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Association with the SNF1 complex (ASC) domain-containing protein

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 (A0A673YXR0), UniProt , Accession A0A060XLG3, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 266 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M41.5Very low35.6Very low250 Ų250140.8 Ų140.8100%1.23283%0.829SS**  092.40-74.3162.9166.700105.7
2G34.9Very low35.4Very low73 Ų73144.4 Ų144.475%0.75382%0.818SS**  76.388.886.600000108.5
3N32.1Very low35.2Very low156 Ų156146.2 Ų146.283%0.83482%0.815SS**  51.2125.686.5-130.126.9000111.1
4T40.2Very low34.7Very low121 Ų121140.7 Ų140.774%0.74281%0.808SS**  176.6162.756.930.20000110.8
5G36.2Very low34.5Very low69 Ų69137.5 Ų137.571%0.71181%0.805SS**  trans143.374.4149.500000114.3
6D35.5Very low34.3Very low130 Ų130141.6 Ų141.670%0.69581%0.81SS**  57.6107.197.1-81.5-32000114.9
7R38.1Very low34.1Very low219 Ų219138 Ų13883%0.82680%0.801SS**  80.3114.780.7-83.9-172.7176.9151.6-3.6114.8
8M36.1Very low34Very low197 Ų197139.1 Ų139.197%0.9780%0.797SS**  trans-151.1119.6134.9-107.3129.3176.700110.4
9S34.9Very low33.8Very low128 Ų128143.5 Ų143.590%0.89580%0.8SS**  trans-101.8161165.6-60.20000109
10G31.4Very low33.8Very low73 Ų73141.8 Ų141.875%0.75380%0.797SS**  trans139.471.2166.200000113.1
11D30.6Very low33.6Very low133 Ų133142.5 Ų142.571%0.71180%0.799SS**  71.8124.487.4-124.37.4000115.6
12R33.9Very low33.3Very low184 Ų184136.7 Ų136.769%0.69478%0.783SS**  trans99.2129.3130.4-85.3167.6-167.1-141.86.9124.3
13H32.8Very low33.1Very low167 Ų167145.4 Ų145.477%0.77379%0.794SS**  trans76.7136.3142.6-58.8-39.7000117.3
14G27.4Very low33Very low70 Ų70141 Ų14172%0.72279%0.785SS**  cis154.71615.900000109.9
15A31.5Very low32.6Very low92 Ų92141.1 Ų141.176%0.7679%0.791SS**  trans75.9116.1157.300000118.2
16K31.4Very low32.4Very low204 Ų204144.1 Ų144.189%0.88779%0.791SS**  70.714493.1-72.5-175178.1-178.80112.3
17A31.5Very low32.3Very low80 Ų80146.5 Ų146.566%0.66180%0.795SS**  cis180-174.5-4.300000106.6
18H31.5Very low32Very low157 Ų157143.1 Ų143.173%0.72779%0.793SS**  trans87.3113.5168.1-79.6-99.6000117.3
19R30.7Very low31.8Very low224 Ų224143 Ų14385%0.84579%0.79SS**  86.6120.454.4-85-168.1174.3177.6-0.3113.1
20S33.3Very low31.8Very low108 Ų108145.3 Ų145.376%0.75579%0.787SS**  175.2109.4129.953.20000108.1
21D30.6Very low32.4Very low157 Ų157146.3 Ų146.384%0.8478%0.78SS**  77119.689.2-89.4-22.7000114.5
22S34.2Very low32.5Very low128 Ų128146.2 Ų146.290%0.89579%0.789SS**  trans-170.6107.5132.2-79.80000113.4
23R31.8Very low32.4Very low256 Ų256146.3 Ų146.397%0.96680%0.795SS**  trans-13.1149.1154-71.4167.1166.8177-5.2122.4
24G28.6Very low32.3Very low64 Ų64146.5 Ų146.566%0.6680%0.798SS**  trans156.192143.400000111.9
25S32.9Very low32.8Very low123 Ų123150 Ų15086%0.8681%0.805SS**  53.8129.794.569.90000113.6
26D31.4Very low32.8Very low133 Ų133152.2 Ų152.271%0.71180%0.804SS**  cis-176163.712.7-176.220.7000108.1
27K33Very low32.9Very low179 Ų179147.4 Ų147.478%0.77880%0.796SS**  trans105.3107.6154.5-56.4-163.2176.5178.70121.7
28D33.1Very low33.1Very low148 Ų148149 Ų14979%0.79180%0.798SS**  trans-55.5147158.8-56.2-60.1000115.1
29H31.3Very low33.5Very low194 Ų194148.6 Ų148.690%0.89880%0.801SS**  -159.5122.8126.5-108.949.2000110.7
30E35.6Very low34.2Very low178 Ų178145.1 Ų145.183%0.83280%0.799SS**  trans-92.3177.4175.4-117.7-109.1144.400109.7
31P44.2Very low34.8Very low94 Ų94144.8 Ų144.861%0.6179%0.794SS**  -114.4179.4-114.733.3-13000113.1
32S31.8Very low35.3Very low130 Ų130144.7 Ų144.791%0.90979%0.794SS**  trans-136130167.8-71.30000111.8
33K32.2Very low35.3Very low187 Ų187147 Ų14781%0.81380%0.795SS**  trans-97.2161.7-175.1-95.6175.3170.1172.70111.4
34M31Very low35.3Very low171 Ų171143.4 Ų143.484%0.84279%0.786SS**  trans81.2136.1163.7-43.7-166176.800113.9
35V36.9Very low35.6Very low144 Ų144146.7 Ų146.787%0.87379%0.789SS**  cis-156.7149.545.5-155.30000111.2
36D31Very low35.6Very low138 Ų138147.8 Ų147.874%0.73879%0.79SS**  trans-70.1143.7166.6173.527.9000112.5
37S34.3Very low35.8Very low102 Ų102151.2 Ų151.271%0.71380%0.801SS**  trans-180112.5144.9-80.30000113.9
38T36.7Very low35.6Very low113 Ų113145.8 Ų145.869%0.69380%0.797SS**  65.7116.7128.9650000124
39D38.3Very low35.5Very low149 Ų149147.7 Ų147.780%0.79781%0.806SS**  48.3109.6125.5-62.7-21.8000123
40D45.4Very low35.4Very low152 Ų152142.1 Ų142.181%0.81380%0.801SS**  62169.8122.5-106.14.1000121.4
41P47.3Very low35.2Very low100 Ų100139.1 Ų139.165%0.64980%0.799SS**  -127168.4-66.829.7-8.7000113.4
42N40.9Very low34.6Very low156 Ų156140.4 Ų140.483%0.83481%0.811SS**  trans32.2123.7159.7-81-18.5000121.4
43I33.7Very low34.7Very low176 Ų176144 Ų14490%0.90381%0.81SS**  trans-156.8134.5139-107153.7000112.2
44F32.9Very low34.8Very low181 Ų181139.8 Ų139.879%0.79481%0.81SS**  trans-70152.7-179.5-98.8-105.3000114.5
45N32.8Very low34.8Very low133 Ų133136.6 Ų136.671%0.71180%0.804SS**  trans59.5123.1150.1-77.87.8000120.8
46T34Very low34.9Very low145 Ų145137.3 Ų137.389%0.8980%0.804SS**  -176.8146.6108.9270000112.5
47H36Very low35.2Very low205 Ų205139.5 Ų139.595%0.94981%0.806SS**  trans-55.7152179.6-86.1-106.8000115.6
48G28.5Very low35.7Very low66 Ų66143.3 Ų143.368%0.6881%0.813SS**  trans142.197.3139.300000118.6
49L31.2Very low36.1Very low188 Ų188145.3 Ų145.398%0.98481%0.814SS**  trans49.4125.1148.4-77.392.4000121.6
50G29Very low36.3Very low77 Ų77143.2 Ų143.279%0.79481%0.809SS**  trans166.160155.300000118.2
51S30.8Very low36.2Very low114 Ų114142.4 Ų142.480%0.79781%0.805SS**  trans16.9115153.2-173.90000120.3
52S32.8Very low36.4Very low122 Ų122145.1 Ų145.185%0.85381%0.813SS**  -154.6123.8125.445.80000110.9
53K32Very low36.9Very low206 Ų206145.1 Ų145.190%0.89681%0.813SS**  trans-77.4126.7-177.9-67.8174.1172.7179.30109.9
54A34.7Very low37.7Very low98 Ų98144.1 Ų144.181%0.8181%0.809SS**  trans-126.7112.7149.700000106.4D56A54-D56 PolarHBondContact O-N 3.02Å
55S32.4Very low38.6Very low103 Ų103143 Ų14372%0.7281%0.811SS**  trans-86.399.6-174.144.20000109.9
56D39Very low39.5Very low160 Ų160142.5 Ų142.586%0.85681%0.812SS**  trans-87.1108154.1-77.8-32.9000107A54 E58A54-D56 PolarHBondContact O-N 3.02Å; D56-E58 PolarHBondContact O-N 2.9Å
57K37.6Very low40.1Very low183 Ų183142.8 Ų142.880%0.79680%0.801SS**  trans-77.396.9168.5-70.3-176.8176.9-175.70106.7E59K57-E59 PolarHBondContact O-N 3.19Å
58E44.1Very low40.5Very low183 Ų183140.9 Ų140.986%0.85580%0.804SS**  trans-65.8111.3151.8-71.9-179.7163.900105.9D56 P60D56-E58 PolarHBondContact O-N 2.9Å; E58-P60 WeakPolarHBondContact O-CD 3.39Å
59E45.1Very low41.8Very low154 Ų154139.6 Ų139.672%0.7279%0.791SS**PPolyproline II helixtrans-61.2120.2169-71.7-101.6137.900106.7K57 D61K57-E59 PolarHBondContact O-N 3.19Å; E59-D61 PolarHBondContact O-N 3.37Å
60P43Very low43.1Very low106 Ų106136.2 Ų136.269%0.68878%0.78SS**PPolyproline II helixtrans-64.3131.4171.426.6-30.5000107.9E58 L62E58-P60 WeakPolarHBondContact O-CD 3.39Å; P60-L62 PolarHBondContact O-N 2.83Å; P60-L62 VanDerWaalsContact O-N 3.12Å
61D42.8Very low45.5Very low134 Ų134137.5 Ų137.572%0.71777%0.766SS**PPolyproline II helixtrans-48.7122.8173-86.1-38.3000108.9E59 D63 D64E59-D61 PolarHBondContact O-N 3.37Å; D61-D63 PolarHBondContact O-N 2.94Å; D61-D64 PolarHBondContact O-N 3.13Å; D61-D64 VanDerWaalsContact O-N 3.16Å
62L50.4Low48.2Very low158 Ų158134.9 Ų134.983%0.82775%0.747SS**THydrogen-bonded Turntrans-63.80.8-174.6-81.3158.3000113.8P60P60-L62 PolarHBondContact O-N 2.83Å; P60-L62 VanDerWaalsContact O-N 3.12Å
63D52.5Low50.9Low155 Ų155130 Ų13083%0.82971%0.71SS**THydrogen-bonded Turntrans-92.2-16.2178-69.2-30.9000113.4D61 L65D61-D63 PolarHBondContact O-N 2.94Å; D63-L65 VanDerWaalsContact C-N 3.34Å; D63-L65 PolarHBondContact O-N 3.01Å
64D49.7Very low53.9Low155 Ų155123.8 Ų123.883%0.82969%0.691SS**SBendtrans-88.1-0.5-176.1-109.4-14.1000114.3D61D61-D64 PolarHBondContact O-N 3.13Å; D61-D64 VanDerWaalsContact O-N 3.16Å
65L51.7Low56.8Low159 Ų159119.8 Ų119.883%0.83266%0.657SS**SBendtrans-112.758.8179.7-152.880.4000111.3D63D63-L65 VanDerWaalsContact C-N 3.34Å; D63-L65 PolarHBondContact O-N 3.01Å
66V51.6Low59.8Low122 Ų122119.4 Ų119.474%0.73965%0.65SS**  trans-176.5106.8151.1152.30000109.5
67K47.8Very low62.6Low151 Ų151112 Ų11266%0.65761%0.61SS**  trans171.279.3132-93.5167.9-173.3179.60110.6G69K67-G69 PolarHBondContact O-N 3.2Å; K67-G69 VanDerWaalsContact O-N 3.12Å
68T44.8Very low65.4Low165 Ų165110 Ų110100%1.01260%0.597SS**  trans-81.746.8158.648.10000110.8
69G54.3Low67.9Low39 Ų39102.6 Ų102.640%0.40256%0.562SS.*SBendtrans-125.4159.9167.900000108.5K67 Q71K67-G69 PolarHBondContact O-N 3.2Å; K67-G69 VanDerWaalsContact O-N 3.12Å; G69-Q71 PolarHBondContact O-N 2.87Å
70P59.9Low70.3Confident117 Ų11798.3 Ų98.376%0.7655%0.552SS**  trans-54.5107.7172.922.1-30.4000108.1S72 P115P70-S72 PolarHBondContact O-N 2.85Å; P70-S72 VanDerWaalsContact O-N 3.07Å; P70-P115 HydrophobicContact CB-CB 4.41Å
71Q78.7Confident72.6Confident103 Ų10394.4 Ų94.448%0.48153%0.532SS..  trans-75.1103.4-175.8-174.5177.73.900106.6G69 R73G69-Q71 PolarHBondContact O-N 2.87Å; Q71-R73 WeakPolarHBondContact O-CG 3.24Å
72S88.3Confident74.9Confident59 Ų5991 Ų9141%0.41353%0.528SS..  trans-65.9143.3168-60.70000109.9P70 L114P70-S72 PolarHBondContact O-N 2.85Å; P70-S72 VanDerWaalsContact O-N 3.07Å; S72-L114 CarbonylContact C-O 3.53Å; S72-L114 WeakPolarHBondContact CA-O 3.36Å
73R88.5Confident76.8Confident19 Ų1984.2 Ų84.27%0.07250%0.497CS..EExtended strand (participates in β ladder)trans-134.4145-171.4-56179.6168.2-153.2-23.5111.8Q71 T75 D113 L114 Q153 F156Q71-R73 WeakPolarHBondContact O-CG 3.24Å; R73-T75 PolarHBondContact O-N 2.8Å; R73-T75 VanDerWaalsContact O-N 3.11Å; R73-T75 PolarHBondContact O-OG1 2.92Å; R73-D113 WeakPolarHBondContact O-CA 3.49Å; R73-L114 PolarHBondContact N-O 3.15Å; R73-L114 PolarHBondContact O-N 3.35Å; R73-Q153 VanDerWaalsContact NH1-CA 3.33Å; R73-Q153 PolarHBondContact NH1-O 2.93Å; R73-F156 HydrophobicContact CB-CD1 3.91Å; R73-F156 HydrophobicContact CB-CD2 4.39Å; R73-F156 HydrophobicContact CB-CE1 3.28Å; R73-F156 HydrophobicContact CB-CE2 3.78Å; R73-F156 HydrophobicContact CB-CG 4.42Å; R73-F156 HydrophobicContact CB-CZ 3.18Å; R73-F156 HydrophobicContact CG-CD1 4.42Å; R73-F156 HydrophobicContact CG-CD2 4.45Å; R73-F156 HydrophobicContact CG-CE1 4.21Å; R73-F156 HydrophobicContact CG-CE2 4.16Å; R73-F156 HydrophobicContact CG-CZ 4.04Å
74P94.9Very high78.7Confident77 Ų7785.3 Ų85.350%0.549%0.494SS..EExtended strand (participates in β ladder)trans-67.4113.7-173.526.7-34.8000110.5I111 D113 F156P74-I111 HydrophobicContact CB-CG2 3.88Å; P74-D113 WeakPolarHBondContact CA-OD1 3.28Å; P74-F156 HydrophobicContact CG-CE1 4.39Å; P74-F156 WeakPolarHBondContact O-CE1 3.19Å
75T95.9Very high80.9Confident14 Ų1483.6 Ų83.69%0.08648%0.481CS..EExtended strand (participates in β ladder)trans-113.8125.5-179.4-53.50000109.1R73 I111 L112 L114 I149 V151R73-T75 PolarHBondContact O-N 2.8Å; R73-T75 VanDerWaalsContact O-N 3.11Å; R73-T75 PolarHBondContact O-OG1 2.92Å; T75-I111 WeakPolarHBondContact O-CA 3.43Å; T75-L112 PolarHBondContact N-O 2.74Å; T75-L112 PolarHBondContact O-N 3.02Å; T75-L114 HydrophobicContact CG2-CD1 4.07Å; T75-I149 HydrophobicContact CG2-CD1 3.44Å; T75-I149 VanDerWaalsContact CG2-CD1 3.44Å; T75-I149 HydrophobicContact CG2-CG1 4.46Å; T75-V151 HydrophobicContact CG2-CG2 4.18Å
76V96.2Very high83.1Confident95 Ų9576.2 Ų76.258%0.57644%0.443SS*.EExtended strand (participates in β ladder)trans-84.3124.1179.3-174.80000108.9V109 I111V76-V109 HydrophobicContact CG1-CG1 3.83Å; V76-I111 HydrophobicContact CG2-CG1 4.35Å
77I96.6Very high85.3Confident4 Ų473.5 Ų73.52%0.02142%0.419CS..EExtended strand (participates in β ladder)trans-116.1124.7171.2-54.1176.6000108.4I88 V109 A110 L112 Y121 F123I77-I88 HydrophobicContact CB-CD1 4.21Å; I77-I88 HydrophobicContact CD1-CD1 3.59Å; I77-I88 HydrophobicContact CG1-CD1 4.49Å; I77-I88 HydrophobicContact CG2-CD1 3.57Å; I77-V109 WeakPolarHBondContact O-CA 3.14Å; I77-A110 PolarHBondContact N-O 3.22Å; I77-A110 PolarHBondContact O-N 2.92Å; I77-L112 HydrophobicContact CD1-CD1 3.83Å; I77-Y121 HydrophobicContact CG2-CD2 4.37Å; I77-Y121 HydrophobicContact CG2-CE2 3.94Å; I77-F123 HydrophobicContact CG2-CE1 4.07Å; I77-F123 HydrophobicContact CG2-CZ 3.77Å
78R96.6Very high87.7Confident141 Ų14166.3 Ų66.353%0.53239%0.388SS..EExtended strand (participates in β ladder)trans-121.8142.4-175.8179.6173.862-178.4-3.3110.5D107 F108 V109R78-D107 WeakPolarHBondContact CD-OD2 3.3Å; R78-D107 HydrophobicContact CG-CB 4.06Å; R78-D107 IonicContact NH1-OD2 3.78Å; R78-F108 CarbonylContact C-O 3.53Å; R78-F108 WeakPolarHBondContact CA-O 3.26Å; R78-V109 HydrophobicContact CB-CG2 4.38Å; R78-V109 HydrophobicContact CG-CG2 4.11Å
79W97.1Very high90.2Very high28 Ų2858.4 Ų58.411%0.10634%0.34CS..EExtended strand (participates in β ladder)trans-119.8110.6167.2171.8-100.2000108.3G81 G82 V86 L101 F108 F123 V125 V130 D132W79-G81 VanDerWaalsContact C-N 3.31Å; W79-G81 VanDerWaalsContact NE1-C 3.29Å; W79-G81 PolarHBondContact NE1-O 2.94Å; W79-G82 PolarHBondContact NE1-O 2.99Å; W79-G82 VanDerWaalsContact NE1-O 3.13Å; W79-V86 HydrophobicContact CB-CG1 4.36Å; W79-V86 HydrophobicContact CG-CG1 4.18Å; W79-L101 HydrophobicContact CB-CD2 4.14Å; W79-F108 HydrophobicContact CB-CB 4.15Å; W79-F108 AromaticContact CD1-CD2 3.9Å; W79-F108 PolarHBondContact N-O 2.86Å; W79-F108 PolarHBondContact O-N 3.09Å; W79-F123 HydrophobicContact CB-CD1 4.11Å; W79-F123 HydrophobicContact CB-CE1 3.79Å; W79-F123 HydrophobicContact CB-CZ 4.05Å; W79-F123 HydrophobicContact CD2-CD2 4.36Å; W79-F123 HydrophobicContact CD2-CG 4.31Å; W79-F123 HydrophobicContact CE3-CB 4.37Å; W79-F123 HydrophobicContact CE3-CD1 4.37Å; W79-F123 AromaticContact CE3-CD2 3.45Å; W79-F123 HydrophobicContact CE3-CD2 3.45Å; W79-F123 VanDerWaalsContact CE3-CD2 3.45Å; W79-F123 AromaticContact CE3-CE2 3.69Å; W79-F123 HydrophobicContact CE3-CE2 3.69Å; W79-F123 AromaticContact CE3-CG 3.81Å; W79-F123 HydrophobicContact CE3-CG 3.81Å; W79-F123 HydrophobicContact CE3-CZ 4.25Å; W79-F123 AromaticContact CZ3-CD2 3.83Å; W79-F123 HydrophobicContact CZ3-CD2 3.83Å; W79-F123 HydrophobicContact CZ3-CE2 4.32Å; W79-F123 HydrophobicContact CZ3-CG 4.35Å; W79-V125 HydrophobicContact CD2-CG2 4.43Å; W79-V125 HydrophobicContact CZ2-CG2 3.9Å; W79-V130 HydrophobicContact CH2-CB 4.37Å; W79-V130 HydrophobicContact CH2-CG2 3.61Å; W79-V130 HydrophobicContact CZ2-CG2 4Å; W79-V130 HydrophobicContact CZ3-CG2 4.17Å; W79-D132 HydrophobicContact CE3-CB 4.24Å; W79-D132 HydrophobicContact CZ3-CB 4.08Å
80A94.8Very high92.2Very high63 Ų6356.6 Ų56.652%0.52132%0.321SS..  trans-87.2-2.6178.500000113
81G91.3Very high93.9Very high25 Ų2553 Ų5326%0.25830%0.298SS..SBendtrans-74.1167.9176.700000113W79W79-G81 VanDerWaalsContact C-N 3.31Å; W79-G81 VanDerWaalsContact NE1-C 3.29Å; W79-G81 PolarHBondContact NE1-O 2.94Å
82G90.9Very high94.6Very high62 Ų6250.6 Ų50.664%0.63929%0.286SS*.  trans-68.5169.7171.600000113.1W79 V125W79-G82 PolarHBondContact NE1-O 2.99Å; W79-G82 VanDerWaalsContact NE1-O 3.13Å; G82-V125 WeakPolarHBondContact O-CG1 3.42Å
83G91.7Very high94.9Very high16 Ų1649.4 Ų49.417%0.16528%0.275CS..  trans158.2159.417500000112.5K103 F108 D126G83-K103 PolarHBondContact O-NZ 2.79Å; G83-F108 VanDerWaalsContact O-CZ 3.32Å; G83-F108 WeakPolarHBondContact O-CZ 3.43Å; G83-D126 WeakPolarHBondContact CA-OD2 3.5Å
84K92.6Very high95.1Very high178 Ų17855.6 Ų55.677%0.77431%0.31SS*.SBendtrans-95.5-49.9166.3-64.3-179.5-178.1176.30110.4D126K84-D126 WeakPolarHBondContact CA-OD1 3.32Å; K84-D126 WeakPolarHBondContact CB-OD1 3.36Å; K84-D126 PolarHBondContact N-OD1 3.46Å; K84-D126 PolarHBondContact N-OD2 2.94Å
85E94.9Very high95.1Very high119 Ų11956.9 Ų56.956%0.55631%0.305SS*.SBendtrans-124118.5179.4-61.5-175.6130.600109.3Y87 D126E85-Y87 HydrophobicContact CB-CE2 3.83Å; E85-D126 PolarHBondContact N-OD1 2.81Å; E85-D126 PolarHBondContact O-N 3.48Å
86V97.8Very high94.9Very high4 Ų458.6 Ų58.62%0.02433%0.325CS..EExtended strand (participates in β ladder)trans-122.5128.4-178.2-177.70000108.7W79 L101 F108 F123 V125W79-V86 HydrophobicContact CB-CG1 4.36Å; W79-V86 HydrophobicContact CG-CG1 4.18Å; V86-L101 HydrophobicContact CB-CB 4.43Å; V86-L101 HydrophobicContact CG1-CB 4.37Å; V86-L101 HydrophobicContact CG1-CD1 4.35Å; V86-L101 HydrophobicContact CG1-CD2 3.94Å; V86-L101 HydrophobicContact CG1-CG 4.44Å; V86-L101 PolarHBondContact O-N 2.83Å; V86-F108 HydrophobicContact CB-CB 4.2Å; V86-F108 HydrophobicContact CB-CD1 3.63Å; V86-F108 HydrophobicContact CB-CD2 4.43Å; V86-F108 HydrophobicContact CB-CE1 3.99Å; V86-F108 HydrophobicContact CB-CG 3.85Å; V86-F108 HydrophobicContact CG1-CB 4.24Å; V86-F108 HydrophobicContact CG1-CG 4.37Å; V86-F108 HydrophobicContact CG2-CB 4.41Å; V86-F108 HydrophobicContact CG2-CD1 3.63Å; V86-F108 HydrophobicContact CG2-CD2 3.76Å; V86-F108 HydrophobicContact CG2-CE1 3.62Å; V86-F108 HydrophobicContact CG2-CE2 3.76Å; V86-F108 HydrophobicContact CG2-CG 3.68Å; V86-F108 HydrophobicContact CG2-CZ 3.67Å; V86-F123 HydrophobicContact CG1-CD1 4.24Å; V86-V125 HydrophobicContact CG1-CG2 4.01Å; V86-V125 HydrophobicContact CG2-CG1 4.22Å; V86-V125 HydrophobicContact CG2-CG2 4.17Å
87Y98Very high94.8Very high64 Ų6460.6 Ų60.625%0.25133%0.333SS..EExtended strand (participates in β ladder)trans-127.9163.7175.1-50.9-101000110.9E85 K98 I99 P100 F123 F124E85-Y87 HydrophobicContact CB-CE2 3.83Å; Y87-K98 HydrophobicContact CD1-CB 3.91Å; Y87-K98 HydrophobicContact CG-CB 3.98Å; Y87-I99 CarbonylContact C-O 3.57Å; Y87-I99 WeakPolarHBondContact CA-O 3.35Å; Y87-I99 WeakPolarHBondContact CB-O 3.43Å; Y87-P100 HydrophobicContact CD1-CB 3.89Å; Y87-P100 HydrophobicContact CE1-CB 3.89Å; Y87-F123 CarbonylContact O-C 3.55Å; Y87-F123 VanDerWaalsContact O-CA 3.32Å; Y87-F123 WeakPolarHBondContact O-CA 3.38Å; Y87-F124 HydrophobicContact CD2-CD1 4Å; Y87-F124 PolarHBondContact N-O 2.87Å; Y87-F124 PolarHBondContact O-N 3.06Å
88I97.9Very high94.7Very high0 Ų064.5 Ų64.50%035%0.349CS..EExtended strand (participates in β ladder)trans-128.3145.5173.2-171.5170.9000111I77 F92 I99 L101 Y121 F123I77-I88 HydrophobicContact CB-CD1 4.21Å; I77-I88 HydrophobicContact CD1-CD1 3.59Å; I77-I88 HydrophobicContact CG1-CD1 4.49Å; I77-I88 HydrophobicContact CG2-CD1 3.57Å; I88-F92 HydrophobicContact CD1-CZ 4.35Å; I88-F92 HydrophobicContact CG1-CZ 4.29Å; I88-I99 HydrophobicContact CG2-CB 3.9Å; I88-I99 HydrophobicContact CG2-CG2 4.49Å; I88-I99 PolarHBondContact N-O 2.85Å; I88-I99 PolarHBondContact O-N 2.82Å; I88-L101 HydrophobicContact CB-CD1 3.73Å; I88-L101 HydrophobicContact CG2-CD1 3.55Å; I88-Y121 HydrophobicContact CD1-CD2 3.57Å; I88-Y121 HydrophobicContact CD1-CE2 4.33Å; I88-Y121 HydrophobicContact CD1-CG 4.07Å; I88-Y121 HydrophobicContact CG1-CD2 4.17Å; I88-F123 HydrophobicContact CB-CD1 4.37Å; I88-F123 HydrophobicContact CD1-CE1 4.16Å
89A97.6Very high94.8Very high0 Ų060.1 Ų60.10%034%0.336CS..EExtended strand (participates in β ladder)trans-139.4155.8165.400000109.2W95 Y121 K122 W129A89-W95 HydrophobicContact CB-CE3 4.41Å; A89-Y121 CarbonylContact O-C 3.56Å; A89-Y121 WeakPolarHBondContact O-CA 3.32Å; A89-K122 PolarHBondContact N-O 3.05Å; A89-K122 VanDerWaalsContact N-O 3.13Å; A89-K122 PolarHBondContact O-N 2.97Å; A89-W129 HydrophobicContact CB-CH2 3.85Å; A89-W129 HydrophobicContact CB-CZ3 4.2Å
90G96.3Very high94.8Very high0 Ų062.7 Ų62.70%036%0.357CS..EExtended strand (participates in β ladder)trans-168.5-172.3-177.900000113.9F92 N93 N94 W95 Q120G90-F92 PolarHBondContact O-N 2.85Å; G90-N93 PolarHBondContact N-OD1 2.98Å; G90-N93 PolarHBondContact O-N 2.8Å; G90-N93 PolarHBondContact O-OD1 3.13Å; G90-N94 PolarHBondContact O-N 2.9Å; G90-W95 PolarHBondContact O-N 3.5Å; G90-Q120 CarbonylContact C-O 3.59Å; G90-Q120 WeakPolarHBondContact CA-O 3.34Å
91S95.2Very high94.9Very high41 Ų4160.4 Ų60.429%0.28734%0.335SS..G310 helixtrans-57.2-38.117850.80000112.4N93 N94 H119 Q120S91-N93 PolarHBondContact O-N 2.9Å; S91-N93 VanDerWaalsContact O-N 3.15Å; S91-N94 PolarHBondContact O-N 2.86Å; S91-H119 WeakPolarHBondContact OG-CA 3.37Å; S91-Q120 PolarHBondContact N-O 3.31Å; S91-Q120 PolarHBondContact OG-N 2.82Å; S91-Q120 VanDerWaalsContact OG-N 3.11Å; S91-Q120 PolarHBondContact OG-O 2.86Å
92F94.1Very high95.2Very high54 Ų5465.3 Ų65.324%0.23736%0.356CS..G310 helixtrans-62.6-20.1-178.854.5-101000114.6I88 G90 I99 L112 L114 H119I88-F92 HydrophobicContact CD1-CZ 4.35Å; I88-F92 HydrophobicContact CG1-CZ 4.29Å; G90-F92 PolarHBondContact O-N 2.85Å; F92-I99 HydrophobicContact CE2-CD1 3.83Å; F92-L112 HydrophobicContact CD2-CD1 4.22Å; F92-L112 HydrophobicContact CE1-CD1 4.14Å; F92-L112 HydrophobicContact CE2-CD1 3.54Å; F92-L112 HydrophobicContact CZ-CD1 3.49Å; F92-L112 VanDerWaalsContact CZ-CD1 3.49Å; F92-L114 HydrophobicContact CB-CD2 3.52Å; F92-L114 HydrophobicContact CD1-CD1 4.5Å; F92-L114 HydrophobicContact CD1-CD2 3.73Å; F92-L114 HydrophobicContact CD2-CD2 4.27Å; F92-L114 HydrophobicContact CG-CD2 3.57Å; F92-H119 HydrophobicContact CD1-CB 4.45Å
93N93.6Very high95.4Very high34 Ų3468.7 Ų68.718%0.18235%0.353CS..G310 helixtrans-121.924174.173.9-4.3000112.7G90 S91 W95 G96 N97G90-N93 PolarHBondContact N-OD1 2.98Å; G90-N93 PolarHBondContact O-N 2.8Å; G90-N93 PolarHBondContact O-OD1 3.13Å; S91-N93 PolarHBondContact O-N 2.9Å; S91-N93 VanDerWaalsContact O-N 3.15Å; N93-W95 PolarHBondContact O-N 2.86Å; N93-W95 VanDerWaalsContact O-N 3.15Å; N93-W95 PolarHBondContact OD1-N 2.75Å; N93-G96 PolarHBondContact O-N 3.47Å; N93-N97 PolarHBondContact ND2-O 3.48Å
94N94.3Very high95.3Very high149 Ų14971.1 Ų71.180%0.79737%0.367SS*.THydrogen-bonded Turntrans52.332.6-178.8-61.9-42.5000113.6G90 S91 G96G90-N94 PolarHBondContact O-N 2.9Å; S91-N94 PolarHBondContact O-N 2.86Å; N94-G96 PolarHBondContact O-N 2.86Å
95W93.8Very high94.9Very high104 Ų10471.2 Ų71.239%0.39437%0.37SS..THydrogen-bonded Turntrans5523.2-175.5-58.489.9000113.9A89 G90 N93 Q120 K122 N146A89-W95 HydrophobicContact CB-CE3 4.41Å; G90-W95 PolarHBondContact O-N 3.5Å; N93-W95 PolarHBondContact O-N 2.86Å; N93-W95 VanDerWaalsContact O-N 3.15Å; N93-W95 PolarHBondContact OD1-N 2.75Å; W95-Q120 HydrophobicContact CZ2-CB 3.89Å; W95-K122 HydrophobicContact CH2-CB 4.19Å; W95-K122 HydrophobicContact CZ3-CB 3.79Å; W95-N146 HydrophobicContact CH2-CB 4.12Å; W95-N146 VanDerWaalsContact CH2-CG 3.45Å; W95-N146 WeakPolarHBondContact CH2-ND2 3.17Å; W95-N146 WeakPolarHBondContact CZ2-ND2 3.47Å
96G92.1Very high94.6Very high49 Ų4971.9 Ų71.951%0.50538%0.378SS..  trans-80.7-100.5-174.900000112.1N93 N94N93-G96 PolarHBondContact O-N 3.47Å; N94-G96 PolarHBondContact O-N 2.86Å
97N93.3Very high94.4Very high138 Ų13873.7 Ų73.774%0.73839%0.387SS*.SBendtrans-73.5144.5-176.1-65.7-25.9000111.6N93 I99N93-N97 PolarHBondContact ND2-O 3.48Å; N97-I99 PolarHBondContact O-N 3.41Å
98K96.1Very high94.4Very high85 Ų8571 Ų7137%0.3738%0.377SS..PPolyproline II helixtrans-81.2116.6171.8-69.9-178.4-172.1175.10109.4Y87 F124Y87-K98 HydrophobicContact CD1-CB 3.91Å; Y87-K98 HydrophobicContact CG-CB 3.98Å; K98-F124 HydrophobicContact CD-CB 4.2Å; K98-F124 HydrophobicContact CD-CD1 3.83Å; K98-F124 HydrophobicContact CD-CE1 4.36Å; K98-F124 HydrophobicContact CD-CG 3.97Å; K98-F124 VanDerWaalsContact NZ-CD1 3.25Å
99I97.4Very high94.3Very high49 Ų4973 Ų7325%0.25139%0.389SS..EExtended strand (participates in β ladder)trans-83.9121.6177.5-55.1177.9000107.9Y87 I88 F92 N97 L112Y87-I99 CarbonylContact C-O 3.57Å; Y87-I99 WeakPolarHBondContact CA-O 3.35Å; Y87-I99 WeakPolarHBondContact CB-O 3.43Å; I88-I99 HydrophobicContact CG2-CB 3.9Å; I88-I99 HydrophobicContact CG2-CG2 4.49Å; I88-I99 PolarHBondContact N-O 2.85Å; I88-I99 PolarHBondContact O-N 2.82Å; F92-I99 HydrophobicContact CE2-CD1 3.83Å; N97-I99 PolarHBondContact O-N 3.41Å; I99-L112 HydrophobicContact CD1-CD1 4.3Å; I99-L112 HydrophobicContact CD1-CD2 4Å; I99-L112 HydrophobicContact CG2-CD2 4.36Å
100P97.1Very high94.3Very high83 Ų8373.5 Ų73.554%0.53939%0.392SS..EExtended strand (participates in β ladder)trans-70.2139178.928.6-33.6000111.1Y87Y87-P100 HydrophobicContact CD1-CB 3.89Å; Y87-P100 HydrophobicContact CE1-CB 3.89Å
101L97.7Very high94.3Very high14 Ų1479 Ų797%0.07342%0.421CS..PPolyproline II helixtrans-89.7144172.3-81.468.8000110.5W79 V86 I88 F108 A110 F123W79-L101 HydrophobicContact CB-CD2 4.14Å; V86-L101 HydrophobicContact CB-CB 4.43Å; V86-L101 HydrophobicContact CG1-CB 4.37Å; V86-L101 HydrophobicContact CG1-CD1 4.35Å; V86-L101 HydrophobicContact CG1-CD2 3.94Å; V86-L101 HydrophobicContact CG1-CG 4.44Å; V86-L101 PolarHBondContact O-N 2.83Å; I88-L101 HydrophobicContact CB-CD1 3.73Å; I88-L101 HydrophobicContact CG2-CD1 3.55Å; L101-F108 HydrophobicContact CB-CB 3.8Å; L101-F108 HydrophobicContact CB-CD1 4.33Å; L101-F108 HydrophobicContact CD2-CB 3.8Å; L101-F108 HydrophobicContact CG-CB 4.45Å; L101-A110 HydrophobicContact CG-CB 4.1Å; L101-F123 HydrophobicContact CD2-CD1 4.22Å; L101-F123 HydrophobicContact CD2-CE1 3.81Å
102N96.3Very high94.3Very high128 Ų12878.1 Ų78.168%0.68441%0.413SS*.EExtended strand (participates in β ladder)trans-79.4124.3174.5-68.5-50.7000109.9F108 V109N102-F108 CarbonylContact O-C 3.55Å; N102-F108 WeakPolarHBondContact O-CA 3.3Å; N102-V109 PolarHBondContact N-O 2.87Å; N102-V109 PolarHBondContact O-N 3Å
103K95.1Very high94.3Very high134 Ų13480.9 Ų80.958%0.58343%0.43SS*.EExtended strand (participates in β ladder)trans-79.1122.9178.1-172.9170.5-173.7166.10110.9G83 F108G83-K103 PolarHBondContact O-NZ 2.79Å; K103-F108 HydrophobicContact CB-CD1 3.83Å; K103-F108 HydrophobicContact CB-CE1 3.57Å; K103-F108 HydrophobicContact CB-CZ 4.19Å; K103-F108 HydrophobicContact CD-CE1 3.72Å; K103-F108 HydrophobicContact CD-CE2 4.34Å; K103-F108 HydrophobicContact CD-CZ 3.52Å; K103-F108 HydrophobicContact CG-CD1 4.17Å; K103-F108 HydrophobicContact CG-CE1 3.67Å; K103-F108 HydrophobicContact CG-CE2 4.29Å; K103-F108 HydrophobicContact CG-CZ 3.74Å
104S89.8Confident94.4Very high67 Ų6779.3 Ų79.347%0.46942%0.422SS..  trans-95.8-165.5164.2-171.20000110D107S104-D107 WeakPolarHBondContact CA-O 3.43Å; S104-D107 WeakPolarHBondContact CB-O 3.47Å; S104-D107 PolarHBondContact N-O 2.85Å
105H85.8Confident94.4Very high180 Ų18074.2 Ų74.283%0.83340%0.396SS*.SBendtrans-64.5-48.2179.9-66.683.1000112
106N88.1Confident94.4Very high133 Ų13374.7 Ų74.771%0.71140%0.403SS*.SBendtrans-116.3-19.6-178.8-72-3.4000113.8
107D93.8Very high94.5Very high42 Ų4273.8 Ų73.823%0.22539%0.393CS..  trans-122.1154.9-168.9-58.4-21.2000111.4R78 S104 V109R78-D107 WeakPolarHBondContact CD-OD2 3.3Å; R78-D107 HydrophobicContact CG-CB 4.06Å; R78-D107 IonicContact NH1-OD2 3.78Å; S104-D107 WeakPolarHBondContact CA-O 3.43Å; S104-D107 WeakPolarHBondContact CB-O 3.47Å; S104-D107 PolarHBondContact N-O 2.85Å; D107-V109 HydrophobicContact CB-CG2 4.21Å
108F97.3Very high94.6Very high8 Ų873.4 Ų73.44%0.03539%0.387CS..EExtended strand (participates in β ladder)trans-108.1132.2164.6-70.9-98.7000108.5R78 W79 G83 V86 L101 N102 K103R78-F108 CarbonylContact C-O 3.53Å; R78-F108 WeakPolarHBondContact CA-O 3.26Å; W79-F108 HydrophobicContact CB-CB 4.15Å; W79-F108 AromaticContact CD1-CD2 3.9Å; W79-F108 PolarHBondContact N-O 2.86Å; W79-F108 PolarHBondContact O-N 3.09Å; G83-F108 VanDerWaalsContact O-CZ 3.32Å; G83-F108 WeakPolarHBondContact O-CZ 3.43Å; V86-F108 HydrophobicContact CB-CB 4.2Å; V86-F108 HydrophobicContact CB-CD1 3.63Å; V86-F108 HydrophobicContact CB-CD2 4.43Å; V86-F108 HydrophobicContact CB-CE1 3.99Å; V86-F108 HydrophobicContact CB-CG 3.85Å; V86-F108 HydrophobicContact CG1-CB 4.24Å; V86-F108 HydrophobicContact CG1-CG 4.37Å; V86-F108 HydrophobicContact CG2-CB 4.41Å; V86-F108 HydrophobicContact CG2-CD1 3.63Å; V86-F108 HydrophobicContact CG2-CD2 3.76Å; V86-F108 HydrophobicContact CG2-CE1 3.62Å; V86-F108 HydrophobicContact CG2-CE2 3.76Å; V86-F108 HydrophobicContact CG2-CG 3.68Å; V86-F108 HydrophobicContact CG2-CZ 3.67Å; L101-F108 HydrophobicContact CB-CB 3.8Å; L101-F108 HydrophobicContact CB-CD1 4.33Å; L101-F108 HydrophobicContact CD2-CB 3.8Å; L101-F108 HydrophobicContact CG-CB 4.45Å; N102-F108 CarbonylContact O-C 3.55Å; N102-F108 WeakPolarHBondContact O-CA 3.3Å; K103-F108 HydrophobicContact CB-CD1 3.83Å; K103-F108 HydrophobicContact CB-CE1 3.57Å; K103-F108 HydrophobicContact CB-CZ 4.19Å; K103-F108 HydrophobicContact CD-CE1 3.72Å; K103-F108 HydrophobicContact CD-CE2 4.34Å; K103-F108 HydrophobicContact CD-CZ 3.52Å; K103-F108 HydrophobicContact CG-CD1 4.17Å; K103-F108 HydrophobicContact CG-CE1 3.67Å; K103-F108 HydrophobicContact CG-CE2 4.29Å; K103-F108 HydrophobicContact CG-CZ 3.74Å
109V96.9Very high94.7Very high42 Ų4270.1 Ų70.126%0.25537%0.373SS..EExtended strand (participates in β ladder)trans-135.3141.9-173.1-175.40000111.7V76 I77 R78 N102 D107V76-V109 HydrophobicContact CG1-CG1 3.83Å; I77-V109 WeakPolarHBondContact O-CA 3.14Å; R78-V109 HydrophobicContact CB-CG2 4.38Å; R78-V109 HydrophobicContact CG-CG2 4.11Å; N102-V109 PolarHBondContact N-O 2.87Å; N102-V109 PolarHBondContact O-N 3Å; D107-V109 HydrophobicContact CB-CG2 4.21Å
110A96.1Very high94.6Very high9 Ų970.4 Ų70.47%0.07437%0.374CS..EExtended strand (participates in β ladder)trans-131.7144.4163.800000109.8I77 L101 L112I77-A110 PolarHBondContact N-O 3.22Å; I77-A110 PolarHBondContact O-N 2.92Å; L101-A110 HydrophobicContact CG-CB 4.1Å; A110-L112 HydrophobicContact CB-CD2 4.43Å; A110-L112 HydrophobicContact CB-CG 4.44Å
111I96.2Very high94.7Very high116 Ų11666.7 Ų66.760%0.59535%0.349SS*.EExtended strand (participates in β ladder)trans-109.6117.9170.2-56.8177.5000106.1P74 T75 V76P74-I111 HydrophobicContact CB-CG2 3.88Å; T75-I111 WeakPolarHBondContact O-CA 3.43Å; V76-I111 HydrophobicContact CG2-CG1 4.35Å
112L95.4Very high94.6Very high22 Ų2267.4 Ų67.412%0.11535%0.351CS..EExtended strand (participates in β ladder)trans-120.3134.3-176.9-58.5-177.7000109.9T75 I77 F92 I99 A110 L114T75-L112 PolarHBondContact N-O 2.74Å; T75-L112 PolarHBondContact O-N 3.02Å; I77-L112 HydrophobicContact CD1-CD1 3.83Å; F92-L112 HydrophobicContact CD2-CD1 4.22Å; F92-L112 HydrophobicContact CE1-CD1 4.14Å; F92-L112 HydrophobicContact CE2-CD1 3.54Å; F92-L112 HydrophobicContact CZ-CD1 3.49Å; F92-L112 VanDerWaalsContact CZ-CD1 3.49Å; I99-L112 HydrophobicContact CD1-CD1 4.3Å; I99-L112 HydrophobicContact CD1-CD2 4Å; I99-L112 HydrophobicContact CG2-CD2 4.36Å; A110-L112 HydrophobicContact CB-CD2 4.43Å; A110-L112 HydrophobicContact CB-CG 4.44Å; L112-L114 HydrophobicContact CB-CD2 4.04Å; L112-L114 HydrophobicContact CB-CG 4.23Å; L112-L114 PolarHBondContact O-N 2.88Å
113D94.9Very high94.7Very high112 Ų11261.3 Ų61.360%0.59932%0.319SS*.EExtended strand (participates in β ladder)trans-78.5104.3173-67.9-35.8000109.7R73 P74R73-D113 WeakPolarHBondContact O-CA 3.49Å; P74-D113 WeakPolarHBondContact CA-OD1 3.28Å
114L94.9Very high94.8Very high2 Ų256.7 Ų56.71%0.0130%0.299CS..EExtended strand (participates in β ladder)trans-109.9135.7-178.3-57.8-174000110.4S72 R73 T75 F92 L112 H119 I149 V151S72-L114 CarbonylContact C-O 3.53Å; S72-L114 WeakPolarHBondContact CA-O 3.36Å; R73-L114 PolarHBondContact N-O 3.15Å; R73-L114 PolarHBondContact O-N 3.35Å; T75-L114 HydrophobicContact CG2-CD1 4.07Å; F92-L114 HydrophobicContact CB-CD2 3.52Å; F92-L114 HydrophobicContact CD1-CD1 4.5Å; F92-L114 HydrophobicContact CD1-CD2 3.73Å; F92-L114 HydrophobicContact CD2-CD2 4.27Å; F92-L114 HydrophobicContact CG-CD2 3.57Å; L112-L114 HydrophobicContact CB-CD2 4.04Å; L112-L114 HydrophobicContact CB-CG 4.23Å; L112-L114 PolarHBondContact O-N 2.88Å; L114-H119 HydrophobicContact CD1-CB 4.43Å; L114-I149 HydrophobicContact CD1-CG2 4.38Å; L114-V151 HydrophobicContact CB-CG2 4.13Å; L114-V151 HydrophobicContact CD1-CG2 4.26Å
115P93.9Very high95.2Very high41 Ų4154.3 Ų54.327%0.26628%0.281SS..  trans-67.6159.3170.930.7-34.1000110.6P70 H119P70-P115 HydrophobicContact CB-CB 4.41Å; P115-H119 PolarHBondContact O-NE2 3.32Å
116E93.9Very high95.7Very high115 Ų11549.9 Ų49.954%0.53726%0.264SS..SBendtrans-55.2140.9174.2-165-178.8-177.300111.4V151 Q153E116-V151 WeakPolarHBondContact CA-O 3.42Å; E116-V151 WeakPolarHBondContact CG-O 3.45Å; E116-Q153 PolarHBondContact OE1-N 3.08Å; E116-Q153 VanDerWaalsContact OE1-N 3.14Å
117G94.6Very high96.1Very high29 Ų2945.9 Ų45.930%0.29925%0.254SS..EExtended strand (participates in β ladder)trans122.4-169.1179.100000113.8H119 V151G117-H119 PolarHBondContact O-CD2 3.24Å; G117-V151 PolarHBondContact N-O 3.01Å; G117-V151 PolarHBondContact O-N 3.34Å
118E96.2Very high96.2Very high131 Ų13150.5 Ų50.561%0.61227%0.274SS*.EExtended strand (participates in β ladder)trans-86.2130.2-177.1-73.3-175.8-175.800112.3L148 E150E118-L148 HydrophobicContact CB-CD1 3.97Å; E118-L148 HydrophobicContact CG-CD1 4.28Å; E118-E150 HydrophobicContact CG-CG 4.45Å
119H96.4Very high96.2Very high15 Ų1555.7 Ų55.77%0.06929%0.294CS..EExtended strand (participates in β ladder)trans-125128.4175.4-60.4-80.3000111.2S91 F92 L114 P115 G117 I149S91-H119 WeakPolarHBondContact OG-CA 3.37Å; F92-H119 HydrophobicContact CD1-CB 4.45Å; L114-H119 HydrophobicContact CD1-CB 4.43Å; P115-H119 PolarHBondContact O-NE2 3.32Å; G117-H119 PolarHBondContact O-CD2 3.24Å; H119-I149 HydrophobicContact CB-CG2 3.83Å; H119-I149 PolarHBondContact N-O 2.98Å; H119-I149 PolarHBondContact O-N 2.92Å
120Q97.1Very high96.2Very high56 Ų5655.6 Ų55.626%0.26229%0.293SS..EExtended strand (participates in β ladder)trans-93.5137.4173.1-64.8-175.424.700109.8G90 S91 W95 V138 N146 N147 L148G90-Q120 CarbonylContact C-O 3.59Å; G90-Q120 WeakPolarHBondContact CA-O 3.34Å; S91-Q120 PolarHBondContact N-O 3.31Å; S91-Q120 PolarHBondContact OG-N 2.82Å; S91-Q120 VanDerWaalsContact OG-N 3.11Å; S91-Q120 PolarHBondContact OG-O 2.86Å; W95-Q120 HydrophobicContact CZ2-CB 3.89Å; Q120-V138 VanDerWaalsContact CD-CG1 3.48Å; Q120-V138 HydrophobicContact CG-CG1 3.69Å; Q120-N146 HydrophobicContact CB-CB 4.32Å; Q120-N146 PolarHBondContact OE1-ND2 2.92Å; Q120-N147 CarbonylContact C-O 3.6Å; Q120-N147 VanDerWaalsContact CA-O 3.29Å; Q120-N147 WeakPolarHBondContact CA-O 3.38Å; Q120-L148 HydrophobicContact CG-CD1 4.15Å
121Y97.4Very high96.2Very high5 Ų558.2 Ų58.22%0.0230%0.304CS..EExtended strand (participates in β ladder)trans-145.4164.6179.169.4-84.3000112.4I77 I88 A89 F123 N147 I149I77-Y121 HydrophobicContact CG2-CD2 4.37Å; I77-Y121 HydrophobicContact CG2-CE2 3.94Å; I88-Y121 HydrophobicContact CD1-CD2 3.57Å; I88-Y121 HydrophobicContact CD1-CE2 4.33Å; I88-Y121 HydrophobicContact CD1-CG 4.07Å; I88-Y121 HydrophobicContact CG1-CD2 4.17Å; A89-Y121 CarbonylContact O-C 3.56Å; A89-Y121 WeakPolarHBondContact O-CA 3.32Å; Y121-F123 HydrophobicContact CD2-CE2 4.16Å; Y121-F123 HydrophobicContact CD2-CZ 4.24Å; Y121-F123 HydrophobicContact CE2-CD2 4.43Å; Y121-F123 AromaticContact CE2-CE2 3.56Å; Y121-F123 HydrophobicContact CE2-CE2 3.56Å; Y121-F123 AromaticContact CE2-CZ 3.69Å; Y121-F123 HydrophobicContact CE2-CZ 3.69Å; Y121-N147 HydrophobicContact CD1-CB 3.87Å; Y121-N147 HydrophobicContact CD2-CB 3.98Å; Y121-N147 HydrophobicContact CE1-CB 3.4Å; Y121-N147 HydrophobicContact CE2-CB 3.53Å; Y121-N147 HydrophobicContact CG-CB 4.14Å; Y121-N147 PolarHBondContact N-O 2.94Å; Y121-N147 PolarHBondContact O-N 2.53Å; Y121-I149 HydrophobicContact CD1-CB 4.46Å; Y121-I149 HydrophobicContact CD1-CG2 3.99Å; Y121-I149 HydrophobicContact CE1-CB 3.93Å; Y121-I149 HydrophobicContact CE1-CG2 3.95Å
122K97.3Very high96.2Very high29 Ų2953.4 Ų53.413%0.12628%0.279CS..EExtended strand (participates in β ladder)trans-150.9147.1176.8-158.3168.5-170.5159.70111.4A89 W95 W129 V130 I145A89-K122 PolarHBondContact N-O 3.05Å; A89-K122 VanDerWaalsContact N-O 3.13Å; A89-K122 PolarHBondContact O-N 2.97Å; W95-K122 HydrophobicContact CH2-CB 4.19Å; W95-K122 HydrophobicContact CZ3-CB 3.79Å; K122-W129 HydrophobicContact CB-CE3 3.97Å; K122-W129 HydrophobicContact CB-CZ3 4.1Å; K122-W129 HydrophobicContact CD-CB 4.22Å; K122-W129 HydrophobicContact CD-CE3 4.04Å; K122-W129 HydrophobicContact CG-CE3 3.9Å; K122-V130 WeakPolarHBondContact CG-O 3.44Å; K122-I145 VanDerWaalsContact CE-O 3.26Å; K122-I145 WeakPolarHBondContact CE-O 3.38Å; K122-I145 PolarHBondContact NZ-O 2.77Å
123F98.1Very high96.2Very high0 Ų057.6 Ų57.60%031%0.308CS..EExtended strand (participates in β ladder)trans-90.8144.1177.1-62.2-78.8000111.4I77 W79 V86 Y87 I88 L101 Y121 V125 W129 V130 D132I77-F123 HydrophobicContact CG2-CE1 4.07Å; I77-F123 HydrophobicContact CG2-CZ 3.77Å; W79-F123 HydrophobicContact CB-CD1 4.11Å; W79-F123 HydrophobicContact CB-CE1 3.79Å; W79-F123 HydrophobicContact CB-CZ 4.05Å; W79-F123 HydrophobicContact CD2-CD2 4.36Å; W79-F123 HydrophobicContact CD2-CG 4.31Å; W79-F123 HydrophobicContact CE3-CB 4.37Å; W79-F123 HydrophobicContact CE3-CD1 4.37Å; W79-F123 AromaticContact CE3-CD2 3.45Å; W79-F123 HydrophobicContact CE3-CD2 3.45Å; W79-F123 VanDerWaalsContact CE3-CD2 3.45Å; W79-F123 AromaticContact CE3-CE2 3.69Å; W79-F123 HydrophobicContact CE3-CE2 3.69Å; W79-F123 AromaticContact CE3-CG 3.81Å; W79-F123 HydrophobicContact CE3-CG 3.81Å; W79-F123 HydrophobicContact CE3-CZ 4.25Å; W79-F123 AromaticContact CZ3-CD2 3.83Å; W79-F123 HydrophobicContact CZ3-CD2 3.83Å; W79-F123 HydrophobicContact CZ3-CE2 4.32Å; W79-F123 HydrophobicContact CZ3-CG 4.35Å; V86-F123 HydrophobicContact CG1-CD1 4.24Å; Y87-F123 CarbonylContact O-C 3.55Å; Y87-F123 VanDerWaalsContact O-CA 3.32Å; Y87-F123 WeakPolarHBondContact O-CA 3.38Å; I88-F123 HydrophobicContact CB-CD1 4.37Å; I88-F123 HydrophobicContact CD1-CE1 4.16Å; L101-F123 HydrophobicContact CD2-CD1 4.22Å; L101-F123 HydrophobicContact CD2-CE1 3.81Å; Y121-F123 HydrophobicContact CD2-CE2 4.16Å; Y121-F123 HydrophobicContact CD2-CZ 4.24Å; Y121-F123 HydrophobicContact CE2-CD2 4.43Å; Y121-F123 AromaticContact CE2-CE2 3.56Å; Y121-F123 HydrophobicContact CE2-CE2 3.56Å; Y121-F123 AromaticContact CE2-CZ 3.69Å; Y121-F123 HydrophobicContact CE2-CZ 3.69Å; F123-V125 HydrophobicContact CB-CG2 4.06Å; F123-W129 CarbonylContact O-C 3.38Å; F123-W129 WeakPolarHBondContact O-CA 3.33Å; F123-V130 HydrophobicContact CB-CG2 4.01Å; F123-V130 PolarHBondContact N-O 3.23Å; F123-V130 PolarHBondContact O-N 2.79Å; F123-V130 VanDerWaalsContact O-O 3.09Å; F123-D132 HydrophobicContact CE2-CB 4.03Å
124F97.8Very high96.2Very high36 Ų3656.6 Ų56.616%0.15831%0.309CS..EExtended strand (participates in β ladder)trans-115.1101.6168.9-171.9-97.9000108.1Y87 K98 G127 Q128 W129Y87-F124 HydrophobicContact CD2-CD1 4Å; Y87-F124 PolarHBondContact N-O 2.87Å; Y87-F124 PolarHBondContact O-N 3.06Å; K98-F124 HydrophobicContact CD-CB 4.2Å; K98-F124 HydrophobicContact CD-CD1 3.83Å; K98-F124 HydrophobicContact CD-CE1 4.36Å; K98-F124 HydrophobicContact CD-CG 3.97Å; K98-F124 VanDerWaalsContact NZ-CD1 3.25Å; F124-G127 VanDerWaalsContact CE2-C 3.42Å; F124-G127 VanDerWaalsContact CE2-O 3.24Å; F124-G127 WeakPolarHBondContact CE2-O 3.48Å; F124-G127 VanDerWaalsContact CZ-O 3.28Å; F124-G127 WeakPolarHBondContact CZ-O 3.45Å; F124-Q128 CarbonylContact C-O 3.58Å; F124-Q128 WeakPolarHBondContact CA-O 3.24Å; F124-W129 HydrophobicContact CB-CD2 4.37Å; F124-W129 HydrophobicContact CB-CE3 4.06Å; F124-W129 HydrophobicContact CB-CH2 4.33Å; F124-W129 HydrophobicContact CB-CZ3 4.04Å; F124-W129 AromaticContact CD2-CD1 3.94Å; F124-W129 AromaticContact CD2-CD2 3.72Å; F124-W129 HydrophobicContact CD2-CD2 3.72Å; F124-W129 AromaticContact CD2-CE2 3.63Å; F124-W129 HydrophobicContact CD2-CE3 4.27Å; F124-W129 AromaticContact CD2-CG 3.94Å; F124-W129 HydrophobicContact CD2-CG 3.94Å; F124-W129 HydrophobicContact CD2-CZ2 4.14Å; F124-W129 AromaticContact CD2-NE1 3.76Å; F124-W129 AromaticContact CE2-NE1 3.96Å
125V97.6Very high96.3Very high17 Ų1760.4 Ų60.410%0.10333%0.327CS..EExtended strand (participates in β ladder)trans-112.6120.7-173.2179.70000108.5W79 G82 V86 F123 G127 Q128 V130W79-V125 HydrophobicContact CD2-CG2 4.43Å; W79-V125 HydrophobicContact CZ2-CG2 3.9Å; G82-V125 WeakPolarHBondContact O-CG1 3.42Å; V86-V125 HydrophobicContact CG1-CG2 4.01Å; V86-V125 HydrophobicContact CG2-CG1 4.22Å; V86-V125 HydrophobicContact CG2-CG2 4.17Å; F123-V125 HydrophobicContact CB-CG2 4.06Å; V125-G127 PolarHBondContact O-N 2.94Å; V125-Q128 PolarHBondContact N-O 3.11Å; V125-Q128 PolarHBondContact O-N 3.11Å; V125-V130 HydrophobicContact CB-CG2 3.94Å; V125-V130 HydrophobicContact CG2-CG2 3.48Å; V125-V130 VanDerWaalsContact CG2-CG2 3.48Å
126D96.2Very high96.4Very high87 Ų8762.3 Ų62.347%0.46534%0.34SS..THydrogen-bonded Turntrans48.337.8174.9-64.4-19.1000114.2G83 K84 E85G83-D126 WeakPolarHBondContact CA-OD2 3.5Å; K84-D126 WeakPolarHBondContact CA-OD1 3.32Å; K84-D126 WeakPolarHBondContact CB-OD1 3.36Å; K84-D126 PolarHBondContact N-OD1 3.46Å; K84-D126 PolarHBondContact N-OD2 2.94Å; E85-D126 PolarHBondContact N-OD1 2.81Å; E85-D126 PolarHBondContact O-N 3.48Å
127G95.5Very high96.6Very high49 Ų4960.4 Ų60.451%0.50534%0.335SS..THydrogen-bonded Turntrans96-4.5178.700000115.4F124 V125F124-G127 VanDerWaalsContact CE2-C 3.42Å; F124-G127 VanDerWaalsContact CE2-O 3.24Å; F124-G127 WeakPolarHBondContact CE2-O 3.48Å; F124-G127 VanDerWaalsContact CZ-O 3.28Å; F124-G127 WeakPolarHBondContact CZ-O 3.45Å; V125-G127 PolarHBondContact O-N 2.94Å
128Q96.3Very high96.7Very high139 Ų13961.1 Ų61.165%0.6533%0.334SS*.EExtended strand (participates in β ladder)trans-120.8140.7-174.5-62.3-168-15.500112.9F124 V125 V130F124-Q128 CarbonylContact C-O 3.58Å; F124-Q128 WeakPolarHBondContact CA-O 3.24Å; V125-Q128 PolarHBondContact N-O 3.11Å; V125-Q128 PolarHBondContact O-N 3.11Å; Q128-V130 HydrophobicContact CB-CG1 4.49Å
129W96.5Very high96.7Very high117 Ų11759.4 Ų59.444%0.44333%0.333SS..EExtended strand (participates in β ladder)trans-81.3116.8173.5-73.7107000110.6A89 K122 F123 F124A89-W129 HydrophobicContact CB-CH2 3.85Å; A89-W129 HydrophobicContact CB-CZ3 4.2Å; K122-W129 HydrophobicContact CB-CE3 3.97Å; K122-W129 HydrophobicContact CB-CZ3 4.1Å; K122-W129 HydrophobicContact CD-CB 4.22Å; K122-W129 HydrophobicContact CD-CE3 4.04Å; K122-W129 HydrophobicContact CG-CE3 3.9Å; F123-W129 CarbonylContact O-C 3.38Å; F123-W129 WeakPolarHBondContact O-CA 3.33Å; F124-W129 HydrophobicContact CB-CD2 4.37Å; F124-W129 HydrophobicContact CB-CE3 4.06Å; F124-W129 HydrophobicContact CB-CH2 4.33Å; F124-W129 HydrophobicContact CB-CZ3 4.04Å; F124-W129 AromaticContact CD2-CD1 3.94Å; F124-W129 AromaticContact CD2-CD2 3.72Å; F124-W129 HydrophobicContact CD2-CD2 3.72Å; F124-W129 AromaticContact CD2-CE2 3.63Å; F124-W129 HydrophobicContact CD2-CE3 4.27Å; F124-W129 AromaticContact CD2-CG 3.94Å; F124-W129 HydrophobicContact CD2-CG 3.94Å; F124-W129 HydrophobicContact CD2-CZ2 4.14Å; F124-W129 AromaticContact CD2-NE1 3.76Å; F124-W129 AromaticContact CE2-NE1 3.96Å
130V96.8Very high96.4Very high40 Ų4060.4 Ų60.424%0.24234%0.341CS..EExtended strand (participates in β ladder)trans-131159.5-178.9-60.40000110.2W79 K122 F123 V125 Q128W79-V130 HydrophobicContact CH2-CB 4.37Å; W79-V130 HydrophobicContact CH2-CG2 3.61Å; W79-V130 HydrophobicContact CZ2-CG2 4Å; W79-V130 HydrophobicContact CZ3-CG2 4.17Å; K122-V130 WeakPolarHBondContact CG-O 3.44Å; F123-V130 HydrophobicContact CB-CG2 4.01Å; F123-V130 PolarHBondContact N-O 3.23Å; F123-V130 PolarHBondContact O-N 2.79Å; F123-V130 VanDerWaalsContact O-O 3.09Å; V125-V130 HydrophobicContact CB-CG2 3.94Å; V125-V130 HydrophobicContact CG2-CG2 3.48Å; V125-V130 VanDerWaalsContact CG2-CG2 3.48Å; Q128-V130 HydrophobicContact CB-CG1 4.49Å
131H96.9Very high95.8Very high65 Ų6567.5 Ų67.530%0.30137%0.374SS..  trans-118.8157.3173.568.6-84000108.5P133 N147H131-P133 WeakPolarHBondContact O-CD 3.33Å; H131-N147 VanDerWaalsContact CA-OD1 3.3Å; H131-N147 WeakPolarHBondContact CA-OD1 3.36Å; H131-N147 VanDerWaalsContact CB-OD1 3.3Å; H131-N147 WeakPolarHBondContact CB-OD1 3.41Å
132D96.8Very high95.3Very high14 Ų1474.8 Ų74.88%0.07541%0.413CS..  trans-80.3120173.1-165.6-25.7000109.8W79 F123 S134 E135 N147W79-D132 HydrophobicContact CE3-CB 4.24Å; W79-D132 HydrophobicContact CZ3-CB 4.08Å; F123-D132 HydrophobicContact CE2-CB 4.03Å; D132-S134 VanDerWaalsContact C-N 3.3Å; D132-S134 PolarHBondContact O-N 3.38Å; D132-S134 PolarHBondContact OD1-N 3.34Å; D132-S134 PolarHBondContact OD1-OG 3.23Å; D132-E135 HydrophobicContact CB-CB 4.29Å; D132-E135 HydrophobicContact CB-CG 4.11Å; D132-N147 PolarHBondContact N-OD1 3.15Å; D132-N147 PolarHBondContact O-ND2 2.89Å
133P95.3Very high94.9Very high110 Ų11076 Ų7671%0.71443%0.433SS*.THydrogen-bonded Turntrans-73.9-13.9178.631.3-36.9000114.3H131H131-P133 WeakPolarHBondContact O-CD 3.33Å
134S95.1Very high94.7Very high91 Ų9178.9 Ų78.964%0.63645%0.451SS*.THydrogen-bonded Turntrans-83.3-16.417665.60000113.5D132D132-S134 VanDerWaalsContact C-N 3.3Å; D132-S134 PolarHBondContact O-N 3.38Å; D132-S134 PolarHBondContact OD1-N 3.34Å; D132-S134 PolarHBondContact OD1-OG 3.23Å
135E96.5Very high94.6Very high83 Ų8380.3 Ų80.339%0.38846%0.46SS..SBendtrans-100.9154-176.9-63.3-59.1139.300111.5D132D132-E135 HydrophobicContact CB-CB 4.29Å; D132-E135 HydrophobicContact CB-CG 4.11Å
136P96.9Very high94.6Very high81 Ų8179.8 Ų79.853%0.52646%0.456SS..  trans-54.4144.8175-25.434.9000112.7N147 L148P136-N147 CarbonylContact O-C 3.48Å; P136-N147 VanDerWaalsContact O-CA 3.28Å; P136-N147 WeakPolarHBondContact O-CA 3Å; P136-N147 PolarHBondContact O-ND2 3.31Å; P136-L148 PolarHBondContact O-N 2.99Å
137V97.4Very high94.7Very high74 Ų7475.7 Ų75.745%0.44843%0.434SS..EExtended strand (participates in β ladder)trans-128.8150.7180-65.40000112.2I145 N146 N147V137-I145 HydrophobicContact CB-CG2 3.89Å; V137-I145 HydrophobicContact CG1-CG2 4.09Å; V137-I145 HydrophobicContact CG2-CG2 4.3Å; V137-N146 CarbonylContact C-O 3.54Å; V137-N146 VanDerWaalsContact CA-O 3.24Å; V137-N146 WeakPolarHBondContact CA-O 3.39Å; V137-N146 WeakPolarHBondContact CB-O 3.28Å; V137-N147 WeakPolarHBondContact CG1-ND2 3.38Å
138V97Very high94.8Very high44 Ų4475 Ų7527%0.26742%0.419SS..EExtended strand (participates in β ladder)trans-129.7142.4172.365.10000110Q120 N146 L148Q120-V138 VanDerWaalsContact CD-CG1 3.48Å; Q120-V138 HydrophobicContact CG-CG1 3.69Å; V138-N146 PolarHBondContact N-O 2.81Å; V138-N146 PolarHBondContact O-N 3.18Å; V138-L148 HydrophobicContact CG1-CB 4.26Å
139T96Very high94.8Very high96 Ų9670.2 Ų70.259%0.58940%0.397SS*.EExtended strand (participates in β ladder)trans-91.6118.3174.4-57.20000109.1
140S89.1Confident94.7Very high35 Ų3569.5 Ų69.525%0.24540%0.399CS..  trans-68.5161.8176-176.60000111.6L142 G143 T144S140-L142 PolarHBondContact O-N 3.1Å; S140-L142 VanDerWaalsContact O-N 3.09Å; S140-G143 WeakPolarHBondContact O-CA 3.29Å; S140-G143 PolarHBondContact O-N 2.83Å; S140-T144 WeakPolarHBondContact CB-O 3.38Å; S140-T144 WeakPolarHBondContact CB-OG1 3.45Å; S140-T144 PolarHBondContact N-O 3.36Å
141Q85.4Confident94.6Very high206 Ų20667.8 Ų67.896%0.96339%0.388SS*.THydrogen-bonded Turntrans-57.3-26.2177.2-60.6177.218.700113G143Q141-G143 VanDerWaalsContact C-N 3.26Å; Q141-G143 PolarHBondContact O-N 2.94Å
142L86.9Confident94.4Very high157 Ų15768 Ų6882%0.82239%0.389SS*.THydrogen-bonded Turntrans-84.95.7176.7-59.2176.5000113.3S140 T144S140-L142 PolarHBondContact O-N 3.1Å; S140-L142 VanDerWaalsContact O-N 3.09Å; L142-T144 VanDerWaalsContact C-N 3.3Å; L142-T144 PolarHBondContact O-N 3.46Å
143G89.3Confident93.9Very high54 Ų5471.6 Ų71.656%0.55741%0.405SS*.SBendtrans79.75.3-179.200000114.7S140 Q141S140-G143 WeakPolarHBondContact O-CA 3.29Å; S140-G143 PolarHBondContact O-N 2.83Å; Q141-G143 VanDerWaalsContact C-N 3.26Å; Q141-G143 PolarHBondContact O-N 2.94Å
144T93Very high93.5Very high61 Ų6167.5 Ų67.537%0.37438%0.379SS..  trans-82.2131.2177.259.20000111.1S140 L142S140-T144 WeakPolarHBondContact CB-O 3.38Å; S140-T144 WeakPolarHBondContact CB-OG1 3.45Å; S140-T144 PolarHBondContact N-O 3.36Å; L142-T144 VanDerWaalsContact C-N 3.3Å; L142-T144 PolarHBondContact O-N 3.46Å
145I96.5Very high93.1Very high67 Ų6766.7 Ų66.734%0.34437%0.368SS..EExtended strand (participates in β ladder)trans-83.2125.9172.4-55.9172.9000109K122 V137K122-I145 VanDerWaalsContact CE-O 3.26Å; K122-I145 WeakPolarHBondContact CE-O 3.38Å; K122-I145 PolarHBondContact NZ-O 2.77Å; V137-I145 HydrophobicContact CB-CG2 3.89Å; V137-I145 HydrophobicContact CG1-CG2 4.09Å; V137-I145 HydrophobicContact CG2-CG2 4.3Å
146N97.4Very high92.5Very high6 Ų666 Ų663%0.03236%0.363CS..EExtended strand (participates in β ladder)trans-125.3151177.1-61.5-26.4000109W95 Q120 V137 V138W95-N146 HydrophobicContact CH2-CB 4.12Å; W95-N146 VanDerWaalsContact CH2-CG 3.45Å; W95-N146 WeakPolarHBondContact CH2-ND2 3.17Å; W95-N146 WeakPolarHBondContact CZ2-ND2 3.47Å; Q120-N146 HydrophobicContact CB-CB 4.32Å; Q120-N146 PolarHBondContact OE1-ND2 2.92Å; V137-N146 CarbonylContact C-O 3.54Å; V137-N146 VanDerWaalsContact CA-O 3.24Å; V137-N146 WeakPolarHBondContact CA-O 3.39Å; V137-N146 WeakPolarHBondContact CB-O 3.28Å; V138-N146 PolarHBondContact N-O 2.81Å; V138-N146 PolarHBondContact O-N 3.18Å
147N97.7Very high92.2Very high0 Ų067.2 Ų67.20%036%0.362CS..EExtended strand (participates in β ladder)trans-72.3152.2167.3-68.6108.4000110.3Q120 Y121 H131 D132 P136 V137Q120-N147 CarbonylContact C-O 3.6Å; Q120-N147 VanDerWaalsContact CA-O 3.29Å; Q120-N147 WeakPolarHBondContact CA-O 3.38Å; Y121-N147 HydrophobicContact CD1-CB 3.87Å; Y121-N147 HydrophobicContact CD2-CB 3.98Å; Y121-N147 HydrophobicContact CE1-CB 3.4Å; Y121-N147 HydrophobicContact CE2-CB 3.53Å; Y121-N147 HydrophobicContact CG-CB 4.14Å; Y121-N147 PolarHBondContact N-O 2.94Å; Y121-N147 PolarHBondContact O-N 2.53Å; H131-N147 VanDerWaalsContact CA-OD1 3.3Å; H131-N147 WeakPolarHBondContact CA-OD1 3.36Å; H131-N147 VanDerWaalsContact CB-OD1 3.3Å; H131-N147 WeakPolarHBondContact CB-OD1 3.41Å; D132-N147 PolarHBondContact N-OD1 3.15Å; D132-N147 PolarHBondContact O-ND2 2.89Å; P136-N147 CarbonylContact O-C 3.48Å; P136-N147 VanDerWaalsContact O-CA 3.28Å; P136-N147 WeakPolarHBondContact O-CA 3Å; P136-N147 PolarHBondContact O-ND2 3.31Å; V137-N147 WeakPolarHBondContact CG1-ND2 3.38Å
148L97.3Very high91.8Very high36 Ų3668.5 Ų68.519%0.18837%0.37CS..EExtended strand (participates in β ladder)trans-121.5129.3177.8-178.766.8000108.6E118 Q120 P136 V138E118-L148 HydrophobicContact CB-CD1 3.97Å; E118-L148 HydrophobicContact CG-CD1 4.28Å; Q120-L148 HydrophobicContact CG-CD1 4.15Å; P136-L148 PolarHBondContact O-N 2.99Å; V138-L148 HydrophobicContact CG1-CB 4.26Å
149I96.3Very high91.5Very high37 Ų3774.6 Ų74.619%0.1939%0.393CS..EExtended strand (participates in β ladder)trans-121.3132.3169.4-173.4162.7000108.8T75 L114 H119 Y121T75-I149 HydrophobicContact CG2-CD1 3.44Å; T75-I149 VanDerWaalsContact CG2-CD1 3.44Å; T75-I149 HydrophobicContact CG2-CG1 4.46Å; L114-I149 HydrophobicContact CD1-CG2 4.38Å; H119-I149 HydrophobicContact CB-CG2 3.83Å; H119-I149 PolarHBondContact N-O 2.98Å; H119-I149 PolarHBondContact O-N 2.92Å; Y121-I149 HydrophobicContact CD1-CB 4.46Å; Y121-I149 HydrophobicContact CD1-CG2 3.99Å; Y121-I149 HydrophobicContact CE1-CB 3.93Å; Y121-I149 HydrophobicContact CE1-CG2 3.95Å
150E95.5Very high91.1Very high103 Ų10373.5 Ų73.548%0.48138%0.384SS..EExtended strand (participates in β ladder)trans-103.5119.4174.1-168.3-177-174.200107.6E118 K152E118-E150 HydrophobicContact CG-CG 4.45Å; E150-K152 HydrophobicContact CG-CG 4.19Å; E150-K152 WeakPolarHBondContact OE1-CE 3.31Å; E150-K152 IonicContact OE1-NZ 2.96Å; E150-K152 WeakPolarHBondContact OE2-CE 2.91Å; E150-K152 IonicContact OE2-NZ 3.85Å; E150-K152 PolarHBondContact OE2-NZ 3.06Å
151V94.7Very high91.2Very high3 Ų372.9 Ų72.92%0.01838%0.381CS..EExtended strand (participates in β ladder)trans-100.3113.9176.4179.50000107T75 L114 E116 G117 F156T75-V151 HydrophobicContact CG2-CG2 4.18Å; L114-V151 HydrophobicContact CB-CG2 4.13Å; L114-V151 HydrophobicContact CD1-CG2 4.26Å; E116-V151 WeakPolarHBondContact CA-O 3.42Å; E116-V151 WeakPolarHBondContact CG-O 3.45Å; G117-V151 PolarHBondContact N-O 3.01Å; G117-V151 PolarHBondContact O-N 3.34Å; V151-F156 HydrophobicContact CG1-CE2 3.69Å; V151-F156 HydrophobicContact CG1-CZ 3.9Å
152K91.4Very high91.4Very high71 Ų7168 Ų6831%0.30936%0.361SS..  trans-104.7159.5-179.3-65176.7-178.1163.20111.7E150 S154 D155 F156E150-K152 HydrophobicContact CG-CG 4.19Å; E150-K152 WeakPolarHBondContact OE1-CE 3.31Å; E150-K152 IonicContact OE1-NZ 2.96Å; E150-K152 WeakPolarHBondContact OE2-CE 2.91Å; E150-K152 IonicContact OE2-NZ 3.85Å; E150-K152 PolarHBondContact OE2-NZ 3.06Å; K152-S154 WeakPolarHBondContact CB-OG 3.48Å; K152-S154 PolarHBondContact O-N 3.26Å; K152-D155 WeakPolarHBondContact CB-OD2 3.05Å; K152-D155 PolarHBondContact N-OD2 3.23Å; K152-D155 PolarHBondContact O-N 3.08Å; K152-F156 VanDerWaalsContact O-CD2 3.32Å; K152-F156 WeakPolarHBondContact O-CD2 3.31Å; K152-F156 WeakPolarHBondContact O-CE2 3.35Å
153Q87.8Confident91.4Very high89 Ų8966.3 Ų66.342%0.41635%0.348SS..G310 helixtrans-56.4-39.2169.4-177.865.225.400112.7R73 E116 D155R73-Q153 VanDerWaalsContact NH1-CA 3.33Å; R73-Q153 PolarHBondContact NH1-O 2.93Å; E116-Q153 PolarHBondContact OE1-N 3.08Å; E116-Q153 VanDerWaalsContact OE1-N 3.14Å; Q153-D155 VanDerWaalsContact C-N 3.28Å; Q153-D155 PolarHBondContact O-N 3.31Å
154S86.5Confident91.2Very high23 Ų2366.2 Ų66.216%0.16134%0.337CS..G310 helixtrans-64.8-25.4-176.850.40000114.3K152 F156 E157 A161K152-S154 WeakPolarHBondContact CB-OG 3.48Å; K152-S154 PolarHBondContact O-N 3.26Å; S154-F156 PolarHBondContact O-N 3.31Å; S154-E157 PolarHBondContact O-N 3.08Å; S154-A161 PolarHBondContact O-N 2.82Å
155D86.7Confident90.9Very high75 Ų7567.9 Ų67.940%0.40134%0.343SS..G310 helixtrans-71.3-6.8-170.7-54.8-21.8000113.3K152 Q153K152-D155 WeakPolarHBondContact CB-OD2 3.05Å; K152-D155 PolarHBondContact N-OD2 3.23Å; K152-D155 PolarHBondContact O-N 3.08Å; Q153-D155 VanDerWaalsContact C-N 3.28Å; Q153-D155 PolarHBondContact O-N 3.31Å
156F84.7Confident90.4Very high69 Ų6966.7 Ų66.730%0.30334%0.341SS..G310 helixtrans-115.3-18.8-173.4-60.9-89000113.1R73 P74 V151 K152 S154R73-F156 HydrophobicContact CB-CD1 3.91Å; R73-F156 HydrophobicContact CB-CD2 4.39Å; R73-F156 HydrophobicContact CB-CE1 3.28Å; R73-F156 HydrophobicContact CB-CE2 3.78Å; R73-F156 HydrophobicContact CB-CG 4.42Å; R73-F156 HydrophobicContact CB-CZ 3.18Å; R73-F156 HydrophobicContact CG-CD1 4.42Å; R73-F156 HydrophobicContact CG-CD2 4.45Å; R73-F156 HydrophobicContact CG-CE1 4.21Å; R73-F156 HydrophobicContact CG-CE2 4.16Å; R73-F156 HydrophobicContact CG-CZ 4.04Å; P74-F156 HydrophobicContact CG-CE1 4.39Å; P74-F156 WeakPolarHBondContact O-CE1 3.19Å; V151-F156 HydrophobicContact CG1-CE2 3.69Å; V151-F156 HydrophobicContact CG1-CZ 3.9Å; K152-F156 VanDerWaalsContact O-CD2 3.32Å; K152-F156 WeakPolarHBondContact O-CD2 3.31Å; K152-F156 WeakPolarHBondContact O-CE2 3.35Å; S154-F156 PolarHBondContact O-N 3.31Å
157E89.4Confident89.6Confident106 Ų10672.9 Ų72.950%0.49537%0.373SS..SBendtrans-92.1112.1168.7-71.6-61.8162.900107.9S154 F159 D160 A161S154-E157 PolarHBondContact O-N 3.08Å; E157-F159 PolarHBondContact O-N 3.37Å; E157-F159 VanDerWaalsContact O-N 3.12Å; E157-D160 HydrophobicContact CB-CB 3.94Å; E157-D160 PolarHBondContact O-N 3.09Å; E157-A161 PolarHBondContact O-N 3.3Å
158V89.4Confident88.8Confident101 Ų10180 Ų8061%0.61241%0.407SS*.Hα-helixtrans-55.9-38.5-170.31770000112L162V158-L162 HydrophobicContact CG1-CD1 3.98Å; V158-L162 HydrophobicContact CG1-CG 4.49Å; V158-L162 WeakPolarHBondContact O-CB 3.38Å; V158-L162 WeakPolarHBondContact O-CG 3.37Å; V158-L162 PolarHBondContact O-N 2.97Å; V158-L162 VanDerWaalsContact O-N 3.08Å
159F89.7Confident87.7Confident172 Ų17281 Ų8175%0.75442%0.417SS*.Hα-helixtrans-70.1-38178.6-64.7-66000112.7E157 Q163E157-F159 PolarHBondContact O-N 3.37Å; E157-F159 VanDerWaalsContact O-N 3.12Å; F159-Q163 WeakPolarHBondContact O-CB 3.32Å; F159-Q163 PolarHBondContact O-N 3.23Å
160D89.1Confident86Confident73 Ų7386.3 Ų86.339%0.3945%0.451SS..Hα-helixtrans-71.2-43179.7-65.7-12.1000110.5E157 Q163 V164E157-D160 HydrophobicContact CB-CB 3.94Å; E157-D160 PolarHBondContact O-N 3.09Å; D160-Q163 WeakPolarHBondContact O-CB 3.47Å; D160-Q163 PolarHBondContact O-N 3.32Å; D160-V164 WeakPolarHBondContact O-CG2 3.12Å; D160-V164 PolarHBondContact O-N 2.96Å
161A90.2Very high84.2Confident22 Ų2286.1 Ų86.118%0.18245%0.453CS..Hα-helixtrans-57.8-50174.100000111.2S154 E157 Q163 V164 D165S154-A161 PolarHBondContact O-N 2.82Å; E157-A161 PolarHBondContact O-N 3.3Å; A161-Q163 VanDerWaalsContact C-N 3.27Å; A161-Q163 PolarHBondContact O-N 2.97Å; A161-V164 PolarHBondContact O-N 3.32Å; A161-D165 PolarHBondContact O-N 3.42Å
162L89.4Confident82.4Confident104 Ų10489.4 Ų89.455%0.54547%0.474SS..Hα-helixtrans-62.3-34.4177.4-72.7173000112.5V158 S166V158-L162 HydrophobicContact CG1-CD1 3.98Å; V158-L162 HydrophobicContact CG1-CG 4.49Å; V158-L162 WeakPolarHBondContact O-CB 3.38Å; V158-L162 WeakPolarHBondContact O-CG 3.37Å; V158-L162 PolarHBondContact O-N 2.97Å; V158-L162 VanDerWaalsContact O-N 3.08Å; L162-S166 VanDerWaalsContact O-CB 3.31Å; L162-S166 WeakPolarHBondContact O-CB 3.5Å; L162-S166 PolarHBondContact O-N 2.84Å; L162-S166 PolarHBondContact O-OG 3.49Å
163Q87.1Confident80.7Confident120 Ų12088.1 Ų88.156%0.56147%0.474SS*.Hα-helixtrans-67.2-45.3176.5-177.5173.7-100111.4F159 D160 A161 S166 L167F159-Q163 WeakPolarHBondContact O-CB 3.32Å; F159-Q163 PolarHBondContact O-N 3.23Å; D160-Q163 WeakPolarHBondContact O-CB 3.47Å; D160-Q163 PolarHBondContact O-N 3.32Å; A161-Q163 VanDerWaalsContact C-N 3.27Å; A161-Q163 PolarHBondContact O-N 2.97Å; Q163-S166 PolarHBondContact O-N 3.39Å; Q163-S166 PolarHBondContact O-OG 3.34Å; Q163-L167 WeakPolarHBondContact O-CG 3.41Å; Q163-L167 PolarHBondContact O-N 3.14Å
164V86.1Confident79Confident52 Ų5290.1 Ų90.132%0.31549%0.487SS..Hα-helixtrans-60.2-48.9176.3173.20000110.3D160 A161 S166 L167 E168D160-V164 WeakPolarHBondContact O-CG2 3.12Å; D160-V164 PolarHBondContact O-N 2.96Å; A161-V164 PolarHBondContact O-N 3.32Å; V164-S166 VanDerWaalsContact C-N 3.28Å; V164-S166 PolarHBondContact O-N 3.08Å; V164-L167 PolarHBondContact O-N 3.19Å; V164-L167 VanDerWaalsContact O-N 3.09Å; V164-E168 PolarHBondContact O-N 3.35Å
165D86.3Confident77.6Confident96 Ų9696.2 Ų96.251%0.51352%0.517SS..Hα-helixtrans-59.8-38.7178.6-71.1-10000112.2A161 L167 E168 S169A161-D165 PolarHBondContact O-N 3.42Å; D165-L167 VanDerWaalsContact C-N 3.28Å; D165-L167 PolarHBondContact O-N 3.04Å; D165-E168 PolarHBondContact O-N 2.88Å; D165-S169 PolarHBondContact O-N 2.86Å; D165-S169 VanDerWaalsContact O-N 3.08Å
166S85.6Confident76.4Confident42 Ų4295.8 Ų95.829%0.29452%0.52SS..Hα-helixtrans-64.6-32.4178.576.40000112.8L162 Q163 V164 S169 T172L162-S166 VanDerWaalsContact O-CB 3.31Å; L162-S166 WeakPolarHBondContact O-CB 3.5Å; L162-S166 PolarHBondContact O-N 2.84Å; L162-S166 PolarHBondContact O-OG 3.49Å; Q163-S166 PolarHBondContact O-N 3.39Å; Q163-S166 PolarHBondContact O-OG 3.34Å; V164-S166 VanDerWaalsContact C-N 3.28Å; V164-S166 PolarHBondContact O-N 3.08Å; S166-S169 PolarHBondContact O-OG 3.07Å; S166-T172 WeakPolarHBondContact O-CG2 3.4Å
167L80.9Confident75.5Confident136 Ų13698.8 Ų98.871%0.71255%0.549SS*.Hα-helixtrans-77.2-30.3178.8-67.9171.5000112.2Q163 V164 D165Q163-L167 WeakPolarHBondContact O-CG 3.41Å; Q163-L167 PolarHBondContact O-N 3.14Å; V164-L167 PolarHBondContact O-N 3.19Å; V164-L167 VanDerWaalsContact O-N 3.09Å; D165-L167 VanDerWaalsContact C-N 3.28Å; D165-L167 PolarHBondContact O-N 3.04Å
168E80.3Confident74.5Confident151 Ų15195.7 Ų95.771%0.70654%0.539SS*.Hα-helixtrans-74.3-29.7174-66.6-165.7166.700112V164 D165 T170V164-E168 PolarHBondContact O-N 3.35Å; D165-E168 PolarHBondContact O-N 2.88Å; E168-T170 PolarHBondContact O-N 2.83Å
169S74.6Confident73.7Confident56 Ų5695.7 Ų95.739%0.39254%0.542SS..  trans-70.8114.7171.5770000110.7D165 S166 D171D165-S169 PolarHBondContact O-N 2.86Å; D165-S169 VanDerWaalsContact O-N 3.08Å; S166-S169 PolarHBondContact O-OG 3.07Å; S169-D171 PolarHBondContact O-N 3.28Å
170T60.8Low73Confident148 Ų14892.2 Ų92.291%0.90854%0.536SS*.SBendtrans-69.10.7177.9-39.70000112.9E168E168-T170 PolarHBondContact O-N 2.83Å
171D58.2Low72.5Confident99 Ų9991.6 Ų91.653%0.52955%0.547SS..  trans-119.847.4-170.1-153.24.7000113.1S169 S173S169-D171 PolarHBondContact O-N 3.28Å; D171-S173 PolarHBondContact O-N 3.08Å; D171-S173 PolarHBondContact OD1-OG 3.29Å
172T56.2Low72.3Confident73 Ų7396.6 Ų96.645%0.44858%0.578SS.*G310 helixtrans-76.6-0.5168.953.70000112.6S166 D174 L175S166-T172 WeakPolarHBondContact O-CG2 3.4Å; T172-D174 PolarHBondContact O-N 3.36Å; T172-L175 PolarHBondContact O-N 3.28Å
173S55Low72.2Confident44 Ų44101 Ų10131%0.30859%0.588SS.*G310 helixtrans-64.7-25.9-177.876.10000113.3D171D171-S173 PolarHBondContact O-N 3.08Å; D171-S173 PolarHBondContact OD1-OG 3.29Å
174D53.6Low72.1Confident130 Ų13098.4 Ų98.470%0.69559%0.594SS**G310 helixtrans-79.8-14.4-179.6-77.1-14.6000114.5T172T172-D174 PolarHBondContact O-N 3.36Å
175L57Low72.3Confident152 Ų152105.7 Ų105.780%0.79663%0.625SS**G310 helixtrans-90.1-16.9178.9-61.7-179.7000112.7T172T172-L175 PolarHBondContact O-N 3.28Å
176S61.2Low72.4Confident66 Ų66109.9 Ų109.946%0.46264%0.641SS.*  trans-79.9122.8175.3176.80000109.8S178S176-S178 VanDerWaalsContact CB-O 3.28Å; S176-S178 WeakPolarHBondContact CB-O 3.4Å; S176-S178 PolarHBondContact O-N 3.23Å; S176-S178 VanDerWaalsContact O-N 3.08Å; S176-S178 PolarHBondContact OG-N 3.21Å; S176-S178 PolarHBondContact OG-O 3.21Å
177S65.4Low72.4Confident131 Ų131116.4 Ų116.492%0.91667%0.667SS**SBendtrans-61.9-11.8169.359.60000113.7
178S69.2Low72.5Confident41 Ų41117 Ų11729%0.28766%0.661SS.*SBendtrans-108.7140.7173.2-61.60000110.1S176 Y183S176-S178 VanDerWaalsContact CB-O 3.28Å; S176-S178 WeakPolarHBondContact CB-O 3.4Å; S176-S178 PolarHBondContact O-N 3.23Å; S176-S178 VanDerWaalsContact O-N 3.08Å; S176-S178 PolarHBondContact OG-N 3.21Å; S176-S178 PolarHBondContact OG-O 3.21Å; S178-Y183 PolarHBondContact OG-OH 3.11Å; S178-Y183 VanDerWaalsContact OG-OH 3.12Å
179P72.6Confident72.6Confident102 Ų102117.9 Ų117.966%0.66267%0.667SS**  trans-49.9145.9172.7-25.333.5000111.7
180P74.1Confident72.7Confident99 Ų99121.1 Ų121.164%0.64367%0.674SS**SBendtrans-62.4139.5177.926.1-34.6000111.1
181G79.7Confident73.5Confident59 Ų59121.7 Ų121.761%0.60866%0.66SS**SBendtrans103.6170176.700000114.7
182P85.3Confident74.3Confident128 Ų128120.8 Ų120.883%0.83166%0.659SS**  trans-69.3148.3177.229.6-34.2000111.2G184P182-G184 PolarHBondContact O-N 3.2Å
183Y86.3Confident75.2Confident195 Ų195124.3 Ų124.377%0.76567%0.671SS**  trans-64.1120.5168.9-71.2-85.7000109.8S178S178-Y183 PolarHBondContact OG-OH 3.11Å; S178-Y183 VanDerWaalsContact OG-OH 3.12Å
184G86.8Confident76Confident67 Ų67124.7 Ų124.769%0.69167%0.668SS**  trans-118.1161.117800000112.2P182P182-G184 PolarHBondContact O-N 3.2Å
185Q90.1Very high76.5Confident205 Ų205127.1 Ų127.196%0.95867%0.667SS**  trans-100.12.1170-64.2-178100112.1Q187Q185-Q187 PolarHBondContact O-N 2.7Å
186E88.2Confident76.8Confident183 Ų183128.9 Ų128.986%0.85567%0.669SS**SBendtrans-65133.4179.9-63.1-171.1174.400110Y188E186-Y188 PolarHBondContact O-N 2.96Å
187Q85.3Confident77.8Confident179 Ų179134.3 Ų134.384%0.83668%0.684SS**PPolyproline II helixtrans-64.2127.2177.7-176.5178.2-19.500109.3Q185 M189Q185-Q187 PolarHBondContact O-N 2.7Å; Q187-M189 PolarHBondContact O-N 2.96Å; Q187-M189 VanDerWaalsContact O-N 3.15Å
188Y83.3Confident78.8Confident150 Ų150132.3 Ų132.359%0.58868%0.675SS**PPolyproline II helixtrans-58119.3175.4-173.1-102.1000110.9E186 E194E186-Y188 PolarHBondContact O-N 2.96Å; Y188-E194 WeakPolarHBondContact CE1-OE2 2.94Å; Y188-E194 PolarHBondContact OH-OE1 3.48Å; Y188-E194 PolarHBondContact OH-OE2 2.88Å
189M81.2Confident79.8Confident169 Ų169135.7 Ų135.783%0.83370%0.696SS**  trans-89.4113.4174-66-153.8-173.600109.8Q187 R191Q187-M189 PolarHBondContact O-N 2.96Å; Q187-M189 VanDerWaalsContact O-N 3.15Å; M189-R191 PolarHBondContact O-N 3.2Å
190F77.4Confident80.7Confident123 Ų123136.8 Ų136.854%0.53970%0.703SS.*  trans-62.8122-177.7-161.5-75.9000111.5E194 R195F190-E194 HydrophobicContact CE1-CB 3.87Å; F190-E194 VanDerWaalsContact CZ-C 3.48Å; F190-E194 HydrophobicContact CZ-CB 3.9Å; F190-E194 WeakPolarHBondContact CZ-O 3.42Å; F190-R195 HydrophobicContact CD1-CG 3.81Å; F190-R195 HydrophobicContact CE1-CB 3.87Å; F190-R195 HydrophobicContact CE1-CG 3.25Å; F190-R195 VanDerWaalsContact CE1-N 3.29Å; F190-R195 HydrophobicContact CZ-CB 4.48Å; F190-R195 HydrophobicContact CZ-CG 4.18Å
191R78Confident81.8Confident160 Ų160139.8 Ų139.860%0.60471%0.712SS**  trans-82.5138.4177.6-67-175.5163.5149.5-4111.3M189 E193 E194M189-R191 PolarHBondContact O-N 3.2Å; R191-E193 PolarHBondContact O-N 2.97Å; R191-E193 VanDerWaalsContact O-N 3.1Å; R191-E194 HydrophobicContact CB-CG 4.21Å; R191-E194 WeakPolarHBondContact O-CB 3.17Å; R191-E194 PolarHBondContact O-N 2.91Å
192P74.6Confident82.6Confident80 Ų80141.8 Ų141.852%0.51971%0.709SS.*G310 helixtrans-53.2-31.5178.8-27.135.4000114.4E194 R195P192-E194 PolarHBondContact O-N 3.12Å; P192-R195 WeakPolarHBondContact O-CB 3.36Å; P192-R195 PolarHBondContact O-N 3.27Å
193E75.2Confident83.1Confident147 Ų147138.6 Ų138.669%0.68769%0.688SS**G310 helixtrans-70-20.7180-6169.5-146.900112.8R191R191-E193 PolarHBondContact O-N 2.97Å; R191-E193 VanDerWaalsContact O-N 3.1Å
194E71.9Confident83.7Confident53 Ų53133.3 Ų133.325%0.24868%0.677CS.*G310 helixtrans-91.2-7.4-179.4-67.1165.8-164.300112.4Y188 F190 R191 P192 F196 K197Y188-E194 WeakPolarHBondContact CE1-OE2 2.94Å; Y188-E194 PolarHBondContact OH-OE1 3.48Å; Y188-E194 PolarHBondContact OH-OE2 2.88Å; F190-E194 HydrophobicContact CE1-CB 3.87Å; F190-E194 VanDerWaalsContact CZ-C 3.48Å; F190-E194 HydrophobicContact CZ-CB 3.9Å; F190-E194 WeakPolarHBondContact CZ-O 3.42Å; R191-E194 HydrophobicContact CB-CG 4.21Å; R191-E194 WeakPolarHBondContact O-CB 3.17Å; R191-E194 PolarHBondContact O-N 2.91Å; P192-E194 PolarHBondContact O-N 3.12Å; E194-F196 PolarHBondContact O-N 3.15Å; E194-K197 PolarHBondContact O-N 3.12Å
195R63.2Low84.2Confident181 Ų181134.1 Ų134.168%0.68366%0.663SS**THydrogen-bonded Turntrans-61.4-12.4-169.6-87.2-162.9178.5162.52114.8F190 P192F190-R195 HydrophobicContact CD1-CG 3.81Å; F190-R195 HydrophobicContact CE1-CB 3.87Å; F190-R195 HydrophobicContact CE1-CG 3.25Å; F190-R195 VanDerWaalsContact CE1-N 3.29Å; F190-R195 HydrophobicContact CZ-CB 4.48Å; F190-R195 HydrophobicContact CZ-CG 4.18Å; P192-R195 WeakPolarHBondContact O-CB 3.36Å; P192-R195 PolarHBondContact O-N 3.27Å
196F65.1Low84.5Confident189 Ų189125.8 Ų125.883%0.82963%0.625SS**THydrogen-bonded Turntrans-116.45-170.5-56.1-73.5000113.9E194 A198E194-F196 PolarHBondContact O-N 3.15Å; F196-A198 PolarHBondContact O-N 2.67Å
197K80.6Confident84.9Confident180 Ų180122.7 Ų122.778%0.78361%0.614SS**  trans-90104.8174.2-64-170.2-179.1-176.10109.6E194E194-K197 PolarHBondContact O-N 3.12Å
198A86.3Confident85.3Confident88 Ų88118.9 Ų118.973%0.72760%0.596SS**PPolyproline II helixtrans-61.3147.5168.700000110F196F196-A198 PolarHBondContact O-N 2.67Å
199P90Very high85.8Confident112 Ų112113.3 Ų113.373%0.72758%0.577SS**PPolyproline II helixtrans-60.3151.3173.827.1-34.5000110.4
200P92.8Very high86.5Confident126 Ų126105.6 Ų105.682%0.81854%0.539SS*.PPolyproline II helixtrans-61.1145.9178.626.5-34.3000110.9
201I96.5Very high87.4Confident161 Ų161102.8 Ų102.883%0.82653%0.529SS*.PPolyproline II helixtrans-66.2136.8176.2-59.3170.4000108.9P203I201-P203 VanDerWaalsContact O-CD 3.31Å; I201-P203 WeakPolarHBondContact O-CD 3.5Å
202L96.3Very high88.2Confident102 Ų102100.9 Ų100.953%0.53453%0.531SS..PPolyproline II helixtrans-57.3121.5176.817966.7000110.7L206 L207L202-L206 HydrophobicContact CD1-CB 4.35Å; L202-L206 HydrophobicContact CD1-CD1 3.94Å; L202-L207 HydrophobicContact CD2-CD2 3.73Å; L202-L207 HydrophobicContact CD2-CG 4.29Å
203P97.1Very high89.1Confident61 Ų61101.8 Ų101.840%0.39653%0.527SS..PPolyproline II helixtrans-61.7127.8175.5-24.435000110.9I201 H205 L206I201-P203 VanDerWaalsContact O-CD 3.31Å; I201-P203 WeakPolarHBondContact O-CD 3.5Å; P203-H205 PolarHBondContact O-N 3.31Å; P203-L206 PolarHBondContact O-N 3.08Å; P203-L206 VanDerWaalsContact O-N 3.08Å
204P97.3Very high89.9Confident83 Ų83102.7 Ų102.754%0.53954%0.537SS..G310 helixtrans-64.4-19.4-174.124.7-34.9000113.5L206 L207P204-L206 PolarHBondContact O-N 3.17Å; P204-L207 WeakPolarHBondContact O-CB 3.4Å; P204-L207 PolarHBondContact O-N 3.2Å; P204-L207 VanDerWaalsContact O-N 3.08Å
205H97.1Very high90.8Very high84 Ų84102.9 Ų102.939%0.38954%0.542SS..G310 helixtrans-58.9-32.9174.5-61.695.2000112.9P203 L207 Q208P203-H205 PolarHBondContact O-N 3.31Å; H205-L207 PolarHBondContact O-N 3.29Å; H205-Q208 PolarHBondContact O-N 3.17Å
206L97.1Very high92.1Very high30 Ų3099.7 Ų99.716%0.15754%0.538CS..G310 helixtrans-73.1-11.3178.7-60.1-176.3000112.9L202 P203 P204 Q208 M231 H234 Y236L202-L206 HydrophobicContact CD1-CB 4.35Å; L202-L206 HydrophobicContact CD1-CD1 3.94Å; P203-L206 PolarHBondContact O-N 3.08Å; P203-L206 VanDerWaalsContact O-N 3.08Å; P204-L206 PolarHBondContact O-N 3.17Å; L206-Q208 VanDerWaalsContact C-N 3.33Å; L206-M231 HydrophobicContact CD2-CB 4.41Å; L206-H234 HydrophobicContact CD2-CB 4.43Å; L206-Y236 WeakPolarHBondContact O-CE1 3.28Å; L206-Y236 PolarHBondContact O-OH 3.14Å
207L96.5Very high93.4Very high119 Ų11998.9 Ų98.962%0.62354%0.541SS*.G310 helixtrans-83.4-12.3174.4-58.1175.1000112.3L202 P204 H205 V209L202-L207 HydrophobicContact CD2-CD2 3.73Å; L202-L207 HydrophobicContact CD2-CG 4.29Å; P204-L207 WeakPolarHBondContact O-CB 3.4Å; P204-L207 PolarHBondContact O-N 3.2Å; P204-L207 VanDerWaalsContact O-N 3.08Å; H205-L207 PolarHBondContact O-N 3.29Å; L207-V209 VanDerWaalsContact C-N 3.33Å; L207-V209 PolarHBondContact O-N 3.39Å; L207-V209 VanDerWaalsContact O-N 3.08Å
208Q93.9Very high94Very high99 Ų9995.1 Ų95.146%0.46354%0.537SS..  trans-86.764.6-177-61.1-175.15.500112.3H205 L206 I210 M231H205-Q208 PolarHBondContact O-N 3.17Å; L206-Q208 VanDerWaalsContact C-N 3.33Å; Q208-I210 PolarHBondContact O-N 3.37Å; Q208-M231 WeakPolarHBondContact O-CE 2.98Å
209V94.9Very high94.3Very high33 Ų3393.4 Ų93.420%0.252%0.519CS..  trans-58119.4-176.4-171.50000111.7L207 L211 N212 Y236L207-V209 VanDerWaalsContact C-N 3.33Å; L207-V209 PolarHBondContact O-N 3.39Å; L207-V209 VanDerWaalsContact O-N 3.08Å; V209-L211 VanDerWaalsContact C-N 3.32Å; V209-L211 HydrophobicContact CG1-CB 4.39Å; V209-L211 PolarHBondContact O-N 3.4Å; V209-N212 HydrophobicContact CB-CB 4.13Å; V209-N212 HydrophobicContact CG1-CB 4.44Å; V209-N212 PolarHBondContact O-N 3.44Å; V209-Y236 HydrophobicContact CB-CD1 4.42Å; V209-Y236 HydrophobicContact CB-CE1 4.42Å; V209-Y236 HydrophobicContact CG1-CD1 4.05Å; V209-Y236 HydrophobicContact CG1-CE1 4.44Å; V209-Y236 HydrophobicContact CG1-CG 4.43Å; V209-Y236 HydrophobicContact CG2-CD1 3.79Å; V209-Y236 HydrophobicContact CG2-CE1 3.76Å
210I95.6Very high94.6Very high6 Ų692.6 Ų92.63%0.03151%0.508CS..G310 helixtrans-64.5-34.4-176.5-171.9166000113.1Q208 N212 K213 L224 P225 P227 M231Q208-I210 PolarHBondContact O-N 3.37Å; I210-N212 PolarHBondContact O-N 3.12Å; I210-K213 PolarHBondContact O-N 3.41Å; I210-L224 HydrophobicContact CD1-CB 4.05Å; I210-L224 HydrophobicContact CG1-CB 4.36Å; I210-P225 HydrophobicContact CD1-CG 4.29Å; I210-P225 VanDerWaalsContact CD1-O 3.23Å; I210-P225 WeakPolarHBondContact CD1-O 3.5Å; I210-P225 HydrophobicContact CG1-CG 4.04Å; I210-P227 HydrophobicContact CD1-CB 3.94Å; I210-M231 HydrophobicContact CB-CE 4.36Å; I210-M231 HydrophobicContact CB-SD 4.28Å; I210-M231 HydrophobicContact CG2-SD 4.44Å
211L95.9Very high94.6Very high64 Ų6492.4 Ų92.434%0.33551%0.507SS..G310 helixtrans-73.9-14179-65.1176.1000113.4V209 L224 T259 L261V209-L211 VanDerWaalsContact C-N 3.32Å; V209-L211 HydrophobicContact CG1-CB 4.39Å; V209-L211 PolarHBondContact O-N 3.4Å; L211-L224 HydrophobicContact CD2-CD1 3.92Å; L211-L224 HydrophobicContact CD2-CD2 4.22Å; L211-T259 HydrophobicContact CD1-CG2 3.99Å; L211-T259 HydrophobicContact CD2-CG2 3.91Å; L211-T259 HydrophobicContact CG-CG2 4.06Å; L211-L261 HydrophobicContact CD1-CD1 4.02Å; L211-L261 HydrophobicContact CD1-CD2 4.38Å; L211-L261 HydrophobicContact CD1-CG 4.27Å; L211-L261 HydrophobicContact CD2-CD1 4.39Å
212N95Very high94.6Very high121 Ų12188.6 Ų88.665%0.64750%0.5SS*.G310 helixtrans-931.5175.5-66-5.2000112.3V209 I210V209-N212 HydrophobicContact CB-CB 4.13Å; V209-N212 HydrophobicContact CG1-CB 4.44Å; V209-N212 PolarHBondContact O-N 3.44Å; I210-N212 PolarHBondContact O-N 3.12Å
213K92.7Very high94.5Very high99 Ų9988.5 Ų88.543%0.4350%0.499SS..SBendtrans-90.2130.8177.6-64.8-175.8178.8-1780109.5I210 P225I210-K213 PolarHBondContact O-N 3.41Å; K213-P225 HydrophobicContact CD-CG 4.29Å
214D91.9Very high94.5Very high165 Ų16589 Ų8988%0.88250%0.498SS*.PPolyproline II helixtrans-67.6135.5172.2-62.5-47.8000110.6
215T91.8Very high94.4Very high58 Ų5887.5 Ų87.536%0.35649%0.489SS..PPolyproline II helixtrans-99156.9170.555.50000110I217 L223T215-I217 PolarHBondContact O-N 3.1Å; T215-L223 WeakPolarHBondContact CG2-O 3.23Å
216N89.9Confident94.4Very high113 Ų11390.9 Ų90.960%0.60451%0.505SS*.PPolyproline II helixtrans-66.4132.4178.8-171.7-20.3000109.7S218 C219N216-S218 VanDerWaalsContact CG-OG 3.3Å; N216-S218 PolarHBondContact ND2-OG 3.13Å; N216-S218 PolarHBondContact O-N 3.16Å; N216-S218 PolarHBondContact OD1-N 3.41Å; N216-S218 VanDerWaalsContact OD1-N 3.13Å; N216-S218 PolarHBondContact OD1-OG 3.38Å; N216-C219 PolarHBondContact O-N 3.12Å; N216-C219 PolarHBondContact O-SG 3.25Å
217I91.3Very high94.4Very high173 Ų17390.1 Ų90.189%0.88750%0.502SS*.THydrogen-bonded Turntrans-57.2-21.8179.9-58.5155.2000112.1T215T215-I217 PolarHBondContact O-N 3.1Å
218S94.1Very high94.4Very high101 Ų10187.4 Ų87.471%0.70649%0.488SS*.THydrogen-bonded Turntrans-78-1317870.20000115.3N216N216-S218 VanDerWaalsContact CG-OG 3.3Å; N216-S218 PolarHBondContact ND2-OG 3.13Å; N216-S218 PolarHBondContact O-N 3.16Å; N216-S218 PolarHBondContact OD1-N 3.41Å; N216-S218 VanDerWaalsContact OD1-N 3.13Å; N216-S218 PolarHBondContact OD1-OG 3.38Å
219C92.7Very high94.6Very high51 Ų5188.7 Ų88.735%0.34549%0.494SS..SBendtrans-97.7164.8-178.768.20000112.7N216N216-C219 PolarHBondContact O-N 3.12Å; N216-C219 PolarHBondContact O-SG 3.25Å
220D95.4Very high94.7Very high95 Ų9589.8 Ų89.851%0.50850%0.5SS..  trans-58.5128.9174178.8-20.8000110.3A222 L223D220-A222 PolarHBondContact O-N 3.24Å; D220-A222 VanDerWaalsContact O-N 3.14Å; D220-A222 WeakPolarHBondContact OD1-CB 3.39Å; D220-A222 PolarHBondContact OD1-N 3.12Å; D220-L223 HydrophobicContact CB-CD1 3.83Å; D220-L223 HydrophobicContact CB-CG 3.91Å; D220-L223 WeakPolarHBondContact O-CB 3.43Å; D220-L223 PolarHBondContact O-N 3.45Å
221P94.4Very high94.8Very high122 Ų12289.8 Ų89.879%0.79250%0.5SS*.THydrogen-bonded Turntrans-58.3-22.1179.6-25.534.6000115.5L223P221-L223 VanDerWaalsContact C-N 3.29Å
222A95Very high94.8Very high82 Ų8287.3 Ų87.368%0.67849%0.487SS*.THydrogen-bonded Turntrans-80.3-10.3176.600000113.1D220D220-A222 PolarHBondContact O-N 3.24Å; D220-A222 VanDerWaalsContact O-N 3.14Å; D220-A222 WeakPolarHBondContact OD1-CB 3.39Å; D220-A222 PolarHBondContact OD1-N 3.12Å
223L95.8Very high94.9Very high99 Ų9987.3 Ų87.352%0.51849%0.487SS..  trans-84.7131.6178.9-64.6175.9000111.2T215 D220 P221T215-L223 WeakPolarHBondContact CG2-O 3.23Å; D220-L223 HydrophobicContact CB-CD1 3.83Å; D220-L223 HydrophobicContact CB-CG 3.91Å; D220-L223 WeakPolarHBondContact O-CB 3.43Å; D220-L223 PolarHBondContact O-N 3.45Å; P221-L223 VanDerWaalsContact C-N 3.29Å
224L96.3Very high95.2Very high71 Ų7186.3 Ų86.337%0.37248%0.484SS..  trans-112.9154.3173.9-65.4175.2000109.7I210 L211 T259I210-L224 HydrophobicContact CD1-CB 4.05Å; I210-L224 HydrophobicContact CG1-CB 4.36Å; L211-L224 HydrophobicContact CD2-CD1 3.92Å; L211-L224 HydrophobicContact CD2-CD2 4.22Å; L224-T259 HydrophobicContact CD1-CG2 4.33Å; L224-T259 WeakPolarHBondContact CD1-OG1 3.44Å
225P95.5Very high95.5Very high52 Ų5284.1 Ų84.134%0.33847%0.472SS..PPolyproline II helixtrans-62.7164.6172.228-35.3000111.4I210 K213 P227I210-P225 HydrophobicContact CD1-CG 4.29Å; I210-P225 VanDerWaalsContact CD1-O 3.23Å; I210-P225 WeakPolarHBondContact CD1-O 3.5Å; I210-P225 HydrophobicContact CG1-CG 4.04Å; K213-P225 HydrophobicContact CD-CG 4.29Å; P225-P227 WeakPolarHBondContact O-CD 3.45Å
226E96.4Very high95.8Very high156 Ų15683 Ų8373%0.72946%0.461SS*.PPolyproline II helixtrans-64.4124.8176.5-172.1172.5-175.400111Y257E226-Y257 HydrophobicContact CG-CE2 3.98Å
227P97.3Very high96.1Very high14 Ų1480.8 Ų80.89%0.09146%0.459CS..PPolyproline II helixtrans-75.7152.7177.931-35000111.6I210 P225 M231 L232 T250 Y257I210-P227 HydrophobicContact CD1-CB 3.94Å; P225-P227 WeakPolarHBondContact O-CD 3.45Å; P227-M231 HydrophobicContact CB-CG 4.25Å; P227-M231 HydrophobicContact CB-SD 3.76Å; P227-L232 HydrophobicContact CB-CD2 4.14Å; P227-L232 HydrophobicContact CG-CD2 3.93Å; P227-T250 HydrophobicContact CB-CG2 4.35Å; P227-T250 HydrophobicContact CG-CG2 4.1Å; P227-Y257 HydrophobicContact CG-CD1 3.73Å; P227-Y257 HydrophobicContact CG-CD2 3.95Å; P227-Y257 HydrophobicContact CG-CE1 4.23Å; P227-Y257 HydrophobicContact CG-CE2 4.42Å; P227-Y257 HydrophobicContact CG-CG 3.56Å
228N97Very high96.4Very high61 Ų6177.8 Ų77.833%0.32644%0.444SS..PPolyproline II helixtrans-70.5137.4166.9-170.8-33.5000109.6V230 M231N228-V230 PolarHBondContact O-N 3.12Å; N228-V230 VanDerWaalsContact O-N 3.11Å; N228-V230 PolarHBondContact OD1-N 3.18Å; N228-M231 HydrophobicContact CB-CG 4.44Å; N228-M231 WeakPolarHBondContact O-CG 3.39Å; N228-M231 PolarHBondContact O-N 2.76Å; N228-M231 VanDerWaalsContact O-N 3.12Å
229H97.3Very high96.5Very high127 Ų12778 Ų7859%0.58845%0.445SS*.G310 helixtrans-56.9-29.8-178.769.4-86.8000113.6M231 L232 R252H229-M231 VanDerWaalsContact C-N 3.32Å; H229-M231 PolarHBondContact O-N 2.83Å; H229-L232 WeakPolarHBondContact O-CB 3.45Å; H229-L232 WeakPolarHBondContact O-CG 3.46Å; H229-L232 PolarHBondContact O-N 3.11Å; H229-R252 VanDerWaalsContact CB-NH2 3.33Å
230V97.5Very high96.7Very high56 Ų5680 Ų8034%0.33945%0.452SS..G310 helixtrans-69.2-26.1-178.9-178.80000112.9N228 H234N228-V230 PolarHBondContact O-N 3.12Å; N228-V230 VanDerWaalsContact O-N 3.11Å; N228-V230 PolarHBondContact OD1-N 3.18Å; V230-H234 PolarHBondContact O-CD2 2.99Å; V230-H234 PolarHBondContact O-NE2 2.9Å
231M96.8Very high96.7Very high5 Ų582.8 Ų82.83%0.02546%0.459CS..G310 helixtrans-86.8-6.5-179.862.3144.642.200114.1L206 Q208 I210 P227 N228 H229 H234L206-M231 HydrophobicContact CD2-CB 4.41Å; Q208-M231 WeakPolarHBondContact O-CE 2.98Å; I210-M231 HydrophobicContact CB-CE 4.36Å; I210-M231 HydrophobicContact CB-SD 4.28Å; I210-M231 HydrophobicContact CG2-SD 4.44Å; P227-M231 HydrophobicContact CB-CG 4.25Å; P227-M231 HydrophobicContact CB-SD 3.76Å; N228-M231 HydrophobicContact CB-CG 4.44Å; N228-M231 WeakPolarHBondContact O-CG 3.39Å; N228-M231 PolarHBondContact O-N 2.76Å; N228-M231 VanDerWaalsContact O-N 3.12Å; H229-M231 VanDerWaalsContact C-N 3.32Å; H229-M231 PolarHBondContact O-N 2.83Å; M231-H234 PolarHBondContact O-N 2.83Å
232L97.3Very high96.7Very high13 Ų1384.8 Ų84.87%0.06846%0.463CS..THydrogen-bonded Turntrans-67.8149.1179.5-57.4177.5000110.1P227 H229 H234 T250 R252 Y257P227-L232 HydrophobicContact CB-CD2 4.14Å; P227-L232 HydrophobicContact CG-CD2 3.93Å; H229-L232 WeakPolarHBondContact O-CB 3.45Å; H229-L232 WeakPolarHBondContact O-CG 3.46Å; H229-L232 PolarHBondContact O-N 3.11Å; L232-H234 PolarHBondContact O-CD2 3.34Å; L232-H234 VanDerWaalsContact O-CD2 3.31Å; L232-H234 PolarHBondContact O-N 2.87Å; L232-H234 VanDerWaalsContact O-N 3.11Å; L232-T250 WeakPolarHBondContact CA-O 3.47Å; L232-T250 HydrophobicContact CD2-CG2 3.51Å; L232-R252 HydrophobicContact CD1-CB 4.18Å; L232-Y257 HydrophobicContact CD1-CD1 4.07Å; L232-Y257 HydrophobicContact CD1-CE1 3.81Å; L232-Y257 HydrophobicContact CD2-CD1 4.02Å; L232-Y257 HydrophobicContact CD2-CE1 4.48Å
233N97.4Very high96.7Very high121 Ų12183 Ų8365%0.64745%0.452SS*.THydrogen-bonded Turntrans644.8-177.1-45.7-34.8000115T250 H251N233-T250 PolarHBondContact N-O 3.14Å; N233-H251 PolarHBondContact OD1-CD2 3.45Å
234H98.1Very high96.8Very high77 Ų7780.5 Ų80.536%0.35644%0.441SS..  trans-86.8137.8170-70.4-89.1000111.1L206 V230 M231 L232 Y236L206-H234 HydrophobicContact CD2-CB 4.43Å; V230-H234 PolarHBondContact O-CD2 2.99Å; V230-H234 PolarHBondContact O-NE2 2.9Å; M231-H234 PolarHBondContact O-N 2.83Å; L232-H234 PolarHBondContact O-CD2 3.34Å; L232-H234 VanDerWaalsContact O-CD2 3.31Å; L232-H234 PolarHBondContact O-N 2.87Å; L232-H234 VanDerWaalsContact O-N 3.11Å; H234-Y236 HydrophobicContact CB-CE2 4.21Å
235L98.1Very high96.8Very high120 Ų12080.2 Ų80.263%0.62844%0.439SS*.EExtended strand (participates in β ladder)trans-83.4126.4177.8-172.271.8000110.4L247L235-L247 HydrophobicContact CD1-CB 4.15Å; L235-L247 HydrophobicContact CD1-CD2 4.41Å; L235-L247 HydrophobicContact CD2-CD2 4.29Å
236Y97.9Very high97Very high33 Ų3378.6 Ų78.613%0.12943%0.428CS..EExtended strand (participates in β ladder)trans-112.2135.6168.4-63.4-88.4000109.1L206 V209 H234 S248L206-Y236 WeakPolarHBondContact O-CE1 3.28Å; L206-Y236 PolarHBondContact O-OH 3.14Å; V209-Y236 HydrophobicContact CB-CD1 4.42Å; V209-Y236 HydrophobicContact CB-CE1 4.42Å; V209-Y236 HydrophobicContact CG1-CD1 4.05Å; V209-Y236 HydrophobicContact CG1-CE1 4.44Å; V209-Y236 HydrophobicContact CG1-CG 4.43Å; V209-Y236 HydrophobicContact CG2-CD1 3.79Å; V209-Y236 HydrophobicContact CG2-CE1 3.76Å; H234-Y236 HydrophobicContact CB-CE2 4.21Å; Y236-S248 WeakPolarHBondContact CB-OG 3.5Å; Y236-S248 PolarHBondContact N-O 3.06Å; Y236-S248 PolarHBondContact O-N 2.92Å; Y236-S248 PolarHBondContact O-OG 2.84Å
237A97.5Very high97Very high68 Ų6873.1 Ų73.156%0.56240%0.403SS*.EExtended strand (participates in β ladder)trans-129.2143.4-179.200000110.4V246 L247A237-V246 WeakPolarHBondContact CA-O 3.42Å; A237-L247 HydrophobicContact CB-CD2 3.66Å
238L96.5Very high97.1Very high109 Ų10973.1 Ų73.157%0.57140%0.404SS*.PPolyproline II helixtrans-85.3154.7164.4-67.4175.5000109.8I240 V246L238-I240 PolarHBondContact O-N 3Å; L238-V246 HydrophobicContact CB-CB 4.28Å; L238-V246 HydrophobicContact CD1-CB 4.31Å; L238-V246 HydrophobicContact CD1-CG1 4.28Å; L238-V246 PolarHBondContact N-O 3.1Å; L238-V246 VanDerWaalsContact N-O 3.12Å
239S96.8Very high97.1Very high105 Ų10570.9 Ų70.973%0.73439%0.394SS*.PPolyproline II helixtrans-57.8130.9168-540000109.7K241S239-K241 PolarHBondContact O-N 2.97Å
240I96.3Very high97.2Very high94 Ų9464.9 Ų64.948%0.48237%0.366SS..PPolyproline II helixtrans-57.5131.5178.8-64.3159.2000109.4L238 M245 I266L238-I240 PolarHBondContact O-N 3Å; I240-M245 HydrophobicContact CD1-CE 4.28Å; I240-M245 HydrophobicContact CG1-CB 4.39Å; I240-M245 HydrophobicContact CG1-CG 4.43Å; I240-I266 HydrophobicContact CB-CD1 4.25Å; I240-I266 HydrophobicContact CD1-CD1 3.49Å; I240-I266 VanDerWaalsContact CD1-CD1 3.49Å; I240-I266 HydrophobicContact CG1-CD1 3.79Å; I240-I266 HydrophobicContact CG2-CD1 3.44Å; I240-I266 VanDerWaalsContact CG2-CD1 3.44Å
241K95Very high97.2Very high154 Ų15466.4 Ų66.467%0.6737%0.369SS*.BIsolated β-bridgetrans-139.1144175.6-69.8-177.2-179.4-179.80109.1S239 G243 V244S239-K241 PolarHBondContact O-N 2.97Å; K241-G243 PolarHBondContact O-N 3.25Å; K241-G243 VanDerWaalsContact O-N 3.14Å; K241-V244 PolarHBondContact N-O 3Å; K241-V244 PolarHBondContact O-N 3.42Å
242D95.1Very high97.3Very high164 Ų16471.9 Ų71.988%0.87739%0.39SS*.THydrogen-bonded Turntrans53.135.9175.9-52.5-41.9000114.5V244D242-V244 PolarHBondContact O-N 3.4Å
243G95.3Very high97.3Very high43 Ų4378.6 Ų78.644%0.44342%0.415SS..THydrogen-bonded Turntrans7211.2-179.900000114.7K241 P265 I266K241-G243 PolarHBondContact O-N 3.25Å; K241-G243 VanDerWaalsContact O-N 3.14Å; G243-P265 WeakPolarHBondContact O-CA 3.42Å; G243-I266 PolarHBondContact O-N 3.33Å
244V97.3Very high97.3Very high47 Ų4780.9 Ų80.929%0.28542%0.419SS..EExtended strand (participates in β ladder)trans-114.5128.8-179.7-1770000110.8K241 D242 V246 Y263K241-V244 PolarHBondContact N-O 3Å; K241-V244 PolarHBondContact O-N 3.42Å; D242-V244 PolarHBondContact O-N 3.4Å; V244-V246 HydrophobicContact CG1-CG2 4.4Å; V244-Y263 HydrophobicContact CG1-CD1 4.08Å
245M97.3Very high97.3Very high65 Ų6586.6 Ų86.632%0.3244%0.443SS..EExtended strand (participates in β ladder)trans-89.9134.2168.1-173.5-176-6700109.8I240 L247 Y263 K264 I266I240-M245 HydrophobicContact CD1-CE 4.28Å; I240-M245 HydrophobicContact CG1-CB 4.39Å; I240-M245 HydrophobicContact CG1-CG 4.43Å; M245-L247 HydrophobicContact CG-CD2 4.06Å; M245-L247 HydrophobicContact CG-CG 4.03Å; M245-L247 HydrophobicContact SD-CD1 3.89Å; M245-L247 HydrophobicContact SD-CD2 3.97Å; M245-L247 HydrophobicContact SD-CG 3.93Å; M245-Y263 WeakPolarHBondContact O-CA 3.4Å; M245-K264 PolarHBondContact N-O 2.95Å; M245-K264 PolarHBondContact O-N 3.47Å; M245-I266 HydrophobicContact CB-CD1 4.05Å; M245-I266 HydrophobicContact CB-CG1 4.04Å; M245-I266 HydrophobicContact CE-CD1 4.18Å; M245-I266 HydrophobicContact CE-CG1 4.49Å
246V98Very high97.3Very high18 Ų1888.6 Ų88.611%0.10945%0.447CS..EExtended strand (participates in β ladder)trans-119.7116.3175.1-169.60000109.3A237 L238 V244 L262 Y263A237-V246 WeakPolarHBondContact CA-O 3.42Å; L238-V246 HydrophobicContact CB-CB 4.28Å; L238-V246 HydrophobicContact CD1-CB 4.31Å; L238-V246 HydrophobicContact CD1-CG1 4.28Å; L238-V246 PolarHBondContact N-O 3.1Å; L238-V246 VanDerWaalsContact N-O 3.12Å; V244-V246 HydrophobicContact CG1-CG2 4.4Å; V246-L262 WeakPolarHBondContact CA-O 3.47Å; V246-Y263 HydrophobicContact CB-CD1 4.41Å; V246-Y263 HydrophobicContact CB-CE1 4.25Å; V246-Y263 HydrophobicContact CG1-CD1 4.2Å; V246-Y263 HydrophobicContact CG1-CD2 4.38Å; V246-Y263 HydrophobicContact CG1-CE1 3.8Å; V246-Y263 HydrophobicContact CG1-CE2 4Å; V246-Y263 HydrophobicContact CG1-CG 4.46Å; V246-Y263 HydrophobicContact CG2-CD1 3.48Å; V246-Y263 VanDerWaalsContact CG2-CD1 3.48Å; V246-Y263 HydrophobicContact CG2-CE1 3.39Å; V246-Y263 HydrophobicContact CG2-CG 4.32Å
247L98Very high97.3Very high42 Ų4290.3 Ų90.322%0.2245%0.453CS..EExtended strand (participates in β ladder)trans-115.2148.3178.9-61.7-179.1000110L235 A237 M245 L261 L262L235-L247 HydrophobicContact CD1-CB 4.15Å; L235-L247 HydrophobicContact CD1-CD2 4.41Å; L235-L247 HydrophobicContact CD2-CD2 4.29Å; A237-L247 HydrophobicContact CB-CD2 3.66Å; M245-L247 HydrophobicContact CG-CD2 4.06Å; M245-L247 HydrophobicContact CG-CG 4.03Å; M245-L247 HydrophobicContact SD-CD1 3.89Å; M245-L247 HydrophobicContact SD-CD2 3.97Å; M245-L247 HydrophobicContact SD-CG 3.93Å; L247-L261 CarbonylContact O-C 3.56Å; L247-L261 WeakPolarHBondContact O-CA 3.39Å; L247-L262 PolarHBondContact N-O 2.81Å; L247-L262 PolarHBondContact O-N 3.23Å
248S98.1Very high97.3Very high14 Ų1490.7 Ų90.710%0.09845%0.449CS..EExtended strand (participates in β ladder)trans-146.1149.8174.966.40000111.9Y236 S260Y236-S248 WeakPolarHBondContact CB-OG 3.5Å; Y236-S248 PolarHBondContact N-O 3.06Å; Y236-S248 PolarHBondContact O-N 2.92Å; Y236-S248 PolarHBondContact O-OG 2.84Å; S248-S260 WeakPolarHBondContact CA-O 3.4Å; S248-S260 WeakPolarHBondContact CB-O 3.41Å
249A98.3Very high97.4Very high14 Ų1486.9 Ų86.912%0.11643%0.43CS..EExtended strand (participates in β ladder)trans-152.7145.3172.600000109.7S260A249-S260 PolarHBondContact N-O 2.87Å; A249-S260 PolarHBondContact O-N 2.91Å
250T98.5Very high97.5Very high1 Ų185 Ų851%0.00642%0.417CS..EExtended strand (participates in β ladder)trans-99.6122.8175.5-52.20000109.7P227 L232 N233 V258 T259P227-T250 HydrophobicContact CB-CG2 4.35Å; P227-T250 HydrophobicContact CG-CG2 4.1Å; L232-T250 WeakPolarHBondContact CA-O 3.47Å; L232-T250 HydrophobicContact CD2-CG2 3.51Å; N233-T250 PolarHBondContact N-O 3.14Å; T250-V258 WeakPolarHBondContact CA-O 3.37Å; T250-T259 WeakPolarHBondContact CG2-OG1 3.47Å; T250-T259 PolarHBondContact OG1-OG1 2.99Å
251H98.4Very high97.6Very high88 Ų8884.6 Ų84.641%0.40742%0.415SS..EExtended strand (participates in β ladder)trans-116.6149.9179.3-63.194.3000110.8N233 Y257 V258N233-H251 PolarHBondContact OD1-CD2 3.45Å; H251-Y257 WeakPolarHBondContact O-CA 3.49Å; H251-V258 PolarHBondContact N-O 3.23Å; H251-V258 PolarHBondContact O-N 3.3Å
252R98.3Very high97.7Very high120 Ų12082 Ų8245%0.45341%0.408SS..EExtended strand (participates in β ladder)trans-94.6128.3174.1-169-174.5-55.2-119.9-0.8109.7H229 L232 K254 K256 Y257H229-R252 VanDerWaalsContact CB-NH2 3.33Å; L232-R252 HydrophobicContact CD1-CB 4.18Å; R252-K254 WeakPolarHBondContact CG-O 3.45Å; R252-K256 CarbonylContact C-O 3.55Å; R252-K256 WeakPolarHBondContact CA-O 3.2Å; R252-Y257 HydrophobicContact CB-CD1 4.18Å; R252-Y257 HydrophobicContact CB-CE1 4.3Å; R252-Y257 HydrophobicContact CG-CD1 4.1Å; R252-Y257 HydrophobicContact CG-CE1 3.9Å; R252-Y257 PolarHBondContact NH1-OH 2.85Å; R252-Y257 VanDerWaalsContact NH1-OH 3.1Å
253Y97.9Very high97.9Very high153 Ų15381.2 Ų81.260%0.639%0.394SS*.EExtended strand (participates in β ladder)trans-118.7109.3167.7-179.5-99.1000109.1K255 K256Y253-K255 PolarHBondContact O-N 3.14Å; Y253-K255 VanDerWaalsContact O-N 3.1Å; Y253-K256 PolarHBondContact N-O 2.97Å; Y253-K256 PolarHBondContact O-N 2.97Å
254K96.9Very high98Very high169 Ų16985.3 Ų85.374%0.73540%0.4SS*.THydrogen-bonded Turntrans53.8-112.8-170.4-57.2179.7178.4-1800110.7R252R252-K254 WeakPolarHBondContact CG-O 3.45Å
255K97.8Very high97.9Very high198 Ų19887.9 Ų87.986%0.86142%0.417SS*.THydrogen-bonded Turntrans-103.310.9178.5-61.3-173177.9-177.20113.2Y253Y253-K255 PolarHBondContact O-N 3.14Å; Y253-K255 VanDerWaalsContact O-N 3.1Å
256K97.9Very high97.6Very high161 Ų16192.1 Ų92.170%0.744%0.439SS*.EExtended strand (participates in β ladder)trans-114.9158.8-180-60.8-168.8178.9-169.90110.8R252 Y253R252-K256 CarbonylContact C-O 3.55Å; R252-K256 WeakPolarHBondContact CA-O 3.2Å; Y253-K256 PolarHBondContact N-O 2.97Å; Y253-K256 PolarHBondContact O-N 2.97Å
257Y98.5Very high97.6Very high69 Ų6995.8 Ų95.827%0.27146%0.456SS..EExtended strand (participates in β ladder)trans-120.4139.1178.7-52.2-78.4000109.8E226 P227 L232 H251 R252E226-Y257 HydrophobicContact CG-CE2 3.98Å; P227-Y257 HydrophobicContact CG-CD1 3.73Å; P227-Y257 HydrophobicContact CG-CD2 3.95Å; P227-Y257 HydrophobicContact CG-CE1 4.23Å; P227-Y257 HydrophobicContact CG-CE2 4.42Å; P227-Y257 HydrophobicContact CG-CG 3.56Å; L232-Y257 HydrophobicContact CD1-CD1 4.07Å; L232-Y257 HydrophobicContact CD1-CE1 3.81Å; L232-Y257 HydrophobicContact CD2-CD1 4.02Å; L232-Y257 HydrophobicContact CD2-CE1 4.48Å; H251-Y257 WeakPolarHBondContact O-CA 3.49Å; R252-Y257 HydrophobicContact CB-CD1 4.18Å; R252-Y257 HydrophobicContact CB-CE1 4.3Å; R252-Y257 HydrophobicContact CG-CD1 4.1Å; R252-Y257 HydrophobicContact CG-CE1 3.9Å; R252-Y257 PolarHBondContact NH1-OH 2.85Å; R252-Y257 VanDerWaalsContact NH1-OH 3.1Å
258V98.3Very high97.5Very high77 Ų7798.6 Ų98.647%0.46747%0.468SS..EExtended strand (participates in β ladder)trans-131123.6178.2-177.50000108.4T250 H251T250-V258 WeakPolarHBondContact CA-O 3.37Å; H251-V258 PolarHBondContact N-O 3.23Å; H251-V258 PolarHBondContact O-N 3.3Å
259T98.4Very high97.5Very high28 Ų28103.3 Ų103.317%0.17249%0.489CS..EExtended strand (participates in β ladder)trans-98.8108.5171.2-56.90000108.4L211 L224 T250 L261L211-T259 HydrophobicContact CD1-CG2 3.99Å; L211-T259 HydrophobicContact CD2-CG2 3.91Å; L211-T259 HydrophobicContact CG-CG2 4.06Å; L224-T259 HydrophobicContact CD1-CG2 4.33Å; L224-T259 WeakPolarHBondContact CD1-OG1 3.44Å; T250-T259 WeakPolarHBondContact CG2-OG1 3.47Å; T250-T259 PolarHBondContact OG1-OG1 2.99Å; T259-L261 HydrophobicContact CG2-CD1 4.2Å
260S98Very high97.5Very high67 Ų67108.6 Ų108.647%0.46951%0.511SS..EExtended strand (participates in β ladder)trans-94.4137.4179.3-59.50000109.9S248 A249S248-S260 WeakPolarHBondContact CA-O 3.4Å; S248-S260 WeakPolarHBondContact CB-O 3.41Å; A249-S260 PolarHBondContact N-O 2.87Å; A249-S260 PolarHBondContact O-N 2.91Å
261L98.3Very high97.4Very high85 Ų85115.3 Ų115.345%0.44554%0.542SS..EExtended strand (participates in β ladder)trans-112.6132.6173-73.674000109L211 L247 T259 Y263L211-L261 HydrophobicContact CD1-CD1 4.02Å; L211-L261 HydrophobicContact CD1-CD2 4.38Å; L211-L261 HydrophobicContact CD1-CG 4.27Å; L211-L261 HydrophobicContact CD2-CD1 4.39Å; L247-L261 CarbonylContact O-C 3.56Å; L247-L261 WeakPolarHBondContact O-CA 3.39Å; T259-L261 HydrophobicContact CG2-CD1 4.2Å; L261-Y263 HydrophobicContact CB-CE2 4.16Å; L261-Y263 HydrophobicContact CD2-CE2 4.38Å
262L97.9Very high97.3Very high99 Ų99117.1 Ų117.152%0.51855%0.551SS.*EExtended strand (participates in β ladder)trans-116.8122.2175.6176.165.4000109.4V246 L247V246-L262 WeakPolarHBondContact CA-O 3.47Å; L247-L262 PolarHBondContact N-O 2.81Å; L247-L262 PolarHBondContact O-N 3.23Å
263Y97.9Very high97.3Very high147 Ų147116.9 Ų116.958%0.57656%0.558SS**EExtended strand (participates in β ladder)trans-101.5119.8170.3-69.7-103.6000108.2V244 M245 V246 L261V244-Y263 HydrophobicContact CG1-CD1 4.08Å; M245-Y263 WeakPolarHBondContact O-CA 3.4Å; V246-Y263 HydrophobicContact CB-CD1 4.41Å; V246-Y263 HydrophobicContact CB-CE1 4.25Å; V246-Y263 HydrophobicContact CG1-CD1 4.2Å; V246-Y263 HydrophobicContact CG1-CD2 4.38Å; V246-Y263 HydrophobicContact CG1-CE1 3.8Å; V246-Y263 HydrophobicContact CG1-CE2 4Å; V246-Y263 HydrophobicContact CG1-CG 4.46Å; V246-Y263 HydrophobicContact CG2-CD1 3.48Å; V246-Y263 VanDerWaalsContact CG2-CD1 3.48Å; V246-Y263 HydrophobicContact CG2-CE1 3.39Å; V246-Y263 HydrophobicContact CG2-CG 4.32Å; L261-Y263 HydrophobicContact CB-CE2 4.16Å; L261-Y263 HydrophobicContact CD2-CE2 4.38Å
264K97.4Very high97.2Very high130 Ų130114.2 Ų114.257%0.56556%0.555SS**EExtended strand (participates in β ladder)trans-133.5123.8-177.5-174.4178.5174.11790110.6M245M245-K264 PolarHBondContact N-O 2.95Å; M245-K264 PolarHBondContact O-N 3.47Å
265P96.3Very high97.2Very high101 Ų101109.6 Ų109.666%0.65654%0.54SS*.EExtended strand (participates in β ladder)trans-61.1149.3170.6-21.233.1000111.9G243G243-P265 WeakPolarHBondContact O-CA 3.42Å
266I90.2Very high97.2Very high153 Ų153101.5 Ų101.579%0.78551%0.511SS*.  trans-102.70177.7-50.2-179.5000110.3I240 G243 M245I240-I266 HydrophobicContact CB-CD1 4.25Å; I240-I266 HydrophobicContact CD1-CD1 3.49Å; I240-I266 VanDerWaalsContact CD1-CD1 3.49Å; I240-I266 HydrophobicContact CG1-CD1 3.79Å; I240-I266 HydrophobicContact CG2-CD1 3.44Å; I240-I266 VanDerWaalsContact CG2-CD1 3.44Å; G243-I266 PolarHBondContact O-N 3.33Å; M245-I266 HydrophobicContact CB-CD1 4.05Å; M245-I266 HydrophobicContact CB-CG1 4.04Å; M245-I266 HydrophobicContact CE-CD1 4.18Å; M245-I266 HydrophobicContact CE-CG1 4.49Å

Retrieved 266 of 266 residues in 1205.7 ms (Link to these results)