBondContact O-N 2.79Å; S49-E51 VanDerWaalsContact O-N 3.09Å; E51-K53 PolarHBondContact O-N 2.87Å
52I43.8Very low42.5Very low160 Ų160140.3 Ų140.382%0.82172%0.716SS**  trans-69.183.2158.4-56177.9000106.5E50 A54E50-I52 VanDerWaalsContact C-N 3.33Å; E50-I52 PolarHBondContact O-N 2.99Å; I52-A54 VanDerWaalsContact C-N 3.34Å; I52-A54 PolarHBondContact O-N 3.01Å
53K37.2Very low42.8Very low189 Ų189141.7 Ų141.782%0.82271%0.714SS**  trans-67.691.5177.9-173178.5-177.1179.10109E51E51-K53 PolarHBondContact O-N 2.87Å
54A40.6Very low43.3Very low54 Ų54138.9 Ų138.945%0.44670%0.696SS.*  trans-60.7132.9179.600000110.6I52 E56I52-A54 VanDerWaalsContact C-N 3.34Å; I52-A54 PolarHBondContact O-N 3.01Å; A54-E56 HydrophobicContact CB-CG 3.85Å; A54-E56 PolarHBondContact O-N 2.88Å
55P43.3Very low43.4Very low80 Ų80140.9 Ų140.952%0.51969%0.688SS.*  trans-78.735.4-179.734.3-36.5000112.7K57 E58 E59P55-K57 PolarHBondContact O-N 2.86Å; P55-K57 VanDerWaalsContact O-N 3.11Å; P55-E58 PolarHBondContact O-N 3.05Å; P55-E59 PolarHBondContact O-N 3.26Å
56E52Low43.4Very low149 Ų149140.5 Ų140.570%0.69669%0.686SS**Hα-helixtrans-61.3-27.3-171.7-70.1-178.5165.200113.1A54 F60A54-E56 HydrophobicContact CB-CG 3.85Å; A54-E56 PolarHBondContact O-N 2.88Å; E56-F60 WeakPolarHBondContact O-CB 3.4Å; E56-F60 PolarHBondContact O-N 2.85Å; E56-F60 VanDerWaalsContact O-N 3.13Å
57K50.1Low43.9Very low177 Ų177140.1 Ų140.177%0.7769%0.685SS**Hα-helixtrans-79.5-31.8-179.2-119.9-178-177.9-178.10114.1P55 L61P55-K57 PolarHBondContact O-N 2.86Å; P55-K57 VanDerWaalsContact O-N 3.11Å; K57-L61 WeakPolarHBondContact O-CB 3.39Å; K57-L61 WeakPolarHBondContact O-CD1 3.24Å; K57-L61 WeakPolarHBondContact O-CG 3.47Å; K57-L61 PolarHBondContact O-N 2.84Å
58E49.2Very low44.5Very low156 Ų156138.1 Ų138.173%0.72968%0.678SS**Hα-helixtrans-81.5-38.8179.1-75.1177.2152.600111P55 L61 A62P55-E58 PolarHBondContact O-N 3.05Å; E58-L61 PolarHBondContact O-N 3.5Å; E58-A62 WeakPolarHBondContact O-CB 3.27Å; E58-A62 PolarHBondContact O-N 2.88Å
59E49.9Very low45Very low129 Ų129134.6 Ų134.660%0.60367%0.669SS**Hα-helixtrans-64.4-44.4170.9-73-169.3143.700111.8P55 L61 A62 W63P55-E59 PolarHBondContact O-N 3.26Å; E59-L61 VanDerWaalsContact C-N 3.26Å; E59-L61 PolarHBondContact O-N 2.78Å; E59-A62 WeakPolarHBondContact O-CB 3.41Å; E59-A62 PolarHBondContact O-N 2.92Å; E59-A62 VanDerWaalsContact O-N 3.09Å; E59-W63 PolarHBondContact O-N 3.44Å
60F43.2Very low45.2Very low153 Ų153135.2 Ų135.267%0.67166%0.664SS**Hα-helixtrans-63.9-31.5179.3-164.6-88.5000112.9E56E56-F60 WeakPolarHBondContact O-CB 3.4Å; E56-F60 PolarHBondContact O-N 2.85Å; E56-F60 VanDerWaalsContact O-N 3.13Å
61L47.4Very low45.9Very low98 Ų98133.9 Ų133.951%0.51366%0.663SS.*Hα-helixtrans-77.8-31.4172.2-72.4170.5000112.8K57 E58 E59 Q64 H65K57-L61 WeakPolarHBondContact O-CB 3.39Å; K57-L61 WeakPolarHBondContact O-CD1 3.24Å; K57-L61 WeakPolarHBondContact O-CG 3.47Å; K57-L61 PolarHBondContact O-N 2.84Å; E58-L61 PolarHBondContact O-N 3.5Å; E59-L61 VanDerWaalsContact C-N 3.26Å; E59-L61 PolarHBondContact O-N 2.78Å; L61-Q64 PolarHBondContact O-N 2.92Å; L61-Q64 VanDerWaalsContact O-N 3.16Å; L61-H65 WeakPolarHBondContact O-CB 3.48Å; L61-H65 PolarHBondContact O-N 3.33Å
62A49.5Very low46.2Very low48 Ų48133.9 Ų133.940%0.39766%0.66SS.*Hα-helixtrans-61.5-44.2176.200000111.7E58 E59 Q64 H65 D66E58-A62 WeakPolarHBondContact O-CB 3.27Å; E58-A62 PolarHBondContact O-N 2.88Å; E59-A62 WeakPolarHBondContact O-CB 3.41Å; E59-A62 PolarHBondContact O-N 2.92Å; E59-A62 VanDerWaalsContact O-N 3.09Å; A62-Q64 VanDerWaalsContact C-N 3.29Å; A62-Q64 PolarHBondContact O-N 2.98Å; A62-H65 PolarHBondContact O-N 3.45Å; A62-H65 VanDerWaalsContact O-N 3.14Å; A62-D66 PolarHBondContact O-N 2.83Å
63W49.7Very low46.4Very low200 Ų200128.6 Ų128.676%0.75864%0.64SS**Hα-helixtrans-64.8-28.8174.4-75.682000113.3E59 L67E59-W63 PolarHBondContact O-N 3.44Å; W63-L67 WeakPolarHBondContact O-CG 3.35Å
64Q48.1Very low47.2Very low105 Ų105125.1 Ų125.149%0.49164%0.637SS.*Hα-helixtrans-72.9-39.4171-72.9-170-52.500111.8L61 A62 D66 L67 E68L61-Q64 PolarHBondContact O-N 2.92Å; L61-Q64 VanDerWaalsContact O-N 3.16Å; A62-Q64 VanDerWaalsContact C-N 3.29Å; A62-Q64 PolarHBondContact O-N 2.98Å; Q64-D66 VanDerWaalsContact C-N 3.3Å; Q64-D66 PolarHBondContact O-N 2.73Å; Q64-L67 PolarHBondContact O-N 3.02Å; Q64-E68 PolarHBondContact O-N 2.92Å
65H42.3Very low48.3Very low138 Ų138126.3 Ų126.364%0.63965%0.647SS**Hα-helixtrans-70.3-25.1179.7-158.1-50.6000112.9L61 A62L61-H65 WeakPolarHBondContact O-CB 3.48Å; L61-H65 PolarHBondContact O-N 3.33Å; A62-H65 PolarHBondContact O-N 3.45Å; A62-H65 VanDerWaalsContact O-N 3.14Å
66D44Very low49.9Very low132 Ų132128.4 Ų128.471%0.70665%0.65SS**THydrogen-bonded Turntrans-76.4-20.3169.6-76.6-17.9000113A62 Q64A62-D66 PolarHBondContact O-N 2.83Å; Q64-D66 VanDerWaalsContact C-N 3.3Å; Q64-D66 PolarHBondContact O-N 2.73Å
67L49.9Very low51.6Low142 Ų142123.7 Ų123.774%0.74364%0.636SS**THydrogen-bonded Turntrans-89.3-22.3173.8-71.3170.6000113.1W63 Q64 V69W63-L67 WeakPolarHBondContact O-CG 3.35Å; Q64-L67 PolarHBondContact O-N 3.02Å; L67-V69 PolarHBondContact O-N 2.84Å
68E46.4Very low53.4Low150 Ų150117.2 Ų117.270%0.70161%0.607SS**SBendtrans-73.868.6167.5-71.4-170.9178.700110.6Q64 N70Q64-E68 PolarHBondContact O-N 2.92Å; E68-N70 VanDerWaalsContact C-N 3.32Å; E68-N70 PolarHBondContact O-N 3.02Å
69V47.6Very low55.6Low101 Ų101113.4 Ų113.461%0.61260%0.596SS**  trans-59.197.3167.4179.70000108.2L67 D71L67-V69 PolarHBondContact O-N 2.84Å; V69-D71 PolarHBondContact O-N 2.8Å; V69-D71 VanDerWaalsContact O-N 3.16Å
70N42.5Very low57.9Low112 Ų112107.8 Ų107.860%0.59957%0.57SS**  trans-10.5106.3165.4172.635.5000113.2E68 K72 A73E68-N70 VanDerWaalsContact C-N 3.32Å; E68-N70 PolarHBondContact O-N 3.02Å; N70-K72 PolarHBondContact O-N 2.87Å; N70-K72 PolarHBondContact OD1-N 2.68Å; N70-A73 PolarHBondContact O-N 3.44Å
71D48.8Very low60.4Low157 Ų157104.6 Ų104.684%0.8456%0.563SS**THydrogen-bonded Turntrans-63.421178.9-97.6-39.2000114.3V69V69-D71 PolarHBondContact O-N 2.8Å; V69-D71 VanDerWaalsContact O-N 3.16Å
72K44.1Very low62.8Low181 Ų181100 Ų10079%0.78754%0.539SS*.THydrogen-bonded Turntrans-126.223.5169.5-63.9-167.2175.6-176.10113.1N70N70-K72 PolarHBondContact O-N 2.87Å; N70-K72 PolarHBondContact OD1-N 2.68Å
73A48.8Very low65.1Low49 Ų49104.3 Ų104.341%0.40555%0.545SS..SBendtrans-59.8135.915500000109N70 A75N70-A73 PolarHBondContact O-N 3.44Å; A73-A75 PolarHBondContact O-N 3.34Å
74P54.2Low67.3Low116 Ų11695.9 Ų95.975%0.75351%0.513SS*.  trans-57.5139.216727.4-33.7000108Q76P74-Q76 WeakPolarHBondContact O-CA 3.41Å; P74-Q76 PolarHBondContact O-N 3.44Å
75A63.8Low69.6Low79 Ų7994.3 Ų94.365%0.65351%0.511SS*.  trans-42.9102.1-172.800000111A73 A77 P119A73-A75 PolarHBondContact O-N 3.34Å; A75-A77 PolarHBondContact O-N 2.89Å; A75-P119 HydrophobicContact CB-CB 3.97Å
76Q77.4Confident71.9Confident124 Ų12489 Ų8958%0.57949%0.493SS*.  trans-67.6116.1-162-173.2173.72.700107.8P74 R78P74-Q76 WeakPolarHBondContact O-CA 3.41Å; P74-Q76 PolarHBondContact O-N 3.44Å; Q76-R78 WeakPolarHBondContact O-CG 3.46Å
77A86.2Confident74.2Confident50 Ų5085.7 Ų85.741%0.41349%0.491SS..  trans-70133.6178.200000108.9A75 D117 L118A75-A77 PolarHBondContact O-N 2.89Å; A77-D117 HydrophobicContact CB-CB 3.72Å; A77-L118 WeakPolarHBondContact CA-O 3.23Å
78R88.9Confident76.2Confident41 Ų4179.9 Ų79.916%0.15547%0.465CS..EExtended strand (participates in β ladder)trans-128.9143.1-170.7-44.4-172.1180-150.62.6111.5Q76 T80 D117 L118 E120 K157 F160Q76-R78 WeakPolarHBondContact O-CG 3.46Å; R78-T80 PolarHBondContact O-N 3.34Å; R78-T80 PolarHBondContact O-OG1 3.04Å; R78-D117 WeakPolarHBondContact O-CA 3.44Å; R78-L118 PolarHBondContact N-O 3.06Å; R78-L118 PolarHBondContact O-N 2.8Å; R78-E120 IonicContact CZ-OE1 3.36Å; R78-E120 IonicContact NE-OE1 3.34Å; R78-E120 PolarHBondContact NE-OE1 3.44Å; R78-E120 IonicContact NH2-OE1 2.71Å; R78-E120 PolarHBondContact NH2-OE1 2.87Å; R78-K157 PolarHBondContact NH1-O 2.71Å; R78-F160 HydrophobicContact CB-CD1 3.75Å; R78-F160 HydrophobicContact CB-CD2 4.22Å; R78-F160 HydrophobicContact CB-CE1 3.3Å; R78-F160 HydrophobicContact CB-CE2 3.82Å; R78-F160 HydrophobicContact CB-CG 4.2Å; R78-F160 HydrophobicContact CB-CZ 3.34Å; R78-F160 HydrophobicContact CG-CD2 4.37Å; R78-F160 HydrophobicContact CG-CE1 4.39Å; R78-F160 HydrophobicContact CG-CE2 4.22Å; R78-F160 HydrophobicContact CG-CZ 4.23Å
79P95.8Very high78.3Confident76 Ų7680.6 Ų80.649%0.49447%0.465SS..EExtended strand (participates in β ladder)trans-67.9108-167.925.2-35.2000112.2I115 D117 F160P79-I115 HydrophobicContact CB-CG2 3.85Å; P79-D117 VanDerWaalsContact CA-OD1 3.22Å; P79-D117 WeakPolarHBondContact CA-OD1 3.47Å; P79-D117 WeakPolarHBondContact CB-OD1 3.15Å; P79-F160 HydrophobicContact CG-CE1 4.38Å
80T96.8Very high80.6Confident11 Ų1181.5 Ų81.57%0.06746%0.463CS..EExtended strand (participates in β ladder)trans-107127.8-178.7-55.60000109.9R78 F82 I115 L116 L118 I153 V155R78-T80 PolarHBondContact O-N 3.34Å; R78-T80 PolarHBondContact O-OG1 3.04Å; T80-F82 HydrophobicContact CG2-CE2 3.89Å; T80-F82 HydrophobicContact CG2-CZ 4.12Å; T80-I115 WeakPolarHBondContact O-CA 3.39Å; T80-L116 WeakPolarHBondContact CB-O 3.26Å; T80-L116 PolarHBondContact N-O 2.94Å; T80-L116 PolarHBondContact O-N 3.24Å; T80-L118 HydrophobicContact CG2-CD1 4.19Å; T80-I153 HydrophobicContact CG2-CD1 3.66Å; T80-V155 HydrophobicContact CG2-CG2 4.21Å
81V96.9Very high83.2Confident86 Ų8676.4 Ų76.452%0.52144%0.436SS..EExtended strand (participates in β ladder)trans-91.4120.8-176.4-175.80000110.6V113 I115V81-V113 HydrophobicContact CG1-CG1 4.08Å; V81-I115 HydrophobicContact CG2-CD1 4.47Å; V81-I115 HydrophobicContact CG2-CG1 4.25Å
82F97.6Very high85.6Confident2 Ų271.9 Ų71.91%0.00941%0.408CS..EExtended strand (participates in β ladder)trans-104.2121.2168.4-67.5-87.5000109.3T80 L93 F97 V113 A114 L116 L118 Y125 I153T80-F82 HydrophobicContact CG2-CE2 3.89Å; T80-F82 HydrophobicContact CG2-CZ 4.12Å; F82-L93 HydrophobicContact CB-CD2 3.62Å; F82-L93 HydrophobicContact CD1-CD1 4.01Å; F82-L93 HydrophobicContact CD1-CD2 3.93Å; F82-L93 HydrophobicContact CD2-CD2 3.79Å; F82-L93 HydrophobicContact CE2-CD2 4.47Å; F82-L93 HydrophobicContact CG-CD1 4.36Å; F82-L93 HydrophobicContact CG-CD2 3.48Å; F82-L93 VanDerWaalsContact CG-CD2 3.48Å; F82-F97 HydrophobicContact CE1-CE1 4.19Å; F82-F97 HydrophobicContact CE1-CZ 4.37Å; F82-F97 HydrophobicContact CE2-CE1 4.27Å; F82-F97 HydrophobicContact CE2-CZ 4.23Å; F82-F97 AromaticContact CZ-CE1 3.68Å; F82-F97 HydrophobicContact CZ-CE1 3.68Å; F82-F97 AromaticContact CZ-CZ 3.97Å; F82-F97 HydrophobicContact CZ-CZ 3.97Å; F82-V113 VanDerWaalsContact O-CA 3.32Å; F82-V113 WeakPolarHBondContact O-CA 3.49Å; F82-A114 PolarHBondContact N-O 3.19Å; F82-A114 PolarHBondContact O-N 2.68Å; F82-L116 HydrophobicContact CD2-CB 4.49Å; F82-L116 HydrophobicContact CD2-CD1 4.14Å; F82-L116 HydrophobicContact CD2-CG 4.48Å; F82-L116 HydrophobicContact CE2-CB 4.33Å; F82-L116 HydrophobicContact CE2-CD1 4.18Å; F82-L118 HydrophobicContact CE2-CD1 3.72Å; F82-L118 HydrophobicContact CE2-CG 4.49Å; F82-L118 HydrophobicContact CZ-CD1 3.64Å; F82-Y125 HydrophobicContact CD1-CD1 4.39Å; F82-Y125 AromaticContact CD1-CD2 3.81Å; F82-Y125 HydrophobicContact CD1-CD2 3.81Å; F82-Y125 HydrophobicContact CD1-CE1 4.43Å; F82-Y125 AromaticContact CD1-CE2 3.85Å; F82-Y125 HydrophobicContact CD1-CE2 3.85Å; F82-Y125 HydrophobicContact CD1-CG 4.08Å; F82-Y125 AromaticContact CE1-CD1 3.69Å; F82-Y125 HydrophobicContact CE1-CD1 3.69Å; F82-Y125 AromaticContact CE1-CD2 3.89Å; F82-Y125 HydrophobicContact CE1-CD2 3.89Å; F82-Y125 AromaticContact CE1-CE1 3.92Å; F82-Y125 HydrophobicContact CE1-CE1 3.92Å; F82-Y125 HydrophobicContact CE1-CE2 4.11Å; F82-Y125 AromaticContact CE1-CG 3.66Å; F82-Y125 HydrophobicContact CE1-CG 3.66Å; F82-I153 HydrophobicContact CE1-CG2 4.08Å; F82-I153 HydrophobicContact CZ-CG2 4.07Å
83R96.9Very high88.1Confident139 Ų13963.2 Ų63.253%0.52537%0.37SS..EExtended strand (participates in β ladder)trans-127.1128.4-179178.8177.864.5176.8-0.6110.3T85 N111 F112 V113R83-T85 HydrophobicContact CG-CG2 4.05Å; R83-N111 HydrophobicContact CG-CB 4.24Å; R83-F112 CarbonylContact C-O 3.57Å; R83-F112 WeakPolarHBondContact CA-O 3.42Å; R83-V113 HydrophobicContact CB-CG2 4.42Å; R83-V113 HydrophobicContact CG-CG2 4.18Å
84W97.2Very high90.5Very high23 Ų2360.9 Ų60.99%0.08735%0.351CS..EExtended strand (participates in β ladder)trans-102.9121.2165.2178.4-106.7000108.9G86 G87 V91 L105 N111 F112 F127 V129 T134 H135 D136W84-G86 PolarHBondContact NE1-O 2.86Å; W84-G87 PolarHBondContact NE1-O 3.03Å; W84-V91 HydrophobicContact CB-CG1 4.24Å; W84-V91 HydrophobicContact CG-CG1 4.14Å; W84-L105 HydrophobicContact CB-CD1 4.32Å; W84-N111 WeakPolarHBondContact O-CA 3.28Å; W84-F112 HydrophobicContact CB-CB 4.26Å; W84-F112 PolarHBondContact N-O 3.33Å; W84-F112 PolarHBondContact O-N 2.87Å; W84-F127 HydrophobicContact CB-CD1 4.13Å; W84-F127 HydrophobicContact CB-CE1 3.92Å; W84-F127 HydrophobicContact CB-CZ 4.25Å; W84-F127 HydrophobicContact CD2-CD2 4.43Å; W84-F127 HydrophobicContact CD2-CG 4.33Å; W84-F127 HydrophobicContact CE3-CB 4.23Å; W84-F127 HydrophobicContact CE3-CD1 4.35Å; W84-F127 AromaticContact CE3-CD2 3.46Å; W84-F127 HydrophobicContact CE3-CD2 3.46Å; W84-F127 VanDerWaalsContact CE3-CD2 3.46Å; W84-F127 AromaticContact CE3-CE2 3.79Å; W84-F127 HydrophobicContact CE3-CE2 3.79Å; W84-F127 AromaticContact CE3-CG 3.76Å; W84-F127 HydrophobicContact CE3-CG 3.76Å; W84-F127 HydrophobicContact CE3-CZ 4.36Å; W84-F127 HydrophobicContact CZ3-CB 4.49Å; W84-F127 AromaticContact CZ3-CD2 3.85Å; W84-F127 HydrophobicContact CZ3-CD2 3.85Å; W84-F127 HydrophobicContact CZ3-CE2 4.4Å; W84-F127 HydrophobicContact CZ3-CG 4.33Å; W84-V129 HydrophobicContact CD2-CG2 4.31Å; W84-V129 HydrophobicContact CZ2-CG2 3.89Å; W84-T134 HydrophobicContact CH2-CG2 3.45Å; W84-T134 VanDerWaalsContact CH2-CG2 3.45Å; W84-T134 HydrophobicContact CZ2-CG2 3.86Å; W84-T134 HydrophobicContact CZ3-CG2 3.97Å; W84-H135 WeakPolarHBondContact CZ3-O 3.37Å; W84-D136 HydrophobicContact CE3-CB 4.37Å; W84-D136 HydrophobicContact CZ3-CB 4.15Å
85T95.4Very high92.5Very high71 Ų7155.4 Ų55.444%0.43632%0.315SS..  trans-97.4-9-179.761.70000113.1R83R83-T85 HydrophobicContact CG-CG2 4.05Å
86G91.6Very high94Very high27 Ų2754 Ų5428%0.27830%0.301SS..SBendtrans-75.4171.8177.600000113.6W84W84-G86 PolarHBondContact NE1-O 2.86Å
87G90.9Very high94.9Very high63 Ų6350.6 Ų50.665%0.64928%0.284SS*.  trans-66167.6171.600000113.3W84 V129W84-G87 PolarHBondContact NE1-O 3.03Å; G87-V129 WeakPolarHBondContact O-CG1 3.5Å
88G91.6Very high95.3Very high19 Ų1949.5 Ų49.520%0.19627%0.271CS..  trans162.3163.7174.400000112.5R107 F112 D130G88-R107 PolarHBondContact O-NH1 3.1Å; G88-F112 WeakPolarHBondContact O-CZ 3.19Å; G88-D130 WeakPolarHBondContact CA-OD2 3.32Å
89K92.2Very high95.6Very high165 Ų16554.8 Ų54.872%0.71730%0.302SS*.SBendtrans-100-52162.1-63.4178.8-177.5175.20110D130K89-D130 WeakPolarHBondContact CA-OD1 3.36Å; K89-D130 WeakPolarHBondContact CB-OD1 3.49Å; K89-D130 VanDerWaalsContact N-CG 3.33Å; K89-D130 PolarHBondContact N-OD1 2.75Å; K89-D130 PolarHBondContact N-OD2 3.29Å; K89-D130 VanDerWaalsContact N-OD2 3.08Å
90E94.8Very high95.6Very high121 Ų12156.2 Ų56.257%0.56530%0.298SS*.SBendtrans-121.4120.8-179.6-61.5-175.7134.600109.3Y92 D130E90-Y92 HydrophobicContact CB-CE2 3.95Å; E90-D130 PolarHBondContact N-OD1 3.23Å; E90-D130 PolarHBondContact O-N 2.9Å
91V97.8Very high95.6Very high4 Ų458.8 Ų58.82%0.02432%0.317CS..EExtended strand (participates in β ladder)trans-125.4128.3179.8-174.60000109.1W84 L105 F112 F127 F128 V129W84-V91 HydrophobicContact CB-CG1 4.24Å; W84-V91 HydrophobicContact CG-CG1 4.14Å; V91-L105 HydrophobicContact CB-CD1 4.34Å; V91-L105 HydrophobicContact CG1-CD1 3.62Å; V91-L105 HydrophobicContact CG1-CG 4.26Å; V91-L105 PolarHBondContact O-N 2.59Å; V91-F112 HydrophobicContact CB-CB 4.17Å; V91-F112 HydrophobicContact CB-CD1 3.77Å; V91-F112 HydrophobicContact CB-CD2 4.42Å; V91-F112 HydrophobicContact CB-CE1 4.18Å; V91-F112 HydrophobicContact CB-CG 3.89Å; V91-F112 HydrophobicContact CG1-CB 4.44Å; V91-F112 HydrophobicContact CG2-CB 4.38Å; V91-F112 HydrophobicContact CG2-CD1 3.7Å; V91-F112 HydrophobicContact CG2-CD2 3.73Å; V91-F112 HydrophobicContact CG2-CE1 3.73Å; V91-F112 HydrophobicContact CG2-CE2 3.78Å; V91-F112 HydrophobicContact CG2-CG 3.69Å; V91-F112 HydrophobicContact CG2-CZ 3.77Å; V91-F127 HydrophobicContact CG1-CD1 4.18Å; V91-F128 WeakPolarHBondContact CA-O 3.08Å; V91-V129 HydrophobicContact CG1-CG2 3.93Å; V91-V129 HydrophobicContact CG2-CG1 4.27Å; V91-V129 HydrophobicContact CG2-CG2 4.13Å
92Y98.2Very high95.6Very high62 Ų6259.5 Ų59.524%0.24331%0.313CS..EExtended strand (participates in β ladder)trans-121153175.1-53-102.9000110.5E90 K102 L103 P104 F127 F128E90-Y92 HydrophobicContact CB-CE2 3.95Å; Y92-K102 HydrophobicContact CD1-CB 3.92Å; Y92-K102 HydrophobicContact CG-CB 4.16Å; Y92-L103 CarbonylContact C-O 3.45Å; Y92-L103 WeakPolarHBondContact CA-O 3.49Å; Y92-L103 WeakPolarHBondContact CB-O 3.41Å; Y92-P104 HydrophobicContact CD1-CB 3.92Å; Y92-P104 HydrophobicContact CE1-CB 3.9Å; Y92-F127 CarbonylContact O-C 3.46Å; Y92-F127 WeakPolarHBondContact O-CA 3.42Å; Y92-F128 AromaticContact CD2-CD1 3.94Å; Y92-F128 HydrophobicContact CD2-CD1 3.94Å; Y92-F128 PolarHBondContact N-O 2.86Å; Y92-F128 PolarHBondContact O-N 2.95Å
93L98.3Very high95.6Very high0 Ų062.1 Ų62.10%033%0.326CS..EExtended strand (participates in β ladder)trans-112.4136.9174.2176.768.2000109.7F82 F97 N98 L103 L105 L116 Y125 F127F82-L93 HydrophobicContact CB-CD2 3.62Å; F82-L93 HydrophobicContact CD1-CD1 4.01Å; F82-L93 HydrophobicContact CD1-CD2 3.93Å; F82-L93 HydrophobicContact CD2-CD2 3.79Å; F82-L93 HydrophobicContact CE2-CD2 4.47Å; F82-L93 HydrophobicContact CG-CD1 4.36Å; F82-L93 HydrophobicContact CG-CD2 3.48Å; F82-L93 VanDerWaalsContact CG-CD2 3.48Å; L93-F97 HydrophobicContact CD2-CE2 4.34Å; L93-F97 HydrophobicContact CD2-CZ 3.98Å; L93-F97 HydrophobicContact CG-CZ 4.11Å; L93-N98 PolarHBondContact O-ND2 3.38Å; L93-L103 PolarHBondContact N-O 3.44Å; L93-L103 WeakPolarHBondContact O-CB 3.36Å; L93-L103 PolarHBondContact O-N 2.88Å; L93-L105 HydrophobicContact CB-CD2 3.77Å; L93-L105 HydrophobicContact CB-CG 4.34Å; L93-L105 HydrophobicContact CD2-CD2 4.34Å; L93-L116 HydrophobicContact CD2-CD1 3.93Å; L93-Y125 HydrophobicContact CD1-CD2 3.67Å; L93-Y125 HydrophobicContact CD1-CG 4.25Å; L93-F127 HydrophobicContact CD1-CD1 4.25Å; L93-F127 HydrophobicContact CD1-CE1 3.99Å; L93-F127 HydrophobicContact CD1-CZ 4.47Å
94S98Very high95.6Very high0 Ų059.5 Ų59.50%033%0.327CS..EExtended strand (participates in β ladder)trans-137.5141.7173.8-63.20000109.6S101 Y125 K126S94-S101 WeakPolarHBondContact CA-O 3.4Å; S94-S101 VanDerWaalsContact CB-O 3.3Å; S94-S101 WeakPolarHBondContact CB-O 3.36Å; S94-S101 VanDerWaalsContact OG-C 3.31Å; S94-S101 PolarHBondContact OG-O 3.22Å; S94-Y125 CarbonylContact O-C 3.53Å; S94-Y125 VanDerWaalsContact O-CA 3.24Å; S94-Y125 WeakPolarHBondContact O-CA 3.32Å; S94-K126 PolarHBondContact N-O 3.46Å; S94-K126 PolarHBondContact O-N 2.98Å
95G96.8Very high95.7Very high0 Ų059.1 Ų59.10%033%0.327CS..EExtended strand (participates in β ladder)trans-167.1-176.4-179.400000114.4F97 N98 N99 W100 Q124G95-F97 PolarHBondContact O-N 3.12Å; G95-N98 PolarHBondContact N-OD1 3.34Å; G95-N98 PolarHBondContact O-N 2.83Å; G95-N98 PolarHBondContact O-OD1 2.79Å; G95-N99 PolarHBondContact O-N 2.85Å; G95-W100 PolarHBondContact O-N 2.93Å; G95-Q124 CarbonylContact C-O 3.6Å; G95-Q124 WeakPolarHBondContact CA-O 3.03Å
96S95.8Very high95.7Very high51 Ų5161.1 Ų61.136%0.35734%0.339SS..G310 helixtrans-54.5-40.7178.748.40000112.6N98 H123 Q124S96-N98 VanDerWaalsContact C-N 3.3Å; S96-N98 PolarHBondContact O-N 2.92Å; S96-H123 WeakPolarHBondContact OG-CA 3.24Å; S96-Q124 PolarHBondContact N-O 3.05Å; S96-Q124 PolarHBondContact OG-N 2.84Å
97F95Very high95.9Very high52 Ų5266.9 Ų66.923%0.22835%0.353CS..G310 helixtrans-69.3-17.2-177.951-99.4000115.4F82 L93 G95 L116 L118 H123F82-F97 HydrophobicContact CE1-CE1 4.19Å; F82-F97 HydrophobicContact CE1-CZ 4.37Å; F82-F97 HydrophobicContact CE2-CE1 4.27Å; F82-F97 HydrophobicContact CE2-CZ 4.23Å; F82-F97 AromaticContact CZ-CE1 3.68Å; F82-F97 HydrophobicContact CZ-CE1 3.68Å; F82-F97 AromaticContact CZ-CZ 3.97Å; F82-F97 HydrophobicContact CZ-CZ 3.97Å; L93-F97 HydrophobicContact CD2-CE2 4.34Å; L93-F97 HydrophobicContact CD2-CZ 3.98Å; L93-F97 HydrophobicContact CG-CZ 4.11Å; G95-F97 PolarHBondContact O-N 3.12Å; F97-L116 HydrophobicContact CD2-CD1 3.95Å; F97-L116 HydrophobicContact CE2-CD1 3.41Å; F97-L116 VanDerWaalsContact CE2-CD1 3.41Å; F97-L116 HydrophobicContact CZ-CD1 4.02Å; F97-L118 HydrophobicContact CB-CD2 3.42Å; F97-L118 VanDerWaalsContact CB-CD2 3.42Å; F97-L118 HydrophobicContact CD1-CD1 3.83Å; F97-L118 HydrophobicContact CD1-CD2 3.88Å; F97-L118 HydrophobicContact CD2-CD2 4.07Å; F97-L118 HydrophobicContact CE1-CD1 4.21Å; F97-L118 HydrophobicContact CG-CD1 4.33Å; F97-L118 HydrophobicContact CG-CD2 3.52Å; F97-H123 HydrophobicContact CD1-CB 4.11Å
98N94.4Very high95.8Very high26 Ų2667.3 Ų67.314%0.13935%0.346CS..G310 helixtrans-123.623.9-179.977.3-5.2000113.4L93 G95 S96 W100 S101L93-N98 PolarHBondContact O-ND2 3.38Å; G95-N98 PolarHBondContact N-OD1 3.34Å; G95-N98 PolarHBondContact O-N 2.83Å; G95-N98 PolarHBondContact O-OD1 2.79Å; S96-N98 VanDerWaalsContact C-N 3.3Å; S96-N98 PolarHBondContact O-N 2.92Å; N98-W100 PolarHBondContact O-N 2.9Å; N98-W100 PolarHBondContact OD1-N 2.98Å; N98-S101 PolarHBondContact ND2-O 2.99Å; N98-S101 WeakPolarHBondContact O-CB 3.42Å; N98-S101 PolarHBondContact O-N 2.86Å; N98-S101 PolarHBondContact O-OG 3.44Å; N98-S101 PolarHBondContact OD1-N 3.3Å; N98-S101 PolarHBondContact OD1-O 2.91Å
99N95.8Very high95.5Very high152 Ų15274.6 Ų74.681%0.81338%0.375SS*.THydrogen-bonded Turntrans52.835.4-176.2-61.5-49.5000113G95 S101G95-N99 PolarHBondContact O-N 2.85Å; N99-S101 PolarHBondContact O-N 2.95Å
100W95.7Very high95.3Very high106 Ų10672.9 Ų72.940%0.40237%0.373SS..THydrogen-bonded Turntrans5823.3-176.2-60.292.2000115.1G95 N98 Q124 K126 N150G95-W100 PolarHBondContact O-N 2.93Å; N98-W100 PolarHBondContact O-N 2.9Å; N98-W100 PolarHBondContact OD1-N 2.98Å; W100-Q124 HydrophobicContact CH2-CB 4.1Å; W100-Q124 HydrophobicContact CZ2-CB 4.11Å; W100-K126 HydrophobicContact CZ3-CB 4.09Å; W100-N150 HydrophobicContact CH2-CB 4.36Å; W100-N150 VanDerWaalsContact CH2-ND2 3.31Å; W100-N150 WeakPolarHBondContact CH2-ND2 3.46Å
101S97.2Very high95.3Very high66 Ų6669.4 Ų69.446%0.46236%0.359SS..  trans-73157.217164.30000111.9S94 N98 N99 L103S94-S101 WeakPolarHBondContact CA-O 3.4Å; S94-S101 VanDerWaalsContact CB-O 3.3Å; S94-S101 WeakPolarHBondContact CB-O 3.36Å; S94-S101 VanDerWaalsContact OG-C 3.31Å; S94-S101 PolarHBondContact OG-O 3.22Å; N98-S101 PolarHBondContact ND2-O 2.99Å; N98-S101 WeakPolarHBondContact O-CB 3.42Å; N98-S101 PolarHBondContact O-N 2.86Å; N98-S101 PolarHBondContact O-OG 3.44Å; N98-S101 PolarHBondContact OD1-N 3.3Å; N98-S101 PolarHBondContact OD1-O 2.91Å; N99-S101 PolarHBondContact O-N 2.95Å; S101-L103 PolarHBondContact O-N 3.29Å
102K97.1Very high95.2Very high100 Ų10069.6 Ų69.644%0.43536%0.359SS..  trans-87.1105.8-179.3-67.2-172.6-177.3-175.50111Y92 F128Y92-K102 HydrophobicContact CD1-CB 3.92Å; Y92-K102 HydrophobicContact CG-CB 4.16Å; K102-F128 HydrophobicContact CD-CD1 4.2Å; K102-F128 HydrophobicContact CD-CG 4.46Å
103L97.6Very high95.2Very high57 Ų5768.6 Ų68.630%0.29836%0.359SS..EExtended strand (participates in β ladder)trans-91.4119.5171.3-178.777.2000109.7Y92 L93 S101 A114 L116Y92-L103 CarbonylContact C-O 3.45Å; Y92-L103 WeakPolarHBondContact CA-O 3.49Å; Y92-L103 WeakPolarHBondContact CB-O 3.41Å; L93-L103 PolarHBondContact N-O 3.44Å; L93-L103 WeakPolarHBondContact O-CB 3.36Å; L93-L103 PolarHBondContact O-N 2.88Å; S101-L103 PolarHBondContact O-N 3.29Å; L103-A114 HydrophobicContact CD2-CB 4.25Å; L103-L116 HydrophobicContact CD2-CD1 3.81Å; L103-L116 HydrophobicContact CD2-CD2 3.79Å; L103-L116 HydrophobicContact CD2-CG 4.2Å
104P97.3Very high95.1Very high84 Ų8469.3 Ų69.355%0.54537%0.366SS..EExtended strand (participates in β ladder)trans-67.5137.9176.628-33.9000111.4Y92Y92-P104 HydrophobicContact CD1-CB 3.92Å; Y92-P104 HydrophobicContact CE1-CB 3.9Å
105L97.6Very high95Very high16 Ų1674.6 Ų74.68%0.08439%0.393CS..PPolyproline II helixtrans-91.3144.3175.5-61.9-171000112.1W84 V91 L93 R107 F112 A114 F127W84-L105 HydrophobicContact CB-CD1 4.32Å; V91-L105 HydrophobicContact CB-CD1 4.34Å; V91-L105 HydrophobicContact CG1-CD1 3.62Å; V91-L105 HydrophobicContact CG1-CG 4.26Å; V91-L105 PolarHBondContact O-N 2.59Å; L93-L105 HydrophobicContact CB-CD2 3.77Å; L93-L105 HydrophobicContact CB-CG 4.34Å; L93-L105 HydrophobicContact CD2-CD2 4.34Å; L105-R107 PolarHBondContact O-N 3.03Å; L105-F112 HydrophobicContact CB-CB 3.8Å; L105-F112 HydrophobicContact CD1-CB 3.87Å; L105-A114 HydrophobicContact CD2-CB 3.41Å; L105-A114 VanDerWaalsContact CD2-CB 3.41Å; L105-F127 HydrophobicContact CD1-CD1 4.03Å; L105-F127 HydrophobicContact CD1-CE1 3.83Å
106T96.6Very high95Very high112 Ų11276.4 Ų76.469%0.68740%0.402SS*.EExtended strand (participates in β ladder)trans-76.5122.4175.1-60.70000110F112 V113T106-F112 WeakPolarHBondContact O-CA 3.33Å; T106-V113 PolarHBondContact N-O 3.21Å; T106-V113 PolarHBondContact O-N 2.94Å
107R94.9Very high95Very high148 Ų14879 Ų7956%0.55841%0.412SS*.EExtended strand (participates in β ladder)trans-79.3122.1177.9-177.1173-179.81436.6111.6G88 L105 F112G88-R107 PolarHBondContact O-NH1 3.1Å; L105-R107 PolarHBondContact O-N 3.03Å; R107-F112 HydrophobicContact CB-CD1 3.76Å; R107-F112 HydrophobicContact CB-CE1 3.64Å; R107-F112 HydrophobicContact CB-CZ 4.34Å; R107-F112 HydrophobicContact CG-CD1 4.14Å; R107-F112 HydrophobicContact CG-CE1 3.73Å; R107-F112 HydrophobicContact CG-CE2 4.46Å; R107-F112 HydrophobicContact CG-CZ 3.91Å
108S88.8Confident95Very high73 Ų7376.8 Ų76.851%0.5140%0.403SS..  trans-96.8-170.6162.4-1720000110N110 N111S108-N110 PolarHBondContact O-N 2.92Å; S108-N111 WeakPolarHBondContact CA-O 3.43Å; S108-N111 WeakPolarHBondContact CB-O 3.3Å; S108-N111 PolarHBondContact N-O 3.24Å
109Q85.8Confident95Very high172 Ų17277.8 Ų77.880%0.80441%0.411SS*.SBendtrans-57-53.5-177.7-67179.3-8.400112.3
110N88.4Confident95Very high128 Ų12874 Ų7468%0.68439%0.388SS*.SBendtrans-120.1-4-175.9-69.433.3000114.1S108S108-N110 PolarHBondContact O-N 2.92Å
111N93.8Very high94.9Very high48 Ų4870 Ų7026%0.25738%0.38SS..  trans-131.8151.5-173.2-61.1-57.7000110.7R83 W84 S108 V113R83-N111 HydrophobicContact CG-CB 4.24Å; W84-N111 WeakPolarHBondContact O-CA 3.28Å; S108-N111 WeakPolarHBondContact CA-O 3.43Å; S108-N111 WeakPolarHBondContact CB-O 3.3Å; S108-N111 PolarHBondContact N-O 3.24Å; N111-V113 HydrophobicContact CB-CG2 4.18Å
112F97.1Very high94.9Very high8 Ų871.8 Ų71.84%0.03538%0.381CS..EExtended strand (participates in β ladder)trans-109.5133.3163.4-63.6-106.9000108.7R83 W84 G88 V91 L105 T106 R107R83-F112 CarbonylContact C-O 3.57Å; R83-F112 WeakPolarHBondContact CA-O 3.42Å; W84-F112 HydrophobicContact CB-CB 4.26Å; W84-F112 PolarHBondContact N-O 3.33Å; W84-F112 PolarHBondContact O-N 2.87Å; G88-F112 WeakPolarHBondContact O-CZ 3.19Å; V91-F112 HydrophobicContact CB-CB 4.17Å; V91-F112 HydrophobicContact CB-CD1 3.77Å; V91-F112 HydrophobicContact CB-CD2 4.42Å; V91-F112 HydrophobicContact CB-CE1 4.18Å; V91-F112 HydrophobicContact CB-CG 3.89Å; V91-F112 HydrophobicContact CG1-CB 4.44Å; V91-F112 HydrophobicContact CG2-CB 4.38Å; V91-F112 HydrophobicContact CG2-CD1 3.7Å; V91-F112 HydrophobicContact CG2-CD2 3.73Å; V91-F112 HydrophobicContact CG2-CE1 3.73Å; V91-F112 HydrophobicContact CG2-CE2 3.78Å; V91-F112 HydrophobicContact CG2-CG 3.69Å; V91-F112 HydrophobicContact CG2-CZ 3.77Å; L105-F112 HydrophobicContact CB-CB 3.8Å; L105-F112 HydrophobicContact CD1-CB 3.87Å; T106-F112 WeakPolarHBondContact O-CA 3.33Å; R107-F112 HydrophobicContact CB-CD1 3.76Å; R107-F112 HydrophobicContact CB-CE1 3.64Å; R107-F112 HydrophobicContact CB-CZ 4.34Å; R107-F112 HydrophobicContact CG-CD1 4.14Å; R107-F112 HydrophobicContact CG-CE1 3.73Å; R107-F112 HydrophobicContact CG-CE2 4.46Å; R107-F112 HydrophobicContact CG-CZ 3.91Å
113V97.1Very high94.9Very high41 Ų4167.9 Ų67.925%0.24836%0.364CS..EExtended strand (participates in β ladder)trans-136.6142.8-170.7-175.40000111.7V81 F82 R83 T106 N111V81-V113 HydrophobicContact CG1-CG1 4.08Å; F82-V113 VanDerWaalsContact O-CA 3.32Å; F82-V113 WeakPolarHBondContact O-CA 3.49Å; R83-V113 HydrophobicContact CB-CG2 4.42Å; R83-V113 HydrophobicContact CG-CG2 4.18Å; T106-V113 PolarHBondContact N-O 3.21Å; T106-V113 PolarHBondContact O-N 2.94Å; N111-V113 HydrophobicContact CB-CG2 4.18Å
114A96.7Very high94.8Very high16 Ų1667.5 Ų67.513%0.13236%0.361CS..EExtended strand (participates in β ladder)trans-132.7149.9157.500000109.5F82 L103 L105F82-A114 PolarHBondContact N-O 3.19Å; F82-A114 PolarHBondContact O-N 2.68Å; L103-A114 HydrophobicContact CD2-CB 4.25Å; L105-A114 HydrophobicContact CD2-CB 3.41Å; L105-A114 VanDerWaalsContact CD2-CB 3.41Å
115I96.7Very high94.9Very high110 Ų11064 Ų6456%0.56434%0.337SS*.EExtended strand (participates in β ladder)trans-115.9126169.7-54.2-178.4000105.9P79 T80 V81P79-I115 HydrophobicContact CB-CG2 3.85Å; T80-I115 WeakPolarHBondContact O-CA 3.39Å; V81-I115 HydrophobicContact CG2-CD1 4.47Å; V81-I115 HydrophobicContact CG2-CG1 4.25Å
116L96.2Very high94.9Very high39 Ų3964.5 Ų64.520%0.20434%0.338CS..EExtended strand (participates in β ladder)trans-130.6130.7-176-67176.8000109.7T80 F82 L93 F97 L103 L118T80-L116 WeakPolarHBondContact CB-O 3.26Å; T80-L116 PolarHBondContact N-O 2.94Å; T80-L116 PolarHBondContact O-N 3.24Å; F82-L116 HydrophobicContact CD2-CB 4.49Å; F82-L116 HydrophobicContact CD2-CD1 4.14Å; F82-L116 HydrophobicContact CD2-CG 4.48Å; F82-L116 HydrophobicContact CE2-CB 4.33Å; F82-L116 HydrophobicContact CE2-CD1 4.18Å; L93-L116 HydrophobicContact CD2-CD1 3.93Å; F97-L116 HydrophobicContact CD2-CD1 3.95Å; F97-L116 HydrophobicContact CE2-CD1 3.41Å; F97-L116 VanDerWaalsContact CE2-CD1 3.41Å; F97-L116 HydrophobicContact CZ-CD1 4.02Å; L103-L116 HydrophobicContact CD2-CD1 3.81Å; L103-L116 HydrophobicContact CD2-CD2 3.79Å; L103-L116 HydrophobicContact CD2-CG 4.2Å; L116-L118 HydrophobicContact CB-CD2 4.27Å; L116-L118 HydrophobicContact CB-CG 4.41Å; L116-L118 PolarHBondContact O-N 3.14Å
117D95.8Very high94.9Very high106 Ų10659.2 Ų59.257%0.56731%0.306SS*.EExtended strand (participates in β ladder)trans-74.2111.7172.9-62.4-42.2000109.2A77 R78 P79A77-D117 HydrophobicContact CB-CB 3.72Å; R78-D117 WeakPolarHBondContact O-CA 3.44Å; P79-D117 VanDerWaalsContact CA-OD1 3.22Å; P79-D117 WeakPolarHBondContact CA-OD1 3.47Å; P79-D117 WeakPolarHBondContact CB-OD1 3.15Å
118L95.3Very high95.1Very high5 Ų553.6 Ų53.63%0.02629%0.286CS..EExtended strand (participates in β ladder)trans-115.3139.3-179.8-62.3-170.1000110.8A77 R78 T80 F82 F97 L116 H123 V155A77-L118 WeakPolarHBondContact CA-O 3.23Å; R78-L118 PolarHBondContact N-O 3.06Å; R78-L118 PolarHBondContact O-N 2.8Å; T80-L118 HydrophobicContact CG2-CD1 4.19Å; F82-L118 HydrophobicContact CE2-CD1 3.72Å; F82-L118 HydrophobicContact CE2-CG 4.49Å; F82-L118 HydrophobicContact CZ-CD1 3.64Å; F97-L118 HydrophobicContact CB-CD2 3.42Å; F97-L118 VanDerWaalsContact CB-CD2 3.42Å; F97-L118 HydrophobicContact CD1-CD1 3.83Å; F97-L118 HydrophobicContact CD1-CD2 3.88Å; F97-L118 HydrophobicContact CD2-CD2 4.07Å; F97-L118 HydrophobicContact CE1-CD1 4.21Å; F97-L118 HydrophobicContact CG-CD1 4.33Å; F97-L118 HydrophobicContact CG-CD2 3.52Å; L116-L118 HydrophobicContact CB-CD2 4.27Å; L116-L118 HydrophobicContact CB-CG 4.41Å; L116-L118 PolarHBondContact O-N 3.14Å; L118-H123 HydrophobicContact CD1-CB 4.29Å; L118-V155 HydrophobicContact CB-CG2 4.35Å
119P94.6Very high95.5Very high47 Ų4751 Ų5131%0.30527%0.266SS..  trans-66.8156.117130.8-35.1000110.3A75 G121 H123A75-P119 HydrophobicContact CB-CB 3.97Å; P119-G121 PolarHBondContact O-N 2.89Å; P119-H123 PolarHBondContact O-NE2 2.83Å
120E94.3Very high96Very high72 Ų7246.8 Ų46.834%0.33625%0.249SC..SBendtrans-54.1137.7172.8-65.5167-142.400111.7R78 V155 K157R78-E120 IonicContact CZ-OE1 3.36Å; R78-E120 IonicContact NE-OE1 3.34Å; R78-E120 PolarHBondContact NE-OE1 3.44Å; R78-E120 IonicContact NH2-OE1 2.71Å; R78-E120 PolarHBondContact NH2-OE1 2.87Å; E120-V155 WeakPolarHBondContact CA-O 3.23Å; E120-K157 HydrophobicContact CG-CG 4.49Å; E120-K157 WeakPolarHBondContact OE1-CE 3.49Å; E120-K157 WeakPolarHBondContact OE1-CG 3.31Å; E120-K157 WeakPolarHBondContact OE2-CE 3.44Å; E120-K157 WeakPolarHBondContact OE2-CG 3.45Å
121G94.8Very high96.3Very high23 Ų2342.6 Ų42.624%0.23724%0.237CC..EExtended strand (participates in β ladder)trans140.9-175.6-177.500000114.2P119 Q154 V155P119-G121 PolarHBondContact O-N 2.89Å; G121-Q154 VanDerWaalsContact C-NE2 3.29Å; G121-Q154 PolarHBondContact O-NE2 2.95Å; G121-V155 PolarHBondContact N-O 3.15Å; G121-V155 PolarHBondContact O-N 3.5Å
122E96.3Very high96.4Very high103 Ų10347.1 Ų47.148%0.48126%0.256SS..EExtended strand (participates in β ladder)trans-82.5130.4172.4-176-172.4127.800110Q124 I152E122-Q124 PolarHBondContact OE1-NE2 3.39Å; E122-Q124 VanDerWaalsContact OE1-NE2 3.1Å; E122-I152 HydrophobicContact CG-CD1 3.55Å; E122-I152 HydrophobicContact CG-CG1 3.63Å
123H96.6Very high96.4Very high17 Ų1752.4 Ų52.48%0.07928%0.276CS..EExtended strand (participates in β ladder)trans-126.2129.7171.9-63.2-83.4000110.9S96 F97 L118 P119 I152 I153S96-H123 WeakPolarHBondContact OG-CA 3.24Å; F97-H123 HydrophobicContact CD1-CB 4.11Å; L118-H123 HydrophobicContact CD1-CB 4.29Å; P119-H123 PolarHBondContact O-NE2 2.83Å; H123-I152 WeakPolarHBondContact O-CA 3.48Å; H123-I153 HydrophobicContact CB-CG2 3.93Å; H123-I153 PolarHBondContact N-O 3.26Å; H123-I153 PolarHBondContact O-N 3.18Å
124Q97.2Very high96.3Very high49 Ų4952.6 Ų52.623%0.22928%0.277CS..EExtended strand (participates in β ladder)trans-98.3138.9174.9-63.5-174.218.100109.9G95 S96 W100 E122 V142 N150 N151G95-Q124 CarbonylContact C-O 3.6Å; G95-Q124 WeakPolarHBondContact CA-O 3.03Å; S96-Q124 PolarHBondContact N-O 3.05Å; S96-Q124 PolarHBondContact OG-N 2.84Å; W100-Q124 HydrophobicContact CH2-CB 4.1Å; W100-Q124 HydrophobicContact CZ2-CB 4.11Å; E122-Q124 PolarHBondContact OE1-NE2 3.39Å; E122-Q124 VanDerWaalsContact OE1-NE2 3.1Å; Q124-V142 VanDerWaalsContact CD-CG1 3.46Å; Q124-V142 HydrophobicContact CG-CG1 3.82Å; Q124-N150 HydrophobicContact CB-CB 4.44Å; Q124-N150 PolarHBondContact OE1-ND2 2.94Å; Q124-N151 WeakPolarHBondContact CA-O 3.49Å
125Y97.7Very high96.3Very high10 Ų1054.8 Ų54.84%0.03929%0.285CS..EExtended strand (participates in β ladder)trans-147.9164.1-177.169.8-80.9000112.6F82 L93 S94 F127 N151 I153F82-Y125 HydrophobicContact CD1-CD1 4.39Å; F82-Y125 AromaticContact CD1-CD2 3.81Å; F82-Y125 HydrophobicContact CD1-CD2 3.81Å; F82-Y125 HydrophobicContact CD1-CE1 4.43Å; F82-Y125 AromaticContact CD1-CE2 3.85Å; F82-Y125 HydrophobicContact CD1-CE2 3.85Å; F82-Y125 HydrophobicContact CD1-CG 4.08Å; F82-Y125 AromaticContact CE1-CD1 3.69Å; F82-Y125 HydrophobicContact CE1-CD1 3.69Å; F82-Y125 AromaticContact CE1-CD2 3.89Å; F82-Y125 HydrophobicContact CE1-CD2 3.89Å; F82-Y125 AromaticContact CE1-CE1 3.92Å; F82-Y125 HydrophobicContact CE1-CE1 3.92Å; F82-Y125 HydrophobicContact CE1-CE2 4.11Å; F82-Y125 AromaticContact CE1-CG 3.66Å; F82-Y125 HydrophobicContact CE1-CG 3.66Å; L93-Y125 HydrophobicContact CD1-CD2 3.67Å; L93-Y125 HydrophobicContact CD1-CG 4.25Å; S94-Y125 CarbonylContact O-C 3.53Å; S94-Y125 VanDerWaalsContact O-CA 3.24Å; S94-Y125 WeakPolarHBondContact O-CA 3.32Å; Y125-F127 HydrophobicContact CD2-CE2 4.19Å; Y125-F127 HydrophobicContact CD2-CZ 4.31Å; Y125-F127 AromaticContact CE2-CE2 3.69Å; Y125-F127 HydrophobicContact CE2-CE2 3.69Å; Y125-F127 AromaticContact CE2-CZ 3.88Å; Y125-F127 HydrophobicContact CE2-CZ 3.88Å; Y125-N151 HydrophobicContact CD1-CB 3.84Å; Y125-N151 HydrophobicContact CD2-CB 4Å; Y125-N151 HydrophobicContact CE1-CB 3.4Å; Y125-N151 VanDerWaalsContact CE1-CB 3.4Å; Y125-N151 HydrophobicContact CE2-CB 3.58Å; Y125-N151 HydrophobicContact CG-CB 4.14Å; Y125-N151 PolarHBondContact N-O 3.31Å; Y125-N151 PolarHBondContact O-N 3.08Å; Y125-I153 HydrophobicContact CD1-CG2 4.07Å; Y125-I153 HydrophobicContact CE1-CB 3.94Å; Y125-I153 HydrophobicContact CE1-CG2 3.96Å
126K97.6Very high96.3Very high28 Ų2849.8 Ų49.812%0.12226%0.259CS..EExtended strand (participates in β ladder)trans-153.4148.6179.5-159168.4-169163.40111S94 W100 W133 T134 V149S94-K126 PolarHBondContact N-O 3.46Å; S94-K126 PolarHBondContact O-N 2.98Å; W100-K126 HydrophobicContact CZ3-CB 4.09Å; K126-W133 HydrophobicContact CB-CE3 4.15Å; K126-W133 HydrophobicContact CB-CZ3 4.16Å; K126-W133 HydrophobicContact CD-CB 4.41Å; K126-W133 HydrophobicContact CD-CD2 4.49Å; K126-W133 HydrophobicContact CD-CE3 3.93Å; K126-W133 HydrophobicContact CG-CE3 3.89Å; K126-W133 HydrophobicContact CG-CZ3 4.4Å; K126-T134 WeakPolarHBondContact CG-O 3.38Å; K126-V149 WeakPolarHBondContact CE-O 3.4Å; K126-V149 PolarHBondContact NZ-O 3.46Å
127F98.1Very high96.2Very high1 Ų153.3 Ų53.30%0.00428%0.284CS..EExtended strand (participates in β ladder)trans-96142.5176.4-62.8-78.5000111.1W84 V91 Y92 L93 L105 Y125 V129 T134 D136W84-F127 HydrophobicContact CB-CD1 4.13Å; W84-F127 HydrophobicContact CB-CE1 3.92Å; W84-F127 HydrophobicContact CB-CZ 4.25Å; W84-F127 HydrophobicContact CD2-CD2 4.43Å; W84-F127 HydrophobicContact CD2-CG 4.33Å; W84-F127 HydrophobicContact CE3-CB 4.23Å; W84-F127 HydrophobicContact CE3-CD1 4.35Å; W84-F127 AromaticContact CE3-CD2 3.46Å; W84-F127 HydrophobicContact CE3-CD2 3.46Å; W84-F127 VanDerWaalsContact CE3-CD2 3.46Å; W84-F127 AromaticContact CE3-CE2 3.79Å; W84-F127 HydrophobicContact CE3-CE2 3.79Å; W84-F127 AromaticContact CE3-CG 3.76Å; W84-F127 HydrophobicContact CE3-CG 3.76Å; W84-F127 HydrophobicContact CE3-CZ 4.36Å; W84-F127 HydrophobicContact CZ3-CB 4.49Å; W84-F127 AromaticContact CZ3-CD2 3.85Å; W84-F127 HydrophobicContact CZ3-CD2 3.85Å; W84-F127 HydrophobicContact CZ3-CE2 4.4Å; W84-F127 HydrophobicContact CZ3-CG 4.33Å; V91-F127 HydrophobicContact CG1-CD1 4.18Å; Y92-F127 CarbonylContact O-C 3.46Å; Y92-F127 WeakPolarHBondContact O-CA 3.42Å; L93-F127 HydrophobicContact CD1-CD1 4.25Å; L93-F127 HydrophobicContact CD1-CE1 3.99Å; L93-F127 HydrophobicContact CD1-CZ 4.47Å; L105-F127 HydrophobicContact CD1-CD1 4.03Å; L105-F127 HydrophobicContact CD1-CE1 3.83Å; Y125-F127 HydrophobicContact CD2-CE2 4.19Å; Y125-F127 HydrophobicContact CD2-CZ 4.31Å; Y125-F127 AromaticContact CE2-CE2 3.69Å; Y125-F127 HydrophobicContact CE2-CE2 3.69Å; Y125-F127 AromaticContact CE2-CZ 3.88Å; Y125-F127 HydrophobicContact CE2-CZ 3.88Å; F127-V129 HydrophobicContact CB-CG2 4.2Å; F127-T134 HydrophobicContact CB-CG2 4.04Å; F127-T134 PolarHBondContact N-O 3.39Å; F127-T134 PolarHBondContact O-N 3.42Å; F127-T134 VanDerWaalsContact O-O 3.05Å; F127-D136 HydrophobicContact CE2-CB 4.11Å
128F97.8Very high96.2Very high30 Ų3052.6 Ų52.613%0.13229%0.288CS..EExtended strand (participates in β ladder)trans-115.4106169.3-173.9-94.5000108V91 Y92 K102 G131 Q132 W133V91-F128 WeakPolarHBondContact CA-O 3.08Å; Y92-F128 AromaticContact CD2-CD1 3.94Å; Y92-F128 HydrophobicContact CD2-CD1 3.94Å; Y92-F128 PolarHBondContact N-O 2.86Å; Y92-F128 PolarHBondContact O-N 2.95Å; K102-F128 HydrophobicContact CD-CD1 4.2Å; K102-F128 HydrophobicContact CD-CG 4.46Å; F128-G131 VanDerWaalsContact CE2-C 3.5Å; F128-G131 VanDerWaalsContact CE2-O 3.27Å; F128-G131 WeakPolarHBondContact CE2-O 3.22Å; F128-G131 VanDerWaalsContact CZ-O 3.24Å; F128-G131 WeakPolarHBondContact CZ-O 3.44Å; F128-Q132 CarbonylContact C-O 3.53Å; F128-Q132 WeakPolarHBondContact CA-O 3.48Å; F128-W133 HydrophobicContact CB-CD2 4.37Å; F128-W133 HydrophobicContact CB-CE3 3.94Å; F128-W133 HydrophobicContact CB-CH2 4.31Å; F128-W133 HydrophobicContact CB-CZ3 3.91Å; F128-W133 AromaticContact CD2-CD2 3.67Å; F128-W133 HydrophobicContact CD2-CD2 3.67Å; F128-W133 AromaticContact CD2-CE2 3.65Å; F128-W133 HydrophobicContact CD2-CE3 4.12Å; F128-W133 AromaticContact CD2-CG 3.94Å; F128-W133 HydrophobicContact CD2-CG 3.94Å; F128-W133 HydrophobicContact CD2-CZ2 4.13Å; F128-W133 AromaticContact CD2-NE1 3.86Å
129V97.5Very high96.3Very high18 Ų1856.3 Ų56.311%0.10931%0.305CS..EExtended strand (participates in β ladder)trans-115.1122-171.8178.20000108.6W84 G87 V91 F127 G131 Q132 T134W84-V129 HydrophobicContact CD2-CG2 4.31Å; W84-V129 HydrophobicContact CZ2-CG2 3.89Å; G87-V129 WeakPolarHBondContact O-CG1 3.5Å; V91-V129 HydrophobicContact CG1-CG2 3.93Å; V91-V129 HydrophobicContact CG2-CG1 4.27Å; V91-V129 HydrophobicContact CG2-CG2 4.13Å; F127-V129 HydrophobicContact CB-CG2 4.2Å; V129-G131 PolarHBondContact O-N 3.04Å; V129-Q132 PolarHBondContact N-O 3.17Å; V129-Q132 PolarHBondContact O-N 3.26Å; V129-T134 HydrophobicContact CB-CG2 4.16Å; V129-T134 HydrophobicContact CG2-CG2 3.59Å
130D95.9Very high96.4Very high83 Ų8357.8 Ų57.844%0.44432%0.315SS..THydrogen-bonded Turntrans4737.6174-65.7-12000114.5G88 K89 E90G88-D130 WeakPolarHBondContact CA-OD2 3.32Å; K89-D130 WeakPolarHBondContact CA-OD1 3.36Å; K89-D130 WeakPolarHBondContact CB-OD1 3.49Å; K89-D130 VanDerWaalsContact N-CG 3.33Å; K89-D130 PolarHBondContact N-OD1 2.75Å; K89-D130 PolarHBondContact N-OD2 3.29Å; K89-D130 VanDerWaalsContact N-OD2 3.08Å; E90-D130 PolarHBondContact N-OD1 3.23Å; E90-D130 PolarHBondContact O-N 2.9Å
131G94.9Very high96.5Very high41 Ų4158.5 Ų58.542%0.42332%0.32SS..THydrogen-bonded Turntrans96.2-6.3179.800000115.9F128 V129F128-G131 VanDerWaalsContact CE2-C 3.5Å; F128-G131 VanDerWaalsContact CE2-O 3.27Å; F128-G131 WeakPolarHBondContact CE2-O 3.22Å; F128-G131 VanDerWaalsContact CZ-O 3.24Å; F128-G131 WeakPolarHBondContact CZ-O 3.44Å; V129-G131 PolarHBondContact O-N 3.04Å
132Q96.3Very high96.6Very high143 Ų14359.3 Ų59.367%0.66832%0.32SS*.EExtended strand (participates in β ladder)trans-118.3142.6-174.1-63.4-59.1-31.200113.1F128 V129F128-Q132 CarbonylContact C-O 3.53Å; F128-Q132 WeakPolarHBondContact CA-O 3.48Å; V129-Q132 PolarHBondContact N-O 3.17Å; V129-Q132 PolarHBondContact O-N 3.26Å
133W96.4Very high96.5Very high118 Ų11858.6 Ų58.645%0.44732%0.323SS..EExtended strand (participates in β ladder)trans-82.7122.8174.2-76.2111.4000111K126 F128K126-W133 HydrophobicContact CB-CE3 4.15Å; K126-W133 HydrophobicContact CB-CZ3 4.16Å; K126-W133 HydrophobicContact CD-CB 4.41Å; K126-W133 HydrophobicContact CD-CD2 4.49Å; K126-W133 HydrophobicContact CD-CE3 3.93Å; K126-W133 HydrophobicContact CG-CE3 3.89Å; K126-W133 HydrophobicContact CG-CZ3 4.4Å; F128-W133 HydrophobicContact CB-CD2 4.37Å; F128-W133 HydrophobicContact CB-CE3 3.94Å; F128-W133 HydrophobicContact CB-CH2 4.31Å; F128-W133 HydrophobicContact CB-CZ3 3.91Å; F128-W133 AromaticContact CD2-CD2 3.67Å; F128-W133 HydrophobicContact CD2-CD2 3.67Å; F128-W133 AromaticContact CD2-CE2 3.65Å; F128-W133 HydrophobicContact CD2-CE3 4.12Å; F128-W133 AromaticContact CD2-CG 3.94Å; F128-W133 HydrophobicContact CD2-CG 3.94Å; F128-W133 HydrophobicContact CD2-CZ2 4.13Å; F128-W133 AromaticContact CD2-NE1 3.86Å
134T96.3Very high96Very high45 Ų4560 Ų6028%0.27634%0.335SS..EExtended strand (participates in β ladder)trans-138.7169.1-179.3-166.80000111.6W84 K126 F127 V129W84-T134 HydrophobicContact CH2-CG2 3.45Å; W84-T134 VanDerWaalsContact CH2-CG2 3.45Å; W84-T134 HydrophobicContact CZ2-CG2 3.86Å; W84-T134 HydrophobicContact CZ3-CG2 3.97Å; K126-T134 WeakPolarHBondContact CG-O 3.38Å; F127-T134 HydrophobicContact CB-CG2 4.04Å; F127-T134 PolarHBondContact N-O 3.39Å; F127-T134 PolarHBondContact O-N 3.42Å; F127-T134 VanDerWaalsContact O-O 3.05Å; V129-T134 HydrophobicContact CB-CG2 4.16Å; V129-T134 HydrophobicContact CG2-CG2 3.59Å
135H96.2Very high95.4Very high62 Ų6267.4 Ų67.429%0.28737%0.369SS..  trans-127.3157.617666.8-82.9000108.7W84 N151W84-H135 WeakPolarHBondContact CZ3-O 3.37Å; H135-N151 VanDerWaalsContact CA-OD1 3.32Å; H135-N151 WeakPolarHBondContact CA-OD1 3.46Å; H135-N151 VanDerWaalsContact CB-OD1 3.28Å; H135-N151 WeakPolarHBondContact CB-OD1 3.34Å
136D96.3Very high94.9Very high6 Ų674.4 Ų74.43%0.03241%0.407CS..  trans-79.2122.3170.5-164.3-48.6000108.6W84 F127 S138 E139 N151W84-D136 HydrophobicContact CE3-CB 4.37Å; W84-D136 HydrophobicContact CZ3-CB 4.15Å; F127-D136 HydrophobicContact CE2-CB 4.11Å; D136-S138 VanDerWaalsContact C-N 3.25Å; D136-S138 PolarHBondContact O-N 3.21Å; D136-S138 WeakPolarHBondContact OD1-CB 3.45Å; D136-S138 PolarHBondContact OD1-N 3.49Å; D136-S138 PolarHBondContact OD1-OG 3.37Å; D136-E139 HydrophobicContact CB-CB 4.29Å; D136-E139 HydrophobicContact CB-CG 4.2Å; D136-N151 PolarHBondContact N-OD1 3.24Å; D136-N151 PolarHBondContact O-ND2 2.8Å
137P95.3Very high94.4Very high112 Ų11275.6 Ų75.673%0.72743%0.427SS*.THydrogen-bonded Turntrans-77.1-8.5-178.833.6-37.2000113.6
138S95.3Very high94.1Very high92 Ų9278.5 Ų78.564%0.64345%0.445SS*.THydrogen-bonded Turntrans-89.3-19.2175.866.20000113.2D136D136-S138 VanDerWaalsContact C-N 3.25Å; D136-S138 PolarHBondContact O-N 3.21Å; D136-S138 WeakPolarHBondContact OD1-CB 3.45Å; D136-S138 PolarHBondContact OD1-N 3.49Å; D136-S138 PolarHBondContact OD1-OG 3.37Å
139E96.6Very high94Very high82 Ų8279.1 Ų79.138%0.38345%0.451SS..SBendtrans-96.9152179.1-67.3-63.5155.500111.7D136 N151D136-E139 HydrophobicContact CB-CB 4.29Å; D136-E139 HydrophobicContact CB-CG 4.2Å; E139-N151 PolarHBondContact O-ND2 3.26Å
140P96.6Very high94Very high79 Ų7978.7 Ų78.751%0.51345%0.448SS..  trans-54.4148.7176-26.836.4000113.4N151 I152P140-N151 VanDerWaalsContact O-CA 3.26Å; P140-N151 WeakPolarHBondContact O-CA 3.36Å; P140-N151 PolarHBondContact O-ND2 3.23Å; P140-N151 VanDerWaalsContact O-ND2 3.12Å; P140-I152 HydrophobicContact CB-CG2 3.71Å; P140-I152 PolarHBondContact O-N 2.91Å
141I97.1Very high94.1Very high87 Ų8774.7 Ų74.745%0.44643%0.427SS..EExtended strand (participates in β ladder)trans-125.5153.6178.258.9166.7000112.7V149 N150I141-V149 HydrophobicContact CB-CG1 4Å; I141-V149 HydrophobicContact CD1-CG1 3.9Å; I141-V149 HydrophobicContact CG2-CG1 4.15Å; I141-N150 CarbonylContact C-O 3.59Å; I141-N150 VanDerWaalsContact CA-O 3.23Å; I141-N150 WeakPolarHBondContact CA-O 3.45Å; I141-N150 WeakPolarHBondContact CB-O 3.48Å
142V96.5Very high94.2Very high39 Ų3974.6 Ų74.624%0.23642%0.416CS..EExtended strand (participates in β ladder)trans-132.9139.6171.264.20000109.7Q124 N150 I152Q124-V142 VanDerWaalsContact CD-CG1 3.46Å; Q124-V142 HydrophobicContact CG-CG1 3.82Å; V142-N150 HydrophobicContact CG1-CB 4.35Å; V142-N150 PolarHBondContact N-O 3.1Å; V142-N150 PolarHBondContact O-N 3.36Å; V142-I152 HydrophobicContact CB-CB 4.34Å; V142-I152 HydrophobicContact CB-CD1 4.45Å; V142-I152 HydrophobicContact CB-CG2 4.32Å; V142-I152 HydrophobicContact CG1-CB 3.97Å; V142-I152 HydrophobicContact CG1-CG2 4.44Å
143T94.8Very high94.2Very high88 Ų8869.7 Ų69.754%0.5439%0.394SS..EExtended strand (participates in β ladder)trans-102.4118.2177.7-54.90000109.4V149T143-V149 HydrophobicContact CG2-CG2 4.4Å
144S86.4Confident94.2Very high48 Ų4868.4 Ų68.434%0.33639%0.393SS..  trans-66.4157.4174.6-176.60000111.6L146 G147 T148S144-L146 PolarHBondContact O-N 2.65Å; S144-G147 PolarHBondContact O-N 3.45Å; S144-T148 WeakPolarHBondContact CB-O 3.49Å; S144-T148 PolarHBondContact N-O 3.4Å
145Q84.6Confident94.1Very high203 Ų20366.5 Ų66.595%0.94938%0.381SS*.THydrogen-bonded Turntrans-55.7-24.2177.3-61.61779.300113.3G147Q145-G147 VanDerWaalsContact C-N 3.3Å
146L85.9Confident93.9Very high158 Ų15868.3 Ų68.383%0.82739%0.388SS*.THydrogen-bonded Turntrans-86.47.8176.6-58.3176.4000113.7S144 T148S144-L146 PolarHBondContact O-N 2.65Å; L146-T148 VanDerWaalsContact C-N 3.32Å; L146-T148 PolarHBondContact O-N 2.93Å
147G88.2Confident93.6Very high52 Ų5273.6 Ų73.654%0.53641%0.411SS..SBendtrans83.3-3.5-179.500000115.3S144 Q145 V149S144-G147 PolarHBondContact O-N 3.45Å; Q145-G147 VanDerWaalsContact C-N 3.3Å; G147-V149 PolarHBondContact O-N 3.33Å
148T91.2Very high93.4Very high63 Ų6370 Ų7039%0.38739%0.387SS..  trans-72.3117.9178.1-52.30000111.2S144 L146 N150S144-T148 WeakPolarHBondContact CB-O 3.49Å; S144-T148 PolarHBondContact N-O 3.4Å; L146-T148 VanDerWaalsContact C-N 3.32Å; L146-T148 PolarHBondContact O-N 2.93Å; T148-N150 WeakPolarHBondContact CG2-OD1 3.21Å
149V95.8Very high93.2Very high42 Ų4268.8 Ų68.826%0.25537%0.373SS..EExtended strand (participates in β ladder)trans-79.9127.8169.1-177.70000110.1K126 I141 T143 G147K126-V149 WeakPolarHBondContact CE-O 3.4Å; K126-V149 PolarHBondContact NZ-O 3.46Å; I141-V149 HydrophobicContact CB-CG1 4Å; I141-V149 HydrophobicContact CD1-CG1 3.9Å; I141-V149 HydrophobicContact CG2-CG1 4.15Å; T143-V149 HydrophobicContact CG2-CG2 4.4Å; G147-V149 PolarHBondContact O-N 3.33Å
150N97Very high92.8Very high9 Ų967.9 Ų67.95%0.04837%0.368CS..EExtended strand (participates in β ladder)trans-124.7156.6174.4-63.3-28.2000109.2W100 Q124 I141 V142 T148W100-N150 HydrophobicContact CH2-CB 4.36Å; W100-N150 VanDerWaalsContact CH2-ND2 3.31Å; W100-N150 WeakPolarHBondContact CH2-ND2 3.46Å; Q124-N150 HydrophobicContact CB-CB 4.44Å; Q124-N150 PolarHBondContact OE1-ND2 2.94Å; I141-N150 CarbonylContact C-O 3.59Å; I141-N150 VanDerWaalsContact CA-O 3.23Å; I141-N150 WeakPolarHBondContact CA-O 3.45Å; I141-N150 WeakPolarHBondContact CB-O 3.48Å; V142-N150 HydrophobicContact CG1-CB 4.35Å; V142-N150 PolarHBondContact N-O 3.1Å; V142-N150 PolarHBondContact O-N 3.36Å; T148-N150 WeakPolarHBondContact CG2-OD1 3.21Å
151N97.7Very high92.6Very high0 Ų069.7 Ų69.70%037%0.37CS..EExtended strand (participates in β ladder)trans-75.6157.7161.1-70.2111.7000110.4Q124 Y125 H135 D136 E139 P140Q124-N151 WeakPolarHBondContact CA-O 3.49Å; Y125-N151 HydrophobicContact CD1-CB 3.84Å; Y125-N151 HydrophobicContact CD2-CB 4Å; Y125-N151 HydrophobicContact CE1-CB 3.4Å; Y125-N151 VanDerWaalsContact CE1-CB 3.4Å; Y125-N151 HydrophobicContact CE2-CB 3.58Å; Y125-N151 HydrophobicContact CG-CB 4.14Å; Y125-N151 PolarHBondContact N-O 3.31Å; Y125-N151 PolarHBondContact O-N 3.08Å; H135-N151 VanDerWaalsContact CA-OD1 3.32Å; H135-N151 WeakPolarHBondContact CA-OD1 3.46Å; H135-N151 VanDerWaalsContact CB-OD1 3.28Å; H135-N151 WeakPolarHBondContact CB-OD1 3.34Å; D136-N151 PolarHBondContact N-OD1 3.24Å; D136-N151 PolarHBondContact O-ND2 2.8Å; E139-N151 PolarHBondContact O-ND2 3.26Å; P140-N151 VanDerWaalsContact O-CA 3.26Å; P140-N151 WeakPolarHBondContact O-CA 3.36Å; P140-N151 PolarHBondContact O-ND2 3.23Å; P140-N151 VanDerWaalsContact O-ND2 3.12Å
152I97.5Very high92.3Very high38 Ų3870.3 Ų70.320%0.19538%0.377CS..EExtended strand (participates in β ladder)trans-132131.2179.5179.4177.6000109.2E122 H123 P140 V142E122-I152 HydrophobicContact CG-CD1 3.55Å; E122-I152 HydrophobicContact CG-CG1 3.63Å; H123-I152 WeakPolarHBondContact O-CA 3.48Å; P140-I152 HydrophobicContact CB-CG2 3.71Å; P140-I152 PolarHBondContact O-N 2.91Å; V142-I152 HydrophobicContact CB-CB 4.34Å; V142-I152 HydrophobicContact CB-CD1 4.45Å; V142-I152 HydrophobicContact CB-CG2 4.32Å; V142-I152 HydrophobicContact CG1-CB 3.97Å; V142-I152 HydrophobicContact CG1-CG2 4.44Å
153I96.7Very high92.1Very high40 Ų4076.5 Ų76.521%0.20540%0.401CS..EExtended strand (participates in β ladder)trans-124.2137.6173-172.5164.1000109.7T80 F82 H123 Y125T80-I153 HydrophobicContact CG2-CD1 3.66Å; F82-I153 HydrophobicContact CE1-CG2 4.08Å; F82-I153 HydrophobicContact CZ-CG2 4.07Å; H123-I153 HydrophobicContact CB-CG2 3.93Å; H123-I153 PolarHBondContact N-O 3.26Å; H123-I153 PolarHBondContact O-N 3.18Å; Y125-I153 HydrophobicContact CD1-CG2 4.07Å; Y125-I153 HydrophobicContact CE1-CB 3.94Å; Y125-I153 HydrophobicContact CE1-CG2 3.96Å
154Q95.6Very high92Very high92 Ų9275.3 Ų75.343%0.4339%0.392SS..EExtended strand (participates in β ladder)trans-108.2111.7176.8-179.466.64900108.7G121 K156G121-Q154 VanDerWaalsContact C-NE2 3.29Å; G121-Q154 PolarHBondContact O-NE2 2.95Å; Q154-K156 HydrophobicContact CG-CD 4.41Å; Q154-K156 HydrophobicContact CG-CG 3.88Å
155V95.3Very high92.3Very high5 Ų574.2 Ų74.23%0.0339%0.385CS..EExtended strand (participates in β ladder)trans-89.8121.1175.5-1790000108.4T80 L118 E120 G121 F160T80-V155 HydrophobicContact CG2-CG2 4.21Å; L118-V155 HydrophobicContact CB-CG2 4.35Å; E120-V155 WeakPolarHBondContact CA-O 3.23Å; G121-V155 PolarHBondContact N-O 3.15Å; G121-V155 PolarHBondContact O-N 3.5Å; V155-F160 HydrophobicContact CG1-CE2 3.69Å; V155-F160 HydrophobicContact CG1-CZ 3.83Å
156K92.3Very high92.6Very high100 Ų10069.8 Ų69.844%0.43537%0.367SS..  trans-122160.1-178.9-54.6-178.2-178.71800111.9Q154 T158 D159 F160Q154-K156 HydrophobicContact CG-CD 4.41Å; Q154-K156 HydrophobicContact CG-CG 3.88Å; K156-T158 WeakPolarHBondContact CB-OG1 3.18Å; K156-T158 PolarHBondContact O-N 3.19Å; K156-D159 WeakPolarHBondContact CA-OD2 3.36Å; K156-D159 WeakPolarHBondContact CB-OD2 3.33Å; K156-D159 PolarHBondContact N-OD2 3.45Å; K156-D159 PolarHBondContact O-N 2.79Å; K156-F160 VanDerWaalsContact O-CD2 3.23Å; K156-F160 WeakPolarHBondContact O-CD2 3.27Å; K156-F160 VanDerWaalsContact O-CE2 3.27Å; K156-F160 WeakPolarHBondContact O-CE2 3.49Å
157K89.8Confident92.8Very high117 Ų11766.8 Ų66.851%0.50935%0.35SS..G310 helixtrans-52.7-42172.6-63.1-163.2172.6-173.10112.9R78 E120 D159R78-K157 PolarHBondContact NH1-O 2.71Å; E120-K157 HydrophobicContact CG-CG 4.49Å; E120-K157 WeakPolarHBondContact OE1-CE 3.49Å; E120-K157 WeakPolarHBondContact OE1-CG 3.31Å; E120-K157 WeakPolarHBondContact OE2-CE 3.44Å; E120-K157 WeakPolarHBondContact OE2-CG 3.45Å; K157-D159 PolarHBondContact O-N 3.44Å
158T90.8Very high92.8Very high35 Ų3565.8 Ų65.822%0.21533%0.334CS..G310 helixtrans-62.1-25-176.750.60000114.2K156 F160 D164 A165 V168K156-T158 WeakPolarHBondContact CB-OG1 3.18Å; K156-T158 PolarHBondContact O-N 3.19Å; T158-F160 PolarHBondContact O-N 3.34Å; T158-D164 HydrophobicContact CG2-CB 4.08Å; T158-A165 WeakPolarHBondContact O-CA 3.3Å; T158-A165 WeakPolarHBondContact O-CB 3.4Å; T158-A165 PolarHBondContact O-N 2.92Å; T158-A165 VanDerWaalsContact O-N 3.08Å; T158-V168 HydrophobicContact CG2-CG2 4.14Å
159D90.1Very high92.7Very high68 Ų6866.9 Ų66.936%0.36434%0.337SS..G310 helixtrans-78.8-3.7-169-47.6-27000112.5K156 K157K156-D159 WeakPolarHBondContact CA-OD2 3.36Å; K156-D159 WeakPolarHBondContact CB-OD2 3.33Å; K156-D159 PolarHBondContact N-OD2 3.45Å; K156-D159 PolarHBondContact O-N 2.79Å; K157-D159 PolarHBondContact O-N 3.44Å
160F89.3Confident92.4Very high62 Ų6267.6 Ų67.627%0.27234%0.344SS..THydrogen-bonded Turntrans-117.7-21.4-175-58-85.1000113.1R78 P79 V155 K156 T158R78-F160 HydrophobicContact CB-CD1 3.75Å; R78-F160 HydrophobicContact CB-CD2 4.22Å; R78-F160 HydrophobicContact CB-CE1 3.3Å; R78-F160 HydrophobicContact CB-CE2 3.82Å; R78-F160 HydrophobicContact CB-CG 4.2Å; R78-F160 HydrophobicContact CB-CZ 3.34Å; R78-F160 HydrophobicContact CG-CD2 4.37Å; R78-F160 HydrophobicContact CG-CE1 4.39Å; R78-F160 HydrophobicContact CG-CE2 4.22Å; R78-F160 HydrophobicContact CG-CZ 4.23Å; P79-F160 HydrophobicContact CG-CE1 4.38Å; V155-F160 HydrophobicContact CG1-CE2 3.69Å; V155-F160 HydrophobicContact CG1-CZ 3.83Å; K156-F160 VanDerWaalsContact O-CD2 3.23Å; K156-F160 WeakPolarHBondContact O-CD2 3.27Å; K156-F160 VanDerWaalsContact O-CE2 3.27Å; K156-F160 WeakPolarHBondContact O-CE2 3.49Å; T158-F160 PolarHBondContact O-N 3.34Å
161E91.8Very high91.8Very high118 Ų11872.9 Ų72.955%0.55137%0.369SS*.SBendtrans-90.8113.6168.1-71.1-55.6150.900108.9F163 D164 A165E161-F163 PolarHBondContact O-N 2.63Å; E161-F163 VanDerWaalsContact O-N 3.15Å; E161-D164 HydrophobicContact CB-CB 4.07Å; E161-D164 PolarHBondContact O-N 3.02Å; E161-A165 PolarHBondContact O-N 3.24Å
162V91.6Very high91Very high99 Ų9979.9 Ų79.960%0.640%0.399SS*.Hα-helixtrans-58-36.7-168.7178.80000112.2L166V162-L166 HydrophobicContact CG1-CD1 3.99Å; V162-L166 WeakPolarHBondContact O-CB 3.17Å; V162-L166 WeakPolarHBondContact O-CD1 3.37Å; V162-L166 WeakPolarHBondContact O-CG 3.41Å; V162-L166 PolarHBondContact O-N 3.22Å; V162-L166 VanDerWaalsContact O-N 3.1Å
163F92.2Very high89.7Confident170 Ų17082 Ų8275%0.74642%0.416SS*.Hα-helixtrans-70.2-38.2177.7-62.8-66.3000112.7E161 M167E161-F163 PolarHBondContact O-N 2.63Å; E161-F163 VanDerWaalsContact O-N 3.15Å; F163-M167 VanDerWaalsContact O-CB 3.29Å; F163-M167 WeakPolarHBondContact O-CB 3.47Å; F163-M167 PolarHBondContact O-N 3.3Å
164D92.3Very high87.8Confident63 Ų6383.7 Ų83.734%0.33743%0.431SS..Hα-helixtrans-70.9-41.6177.9-73.4-10.8000111.4T158 E161 M167 V168T158-D164 HydrophobicContact CG2-CB 4.08Å; E161-D164 HydrophobicContact CB-CB 4.07Å; E161-D164 PolarHBondContact O-N 3.02Å; D164-M167 PolarHBondContact O-N 3.24Å; D164-V168 WeakPolarHBondContact O-CB 3.29Å; D164-V168 WeakPolarHBondContact O-CG2 3.34Å; D164-V168 PolarHBondContact O-N 3.44Å
165A92.5Very high85.8Confident24 Ų2486 Ų8620%0.19845%0.447CS..Hα-helixtrans-58.2-49.8174.100000111.1T158 E161 M167 V168 D169T158-A165 WeakPolarHBondContact O-CA 3.3Å; T158-A165 WeakPolarHBondContact O-CB 3.4Å; T158-A165 PolarHBondContact O-N 2.92Å; T158-A165 VanDerWaalsContact O-N 3.08Å; E161-A165 PolarHBondContact O-N 3.24Å; A165-M167 PolarHBondContact O-N 3.45Å; A165-V168 PolarHBondContact O-N 3.34Å; A165-D169 WeakPolarHBondContact O-CB 2.98Å; A165-D169 PolarHBondContact O-N 3.02Å
166L91.7Very high83.9Confident110 Ų11088.2 Ų88.258%0.57646%0.46SS*.Hα-helixtrans-63.2-38.9177.1-71.8171.7000112.4V162 S170V162-L166 HydrophobicContact CG1-CD1 3.99Å; V162-L166 WeakPolarHBondContact O-CB 3.17Å; V162-L166 WeakPolarHBondContact O-CD1 3.37Å; V162-L166 WeakPolarHBondContact O-CG 3.41Å; V162-L166 PolarHBondContact O-N 3.22Å; V162-L166 VanDerWaalsContact O-N 3.1Å; L166-S170 WeakPolarHBondContact O-CB 3.02Å; L166-S170 PolarHBondContact O-N 3.04Å; L166-S170 PolarHBondContact O-OG 3.21Å
167M89.3Confident82Confident95 Ų9588.3 Ų88.347%0.46847%0.473SS..Hα-helixtrans-61.8-49.8174.7177171.753.500111.2F163 D164 A165 D169 S170 Q171F163-M167 VanDerWaalsContact O-CB 3.29Å; F163-M167 WeakPolarHBondContact O-CB 3.47Å; F163-M167 PolarHBondContact O-N 3.3Å; D164-M167 PolarHBondContact O-N 3.24Å; A165-M167 PolarHBondContact O-N 3.45Å; M167-D169 PolarHBondContact O-N 3.16Å; M167-S170 PolarHBondContact O-N 3.19Å; M167-S170 PolarHBondContact O-OG 3.06Å; M167-Q171 WeakPolarHBondContact O-CG 3.29Å; M167-Q171 PolarHBondContact O-N 3.14Å
168V89.1Confident80.2Confident31 Ų3188.5 Ų88.519%0.18848%0.476CS..Hα-helixtrans-61.1-42.4178.2168.20000111.6T158 D164 A165 Q171 K172T158-V168 HydrophobicContact CG2-CG2 4.14Å; D164-V168 WeakPolarHBondContact O-CB 3.29Å; D164-V168 WeakPolarHBondContact O-CG2 3.34Å; D164-V168 PolarHBondContact O-N 3.44Å; A165-V168 PolarHBondContact O-N 3.34Å; V168-Q171 PolarHBondContact O-N 2.64Å; V168-K172 PolarHBondContact O-N 3.38Å
169D89.1Confident78.4Confident86 Ų8693.2 Ų93.246%0.4650%0.499SS..Hα-helixtrans-72.1-35.7-179.9-77.8-12.3000113A165 M167 Q171 K172 C173A165-D169 WeakPolarHBondContact O-CB 2.98Å; A165-D169 PolarHBondContact O-N 3.02Å; M167-D169 PolarHBondContact O-N 3.16Å; D169-Q171 VanDerWaalsContact C-N 3.28Å; D169-Q171 PolarHBondContact O-N 3.32Å; D169-K172 PolarHBondContact O-N 3.32Å; D169-K172 WeakPolarHBondContact OD1-CE 3.23Å; D169-K172 IonicContact OD1-NZ 2.65Å; D169-K172 PolarHBondContact OD1-NZ 3.04Å; D169-C173 PolarHBondContact O-N 2.91Å
170S87.7Confident76.9Confident57 Ų5795.6 Ų95.640%0.39952%0.522SS..Hα-helixtrans-59.5-39.9171.671.60000111.9L166 M167 K172 C173 V176L166-S170 WeakPolarHBondContact O-CB 3.02Å; L166-S170 PolarHBondContact O-N 3.04Å; L166-S170 PolarHBondContact O-OG 3.21Å; M167-S170 PolarHBondContact O-N 3.19Å; M167-S170 PolarHBondContact O-OG 3.06Å; S170-K172 PolarHBondContact O-N 2.74Å; S170-C173 CarbonylContact O-C 3.09Å; S170-C173 PolarHBondContact O-N 2.88Å; S170-V176 WeakPolarHBondContact O-CG2 3.1Å
171Q84.7Confident75.5Confident121 Ų12195.2 Ų95.257%0.56553%0.526SS*.Hα-helixtrans-68.7-32.3178-69.2173.611.900113M167 V168 D169 C173 S174M167-Q171 WeakPolarHBondContact O-CG 3.29Å; M167-Q171 PolarHBondContact O-N 3.14Å; V168-Q171 PolarHBondContact O-N 2.64Å; D169-Q171 VanDerWaalsContact C-N 3.28Å; D169-Q171 PolarHBondContact O-N 3.32Å; Q171-C173 PolarHBondContact O-N 3Å; Q171-S174 VanDerWaalsContact O-CB 3.3Å; Q171-S174 WeakPolarHBondContact O-CB 3.34Å; Q171-S174 PolarHBondContact O-N 3.42Å; Q171-S174 PolarHBondContact O-OG 3.19Å
172K81.4Confident74.6Confident147 Ų14795.3 Ų95.364%0.63954%0.54SS*.Hα-helixtrans-64.5-30.6172.4-67.8171.3-168.1159.60112V168 D169 S170 S174V168-K172 PolarHBondContact O-N 3.38Å; D169-K172 PolarHBondContact O-N 3.32Å; D169-K172 WeakPolarHBondContact OD1-CE 3.23Å; D169-K172 IonicContact OD1-NZ 2.65Å; D169-K172 PolarHBondContact OD1-NZ 3.04Å; S170-K172 PolarHBondContact O-N 2.74Å; K172-S174 PolarHBondContact O-N 3.29Å
173C70.8Confident74Confident81 Ų8193.4 Ų93.455%0.54753%0.53SS..THydrogen-bonded Turntrans-87.239.3177.8-156.30000112D169 S170 Q171 D175 V176D169-C173 PolarHBondContact O-N 2.91Å; S170-C173 CarbonylContact O-C 3.09Å; S170-C173 PolarHBondContact O-N 2.88Å; Q171-C173 PolarHBondContact O-N 3Å; C173-D175 PolarHBondContact O-N 3.38Å; C173-V176 HydrophobicContact CB-CG1 4.37Å; C173-V176 WeakPolarHBondContact O-CG1 3.43Å; C173-V176 PolarHBondContact O-N 2.95Å
174S55.7Low73.3Confident76 Ų7688.6 Ų88.653%0.53152%0.516SS..G310 helixtrans-63.56.4-160.7-0.20000117.9Q171 K172 V176 S177Q171-S174 VanDerWaalsContact O-CB 3.3Å; Q171-S174 WeakPolarHBondContact O-CB 3.34Å; Q171-S174 PolarHBondContact O-N 3.42Å; Q171-S174 PolarHBondContact O-OG 3.19Å; K172-S174 PolarHBondContact O-N 3.29Å; S174-V176 PolarHBondContact O-N 3.19Å; S174-S177 PolarHBondContact O-N 3.06Å
175D53.5Low72.8Confident141 Ų14187.5 Ų87.575%0.75452%0.519SS*.G310 helixtrans-57.5-16.2152.6-144.922.7000111.4C173 S177C173-D175 PolarHBondContact O-N 3.38Å; D175-S177 VanDerWaalsContact C-N 3.29Å; D175-S177 PolarHBondContact O-N 3.33Å
176V55.8Low72.6Confident51 Ų5191.7 Ų91.731%0.30954%0.544SS..G310 helixtrans-69.5-11.4173.1-62.80000115.5S170 C173 S174 E178 L179 S180S170-V176 WeakPolarHBondContact O-CG2 3.1Å; C173-V176 HydrophobicContact CB-CG1 4.37Å; C173-V176 WeakPolarHBondContact O-CG1 3.43Å; C173-V176 PolarHBondContact O-N 2.95Å; S174-V176 PolarHBondContact O-N 3.19Å; V176-E178 PolarHBondContact O-N 3.4Å; V176-L179 HydrophobicContact CG1-CD1 4.27Å; V176-L179 PolarHBondContact O-N 3.21Å; V176-S180 PolarHBondContact O-N 3.39Å
177S53.5Low72.5Confident102 Ų10296 Ų9671%0.71355%0.554SS**G310 helixtrans-60.7-29.5175.3-1000000112.2S174 D175 L179S174-S177 PolarHBondContact O-N 3.06Å; D175-S177 VanDerWaalsContact C-N 3.29Å; D175-S177 PolarHBondContact O-N 3.33Å; S177-L179 VanDerWaalsContact C-N 3.3Å
178E51.6Low72.5Confident121 Ų12197.9 Ų97.957%0.56556%0.562SS**G310 helixtrans-74.3-17.8173.7-66.8-128143.600113.1V176 P184V176-E178 PolarHBondContact O-N 3.4Å; E178-P184 HydrophobicContact CB-CB 4.02Å; E178-P184 WeakPolarHBondContact O-CA 3.42Å; E178-P184 VanDerWaalsContact O-CB 3.23Å; E178-P184 WeakPolarHBondContact O-CB 3.43Å; E178-P184 VanDerWaalsContact O-CG 3.29Å; E178-P184 WeakPolarHBondContact O-CG 3.31Å
179L53.7Low72.8Confident134 Ų134106 Ų10670%0.70260%0.598SS**THydrogen-bonded Turntrans-95.4-12.9-174.1-57.8-178.8000114.2V176 S177 S181V176-L179 HydrophobicContact CG1-CD1 4.27Å; V176-L179 PolarHBondContact O-N 3.21Å; S177-L179 VanDerWaalsContact C-N 3.3Å; L179-S181 VanDerWaalsContact C-N 3.32Å
180S56.7Low73Confident119 Ų119109.2 Ų109.283%0.83261%0.61SS**SBendtrans-69.9-29.3-179.3-168.80000112.7V176V176-S180 PolarHBondContact O-N 3.39Å
181S61.7Low73.1Confident53 Ų53111.9 Ų111.937%0.37163%0.626SS.*SBendtrans-113139170.364.70000110.8L179 P183L179-S181 VanDerWaalsContact C-N 3.32Å; S181-P183 CarbonylContact C-O 3.56Å; S181-P183 WeakPolarHBondContact CB-O 3.02Å; S181-P183 CarbonylContact O-C 3.2Å; S181-P183 VanDerWaalsContact O-O 3.06Å; S181-P183 PolarHBondContact OG-O 3.47Å
182S73.1Confident73.2Confident120 Ų120112.9 Ų112.984%0.83963%0.625SS**SBendtrans-113.7111.9163.7-178.20000107.5
183P78.1Confident73.5Confident59 Ų59112.8 Ų112.838%0.38363%0.63SS.*SBendcis-72.51602.732.2-36.4000114S181 Y187S181-P183 CarbonylContact C-O 3.56Å; S181-P183 WeakPolarHBondContact CB-O 3.02Å; S181-P183 CarbonylContact O-C 3.2Å; S181-P183 VanDerWaalsContact O-O 3.06Å; S181-P183 PolarHBondContact OG-O 3.47Å; P183-Y187 HydrophobicContact CG-CE1 4.15Å
184P78.1Confident74Confident70 Ų70112.6 Ų112.646%0.45563%0.63SS.*SBendtrans-57.7137.5165.8-23.533.7000111.7E178E178-P184 HydrophobicContact CB-CB 4.02Å; E178-P184 WeakPolarHBondContact O-CA 3.42Å; E178-P184 VanDerWaalsContact O-CB 3.23Å; E178-P184 WeakPolarHBondContact O-CB 3.43Å; E178-P184 VanDerWaalsContact O-CG 3.29Å; E178-P184 WeakPolarHBondContact O-CG 3.31Å
185G81.9Confident75.4Confident39 Ų39114 Ų11440%0.40263%0.626SS.*SBendtrans76.2-178.4175.800000115.4
186P87.6Confident76.6Confident112 Ų112111.2 Ų111.273%0.72762%0.616SS**  trans-76.1148.1-178.531.6-35000112.2H188P186-H188 PolarHBondContact O-CD2 2.91Å; P186-H188 PolarHBondContact O-N 3.32Å
187Y89.8Confident77.6Confident200 Ų200116 Ų11678%0.78464%0.635SS**  trans-61.3126.3169.4-71.2-87.9000111P183P183-Y187 HydrophobicContact CG-CE1 4.15Å
188H89.8Confident78.7Confident136 Ų136113.9 Ų113.963%0.6361%0.614SS**  trans-129.4163.3175.358.780.9000111.4P186 E190P186-H188 PolarHBondContact O-CD2 2.91Å; P186-H188 PolarHBondContact O-N 3.32Å; H188-E190 PolarHBondContact CE1-O 3.08Å; H188-E190 PolarHBondContact ND1-O 3.26Å
189Q94.6Very high79.5Confident202 Ų202117 Ų11794%0.94462%0.621SS**  trans-98.3-5.9176.6-64.8-175.9-2.900113.2
190E92.9Very high80.6Confident153 Ų153119.6 Ų119.672%0.71563%0.627SS**SBendtrans-66.2129.3177.3-60.6-171.216900110.5H188H188-E190 PolarHBondContact CE1-O 3.08Å; H188-E190 PolarHBondContact ND1-O 3.26Å
191P89.9Confident82Confident112 Ų112121.4 Ų121.473%0.72762%0.619SS**PPolyproline II helixtrans-71.6141.2-179.829.5-34.6000111.1I193P191-I193 PolarHBondContact O-N 2.85Å
192Y87.8Confident83.3Confident142 Ų142123 Ų12356%0.55764%0.636SS**PPolyproline II helixtrans-64.1128.8176.5-175.3-105.4000111.9E198Y192-E198 WeakPolarHBondContact CE1-OE2 3.4Å; Y192-E198 PolarHBondContact OH-OE1 3.32Å; Y192-E198 PolarHBondContact OH-OE2 3.07Å
193I87.5Confident84.1Confident145 Ų145122.8 Ų122.874%0.74463%0.632SS**  trans-95.9111.6178.1-57.6175.8000108.9P191 K195P191-I193 PolarHBondContact O-N 2.85Å; I193-K195 PolarHBondContact O-N 3.16Å
194S81.8Confident84.9Confident78 Ų78126 Ų12655%0.54565%0.653SS.*  trans-59.3118.7-177.9-50.80000113
195K83.9Confident85.9Confident104 Ų104130.3 Ų130.345%0.45267%0.67SS.*  trans-70.2150.5178.1-63.1174.6-172.3164.80111.4I193 E197 E198 R199I193-K195 PolarHBondContact O-N 3.16Å; K195-E197 VanDerWaalsContact C-N 3.26Å; K195-E197 PolarHBondContact O-N 2.98Å; K195-E198 HydrophobicContact CB-CG 4.24Å; K195-E198 PolarHBondContact N-OE2 3.45Å; K195-E198 PolarHBondContact O-N 3.07Å; K195-R199 PolarHBondContact O-N 2.79Å
196P78Confident86.6Confident84 Ų84133.4 Ų133.455%0.54568%0.677SS.*G310 helixtrans-55.8-38.3177.8-25.535.2000113.6E198 R199P196-E198 PolarHBondContact O-N 2.7Å; P196-R199 PolarHBondContact O-N 3.48Å
197E78.5Confident87.1Confident152 Ų152131 Ų13171%0.7166%0.661SS**G310 helixtrans-64.1-23.6177.5-64.4128-138.900113.9K195K195-E197 VanDerWaalsContact C-N 3.26Å; K195-E197 PolarHBondContact O-N 2.98Å
198E76.3Confident87.4Confident57 Ų57125.6 Ų125.627%0.26665%0.651SS.*G310 helixtrans-93.5-15.4-176.3-67.8167.7176.200112.7Y192 K195 P196 F200 K201Y192-E198 WeakPolarHBondContact CE1-OE2 3.4Å; Y192-E198 PolarHBondContact OH-OE1 3.32Å; Y192-E198 PolarHBondContact OH-OE2 3.07Å; K195-E198 HydrophobicContact CB-CG 4.24Å; K195-E198 PolarHBondContact N-OE2 3.45Å; K195-E198 PolarHBondContact O-N 3.07Å; P196-E198 PolarHBondContact O-N 2.7Å; E198-F200 PolarHBondContact O-N 2.81Å; E198-K201 PolarHBondContact O-N 2.82Å
199R68.7Low87.8Confident187 Ų187123.2 Ų123.271%0.70664%0.64SS**THydrogen-bonded Turntrans-59.2-17.7-176.8-67.2-176.4-179.1-175.90.2114.6K195 P196K195-R199 PolarHBondContact O-N 2.79Å; P196-R199 PolarHBondContact O-N 3.48Å
200F75.2Confident87.9Confident188 Ų188114.9 Ų114.983%0.82560%0.602SS**THydrogen-bonded Turntrans-103.4-0.6179.4-55.5-74.8000113.6E198 A202E198-F200 PolarHBondContact O-N 2.81Å; F200-A202 PolarHBondContact O-N 3.47Å
201K85.9Confident88.1Confident156 Ų156113.2 Ų113.268%0.67860%0.597SS**  trans-85.8108.2175.9-63.9-176.7-176.8175.50109.3E198E198-K201 PolarHBondContact O-N 2.82Å
202A89.3Confident88.4Confident88 Ų88112.7 Ų112.773%0.72759%0.585SS**PPolyproline II helixtrans-63.7148.7169.400000110.5F200F200-A202 PolarHBondContact O-N 3.47Å
203P91.5Very high88.7Confident114 Ų114107.4 Ų107.474%0.7457%0.567SS**PPolyproline II helixtrans-61.4153.3171.727.8-35.1000110.8
204P94.8Very high89.1Confident127 Ų127100.8 Ų100.883%0.82553%0.533SS*.PPolyproline II helixtrans-61143.217926.3-34.7000111.4
205I97.5Very high89.8Confident160 Ų160100.4 Ų100.482%0.82153%0.525SS*.PPolyproline II helixtrans-64.6134.8176.8-59.2172000109.1P207I205-P207 WeakPolarHBondContact O-CD 3.34Å
206L97.1Very high90.4Very high104 Ų104101.2 Ų101.255%0.54553%0.534SS..PPolyproline II helixtrans-56.3121.5177.9179.566.8000111L210 L211L206-L210 HydrophobicContact CD1-CB 4.44Å; L206-L210 HydrophobicContact CD1-CD1 4.01Å; L206-L211 HydrophobicContact CD2-CD2 3.77Å; L206-L211 HydrophobicContact CD2-CG 4.33Å
207P97.8Very high91.1Very high62 Ų62101.8 Ų101.840%0.40353%0.528SS..PPolyproline II helixtrans-62.7126.6176.4-24.835.4000111.2I205 H209 L210I205-P207 WeakPolarHBondContact O-CD 3.34Å; P207-H209 PolarHBondContact O-N 3.06Å; P207-L210 PolarHBondContact O-N 3.37Å
208P97.6Very high91.7Very high87 Ų87102.5 Ų102.557%0.56554%0.537SS*.G310 helixtrans-64.7-18.2-173.225.2-35.1000113.6L210 L211P208-L210 PolarHBondContact O-N 2.93Å; P208-L211 WeakPolarHBondContact O-CB 3.37Å; P208-L211 PolarHBondContact O-N 3.1Å; P208-L211 VanDerWaalsContact O-N 3.16Å
209H97.3Very high92.3Very high86 Ų86102.6 Ų102.640%0.39854%0.541SS..G310 helixtrans-57.4-34.2172.4-61.1104.3000113P207 L211 Q212P207-H209 PolarHBondContact O-N 3.06Å; H209-L211 PolarHBondContact O-N 3.45Å; H209-Q212 PolarHBondContact O-N 2.89Å
210L97.4Very high93.2Very high27 Ų2795.9 Ų95.914%0.14153%0.53CS..G310 helixtrans-71.9-16.7-179.4-60.5-177.1000112.9L206 P207 P208 Q212 M235 H238 Y240L206-L210 HydrophobicContact CD1-CB 4.44Å; L206-L210 HydrophobicContact CD1-CD1 4.01Å; P207-L210 PolarHBondContact O-N 3.37Å; P208-L210 PolarHBondContact O-N 2.93Å; L210-Q212 VanDerWaalsContact C-N 3.31Å; L210-M235 HydrophobicContact CD2-CB 4.39Å; L210-H238 HydrophobicContact CD2-CB 4.46Å; L210-Y240 WeakPolarHBondContact O-CE1 3.43Å; L210-Y240 PolarHBondContact O-OH 3.38Å
211L96.9Very high93.8Very high118 Ų11895.7 Ų95.762%0.61854%0.536SS*.G310 helixtrans-79-12.8175-57.5174.8000112.8L206 P208 H209 V213L206-L211 HydrophobicContact CD2-CD2 3.77Å; L206-L211 HydrophobicContact CD2-CG 4.33Å; P208-L211 WeakPolarHBondContact O-CB 3.37Å; P208-L211 PolarHBondContact O-N 3.1Å; P208-L211 VanDerWaalsContact O-N 3.16Å; H209-L211 PolarHBondContact O-N 3.45Å; L211-V213 VanDerWaalsContact C-N 3.25Å; L211-V213 PolarHBondContact O-N 2.84Å
212Q94.6Very high94.1Very high100 Ų10094.3 Ų94.347%0.46755%0.546SS..SBendtrans-85.355.7-176.3-59-1728.300112.8H209 L210 I214 M235H209-Q212 PolarHBondContact O-N 2.89Å; L210-Q212 VanDerWaalsContact C-N 3.31Å; Q212-I214 PolarHBondContact O-N 2.95Å; Q212-M235 WeakPolarHBondContact O-CE 3.42Å
213V95.5Very high94.2Very high32 Ų3292.6 Ų92.619%0.19453%0.528CS..  trans-50.1119.8-174.9-171.20000111.8L211 L215 N216 Y240L211-V213 VanDerWaalsContact C-N 3.25Å; L211-V213 PolarHBondContact O-N 2.84Å; V213-L215 VanDerWaalsContact C-N 3.34Å; V213-L215 HydrophobicContact CG1-CB 4.48Å; V213-L215 PolarHBondContact O-N 2.88Å; V213-N216 HydrophobicContact CB-CB 4.08Å; V213-N216 HydrophobicContact CG1-CB 4.38Å; V213-N216 PolarHBondContact O-N 3.1Å; V213-Y240 HydrophobicContact CB-CD1 4.45Å; V213-Y240 HydrophobicContact CB-CE1 4.42Å; V213-Y240 HydrophobicContact CG1-CD1 4.02Å; V213-Y240 HydrophobicContact CG1-CE1 4.41Å; V213-Y240 HydrophobicContact CG1-CG 4.43Å; V213-Y240 HydrophobicContact CG2-CD1 3.86Å; V213-Y240 HydrophobicContact CG2-CE1 3.78Å
214I95.9Very high94.4Very high5 Ų591.7 Ų91.73%0.02652%0.517CS..G310 helixtrans-64.6-36-175.6-172.6165.4000113.2Q212 N216 K217 L228 P229 P231 M235 T263Q212-I214 PolarHBondContact O-N 2.95Å; I214-N216 PolarHBondContact O-N 3.01Å; I214-K217 PolarHBondContact O-N 3.43Å; I214-L228 HydrophobicContact CD1-CB 4.04Å; I214-L228 HydrophobicContact CD1-CD1 4.41Å; I214-L228 HydrophobicContact CG1-CB 4.32Å; I214-L228 HydrophobicContact CG1-CD1 4.45Å; I214-P229 HydrophobicContact CD1-CG 4.43Å; I214-P229 VanDerWaalsContact CD1-O 3.32Å; I214-P229 WeakPolarHBondContact CD1-O 3.44Å; I214-P229 HydrophobicContact CG1-CG 4.17Å; I214-P231 HydrophobicContact CD1-CB 4Å; I214-M235 HydrophobicContact CB-CE 4.31Å; I214-M235 HydrophobicContact CB-SD 4.21Å; I214-M235 HydrophobicContact CG2-SD 4.39Å; I214-T263 HydrophobicContact CG2-CG2 4.44Å
215L96.3Very high94.4Very high71 Ų7191.3 Ų91.337%0.37252%0.515SS..G310 helixtrans-74.7-10.5178.7-63.2177.7000113.9V213 L228 T263 L265V213-L215 VanDerWaalsContact C-N 3.34Å; V213-L215 HydrophobicContact CG1-CB 4.48Å; V213-L215 PolarHBondContact O-N 2.88Å; L215-L228 HydrophobicContact CD2-CD1 3.85Å; L215-L228 HydrophobicContact CD2-CD2 4.19Å; L215-T263 HydrophobicContact CD1-CG2 4.05Å; L215-T263 HydrophobicContact CD2-CG2 3.91Å; L215-T263 HydrophobicContact CG-CG2 4.05Å; L215-L265 HydrophobicContact CD1-CD1 3.96Å; L215-L265 HydrophobicContact CD1-CD2 4.3Å; L215-L265 HydrophobicContact CD1-CG 4.2Å; L215-L265 HydrophobicContact CD2-CD1 4.42Å
216N95.5Very high94.2Very high120 Ų12087.7 Ų87.764%0.64251%0.508SS*.G310 helixtrans-96.77.3175.5-62.93.1000111.9V213 I214V213-N216 HydrophobicContact CB-CB 4.08Å; V213-N216 HydrophobicContact CG1-CB 4.38Å; V213-N216 PolarHBondContact O-N 3.1Å; I214-N216 PolarHBondContact O-N 3.01Å
217K92.7Very high94.2Very high96 Ų9687.6 Ų87.642%0.41751%0.508SS..SBendtrans-97.8125.1176.6-63.7-177-179.4-177.70109.3I214 P229I214-K217 PolarHBondContact O-N 3.43Å; K217-P229 HydrophobicContact CD-CG 4.38Å
218D91.3Very high94.1Very high168 Ų16888 Ų8890%0.89851%0.506SS*.PPolyproline II helixtrans-62.6135.5172-60.1-57.7000110.7
219T89.5Confident94Very high58 Ų5886.5 Ų86.536%0.35650%0.497SS..PPolyproline II helixtrans-98.3155.3170.853.60000110I221T219-I221 PolarHBondContact O-N 2.97Å
220G88Confident94Very high46 Ų4689.3 Ų89.347%0.47451%0.51SS..PPolyproline II helixtrans-66.6132.6-179.100000111.3S222 C223G220-S222 PolarHBondContact O-N 3.14Å; G220-C223 PolarHBondContact O-N 2.89Å; G220-C223 PolarHBondContact O-SG 3.36Å
221I88.4Confident94Very high184 Ų18488.6 Ų88.694%0.94451%0.507SS*.THydrogen-bonded Turntrans-55.9-19.4-176.5-56164.5000112.9T219T219-I221 PolarHBondContact O-N 2.97Å
222S91.8Very high94Very high127 Ų12786.1 Ų86.189%0.88849%0.494SS*.THydrogen-bonded Turntrans-86.5-4.7178.460.70000115.8G220G220-S222 PolarHBondContact O-N 3.14Å
223C91.6Very high94.2Very high53 Ų5387.6 Ų87.636%0.35850%0.501SS..SBendtrans-102.6163176.869.70000112.8G220G220-C223 PolarHBondContact O-N 2.89Å; G220-C223 PolarHBondContact O-SG 3.36Å
224D94.6Very high94.3Very high94 Ų9488.8 Ų88.850%0.50351%0.508SS..  trans-58.2127.6174.5179.5-25.6000110.3A226 L227D224-A226 PolarHBondContact O-N 3.16Å; D224-A226 VanDerWaalsContact O-N 3.12Å; D224-A226 WeakPolarHBondContact OD1-CB 3.47Å; D224-A226 PolarHBondContact OD1-N 3.21Å; D224-L227 HydrophobicContact CB-CD1 3.87Å; D224-L227 HydrophobicContact CB-CG 3.94Å; D224-L227 WeakPolarHBondContact O-CB 3.41Å; D224-L227 PolarHBondContact O-N 3.33Å
225P94.1Very high94.4Very high120 Ų12088.9 Ų88.978%0.77951%0.508SS*.THydrogen-bonded Turntrans-58.5-20.1-179.9-2635.2000115.6L227P225-L227 VanDerWaalsContact C-N 3.33Å
226A95.1Very high94.4Very high83 Ų8386.2 Ų86.269%0.68650%0.495SS*.THydrogen-bonded Turntrans-82.2-9.317600000113.4D224D224-A226 PolarHBondContact O-N 3.16Å; D224-A226 VanDerWaalsContact O-N 3.12Å; D224-A226 WeakPolarHBondContact OD1-CB 3.47Å; D224-A226 PolarHBondContact OD1-N 3.21Å
227L95.9Very high94.6Very high103 Ų10386.2 Ų86.254%0.53950%0.495SS..  trans-85.6133.1177.6-64.9176.2000111.4D224 P225D224-L227 HydrophobicContact CB-CD1 3.87Å; D224-L227 HydrophobicContact CB-CG 3.94Å; D224-L227 WeakPolarHBondContact O-CB 3.41Å; D224-L227 PolarHBondContact O-N 3.33Å; P225-L227 VanDerWaalsContact C-N 3.33Å
228L96.4Very high94.8Very high69 Ų6985.5 Ų85.536%0.36149%0.493SS..  trans-114.5155173.4-65.7175.4000109.9I214 L215 T263I214-L228 HydrophobicContact CD1-CB 4.04Å; I214-L228 HydrophobicContact CD1-CD1 4.41Å; I214-L228 HydrophobicContact CG1-CB 4.32Å; I214-L228 HydrophobicContact CG1-CD1 4.45Å; L215-L228 HydrophobicContact CD2-CD1 3.85Å; L215-L228 HydrophobicContact CD2-CD2 4.19Å; L228-T263 HydrophobicContact CD1-CG2 4.26Å; L228-T263 WeakPolarHBondContact CD1-OG1 3.49Å
229P95.8Very high95.2Very high57 Ų5783.2 Ų83.237%0.3748%0.48SS..PPolyproline II helixtrans-63.5164.6172.328.6-36.1000111.7I214 K217 P231I214-P229 HydrophobicContact CD1-CG 4.43Å; I214-P229 VanDerWaalsContact CD1-O 3.32Å; I214-P229 WeakPolarHBondContact CD1-O 3.44Å; I214-P229 HydrophobicContact CG1-CG 4.17Å; K217-P229 HydrophobicContact CD-CG 4.38Å; P229-P231 WeakPolarHBondContact O-CD 3.47Å
230E96.8Very high95.6Very high145 Ų14582.1 Ų82.168%0.67847%0.469SS*.PPolyproline II helixtrans-64.2125.9177-175.5165.6-164.500111.3Y261E230-Y261 HydrophobicContact CG-CD2 4.4Å; E230-Y261 HydrophobicContact CG-CE2 3.74Å; E230-Y261 VanDerWaalsContact OE1-CE2 3.31Å; E230-Y261 WeakPolarHBondContact OE1-CE2 3.43Å; E230-Y261 PolarHBondContact OE1-OH 3.45Å
231P97.4Very high96Very high12 Ų1283.3 Ų83.38%0.07847%0.474CS..PPolyproline II helixtrans-74.7149.1176.330.4-35.9000111.8I214 P229 M235 L236 T254 Y261I214-P231 HydrophobicContact CD1-CB 4Å; P229-P231 WeakPolarHBondContact O-CD 3.47Å; P231-M235 HydrophobicContact CB-CG 4.23Å; P231-M235 HydrophobicContact CB-SD 3.78Å; P231-L236 HydrophobicContact CB-CD2 4.14Å; P231-L236 HydrophobicContact CG-CD2 3.91Å; P231-T254 HydrophobicContact CB-CG2 4.3Å; P231-T254 HydrophobicContact CG-CG2 4.07Å; P231-Y261 HydrophobicContact CG-CD1 3.65Å; P231-Y261 HydrophobicContact CG-CD2 3.9Å; P231-Y261 HydrophobicContact CG-CE1 4.11Å; P231-Y261 HydrophobicContact CG-CE2 4.34Å; P231-Y261 HydrophobicContact CG-CG 3.52Å
232N97.4Very high96.4Very high65 Ų6579.6 Ų79.635%0.34846%0.456SS..PPolyproline II helixtrans-67.7134.6166-173.7-29.6000109.2V234 M235N232-V234 PolarHBondContact O-N 3.28Å; N232-V234 PolarHBondContact OD1-N 3.1Å; N232-V234 VanDerWaalsContact OD1-N 3.14Å; N232-M235 HydrophobicContact CB-CG 4.47Å; N232-M235 WeakPolarHBondContact O-CG 3.32Å; N232-M235 PolarHBondContact O-N 2.79Å
233H97.8Very high96.7Very high131 Ų13178.7 Ų78.761%0.60645%0.449SS*.G310 helixtrans-55.2-28.4-179.171.1-86.3000113.9M235 L236H233-M235 VanDerWaalsContact C-N 3.35Å; H233-M235 PolarHBondContact O-N 2.82Å; H233-L236 HydrophobicContact CB-CD1 4.38Å; H233-L236 WeakPolarHBondContact O-CB 3.49Å; H233-L236 WeakPolarHBondContact O-CG 3.42Å; H233-L236 PolarHBondContact O-N 2.72Å
234V98Very high96.9Very high57 Ų5780.8 Ų80.835%0.34546%0.456SS..G310 helixtrans-69.5-25.1179.6-177.70000113.3N232 H238N232-V234 PolarHBondContact O-N 3.28Å; N232-V234 PolarHBondContact OD1-N 3.1Å; N232-V234 VanDerWaalsContact OD1-N 3.14Å; V234-H238 PolarHBondContact O-CD2 2.9Å; V234-H238 PolarHBondContact O-NE2 2.86Å
235M97.3Very high97Very high7 Ų783.4 Ų83.43%0.03446%0.463CS..G310 helixtrans-88.2-3.4177.961.7144.941.500114.1L210 Q212 I214 P231 N232 H233 H238L210-M235 HydrophobicContact CD2-CB 4.39Å; Q212-M235 WeakPolarHBondContact O-CE 3.42Å; I214-M235 HydrophobicContact CB-CE 4.31Å; I214-M235 HydrophobicContact CB-SD 4.21Å; I214-M235 HydrophobicContact CG2-SD 4.39Å; P231-M235 HydrophobicContact CB-CG 4.23Å; P231-M235 HydrophobicContact CB-SD 3.78Å; N232-M235 HydrophobicContact CB-CG 4.47Å; N232-M235 WeakPolarHBondContact O-CG 3.32Å; N232-M235 PolarHBondContact O-N 2.79Å; H233-M235 VanDerWaalsContact C-N 3.35Å; H233-M235 PolarHBondContact O-N 2.82Å; M235-H238 PolarHBondContact O-N 3.11Å
236L97.9Very high97Very high16 Ų1685.5 Ų85.58%0.08447%0.468CS..THydrogen-bonded Turntrans-68.8147.1179.3-58.5175.4000110.2P231 H233 H238 T254 R256 Y261P231-L236 HydrophobicContact CB-CD2 4.14Å; P231-L236 HydrophobicContact CG-CD2 3.91Å; H233-L236 HydrophobicContact CB-CD1 4.38Å; H233-L236 WeakPolarHBondContact O-CB 3.49Å; H233-L236 WeakPolarHBondContact O-CG 3.42Å; H233-L236 PolarHBondContact O-N 2.72Å; L236-H238 PolarHBondContact O-CD2 2.98Å; L236-H238 PolarHBondContact O-N 2.88Å; L236-T254 WeakPolarHBondContact CA-O 3.39Å; L236-T254 HydrophobicContact CD2-CG2 3.6Å; L236-R256 HydrophobicContact CD1-CB 4.24Å; L236-Y261 HydrophobicContact CD1-CD1 4.16Å; L236-Y261 HydrophobicContact CD1-CE1 3.92Å; L236-Y261 HydrophobicContact CD2-CD1 3.96Å; L236-Y261 HydrophobicContact CD2-CE1 4.43Å
237N98Very high97Very high120 Ų12083.6 Ų83.664%0.64246%0.456SS*.THydrogen-bonded Turntrans631.8-176.7-42.3-34.8000115.2T254 H255N237-T254 PolarHBondContact N-O 2.94Å; N237-H255 PolarHBondContact OD1-CD2 3.29Å
238H98.3Very high97.1Very high81 Ų8180.9 Ų80.938%0.37544%0.443SS..  trans-80.3137.6169.8-74.1-90.6000111.1L210 V234 M235 L236 Y240L210-H238 HydrophobicContact CD2-CB 4.46Å; V234-H238 PolarHBondContact O-CD2 2.9Å; V234-H238 PolarHBondContact O-NE2 2.86Å; M235-H238 PolarHBondContact O-N 3.11Å; L236-H238 PolarHBondContact O-CD2 2.98Å; L236-H238 PolarHBondContact O-N 2.88Å; H238-Y240 HydrophobicContact CB-CE2 4.18Å
239L98.3Very high97.2Very high119 Ų11980.5 Ų80.562%0.62344%0.441SS*.EExtended strand (participates in β ladder)trans-83.4125.5177.5-172.769.9000110.6L251L239-L251 HydrophobicContact CD1-CB 4.17Å; L239-L251 HydrophobicContact CD1-CD2 4.41Å; L239-L251 HydrophobicContact CD2-CD2 4.35Å
240Y98.1Very high97.3Very high36 Ų3678.8 Ų78.814%0.14143%0.429CS..EExtended strand (participates in β ladder)trans-108.4142.9167.9-65.9-84.1000109L210 V213 H238 S252L210-Y240 WeakPolarHBondContact O-CE1 3.43Å; L210-Y240 PolarHBondContact O-OH 3.38Å; V213-Y240 HydrophobicContact CB-CD1 4.45Å; V213-Y240 HydrophobicContact CB-CE1 4.42Å; V213-Y240 HydrophobicContact CG1-CD1 4.02Å; V213-Y240 HydrophobicContact CG1-CE1 4.41Å; V213-Y240 HydrophobicContact CG1-CG 4.43Å; V213-Y240 HydrophobicContact CG2-CD1 3.86Å; V213-Y240 HydrophobicContact CG2-CE1 3.78Å; H238-Y240 HydrophobicContact CB-CE2 4.18Å; Y240-S252 PolarHBondContact N-O 3.12Å; Y240-S252 PolarHBondContact O-N 2.83Å; Y240-S252 VanDerWaalsContact O-O 3.14Å
241A97.8Very high97.4Very high70 Ų7074.1 Ų74.158%0.57941%0.408SS*.EExtended strand (participates in β ladder)trans-137.6144.9179.700000110.3V250 L251A241-V250 WeakPolarHBondContact CA-O 3.39Å; A241-L251 HydrophobicContact CB-CD2 3.69Å
242L97.1Very high97.4Very high107 Ų10774 Ų7456%0.5641%0.408SS*.EExtended strand (participates in β ladder)trans-87.9153.5164.6-65175.9000109.6I244 V250L242-I244 PolarHBondContact O-N 3.13Å; L242-V250 HydrophobicContact CB-CB 4.29Å; L242-V250 HydrophobicContact CD1-CB 4.25Å; L242-V250 HydrophobicContact CD1-CG1 4.25Å; L242-V250 PolarHBondContact N-O 2.9Å; L242-V250 VanDerWaalsContact N-O 3.1Å
243S97Very high97.4Very high107 Ų10771.6 Ų71.675%0.74840%0.397SS*.EExtended strand (participates in β ladder)trans-56.4128167.6-52.40000109.8K245S243-K245 PolarHBondContact O-N 3.08Å
244I96.6Very high97.5Very high97 Ų9765.4 Ų65.450%0.49737%0.368SS..EExtended strand (participates in β ladder)trans-55.3133.1179-64.2157.8000109.8L242 M249 I270L242-I244 PolarHBondContact O-N 3.13Å; I244-M249 HydrophobicContact CD1-CE 4.27Å; I244-M249 HydrophobicContact CG1-CB 4.41Å; I244-M249 HydrophobicContact CG1-CG 4.37Å; I244-I270 HydrophobicContact CB-CD1 4.34Å; I244-I270 HydrophobicContact CD1-CD1 3.57Å; I244-I270 HydrophobicContact CG1-CD1 3.85Å; I244-I270 HydrophobicContact CG2-CD1 3.53Å
245K95.5Very high97.5Very high150 Ų15067 Ų6765%0.65237%0.372SS*.EExtended strand (participates in β ladder)trans-140.2148.3174.8-67.9-176.9-178-178.90109.4S243 G247 V248S243-K245 PolarHBondContact O-N 3.08Å; K245-G247 PolarHBondContact O-N 3.24Å; K245-V248 PolarHBondContact N-O 2.89Å; K245-V248 PolarHBondContact O-N 3.09Å
246D95.3Very high97.6Very high164 Ų16472.3 Ų72.388%0.87739%0.391SS*.THydrogen-bonded Turntrans51.534.5172.7-48.9-43.2000114.7V248D246-V248 VanDerWaalsContact C-N 3.28Å; D246-V248 PolarHBondContact O-N 3.43Å
247G95.5Very high97.6Very high42 Ų4278.9 Ų78.943%0.43342%0.416SS..THydrogen-bonded Turntrans75.28.2-178.900000115.3K245 P269 I270K245-G247 PolarHBondContact O-N 3.24Å; G247-P269 WeakPolarHBondContact O-CA 3.45Å; G247-I270 PolarHBondContact O-N 2.93Å
248V97.4Very high97.5Very high46 Ų4681 Ų8128%0.27942%0.42SS..EExtended strand (participates in β ladder)trans-115.4128.1-177.4-176.20000111.2K245 D246 V250 Y267K245-V248 PolarHBondContact N-O 2.89Å; K245-V248 PolarHBondContact O-N 3.09Å; D246-V248 VanDerWaalsContact C-N 3.28Å; D246-V248 PolarHBondContact O-N 3.43Å; V248-V250 HydrophobicContact CG1-CG2 4.43Å; V248-Y267 HydrophobicContact CG1-CD1 4.11Å
249M97.4Very high97.5Very high62 Ų6286.6 Ų86.631%0.30544%0.443SS..EExtended strand (participates in β ladder)trans-87.3135.1166.7-170.3-177.1-68.100109.7I244 L251 Y267 K268 I270I244-M249 HydrophobicContact CD1-CE 4.27Å; I244-M249 HydrophobicContact CG1-CB 4.41Å; I244-M249 HydrophobicContact CG1-CG 4.37Å; M249-L251 HydrophobicContact CG-CD2 4.05Å; M249-L251 HydrophobicContact CG-CG 4.04Å; M249-L251 HydrophobicContact SD-CD1 3.91Å; M249-L251 HydrophobicContact SD-CD2 3.94Å; M249-L251 HydrophobicContact SD-CG 3.93Å; M249-Y267 WeakPolarHBondContact O-CA 3.48Å; M249-K268 PolarHBondContact N-O 3.3Å; M249-K268 PolarHBondContact O-N 3.26Å; M249-I270 HydrophobicContact CB-CD1 4.05Å; M249-I270 HydrophobicContact CB-CG1 4.08Å; M249-I270 HydrophobicContact CE-CD1 4.08Å; M249-I270 HydrophobicContact CE-CG1 4.47Å
250V98.2Very high97.5Very high21 Ų2188.4 Ų88.413%0.12745%0.446CS..EExtended strand (participates in β ladder)trans-119.9116.4173.9-168.60000109.3A241 L242 V248 L266 Y267A241-V250 WeakPolarHBondContact CA-O 3.39Å; L242-V250 HydrophobicContact CB-CB 4.29Å; L242-V250 HydrophobicContact CD1-CB 4.25Å; L242-V250 HydrophobicContact CD1-CG1 4.25Å; L242-V250 PolarHBondContact N-O 2.9Å; L242-V250 VanDerWaalsContact N-O 3.1Å; V248-V250 HydrophobicContact CG1-CG2 4.43Å; V250-L266 WeakPolarHBondContact CA-O 3.44Å; V250-Y267 HydrophobicContact CB-CD1 4.45Å; V250-Y267 HydrophobicContact CB-CE1 4.31Å; V250-Y267 HydrophobicContact CG1-CD1 4.2Å; V250-Y267 HydrophobicContact CG1-CD2 4.3Å; V250-Y267 HydrophobicContact CG1-CE1 3.83Å; V250-Y267 HydrophobicContact CG1-CE2 3.94Å; V250-Y267 HydrophobicContact CG1-CG 4.41Å; V250-Y267 HydrophobicContact CG2-CD1 3.53Å; V250-Y267 HydrophobicContact CG2-CE1 3.45Å; V250-Y267 VanDerWaalsContact CG2-CE1 3.45Å; V250-Y267 HydrophobicContact CG2-CG 4.33Å
251L98.1Very high97.5Very high46 Ų4689.8 Ų89.824%0.24145%0.451CS..EExtended strand (participates in β ladder)trans-115.4148.7179.6-62.6-177.5000110.3L239 A241 M249 L265 L266L239-L251 HydrophobicContact CD1-CB 4.17Å; L239-L251 HydrophobicContact CD1-CD2 4.41Å; L239-L251 HydrophobicContact CD2-CD2 4.35Å; A241-L251 HydrophobicContact CB-CD2 3.69Å; M249-L251 HydrophobicContact CG-CD2 4.05Å; M249-L251 HydrophobicContact CG-CG 4.04Å; M249-L251 HydrophobicContact SD-CD1 3.91Å; M249-L251 HydrophobicContact SD-CD2 3.94Å; M249-L251 HydrophobicContact SD-CG 3.93Å; L251-L265 CarbonylContact O-C 3.46Å; L251-L265 WeakPolarHBondContact O-CA 3.38Å; L251-L266 PolarHBondContact N-O 3.32Å; L251-L266 PolarHBondContact O-N 3.43Å
252S98.3Very high97.6Very high10 Ų1090.2 Ų90.27%0.0745%0.447CS..EExtended strand (participates in β ladder)trans-147.1148.7173.5-170.60000112.5Y240 T263 T264Y240-S252 PolarHBondContact N-O 3.12Å; Y240-S252 PolarHBondContact O-N 2.83Å; Y240-S252 VanDerWaalsContact O-O 3.14Å; S252-T263 WeakPolarHBondContact OG-CG2 3.19Å; S252-T264 WeakPolarHBondContact CA-O 3.36Å; S252-T264 WeakPolarHBondContact CB-O 3.2Å; S252-T264 PolarHBondContact OG-O 2.85Å
253A98.4Very high97.6Very high14 Ų1486.5 Ų86.512%0.11643%0.429CS..EExtended strand (participates in β ladder)trans-149.2145.1170.900000110T264A253-T264 PolarHBondContact N-O 3.09Å; A253-T264 PolarHBondContact O-N 2.92Å; A253-T264 VanDerWaalsContact O-N 3.11Å
254T98.6Very high97.7Very high1 Ų185.3 Ų85.31%0.00642%0.417CS..EExtended strand (participates in β ladder)trans-98.1121.9176.5-50.10000109.6P231 L236 N237 V262 T263P231-T254 HydrophobicContact CB-CG2 4.3Å; P231-T254 HydrophobicContact CG-CG2 4.07Å; L236-T254 WeakPolarHBondContact CA-O 3.39Å; L236-T254 HydrophobicContact CD2-CG2 3.6Å; N237-T254 PolarHBondContact N-O 2.94Å; T254-V262 WeakPolarHBondContact CA-O 3.37Å; T254-T263 WeakPolarHBondContact CG2-OG1 3.41Å; T254-T263 PolarHBondContact OG1-OG1 2.82Å; T254-T263 VanDerWaalsContact OG1-OG1 3.1Å
255H98.5Very high97.8Very high90 Ų9084.4 Ų84.442%0.41741%0.413SS..EExtended strand (participates in β ladder)trans-115.9149.1-179.3-62.896.1000111.1N237 Y261 V262N237-H255 PolarHBondContact OD1-CD2 3.29Å; H255-Y261 WeakPolarHBondContact O-CA 3.09Å; H255-V262 PolarHBondContact N-O 2.91Å; H255-V262 PolarHBondContact O-N 3.22Å
256R98.4Very high97.9Very high119 Ų11982 Ų8245%0.44941%0.406SS..EExtended strand (participates in β ladder)trans-93.2126.4173.8-173.2-170.9-68-92.2-0.5109.9L236 K258 K260 Y261L236-R256 HydrophobicContact CD1-CB 4.24Å; R256-K258 WeakPolarHBondContact CD-O 3.39Å; R256-K258 WeakPolarHBondContact CG-O 3.45Å; R256-K260 CarbonylContact C-O 3.58Å; R256-K260 WeakPolarHBondContact CA-O 3.4Å; R256-Y261 HydrophobicContact CB-CD1 4.28Å; R256-Y261 HydrophobicContact CB-CE1 4.48Å; R256-Y261 HydrophobicContact CG-CD1 4.31Å; R256-Y261 HydrophobicContact CG-CE1 4.2Å; R256-Y261 VanDerWaalsContact CZ-CE1 3.42Å; R256-Y261 PolarHBondContact NH1-OH 2.98Å; R256-Y261 VanDerWaalsContact NH1-OH 3.08Å; R256-Y261 PolarHBondContact NH2-OH 3.4Å
257Y98Very high98Very high154 Ų15481.2 Ų81.260%0.60439%0.392SS*.EExtended strand (participates in β ladder)trans-117.1110.3167.6-179.7-102.7000109.6K259 K260Y257-K259 PolarHBondContact O-N 3.11Å; Y257-K259 VanDerWaalsContact O-N 3.08Å; Y257-K260 PolarHBondContact N-O 3.05Å; Y257-K260 PolarHBondContact O-N 2.94Å
258K97.3Very high98.1Very high166 Ų16685.4 Ų85.472%0.72240%0.398SS*.THydrogen-bonded Turntrans52.9-110.8-170.3-55.4-177.1-179.1-176.30110.9R256R256-K258 WeakPolarHBondContact CD-O 3.39Å; R256-K258 WeakPolarHBondContact CG-O 3.45Å
259K97.9Very high98.1Very high198 Ų19888 Ų8886%0.86142%0.416SS*.THydrogen-bonded Turntrans-105.913.5176.9-61.8-172.8178.5-176.80113.5Y257Y257-K259 PolarHBondContact O-N 3.11Å; Y257-K259 VanDerWaalsContact O-N 3.08Å
260K98.1Very high97.8Very high157 Ų15792.2 Ų92.268%0.68344%0.438SS*.EExtended strand (participates in β ladder)trans-114.8160.6177.6-63.9-168.7175.9-169.30110.9R256 Y257R256-K260 CarbonylContact C-O 3.58Å; R256-K260 WeakPolarHBondContact CA-O 3.4Å; Y257-K260 PolarHBondContact N-O 3.05Å; Y257-K260 PolarHBondContact O-N 2.94Å
261Y98.6Very high97.7Very high64 Ų6495.8 Ų95.825%0.25145%0.454SS..EExtended strand (participates in β ladder)trans-119.5142.8176.5-49.1-80000109.5E230 P231 L236 H255 R256E230-Y261 HydrophobicContact CG-CD2 4.4Å; E230-Y261 HydrophobicContact CG-CE2 3.74Å; E230-Y261 VanDerWaalsContact OE1-CE2 3.31Å; E230-Y261 WeakPolarHBondContact OE1-CE2 3.43Å; E230-Y261 PolarHBondContact OE1-OH 3.45Å; P231-Y261 HydrophobicContact CG-CD1 3.65Å; P231-Y261 HydrophobicContact CG-CD2 3.9Å; P231-Y261 HydrophobicContact CG-CE1 4.11Å; P231-Y261 HydrophobicContact CG-CE2 4.34Å; P231-Y261 HydrophobicContact CG-CG 3.52Å; L236-Y261 HydrophobicContact CD1-CD1 4.16Å; L236-Y261 HydrophobicContact CD1-CE1 3.92Å; L236-Y261 HydrophobicContact CD2-CD1 3.96Å; L236-Y261 HydrophobicContact CD2-CE1 4.43Å; H255-Y261 WeakPolarHBondContact O-CA 3.09Å; R256-Y261 HydrophobicContact CB-CD1 4.28Å; R256-Y261 HydrophobicContact CB-CE1 4.48Å; R256-Y261 HydrophobicContact CG-CD1 4.31Å; R256-Y261 HydrophobicContact CG-CE1 4.2Å; R256-Y261 VanDerWaalsContact CZ-CE1 3.42Å; R256-Y261 PolarHBondContact NH1-OH 2.98Å; R256-Y261 VanDerWaalsContact NH1-OH 3.08Å; R256-Y261 PolarHBondContact NH2-OH 3.4Å
262V98.4Very high97.7Very high80 Ų8098.4 Ų98.449%0.48547%0.465SS..EExtended strand (participates in β ladder)trans-134.1123177.5-177.90000108.4T254 H255T254-V262 WeakPolarHBondContact CA-O 3.37Å; H255-V262 PolarHBondContact N-O 2.91Å; H255-V262 PolarHBondContact O-N 3.22Å
263T98.5Very high97.7Very high29 Ų29103.3 Ų103.318%0.17849%0.487CS..EExtended strand (participates in β ladder)trans-98.2103.7173.4-53.40000108.5I214 L215 L228 S252 T254 L265I214-T263 HydrophobicContact CG2-CG2 4.44Å; L215-T263 HydrophobicContact CD1-CG2 4.05Å; L215-T263 HydrophobicContact CD2-CG2 3.91Å; L215-T263 HydrophobicContact CG-CG2 4.05Å; L228-T263 HydrophobicContact CD1-CG2 4.26Å; L228-T263 WeakPolarHBondContact CD1-OG1 3.49Å; S252-T263 WeakPolarHBondContact OG-CG2 3.19Å; T254-T263 WeakPolarHBondContact CG2-OG1 3.41Å; T254-T263 PolarHBondContact OG1-OG1 2.82Å; T254-T263 VanDerWaalsContact OG1-OG1 3.1Å; T263-L265 HydrophobicContact CG2-CD1 4.35Å
264T98.3Very high97.6Very high82 Ų82108.6 Ų108.650%0.50351%0.509SS..EExtended strand (participates in β ladder)trans-87.5139.6179.3-52.60000109.3S252 A253S252-T264 WeakPolarHBondContact CA-O 3.36Å; S252-T264 WeakPolarHBondContact CB-O 3.2Å; S252-T264 PolarHBondContact OG-O 2.85Å; A253-T264 PolarHBondContact N-O 3.09Å; A253-T264 PolarHBondContact O-N 2.92Å; A253-T264 VanDerWaalsContact O-N 3.11Å
265L98.4Very high97.6Very high78 Ų78115.3 Ų115.341%0.40854%0.54SS..EExtended strand (participates in β ladder)trans-113.6135.4169.4-73.575.4000108.8L215 L251 T263 Y267L215-L265 HydrophobicContact CD1-CD1 3.96Å; L215-L265 HydrophobicContact CD1-CD2 4.3Å; L215-L265 HydrophobicContact CD1-CG 4.2Å; L215-L265 HydrophobicContact CD2-CD1 4.42Å; L251-L265 CarbonylContact O-C 3.46Å; L251-L265 WeakPolarHBondContact O-CA 3.38Å; T263-L265 HydrophobicContact CG2-CD1 4.35Å; L265-Y267 HydrophobicContact CB-CE2 4.19Å; L265-Y267 HydrophobicContact CD2-CE2 4.34Å
266L98.1Very high97.5Very high98 Ų98117 Ų11751%0.51355%0.549SS..EExtended strand (participates in β ladder)trans-120120.8175.2175.864000109.3V250 L251V250-L266 WeakPolarHBondContact CA-O 3.44Å; L251-L266 PolarHBondContact N-O 3.32Å; L251-L266 PolarHBondContact O-N 3.43Å
267Y98Very high97.4Very high148 Ų148116.9 Ų116.958%0.5856%0.556SS**EExtended strand (participates in β ladder)trans-99.5122.1170-69.9-105.4000108V248 M249 V250 L265V248-Y267 HydrophobicContact CG1-CD1 4.11Å; M249-Y267 WeakPolarHBondContact O-CA 3.48Å; V250-Y267 HydrophobicContact CB-CD1 4.45Å; V250-Y267 HydrophobicContact CB-CE1 4.31Å; V250-Y267 HydrophobicContact CG1-CD1 4.2Å; V250-Y267 HydrophobicContact CG1-CD2 4.3Å; V250-Y267 HydrophobicContact CG1-CE1 3.83Å; V250-Y267 HydrophobicContact CG1-CE2 3.94Å; V250-Y267 HydrophobicContact CG1-CG 4.41Å; V250-Y267 HydrophobicContact CG2-CD1 3.53Å; V250-Y267 HydrophobicContact CG2-CE1 3.45Å; V250-Y267 VanDerWaalsContact CG2-CE1 3.45Å; V250-Y267 HydrophobicContact CG2-CG 4.33Å; L265-Y267 HydrophobicContact CB-CE2 4.19Å; L265-Y267 HydrophobicContact CD2-CE2 4.34Å
268K97.4Very high97.4Very high130 Ų130114 Ų11457%0.56555%0.552SS**EExtended strand (participates in β ladder)trans-135.6125.3-177.6-168.4-167.8170-173.90110.4M249M249-K268 PolarHBondContact N-O 3.3Å; M249-K268 PolarHBondContact O-N 3.26Å
269P96.4Very high97.4Very high100 Ų100109.7 Ų109.765%0.64954%0.538SS*.EExtended strand (participates in β ladder)trans-59.9153.9168.6-22.434.2000112.2G247G247-P269 WeakPolarHBondContact O-CA 3.45Å
270I90.8Very high97.4Very high152 Ų152101.6 Ų101.678%0.77951%0.509SS*.  trans-108.60176.6-52.1-176.6000109.8I244 G247 M249I244-I270 HydrophobicContact CB-CD1 4.34Å; I244-I270 HydrophobicContact CD1-CD1 3.57Å; I244-I270 HydrophobicContact CG1-CD1 3.85Å; I244-I270 HydrophobicContact CG2-CD1 3.53Å; G247-I270 PolarHBondContact O-N 2.93Å; M249-I270 HydrophobicContact CB-CD1 4.05Å; M249-I270 HydrophobicContact CB-CG1 4.08Å; M249-I270 HydrophobicContact CE-CD1 4.08Å; M249-I270 HydrophobicContact CE-CG1 4.47Å

Retrieved 270 of 270 residues in 123.5 ms (Link to these results)