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AMP-activated protein kinase beta 2 non-catalytic subunit isoform B

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 , UniProt , Accession X5D2S2, Species HUMAN (Homo sapiens, Human), Gene PRKAB2, Length 272 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.6Very low35.2Very low232 Ų232151.5 Ų151.5100%1.14382%0.824SS**  0120.70-64.266.217000105.8
2R33Very low34.8Very low233 Ų233151.8 Ų151.888%0.87982%0.816SS**  46.313374.4-79.1-168-177.4-177.22.2112.3
3N33.3Very low34.7Very low133 Ų133153.1 Ų153.171%0.71180%0.802SS**  cis-174.8145.1-14.3-127.437.9000106.1
4T38.8Very low34.4Very low146 Ų146153.7 Ų153.790%0.89680%0.799SS**  trans-151.5139.4148.934.90000110.3
5T38.9Very low34Very low124 Ų124148.6 Ų148.676%0.76180%0.798SS**  trans-108.3173.6-16841.80000113
6S39.6Very low33.7Very low88 Ų88145.5 Ų145.562%0.61580%0.8SS**  trans-65.1170.6175.854.80000113.2
7D32.4Very low33.5Very low154 Ų154149.2 Ų149.282%0.82481%0.806SS**  -156.2160.784.2-87.1-21.8000116.9
8R37.5Very low33.3Very low226 Ų226146.6 Ų146.685%0.85381%0.808SS**  trans-103.4166.7170.9-65.1174.9163.699.5-4.9109.5
9V30.9Very low33.2Very low149 Ų149143.5 Ų143.590%0.90380%0.804SS**  trans-160.8155.9130.5130.70000110.8
10S35Very low32.9Very low115 Ų115148.6 Ų148.680%0.80481%0.81SS**  trans-124.5169.4-167.2-50.40000113.3
11G28.6Very low32.8Very low66 Ų66147.4 Ų147.468%0.6881%0.813SS**  trans173.4119.5157.400000109.2
12E29.5Very low32.2Very low155 Ų155145.6 Ų145.672%0.72480%0.801SS**  61.4133.353.4-65.1-150.7131.400112.8
13R33.9Very low32Very low169 Ų169138.4 Ų138.464%0.63880%0.799SS**  cis-173.6164.511-120.3172-177.4-153.827.6114.5
14H31.3Very low31.8Very low162 Ų162137.3 Ų137.375%0.7581%0.809SS**  trans69153.6154-57.2-17.8000118.6
15G27.3Very low31.3Very low77 Ų77134.3 Ų134.379%0.79481%0.807SS**  cis-180-170.80.300000109.8
16A30.2Very low30.8Very low99 Ų99131.7 Ų131.782%0.81881%0.805SS**  cis-172.6140.1-16.300000113.8
17K30.3Very low30.3Very low208 Ų208137.2 Ų137.290%0.90482%0.82SS**  trans58.2135153.9-76.9-176174.4-179.60125.8
18A29.9Very low30.2Very low102 Ų102133.9 Ų133.984%0.84381%0.814SS**  trans72.6160.514000000120.1
19A30.4Very low30.3Very low89 Ų89128.9 Ų128.974%0.73681%0.811SS**  cis-157.6164.9800000114.8
20R27.4Very low30.2Very low245 Ų245125.4 Ų125.493%0.92581%0.806SS**  trans24.8139.7147.5-67.2178171.5172.6-4.5123.4
21S31.6Very low30.1Very low124 Ų124129.1 Ų129.187%0.86781%0.808SS**  -168.4168.5109.665.90000113.9
22E26.5Very low30.3Very low194 Ų194135 Ų13591%0.90782%0.817SS**  trans-89.3170.1-175.7-58.2-172.4137.700114.9
23G28.6Very low30.4Very low81 Ų81135.5 Ų135.584%0.83582%0.819SS**  trans-160125.1160.300000110.8
24A29Very low30.5Very low111 Ų111137.3 Ų137.392%0.91783%0.832SS**  trans-117.5161.1-169.400000114
25G28.5Very low30.8Very low83 Ų83137.5 Ų137.586%0.85684%0.837SS**  trans117132.7172.700000113
26G27.8Very low31.3Very low69 Ų69142 Ų14271%0.71184%0.839SS**  cis133102.2-6.700000112.6
27H29.8Very low31.8Very low203 Ų203144.5 Ų144.594%0.9484%0.844SS**  trans-172.1145.2146.8-108.470.7000111.4
28A31Very low31.9Very low84 Ų84138.4 Ų138.469%0.69484%0.839SS**  trans-115-173.2172.100000108.2
29P39.6Very low32.1Very low121 Ų121138.3 Ų138.379%0.78683%0.833SS**  cis-131.6160-3.639.1-22.6000115.4
30G28.7Very low32.3Very low77 Ų77140.5 Ų140.579%0.79484%0.837SS**PPolyproline II helixtrans-79.4148.516400000111.9
31K32.5Very low32.8Very low193 Ų193136.3 Ų136.384%0.83983%0.833SS**PPolyproline II helixtrans-90.2128.1174.1-73.7-178.2175.5178.90111.1
32E31.7Very low33Very low188 Ų188137.8 Ų137.888%0.87983%0.831SS**PPolyproline II helixtrans-71.5140.2168-58.5-179141.300111
33H31.9Very low33.9Very low166 Ų166134 Ų13477%0.76982%0.824SS**  trans-134.1121.3160.3-82.1-97.1000110.3
34K35.6Very low34.3Very low207 Ų207135.3 Ų135.390%0.982%0.82SS**  trans-53.9140.5175.9-92.6172.4168.7173.80112.1
35I38.4Very low34.7Very low167 Ų167136.8 Ų136.886%0.85682%0.817SS**  trans-116.3127.9158.6-61.5179.5000107.9
36M38.1Very low35Very low172 Ų172142.9 Ų142.985%0.84782%0.82SS**  trans-89.1151.9173.5-74.9-176.1-66.600110.8
37V40.3Very low35.3Very low151 Ų151145 Ų14592%0.91582%0.824SS**  trans-75138.3176.4178.80000110.5
38G32.3Very low35.7Very low79 Ų79142.9 Ų142.981%0.81482%0.819SS**  trans-151.5118.2168.300000109.5
39S34Very low36Very low100 Ų100144.6 Ų144.670%0.69982%0.823SS**  trans-101.7145.2-177.3-176.80000110.5
40T35.2Very low35.8Very low135 Ų135144.9 Ų144.983%0.82882%0.818SS**  163.5143.3119.143.30000111.7
41D36.9Very low36.1Very low158 Ų158146.8 Ų146.885%0.84582%0.82SS**  trans-73.4148.9176.7-46.7-92.6000113.7
42D37.4Very low36.1Very low154 Ų154146.1 Ų146.182%0.82482%0.817SS**  trans-154.2123.7150.1-159.5-9.3000111.2
43P44.1Very low36.3Very low115 Ų115145.4 Ų145.475%0.74782%0.818SS**  trans-113.289.2-174.938.2-28.3000114.3
44S37.6Very low36.6Very low108 Ų108143.6 Ų143.676%0.75582%0.821SS**  trans177.7105.9145.445.10000115.1
45V36.2Very low36.9Very low142 Ų142136.9 Ų136.986%0.86181%0.81SS**  trans-14486.6151.9-172.50000110
46F35.4Very low37.3Very low211 Ų211136.2 Ų136.293%0.92581%0.808SS**  trans-96.1101.6159.3-100.1-82.8000108.5
47S34.3Very low37.7Very low113 Ų113136.9 Ų136.979%0.7981%0.807SS**  trans-166.6126.7157.2-81.10000110.5
48L37.9Very low37.9Very low160 Ų160137.3 Ų137.384%0.83880%0.799SS**  trans-71.5167.9176.9-85.9119.2000111.9
49P38.7Very low38.3Very low120 Ų120142.1 Ų142.178%0.77980%0.797SS**  cis-147.2166.535.841-19.5000121.1
50D33.5Very low38.9Very low126 Ų126141.1 Ų141.167%0.67479%0.787SS**  trans18.2122.5148.2-148.94.1000121.1
51S35.1Very low39.4Very low118 Ų118137.4 Ų137.483%0.82577%0.767SS**  trans-151123.8151.148.40000111.4
52K33.6Very low39.9Very low179 Ų179139.3 Ų139.378%0.77876%0.762SS**  trans-84.8139.6-177.8-69.2169.6179.9163.70111.8
53L34.7Very low40.3Very low172 Ų172138.2 Ų138.290%0.90175%0.752SS**  trans-106.2133.4157.7-70.2171.6000109.3
54P38.2Very low40.4Very low129 Ų129137.6 Ų137.684%0.83874%0.739SS**  trans-91.2135.717534.4-30.6000111.2
55G43.3Very low40.6Very low66 Ų66137.1 Ų137.168%0.6873%0.728SS**  trans-164.7-44.3177.300000114.9
56D45.9Very low41.2Very low152 Ų152137.1 Ų137.181%0.81372%0.723SS**SBendtrans-102.99.7-161.3-56.6-23.7000115.5
57K46Very low41.9Very low186 Ų186133.9 Ų133.981%0.80971%0.71SS**SBendtrans-92.6-25.1-172.4-70.2-161.8173-162.90115.8
58E44.7Very low42.5Very low160 Ų160134.9 Ų134.975%0.74871%0.707SS**Hα-helixtrans-78-24.7-174.4-67.7-169.8143.700113.5V60E58-V60 VanDerWaalsContact C-N 3.31Å; E58-V60 PolarHBondContact O-N 3.14Å
59F41.1Very low42.8Very low180 Ų180132.2 Ų132.279%0.78970%0.701SS**Hα-helixtrans-73.9-20.8-178.2-161.7-100.5000113.7
60V47.4Very low43.3Very low80 Ų80131.5 Ų131.549%0.48570%0.695SS.*Hα-helixtrans-96.7-27-178-166.80000112.3E58 W62 Q63 Q64E58-V60 VanDerWaalsContact C-N 3.31Å; E58-V60 PolarHBondContact O-N 3.14Å; V60-W62 PolarHBondContact O-N 2.92Å; V60-Q63 PolarHBondContact O-N 2.87Å; V60-Q64 PolarHBondContact O-N 2.86Å
61S44.6Very low43.7Very low57 Ų57134 Ų13440%0.39970%0.699SS.*Hα-helixtrans-56.3-48.6-178.5-168.60000112.7Q63 Q64 D65S61-Q63 PolarHBondContact O-N 2.89Å; S61-Q64 WeakPolarHBondContact O-CB 3.32Å; S61-Q64 PolarHBondContact O-N 3.02Å; S61-Q64 VanDerWaalsContact O-N 3.09Å; S61-D65 PolarHBondContact O-N 3.07Å; S61-D65 VanDerWaalsContact O-N 3.09Å; S61-D65 PolarHBondContact OG-OD2 2.81Å
62W48.3Very low44.2Very low198 Ų198134.6 Ų134.675%0.7570%0.701SS**Hα-helixtrans-68-18.2-175.3-66.396000114.2V60V60-W62 PolarHBondContact O-N 2.92Å
63Q46.3Very low45Very low130 Ų130131.2 Ų131.261%0.60770%0.695SS**Hα-helixtrans-80.4-39.8171.4-72.6-175.3-47.400111.2V60 S61 L66V60-Q63 PolarHBondContact O-N 2.87Å; S61-Q63 PolarHBondContact O-N 2.89Å; Q63-L66 PolarHBondContact O-N 2.86Å
64Q44.9Very low46.4Very low102 Ų102130.1 Ų130.148%0.47769%0.686SS.*Hα-helixtrans-63.6-45.3178.5-148.27465.300111.8V60 S61 L66 E67 D68V60-Q64 PolarHBondContact O-N 2.86Å; S61-Q64 WeakPolarHBondContact O-CB 3.32Å; S61-Q64 PolarHBondContact O-N 3.02Å; S61-Q64 VanDerWaalsContact O-N 3.09Å; Q64-L66 PolarHBondContact O-N 2.89Å; Q64-E67 PolarHBondContact O-N 2.87Å; Q64-E67 VanDerWaalsContact O-N 3.15Å; Q64-D68 PolarHBondContact O-N 2.91Å
65D42Very low48.3Very low98 Ų98130.8 Ų130.852%0.52468%0.678SS.*Hα-helixtrans-68.2-15.2-177.7-63.1-38.3000113.7S61S61-D65 PolarHBondContact O-N 3.07Å; S61-D65 VanDerWaalsContact O-N 3.09Å; S61-D65 PolarHBondContact OG-OD2 2.81Å
66L49.3Very low50.4Low143 Ų143129.9 Ų129.975%0.74966%0.664SS**Hα-helixtrans-87.1-22.5175.7-100.9161000113.2Q63 Q64Q63-L66 PolarHBondContact O-N 2.86Å; Q64-L66 PolarHBondContact O-N 2.89Å
67E50.9Low52.4Low142 Ų142124.5 Ų124.566%0.66463%0.632SS**Hα-helixtrans-91.4-35.2178-66.1-174.8140.500112Q64 S69Q64-E67 PolarHBondContact O-N 2.87Å; Q64-E67 VanDerWaalsContact O-N 3.15Å; E67-S69 VanDerWaalsContact C-N 3.28Å; E67-S69 PolarHBondContact O-N 2.84Å
68D47.1Very low54.7Low135 Ų135118.6 Ų118.672%0.72261%0.613SS**THydrogen-bonded Turntrans-79.44-176.9-87.9-35.7000115.5Q64Q64-D68 PolarHBondContact O-N 2.91Å
69S43.5Very low57.1Low103 Ų103111.9 Ų111.972%0.7258%0.582SS**THydrogen-bonded Turntrans-102.49.7175.9-1470000114.2E67 K71E67-S69 VanDerWaalsContact C-N 3.28Å; E67-S69 PolarHBondContact O-N 2.84Å; S69-K71 PolarHBondContact O-N 2.81Å
70V48.8Very low59.7Low106 Ų106107.7 Ų107.764%0.64257%0.572SS**SBendtrans-88.9102.4166.8-174.20000108.5
71K42Very low62Low177 Ų177104.1 Ų104.177%0.7755%0.55SS*.  trans-48.5136.2163.8-64.3177.3-177.9176.70107.7S69 T73S69-K71 PolarHBondContact O-N 2.81Å; K71-T73 PolarHBondContact O-N 2.8Å
72P44.8Very low64.4Low132 Ų132108 Ų10886%0.85756%0.556SS**  trans-68.979.6178.528.4-35000110.3Q74P72-Q74 PolarHBondContact O-N 3.49Å
73T52.2Low66.6Low108 Ų10899.2 Ų99.266%0.66352%0.522SS*.  trans-55.8124.1156.443.50000106.3K71 Q75K71-T73 PolarHBondContact O-N 2.8Å; T73-Q75 VanDerWaalsContact C-N 3.34Å; T73-Q75 PolarHBondContact O-N 2.93Å
74Q63.5Low68.9Low148 Ų14895.1 Ų95.169%0.69251%0.508SS*.  trans-55.1101.8173.2-72.2173.9-50.200107.9P72 A76 P119P72-Q74 PolarHBondContact O-N 3.49Å; Q74-A76 PolarHBondContact O-N 2.91Å; Q74-A76 VanDerWaalsContact O-N 3.13Å; Q74-P119 HydrophobicContact CB-CB 3.94Å
75Q78.3Confident71.1Confident144 Ų14496.7 Ų96.767%0.67352%0.515SS*.  trans-69.4116.5-173.2-172.1171.82.500107.2T73T73-Q75 VanDerWaalsContact C-N 3.34Å; T73-Q75 PolarHBondContact O-N 2.93Å
76A86.3Confident73.2Confident47 Ų4793.2 Ų93.239%0.38850%0.502SS..  trans-67.7136.1176.200000109.1Q74 D117 L118Q74-A76 PolarHBondContact O-N 2.91Å; Q74-A76 VanDerWaalsContact O-N 3.13Å; A76-D117 HydrophobicContact CB-CB 3.75Å; A76-L118 WeakPolarHBondContact CA-O 3.45Å
77R88.5Confident75.1Confident39 Ų3987.6 Ų87.615%0.14748%0.48CS..EExtended strand (participates in β ladder)trans-118.9127.8-171.9-69.7173.5-175.7-120.30.7109.1T79 D117 L118 E120 V155 K157 F160R77-T79 PolarHBondContact O-N 2.84Å; R77-T79 PolarHBondContact O-OG1 3.02Å; R77-D117 WeakPolarHBondContact O-CA 3.3Å; R77-L118 PolarHBondContact N-O 2.82Å; R77-L118 PolarHBondContact O-N 2.86Å; R77-E120 IonicContact CZ-OE1 3.79Å; R77-E120 VanDerWaalsContact CZ-OE1 3.27Å; R77-E120 IonicContact NE-OE1 2.74Å; R77-E120 PolarHBondContact NE-OE1 3.38Å; R77-E120 VanDerWaalsContact NE-OE1 3.14Å; R77-E120 IonicContact NH2-OE1 3.51Å; R77-E120 PolarHBondContact NH2-OE1 2.6Å; R77-V155 HydrophobicContact CB-CG1 4.33Å; R77-K157 PolarHBondContact NH1-O 2.81Å; R77-F160 HydrophobicContact CB-CD2 3.89Å; R77-F160 HydrophobicContact CB-CE2 3.71Å; R77-F160 HydrophobicContact CG-CD2 4.07Å; R77-F160 HydrophobicContact CG-CE2 4.19Å
78P94.3Very high77Confident62 Ų6289 Ų8940%0.40348%0.483SS..EExtended strand (participates in β ladder)trans-60113.7178.422-34000110.2I115 D117 F160P78-I115 HydrophobicContact CB-CG2 3.71Å; P78-D117 VanDerWaalsContact CA-OD1 3.24Å; P78-D117 WeakPolarHBondContact CA-OD1 3.24Å; P78-D117 WeakPolarHBondContact CB-OD1 3.29Å; P78-D117 WeakPolarHBondContact CD-OD1 3.37Å; P78-F160 HydrophobicContact CG-CE2 3.83Å; P78-F160 HydrophobicContact CG-CZ 3.58Å
79T94.9Very high79.2Confident18 Ų1888.8 Ų88.811%0.1148%0.478CS..EExtended strand (participates in β ladder)trans-112124.9-178.5-55.20000107.8R77 I115 L116 L118 I153 V155R77-T79 PolarHBondContact O-N 2.84Å; R77-T79 PolarHBondContact O-OG1 3.02Å; T79-I115 WeakPolarHBondContact O-CA 3.07Å; T79-L116 PolarHBondContact N-O 2.93Å; T79-L116 PolarHBondContact O-N 2.89Å; T79-L118 HydrophobicContact CG2-CD1 4.06Å; T79-I153 HydrophobicContact CG2-CD1 3.51Å; T79-V155 HydrophobicContact CG2-CG2 4.17Å
80V95.3Very high81.7Confident93 Ų9384 Ų8456%0.56445%0.445SS*.EExtended strand (participates in β ladder)trans-83.4123.1178.9-174.80000108.6V113 I115V80-V113 HydrophobicContact CG1-CG1 3.84Å; V80-I115 HydrophobicContact CG2-CG1 4.35Å
81I95.5Very high84Confident4 Ų481.4 Ų81.42%0.02143%0.425CS..EExtended strand (participates in β ladder)trans-116.1129.6171.8-52.7177.2000108.2I92 V113 A114 L116 Y125 F127I81-I92 HydrophobicContact CB-CD1 4.24Å; I81-I92 HydrophobicContact CD1-CD1 3.62Å; I81-I92 HydrophobicContact CG2-CD1 3.64Å; I81-V113 WeakPolarHBondContact O-CA 3.28Å; I81-A114 PolarHBondContact N-O 3.18Å; I81-A114 PolarHBondContact O-N 2.97Å; I81-L116 HydrophobicContact CD1-CD1 3.99Å; I81-Y125 HydrophobicContact CG2-CD2 4.29Å; I81-Y125 HydrophobicContact CG2-CE2 3.82Å; I81-F127 HydrophobicContact CG2-CE1 4.07Å; I81-F127 HydrophobicContact CG2-CZ 3.74Å
82R95.6Very high86.6Confident140 Ų14073 Ų7353%0.52839%0.388SS..EExtended strand (participates in β ladder)trans-127.2152-172.3-174.416770137.4-3.8110.7D111 F112 V113 F127R82-D111 WeakPolarHBondContact CD-OD2 3.34Å; R82-D111 HydrophobicContact CG-CB 4.12Å; R82-D111 IonicContact CZ-OD2 3.27Å; R82-D111 IonicContact NE-OD2 2.71Å; R82-D111 IonicContact NH1-OD2 3.14Å; R82-D111 PolarHBondContact NH1-OD2 3.35Å; R82-F112 CarbonylContact C-O 3.56Å; R82-F112 WeakPolarHBondContact CA-O 3.35Å; R82-V113 HydrophobicContact CG-CG2 4.11Å; R82-F127 WeakPolarHBondContact O-CZ 3.33Å
83W95.7Very high89.1Confident13 Ų1366.8 Ų66.85%0.04935%0.348CS..EExtended strand (participates in β ladder)trans-138122.3174.9171.2-96.5000109.1E85 G86 V90 L105 F112 F127 V129 V134 D136W83-E85 HydrophobicContact CH2-CB 4Å; W83-E85 HydrophobicContact CH2-CG 4.13Å; W83-E85 HydrophobicContact CZ2-CB 3.52Å; W83-E85 HydrophobicContact CZ2-CG 4.17Å; W83-E85 HydrophobicContact CZ3-CG 4.49Å; W83-G86 PolarHBondContact NE1-O 2.87Å; W83-V90 HydrophobicContact CB-CG1 4.38Å; W83-V90 HydrophobicContact CG-CG1 4.13Å; W83-L105 HydrophobicContact CB-CD2 4.18Å; W83-F112 HydrophobicContact CB-CB 4.22Å; W83-F112 PolarHBondContact N-O 2.75Å; W83-F112 PolarHBondContact O-N 2.85Å; W83-F127 HydrophobicContact CB-CD1 4.26Å; W83-F127 HydrophobicContact CB-CE1 3.92Å; W83-F127 HydrophobicContact CB-CZ 4.1Å; W83-F127 HydrophobicContact CD2-CD2 4.28Å; W83-F127 HydrophobicContact CD2-CG 4.25Å; W83-F127 HydrophobicContact CE3-CB 4.3Å; W83-F127 HydrophobicContact CE3-CD1 4.37Å; W83-F127 AromaticContact CE3-CD2 3.37Å; W83-F127 HydrophobicContact CE3-CD2 3.37Å; W83-F127 AromaticContact CE3-CE2 3.64Å; W83-F127 HydrophobicContact CE3-CE2 3.64Å; W83-F127 AromaticContact CE3-CG 3.76Å; W83-F127 HydrophobicContact CE3-CG 3.76Å; W83-F127 HydrophobicContact CE3-CZ 4.24Å; W83-F127 HydrophobicContact CZ3-CB 4.43Å; W83-F127 AromaticContact CZ3-CD2 3.71Å; W83-F127 HydrophobicContact CZ3-CD2 3.71Å; W83-F127 HydrophobicContact CZ3-CE2 4.26Å; W83-F127 HydrophobicContact CZ3-CG 4.24Å; W83-V129 HydrophobicContact CD2-CG2 4.45Å; W83-V129 HydrophobicContact CH2-CG2 4.45Å; W83-V129 HydrophobicContact CZ2-CG2 3.71Å; W83-V134 HydrophobicContact CH2-CB 4.14Å; W83-V134 HydrophobicContact CH2-CG2 3.42Å; W83-V134 VanDerWaalsContact CH2-CG2 3.42Å; W83-V134 HydrophobicContact CZ2-CG2 3.79Å; W83-V134 HydrophobicContact CZ3-CG2 4.12Å; W83-D136 HydrophobicContact CE3-CB 4.22Å; W83-D136 HydrophobicContact CZ3-CB 4.11Å
84S93.8Very high91.1Very high43 Ų4361.7 Ų61.730%0.30132%0.316SS..  trans-110.4-9-173.450.70000115.4G86S84-G86 PolarHBondContact O-N 2.8Å
85E90.1Very high92.6Very high135 Ų13556.6 Ų56.663%0.63130%0.297SS*.SBendtrans-7712.3-176.6-61.5-67.911200114W83W83-E85 HydrophobicContact CH2-CB 4Å; W83-E85 HydrophobicContact CH2-CG 4.13Å; W83-E85 HydrophobicContact CZ2-CB 3.52Å; W83-E85 HydrophobicContact CZ2-CG 4.17Å; W83-E85 HydrophobicContact CZ3-CG 4.49Å
86G87.5Confident93.2Very high25 Ų2552.3 Ų52.326%0.25828%0.277SS..  trans74.2-165.5178.400000115.1W83 S84W83-G86 PolarHBondContact NE1-O 2.87Å; S84-G86 PolarHBondContact O-N 2.8Å
87G89.8Confident93.5Very high26 Ų2651 Ų5127%0.26826%0.263SS..  trans132.4171.9-175.600000113.7K107 F112G87-K107 PolarHBondContact O-NZ 3.49Å; G87-F112 WeakPolarHBondContact O-CZ 3.39Å
88K90.4Very high93.6Very high171 Ų17155.7 Ų55.774%0.74329%0.291SS*.SBendtrans-95.6-53.8170.8-58.8176.5-175.3172.50110.7D130K88-D130 WeakPolarHBondContact CA-OD1 3.48Å; K88-D130 WeakPolarHBondContact CB-OD1 3.49Å; K88-D130 PolarHBondContact N-OD1 3.09Å; K88-D130 PolarHBondContact N-OD2 3.01Å; K88-D130 VanDerWaalsContact N-OD2 3.14Å
89E93Very high93.5Very high130 Ų13057.7 Ų57.761%0.60729%0.291SS*.SBendtrans-124.7118.6179.7-61.2-173.3120.100109.5F91 V129 D130E89-F91 HydrophobicContact CB-CE2 3.85Å; E89-F91 HydrophobicContact CB-CZ 4.48Å; E89-V129 WeakPolarHBondContact O-CA 3.43Å; E89-D130 PolarHBondContact N-OD1 2.77Å; E89-D130 PolarHBondContact O-N 2.94Å
90V96.7Very high93.3Very high4 Ų461.2 Ų61.22%0.02432%0.316CS..EExtended strand (participates in β ladder)trans-121.5126.9-178.2179.60000108.6W83 L105 F112 F127 V129W83-V90 HydrophobicContact CB-CG1 4.38Å; W83-V90 HydrophobicContact CG-CG1 4.13Å; V90-L105 HydrophobicContact CB-CB 4.41Å; V90-L105 HydrophobicContact CG1-CB 4.26Å; V90-L105 HydrophobicContact CG1-CD1 4.32Å; V90-L105 HydrophobicContact CG1-CD2 3.93Å; V90-L105 HydrophobicContact CG1-CG 4.38Å; V90-L105 PolarHBondContact O-N 3.06Å; V90-F112 HydrophobicContact CB-CB 4.24Å; V90-F112 HydrophobicContact CB-CD1 3.64Å; V90-F112 HydrophobicContact CB-CD2 4.42Å; V90-F112 HydrophobicContact CB-CE1 3.93Å; V90-F112 HydrophobicContact CB-CG 3.88Å; V90-F112 HydrophobicContact CB-CZ 4.43Å; V90-F112 HydrophobicContact CG1-CB 4.24Å; V90-F112 HydrophobicContact CG1-CG 4.39Å; V90-F112 HydrophobicContact CG2-CB 4.39Å; V90-F112 HydrophobicContact CG2-CD1 3.68Å; V90-F112 HydrophobicContact CG2-CD2 3.73Å; V90-F112 HydrophobicContact CG2-CE1 3.64Å; V90-F112 HydrophobicContact CG2-CE2 3.7Å; V90-F112 HydrophobicContact CG2-CG 3.69Å; V90-F112 HydrophobicContact CG2-CZ 3.63Å; V90-F127 HydrophobicContact CG1-CD1 4.26Å; V90-V129 HydrophobicContact CG1-CG2 4.08Å; V90-V129 HydrophobicContact CG2-CG1 4.19Å; V90-V129 HydrophobicContact CG2-CG2 4.13Å
91F96.9Very high93.1Very high51 Ų5160.6 Ų60.622%0.22431%0.313CS..EExtended strand (participates in β ladder)trans-126.6162.1174.4-52.4-102000110.6E89 K102 I103 P104 F127 F128E89-F91 HydrophobicContact CB-CE2 3.85Å; E89-F91 HydrophobicContact CB-CZ 4.48Å; F91-K102 HydrophobicContact CB-CB 3.85Å; F91-K102 HydrophobicContact CB-CG 4.49Å; F91-K102 HydrophobicContact CD1-CB 3.95Å; F91-K102 HydrophobicContact CG-CB 4.08Å; F91-I103 CarbonylContact C-O 3.55Å; F91-I103 WeakPolarHBondContact CA-O 3.46Å; F91-I103 WeakPolarHBondContact CB-O 3.47Å; F91-P104 HydrophobicContact CD1-CB 3.86Å; F91-P104 HydrophobicContact CE1-CB 3.89Å; F91-F127 CarbonylContact O-C 3.41Å; F91-F127 WeakPolarHBondContact O-CA 3.41Å; F91-F128 HydrophobicContact CB-CB 4.34Å; F91-F128 HydrophobicContact CD2-CD1 4.06Å; F91-F128 PolarHBondContact N-O 2.98Å; F91-F128 PolarHBondContact O-N 3.18Å
92I96.7Very high93.1Very high0 Ų064.6 Ų64.60%033%0.33CS..EExtended strand (participates in β ladder)trans-126.5145.3172.9-171.6170.1000111.3I81 F96 I103 L105 L116 Y125 F127I81-I92 HydrophobicContact CB-CD1 4.24Å; I81-I92 HydrophobicContact CD1-CD1 3.62Å; I81-I92 HydrophobicContact CG2-CD1 3.64Å; I92-F96 HydrophobicContact CD1-CZ 4.4Å; I92-F96 HydrophobicContact CG1-CZ 4.3Å; I92-I103 HydrophobicContact CG2-CB 3.92Å; I92-I103 PolarHBondContact N-O 2.83Å; I92-I103 PolarHBondContact O-N 3.12Å; I92-L105 HydrophobicContact CB-CD1 3.72Å; I92-L105 HydrophobicContact CG2-CD1 3.53Å; I92-L116 HydrophobicContact CG2-CD1 4.42Å; I92-Y125 HydrophobicContact CD1-CD2 3.56Å; I92-Y125 HydrophobicContact CD1-CE2 4.32Å; I92-Y125 HydrophobicContact CD1-CG 4.07Å; I92-Y125 HydrophobicContact CG1-CD2 4.2Å; I92-F127 HydrophobicContact CB-CD1 4.33Å; I92-F127 HydrophobicContact CB-CE1 4.48Å; I92-F127 HydrophobicContact CD1-CE1 4.11Å; I92-F127 HydrophobicContact CG1-CE1 4.5Å
93S96.1Very high93.1Very high2 Ų260.2 Ų60.21%0.01432%0.316CS..EExtended strand (participates in β ladder)trans-136.9154.7167.4-59.10000109.1W99 T101 Y125 K126S93-W99 WeakPolarHBondContact O-CZ3 3.33Å; S93-T101 WeakPolarHBondContact CB-O 3.39Å; S93-T101 PolarHBondContact OG-O 2.91Å; S93-Y125 CarbonylContact O-C 3.48Å; S93-Y125 WeakPolarHBondContact O-CA 3.32Å; S93-K126 PolarHBondContact N-O 2.8Å; S93-K126 VanDerWaalsContact N-O 3.12Å; S93-K126 PolarHBondContact O-N 3.28Å
94G95Very high93.1Very high0 Ų063.4 Ų63.40%034%0.339CS..EExtended strand (participates in β ladder)trans-168-171.7-179.500000114.7F96 N97 N98 W99 Q124G94-F96 VanDerWaalsContact C-N 3.26Å; G94-F96 PolarHBondContact O-N 2.77Å; G94-N97 PolarHBondContact N-OD1 2.99Å; G94-N97 PolarHBondContact O-N 2.88Å; G94-N97 PolarHBondContact O-OD1 2.9Å; G94-N98 PolarHBondContact O-N 2.91Å; G94-W99 PolarHBondContact O-N 2.86Å; G94-Q124 CarbonylContact C-O 3.54Å; G94-Q124 WeakPolarHBondContact CA-O 3.42Å
95S93.6Very high93.2Very high42 Ų4262 Ų6229%0.29433%0.328SS..G310 helixtrans-56.9-40.3176.349.30000112.2N97 N98 H123 Q124S95-N97 PolarHBondContact O-N 2.85Å; S95-N97 VanDerWaalsContact O-N 3.15Å; S95-N98 PolarHBondContact O-N 2.68Å; S95-H123 WeakPolarHBondContact OG-CA 3.34Å; S95-Q124 PolarHBondContact N-O 3.15Å; S95-Q124 PolarHBondContact OG-N 3.04Å; S95-Q124 VanDerWaalsContact OG-N 3.09Å; S95-Q124 PolarHBondContact OG-O 3.31Å
96F92.1Very high93.5Very high53 Ų5361.6 Ų61.623%0.23233%0.329CS..G310 helixtrans-60.7-22.2-178.955.4-102.4000114.7I92 G94 I103 L116 L118I92-F96 HydrophobicContact CD1-CZ 4.4Å; I92-F96 HydrophobicContact CG1-CZ 4.3Å; G94-F96 VanDerWaalsContact C-N 3.26Å; G94-F96 PolarHBondContact O-N 2.77Å; F96-I103 HydrophobicContact CE2-CD1 3.87Å; F96-L116 HydrophobicContact CD2-CD1 4.31Å; F96-L116 HydrophobicContact CE1-CD1 4.12Å; F96-L116 HydrophobicContact CE2-CD1 3.61Å; F96-L116 HydrophobicContact CZ-CD1 3.49Å; F96-L116 VanDerWaalsContact CZ-CD1 3.49Å; F96-L118 HydrophobicContact CB-CD2 3.56Å; F96-L118 HydrophobicContact CD1-CD1 4.47Å; F96-L118 HydrophobicContact CD1-CD2 3.64Å; F96-L118 HydrophobicContact CD2-CD2 4.29Å; F96-L118 HydrophobicContact CE1-CD2 4.43Å; F96-L118 HydrophobicContact CG-CD2 3.56Å
97N91.2Very high93.8Very high19 Ų1966.4 Ų66.410%0.10234%0.343CS..G310 helixtrans-119.622.9173.675.7-16.2000113.2G94 S95 W99 S100 T101G94-N97 PolarHBondContact N-OD1 2.99Å; G94-N97 PolarHBondContact O-N 2.88Å; G94-N97 PolarHBondContact O-OD1 2.9Å; S95-N97 PolarHBondContact O-N 2.85Å; S95-N97 VanDerWaalsContact O-N 3.15Å; N97-W99 PolarHBondContact O-N 2.99Å; N97-W99 VanDerWaalsContact O-N 3.1Å; N97-W99 PolarHBondContact OD1-N 3.46Å; N97-S100 WeakPolarHBondContact O-CB 3.21Å; N97-S100 PolarHBondContact O-N 3.01Å; N97-S100 PolarHBondContact O-OG 3.1Å; N97-T101 PolarHBondContact ND2-O 2.68Å; N97-T101 PolarHBondContact ND2-OG1 3.46Å
98N91.8Very high93.7Very high139 Ų13968.5 Ų68.574%0.74335%0.353SS*.THydrogen-bonded Turntrans51.430.2-178.1-61.8-54.5000113.6G94 S95 S100G94-N98 PolarHBondContact O-N 2.91Å; S95-N98 PolarHBondContact O-N 2.68Å; N98-S100 PolarHBondContact O-N 2.93Å
99W92.2Very high93.5Very high103 Ų10369.7 Ų69.739%0.3936%0.361SS..THydrogen-bonded Turntrans55.515.8-174.5-55.289.3000115S93 G94 N97 Q124 K126 N150S93-W99 WeakPolarHBondContact O-CZ3 3.33Å; G94-W99 PolarHBondContact O-N 2.86Å; N97-W99 PolarHBondContact O-N 2.99Å; N97-W99 VanDerWaalsContact O-N 3.1Å; N97-W99 PolarHBondContact OD1-N 3.46Å; W99-Q124 HydrophobicContact CZ2-CB 3.95Å; W99-K126 HydrophobicContact CH2-CB 4.08Å; W99-K126 HydrophobicContact CZ3-CB 3.7Å; W99-N150 HydrophobicContact CH2-CB 4.24Å; W99-N150 WeakPolarHBondContact CZ2-ND2 3.5Å
100S90.1Very high93.3Very high92 Ų9269.1 Ų69.164%0.64336%0.362SS*.  trans-84.4-31.3-167.864.80000113.9N97 N98N97-S100 WeakPolarHBondContact O-CB 3.21Å; N97-S100 PolarHBondContact O-N 3.01Å; N97-S100 PolarHBondContact O-OG 3.1Å; N98-S100 PolarHBondContact O-N 2.93Å
101T92.3Very high93.1Very high80 Ų8070.6 Ų70.649%0.49137%0.37SS..  trans-126.8156.4-17758.10000111.5S93 N97S93-T101 WeakPolarHBondContact CB-O 3.39Å; S93-T101 PolarHBondContact OG-O 2.91Å; N97-T101 PolarHBondContact ND2-O 2.68Å; N97-T101 PolarHBondContact ND2-OG1 3.46Å
102K94.2Very high93.1Very high88 Ų8868.4 Ų68.438%0.38336%0.36SS..  trans-104.1110.4173.6-70.8-176.3-177.4-178.90108.1F91 F128F91-K102 HydrophobicContact CB-CB 3.85Å; F91-K102 HydrophobicContact CB-CG 4.49Å; F91-K102 HydrophobicContact CD1-CB 3.95Å; F91-K102 HydrophobicContact CG-CB 4.08Å; K102-F128 HydrophobicContact CD-CB 4.4Å; K102-F128 HydrophobicContact CD-CD1 3.92Å; K102-F128 HydrophobicContact CD-CE1 4.41Å; K102-F128 HydrophobicContact CD-CG 4.12Å; K102-F128 VanDerWaalsContact NZ-CD1 3.25Å
103I95.6Very high93Very high48 Ų4870.3 Ų70.325%0.24637%0.372CS..EExtended strand (participates in β ladder)trans-84121.6177.7-53.7-179.8000107.5F91 I92 F96 L116F91-I103 CarbonylContact C-O 3.55Å; F91-I103 WeakPolarHBondContact CA-O 3.46Å; F91-I103 WeakPolarHBondContact CB-O 3.47Å; I92-I103 HydrophobicContact CG2-CB 3.92Å; I92-I103 PolarHBondContact N-O 2.83Å; I92-I103 PolarHBondContact O-N 3.12Å; F96-I103 HydrophobicContact CE2-CD1 3.87Å; I103-L116 HydrophobicContact CD1-CD1 4.23Å; I103-L116 HydrophobicContact CD1-CD2 3.88Å; I103-L116 HydrophobicContact CG2-CD2 4.32Å
104P95.9Very high93Very high80 Ų8070.7 Ų70.752%0.51938%0.375SS..EExtended strand (participates in β ladder)trans-69.8137.1178.228.6-33.7000110.8F91F91-P104 HydrophobicContact CD1-CB 3.86Å; F91-P104 HydrophobicContact CE1-CB 3.89Å
105L96.3Very high93Very high13 Ų1376.2 Ų76.27%0.06840%0.403CS..PPolyproline II helixtrans-85145.2171-84.669000110.4W83 V90 I92 F112 A114 F127W83-L105 HydrophobicContact CB-CD2 4.18Å; V90-L105 HydrophobicContact CB-CB 4.41Å; V90-L105 HydrophobicContact CG1-CB 4.26Å; V90-L105 HydrophobicContact CG1-CD1 4.32Å; V90-L105 HydrophobicContact CG1-CD2 3.93Å; V90-L105 HydrophobicContact CG1-CG 4.38Å; V90-L105 PolarHBondContact O-N 3.06Å; I92-L105 HydrophobicContact CB-CD1 3.72Å; I92-L105 HydrophobicContact CG2-CD1 3.53Å; L105-F112 HydrophobicContact CB-CB 3.87Å; L105-F112 HydrophobicContact CB-CD1 4.28Å; L105-F112 HydrophobicContact CD2-CB 3.85Å; L105-A114 HydrophobicContact CD1-CB 4.27Å; L105-A114 HydrophobicContact CG-CB 3.96Å; L105-F127 HydrophobicContact CD2-CD1 4.35Å; L105-F127 HydrophobicContact CD2-CE1 3.88Å
106I95.4Very high93Very high127 Ų12775.4 Ų75.465%0.65140%0.395SS*.EExtended strand (participates in β ladder)trans-80.3122.5175.3-52.3-54.2000108.7S108 F112 V113I106-S108 PolarHBondContact O-N 3.5Å; I106-F112 WeakPolarHBondContact O-CA 3.29Å; I106-V113 PolarHBondContact N-O 2.84Å; I106-V113 PolarHBondContact O-N 2.86Å
107K93.9Very high93.1Very high127 Ų12778 Ų7855%0.55241%0.412SS*.EExtended strand (participates in β ladder)trans-77.6120.1178.6-172166.5-169.4159.70111G87 F112G87-K107 PolarHBondContact O-NZ 3.49Å; K107-F112 HydrophobicContact CB-CD1 3.83Å; K107-F112 HydrophobicContact CB-CE1 3.61Å; K107-F112 HydrophobicContact CB-CZ 4.21Å; K107-F112 HydrophobicContact CD-CE1 3.7Å; K107-F112 HydrophobicContact CD-CE2 4.17Å; K107-F112 HydrophobicContact CD-CZ 3.45Å; K107-F112 VanDerWaalsContact CD-CZ 3.45Å; K107-F112 HydrophobicContact CG-CD1 4.15Å; K107-F112 HydrophobicContact CG-CE1 3.72Å; K107-F112 HydrophobicContact CG-CE2 4.24Å; K107-F112 HydrophobicContact CG-CZ 3.78Å
108S89.1Confident93.3Very high70 Ų7077.2 Ų77.249%0.4941%0.408SS..  trans-92.9-164.4165.3-1690000110I106 D111I106-S108 PolarHBondContact O-N 3.5Å; S108-D111 WeakPolarHBondContact CA-O 3.18Å; S108-D111 WeakPolarHBondContact CB-O 3.42Å; S108-D111 PolarHBondContact N-O 2.86Å
109H85.2Confident93.3Very high196 Ų19672.4 Ų72.491%0.90738%0.384SS*.SBendtrans-62.3-48.5-179.4-68.9-65.4000113.3
110N88.4Confident93.4Very high118 Ų11870 Ų7063%0.63138%0.377SS*.SBendtrans-122.1-26.6-178.5-160.880.7000112.8
111D93.3Very high93.5Very high34 Ų3467.2 Ų67.218%0.18236%0.362CS..  trans-109.3151.4-172.7-58.6-4.2000110.8R82 S108 V113R82-D111 WeakPolarHBondContact CD-OD2 3.34Å; R82-D111 HydrophobicContact CG-CB 4.12Å; R82-D111 IonicContact CZ-OD2 3.27Å; R82-D111 IonicContact NE-OD2 2.71Å; R82-D111 IonicContact NH1-OD2 3.14Å; R82-D111 PolarHBondContact NH1-OD2 3.35Å; S108-D111 WeakPolarHBondContact CA-O 3.18Å; S108-D111 WeakPolarHBondContact CB-O 3.42Å; S108-D111 PolarHBondContact N-O 2.86Å; D111-V113 HydrophobicContact CB-CG2 4.48Å
112F96Very high93.6Very high5 Ų569.6 Ų69.62%0.02237%0.368CS..EExtended strand (participates in β ladder)trans-105136.2165.6-73.8-99.8000108.6R82 W83 G87 V90 L105 I106 K107R82-F112 CarbonylContact C-O 3.56Å; R82-F112 WeakPolarHBondContact CA-O 3.35Å; W83-F112 HydrophobicContact CB-CB 4.22Å; W83-F112 PolarHBondContact N-O 2.75Å; W83-F112 PolarHBondContact O-N 2.85Å; G87-F112 WeakPolarHBondContact O-CZ 3.39Å; V90-F112 HydrophobicContact CB-CB 4.24Å; V90-F112 HydrophobicContact CB-CD1 3.64Å; V90-F112 HydrophobicContact CB-CD2 4.42Å; V90-F112 HydrophobicContact CB-CE1 3.93Å; V90-F112 HydrophobicContact CB-CG 3.88Å; V90-F112 HydrophobicContact CB-CZ 4.43Å; V90-F112 HydrophobicContact CG1-CB 4.24Å; V90-F112 HydrophobicContact CG1-CG 4.39Å; V90-F112 HydrophobicContact CG2-CB 4.39Å; V90-F112 HydrophobicContact CG2-CD1 3.68Å; V90-F112 HydrophobicContact CG2-CD2 3.73Å; V90-F112 HydrophobicContact CG2-CE1 3.64Å; V90-F112 HydrophobicContact CG2-CE2 3.7Å; V90-F112 HydrophobicContact CG2-CG 3.69Å; V90-F112 HydrophobicContact CG2-CZ 3.63Å; L105-F112 HydrophobicContact CB-CB 3.87Å; L105-F112 HydrophobicContact CB-CD1 4.28Å; L105-F112 HydrophobicContact CD2-CB 3.85Å; I106-F112 WeakPolarHBondContact O-CA 3.29Å; K107-F112 HydrophobicContact CB-CD1 3.83Å; K107-F112 HydrophobicContact CB-CE1 3.61Å; K107-F112 HydrophobicContact CB-CZ 4.21Å; K107-F112 HydrophobicContact CD-CE1 3.7Å; K107-F112 HydrophobicContact CD-CE2 4.17Å; K107-F112 HydrophobicContact CD-CZ 3.45Å; K107-F112 VanDerWaalsContact CD-CZ 3.45Å; K107-F112 HydrophobicContact CG-CD1 4.15Å; K107-F112 HydrophobicContact CG-CE1 3.72Å; K107-F112 HydrophobicContact CG-CE2 4.24Å; K107-F112 HydrophobicContact CG-CZ 3.78Å
113V96.1Very high93.7Very high41 Ų4166.2 Ų66.225%0.24835%0.354CS..EExtended strand (participates in β ladder)trans-135.6140.9-174.5-176.20000111.6V80 I81 R82 I106 D111V80-V113 HydrophobicContact CG1-CG1 3.84Å; I81-V113 WeakPolarHBondContact O-CA 3.28Å; R82-V113 HydrophobicContact CG-CG2 4.11Å; I106-V113 PolarHBondContact N-O 2.84Å; I106-V113 PolarHBondContact O-N 2.86Å; D111-V113 HydrophobicContact CB-CG2 4.48Å
114A95.1Very high93.7Very high10 Ų1066.6 Ų66.68%0.08335%0.354CS..EExtended strand (participates in β ladder)trans-127.6146.616100000109.6I81 L105 L116I81-A114 PolarHBondContact N-O 3.18Å; I81-A114 PolarHBondContact O-N 2.97Å; L105-A114 HydrophobicContact CD1-CB 4.27Å; L105-A114 HydrophobicContact CG-CB 3.96Å; A114-L116 HydrophobicContact CB-CD2 4.46Å; A114-L116 HydrophobicContact CB-CG 4.4Å
115I95.3Very high93.7Very high116 Ų11663.1 Ų63.160%0.59533%0.331SS*.EExtended strand (participates in β ladder)trans-112.9118.3169.1-55.2179000105.9P78 T79 V80P78-I115 HydrophobicContact CB-CG2 3.71Å; T79-I115 WeakPolarHBondContact O-CA 3.07Å; V80-I115 HydrophobicContact CG2-CG1 4.35Å
116L94.6Very high93.7Very high24 Ų2463.9 Ų63.913%0.12633%0.334CS..EExtended strand (participates in β ladder)trans-122.6131.3-176.6-59.1-178.3000109.6T79 I81 I92 F96 I103 A114 L118T79-L116 PolarHBondContact N-O 2.93Å; T79-L116 PolarHBondContact O-N 2.89Å; I81-L116 HydrophobicContact CD1-CD1 3.99Å; I92-L116 HydrophobicContact CG2-CD1 4.42Å; F96-L116 HydrophobicContact CD2-CD1 4.31Å; F96-L116 HydrophobicContact CE1-CD1 4.12Å; F96-L116 HydrophobicContact CE2-CD1 3.61Å; F96-L116 HydrophobicContact CZ-CD1 3.49Å; F96-L116 VanDerWaalsContact CZ-CD1 3.49Å; I103-L116 HydrophobicContact CD1-CD1 4.23Å; I103-L116 HydrophobicContact CD1-CD2 3.88Å; I103-L116 HydrophobicContact CG2-CD2 4.32Å; A114-L116 HydrophobicContact CB-CD2 4.46Å; A114-L116 HydrophobicContact CB-CG 4.4Å; L116-L118 HydrophobicContact CB-CD2 4.02Å; L116-L118 HydrophobicContact CB-CG 4.24Å; L116-L118 PolarHBondContact O-N 3.43Å
117D94.3Very high93.8Very high108 Ų10857.8 Ų57.858%0.57830%0.303SS*.EExtended strand (participates in β ladder)trans-75.7105.5172.9-63-42.2000109.3A76 R77 P78A76-D117 HydrophobicContact CB-CB 3.75Å; R77-D117 WeakPolarHBondContact O-CA 3.3Å; P78-D117 VanDerWaalsContact CA-OD1 3.24Å; P78-D117 WeakPolarHBondContact CA-OD1 3.24Å; P78-D117 WeakPolarHBondContact CB-OD1 3.29Å; P78-D117 WeakPolarHBondContact CD-OD1 3.37Å
118L93.9Very high93.9Very high2 Ų253.5 Ų53.51%0.0128%0.284CS..EExtended strand (participates in β ladder)trans-110.1133.6-178.3-58.8-173.6000110.4A76 R77 T79 F96 L116 H123 I153 V155A76-L118 WeakPolarHBondContact CA-O 3.45Å; R77-L118 PolarHBondContact N-O 2.82Å; R77-L118 PolarHBondContact O-N 2.86Å; T79-L118 HydrophobicContact CG2-CD1 4.06Å; F96-L118 HydrophobicContact CB-CD2 3.56Å; F96-L118 HydrophobicContact CD1-CD1 4.47Å; F96-L118 HydrophobicContact CD1-CD2 3.64Å; F96-L118 HydrophobicContact CD2-CD2 4.29Å; F96-L118 HydrophobicContact CE1-CD2 4.43Å; F96-L118 HydrophobicContact CG-CD2 3.56Å; L116-L118 HydrophobicContact CB-CD2 4.02Å; L116-L118 HydrophobicContact CB-CG 4.24Å; L116-L118 PolarHBondContact O-N 3.43Å; L118-H123 HydrophobicContact CD1-CB 4.4Å; L118-I153 HydrophobicContact CD1-CG2 4.42Å; L118-V155 HydrophobicContact CB-CG2 4.12Å; L118-V155 HydrophobicContact CD1-CG2 4.26Å
119P93Very high94.2Very high38 Ų3851 Ų5125%0.24727%0.266CS..  trans-67.1157.2172.330.3-34.5000110.4Q74 G121 H123Q74-P119 HydrophobicContact CB-CB 3.94Å; P119-G121 PolarHBondContact O-N 2.87Å; P119-H123 PolarHBondContact O-NE2 3.36Å
120E92.6Very high94.7Very high54 Ų5445.7 Ų45.725%0.25224%0.244SC..SBendtrans-57.1135.9176-63.7165.2-157.400112.1R77 V155 K157R77-E120 IonicContact CZ-OE1 3.79Å; R77-E120 VanDerWaalsContact CZ-OE1 3.27Å; R77-E120 IonicContact NE-OE1 2.74Å; R77-E120 PolarHBondContact NE-OE1 3.38Å; R77-E120 VanDerWaalsContact NE-OE1 3.14Å; R77-E120 IonicContact NH2-OE1 3.51Å; R77-E120 PolarHBondContact NH2-OE1 2.6Å; E120-V155 CarbonylContact C-O 3.54Å; E120-V155 VanDerWaalsContact CA-O 3.3Å; E120-V155 WeakPolarHBondContact CA-O 3.44Å; E120-K157 VanDerWaalsContact CD-CE 3.47Å; E120-K157 VanDerWaalsContact CD-CG 3.41Å; E120-K157 HydrophobicContact CG-CG 4.4Å; E120-K157 WeakPolarHBondContact OE1-CE 3.4Å; E120-K157 WeakPolarHBondContact OE1-CG 3.3Å; E120-K157 WeakPolarHBondContact OE2-CE 3.36Å; E120-K157 WeakPolarHBondContact OE2-CG 3.33Å; E120-K157 IonicContact OE2-NZ 3.95Å
121G93.3Very high94.9Very high32 Ų3242.4 Ų42.433%0.3324%0.238SC..EExtended strand (participates in β ladder)trans135.8-164.7-178.900000113.8P119 V155P119-G121 PolarHBondContact O-N 2.87Å; G121-V155 PolarHBondContact N-O 3.04Å; G121-V155 PolarHBondContact O-N 3.3Å
122E94.9Very high94.9Very high131 Ų13147.5 Ų47.561%0.61226%0.26SS*.EExtended strand (participates in β ladder)trans-92.4125.4-179.4-57.6-162.315900111.1L152 H154E122-L152 HydrophobicContact CB-CD1 4.12Å; E122-H154 VanDerWaalsContact CD-NE2 3.33Å; E122-H154 IonicContact OE1-CD2 3.94Å; E122-H154 IonicContact OE1-CE1 3.74Å; E122-H154 IonicContact OE1-NE2 2.8Å; E122-H154 PolarHBondContact OE1-NE2 3.14Å
123H95.3Very high94.9Very high16 Ų1652.9 Ų52.97%0.07428%0.281CS..EExtended strand (participates in β ladder)trans-121.5128175.8-63.1-78000111.5S95 L118 P119 L152 I153S95-H123 WeakPolarHBondContact OG-CA 3.34Å; L118-H123 HydrophobicContact CD1-CB 4.4Å; P119-H123 PolarHBondContact O-NE2 3.36Å; H123-L152 WeakPolarHBondContact O-CA 3.27Å; H123-I153 HydrophobicContact CB-CG2 3.86Å; H123-I153 PolarHBondContact N-O 3.05Å; H123-I153 PolarHBondContact O-N 3.49Å
124Q95.8Very high94.9Very high57 Ų5752.9 Ų52.927%0.26628%0.281SS..EExtended strand (participates in β ladder)trans-94136.6172.6-65.4-174.520.800109.6G94 S95 W99 V142 N150 N151 L152G94-Q124 CarbonylContact C-O 3.54Å; G94-Q124 WeakPolarHBondContact CA-O 3.42Å; S95-Q124 PolarHBondContact N-O 3.15Å; S95-Q124 PolarHBondContact OG-N 3.04Å; S95-Q124 VanDerWaalsContact OG-N 3.09Å; S95-Q124 PolarHBondContact OG-O 3.31Å; W99-Q124 HydrophobicContact CZ2-CB 3.95Å; Q124-V142 HydrophobicContact CG-CG1 3.73Å; Q124-N150 HydrophobicContact CB-CB 4.35Å; Q124-N150 PolarHBondContact OE1-ND2 3.01Å; Q124-N151 CarbonylContact C-O 3.56Å; Q124-N151 VanDerWaalsContact CA-O 3.3Å; Q124-N151 WeakPolarHBondContact CA-O 3.36Å; Q124-L152 HydrophobicContact CG-CD1 4.08Å
125Y96.1Very high94.9Very high6 Ų655.5 Ų55.52%0.02429%0.291CS..EExtended strand (participates in β ladder)trans-144164.6179.268.9-83.7000112.2I81 I92 S93 F127 N151 I153I81-Y125 HydrophobicContact CG2-CD2 4.29Å; I81-Y125 HydrophobicContact CG2-CE2 3.82Å; I92-Y125 HydrophobicContact CD1-CD2 3.56Å; I92-Y125 HydrophobicContact CD1-CE2 4.32Å; I92-Y125 HydrophobicContact CD1-CG 4.07Å; I92-Y125 HydrophobicContact CG1-CD2 4.2Å; S93-Y125 CarbonylContact O-C 3.48Å; S93-Y125 WeakPolarHBondContact O-CA 3.32Å; Y125-F127 HydrophobicContact CD2-CE2 4.18Å; Y125-F127 HydrophobicContact CD2-CZ 4.23Å; Y125-F127 HydrophobicContact CE2-CD2 4.48Å; Y125-F127 AromaticContact CE2-CE2 3.6Å; Y125-F127 HydrophobicContact CE2-CE2 3.6Å; Y125-F127 AromaticContact CE2-CZ 3.69Å; Y125-F127 HydrophobicContact CE2-CZ 3.69Å; Y125-N151 HydrophobicContact CD1-CB 3.89Å; Y125-N151 HydrophobicContact CD2-CB 3.99Å; Y125-N151 HydrophobicContact CE1-CB 3.45Å; Y125-N151 VanDerWaalsContact CE1-CB 3.45Å; Y125-N151 HydrophobicContact CE2-CB 3.57Å; Y125-N151 HydrophobicContact CG-CB 4.15Å; Y125-N151 PolarHBondContact N-O 3.01Å; Y125-N151 PolarHBondContact O-N 3.22Å; Y125-I153 HydrophobicContact CD1-CB 4.49Å; Y125-I153 HydrophobicContact CD1-CG2 3.98Å; Y125-I153 HydrophobicContact CE1-CB 3.94Å; Y125-I153 HydrophobicContact CE1-CG2 3.91Å
126K96Very high94.9Very high29 Ų2950.2 Ų50.213%0.12626%0.264CS..EExtended strand (participates in β ladder)trans-151.7146.3176.1-159167.5-171.9160.40111.2S93 W99 W133 V134 I149S93-K126 PolarHBondContact N-O 2.8Å; S93-K126 VanDerWaalsContact N-O 3.12Å; S93-K126 PolarHBondContact O-N 3.28Å; W99-K126 HydrophobicContact CH2-CB 4.08Å; W99-K126 HydrophobicContact CZ3-CB 3.7Å; K126-W133 HydrophobicContact CB-CE3 4.05Å; K126-W133 HydrophobicContact CB-CZ3 4.19Å; K126-W133 HydrophobicContact CD-CB 4.26Å; K126-W133 HydrophobicContact CD-CE3 4.12Å; K126-W133 HydrophobicContact CG-CE3 3.97Å; K126-V134 WeakPolarHBondContact CG-O 3.26Å; K126-I149 VanDerWaalsContact CE-O 3.29Å; K126-I149 WeakPolarHBondContact CE-O 3.24Å; K126-I149 PolarHBondContact NZ-O 3.44Å
127F97Very high94.8Very high0 Ų053.8 Ų53.80%029%0.289CS..EExtended strand (participates in β ladder)trans-89.7144.2176.7-61.8-76.4000111.3I81 R82 W83 V90 F91 I92 L105 Y125 V129 W133 V134 D136I81-F127 HydrophobicContact CG2-CE1 4.07Å; I81-F127 HydrophobicContact CG2-CZ 3.74Å; R82-F127 WeakPolarHBondContact O-CZ 3.33Å; W83-F127 HydrophobicContact CB-CD1 4.26Å; W83-F127 HydrophobicContact CB-CE1 3.92Å; W83-F127 HydrophobicContact CB-CZ 4.1Å; W83-F127 HydrophobicContact CD2-CD2 4.28Å; W83-F127 HydrophobicContact CD2-CG 4.25Å; W83-F127 HydrophobicContact CE3-CB 4.3Å; W83-F127 HydrophobicContact CE3-CD1 4.37Å; W83-F127 AromaticContact CE3-CD2 3.37Å; W83-F127 HydrophobicContact CE3-CD2 3.37Å; W83-F127 AromaticContact CE3-CE2 3.64Å; W83-F127 HydrophobicContact CE3-CE2 3.64Å; W83-F127 AromaticContact CE3-CG 3.76Å; W83-F127 HydrophobicContact CE3-CG 3.76Å; W83-F127 HydrophobicContact CE3-CZ 4.24Å; W83-F127 HydrophobicContact CZ3-CB 4.43Å; W83-F127 AromaticContact CZ3-CD2 3.71Å; W83-F127 HydrophobicContact CZ3-CD2 3.71Å; W83-F127 HydrophobicContact CZ3-CE2 4.26Å; W83-F127 HydrophobicContact CZ3-CG 4.24Å; V90-F127 HydrophobicContact CG1-CD1 4.26Å; F91-F127 CarbonylContact O-C 3.41Å; F91-F127 WeakPolarHBondContact O-CA 3.41Å; I92-F127 HydrophobicContact CB-CD1 4.33Å; I92-F127 HydrophobicContact CB-CE1 4.48Å; I92-F127 HydrophobicContact CD1-CE1 4.11Å; I92-F127 HydrophobicContact CG1-CE1 4.5Å; L105-F127 HydrophobicContact CD2-CD1 4.35Å; L105-F127 HydrophobicContact CD2-CE1 3.88Å; Y125-F127 HydrophobicContact CD2-CE2 4.18Å; Y125-F127 HydrophobicContact CD2-CZ 4.23Å; Y125-F127 HydrophobicContact CE2-CD2 4.48Å; Y125-F127 AromaticContact CE2-CE2 3.6Å; Y125-F127 HydrophobicContact CE2-CE2 3.6Å; Y125-F127 AromaticContact CE2-CZ 3.69Å; Y125-F127 HydrophobicContact CE2-CZ 3.69Å; F127-V129 HydrophobicContact CB-CG2 4.05Å; F127-W133 WeakPolarHBondContact O-CA 3.27Å; F127-V134 HydrophobicContact CB-CG2 4.04Å; F127-V134 PolarHBondContact N-O 2.81Å; F127-V134 PolarHBondContact O-N 2.93Å; F127-V134 VanDerWaalsContact O-O 3.09Å; F127-D136 HydrophobicContact CE2-CB 4Å
128F96.4Very high94.8Very high36 Ų3653 Ų5316%0.15829%0.292CS..EExtended strand (participates in β ladder)trans-116.7103.7169.4-173.9-96.4000107.9F91 K102 G131 Q132 W133F91-F128 HydrophobicContact CB-CB 4.34Å; F91-F128 HydrophobicContact CD2-CD1 4.06Å; F91-F128 PolarHBondContact N-O 2.98Å; F91-F128 PolarHBondContact O-N 3.18Å; K102-F128 HydrophobicContact CD-CB 4.4Å; K102-F128 HydrophobicContact CD-CD1 3.92Å; K102-F128 HydrophobicContact CD-CE1 4.41Å; K102-F128 HydrophobicContact CD-CG 4.12Å; K102-F128 VanDerWaalsContact NZ-CD1 3.25Å; F128-G131 VanDerWaalsContact CE2-C 3.47Å; F128-G131 VanDerWaalsContact CE2-O 3.24Å; F128-G131 WeakPolarHBondContact CE2-O 3.42Å; F128-G131 VanDerWaalsContact CZ-CA 3.41Å; F128-G131 VanDerWaalsContact CZ-O 3.3Å; F128-G131 WeakPolarHBondContact CZ-O 3.47Å; F128-Q132 CarbonylContact C-O 3.53Å; F128-Q132 VanDerWaalsContact CA-O 3.32Å; F128-Q132 WeakPolarHBondContact CA-O 3.48Å; F128-W133 HydrophobicContact CB-CD2 4.33Å; F128-W133 HydrophobicContact CB-CE3 3.96Å; F128-W133 HydrophobicContact CB-CH2 4.27Å; F128-W133 HydrophobicContact CB-CZ3 3.93Å; F128-W133 AromaticContact CD2-CD1 3.99Å; F128-W133 AromaticContact CD2-CD2 3.7Å; F128-W133 HydrophobicContact CD2-CD2 3.7Å; F128-W133 AromaticContact CD2-CE2 3.65Å; F128-W133 HydrophobicContact CD2-CE3 4.21Å; F128-W133 AromaticContact CD2-CG 3.95Å; F128-W133 HydrophobicContact CD2-CG 3.95Å; F128-W133 HydrophobicContact CD2-CZ2 4.14Å; F128-W133 AromaticContact CD2-NE1 3.81Å
129V96.3Very high94.8Very high18 Ų1857.1 Ų57.111%0.10931%0.311CS..EExtended strand (participates in β ladder)trans-116.8123.7-171.2-179.60000108.9W83 E89 V90 F127 G131 Q132 V134W83-V129 HydrophobicContact CD2-CG2 4.45Å; W83-V129 HydrophobicContact CH2-CG2 4.45Å; W83-V129 HydrophobicContact CZ2-CG2 3.71Å; E89-V129 WeakPolarHBondContact O-CA 3.43Å; V90-V129 HydrophobicContact CG1-CG2 4.08Å; V90-V129 HydrophobicContact CG2-CG1 4.19Å; V90-V129 HydrophobicContact CG2-CG2 4.13Å; F127-V129 HydrophobicContact CB-CG2 4.05Å; V129-G131 PolarHBondContact O-N 2.87Å; V129-Q132 PolarHBondContact N-O 3.03Å; V129-Q132 PolarHBondContact O-N 2.89Å; V129-V134 HydrophobicContact CB-CG2 3.93Å; V129-V134 HydrophobicContact CG2-CG2 3.5Å
130D94.3Very high94.9Very high85 Ų8559 Ų5946%0.45532%0.323SS..THydrogen-bonded Turntrans47.532.1174.7-65.6-9.6000114.4K88 E89K88-D130 WeakPolarHBondContact CA-OD1 3.48Å; K88-D130 WeakPolarHBondContact CB-OD1 3.49Å; K88-D130 PolarHBondContact N-OD1 3.09Å; K88-D130 PolarHBondContact N-OD2 3.01Å; K88-D130 VanDerWaalsContact N-OD2 3.14Å; E89-D130 PolarHBondContact N-OD1 2.77Å; E89-D130 PolarHBondContact O-N 2.94Å
131G93Very high95.1Very high48 Ų4860 Ų6050%0.49533%0.333SS..THydrogen-bonded Turntrans101.2-6.3179.700000116.2F128 V129F128-G131 VanDerWaalsContact CE2-C 3.47Å; F128-G131 VanDerWaalsContact CE2-O 3.24Å; F128-G131 WeakPolarHBondContact CE2-O 3.42Å; F128-G131 VanDerWaalsContact CZ-CA 3.41Å; F128-G131 VanDerWaalsContact CZ-O 3.3Å; F128-G131 WeakPolarHBondContact CZ-O 3.47Å; V129-G131 PolarHBondContact O-N 2.87Å
132Q94.6Very high95.2Very high141 Ų14160.5 Ų60.566%0.65933%0.33SS*.EExtended strand (participates in β ladder)trans-118.8146.5-174.6-60.7-168.5-0.100113.2F128 V129F128-Q132 CarbonylContact C-O 3.53Å; F128-Q132 VanDerWaalsContact CA-O 3.32Å; F128-Q132 WeakPolarHBondContact CA-O 3.48Å; V129-Q132 PolarHBondContact N-O 3.03Å; V129-Q132 PolarHBondContact O-N 2.89Å
133W94.8Very high95.2Very high118 Ų11858.8 Ų58.845%0.44733%0.328SS..EExtended strand (participates in β ladder)trans-87.1110.5175.7-75.7109.8000111.2K126 F127 F128K126-W133 HydrophobicContact CB-CE3 4.05Å; K126-W133 HydrophobicContact CB-CZ3 4.19Å; K126-W133 HydrophobicContact CD-CB 4.26Å; K126-W133 HydrophobicContact CD-CE3 4.12Å; K126-W133 HydrophobicContact CG-CE3 3.97Å; F127-W133 WeakPolarHBondContact O-CA 3.27Å; F128-W133 HydrophobicContact CB-CD2 4.33Å; F128-W133 HydrophobicContact CB-CE3 3.96Å; F128-W133 HydrophobicContact CB-CH2 4.27Å; F128-W133 HydrophobicContact CB-CZ3 3.93Å; F128-W133 AromaticContact CD2-CD1 3.99Å; F128-W133 AromaticContact CD2-CD2 3.7Å; F128-W133 HydrophobicContact CD2-CD2 3.7Å; F128-W133 AromaticContact CD2-CE2 3.65Å; F128-W133 HydrophobicContact CD2-CE3 4.21Å; F128-W133 AromaticContact CD2-CG 3.95Å; F128-W133 HydrophobicContact CD2-CG 3.95Å; F128-W133 HydrophobicContact CD2-CZ2 4.14Å; F128-W133 AromaticContact CD2-NE1 3.81Å
134V95.6Very high94.8Very high42 Ų4259.7 Ų59.726%0.25534%0.336SS..EExtended strand (participates in β ladder)trans-124.4161.4-177.3-630000111W83 K126 F127 V129W83-V134 HydrophobicContact CH2-CB 4.14Å; W83-V134 HydrophobicContact CH2-CG2 3.42Å; W83-V134 VanDerWaalsContact CH2-CG2 3.42Å; W83-V134 HydrophobicContact CZ2-CG2 3.79Å; W83-V134 HydrophobicContact CZ3-CG2 4.12Å; K126-V134 WeakPolarHBondContact CG-O 3.26Å; F127-V134 HydrophobicContact CB-CG2 4.04Å; F127-V134 PolarHBondContact N-O 2.81Å; F127-V134 PolarHBondContact O-N 2.93Å; F127-V134 VanDerWaalsContact O-O 3.09Å; V129-V134 HydrophobicContact CB-CG2 3.93Å; V129-V134 HydrophobicContact CG2-CG2 3.5Å
135H95.2Very high94.3Very high64 Ų6466.7 Ų66.730%0.29637%0.369SS..  trans-120.7155174.167.9-84.6000108P137 N151H135-P137 WeakPolarHBondContact O-CD 3.3Å; H135-N151 VanDerWaalsContact CA-OD1 3.28Å; H135-N151 WeakPolarHBondContact CA-OD1 3.47Å; H135-N151 VanDerWaalsContact CB-OD1 3.29Å; H135-N151 WeakPolarHBondContact CB-OD1 3.34Å
136D95.4Very high93.7Very high6 Ų673.9 Ų73.93%0.03241%0.407CS..  trans-77.3122.3172.8-164.8-48000109.1W83 F127 S138 E139 N151W83-D136 HydrophobicContact CE3-CB 4.22Å; W83-D136 HydrophobicContact CZ3-CB 4.11Å; F127-D136 HydrophobicContact CE2-CB 4Å; D136-S138 VanDerWaalsContact C-N 3.27Å; D136-S138 PolarHBondContact O-N 2.9Å; D136-S138 WeakPolarHBondContact OD1-CB 3.41Å; D136-S138 PolarHBondContact OD1-N 3.46Å; D136-S138 PolarHBondContact OD1-OG 2.9Å; D136-E139 HydrophobicContact CB-CB 4.29Å; D136-E139 HydrophobicContact CB-CG 4.3Å; D136-N151 PolarHBondContact N-OD1 2.74Å; D136-N151 PolarHBondContact O-ND2 2.8Å
137P93.6Very high93.3Very high98 Ų9875 Ų7564%0.63643%0.427SS*.SBendtrans-73.8-13.8178.9-16.732.2000114.4H135H135-P137 WeakPolarHBondContact O-CD 3.3Å
138S93.3Very high93.1Very high92 Ų9278 Ų7864%0.64345%0.445SS*.SBendtrans-86.2-21.8179.970.10000113.3D136D136-S138 VanDerWaalsContact C-N 3.27Å; D136-S138 PolarHBondContact O-N 2.9Å; D136-S138 WeakPolarHBondContact OD1-CB 3.41Å; D136-S138 PolarHBondContact OD1-N 3.46Å; D136-S138 PolarHBondContact OD1-OG 2.9Å
139E94.6Very high93Very high88 Ų8879.6 Ų79.641%0.41146%0.455SS..SBendtrans-97.6154-179.1-68.7-65.6154.900112.1D136 N151D136-E139 HydrophobicContact CB-CB 4.29Å; D136-E139 HydrophobicContact CB-CG 4.3Å; E139-N151 PolarHBondContact O-ND2 3.14Å
140P95.1Very high93Very high77 Ų7779 Ų7950%0.545%0.451SS..  trans-55145.4176.7-25.234.8000113.2N151 L152P140-N151 CarbonylContact O-C 3.49Å; P140-N151 VanDerWaalsContact O-CA 3.27Å; P140-N151 WeakPolarHBondContact O-CA 3.36Å; P140-N151 PolarHBondContact O-ND2 3.12Å; P140-L152 PolarHBondContact O-N 3.14Å
141V96.3Very high93.1Very high76 Ų7675 Ų7546%0.46143%0.43SS..EExtended strand (participates in β ladder)trans-128150.9-179.8-67.60000112.8I149 N150 N151V141-I149 HydrophobicContact CB-CG2 3.91Å; V141-I149 HydrophobicContact CG1-CG2 4.09Å; V141-I149 HydrophobicContact CG2-CG2 4.38Å; V141-N150 CarbonylContact C-O 3.55Å; V141-N150 VanDerWaalsContact CA-O 3.26Å; V141-N150 WeakPolarHBondContact CA-O 3.48Å; V141-N150 WeakPolarHBondContact CB-O 3.04Å; V141-N151 WeakPolarHBondContact CG1-ND2 3.49Å
142V95.8Very high93.2Very high43 Ų4373.9 Ų73.926%0.26141%0.412SS..EExtended strand (participates in β ladder)trans-133.2139.1173.565.70000110.5Q124 N150 L152Q124-V142 HydrophobicContact CG-CG1 3.73Å; V142-N150 PolarHBondContact N-O 2.93Å; V142-N150 PolarHBondContact O-N 3.05Å; V142-L152 HydrophobicContact CB-CB 4.45Å; V142-L152 HydrophobicContact CB-CD2 4.32Å; V142-L152 HydrophobicContact CG1-CB 4.11Å; V142-L152 HydrophobicContact CG1-CD1 4.47Å; V142-L152 HydrophobicContact CG1-CD2 4.48Å
143T94.6Very high93.3Very high94 Ų9468.7 Ų68.758%0.57739%0.389SS*.EExtended strand (participates in β ladder)trans-89.3116.8175.2-54.90000109.5
144S88.2Confident93.2Very high36 Ų3667 Ų6725%0.25239%0.386SS..  trans-67.4160.4174.6-1760000112L146 G147 T148S144-L146 PolarHBondContact O-N 3.13Å; S144-G147 PolarHBondContact O-N 2.8Å; S144-T148 WeakPolarHBondContact CB-O 3.48Å; S144-T148 WeakPolarHBondContact CB-OG1 3.38Å; S144-T148 PolarHBondContact N-O 3.43Å
145Q84.3Confident93.1Very high204 Ų20465.6 Ų65.695%0.95338%0.377SS*.THydrogen-bonded Turntrans-56.2-25.1177.4-60.7177.1900113.2G147Q145-G147 VanDerWaalsContact C-N 3.28Å; Q145-G147 PolarHBondContact O-N 3.3Å
146L84.1Confident92.9Very high156 Ų15667.8 Ų67.882%0.81739%0.386SS*.THydrogen-bonded Turntrans-85.78.9176.1-60.5174.7000113.5S144 T148S144-L146 PolarHBondContact O-N 3.13Å; L146-T148 VanDerWaalsContact C-N 3.27Å; L146-T148 PolarHBondContact O-N 3.33Å
147G87.9Confident92.5Very high54 Ų5474.2 Ų74.256%0.55741%0.413SS*.SBendtrans77.92.4-178.600000115S144 Q145S144-G147 PolarHBondContact O-N 2.8Å; Q145-G147 VanDerWaalsContact C-N 3.28Å; Q145-G147 PolarHBondContact O-N 3.3Å
148T91.3Very high92.2Very high62 Ų6270.5 Ų70.538%0.3839%0.39SS..  trans-81.9123.2178.960.10000111.3S144 L146S144-T148 WeakPolarHBondContact CB-O 3.48Å; S144-T148 WeakPolarHBondContact CB-OG1 3.38Å; S144-T148 PolarHBondContact N-O 3.43Å; L146-T148 VanDerWaalsContact C-N 3.27Å; L146-T148 PolarHBondContact O-N 3.33Å
149I95.1Very high91.8Very high69 Ų6969.7 Ų69.735%0.35438%0.378SS..EExtended strand (participates in β ladder)trans-75.2126.7170.1-56.2171.5000109K126 V141K126-I149 VanDerWaalsContact CE-O 3.29Å; K126-I149 WeakPolarHBondContact CE-O 3.24Å; K126-I149 PolarHBondContact NZ-O 3.44Å; V141-I149 HydrophobicContact CB-CG2 3.91Å; V141-I149 HydrophobicContact CG1-CG2 4.09Å; V141-I149 HydrophobicContact CG2-CG2 4.38Å
150N96.1Very high91.3Very high7 Ų770.4 Ų70.44%0.03738%0.38CS..EExtended strand (participates in β ladder)trans-125.5152.7176.3-62.9-21.9000108.7W99 Q124 V141 V142W99-N150 HydrophobicContact CH2-CB 4.24Å; W99-N150 WeakPolarHBondContact CZ2-ND2 3.5Å; Q124-N150 HydrophobicContact CB-CB 4.35Å; Q124-N150 PolarHBondContact OE1-ND2 3.01Å; V141-N150 CarbonylContact C-O 3.55Å; V141-N150 VanDerWaalsContact CA-O 3.26Å; V141-N150 WeakPolarHBondContact CA-O 3.48Å; V141-N150 WeakPolarHBondContact CB-O 3.04Å; V142-N150 PolarHBondContact N-O 2.93Å; V142-N150 PolarHBondContact O-N 3.05Å
151N96.4Very high91Very high0 Ų072.5 Ų72.50%038%0.383CS..EExtended strand (participates in β ladder)trans-73.3155.3166-69.3105.3000110.4Q124 Y125 H135 D136 E139 P140 V141Q124-N151 CarbonylContact C-O 3.56Å; Q124-N151 VanDerWaalsContact CA-O 3.3Å; Q124-N151 WeakPolarHBondContact CA-O 3.36Å; Y125-N151 HydrophobicContact CD1-CB 3.89Å; Y125-N151 HydrophobicContact CD2-CB 3.99Å; Y125-N151 HydrophobicContact CE1-CB 3.45Å; Y125-N151 VanDerWaalsContact CE1-CB 3.45Å; Y125-N151 HydrophobicContact CE2-CB 3.57Å; Y125-N151 HydrophobicContact CG-CB 4.15Å; Y125-N151 PolarHBondContact N-O 3.01Å; Y125-N151 PolarHBondContact O-N 3.22Å; H135-N151 VanDerWaalsContact CA-OD1 3.28Å; H135-N151 WeakPolarHBondContact CA-OD1 3.47Å; H135-N151 VanDerWaalsContact CB-OD1 3.29Å; H135-N151 WeakPolarHBondContact CB-OD1 3.34Å; D136-N151 PolarHBondContact N-OD1 2.74Å; D136-N151 PolarHBondContact O-ND2 2.8Å; E139-N151 PolarHBondContact O-ND2 3.14Å; P140-N151 CarbonylContact O-C 3.49Å; P140-N151 VanDerWaalsContact O-CA 3.27Å; P140-N151 WeakPolarHBondContact O-CA 3.36Å; P140-N151 PolarHBondContact O-ND2 3.12Å; V141-N151 WeakPolarHBondContact CG1-ND2 3.49Å
152L95.8Very high90.7Very high24 Ų2473.5 Ų73.513%0.12639%0.389CS..EExtended strand (participates in β ladder)trans-127.8129.4-179.9-178.962.8000109.4E122 H123 Q124 P140 V142E122-L152 HydrophobicContact CB-CD1 4.12Å; H123-L152 WeakPolarHBondContact O-CA 3.27Å; Q124-L152 HydrophobicContact CG-CD1 4.08Å; P140-L152 PolarHBondContact O-N 3.14Å; V142-L152 HydrophobicContact CB-CB 4.45Å; V142-L152 HydrophobicContact CB-CD2 4.32Å; V142-L152 HydrophobicContact CG1-CB 4.11Å; V142-L152 HydrophobicContact CG1-CD1 4.47Å; V142-L152 HydrophobicContact CG1-CD2 4.48Å
153I95.1Very high90.4Very high33 Ų3379.7 Ų79.717%0.16941%0.413CS..EExtended strand (participates in β ladder)trans-123.7135.3172.9-173.2162.7000110.4T79 L118 H123 Y125T79-I153 HydrophobicContact CG2-CD1 3.51Å; L118-I153 HydrophobicContact CD1-CG2 4.42Å; H123-I153 HydrophobicContact CB-CG2 3.86Å; H123-I153 PolarHBondContact N-O 3.05Å; H123-I153 PolarHBondContact O-N 3.49Å; Y125-I153 HydrophobicContact CD1-CB 4.49Å; Y125-I153 HydrophobicContact CD1-CG2 3.98Å; Y125-I153 HydrophobicContact CE1-CB 3.94Å; Y125-I153 HydrophobicContact CE1-CG2 3.91Å
154H94.1Very high90.2Very high83 Ų8379.2 Ų79.238%0.38441%0.407SS..EExtended strand (participates in β ladder)trans-103.8109.7176.8-71.881.4000109.5E122E122-H154 VanDerWaalsContact CD-NE2 3.33Å; E122-H154 IonicContact OE1-CD2 3.94Å; E122-H154 IonicContact OE1-CE1 3.74Å; E122-H154 IonicContact OE1-NE2 2.8Å; E122-H154 PolarHBondContact OE1-NE2 3.14Å
155V93.7Very high90.3Very high11 Ų1178.4 Ų78.47%0.06740%0.402CS..EExtended strand (participates in β ladder)trans-93.7108.1175.5-179.10000108.5R77 T79 L118 E120 G121R77-V155 HydrophobicContact CB-CG1 4.33Å; T79-V155 HydrophobicContact CG2-CG2 4.17Å; L118-V155 HydrophobicContact CB-CG2 4.12Å; L118-V155 HydrophobicContact CD1-CG2 4.26Å; E120-V155 CarbonylContact C-O 3.54Å; E120-V155 VanDerWaalsContact CA-O 3.3Å; E120-V155 WeakPolarHBondContact CA-O 3.44Å; G121-V155 PolarHBondContact N-O 3.04Å; G121-V155 PolarHBondContact O-N 3.3Å
156K90.3Very high90.5Very high111 Ų11173.7 Ų73.748%0.48338%0.383SS..  trans-104.5168.6-179.1-52.2165.8-174.9160.30111.4S158 D159K156-S158 VanDerWaalsContact C-N 3.33Å; K156-S158 WeakPolarHBondContact CB-OG 3.27Å; K156-D159 WeakPolarHBondContact CA-OD2 3.24Å; K156-D159 VanDerWaalsContact CB-OD2 3.27Å; K156-D159 WeakPolarHBondContact CB-OD2 3.48Å; K156-D159 PolarHBondContact N-OD2 3.04Å
157K87.7Confident90.7Very high140 Ų14072.4 Ų72.461%0.60937%0.371SS*.SBendtrans-64.3-38174-69.5-167.3173.4-171.90113.2R77 E120 D159R77-K157 PolarHBondContact NH1-O 2.81Å; E120-K157 VanDerWaalsContact CD-CE 3.47Å; E120-K157 VanDerWaalsContact CD-CG 3.41Å; E120-K157 HydrophobicContact CG-CG 4.4Å; E120-K157 WeakPolarHBondContact OE1-CE 3.4Å; E120-K157 WeakPolarHBondContact OE1-CG 3.3Å; E120-K157 WeakPolarHBondContact OE2-CE 3.36Å; E120-K157 WeakPolarHBondContact OE2-CG 3.33Å; E120-K157 IonicContact OE2-NZ 3.95Å; K157-D159 VanDerWaalsContact C-N 3.32Å; K157-D159 PolarHBondContact O-N 3Å
158S85.9Confident90.6Very high20 Ų2072.5 Ų72.514%0.1436%0.359CS..G310 helixtrans-62.2-33.7-177.140.80000114K156 F160 E161 A165 L168K156-S158 VanDerWaalsContact C-N 3.33Å; K156-S158 WeakPolarHBondContact CB-OG 3.27Å; S158-F160 PolarHBondContact O-N 3.01Å; S158-E161 PolarHBondContact O-N 3.49Å; S158-A165 PolarHBondContact O-N 3.03Å; S158-L168 VanDerWaalsContact CB-CD1 3.41Å; S158-L168 VanDerWaalsContact OG-CD1 3.24Å; S158-L168 WeakPolarHBondContact OG-CD1 3.17Å
159D85.8Confident90.3Very high75 Ų7573.9 Ų73.940%0.40136%0.363SS..G310 helixtrans-74.4-0.2-164.6-43-20.6000112.5K156 K157K156-D159 WeakPolarHBondContact CA-OD2 3.24Å; K156-D159 VanDerWaalsContact CB-OD2 3.27Å; K156-D159 WeakPolarHBondContact CB-OD2 3.48Å; K156-D159 PolarHBondContact N-OD2 3.04Å; K157-D159 VanDerWaalsContact C-N 3.32Å; K157-D159 PolarHBondContact O-N 3Å
160F83.8Confident89.9Confident104 Ų10474 Ų7446%0.45637%0.371SS..G310 helixtrans-118-27.5-173-136.7-89.5000112.4R77 P78 S158R77-F160 HydrophobicContact CB-CD2 3.89Å; R77-F160 HydrophobicContact CB-CE2 3.71Å; R77-F160 HydrophobicContact CG-CD2 4.07Å; R77-F160 HydrophobicContact CG-CE2 4.19Å; P78-F160 HydrophobicContact CG-CE2 3.83Å; P78-F160 HydrophobicContact CG-CZ 3.58Å; S158-F160 PolarHBondContact O-N 3.01Å
161E89.6Confident89.2Confident120 Ų12078.4 Ų78.456%0.56139%0.392SS*.SBendtrans-87.6106.9169.1-74-59.8156.500108.1S158 F163 D164 A165S158-E161 PolarHBondContact O-N 3.49Å; E161-F163 PolarHBondContact O-N 3.29Å; E161-D164 HydrophobicContact CB-CB 4.12Å; E161-D164 PolarHBondContact O-N 2.93Å; E161-A165 PolarHBondContact O-N 3.14Å
162V89.9Confident88.4Confident98 Ų9886 Ų8659%0.59443%0.428SS*.Hα-helixtrans-52.9-35.7-169.4179.10000112.8L166V162-L166 HydrophobicContact CG1-CD1 3.93Å; V162-L166 HydrophobicContact CG1-CG 4.45Å; V162-L166 WeakPolarHBondContact O-CB 3.21Å; V162-L166 WeakPolarHBondContact O-CD1 3.46Å; V162-L166 WeakPolarHBondContact O-CG 3.37Å; V162-L166 PolarHBondContact O-N 3.15Å; V162-L166 VanDerWaalsContact O-N 3.08Å
163F89.1Confident87.1Confident173 Ų17388.8 Ų88.876%0.75945%0.449SS*.Hα-helixtrans-72.1-33.8177.6-63.6-67.4000113.6E161 K167E161-F163 PolarHBondContact O-N 3.29Å; F163-K167 VanDerWaalsContact O-CB 3.25Å; F163-K167 WeakPolarHBondContact O-CB 3.37Å; F163-K167 PolarHBondContact O-N 3.08Å; F163-K167 VanDerWaalsContact O-N 3.15Å
164D89.9Confident85.4Confident83 Ų8388.8 Ų88.844%0.44445%0.452SS..Hα-helixtrans-77.3-40.3177.5-75.3-21.7000111E161 K167 L168E161-D164 HydrophobicContact CB-CB 4.12Å; E161-D164 PolarHBondContact O-N 2.93Å; D164-K167 WeakPolarHBondContact O-CB 3.48Å; D164-K167 PolarHBondContact O-N 2.86Å; D164-L168 WeakPolarHBondContact O-CG 3.45Å; D164-L168 PolarHBondContact O-N 3.2Å
165A89.8Confident83.4Confident19 Ų1993.9 Ų93.916%0.15748%0.476CS..Hα-helixtrans-56.3-56.5171.600000111.3S158 E161 K167 L168 D169S158-A165 PolarHBondContact O-N 3.03Å; E161-A165 PolarHBondContact O-N 3.14Å; A165-K167 PolarHBondContact O-N 2.99Å; A165-K167 VanDerWaalsContact O-N 3.14Å; A165-L168 PolarHBondContact O-N 2.99Å; A165-D169 VanDerWaalsContact O-CG 3.32Å; A165-D169 PolarHBondContact O-N 2.96Å
166L89.7Confident81.5Confident105 Ų105100 Ų10055%0.5551%0.513SS..Hα-helixtrans-58.5-31.3177.7-72.1171.8000113.1V162 S170V162-L166 HydrophobicContact CG1-CD1 3.93Å; V162-L166 HydrophobicContact CG1-CG 4.45Å; V162-L166 WeakPolarHBondContact O-CB 3.21Å; V162-L166 WeakPolarHBondContact O-CD1 3.46Å; V162-L166 WeakPolarHBondContact O-CG 3.37Å; V162-L166 PolarHBondContact O-N 3.15Å; V162-L166 VanDerWaalsContact O-N 3.08Å; L166-S170 VanDerWaalsContact O-CB 3.27Å; L166-S170 WeakPolarHBondContact O-CB 3.45Å; L166-S170 PolarHBondContact O-N 2.95Å; L166-S170 PolarHBondContact O-OG 3.25Å
167K86.8Confident79.5Confident129 Ų12997.7 Ų97.756%0.56151%0.511SS*.Hα-helixtrans-70.3-39.2175.8-175.1-176.8-179.9-172.30111.8F163 D164 A165 S170 M171F163-K167 VanDerWaalsContact O-CB 3.25Å; F163-K167 WeakPolarHBondContact O-CB 3.37Å; F163-K167 PolarHBondContact O-N 3.08Å; F163-K167 VanDerWaalsContact O-N 3.15Å; D164-K167 WeakPolarHBondContact O-CB 3.48Å; D164-K167 PolarHBondContact O-N 2.86Å; A165-K167 PolarHBondContact O-N 2.99Å; A165-K167 VanDerWaalsContact O-N 3.14Å; K167-S170 PolarHBondContact O-OG 3.02Å; K167-M171 HydrophobicContact CG-CE 4.07Å; K167-M171 WeakPolarHBondContact O-CE 2.76Å; K167-M171 PolarHBondContact O-N 2.95Å
168L85.9Confident77.5Confident57 Ų5795.4 Ų95.430%0.29851%0.512SS..Hα-helixtrans-68.8-46.2174.3-68-176.8000111.5S158 D164 A165 S170 M171 E172S158-L168 VanDerWaalsContact CB-CD1 3.41Å; S158-L168 VanDerWaalsContact OG-CD1 3.24Å; S158-L168 WeakPolarHBondContact OG-CD1 3.17Å; D164-L168 WeakPolarHBondContact O-CG 3.45Å; D164-L168 PolarHBondContact O-N 3.2Å; A165-L168 PolarHBondContact O-N 2.99Å; L168-S170 VanDerWaalsContact C-N 3.27Å; L168-S170 PolarHBondContact O-N 3.45Å; L168-M171 HydrophobicContact CD2-CE 3.94Å; L168-M171 HydrophobicContact CD2-SD 3.89Å; L168-M171 WeakPolarHBondContact O-CG 3.29Å; L168-M171 PolarHBondContact O-N 2.71Å; L168-M171 VanDerWaalsContact O-N 3.15Å; L168-E172 PolarHBondContact O-N 2.66Å
169D86.4Confident75.8Confident90 Ų90103.9 Ų103.948%0.48154%0.541SS..Hα-helixtrans-59.9-38.7178.4-60.5-14000111.9A165 E172 S173A165-D169 VanDerWaalsContact O-CG 3.32Å; A165-D169 PolarHBondContact O-N 2.96Å; D169-E172 PolarHBondContact O-N 3.3Å; D169-S173 WeakPolarHBondContact O-CB 3.49Å; D169-S173 PolarHBondContact O-N 3.47Å; D169-S173 PolarHBondContact O-OG 2.83Å
170S86.1Confident74.1Confident73 Ų73106.8 Ų106.851%0.5156%0.556SS.*Hα-helixtrans-70-30.4179650000113.6L166 K167 L168 S174L166-S170 VanDerWaalsContact O-CB 3.27Å; L166-S170 WeakPolarHBondContact O-CB 3.45Å; L166-S170 PolarHBondContact O-N 2.95Å; L166-S170 PolarHBondContact O-OG 3.25Å; K167-S170 PolarHBondContact O-OG 3.02Å; L168-S170 VanDerWaalsContact C-N 3.27Å; L168-S170 PolarHBondContact O-N 3.45Å; S170-S174 WeakPolarHBondContact O-CB 3.3Å
171M81.2Confident72.5Confident98 Ų98110.7 Ų110.748%0.48358%0.581SS.*Hα-helixtrans-80.5-33.3173.864.7177.675.500112.7K167 L168 S174K167-M171 HydrophobicContact CG-CE 4.07Å; K167-M171 WeakPolarHBondContact O-CE 2.76Å; K167-M171 PolarHBondContact O-N 2.95Å; L168-M171 HydrophobicContact CD2-CE 3.94Å; L168-M171 HydrophobicContact CD2-SD 3.89Å; L168-M171 WeakPolarHBondContact O-CG 3.29Å; L168-M171 PolarHBondContact O-N 2.71Å; L168-M171 VanDerWaalsContact O-N 3.15Å; M171-S174 VanDerWaalsContact O-CB 3.29Å; M171-S174 WeakPolarHBondContact O-CB 3.07Å; M171-S174 PolarHBondContact O-N 2.81Å; M171-S174 VanDerWaalsContact O-N 3.12Å; M171-S174 PolarHBondContact O-OG 3.31Å
172E78.8Confident70.7Confident161 Ų161108.2 Ų108.275%0.75258%0.577SS**Hα-helixtrans-68.1-37.9174.6-173.9155.1-144.200111.5L168 D169 S174L168-E172 PolarHBondContact O-N 2.66Å; D169-E172 PolarHBondContact O-N 3.3Å; E172-S174 PolarHBondContact O-N 3.35Å; E172-S174 VanDerWaalsContact O-N 3.14Å
173S70.1Confident69.3Low82 Ų82109.8 Ų109.857%0.57359%0.592SS**THydrogen-bonded Turntrans-66.8-9.5171.6-56.80000114.1D169 E175D169-S173 WeakPolarHBondContact O-CB 3.49Å; D169-S173 PolarHBondContact O-N 3.47Å; D169-S173 PolarHBondContact O-OG 2.83Å; S173-E175 PolarHBondContact O-N 3.18Å
174S59.5Low67.9Low32 Ų32103.6 Ų103.622%0.22457%0.57CS.*Hα-helixtrans-84.9-8.9-16478.30000115.6S170 M171 E172 T176 S177 C178S170-S174 WeakPolarHBondContact O-CB 3.3Å; M171-S174 VanDerWaalsContact O-CB 3.29Å; M171-S174 WeakPolarHBondContact O-CB 3.07Å; M171-S174 PolarHBondContact O-N 2.81Å; M171-S174 VanDerWaalsContact O-N 3.12Å; M171-S174 PolarHBondContact O-OG 3.31Å; E172-S174 PolarHBondContact O-N 3.35Å; E172-S174 VanDerWaalsContact O-N 3.14Å; S174-T176 PolarHBondContact O-N 3.11Å; S174-S177 CarbonylContact O-C 3.54Å; S174-S177 PolarHBondContact O-N 2.64Å; S174-S177 VanDerWaalsContact O-N 3.11Å; S174-C178 VanDerWaalsContact CB-SG 3.6Å; S174-C178 PolarHBondContact O-N 3.26Å
175E51.9Low66.9Low191 Ų191104.5 Ų104.589%0.89358%0.581SS**Hα-helixtrans-58.9-16.5174.3-68.6-151.814600113.9S173S173-E175 PolarHBondContact O-N 3.18Å
176T53Low66Low138 Ų138108.6 Ų108.685%0.84761%0.606SS**Hα-helixtrans-119.7-9.6170.157.40000115.1S174S174-T176 PolarHBondContact O-N 3.11Å
177S48.7Very low65.4Low64 Ų64106.3 Ų106.345%0.44861%0.608SS.*Hα-helixtrans-162.993.8167.5580000114.5S174 R179S174-S177 CarbonylContact O-C 3.54Å; S174-S177 PolarHBondContact O-N 2.64Å; S174-S177 VanDerWaalsContact O-N 3.11Å; S177-R179 PolarHBondContact O-N 3.34Å
178C44.8Very low65.2Low91 Ų91106.3 Ų106.362%0.61562%0.621SS**  trans-64.868.8145.5-66.70000109.8S174 D180S174-C178 VanDerWaalsContact CB-SG 3.6Å; S174-C178 PolarHBondContact O-N 3.26Å; C178-D180 VanDerWaalsContact C-N 3.34Å; C178-D180 PolarHBondContact O-N 3.02Å
179R50.8Low65.1Low198 Ų198113.2 Ų113.275%0.74764%0.644SS**  trans-87.385.3161-81.3178.2172.6-167.1-2.3106.9S177 L181S177-R179 PolarHBondContact O-N 3.34Å; R179-L181 PolarHBondContact O-N 3.48Å
180D49.9Very low65Low136 Ų136112.1 Ų112.173%0.72765%0.654SS**  trans-43.2142.9155.4-77.8-47.3000108.7C178 S182C178-D180 VanDerWaalsContact C-N 3.34Å; C178-D180 PolarHBondContact O-N 3.02Å; D180-S182 PolarHBondContact O-N 2.97Å
181L51.4Low65.1Low187 Ų187118.3 Ų118.398%0.97968%0.675SS**SBendtrans-69.424175-60.8172.5000112.7R179R179-L181 PolarHBondContact O-N 3.48Å
182S50.7Low65.4Low68 Ų68122.6 Ų122.648%0.47669%0.694SS.*  trans-71.1133.8169.5-1730000109.9D180 S184D180-S182 PolarHBondContact O-N 2.97Å; S182-S184 PolarHBondContact O-N 2.76Å; S182-S184 WeakPolarHBondContact OG-CB 3.04Å; S182-S184 PolarHBondContact OG-N 3.34Å
183S59.8Low65.5Low130 Ų130123.7 Ų123.791%0.90970%0.702SS**SBendtrans-71.1-2.7168.354.80000113.3
184S59.4Low66Low43 Ų43126.9 Ų126.930%0.30170%0.702SS.*SBendtrans-87.8145.5175.2-59.80000111S182 Y189S182-S184 PolarHBondContact O-N 2.76Å; S182-S184 WeakPolarHBondContact OG-CB 3.04Å; S182-S184 PolarHBondContact OG-N 3.34Å; S184-Y189 PolarHBondContact OG-OH 3.17Å
185P68.9Low66.9Low103 Ų103129.2 Ų129.267%0.66972%0.724SS**PPolyproline II helixtrans-53.7144.8170.2-24.934.6000111.8
186P72.1Confident67.9Low104 Ų104126.1 Ų126.168%0.67571%0.707SS**SBendtrans-59.7137.5175.9-2434000112.4
187G76.5Confident69Low58 Ų58127.2 Ų127.260%0.59870%0.696SS**SBendtrans107.7172.117700000114.6
188P82.4Confident69.9Low129 Ų129128.4 Ų128.484%0.83870%0.704SS**  trans-71.4150.9177.430.6-35000111.7G190P188-G190 PolarHBondContact O-N 3.15Å
189Y84.4Confident71.1Confident201 Ų201131.2 Ų131.279%0.78871%0.708SS**  trans-66.3113.7170.2-71.4-85.6000110.3S184S184-Y189 PolarHBondContact OG-OH 3.17Å
190G85.2Confident72Confident67 Ų67124.4 Ų124.469%0.69169%0.685SS**  trans-105163.8175.600000113.2P188P188-G190 PolarHBondContact O-N 3.15Å
191Q88.2Confident72.6Confident204 Ų204126.7 Ų126.795%0.95368%0.683SS**  trans-101.9-0.2169.3-67-177.7-14.100112.7
192E86.1Confident73.5Confident187 Ų187126.7 Ų126.787%0.87468%0.676SS**SBendtrans-66.8135.3179.5-61.8-168.3171.600111Y194E192-Y194 PolarHBondContact O-N 3.07Å
193M81.2Confident75Confident185 Ų185130.9 Ų130.991%0.91169%0.685SS**  trans-67.8131.5179.4-166.8174.1-170.100109.8A195M193-A195 PolarHBondContact O-N 3.1Å
194Y81.3Confident76.2Confident148 Ų148129.6 Ų129.658%0.5868%0.677SS**  trans-59.4111-176.8-172.9-99.8000111.9E192 F196 E200E192-Y194 PolarHBondContact O-N 3.07Å; Y194-F196 PolarHBondContact O-N 3.05Å; Y194-F196 VanDerWaalsContact O-N 3.17Å; Y194-E200 PolarHBondContact OH-OE2 3.41Å
195A79.2Confident77.7Confident82 Ų82132.9 Ų132.968%0.67870%0.697SS**  trans-75.4103.7177.400000110M193 R197M193-A195 PolarHBondContact O-N 3.1Å; A195-R197 PolarHBondContact O-N 3.47Å
196F72.9Confident78.9Confident125 Ų125134 Ų13455%0.54870%0.704SS.*  trans-60.8115.3-175.4-162.7-69.2000111.8Y194 E200 R201Y194-F196 PolarHBondContact O-N 3.05Å; Y194-F196 VanDerWaalsContact O-N 3.17Å; F196-E200 HydrophobicContact CE1-CB 3.95Å; F196-E200 HydrophobicContact CZ-CB 4.03Å; F196-R201 HydrophobicContact CD1-CG 3.85Å; F196-R201 VanDerWaalsContact CE1-CA 3.43Å; F196-R201 HydrophobicContact CE1-CB 3.98Å; F196-R201 HydrophobicContact CE1-CG 3.34Å; F196-R201 VanDerWaalsContact CE1-N 3.35Å; F196-R201 HydrophobicContact CZ-CG 4.24Å
197R74.9Confident80Confident161 Ų161136.8 Ų136.861%0.60871%0.712SS**  trans-78.5142.5179.5-66.4-172.7179.9-164.51.8112.1A195 E199 E200A195-R197 PolarHBondContact O-N 3.47Å; R197-E199 PolarHBondContact O-N 3.14Å; R197-E200 HydrophobicContact CB-CG 4.37Å; R197-E200 PolarHBondContact O-N 3.33Å
198S68.8Low81Confident89 Ų89139 Ų13962%0.62271%0.71SS**G310 helixtrans-57.9-34.3-179.1-61.20000113.4E200 R201S198-E200 PolarHBondContact O-N 2.96Å; S198-R201 PolarHBondContact O-N 3.25Å
199E69.6Low81.6Confident150 Ų150135.8 Ų135.870%0.70169%0.689SS**G310 helixtrans-65.8-20.8177.1-62.9108.3-154.700113.8R197R197-E199 PolarHBondContact O-N 3.14Å
200E69.1Low82.2Confident56 Ų56130.4 Ų130.426%0.26268%0.678SS.*G310 helixtrans-93.9-7-175.8-62.5-173.6151.600113.1Y194 F196 R197 S198 F202 K203Y194-E200 PolarHBondContact OH-OE2 3.41Å; F196-E200 HydrophobicContact CE1-CB 3.95Å; F196-E200 HydrophobicContact CZ-CB 4.03Å; R197-E200 HydrophobicContact CB-CG 4.37Å; R197-E200 PolarHBondContact O-N 3.33Å; S198-E200 PolarHBondContact O-N 2.96Å; E200-F202 PolarHBondContact O-N 3.24Å; E200-K203 PolarHBondContact O-N 3.38Å
201R63.1Low82.8Confident183 Ų183131.2 Ų131.269%0.69166%0.664SS**THydrogen-bonded Turntrans-60.6-17.6-171.8-85.4-165.7174.4175.60.7114.3F196 S198F196-R201 HydrophobicContact CD1-CG 3.85Å; F196-R201 VanDerWaalsContact CE1-CA 3.43Å; F196-R201 HydrophobicContact CE1-CB 3.98Å; F196-R201 HydrophobicContact CE1-CG 3.34Å; F196-R201 VanDerWaalsContact CE1-N 3.35Å; F196-R201 HydrophobicContact CZ-CG 4.24Å; S198-R201 PolarHBondContact O-N 3.25Å
202F68.8Low83.2Confident188 Ų188122.9 Ų122.983%0.82563%0.625SS**THydrogen-bonded Turntrans-110.34.6-174.2-52.3-73.3000113.1E200 S204E200-F202 PolarHBondContact O-N 3.24Å; F202-S204 PolarHBondContact O-N 3.25Å
203K82.6Confident83.6Confident155 Ų155119.7 Ų119.767%0.67461%0.614SS**  trans-86.3105.2173.5-64.3-178-176.3172.80109.6E200E200-K203 PolarHBondContact O-N 3.38Å
204S86.5Confident84.2Confident104 Ų104115.6 Ų115.673%0.72759%0.593SS**PPolyproline II helixtrans-62.9147.1168.956.20000110.8F202F202-S204 PolarHBondContact O-N 3.25Å
205P90.4Very high84.8Confident112 Ų112110.1 Ų110.173%0.72757%0.574SS**PPolyproline II helixtrans-59.2151.9172.326.9-35.1000111
206P93.1Very high85.6Confident126 Ų126106.4 Ų106.482%0.81854%0.543SS*.PPolyproline II helixtrans-62.9145.2178.227.1-34.7000111.2
207I96.4Very high86.6Confident162 Ų162103.6 Ų103.683%0.83153%0.533SS*.PPolyproline II helixtrans-65.7135.3176.7-58.5171.6000109.1P209I207-P209 WeakPolarHBondContact O-CD 2.99Å
208L95.9Very high87.6Confident106 Ų106101.5 Ų101.556%0.55553%0.534SS*.PPolyproline II helixtrans-57.4121.5177.7179.466.9000110.9L212 L213L208-L212 HydrophobicContact CD1-CB 4.44Å; L208-L212 HydrophobicContact CD1-CD1 4.01Å; L208-L213 HydrophobicContact CD2-CD2 3.79Å; L208-L213 HydrophobicContact CD2-CG 4.36Å
209P96.8Very high88.7Confident61 Ų61101.7 Ų101.740%0.39652%0.524SS..PPolyproline II helixtrans-62.7127176.7-24.635.4000111.3I207 H211 L212I207-P209 WeakPolarHBondContact O-CD 2.99Å; P209-H211 PolarHBondContact O-N 3.32Å; P209-L212 PolarHBondContact O-N 3.15Å
210P96.9Very high89.7Confident87 Ų87102.6 Ų102.657%0.56553%0.534SS*.G310 helixtrans-64.5-18.8-173.425.2-35.1000113.6L212 L213P210-L212 PolarHBondContact O-N 3.18Å; P210-L213 WeakPolarHBondContact O-CB 3.47Å; P210-L213 PolarHBondContact O-N 3.17Å; P210-L213 VanDerWaalsContact O-N 3.14Å
211H96.5Very high90.8Very high84 Ų84103 Ų10339%0.38954%0.54SS..G310 helixtrans-57.2-33.6172.5-61.8104.6000113.1P209 L213 Q214 V236P209-H211 PolarHBondContact O-N 3.32Å; H211-L213 PolarHBondContact O-N 3.18Å; H211-Q214 PolarHBondContact O-N 3.2Å; H211-V236 HydrophobicContact CB-CG1 4.46Å
212L96.4Very high92Very high29 Ų2999.1 Ų99.115%0.15253%0.533CS..G310 helixtrans-72.5-16.6-179.7-60.8-176.9000112.9L208 P209 P210 Q214 M237 H240 Y242L208-L212 HydrophobicContact CD1-CB 4.44Å; L208-L212 HydrophobicContact CD1-CD1 4.01Å; P209-L212 PolarHBondContact O-N 3.15Å; P210-L212 PolarHBondContact O-N 3.18Å; L212-Q214 VanDerWaalsContact C-N 3.31Å; L212-M237 HydrophobicContact CD2-CB 4.46Å; L212-H240 HydrophobicContact CD2-CB 4.44Å; L212-Y242 VanDerWaalsContact O-CE1 3.3Å; L212-Y242 WeakPolarHBondContact O-CE1 3.49Å; L212-Y242 PolarHBondContact O-OH 3.39Å
213L95.8Very high93Very high121 Ų12198.6 Ų98.663%0.63454%0.537SS*.G310 helixtrans-78.8-13.1175.2-57.7175000112.9L208 P210 H211 V215L208-L213 HydrophobicContact CD2-CD2 3.79Å; L208-L213 HydrophobicContact CD2-CG 4.36Å; P210-L213 WeakPolarHBondContact O-CB 3.47Å; P210-L213 PolarHBondContact O-N 3.17Å; P210-L213 VanDerWaalsContact O-N 3.14Å; H211-L213 PolarHBondContact O-N 3.18Å; L213-V215 VanDerWaalsContact C-N 3.27Å; L213-V215 PolarHBondContact O-N 3.25Å
214Q93.3Very high93.5Very high99 Ų9996 Ų9646%0.46354%0.538SS..  trans-8557-176.2-59.9-171.26.300112.9H211 L212 I216 M237H211-Q214 PolarHBondContact O-N 3.2Å; L212-Q214 VanDerWaalsContact C-N 3.31Å; Q214-I216 PolarHBondContact O-N 3.37Å; Q214-I216 VanDerWaalsContact O-N 3.17Å; Q214-M237 HydrophobicContact CB-CE 4.5Å; Q214-M237 WeakPolarHBondContact O-CE 3.38Å
215V94.2Very high93.8Very high32 Ų3293.6 Ų93.619%0.19452%0.521CS..  trans-50.1119.1-175.6-1710000111.8L213 L217 N218 Y242L213-V215 VanDerWaalsContact C-N 3.27Å; L213-V215 PolarHBondContact O-N 3.25Å; V215-L217 VanDerWaalsContact C-N 3.33Å; V215-L217 HydrophobicContact CG1-CB 4.42Å; V215-L217 PolarHBondContact O-N 3.19Å; V215-N218 HydrophobicContact CB-CB 4.09Å; V215-N218 HydrophobicContact CG1-CB 4.4Å; V215-N218 PolarHBondContact O-N 3.39Å; V215-Y242 HydrophobicContact CB-CD1 4.46Å; V215-Y242 HydrophobicContact CB-CE1 4.42Å; V215-Y242 HydrophobicContact CG1-CD1 4.07Å; V215-Y242 HydrophobicContact CG1-CE1 4.45Å; V215-Y242 HydrophobicContact CG1-CG 4.43Å; V215-Y242 HydrophobicContact CG2-CD1 3.84Å; V215-Y242 HydrophobicContact CG2-CE1 3.78Å
216I95.2Very high94Very high5 Ų592.6 Ų92.63%0.02651%0.509CS..G310 helixtrans-63.7-35.6-176.7-173.5165.6000113.3Q214 N218 K219 L230 P231 P233 M237 T265Q214-I216 PolarHBondContact O-N 3.37Å; Q214-I216 VanDerWaalsContact O-N 3.17Å; I216-N218 PolarHBondContact O-N 3.1Å; I216-K219 PolarHBondContact O-N 3.48Å; I216-L230 HydrophobicContact CD1-CB 4.04Å; I216-L230 HydrophobicContact CD1-CD1 4.46Å; I216-L230 HydrophobicContact CG1-CB 4.33Å; I216-P231 HydrophobicContact CD1-CG 4.38Å; I216-P231 VanDerWaalsContact CD1-O 3.28Å; I216-P231 WeakPolarHBondContact CD1-O 3.25Å; I216-P231 HydrophobicContact CG1-CG 4.13Å; I216-P233 HydrophobicContact CD1-CB 3.99Å; I216-M237 HydrophobicContact CB-CE 4.46Å; I216-M237 HydrophobicContact CB-SD 4.2Å; I216-M237 HydrophobicContact CG2-SD 4.42Å; I216-T265 HydrophobicContact CG2-CG2 4.48Å
217L95.2Very high94Very high65 Ų6592.4 Ų92.434%0.3451%0.508SS..G310 helixtrans-73.8-12178.9-63.4176.2000113.7V215 L230 T265 L267V215-L217 VanDerWaalsContact C-N 3.33Å; V215-L217 HydrophobicContact CG1-CB 4.42Å; V215-L217 PolarHBondContact O-N 3.19Å; L217-L230 HydrophobicContact CD2-CD1 3.85Å; L217-L230 HydrophobicContact CD2-CD2 4.25Å; L217-T265 HydrophobicContact CD1-CG2 4.03Å; L217-T265 HydrophobicContact CD2-CG2 3.93Å; L217-T265 HydrophobicContact CG-CG2 4.07Å; L217-L267 HydrophobicContact CD1-CD1 3.96Å; L217-L267 HydrophobicContact CD1-CD2 4.36Å; L217-L267 HydrophobicContact CD1-CG 4.22Å; L217-L267 HydrophobicContact CD2-CD1 4.34Å
218N94.8Very high93.9Very high117 Ų11788.7 Ų88.763%0.62650%0.501SS*.G310 helixtrans-96.28.2176.1-62.94.7000112.1V215 I216V215-N218 HydrophobicContact CB-CB 4.09Å; V215-N218 HydrophobicContact CG1-CB 4.4Å; V215-N218 PolarHBondContact O-N 3.39Å; I216-N218 PolarHBondContact O-N 3.1Å
219K92Very high93.9Very high94 Ų9488.4 Ų88.441%0.40950%0.5SS..SBendtrans-98.5124.6177.4-63.8-177.7-179.7-177.40109.4I216 T221 P231I216-K219 PolarHBondContact O-N 3.48Å; K219-T221 PolarHBondContact O-N 2.92Å; K219-P231 HydrophobicContact CD-CG 4.37Å
220D91.4Very high93.9Very high169 Ų16988.8 Ų88.890%0.90450%0.498SS*.PPolyproline II helixtrans-62.5133.5172.7-60.4-56.2000110.8
221T90.7Very high93.8Very high64 Ų6487.3 Ų87.339%0.39349%0.488SS..PPolyproline II helixtrans-95.7160.1171.154.80000110.2K219 I223K219-T221 PolarHBondContact O-N 2.92Å; T221-I223 PolarHBondContact O-N 3.46Å
222N88.9Confident93.8Very high102 Ų10290.4 Ų90.455%0.54550%0.503SS..PPolyproline II helixtrans-71.4129.2179-173.1-18000109.7S224 C225N222-S224 PolarHBondContact ND2-OG 3.42Å; N222-S224 PolarHBondContact O-N 2.94Å; N222-S224 PolarHBondContact OD1-N 2.87Å; N222-S224 VanDerWaalsContact OD1-N 3.14Å; N222-S224 PolarHBondContact OD1-OG 3.1Å; N222-C225 PolarHBondContact O-N 3.33Å; N222-C225 PolarHBondContact O-SG 3.13Å
223I90.3Very high93.8Very high177 Ų17789.6 Ų89.691%0.90850%0.499SS*.THydrogen-bonded Turntrans-51.4-16.6175.154.1165.8000115T221T221-I223 PolarHBondContact O-N 3.46Å
224S92.8Very high93.8Very high101 Ų10186.4 Ų86.471%0.70648%0.483SS*.THydrogen-bonded Turntrans-86.1-6.4176.373.60000115.3N222N222-S224 PolarHBondContact ND2-OG 3.42Å; N222-S224 PolarHBondContact O-N 2.94Å; N222-S224 PolarHBondContact OD1-N 2.87Å; N222-S224 VanDerWaalsContact OD1-N 3.14Å; N222-S224 PolarHBondContact OD1-OG 3.1Å
225C91.9Very high94Very high52 Ų5288 Ų8835%0.35149%0.491SS..SBendtrans-105.3163.5178.269.40000112.8N222N222-C225 PolarHBondContact O-N 3.33Å; N222-C225 PolarHBondContact O-SG 3.13Å
226D94.9Very high94.2Very high92 Ų9289.1 Ų89.149%0.49250%0.497SS..  trans-57.9127.7174.6175.5-10.7000110.5A228 L229D226-A228 PolarHBondContact O-N 3.39Å; D226-A228 VanDerWaalsContact O-N 3.11Å; D226-A228 WeakPolarHBondContact OD1-CB 3.4Å; D226-A228 PolarHBondContact OD1-N 3.09Å; D226-L229 HydrophobicContact CB-CD1 3.88Å; D226-L229 HydrophobicContact CB-CG 3.95Å; D226-L229 WeakPolarHBondContact O-CB 3.43Å; D226-L229 PolarHBondContact O-N 3.27Å
227P93.8Very high94.2Very high122 Ų12289 Ų8979%0.79250%0.496SS*.THydrogen-bonded Turntrans-56.8-21178.4-26.635.4000115.6L229P227-L229 VanDerWaalsContact C-N 3.31Å
228A94.7Very high94.3Very high83 Ų8386.5 Ų86.569%0.68648%0.483SS*.THydrogen-bonded Turntrans-80-10175.800000113.6D226D226-A228 PolarHBondContact O-N 3.39Å; D226-A228 VanDerWaalsContact O-N 3.11Å; D226-A228 WeakPolarHBondContact OD1-CB 3.4Å; D226-A228 PolarHBondContact OD1-N 3.09Å
229L95.6Very high94.4Very high100 Ų10086.5 Ų86.552%0.52448%0.483SS..  trans-86.8130.1179.1-64.1176.4000111.5D226 P227D226-L229 HydrophobicContact CB-CD1 3.88Å; D226-L229 HydrophobicContact CB-CG 3.95Å; D226-L229 WeakPolarHBondContact O-CB 3.43Å; D226-L229 PolarHBondContact O-N 3.27Å; P227-L229 VanDerWaalsContact C-N 3.31Å
230L95.9Very high94.7Very high70 Ų7085.9 Ų85.937%0.36648%0.482SS..  trans-111.9154.5173.4-64.7176.1000110.2I216 L217 T265I216-L230 HydrophobicContact CD1-CB 4.04Å; I216-L230 HydrophobicContact CD1-CD1 4.46Å; I216-L230 HydrophobicContact CG1-CB 4.33Å; L217-L230 HydrophobicContact CD2-CD1 3.85Å; L217-L230 HydrophobicContact CD2-CD2 4.25Å; L230-T265 HydrophobicContact CD1-CG2 4.35Å; L230-T265 WeakPolarHBondContact CD1-OG1 3.37Å
231P95.2Very high95Very high55 Ų5583.6 Ų83.636%0.35747%0.469SS..PPolyproline II helixtrans-63.7165.4173.228.6-36000111.7I216 K219 P233I216-P231 HydrophobicContact CD1-CG 4.38Å; I216-P231 VanDerWaalsContact CD1-O 3.28Å; I216-P231 WeakPolarHBondContact CD1-O 3.25Å; I216-P231 HydrophobicContact CG1-CG 4.13Å; K219-P231 HydrophobicContact CD-CG 4.37Å; P231-P233 WeakPolarHBondContact O-CD 3.28Å
232E95.9Very high95.3Very high149 Ų14982.1 Ų82.170%0.69646%0.456SS*.PPolyproline II helixtrans-64.9124.7177.4-174.5164.2-165.300111.3Y263E232-Y263 HydrophobicContact CG-CD2 4.4Å; E232-Y263 HydrophobicContact CG-CE2 3.8Å; E232-Y263 WeakPolarHBondContact OE1-CE2 3.49Å; E232-Y263 PolarHBondContact OE1-OH 3.13Å
233P97Very high95.7Very high12 Ų1280.4 Ų80.48%0.07846%0.457CS..PPolyproline II helixtrans-74.4150.6176.830.4-35.7000111.6I216 P231 M237 L238 T256 Y263I216-P233 HydrophobicContact CD1-CB 3.99Å; P231-P233 WeakPolarHBondContact O-CD 3.28Å; P233-M237 HydrophobicContact CB-CG 4.14Å; P233-M237 HydrophobicContact CB-SD 3.65Å; P233-L238 HydrophobicContact CB-CD2 4.12Å; P233-L238 HydrophobicContact CG-CD2 3.9Å; P233-T256 HydrophobicContact CB-CG2 4.25Å; P233-T256 HydrophobicContact CG-CG2 4.05Å; P233-Y263 HydrophobicContact CG-CD1 3.76Å; P233-Y263 HydrophobicContact CG-CD2 3.85Å; P233-Y263 HydrophobicContact CG-CE1 4.27Å; P233-Y263 HydrophobicContact CG-CE2 4.33Å; P233-Y263 HydrophobicContact CG-CG 3.51Å
234N96.9Very high96Very high55 Ų5577.2 Ų77.229%0.29444%0.441SS..PPolyproline II helixtrans-68.8136.2167-173.4-32.7000109.2V236 M237N234-V236 PolarHBondContact O-N 3.39Å; N234-V236 PolarHBondContact OD1-N 3.34Å; N234-V236 VanDerWaalsContact OD1-N 3.1Å; N234-M237 HydrophobicContact CB-CG 4.43Å; N234-M237 WeakPolarHBondContact O-CG 3.41Å; N234-M237 PolarHBondContact O-N 3.09Å
235H97.1Very high96.1Very high133 Ų13378 Ų7862%0.61645%0.446SS*.G310 helixtrans-55.9-26.9-18070.8-88000113.8L238H235-L238 HydrophobicContact CB-CD1 4.41Å; H235-L238 WeakPolarHBondContact O-CB 3.41Å; H235-L238 WeakPolarHBondContact O-CG 3.43Å; H235-L238 PolarHBondContact O-N 3.2Å
236V97.2Very high96.3Very high54 Ų5480.3 Ų80.333%0.32745%0.454SS..G310 helixtrans-71.3-26.4179.2-177.70000113.3H211 N234 L238 H240H211-V236 HydrophobicContact CB-CG1 4.46Å; N234-V236 PolarHBondContact O-N 3.39Å; N234-V236 PolarHBondContact OD1-N 3.34Å; N234-V236 VanDerWaalsContact OD1-N 3.1Å; V236-L238 VanDerWaalsContact C-N 3.33Å; V236-H240 PolarHBondContact O-CD2 2.98Å; V236-H240 PolarHBondContact O-NE2 2.76Å
237M96.4Very high96.2Very high3 Ų382.8 Ų82.82%0.01546%0.461CS..G310 helixtrans-85.8-4.8178.462.2153.463.300113.7L212 Q214 I216 P233 N234 H240L212-M237 HydrophobicContact CD2-CB 4.46Å; Q214-M237 HydrophobicContact CB-CE 4.5Å; Q214-M237 WeakPolarHBondContact O-CE 3.38Å; I216-M237 HydrophobicContact CB-CE 4.46Å; I216-M237 HydrophobicContact CB-SD 4.2Å; I216-M237 HydrophobicContact CG2-SD 4.42Å; P233-M237 HydrophobicContact CB-CG 4.14Å; P233-M237 HydrophobicContact CB-SD 3.65Å; N234-M237 HydrophobicContact CB-CG 4.43Å; N234-M237 WeakPolarHBondContact O-CG 3.41Å; N234-M237 PolarHBondContact O-N 3.09Å; M237-H240 PolarHBondContact O-N 3.45Å
238L96.8Very high96.2Very high12 Ų1283.2 Ų83.26%0.06346%0.456CS..THydrogen-bonded Turntrans-70.1146.4-179-58.9176.4000110.6P233 H235 V236 H240 T256 R258 Y263P233-L238 HydrophobicContact CB-CD2 4.12Å; P233-L238 HydrophobicContact CG-CD2 3.9Å; H235-L238 HydrophobicContact CB-CD1 4.41Å; H235-L238 WeakPolarHBondContact O-CB 3.41Å; H235-L238 WeakPolarHBondContact O-CG 3.43Å; H235-L238 PolarHBondContact O-N 3.2Å; V236-L238 VanDerWaalsContact C-N 3.33Å; L238-H240 PolarHBondContact O-CD2 3.1Å; L238-H240 PolarHBondContact O-N 3.18Å; L238-H240 VanDerWaalsContact O-N 3.1Å; L238-T256 WeakPolarHBondContact CA-O 3.48Å; L238-T256 HydrophobicContact CD2-CG2 3.59Å; L238-R258 HydrophobicContact CD1-CB 4.14Å; L238-Y263 HydrophobicContact CD1-CD1 4.11Å; L238-Y263 HydrophobicContact CD1-CE1 3.87Å; L238-Y263 HydrophobicContact CD2-CD1 3.98Å; L238-Y263 HydrophobicContact CD2-CE1 4.47Å
239N97.1Very high96.2Very high118 Ų11883.4 Ų83.463%0.63145%0.453SS*.THydrogen-bonded Turntrans62.84.3-176.2-40.5-41000115T256 H257N239-T256 PolarHBondContact N-O 3Å; N239-H257 PolarHBondContact OD1-CD2 2.94Å
240H97.6Very high96.3Very high81 Ų8180.9 Ų80.938%0.37544%0.441SS..  trans-82.6138.9169.1-73-90.7000111L212 V236 M237 L238 Y242L212-H240 HydrophobicContact CD2-CB 4.44Å; V236-H240 PolarHBondContact O-CD2 2.98Å; V236-H240 PolarHBondContact O-NE2 2.76Å; M237-H240 PolarHBondContact O-N 3.45Å; L238-H240 PolarHBondContact O-CD2 3.1Å; L238-H240 PolarHBondContact O-N 3.18Å; L238-H240 VanDerWaalsContact O-N 3.1Å; H240-Y242 HydrophobicContact CB-CE2 4.25Å
241L97.8Very high96.3Very high121 Ų12180.6 Ų80.663%0.63444%0.439SS*.EExtended strand (participates in β ladder)trans-84.3126.1177.8-173.371.3000110.6L253L241-L253 HydrophobicContact CD1-CB 4.2Å; L241-L253 HydrophobicContact CD1-CD2 4.45Å; L241-L253 HydrophobicContact CD2-CD2 4.4Å
242Y97.6Very high96.4Very high32 Ų3279 Ų7913%0.12543%0.428CS..EExtended strand (participates in β ladder)trans-113.5132170.2-66.5-83.5000109.2L212 V215 H240 S254L212-Y242 VanDerWaalsContact O-CE1 3.3Å; L212-Y242 WeakPolarHBondContact O-CE1 3.49Å; L212-Y242 PolarHBondContact O-OH 3.39Å; V215-Y242 HydrophobicContact CB-CD1 4.46Å; V215-Y242 HydrophobicContact CB-CE1 4.42Å; V215-Y242 HydrophobicContact CG1-CD1 4.07Å; V215-Y242 HydrophobicContact CG1-CE1 4.45Å; V215-Y242 HydrophobicContact CG1-CG 4.43Å; V215-Y242 HydrophobicContact CG2-CD1 3.84Å; V215-Y242 HydrophobicContact CG2-CE1 3.78Å; H240-Y242 HydrophobicContact CB-CE2 4.25Å; Y242-S254 PolarHBondContact N-O 3.08Å; Y242-S254 PolarHBondContact O-N 2.84Å; Y242-S254 VanDerWaalsContact O-O 3.12Å; Y242-S254 PolarHBondContact O-OG 3.19Å; Y242-S254 VanDerWaalsContact O-OG 3.08Å
243A96.9Very high96.5Very high67 Ų6774 Ų7455%0.55441%0.406SS*.EExtended strand (participates in β ladder)trans-126.5144.9-179.200000110.5V252 L253A243-V252 WeakPolarHBondContact CA-O 3.45Å; A243-L253 HydrophobicContact CB-CD2 3.7Å
244L95.9Very high96.6Very high109 Ų10974.1 Ų74.157%0.57141%0.407SS*.PPolyproline II helixtrans-86.7155.6164.3-65.4175.7000109.8I246 V252L244-I246 PolarHBondContact O-N 3.08Å; L244-V252 HydrophobicContact CB-CB 4.29Å; L244-V252 HydrophobicContact CD1-CB 4.27Å; L244-V252 HydrophobicContact CD1-CG1 4.26Å; L244-V252 PolarHBondContact N-O 3.38Å; L244-V252 VanDerWaalsContact N-O 3.1Å
245S95.9Very high96.6Very high118 Ų11872.2 Ų72.283%0.82540%0.398SS*.PPolyproline II helixtrans-56.7129.8168.4-60.80000110K247S245-K247 PolarHBondContact O-N 2.88Å
246I95.3Very high96.7Very high100 Ų10065.9 Ų65.951%0.51337%0.369SS..PPolyproline II helixtrans-56.9133.9179.3-65.7159.6000109.5L244 M251 I272L244-I246 PolarHBondContact O-N 3.08Å; I246-M251 HydrophobicContact CD1-CE 4.17Å; I246-M251 HydrophobicContact CG1-CB 4.42Å; I246-M251 HydrophobicContact CG1-CG 4.36Å; I246-I272 HydrophobicContact CB-CD1 4.32Å; I246-I272 HydrophobicContact CD1-CD1 3.67Å; I246-I272 HydrophobicContact CG1-CD1 3.9Å; I246-I272 HydrophobicContact CG2-CD1 3.45Å; I246-I272 VanDerWaalsContact CG2-CD1 3.45Å
247K93.8Very high96.7Very high145 Ų14567.6 Ų67.663%0.6337%0.373SS*.BIsolated β-bridgetrans-145.2147.4177.4-157.9-163.5166.8-1550109.7S245 S249 V250S245-K247 PolarHBondContact O-N 2.88Å; K247-S249 PolarHBondContact O-N 2.88Å; K247-S249 VanDerWaalsContact O-N 3.13Å; K247-V250 PolarHBondContact N-O 2.9Å; K247-V250 PolarHBondContact O-N 2.97Å
248D94.1Very high96.8Very high130 Ų13074.8 Ų74.870%0.69540%0.401SS*.THydrogen-bonded Turntrans53.737.8172.4-49.9-39.5000113V250D248-V250 PolarHBondContact O-N 2.83Å
249S94.6Very high96.9Very high88 Ų8881.6 Ų81.662%0.61543%0.426SS*.THydrogen-bonded Turntrans57.920.4-174.4-57.90000116.1K247 P271 I272K247-S249 PolarHBondContact O-N 2.88Å; K247-S249 VanDerWaalsContact O-N 3.13Å; S249-P271 WeakPolarHBondContact O-CA 3.47Å; S249-I272 PolarHBondContact O-N 3.11Å
250V96.7Very high96.8Very high46 Ų4683.8 Ų83.828%0.27943%0.43SS..EExtended strand (participates in β ladder)trans-116129.4176.1-178.60000110.8K247 D248 V252 Y269K247-V250 PolarHBondContact N-O 2.9Å; K247-V250 PolarHBondContact O-N 2.97Å; D248-V250 PolarHBondContact O-N 2.83Å; V250-V252 HydrophobicContact CG1-CG2 4.38Å; V250-Y269 HydrophobicContact CG1-CD1 4.08Å
251M96.7Very high96.8Very high65 Ų6589.1 Ų89.132%0.3245%0.452SS..EExtended strand (participates in β ladder)trans-89.1133.2166.9-171-177.1-69.200109.4I246 L253 K270 I272I246-M251 HydrophobicContact CD1-CE 4.17Å; I246-M251 HydrophobicContact CG1-CB 4.42Å; I246-M251 HydrophobicContact CG1-CG 4.36Å; M251-L253 HydrophobicContact CG-CD2 3.99Å; M251-L253 HydrophobicContact CG-CG 4.02Å; M251-L253 HydrophobicContact SD-CD1 3.93Å; M251-L253 HydrophobicContact SD-CD2 3.89Å; M251-L253 HydrophobicContact SD-CG 3.93Å; M251-K270 PolarHBondContact N-O 3.06Å; M251-K270 PolarHBondContact O-N 3.01Å; M251-I272 HydrophobicContact CB-CD1 4.09Å; M251-I272 HydrophobicContact CB-CG1 4.1Å; M251-I272 HydrophobicContact CE-CD1 4.19Å
252V97.7Very high96.8Very high20 Ų2090.7 Ų90.712%0.12145%0.454CS..EExtended strand (participates in β ladder)trans-116.6114.4174.2-168.30000109.2A243 L244 V250 L268 Y269A243-V252 WeakPolarHBondContact CA-O 3.45Å; L244-V252 HydrophobicContact CB-CB 4.29Å; L244-V252 HydrophobicContact CD1-CB 4.27Å; L244-V252 HydrophobicContact CD1-CG1 4.26Å; L244-V252 PolarHBondContact N-O 3.38Å; L244-V252 VanDerWaalsContact N-O 3.1Å; V250-V252 HydrophobicContact CG1-CG2 4.38Å; V252-L268 WeakPolarHBondContact CA-O 3.41Å; V252-Y269 HydrophobicContact CB-CD1 4.43Å; V252-Y269 HydrophobicContact CB-CE1 4.29Å; V252-Y269 HydrophobicContact CG1-CD1 4.18Å; V252-Y269 HydrophobicContact CG1-CD2 4.39Å; V252-Y269 HydrophobicContact CG1-CE1 3.79Å; V252-Y269 HydrophobicContact CG1-CE2 4.02Å; V252-Y269 HydrophobicContact CG1-CG 4.45Å; V252-Y269 HydrophobicContact CG2-CD1 3.55Å; V252-Y269 HydrophobicContact CG2-CE1 3.46Å; V252-Y269 VanDerWaalsContact CG2-CE1 3.46Å; V252-Y269 HydrophobicContact CG2-CG 4.39Å
253L97.7Very high96.9Very high45 Ų4593 Ų9324%0.23646%0.463CS..EExtended strand (participates in β ladder)trans-113.1148.6178.6-61.4-178.2000110L241 A243 M251 L267 L268L241-L253 HydrophobicContact CD1-CB 4.2Å; L241-L253 HydrophobicContact CD1-CD2 4.45Å; L241-L253 HydrophobicContact CD2-CD2 4.4Å; A243-L253 HydrophobicContact CB-CD2 3.7Å; M251-L253 HydrophobicContact CG-CD2 3.99Å; M251-L253 HydrophobicContact CG-CG 4.02Å; M251-L253 HydrophobicContact SD-CD1 3.93Å; M251-L253 HydrophobicContact SD-CD2 3.89Å; M251-L253 HydrophobicContact SD-CG 3.93Å; L253-L267 CarbonylContact O-C 3.55Å; L253-L267 WeakPolarHBondContact O-CA 3.43Å; L253-L268 PolarHBondContact N-O 2.91Å; L253-L268 PolarHBondContact O-N 2.92Å
254S97.9Very high96.9Very high15 Ų1593.6 Ų93.611%0.10546%0.46CS..EExtended strand (participates in β ladder)trans-148.2150.8174.563.50000112.3Y242 T266Y242-S254 PolarHBondContact N-O 3.08Å; Y242-S254 PolarHBondContact O-N 2.84Å; Y242-S254 VanDerWaalsContact O-O 3.12Å; Y242-S254 PolarHBondContact O-OG 3.19Å; Y242-S254 VanDerWaalsContact O-OG 3.08Å; S254-T266 WeakPolarHBondContact CA-O 3.19Å; S254-T266 WeakPolarHBondContact CB-O 3.46Å
255A98.1Very high97Very high14 Ų1489.7 Ų89.712%0.11644%0.44CS..EExtended strand (participates in β ladder)trans-153142.9174.800000110.2T266A255-T266 PolarHBondContact N-O 3.41Å; A255-T266 PolarHBondContact O-N 3.44Å; A255-T266 VanDerWaalsContact O-N 3.08Å
256T98.3Very high97.1Very high1 Ų188 Ų881%0.00643%0.425CS..EExtended strand (participates in β ladder)trans-97.7120.7177.3-49.20000109.7P233 L238 N239 V264 T265P233-T256 HydrophobicContact CB-CG2 4.25Å; P233-T256 HydrophobicContact CG-CG2 4.05Å; L238-T256 WeakPolarHBondContact CA-O 3.48Å; L238-T256 HydrophobicContact CD2-CG2 3.59Å; N239-T256 PolarHBondContact N-O 3Å; T256-V264 WeakPolarHBondContact CA-O 3.39Å; T256-T265 WeakPolarHBondContact CG2-OG1 3.38Å; T256-T265 PolarHBondContact OG1-OG1 3.37Å; T256-T265 VanDerWaalsContact OG1-OG1 3.13Å
257H98.2Very high97.3Very high89 Ų8986.9 Ų86.941%0.41242%0.42SS..EExtended strand (participates in β ladder)trans-115.7149.5-179.6-6495.7000111N239 Y263 V264N239-H257 PolarHBondContact OD1-CD2 2.94Å; H257-Y263 WeakPolarHBondContact O-CA 3.37Å; H257-V264 PolarHBondContact N-O 2.84Å; H257-V264 PolarHBondContact O-N 3.33Å
258R98.2Very high97.5Very high155 Ų15584.6 Ų84.659%0.58541%0.414SS*.EExtended strand (participates in β ladder)trans-98.4120.8174.7-177.8178.766.2-140-0.3110.6L238 K260 K262 Y263L238-R258 HydrophobicContact CD1-CB 4.14Å; R258-K260 WeakPolarHBondContact CG-O 3.43Å; R258-K262 CarbonylContact C-O 3.59Å; R258-K262 WeakPolarHBondContact CA-O 3.45Å; R258-Y263 HydrophobicContact CB-CD1 3.99Å; R258-Y263 HydrophobicContact CB-CE1 4.17Å; R258-Y263 HydrophobicContact CG-CD1 4.08Å; R258-Y263 HydrophobicContact CG-CE1 3.93Å
259Y97.8Very high97.6Very high155 Ų15585.3 Ų85.361%0.60841%0.408SS*.EExtended strand (participates in β ladder)trans-109.1111.6168.5-177.9-97.9000109.7K261 K262Y259-K261 PolarHBondContact O-N 2.79Å; Y259-K262 PolarHBondContact N-O 3.23Å; Y259-K262 PolarHBondContact O-N 2.92Å
260K96.9Very high97.7Very high163 Ų16387.3 Ų87.371%0.70941%0.406SS*.THydrogen-bonded Turntrans52.9-109.9-172.2-58.3177.1179.7175.50111.2R258R258-K260 WeakPolarHBondContact CG-O 3.43Å
261K97.7Very high97.7Very high194 Ų19489.8 Ų89.884%0.84342%0.422SS*.THydrogen-bonded Turntrans-109.824177.4-61.3-173.2177.3-175.80112.8Y259Y259-K261 PolarHBondContact O-N 2.79Å
262K97.7Very high97.4Very high154 Ų15493.7 Ų93.767%0.6744%0.443SS*.EExtended strand (participates in β ladder)trans-127.7155.6179.3-62.6-64.4-177.71800109.9R258 Y259R258-K262 CarbonylContact C-O 3.59Å; R258-K262 WeakPolarHBondContact CA-O 3.45Å; Y259-K262 PolarHBondContact N-O 3.23Å; Y259-K262 PolarHBondContact O-N 2.92Å
263Y98.4Very high97.4Very high81 Ų8197.4 Ų97.432%0.31846%0.459SS..EExtended strand (participates in β ladder)trans-118.3141.3178.4-49.3-77.1000109.3E232 P233 L238 H257 R258E232-Y263 HydrophobicContact CG-CD2 4.4Å; E232-Y263 HydrophobicContact CG-CE2 3.8Å; E232-Y263 WeakPolarHBondContact OE1-CE2 3.49Å; E232-Y263 PolarHBondContact OE1-OH 3.13Å; P233-Y263 HydrophobicContact CG-CD1 3.76Å; P233-Y263 HydrophobicContact CG-CD2 3.85Å; P233-Y263 HydrophobicContact CG-CE1 4.27Å; P233-Y263 HydrophobicContact CG-CE2 4.33Å; P233-Y263 HydrophobicContact CG-CG 3.51Å; L238-Y263 HydrophobicContact CD1-CD1 4.11Å; L238-Y263 HydrophobicContact CD1-CE1 3.87Å; L238-Y263 HydrophobicContact CD2-CD1 3.98Å; L238-Y263 HydrophobicContact CD2-CE1 4.47Å; H257-Y263 WeakPolarHBondContact O-CA 3.37Å; R258-Y263 HydrophobicContact CB-CD1 3.99Å; R258-Y263 HydrophobicContact CB-CE1 4.17Å; R258-Y263 HydrophobicContact CG-CD1 4.08Å; R258-Y263 HydrophobicContact CG-CE1 3.93Å
264V98.1Very high97.4Very high79 Ų79100.2 Ų100.248%0.47947%0.471SS..EExtended strand (participates in β ladder)trans-133.6123.2178.5-177.60000108.1T256 H257T256-V264 WeakPolarHBondContact CA-O 3.39Å; H257-V264 PolarHBondContact N-O 2.84Å; H257-V264 PolarHBondContact O-N 3.33Å
265T98.3Very high97.3Very high27 Ų27104.9 Ų104.917%0.16649%0.491CS..EExtended strand (participates in β ladder)trans-97.7105.5172.6-520000108.4I216 L217 L230 T256 L267I216-T265 HydrophobicContact CG2-CG2 4.48Å; L217-T265 HydrophobicContact CD1-CG2 4.03Å; L217-T265 HydrophobicContact CD2-CG2 3.93Å; L217-T265 HydrophobicContact CG-CG2 4.07Å; L230-T265 HydrophobicContact CD1-CG2 4.35Å; L230-T265 WeakPolarHBondContact CD1-OG1 3.37Å; T256-T265 WeakPolarHBondContact CG2-OG1 3.38Å; T256-T265 PolarHBondContact OG1-OG1 3.37Å; T256-T265 VanDerWaalsContact OG1-OG1 3.13Å; T265-L267 HydrophobicContact CG2-CD1 4.3Å
266T97.9Very high97.3Very high81 Ų81110.2 Ų110.250%0.49751%0.514SS..EExtended strand (participates in β ladder)trans-90.9133.7179.6-52.80000109.2S254 A255S254-T266 WeakPolarHBondContact CA-O 3.19Å; S254-T266 WeakPolarHBondContact CB-O 3.46Å; A255-T266 PolarHBondContact N-O 3.41Å; A255-T266 PolarHBondContact O-N 3.44Å; A255-T266 VanDerWaalsContact O-N 3.08Å
267L98.1Very high97.2Very high77 Ų77117.1 Ų117.140%0.40355%0.545SS..EExtended strand (participates in β ladder)trans-107.6135.7170.5-73.172.8000109.1L217 L253 T265 Y269L217-L267 HydrophobicContact CD1-CD1 3.96Å; L217-L267 HydrophobicContact CD1-CD2 4.36Å; L217-L267 HydrophobicContact CD1-CG 4.22Å; L217-L267 HydrophobicContact CD2-CD1 4.34Å; L253-L267 CarbonylContact O-C 3.55Å; L253-L267 WeakPolarHBondContact O-CA 3.43Å; T265-L267 HydrophobicContact CG2-CD1 4.3Å; L267-Y269 HydrophobicContact CB-CE2 4.17Å; L267-Y269 HydrophobicContact CD2-CE2 4.35Å
268L97.7Very high97.2Very high98 Ų98118.9 Ų118.951%0.51355%0.554SS.*EExtended strand (participates in β ladder)trans-120.8120.8175.4175.964.4000109.3V252 L253V252-L268 WeakPolarHBondContact CA-O 3.41Å; L253-L268 PolarHBondContact N-O 2.91Å; L253-L268 PolarHBondContact O-N 2.92Å
269Y97.6Very high97.1Very high144 Ų144116.4 Ų116.457%0.56555%0.552SS**EExtended strand (participates in β ladder)trans-99.4120.3170.3-69-103.8000108V250 V252 L267V250-Y269 HydrophobicContact CG1-CD1 4.08Å; V252-Y269 HydrophobicContact CB-CD1 4.43Å; V252-Y269 HydrophobicContact CB-CE1 4.29Å; V252-Y269 HydrophobicContact CG1-CD1 4.18Å; V252-Y269 HydrophobicContact CG1-CD2 4.39Å; V252-Y269 HydrophobicContact CG1-CE1 3.79Å; V252-Y269 HydrophobicContact CG1-CE2 4.02Å; V252-Y269 HydrophobicContact CG1-CG 4.45Å; V252-Y269 HydrophobicContact CG2-CD1 3.55Å; V252-Y269 HydrophobicContact CG2-CE1 3.46Å; V252-Y269 VanDerWaalsContact CG2-CE1 3.46Å; V252-Y269 HydrophobicContact CG2-CG 4.39Å; L267-Y269 HydrophobicContact CB-CE2 4.17Å; L267-Y269 HydrophobicContact CD2-CE2 4.35Å
270K97Very high97Very high131 Ų131113.4 Ų113.457%0.5755%0.548SS*.EExtended strand (participates in β ladder)trans-133.1123.3-177.9-175.2178.9173-178.10110.5M251M251-K270 PolarHBondContact N-O 3.06Å; M251-K270 PolarHBondContact O-N 3.01Å
271P95.8Very high97Very high97 Ų97109.3 Ų109.363%0.6353%0.534SS*.EExtended strand (participates in β ladder)trans-60.3149.9169.2-22.334.1000112.1S249S249-P271 WeakPolarHBondContact O-CA 3.47Å
272I90.4Very high97Very high148 Ų148101.5 Ų101.576%0.75951%0.506SS*.  trans-103.10177.5-53.1-179.6000109.8I246 S249 M251I246-I272 HydrophobicContact CB-CD1 4.32Å; I246-I272 HydrophobicContact CD1-CD1 3.67Å; I246-I272 HydrophobicContact CG1-CD1 3.9Å; I246-I272 HydrophobicContact CG2-CD1 3.45Å; I246-I272 VanDerWaalsContact CG2-CD1 3.45Å; S249-I272 PolarHBondContact O-N 3.11Å; M251-I272 HydrophobicContact CB-CD1 4.09Å; M251-I272 HydrophobicContact CB-CG1 4.1Å; M251-I272 HydrophobicContact CE-CD1 4.19Å

Retrieved 272 of 272 residues in 74.3 ms (Link to these results)