A0A5K4F9Y5_SCHMA Loading...

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

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

AlphaFold DB , UniProt , Accession A0A5K4F9Y5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 405 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
1M39Very low39.7Very low253 Ų253174 Ų174100%1.24686%0.861SS**  0810-66177.8170.600106
2G40.6Very low39.5Very low70 Ų70172.8 Ų172.872%0.72285%0.848SS**  81.5123.184.500000109.3
3N39.7Very low39.3Very low168 Ų168168.4 Ų168.490%0.89885%0.845SS**  cis-161.3157.6-6.8-109.1-0.8000106.9
4T44.5Very low39Very low130 Ų130160.8 Ų160.880%0.79883%0.83SS**  trans-70.5166.9-174.2370000117.2
5P40.9Very low39.1Very low116 Ų116161.7 Ų161.775%0.75384%0.837SS**  trans-102.5152.1174.238.4-29.8000113.7
6T44.7Very low39Very low136 Ų136160.1 Ų160.183%0.83484%0.836SS**  trans-156.8121.2166.445.50000114.9
7H38.9Very low39Very low180 Ų180157.9 Ų157.983%0.83384%0.836SS**  trans18.6139.3135.4-89.2-96.4000121.4
8Y39.4Very low38.8Very low225 Ų225152.7 Ų152.788%0.88283%0.826SS**  -175146.3103.562.7-96.2000115.8
9K36.5Very low38.8Very low189 Ų189157.9 Ų157.982%0.82283%0.833SS**  trans-71.1161.6171-91.5166.1165.4168.50113.2
10R38.3Very low38.7Very low252 Ų252158.2 Ų158.295%0.95183%0.834SS**  -174.5142.8118.7-101.7176.8-148.2-1696.9114.2
11R34.4Very low38.7Very low195 Ų195155.5 Ų155.574%0.73683%0.826SS**  trans-102.3168.3172.2-78.2-174.9170.9-167.8-1.5110.7
12F37.5Very low38.5Very low160 Ų160150.6 Ų150.670%0.70281%0.805SS**  trans107119.5138.1-72.6-64.9000121
13S36.8Very low38.5Very low115 Ų115153.1 Ų153.180%0.80481%0.811SS**  72136.1127-63.70000123.4
14G34.7Very low38.4Very low62 Ų62151.7 Ų151.764%0.63981%0.809SS**  trans96.8108.8137.300000116.5
15D40.3Very low38.6Very low174 Ų174150.8 Ų150.893%0.9381%0.805SS**  171.6148.292.7-86.9-21.2000113.8
16V37.6Very low38.5Very low136 Ų136151.1 Ų151.182%0.82481%0.807SS**  trans-79.1143179.31680000110.4
17C39.8Very low38Very low124 Ų124148.4 Ų148.484%0.83881%0.806SS**  157.6129.8117.3-151.20000113.3
18G34.9Very low38Very low64 Ų64146.2 Ų146.266%0.6681%0.805SS**  105.2109.5129.900000120.6
19R38.5Very low37.9Very low252 Ų252140.5 Ų140.595%0.95180%0.798SS**  trans93.9105.2143.5-56.4-172.9-164.8-138.53.1119.9
20L37.1Very low38Very low162 Ų162137.2 Ų137.285%0.84879%0.793SS**  trans-56.7165.8146.6-78168.9000111.2
21P39.4Very low38Very low103 Ų103130.7 Ų130.767%0.66978%0.781SS**  cis-151.5176.53941.8-19.5000119
22N33.2Very low38.3Very low150 Ų150128.3 Ų128.380%0.80278%0.782SS**  trans65.8103151-63.2-11.9000120
23S40.9Very low38.5Very low122 Ų122125.5 Ų125.585%0.85378%0.78SS**  -160.1126.112463.60000111.2
24T37.4Very low38.8Very low139 Ų139125.7 Ų125.785%0.85378%0.778SS**PPolyproline II helixtrans-94.1130.2173.6-49.20000108.2
25P49.1Very low39.1Very low111 Ų111130.9 Ų130.972%0.72179%0.791SS**PPolyproline II helixtrans-93.1151.1163.233.7-26.9000111
26P39.2Very low39.1Very low123 Ų123132.4 Ų132.480%0.79979%0.789SS**PPolyproline II helixtrans-87.2149.9-162.834.5-34.5000114.1
27G34.2Very low39.1Very low78 Ų78135.7 Ų135.780%0.80479%0.792SS**  trans4897.4140.300000119.5
28V38.1Very low38.8Very low135 Ų135141.2 Ų141.282%0.81880%0.795SS**  trans-109.998.4154.4-178.20000108.4V30V28-V30 HydrophobicContact CG1-CG2 4.25Å
29S38.6Very low38.7Very low104 Ų104143.7 Ų143.773%0.72779%0.794SS**  trans-76.5113.4167155.30000108.6T31S29-T31 PolarHBondContact O-N 3.44Å
30V38.5Very low38.5Very low121 Ų121138 Ų13873%0.73379%0.787SS**  trans-90.999.6171.1-177.40000108.3V28 I32V28-V30 HydrophobicContact CG1-CG2 4.25Å; V30-I32 PolarHBondContact O-N 3.2Å
31T38.6Very low38.6Very low114 Ų114137.6 Ų137.670%0.69978%0.78SS**  trans-74109.6169.9-56.20000109S29 P33S29-T31 PolarHBondContact O-N 3.44Å; T31-P33 WeakPolarHBondContact O-CD 3.4Å
32I39.6Very low38.2Very low145 Ų145137 Ų13774%0.74478%0.778SS**PPolyproline II helixtrans-73117.4171.1-58.3172.4000107.6V30V30-I32 PolarHBondContact O-N 3.2Å
33P41.7Very low38.5Very low102 Ų102138.1 Ų138.166%0.66278%0.784SS**PPolyproline II helixtrans-66138.6174.225.3-30.3000109.8T31T31-P33 WeakPolarHBondContact O-CD 3.4Å
34P43Very low38.1Very low118 Ų118137.5 Ų137.577%0.76678%0.775SS**PPolyproline II helixtrans-63.9146-179.926.3-32.4000110.4K36P34-K36 PolarHBondContact O-N 3.16Å
35L41.2Very low37.9Very low172 Ų172137.8 Ų137.890%0.90177%0.771SS**  trans-50.1115.8172.4-93.987.8000109.1K37L35-K37 PolarHBondContact O-N 3.28Å
36K39.8Very low37.2Very low205 Ų205141.1 Ų141.189%0.89178%0.782SS**  trans-58.5105.8167.4-74.8-176.6177.1-179.70107.6P34 R38P34-K36 PolarHBondContact O-N 3.16Å; K36-R38 PolarHBondContact O-N 3.07Å
37K37.9Very low36.8Very low205 Ų205139.8 Ų139.889%0.89178%0.776SS**  trans-51.3112.4163-78.5-178.4175.91790106.9L35 N39L35-K37 PolarHBondContact O-N 3.28Å; K37-N39 PolarHBondContact O-N 3.41Å
38R34.9Very low36.8Very low240 Ų240147.6 Ų147.691%0.90678%0.781SS**  trans-65.5122.8175-166.3172.3177155.5-2107.4K36 T40K36-R38 PolarHBondContact O-N 3.07Å; R38-T40 PolarHBondContact O-N 3.12Å
39N31.5Very low36.6Very low117 Ų117146.2 Ų146.263%0.62678%0.777SS**  trans-53118.3-177.2-151.814.2000110.1K37 H41K37-N39 PolarHBondContact O-N 3.41Å; N39-H41 VanDerWaalsContact C-N 3.3Å; N39-H41 PolarHBondContact ND2-NE2 3.03Å; N39-H41 VanDerWaalsContact ND2-NE2 3.16Å; N39-H41 PolarHBondContact O-N 3.16Å
40T35.4Very low36.6Very low133 Ų133144.5 Ų144.582%0.81677%0.769SS**  trans-72.388.7167.847.90000107.2R38 S42R38-T40 PolarHBondContact O-N 3.12Å; T40-S42 PolarHBondContact O-N 3.16Å
41H38.6Very low36.7Very low152 Ų152144 Ų14470%0.70477%0.768SS**  trans-67.2122.1163.8-78.3-80.3000107.9N39 L43N39-H41 VanDerWaalsContact C-N 3.3Å; N39-H41 PolarHBondContact ND2-NE2 3.03Å; N39-H41 VanDerWaalsContact ND2-NE2 3.16Å; N39-H41 PolarHBondContact O-N 3.16Å; H41-L43 PolarHBondContact O-N 2.78Å
42S30.6Very low36.5Very low90 Ų90142.4 Ų142.463%0.62977%0.767SS**  trans-48.4113.1177.351.70000111.6T40 T44T40-S42 PolarHBondContact O-N 3.16Å; S42-T44 PolarHBondContact O-N 2.87Å
43L39Very low36.3Very low174 Ų174142.7 Ų142.791%0.91177%0.77SS**  trans-87.568.9153.8-81.3166.4000107.4H41H41-L43 PolarHBondContact O-N 2.78Å
44T32.5Very low36.2Very low110 Ų110148 Ų14868%0.67578%0.778SS**  trans-87.9141.9153.746.60000106.5S42S42-T44 PolarHBondContact O-N 2.87Å
45D33.3Very low36.2Very low145 Ų145147.7 Ų147.778%0.77578%0.776SS**SBendtrans73.692.6-167.9-78.4-28000115
46L35.5Very low35.9Very low180 Ų180146.9 Ų146.994%0.94277%0.773SS**  -178.852.2123.5-86.5171.3000107.8
47S31.1Very low35.9Very low96 Ų96144.6 Ų144.667%0.67177%0.77SS**  trans-102.989.9171.925.30000108.3
48R33.2Very low35.8Very low242 Ų242142.8 Ų142.891%0.91377%0.765SS**  trans173.1100.3157.4-101.7159.7-176.5-1090.8109.4
49S33.6Very low35.8Very low106 Ų106139.5 Ų139.574%0.74176%0.762SS**  trans166.48814352.80000110.9
50A38.7Very low35.8Very low67 Ų67139 Ų13955%0.55477%0.768SS**  trans-134.3145.2146.800000106.9
51P40.5Very low35.6Very low110 Ų110138.4 Ų138.471%0.71476%0.763SS**  trans-64.9144.5-172.9-14.428.9000111.4
52A34.4Very low35.5Very low81 Ų81138.2 Ų138.267%0.66977%0.768SS**  trans-65.1158.3159.800000109.3
53D35.8Very low35.6Very low151 Ų151140.8 Ų140.881%0.80778%0.775SS**  trans106.174.3171.8-50.2-23.2000115.1
54Y40.8Very low35.7Very low215 Ų215140.1 Ų140.184%0.84377%0.772SS**  trans-128.5133.6143.6-76.7-78.5000107.9N56Y54-N56 PolarHBondContact O-N 2.89Å
55P42.8Very low35.7Very low111 Ų111142.6 Ų142.672%0.72178%0.781SS**  trans-66.7127.7-178.626.7-30.7000109.8D57P55-D57 PolarHBondContact O-N 2.94Å
56N34.5Very low35.8Very low155 Ų155142.1 Ų142.183%0.82978%0.783SS**  trans-74.3101.9165.7-69.6-43.9000107.5Y54 E58Y54-N56 PolarHBondContact O-N 2.89Å; N56-E58 PolarHBondContact O-N 2.98Å
57D38.9Very low35.5Very low157 Ų157138.7 Ų138.784%0.8477%0.774SS**  trans-86.3101.7161.2-75.1-34.2000108.4P55P55-D57 PolarHBondContact O-N 2.94Å
58E37.1Very low35.9Very low166 Ų166140.9 Ų140.978%0.77678%0.778SS**  trans-66.8142.8166.2-73.2-174.5139.200111.3N56N56-E58 PolarHBondContact O-N 2.98Å
59M33.1Very low36.1Very low172 Ų172135.8 Ų135.885%0.84777%0.769SS**  trans44.4115148.6-68.6-178.5-16800119.8
60S32.8Very low36.1Very low106 Ų106138 Ų13874%0.74177%0.772SS**  -150.4128.2114.349.10000110.6
61V31.9Very low35.9Very low120 Ų120144 Ų14473%0.72779%0.786SS**  trans-82.1119.5170.9-178.50000106
62N35.9Very low36Very low148 Ų148145.9 Ų145.979%0.79179%0.79SS**  trans-126102162.6-75.5-32.5000107.1
63D32.1Very low36.3Very low145 Ų145149.2 Ų149.278%0.77580%0.802SS**  trans-63.3122.4156.5-79.9-44.4000107.6
64D41Very low36.6Very low160 Ų160148.9 Ų148.986%0.85680%0.798SS**  trans-156.2123.4151.2-92.8-35.6000110.6
65N32.3Very low37.1Very low162 Ų162142.7 Ų142.787%0.86679%0.786SS**  trans-62.8130.3-179.6-69.5-68.3000112.3
66V36.6Very low37.7Very low134 Ų134143.3 Ų143.381%0.81278%0.783SS**  trans-145.6115.2144.3-176.30000109.2
67S29.3Very low38.4Very low109 Ų109142.4 Ų142.476%0.76278%0.778SS**  trans-66.4137.2168.159.60000111
68L39.1Very low39Very low142 Ų142140.7 Ų140.774%0.74377%0.765SS**  trans-163.5107.7155.6-102.2154.2000110
69D36.2Very low39.4Very low135 Ų135134.8 Ų134.872%0.72275%0.745SS**  trans57.5108.5138.4-59.8-10.7000122.1
70D33.4Very low40.6Very low152 Ų152129.7 Ų129.781%0.81372%0.723SS**  trans14.8104.1131.1-67.6-30.8000117.8
71K36.2Very low41.2Very low193 Ų193128.1 Ų128.184%0.83971%0.712SS**  trans178.4150.4136.8-96.4154.5-170.6177.80110
72D41Very low41.8Very low150 Ų150128.5 Ų128.580%0.80271%0.707SS**  trans98.431.4163.7-50.9-20.9000120
73T41.3Very low42.5Very low150 Ų150128.3 Ų128.392%0.9270%0.703SS**  trans-90.415.7169.2500000115.3
74I43.2Very low43.3Very low144 Ų144130 Ų13074%0.73870%0.699SS**  trans-104.20.3-170-100.6166.4000116.6
75S50.9Low43.6Very low85 Ų85124.4 Ų124.459%0.59468%0.675SS**Hα-helixtrans-96.8-3.4-16378.80000118.8
76I54.3Low44.1Very low125 Ų125121 Ų12164%0.64167%0.669SS**Hα-helixtrans-100.6-29.4-170-90.3159.7000114.6T80I76-T80 PolarHBondContact O-OG1 3.33Å; I76-T80 VanDerWaalsContact O-OG1 3.13Å
77D50.4Low44.6Very low135 Ų135119.5 Ų119.572%0.72267%0.665SS**Hα-helixtrans-80.9-30.2179.4-58.3-23.9000111S81D77-S81 VanDerWaalsContact O-CB 3.27Å; D77-S81 WeakPolarHBondContact O-CB 3.39Å; D77-S81 PolarHBondContact O-N 3.34Å
78E51.3Low45.1Very low121 Ų121121.2 Ų121.257%0.56567%0.665SS**Hα-helixtrans-68.9-44.3177.5-167.1172.6-166.900111.9T80 S81 M82E78-T80 VanDerWaalsContact C-N 3.32Å; E78-T80 PolarHBondContact O-N 3.38Å; E78-S81 CarbonylContact O-C 3.56Å; E78-S81 WeakPolarHBondContact O-CB 3.5Å; E78-S81 PolarHBondContact O-N 3.19Å; E78-S81 VanDerWaalsContact O-N 3.11Å; E78-M82 HydrophobicContact CG-SD 4.43Å; E78-M82 VanDerWaalsContact O-CG 3.31Å; E78-M82 WeakPolarHBondContact O-CG 3.4Å; E78-M82 PolarHBondContact O-N 2.93Å
79A45.5Very low44.9Very low43 Ų43124.3 Ų124.336%0.35567%0.667SS.*Hα-helixtrans-64.1-36.617800000112.7M83A79-M83 PolarHBondContact O-N 2.78Å
80T57.1Low45.2Very low64 Ų64126 Ų12639%0.39367%0.67SS.*Hα-helixtrans-72.2-33175-53.60000111.4I76 E78 R84I76-T80 PolarHBondContact O-OG1 3.33Å; I76-T80 VanDerWaalsContact O-OG1 3.13Å; E78-T80 VanDerWaalsContact C-N 3.32Å; E78-T80 PolarHBondContact O-N 3.38Å; T80-R84 PolarHBondContact O-N 2.81Å
81S46.2Very low45.4Very low73 Ų73124.9 Ų124.951%0.5167%0.671SS.*Hα-helixtrans-69.8-41.6174.3-1620000112.1D77 E78 M83 R84 A85D77-S81 VanDerWaalsContact O-CB 3.27Å; D77-S81 WeakPolarHBondContact O-CB 3.39Å; D77-S81 PolarHBondContact O-N 3.34Å; E78-S81 CarbonylContact O-C 3.56Å; E78-S81 WeakPolarHBondContact O-CB 3.5Å; E78-S81 PolarHBondContact O-N 3.19Å; E78-S81 VanDerWaalsContact O-N 3.11Å; S81-M83 PolarHBondContact O-N 2.78Å; S81-R84 PolarHBondContact O-N 3.43Å; S81-A85 WeakPolarHBondContact O-CB 3.31Å; S81-A85 PolarHBondContact O-N 2.96Å
82M44.6Very low45.5Very low128 Ų128122.2 Ų122.263%0.63167%0.665SS**Hα-helixtrans-62.7-41.5176.5-71.7178.674.400112.3E78 R84 A85 A86E78-M82 HydrophobicContact CG-SD 4.43Å; E78-M82 VanDerWaalsContact O-CG 3.31Å; E78-M82 WeakPolarHBondContact O-CG 3.4Å; E78-M82 PolarHBondContact O-N 2.93Å; M82-R84 VanDerWaalsContact C-N 3.33Å; M82-R84 PolarHBondContact O-N 3.04Å; M82-A85 PolarHBondContact O-N 2.92Å; M82-A86 PolarHBondContact O-N 2.92Å
83M49.6Very low45.2Very low144 Ų144121 Ų12171%0.70966%0.658SS**Hα-helixtrans-67.4-29.4175.5-78.9-167.7-79.800113.4A79 S81A79-M83 PolarHBondContact O-N 2.78Å; S81-M83 PolarHBondContact O-N 2.78Å
84R49.5Very low44.8Very low180 Ų180120.7 Ų120.768%0.67965%0.649SS**Hα-helixtrans-77-37.6172.4-77.5-171.6-173.7124.9-0.5112.6T80 S81 M82 A86 S87T80-R84 PolarHBondContact O-N 2.81Å; S81-R84 PolarHBondContact O-N 3.43Å; M82-R84 VanDerWaalsContact C-N 3.33Å; M82-R84 PolarHBondContact O-N 3.04Å; R84-A86 VanDerWaalsContact C-N 3.31Å; R84-A86 PolarHBondContact O-N 3.08Å; R84-S87 PolarHBondContact O-N 3.09Å
85A47.1Very low44.5Very low44 Ų44121 Ų12136%0.36465%0.651SS.*Hα-helixtrans-69.5-25.5-178.200000113.5S81 M82S81-A85 WeakPolarHBondContact O-CB 3.31Å; S81-A85 PolarHBondContact O-N 2.96Å; M82-A85 PolarHBondContact O-N 2.92Å
86A44.2Very low43.7Very low89 Ų89122.8 Ų122.874%0.73665%0.654SS**THydrogen-bonded Turntrans-74.8-23.3176.600000113.8M82 R84M82-A86 PolarHBondContact O-N 2.92Å; R84-A86 VanDerWaalsContact C-N 3.31Å; R84-A86 PolarHBondContact O-N 3.08Å
87S45.7Very low42.9Very low104 Ų104121.4 Ų121.473%0.72766%0.661SS**SBendtrans-94.5-4.2-179.1-79.50000114.5R84R84-S87 PolarHBondContact O-N 3.09Å
88L39.8Very low42.1Very low145 Ų145123 Ų12376%0.75966%0.664SS**  trans-137.267.9-176-67.7171.7000110.6
89R36.6Very low41.5Very low206 Ų206124.6 Ų124.678%0.77768%0.676SS**  trans-130.695.3163.1-76.2-168.8178.3-164.7-0.4110.3
90E41.8Very low40.8Very low172 Ų172129.2 Ų129.280%0.80470%0.695SS**  trans-57.7149154.6-61.8-165.1166.300109.6I92E90-I92 PolarHBondContact O-N 2.83Å
91P38Very low39.9Very low128 Ų128134.1 Ų134.183%0.83172%0.718SS**  trans-64.5107.6176.225.9-32.2000110.1N93P91-N93 PolarHBondContact O-N 2.77Å; P91-N93 VanDerWaalsContact O-N 3.09Å
92I38.2Very low39.3Very low136 Ų136137.3 Ų137.370%0.69773%0.729SS**  trans-63.9108.4172.3-63.8172000108.5E90 I94E90-I92 PolarHBondContact O-N 2.83Å; I92-I94 PolarHBondContact O-N 2.92Å
93N34.4Very low39Very low125 Ų125137.7 Ų137.767%0.66873%0.734SS**  trans-65109158.7-89.2-28.6000108P91 I95P91-N93 PolarHBondContact O-N 2.77Å; P91-N93 VanDerWaalsContact O-N 3.09Å; N93-I95 PolarHBondContact O-N 2.88Å
94I33.7Very low38.1Very low143 Ų143137.7 Ų137.773%0.73374%0.737SS**  trans-69.8103.1172.9-61.1172.1000107.8I92I92-I94 PolarHBondContact O-N 2.92Å
95I36.7Very low37.4Very low152 Ų152137.1 Ų137.178%0.77975%0.747SS**  trans-87.2115.6161.3-60.3172.4000105.7N93 A97N93-I95 PolarHBondContact O-N 2.88Å; I95-A97 PolarHBondContact O-N 2.84Å
96N33.2Very low36.6Very low122 Ų122144.4 Ų144.465%0.65277%0.765SS**  trans-65.4111.4170.4-80.4-6.9000108.7
97A37.2Very low36Very low96 Ų96148.7 Ų148.779%0.79378%0.775SS**  trans-80.4126.8157.300000108.1I95I95-A97 PolarHBondContact O-N 2.84Å
98H34.5Very low35.2Very low169 Ų169151.4 Ų151.478%0.78277%0.77SS**  trans-42.2131.4159.9-106.3-107.4000110.4
99D38Very low34.8Very low154 Ų154152.8 Ų152.882%0.82478%0.779SS**  -167.1139.3120.5-92.8-26.1000111.8
100N30.7Very low34.5Very low139 Ų139148.6 Ų148.674%0.74378%0.776SS**  trans-56.9137.6-177.7-70.6-55.2000112.4
101L38.3Very low33.9Very low168 Ų168147.9 Ų147.988%0.8878%0.777SS**  -169.8138.4128.5-102.8139.7000110.5
102D34.7Very low33.6Very low139 Ų139146.9 Ų146.974%0.74377%0.77SS**  trans-54139.5-175.3-60.3-62.1000113.9
103D36.6Very low33.4Very low137 Ų137150.2 Ų150.273%0.73378%0.78SS**  169.9114.5115.7-98.8-38.4000112.1
104N32.3Very low33.3Very low143 Ų143151 Ų15177%0.76578%0.784SS**  trans35.291.5130.5-62.3-50.6000118.7
105N33.6Very low33.1Very low168 Ų168151.9 Ų151.990%0.89879%0.79SS**  -160.4108.4126.9-120-17000113.2
106R29.9Very low32.7Very low198 Ų198153 Ų15375%0.74779%0.794SS**  trans-73126.3169.4-81.5172.1151.9168.9-7.9109.8Y108R106-Y108 HydrophobicContact CB-CD2 4.44Å; R106-Y108 HydrophobicContact CB-CE2 4.25Å; R106-Y108 HydrophobicContact CG-CD2 4.46Å; R106-Y108 HydrophobicContact CG-CE2 3.8Å
107L31.7Very low32.5Very low179 Ų179155.6 Ų155.694%0.93781%0.806SS**  trans-142.8101.5147.3-97.8163.1000108.1
108Y29.4Very low32.2Very low161 Ų161156.2 Ų156.263%0.63180%0.8SS**  trans-77.8137.7174.8-70.2-91.2000109.9R106R106-Y108 HydrophobicContact CB-CD2 4.44Å; R106-Y108 HydrophobicContact CB-CE2 4.25Å; R106-Y108 HydrophobicContact CG-CD2 4.46Å; R106-Y108 HydrophobicContact CG-CE2 3.8Å
109N31Very low31.9Very low174 Ų174153 Ų15393%0.9380%0.796SS**  trans-130.9111.6150.4-91.8-18.3000107.9
110V30.5Very low31.7Very low118 Ų118152 Ų15272%0.71580%0.796SS**  trans-96.2130.1178173.40000107.8
111L30.3Very low31.7Very low157 Ų157152.3 Ų152.382%0.82280%0.803SS**  trans-123.2129.4158.9-71.3177.5000107.5
112P32Very low31.5Very low107 Ų107149.8 Ų149.870%0.69580%0.8SS**  trans-83.7139.5179.232.5-29.8000110.6
113F33.3Very low31.5Very low206 Ų206149 Ų14990%0.90481%0.805SS**  trans-115.8113.9162-95-82.1000108.3
114D32Very low31.4Very low141 Ų141146 Ų14675%0.75481%0.807SS**  trans-70.2151.8167-72.6-45.6000111
115N28.8Very low31.3Very low161 Ų161147.1 Ų147.186%0.86181%0.813SS**  trans72.468.6168.8-61.3-16.5000117.4
116M29.3Very low31.4Very low176 Ų176148 Ų14887%0.86781%0.812SS**  trans-144.2110.7147.9-138.1176.7154.600110.2T118M116-T118 PolarHBondContact O-N 3.46Å
117I29.2Very low31.6Very low176 Ų176148.2 Ų148.290%0.90382%0.818SS**  trans-71.9106.8177.7-60.6171.4000107.6
118T30.6Very low31.6Very low110 Ų110147.1 Ų147.168%0.67581%0.812SS**  trans-132.3118.9161.7-52.60000107.6M116 T120M116-T118 PolarHBondContact O-N 3.46Å; T118-T120 PolarHBondContact O-N 2.88Å
119S28.2Very low31.9Very low100 Ų100145.1 Ų145.170%0.69982%0.819SS**  trans-58.7121.1178.142.70000112.1
120T33.8Very low31.9Very low133 Ų133143.7 Ų143.782%0.81681%0.811SS**  trans-127.3119.6161.552.60000108.3T118T118-T120 PolarHBondContact O-N 2.88Å
121T30.3Very low32Very low146 Ų146147.9 Ų147.990%0.89682%0.82SS**  trans-96.5121.8171.843.80000110.1
122S34.3Very low31.9Very low115 Ų115148 Ų14880%0.80482%0.82SS**  trans-164.899.4148.9179.60000109.9
123S33.7Very low32Very low122 Ų122151.1 Ų151.185%0.85383%0.826SS**  trans50.6102.3142.1174.90000119.6
124G34.7Very low32Very low76 Ų76149.6 Ų149.678%0.78482%0.821SS**  trans174.8108.3158.200000112.6
125N31.6Very low31.8Very low165 Ų165153.4 Ų153.488%0.88283%0.825SS**  trans-52.8133.5178.1-70.2-35000113.1
126E35.8Very low32.1Very low186 Ų186152 Ų15287%0.86983%0.825SS**  175.1158.8118.9-94.3-174.9165.300113.3
127K33.5Very low32.1Very low203 Ų203149 Ų14988%0.88382%0.821SS**  trans-61.6144.1-159.7-66.4157.5175.6173.60116.6
128I31.1Very low32.3Very low156 Ų156146 Ų14680%0.882%0.815SS**  trans-113.9140.4164.4-57.7170.3000109.1
129P35.9Very low32.7Very low120 Ų120145.5 Ų145.578%0.77982%0.823SS**  trans-108.9143.8153.822.5-5000112.8
130N30.9Very low32.8Very low144 Ų144144.4 Ų144.477%0.7783%0.827SS**  trans-60.2149.8-173.9-57.7-50.6000115.4
131F32Very low33Very low206 Ų206143.6 Ų143.690%0.90482%0.824SS**  trans-145.1107.1143-110-84.3000110.4
132L28.3Very low32.9Very low159 Ų159144.7 Ų144.783%0.83282%0.824SS**  trans-86.2133.7161.9-89.4158000107.8
133Q33.9Very low32.8Very low172 Ų172144.9 Ų144.980%0.80482%0.824SS**  trans-151.4144.5150.5-157.885.352.100109.1
134E34.1Very low32.7Very low174 Ų174143.6 Ų143.681%0.81382%0.815SS**  trans-87.3164.5-151.1-56.8-179.4141.400115.6
135R27.9Very low32.8Very low222 Ų222145.5 Ų145.584%0.83881%0.811SS**  trans-69.9171.8164.4-65.7179.5168.4166.5-4.4111
136P34.1Very low32.9Very low132 Ų132144.8 Ų144.886%0.85781%0.808SS**  -150.4170.293.533.5-12.5000116.8
137S29.4Very low33Very low111 Ų111145 Ų14578%0.77681%0.809SS**  trans-82.9157.5-173.5-460000115.7
138S35.1Very low33Very low113 Ų113147 Ų14779%0.7981%0.811SS**  trans-170102155.91670000108.5
139A37.8Very low33.4Very low100 Ų100145.6 Ų145.683%0.82680%0.803SS**  75.1117.186.200000115.9
140G31.6Very low33.1Very low77 Ų77148.5 Ų148.579%0.79481%0.809SS**  trans108.2148.8139.200000119.5
141P37Very low33.3Very low116 Ų116150.8 Ų150.875%0.75381%0.808SS**  trans-131.1172.7-134.839.5-21.5000117.7
142L29.2Very low33.3Very low170 Ų170150.5 Ų150.589%0.8981%0.806SS**  trans55.7128.2145-75.9157.2000123
143C32.2Very low33.6Very low118 Ų118150.9 Ų150.980%0.79780%0.803SS**  trans114.9119135-151.80000119.2
144S31.5Very low33.4Very low96 Ų96147.9 Ų147.967%0.67180%0.802SS**  trans36.2128.9141.3-157.80000118.8
145T35.8Very low33.2Very low116 Ų116146.8 Ų146.871%0.71280%0.797SS**  -176.4154.354.3-33.60000108.7
146D34.7Very low33.4Very low150 Ų150141.6 Ų141.680%0.80279%0.791SS**  trans8.5124.7162.7-80.3-45.3000120.6
147E37.3Very low33.2Very low191 Ų191143.4 Ų143.489%0.89379%0.788SS**  -167.2150.3111.2-103.1-169.5-175.800112.8I149E147-I149 PolarHBondContact O-N 2.75Å
148R34.4Very low33.3Very low245 Ų245143.6 Ų143.693%0.92579%0.785SS**  trans-48.4120.6-172.5-69.4166.5173.9164.3-1.9114.6
149I39.6Very low33.2Very low125 Ų125144.8 Ų144.864%0.64178%0.781SS**  trans-135114.9149.7-58.5-177.8000109.1E147 Y151E147-I149 PolarHBondContact O-N 2.75Å; I149-Y151 HydrophobicContact CB-CD2 4.41Å; I149-Y151 HydrophobicContact CB-CE2 4Å; I149-Y151 HydrophobicContact CG2-CD2 3.92Å; I149-Y151 HydrophobicContact CG2-CE2 3.45Å; I149-Y151 VanDerWaalsContact CG2-CE2 3.45Å; I149-Y151 PolarHBondContact O-N 2.89Å
150M29.2Very low33Very low182 Ų182146.1 Ų146.190%0.89777%0.773SS**  trans-59.6112.1167.8-77.9-176.365.700109.8
151Y33.5Very low33.2Very low191 Ų191149 Ų14975%0.74977%0.77SS**  trans-105.3113.5160-76.4-81.6000109.1I149 H153I149-Y151 HydrophobicContact CB-CD2 4.41Å; I149-Y151 HydrophobicContact CB-CE2 4Å; I149-Y151 HydrophobicContact CG2-CD2 3.92Å; I149-Y151 HydrophobicContact CG2-CE2 3.45Å; I149-Y151 VanDerWaalsContact CG2-CE2 3.45Å; I149-Y151 PolarHBondContact O-N 2.89Å; Y151-H153 PolarHBondContact O-N 3.01Å
152K33.9Very low33Very low200 Ų200149.2 Ų149.287%0.8777%0.765SS**  trans-53.9110.1163.1-85.6179.7171.4178.30108.1S154K152-S154 PolarHBondContact O-N 2.9Å; K152-S154 VanDerWaalsContact O-N 3.16Å
153H32.7Very low33.4Very low167 Ų167146.9 Ų146.977%0.77376%0.758SS**  trans-81.291.2169.3-139.371.5000108Y151 Q155Y151-H153 PolarHBondContact O-N 3.01Å; H153-Q155 PolarHBondContact O-N 2.97Å; H153-Q155 VanDerWaalsContact O-N 3.12Å
154S31.1Very low33.5Very low110 Ų110145.2 Ų145.277%0.76975%0.747SS**  trans-6996.9159.643.60000107.4K152K152-S154 PolarHBondContact O-N 2.9Å; K152-S154 VanDerWaalsContact O-N 3.16Å
155Q29.4Very low33.9Very low151 Ų151151.5 Ų151.571%0.70676%0.757SS**  trans-59.1131.8170.3-75.3-172.2-7.500109.1H153 Q157H153-Q155 PolarHBondContact O-N 2.97Å; H153-Q155 VanDerWaalsContact O-N 3.12Å; Q155-Q157 PolarHBondContact O-N 3.45Å; Q155-Q157 VanDerWaalsContact O-N 3.16Å
156P32.5Very low34.2Very low112 Ų112153.4 Ų153.473%0.72776%0.762SS**  trans-64.1119.2167.5-4.719.3000107.2V158P156-V158 VanDerWaalsContact C-N 3.31Å; P156-V158 PolarHBondContact O-N 2.99Å
157Q29.7Very low34.8Very low170 Ų170157 Ų15779%0.79477%0.765SS**  trans-60.199.2165.2-72.1-76.9-43.800107Q155 I159Q155-Q157 PolarHBondContact O-N 3.45Å; Q155-Q157 VanDerWaalsContact O-N 3.16Å; Q157-I159 VanDerWaalsContact C-N 3.34Å; Q157-I159 PolarHBondContact O-N 3.08Å
158V31.6Very low35.1Very low115 Ų115151.8 Ų151.870%0.69775%0.754SS**  trans-65.7103166.4179.10000105.2P156 L160P156-V158 VanDerWaalsContact C-N 3.31Å; P156-V158 PolarHBondContact O-N 2.99Å; V158-L160 HydrophobicContact CG1-CD1 4.19Å; V158-L160 PolarHBondContact O-N 3.14Å
159I32.7Very low35.7Very low139 Ų139147.9 Ų147.971%0.71374%0.739SS**  trans-63.291.7167.1-60.2174.1000105.4Q157 N161Q157-I159 VanDerWaalsContact C-N 3.34Å; Q157-I159 PolarHBondContact O-N 3.08Å; I159-N161 VanDerWaalsContact C-N 3.28Å; I159-N161 PolarHBondContact O-N 3.44Å
160L34.1Very low36.2Very low128 Ų128147.8 Ų147.867%0.6775%0.745SS**  trans-64.7100.6162.4-11596.1000105.2V158 N162V158-L160 HydrophobicContact CG1-CD1 4.19Å; V158-L160 PolarHBondContact O-N 3.14Å; L160-N162 PolarHBondContact O-N 3.3Å
161N34.7Very low37.2Very low136 Ų136144.6 Ų144.673%0.72773%0.731SS**  trans-61.890156.5-75.7-16.7000105.9I159 V163I159-N161 VanDerWaalsContact C-N 3.28Å; I159-N161 PolarHBondContact O-N 3.44Å; N161-V163 PolarHBondContact O-N 2.87Å
162N33.3Very low37.8Very low122 Ų122140 Ų14065%0.65273%0.725SS**  trans-61.681163.7-84.5-1.4000106.8L160 S164L160-N162 PolarHBondContact O-N 3.3Å; N162-S164 PolarHBondContact O-N 3.34Å
163V37.2Very low38.6Very low121 Ų121135.2 Ų135.273%0.73371%0.712SS**  trans-71.479.2150.6-175.40000104.3N161 R165N161-V163 PolarHBondContact O-N 2.87Å; V163-R165 PolarHBondContact O-N 3.18Å
164S34.3Very low39.6Very low82 Ų82136.8 Ų136.857%0.57371%0.711SS**  trans-51.496158.2-650000105.1N162 D166N162-S164 PolarHBondContact O-N 3.34Å; S164-D166 PolarHBondContact O-N 3.14Å
165R41.1Very low40.6Very low229 Ų229140.6 Ų140.686%0.86471%0.714SS**  trans-61.7103162.3-78.6-177.9174.3163.1-0.7103.7V163 R167V163-R165 PolarHBondContact O-N 3.18Å; R165-R167 PolarHBondContact O-N 3.18Å
166D41.9Very low41.8Very low156 Ų156136.5 Ų136.583%0.83470%0.697SS**  trans-55.183.2169.6-75.2-43000107.5S164 A168S164-D166 PolarHBondContact O-N 3.14Å; D166-A168 PolarHBondContact O-N 3.3Å
167R46.4Very low43Very low225 Ų225137.7 Ų137.785%0.84970%0.701SS**  trans-66.9110.2171.6-168.7175.7-172.4170.71103.8R165 R169R165-R167 PolarHBondContact O-N 3.18Å; R167-R169 PolarHBondContact O-N 3.47Å
168A44Very low44.8Very low82 Ų82132.5 Ų132.568%0.67869%0.694SS**  trans-27.6104.1-173.900000111.4D166 T170D166-A168 PolarHBondContact O-N 3.3Å; A168-T170 VanDerWaalsContact C-N 3.26Å; A168-T170 PolarHBondContact O-N 2.83Å
169R47.3Very low47.1Very low162 Ų162131.4 Ų131.461%0.61168%0.683SS**  trans-63.996.6171.6-162.2-17975.4-148.7-8105.6R167 L171 T173R167-R169 PolarHBondContact O-N 3.47Å; R169-L171 PolarHBondContact NE-O 2.76Å; R169-L171 PolarHBondContact O-N 2.78Å; R169-T173 PolarHBondContact NH1-OG1 3.14Å; R169-T173 PolarHBondContact NH2-OG1 3.44Å
170T49Very low49.8Very low123 Ų123130.7 Ų130.776%0.75568%0.675SS**SBendtrans-73.172.8175.751.50000107.6A168A168-T170 VanDerWaalsContact C-N 3.26Å; A168-T170 PolarHBondContact O-N 2.83Å
171L51Low52.5Low116 Ų116125.1 Ų125.161%0.60765%0.646SS**SBendtrans161.3130.9158.4-84.8152.3000106.5R169 T173R169-L171 PolarHBondContact NE-O 2.76Å; R169-L171 PolarHBondContact O-N 2.78Å; L171-T173 PolarHBondContact O-N 3.18Å; L171-T173 VanDerWaalsContact O-N 3.14Å
172P46.1Very low55.4Low95 Ų95121.8 Ų121.862%0.61763%0.632SS**  trans-58.1123163.224.8-29.5000106.9R174P172-R174 PolarHBondContact O-N 2.88Å
173T50.3Low58.4Low99 Ų99116.7 Ų116.761%0.60761%0.605SS**  trans-65.768.815945.10000107.3R169 L171 K175R169-T173 PolarHBondContact NH1-OG1 3.14Å; R169-T173 PolarHBondContact NH2-OG1 3.44Å; L171-T173 PolarHBondContact O-N 3.18Å; L171-T173 VanDerWaalsContact O-N 3.14Å; T173-K175 PolarHBondContact O-N 2.88Å
174R53.6Low61.2Low199 Ų199115.5 Ų115.575%0.75160%0.598SS**  trans-56.4123.2149.6-88.9-176.5156.8164.1-5.1104.6P172 L176P172-R174 PolarHBondContact O-N 2.88Å; R174-L176 PolarHBondContact O-N 3.3Å
175K52.5Low64.2Low190 Ų190111.8 Ų111.883%0.82657%0.571SS**  trans-43.2109.1173.8-79.8-178.3175.8179.30107.5T173 V177T173-K175 PolarHBondContact O-N 2.88Å; K175-V177 HydrophobicContact CB-CG2 4.39Å; K175-V177 PolarHBondContact O-N 3.42Å
176L54.9Low66.8Low66 Ų66107.3 Ų107.335%0.34655%0.554SS.*  trans-79.334.7-171.6-138.2122.9000110.8R174 G178 L179 L181R174-L176 PolarHBondContact O-N 3.3Å; L176-G178 PolarHBondContact O-N 3.43Å; L176-L179 HydrophobicContact CG-CB 4.42Å; L176-L179 HydrophobicContact CG-CD1 4.32Å; L176-L181 HydrophobicContact CD2-CD1 4.08Å; L176-L181 HydrophobicContact CD2-CD2 3.69Å; L176-L181 HydrophobicContact CD2-CG 4.11Å
177V57.2Low69.3Low136 Ų136101.1 Ų101.182%0.82452%0.519SS*.SBendtrans-9298.7-176.1-173.50000106.7K175K175-V177 HydrophobicContact CB-CG2 4.39Å; K175-V177 PolarHBondContact O-N 3.42Å
178G67.4Low71.5Confident61 Ų6195.4 Ų95.463%0.62951%0.506SS*.SBendtrans106.3-7176.700000115.6L176L176-G178 PolarHBondContact O-N 3.43Å
179L80Confident73.6Confident92 Ų9293.2 Ų93.248%0.48249%0.491SS..  trans-74133.6172.6-64.8178.5000109.9L176 P224L176-L179 HydrophobicContact CG-CB 4.42Å; L176-L179 HydrophobicContact CG-CD1 4.32Å; L179-P224 WeakPolarHBondContact O-CD 3.47Å
180K89.5Confident75.6Confident125 Ų12588.5 Ų88.554%0.54349%0.493SS..  trans-76.7151.4168.2-61.1176.5172.3-174.30109.1D221 C222 K223K180-D221 HydrophobicContact CB-CB 3.67Å; K180-D221 HydrophobicContact CD-CB 4.01Å; K180-D221 HydrophobicContact CG-CB 4.5Å; K180-C222 CarbonylContact C-O 3.51Å; K180-C222 WeakPolarHBondContact CA-O 3.45Å; K180-K223 HydrophobicContact CG-CG 4.21Å
181L92Very high77.6Confident10 Ų1083.4 Ų83.45%0.05246%0.464CS..EExtended strand (participates in β ladder)trans-122.6125.6-168.6-77.6177.7000109.2L176 T183 C222 P224 V259 F264L176-L181 HydrophobicContact CD2-CD1 4.08Å; L176-L181 HydrophobicContact CD2-CD2 3.69Å; L176-L181 HydrophobicContact CD2-CG 4.11Å; L181-T183 PolarHBondContact O-N 2.98Å; L181-T183 VanDerWaalsContact O-N 3.09Å; L181-T183 PolarHBondContact O-OG1 3.11Å; L181-T183 VanDerWaalsContact O-OG1 3.08Å; L181-C222 PolarHBondContact N-O 3.14Å; L181-C222 PolarHBondContact O-N 2.8Å; L181-P224 HydrophobicContact CD1-CB 4.36Å; L181-P224 HydrophobicContact CD1-CG 3.75Å; L181-P224 HydrophobicContact CG-CG 4.49Å; L181-V259 HydrophobicContact CB-CG1 3.86Å; L181-V259 HydrophobicContact CD1-CG1 3.91Å; L181-F264 HydrophobicContact CB-CD2 4.18Å; L181-F264 HydrophobicContact CB-CE1 4.1Å; L181-F264 HydrophobicContact CB-CE2 3.54Å; L181-F264 HydrophobicContact CB-CZ 3.5Å; L181-F264 VanDerWaalsContact CB-CZ 3.5Å; L181-F264 HydrophobicContact CD1-CD2 3.6Å; L181-F264 HydrophobicContact CD1-CE2 3.51Å; L181-F264 HydrophobicContact CD1-CZ 4.36Å; L181-F264 HydrophobicContact CD2-CB 4.36Å; L181-F264 HydrophobicContact CD2-CD1 3.94Å; L181-F264 HydrophobicContact CD2-CD2 3.53Å; L181-F264 HydrophobicContact CD2-CE1 4.17Å; L181-F264 HydrophobicContact CD2-CE2 3.82Å; L181-F264 HydrophobicContact CD2-CG 3.62Å; L181-F264 HydrophobicContact CD2-CZ 4.13Å; L181-F264 HydrophobicContact CG-CD2 3.95Å; L181-F264 HydrophobicContact CG-CE2 3.8Å; L181-F264 HydrophobicContact CG-CG 4.5Å; L181-F264 HydrophobicContact CG-CZ 4.19Å
182P95Very high79.6Confident66 Ų6685.7 Ų85.743%0.42947%0.469SS..EExtended strand (participates in β ladder)trans-67.7112.2-17523.8-30.7000110.4I219 D221 F264P182-I219 HydrophobicContact CB-CG2 3.9Å; P182-D221 VanDerWaalsContact CA-OD1 3.31Å; P182-D221 WeakPolarHBondContact CA-OD1 3.45Å; P182-F264 HydrophobicContact CG-CD1 4.42Å; P182-F264 HydrophobicContact CG-CE1 3.8Å; P182-F264 VanDerWaalsContact O-CE1 3.29Å; P182-F264 WeakPolarHBondContact O-CE1 3.41Å; P182-F264 WeakPolarHBondContact O-CZ 3.29Å
183T95.7Very high81.9Confident15 Ų1584.7 Ų84.79%0.09246%0.459CS..EExtended strand (participates in β ladder)trans-113.5125.5-175.2-55.20000109.7L181 F185 I220 V257 V259L181-T183 PolarHBondContact O-N 2.98Å; L181-T183 VanDerWaalsContact O-N 3.09Å; L181-T183 PolarHBondContact O-OG1 3.11Å; L181-T183 VanDerWaalsContact O-OG1 3.08Å; T183-F185 HydrophobicContact CG2-CD2 4.44Å; T183-F185 HydrophobicContact CG2-CE2 3.74Å; T183-F185 HydrophobicContact CG2-CZ 3.86Å; T183-F185 WeakPolarHBondContact O-CD2 3.42Å; T183-I220 WeakPolarHBondContact CB-O 3.42Å; T183-I220 PolarHBondContact N-O 2.84Å; T183-I220 PolarHBondContact O-N 2.88Å; T183-V257 HydrophobicContact CG2-CG2 4.26Å; T183-V259 HydrophobicContact CG2-CG2 4.01Å
184V96.1Very high84.2Confident96 Ų9680.5 Ų80.558%0.58243%0.433SS*.EExtended strand (participates in β ladder)trans-88.4121.5-178-173.60000110.5I219V184-I219 HydrophobicContact CG2-CG1 4.26Å
185F96.8Very high86.3Confident4 Ų474.5 Ų74.52%0.01841%0.411CS..EExtended strand (participates in β ladder)trans-106.4122.7170.9-63.3-91.8000109.1T183 I196 F200 M209 Y217 V218 I220 Y229 V257T183-F185 HydrophobicContact CG2-CD2 4.44Å; T183-F185 HydrophobicContact CG2-CE2 3.74Å; T183-F185 HydrophobicContact CG2-CZ 3.86Å; T183-F185 WeakPolarHBondContact O-CD2 3.42Å; F185-I196 HydrophobicContact CB-CD1 3.63Å; F185-I196 HydrophobicContact CD1-CD1 3.57Å; F185-I196 HydrophobicContact CD2-CD1 4.35Å; F185-I196 HydrophobicContact CE1-CD1 4.32Å; F185-I196 HydrophobicContact CG-CD1 3.58Å; F185-F200 HydrophobicContact CE1-CE1 4.16Å; F185-F200 HydrophobicContact CE2-CE1 4.22Å; F185-F200 HydrophobicContact CZ-CD1 4.1Å; F185-F200 AromaticContact CZ-CE1 3.78Å; F185-F200 HydrophobicContact CZ-CE1 3.78Å; F185-M209 WeakPolarHBondContact O-CE 3.27Å; F185-Y217 CarbonylContact O-C 3.5Å; F185-Y217 WeakPolarHBondContact O-CA 3.27Å; F185-V218 HydrophobicContact CB-CG1 4.07Å; F185-V218 PolarHBondContact N-O 3.05Å; F185-V218 PolarHBondContact O-N 3.18Å; F185-I220 HydrophobicContact CD2-CB 4.2Å; F185-I220 HydrophobicContact CD2-CD1 4.01Å; F185-I220 HydrophobicContact CD2-CG1 4.23Å; F185-I220 HydrophobicContact CE2-CB 3.97Å; F185-I220 HydrophobicContact CE2-CD1 4.22Å; F185-I220 HydrophobicContact CE2-CG1 4.43Å; F185-Y229 HydrophobicContact CD1-CD1 4.1Å; F185-Y229 HydrophobicContact CD1-CD2 4.05Å; F185-Y229 HydrophobicContact CD1-CE1 4.04Å; F185-Y229 AromaticContact CD1-CE2 4Å; F185-Y229 HydrophobicContact CD1-CE2 4Å; F185-Y229 HydrophobicContact CD1-CG 4.08Å; F185-Y229 AromaticContact CD1-CZ 3.97Å; F185-Y229 AromaticContact CE1-CD1 3.6Å; F185-Y229 HydrophobicContact CE1-CD1 3.6Å; F185-Y229 HydrophobicContact CE1-CD2 4.31Å; F185-Y229 AromaticContact CE1-CE1 3.78Å; F185-Y229 HydrophobicContact CE1-CE1 3.78Å; F185-Y229 HydrophobicContact CE1-CE2 4.47Å; F185-Y229 AromaticContact CE1-CG 3.87Å; F185-Y229 HydrophobicContact CE1-CG 3.87Å; F185-V257 HydrophobicContact CE1-CB 4.43Å; F185-V257 HydrophobicContact CE1-CG1 3.73Å; F185-V257 HydrophobicContact CZ-CG1 3.84Å
186R96.2Very high88.4Confident135 Ų13565.4 Ų65.451%0.50937%0.371SS..EExtended strand (participates in β ladder)trans-122.4135-178.1-169.3174.171.2-155.6-3.2110.9N188 V216 Y231R186-N188 PolarHBondContact NE-OD1 3.12Å; R186-V216 WeakPolarHBondContact CA-O 3.21Å; R186-V216 WeakPolarHBondContact CG-O 3.41Å; R186-Y231 PolarHBondContact O-OH 3.48Å; R186-Y231 VanDerWaalsContact O-OH 3.1Å
187W95.1Very high90.4Very high27 Ų2762.3 Ų62.310%0.10236%0.355CS..EExtended strand (participates in β ladder)trans-109.2124.5171.2177.7-110.8000109.4G189 G190 M209 V216 Y231 I233 D240W187-G189 VanDerWaalsContact CD1-O 3.31Å; W187-G189 PolarHBondContact NE1-O 3.12Å; W187-G190 PolarHBondContact NE1-O 3.22Å; W187-G190 VanDerWaalsContact NE1-O 3.08Å; W187-M209 HydrophobicContact CB-CE 4.08Å; W187-M209 HydrophobicContact CB-SD 4.41Å; W187-V216 HydrophobicContact CB-CB 4.31Å; W187-V216 PolarHBondContact N-O 2.99Å; W187-Y231 HydrophobicContact CB-CD1 4.43Å; W187-Y231 HydrophobicContact CB-CE1 4.16Å; W187-Y231 HydrophobicContact CD2-CD2 4.46Å; W187-Y231 HydrophobicContact CD2-CG 4.49Å; W187-Y231 HydrophobicContact CE3-CD1 4.47Å; W187-Y231 AromaticContact CE3-CD2 3.51Å; W187-Y231 HydrophobicContact CE3-CD2 3.51Å; W187-Y231 AromaticContact CE3-CE2 3.66Å; W187-Y231 HydrophobicContact CE3-CE2 3.66Å; W187-Y231 AromaticContact CE3-CG 3.94Å; W187-Y231 HydrophobicContact CE3-CG 3.94Å; W187-Y231 AromaticContact CZ3-CD2 3.76Å; W187-Y231 HydrophobicContact CZ3-CD2 3.76Å; W187-Y231 HydrophobicContact CZ3-CE2 4.14Å; W187-Y231 HydrophobicContact CZ3-CG 4.39Å; W187-I233 HydrophobicContact CD2-CD1 3.87Å; W187-I233 HydrophobicContact CE3-CD1 4.45Å; W187-I233 HydrophobicContact CG-CD1 4.41Å; W187-I233 HydrophobicContact CH2-CD1 3.96Å; W187-I233 HydrophobicContact CZ2-CD1 3.28Å; W187-I233 HydrophobicContact CZ3-CD1 4.49Å; W187-D240 HydrophobicContact CE3-CB 4.42Å; W187-D240 HydrophobicContact CZ3-CB 4.1Å
188N91.2Very high92.3Very high105 Ų10555.9 Ų55.956%0.56132%0.316SS*.  trans-95.9-3.1-179.4-66.1-10.3000113R186R186-N188 PolarHBondContact NE-OD1 3.12Å
189G88.5Confident93.6Very high35 Ų3555.2 Ų55.236%0.36130%0.3SS..SBendtrans-87177.4-179.700000113.6W187W187-G189 VanDerWaalsContact CD1-O 3.31Å; W187-G189 PolarHBondContact NE1-O 3.12Å
190G89.8Confident94.3Very high64 Ų6452.6 Ų52.666%0.6629%0.285SS*.  trans-75.8175.9169.100000112.7W187W187-G190 PolarHBondContact NE1-O 3.22Å; W187-G190 VanDerWaalsContact NE1-O 3.08Å
191G91.1Very high94.5Very high15 Ų1548 Ų4816%0.15527%0.266CS..  trans150.4148.3176.900000111.6K211 D234G191-K211 PolarHBondContact O-NZ 3.4Å; G191-D234 WeakPolarHBondContact CA-OD2 3.39Å
192K92.8Very high94.5Very high164 Ų16452.9 Ų52.971%0.71329%0.292SS*.SBendtrans-87.5-60171.4-175.4-169.9173-160.10109.6D234K192-D234 WeakPolarHBondContact CA-OD1 3.3Å; K192-D234 VanDerWaalsContact CB-OD1 3.31Å; K192-D234 WeakPolarHBondContact CB-OD1 3.23Å; K192-D234 PolarHBondContact N-OD1 3.48Å; K192-D234 PolarHBondContact N-OD2 3.38Å; K192-D234 VanDerWaalsContact N-OD2 3.09Å
193D95.2Very high94.5Very high74 Ų7454.3 Ų54.340%0.39629%0.289SS..SBendtrans-109.9106.1-177.5-58.9-45.5000108.7Y195 I233 D234D193-Y195 HydrophobicContact CB-CE2 3.89Å; D193-I233 WeakPolarHBondContact O-CA 3.43Å; D193-D234 PolarHBondContact N-OD1 3.43Å; D193-D234 PolarHBondContact O-N 3.16Å
194I97.1Very high94.3Very high11 Ų1160.2 Ų60.26%0.05632%0.316CS..EExtended strand (participates in β ladder)trans-118.1122.5-171.3-59.3166.4000108.9M209 V216 I233I194-M209 HydrophobicContact CB-CB 4.44Å; I194-M209 HydrophobicContact CG2-CB 4.04Å; I194-M209 HydrophobicContact CG2-CG 4.1Å; I194-M209 HydrophobicContact CG2-SD 3.56Å; I194-M209 VanDerWaalsContact CG2-SD 3.56Å; I194-M209 PolarHBondContact O-N 3.48Å; I194-V216 HydrophobicContact CB-CG1 4.23Å; I194-V216 HydrophobicContact CD1-CB 4.26Å; I194-V216 HydrophobicContact CD1-CG1 3.81Å; I194-V216 HydrophobicContact CD1-CG2 3.78Å; I194-V216 HydrophobicContact CG2-CG1 3.96Å; I194-I233 HydrophobicContact CG1-CG1 4.38Å; I194-I233 HydrophobicContact CG1-CG2 4.07Å; I194-I233 HydrophobicContact CG2-CG1 4.17Å
195Y97.7Very high94.2Very high73 Ų7363 Ų6329%0.28632%0.32SS..EExtended strand (participates in β ladder)trans-126.9161.2177.5-53.6-98.2000111.1D193 R206 I207 P208 Y231 F232D193-Y195 HydrophobicContact CB-CE2 3.89Å; Y195-R206 HydrophobicContact CD1-CB 3.8Å; Y195-R206 HydrophobicContact CG-CB 3.92Å; Y195-I207 CarbonylContact C-O 3.54Å; Y195-I207 WeakPolarHBondContact CA-O 3.46Å; Y195-P208 HydrophobicContact CD1-CB 3.95Å; Y195-P208 HydrophobicContact CE1-CB 3.89Å; Y195-Y231 CarbonylContact O-C 3.5Å; Y195-Y231 WeakPolarHBondContact O-CA 3.08Å; Y195-F232 AromaticContact CD2-CD1 3.98Å; Y195-F232 HydrophobicContact CD2-CD1 3.98Å; Y195-F232 PolarHBondContact N-O 2.71Å; Y195-F232 PolarHBondContact O-N 2.94Å
196I97.5Very high94.1Very high0 Ų069.4 Ų69.40%034%0.344CS..EExtended strand (participates in β ladder)trans-127.3142.9170.3-168.9176.5000110.1F185 F200 I207 M209 V218 I220 Y229 Y231F185-I196 HydrophobicContact CB-CD1 3.63Å; F185-I196 HydrophobicContact CD1-CD1 3.57Å; F185-I196 HydrophobicContact CD2-CD1 4.35Å; F185-I196 HydrophobicContact CE1-CD1 4.32Å; F185-I196 HydrophobicContact CG-CD1 3.58Å; I196-F200 HydrophobicContact CD1-CZ 4.22Å; I196-F200 HydrophobicContact CG1-CZ 4.22Å; I196-I207 HydrophobicContact CG2-CB 3.97Å; I196-I207 HydrophobicContact CG2-CG2 4.46Å; I196-I207 PolarHBondContact N-O 3.09Å; I196-I207 PolarHBondContact O-N 2.95Å; I196-M209 HydrophobicContact CB-CG 4.4Å; I196-M209 HydrophobicContact CB-SD 4.2Å; I196-M209 HydrophobicContact CG2-CG 4.25Å; I196-V218 HydrophobicContact CG2-CG1 3.73Å; I196-I220 HydrophobicContact CG2-CD1 3.89Å; I196-Y229 HydrophobicContact CD1-CD2 3.67Å; I196-Y229 HydrophobicContact CD1-CE2 4.35Å; I196-Y229 HydrophobicContact CD1-CG 4.2Å; I196-Y229 HydrophobicContact CG1-CD2 4.17Å; I196-Y231 HydrophobicContact CB-CD1 4.22Å; I196-Y231 HydrophobicContact CB-CE1 4.4Å; I196-Y231 HydrophobicContact CD1-CD1 4.46Å; I196-Y231 HydrophobicContact CD1-CE1 3.92Å; I196-Y231 HydrophobicContact CG1-CD1 4.23Å; I196-Y231 HydrophobicContact CG1-CE1 4.19Å
197S97.2Very high94.1Very high1 Ų165.1 Ų65.11%0.00733%0.331CS..EExtended strand (participates in β ladder)trans-135.9153.7169.3-63.30000109.1W203 K205 R206 Y229 K230S197-W203 WeakPolarHBondContact O-CZ3 3.45Å; S197-K205 PolarHBondContact OG-O 3.04Å; S197-R206 WeakPolarHBondContact OG-CA 3.48Å; S197-Y229 CarbonylContact O-C 3.55Å; S197-Y229 VanDerWaalsContact O-CA 3.29Å; S197-Y229 WeakPolarHBondContact O-CA 3.35Å; S197-K230 PolarHBondContact N-O 3.25Å; S197-K230 VanDerWaalsContact N-O 3.08Å; S197-K230 PolarHBondContact O-N 3.31Å
198G96.4Very high94.2Very high0 Ų068 Ų680%035%0.353CS..EExtended strand (participates in β ladder)trans-171.1-175.818000000114.1F200 N201 N202 W203 Q228G198-F200 PolarHBondContact O-N 2.66Å; G198-N201 PolarHBondContact N-OD1 3.31Å; G198-N201 CarbonylContact O-C 3.51Å; G198-N201 PolarHBondContact O-N 3.04Å; G198-N201 VanDerWaalsContact O-N 3.15Å; G198-N201 PolarHBondContact O-OD1 3.32Å; G198-N202 PolarHBondContact O-N 2.99Å; G198-W203 PolarHBondContact O-N 3.41Å; G198-Q228 CarbonylContact C-O 3.59Å; G198-Q228 WeakPolarHBondContact CA-O 3.26Å
199T95.6Very high94.5Very high48 Ų4863.9 Ų63.929%0.29433%0.33SS..G310 helixtrans-60.4-24.3176.4520000113.8N201 N202 W203 H227 Q228T199-N201 PolarHBondContact O-N 3.13Å; T199-N202 PolarHBondContact O-N 2.66Å; T199-W203 HydrophobicContact CG2-CZ2 4.46Å; T199-H227 VanDerWaalsContact OG1-CA 3.26Å; T199-H227 WeakPolarHBondContact OG1-CA 3.48Å; T199-H227 WeakPolarHBondContact OG1-CB 3.44Å; T199-H227 PolarHBondContact OG1-ND1 3.46Å; T199-Q228 HydrophobicContact CG2-CB 3.87Å; T199-Q228 HydrophobicContact CG2-CG 4.39Å; T199-Q228 PolarHBondContact N-O 3.19Å; T199-Q228 PolarHBondContact OG1-N 3.24Å; T199-Q228 PolarHBondContact OG1-O 3.48Å
200F93.7Very high94.8Very high37 Ų3765.2 Ų65.216%0.16233%0.331CS..G310 helixtrans-69.6-18.4177.549.7-108.4000113.6F185 I196 G198 I207 I220 H227F185-F200 HydrophobicContact CE1-CE1 4.16Å; F185-F200 HydrophobicContact CE2-CE1 4.22Å; F185-F200 HydrophobicContact CZ-CD1 4.1Å; F185-F200 AromaticContact CZ-CE1 3.78Å; F185-F200 HydrophobicContact CZ-CE1 3.78Å; I196-F200 HydrophobicContact CD1-CZ 4.22Å; I196-F200 HydrophobicContact CG1-CZ 4.22Å; G198-F200 PolarHBondContact O-N 2.66Å; F200-I207 HydrophobicContact CD2-CD1 4.43Å; F200-I207 HydrophobicContact CE2-CD1 3.82Å; F200-I220 HydrophobicContact CD2-CD1 4.26Å; F200-I220 HydrophobicContact CD2-CG2 3.88Å; F200-I220 HydrophobicContact CE1-CD1 4.32Å; F200-I220 HydrophobicContact CE2-CD1 3.59Å; F200-I220 HydrophobicContact CE2-CG2 4.29Å; F200-I220 HydrophobicContact CG-CG2 4.15Å; F200-I220 HydrophobicContact CZ-CD1 3.61Å; F200-H227 HydrophobicContact CD1-CB 4.46Å
201N92.9Very high95Very high29 Ų2968.3 Ų68.316%0.15533%0.327CS..G310 helixtrans-128.327.2175.274.1-26.5000112.1G198 T199 W203 E204 K205 I207G198-N201 PolarHBondContact N-OD1 3.31Å; G198-N201 CarbonylContact O-C 3.51Å; G198-N201 PolarHBondContact O-N 3.04Å; G198-N201 VanDerWaalsContact O-N 3.15Å; G198-N201 PolarHBondContact O-OD1 3.32Å; T199-N201 PolarHBondContact O-N 3.13Å; N201-W203 PolarHBondContact O-N 3.29Å; N201-E204 PolarHBondContact O-N 2.76Å; N201-K205 PolarHBondContact ND2-O 2.95Å; N201-I207 HydrophobicContact CB-CD1 4.47Å
202N93.7Very high95Very high112 Ų11275 Ų7560%0.59935%0.347SS*.THydrogen-bonded Turntrans50.823.6-179.2-59.2-24.4000114.6G198 T199 E204G198-N202 PolarHBondContact O-N 2.99Å; T199-N202 PolarHBondContact O-N 2.66Å; N202-E204 HydrophobicContact CB-CG 3.89Å; N202-E204 WeakPolarHBondContact CB-OE1 3.43Å; N202-E204 PolarHBondContact ND2-OE1 3.27Å; N202-E204 PolarHBondContact O-N 3.2Å; N202-E204 VanDerWaalsContact O-N 3.08Å
203W93.4Very high94.8Very high95 Ų9576 Ų7636%0.3636%0.361SS..THydrogen-bonded Turntrans58.312.9-172.2-51.492.4000115.1S197 G198 T199 N201 Q228 K230S197-W203 WeakPolarHBondContact O-CZ3 3.45Å; G198-W203 PolarHBondContact O-N 3.41Å; T199-W203 HydrophobicContact CG2-CZ2 4.46Å; N201-W203 PolarHBondContact O-N 3.29Å; W203-Q228 HydrophobicContact CZ2-CB 4.11Å; W203-K230 HydrophobicContact CH2-CB 4.01Å; W203-K230 HydrophobicContact CZ3-CB 3.75Å
204E92.5Very high94.2Very high140 Ų14077 Ų7765%0.65437%0.373SS*.THydrogen-bonded Turntrans-71.5-36.8-173.1-72.2168.7-157.400112.8N201 N202N201-E204 PolarHBondContact O-N 2.76Å; N202-E204 HydrophobicContact CB-CG 3.89Å; N202-E204 WeakPolarHBondContact CB-OE1 3.43Å; N202-E204 PolarHBondContact ND2-OE1 3.27Å; N202-E204 PolarHBondContact O-N 3.2Å; N202-E204 VanDerWaalsContact O-N 3.08Å
205K93.3Very high93.8Very high153 Ų15377.7 Ų77.767%0.66538%0.383SS*.SBendtrans-126.6148.6-175-64.2-176-177.7-179.10111.3S197 N201S197-K205 PolarHBondContact OG-O 3.04Å; N201-K205 PolarHBondContact ND2-O 2.95Å
206R95Very high93.7Very high140 Ų14074.7 Ų74.753%0.52837%0.372SS..  trans-88.9109.1168-70.6-179.4-67.6-163.2-2.4108Y195 S197 P208 F232Y195-R206 HydrophobicContact CD1-CB 3.8Å; Y195-R206 HydrophobicContact CG-CB 3.92Å; S197-R206 WeakPolarHBondContact OG-CA 3.48Å; R206-P208 WeakPolarHBondContact O-CD 3.49Å; R206-F232 VanDerWaalsContact NH1-CZ 3.28Å
207I96.9Very high93.7Very high45 Ų4578.2 Ų78.223%0.23139%0.386CS..EExtended strand (participates in β ladder)trans-83.1118.6180-58.2175.3000107.7Y195 I196 F200 N201 V218 I220Y195-I207 CarbonylContact C-O 3.54Å; Y195-I207 WeakPolarHBondContact CA-O 3.46Å; I196-I207 HydrophobicContact CG2-CB 3.97Å; I196-I207 HydrophobicContact CG2-CG2 4.46Å; I196-I207 PolarHBondContact N-O 3.09Å; I196-I207 PolarHBondContact O-N 2.95Å; F200-I207 HydrophobicContact CD2-CD1 4.43Å; F200-I207 HydrophobicContact CE2-CD1 3.82Å; N201-I207 HydrophobicContact CB-CD1 4.47Å; I207-V218 HydrophobicContact CG2-CG2 4.15Å; I207-I220 HydrophobicContact CD1-CD1 3.8Å; I207-I220 HydrophobicContact CD1-CG1 4.46Å
208P96.9Very high93.7Very high86 Ų8679 Ų7956%0.55839%0.391SS*.EExtended strand (participates in β ladder)trans-66.5137.6179.627.5-33.7000110.7Y195 R206Y195-P208 HydrophobicContact CD1-CB 3.95Å; Y195-P208 HydrophobicContact CE1-CB 3.89Å; R206-P208 WeakPolarHBondContact O-CD 3.49Å
209M97.2Very high93.7Very high20 Ų2083.5 Ų83.510%0.09941%0.414CS..PPolyproline II helixtrans-94.3145.8176.1-61.9-174.770.500111.2F185 W187 I194 I196 V216 V218 Y231F185-M209 WeakPolarHBondContact O-CE 3.27Å; W187-M209 HydrophobicContact CB-CE 4.08Å; W187-M209 HydrophobicContact CB-SD 4.41Å; I194-M209 HydrophobicContact CB-CB 4.44Å; I194-M209 HydrophobicContact CG2-CB 4.04Å; I194-M209 HydrophobicContact CG2-CG 4.1Å; I194-M209 HydrophobicContact CG2-SD 3.56Å; I194-M209 VanDerWaalsContact CG2-SD 3.56Å; I194-M209 PolarHBondContact O-N 3.48Å; I196-M209 HydrophobicContact CB-CG 4.4Å; I196-M209 HydrophobicContact CB-SD 4.2Å; I196-M209 HydrophobicContact CG2-CG 4.25Å; M209-V216 HydrophobicContact CB-CG1 3.61Å; M209-V216 HydrophobicContact CE-CG1 4.16Å; M209-V216 HydrophobicContact SD-CG1 4.38Å; M209-V218 HydrophobicContact CE-CG1 4.25Å; M209-V218 HydrophobicContact CG-CB 4.31Å; M209-V218 HydrophobicContact CG-CG1 4.07Å; M209-Y231 HydrophobicContact CE-CD1 4.46Å; M209-Y231 HydrophobicContact CE-CE1 3.84Å; M209-Y231 HydrophobicContact SD-CD1 3.61Å; M209-Y231 HydrophobicContact SD-CE1 3.57Å; M209-Y231 VanDerWaalsContact SD-CE1 3.57Å
210V95.1Very high93.7Very high63 Ų6382.2 Ų82.238%0.38241%0.405SS..EExtended strand (participates in β ladder)trans-87.2126.1-179.4-173.80000109.5R212 V216 Y217V210-R212 HydrophobicContact CG1-CG 4.04Å; V210-V216 WeakPolarHBondContact O-CA 3.28Å; V210-Y217 PolarHBondContact N-O 3.24Å; V210-Y217 PolarHBondContact O-N 3.06Å
211K93.8Very high93.7Very high129 Ų12984.8 Ų84.856%0.56142%0.421SS*.EExtended strand (participates in β ladder)trans-95.7118.9175.2-172.9166.9-174.2175.80110.3G191 V216G191-K211 PolarHBondContact O-NZ 3.4Å; K211-V216 HydrophobicContact CB-CG2 4.18Å; K211-V216 HydrophobicContact CD-CG2 4.36Å; K211-V216 HydrophobicContact CG-CG2 3.92Å
212R91.8Very high93.8Very high156 Ų15683.5 Ų83.559%0.58941%0.413SS*.EExtended strand (participates in β ladder)trans-130.4172.5175.3-64-61.4-176-153.34110.6V210 S214 G215 Y217V210-R212 HydrophobicContact CG1-CG 4.04Å; R212-S214 PolarHBondContact O-N 3.29Å; R212-S214 VanDerWaalsContact O-N 3.17Å; R212-G215 PolarHBondContact N-O 3.28Å; R212-G215 PolarHBondContact O-N 3.01Å; R212-G215 VanDerWaalsContact O-O 3.13Å; R212-Y217 HydrophobicContact CB-CE1 4.16Å; R212-Y217 HydrophobicContact CG-CE1 4.02Å
213N88.1Confident93.8Very high185 Ų18584.3 Ų84.399%0.98941%0.412SS*.THydrogen-bonded Turntrans-60.1-24.9176-64.70.5000112.6G215N213-G215 VanDerWaalsContact C-N 3.32Å
214S83.3Confident93.8Very high94 Ų9482.3 Ų82.366%0.65741%0.411SS*.THydrogen-bonded Turntrans-81.6-4.3176.853.50000114.4R212R212-S214 PolarHBondContact O-N 3.29Å; R212-S214 VanDerWaalsContact O-N 3.17Å
215G88.9Confident93.9Very high26 Ų2677.2 Ų77.227%0.26840%0.396SS..EExtended strand (participates in β ladder)trans123.1-172.5-177.300000113.1R212 N213R212-G215 PolarHBondContact N-O 3.28Å; R212-G215 PolarHBondContact O-N 3.01Å; R212-G215 VanDerWaalsContact O-O 3.13Å; N213-G215 VanDerWaalsContact C-N 3.32Å
216V95.4Very high94Very high9 Ų974.1 Ų74.16%0.05539%0.39CS..EExtended strand (participates in β ladder)trans-105.8122.9179-176.40000109.2R186 W187 I194 M209 V210 K211R186-V216 WeakPolarHBondContact CA-O 3.21Å; R186-V216 WeakPolarHBondContact CG-O 3.41Å; W187-V216 HydrophobicContact CB-CB 4.31Å; W187-V216 PolarHBondContact N-O 2.99Å; I194-V216 HydrophobicContact CB-CG1 4.23Å; I194-V216 HydrophobicContact CD1-CB 4.26Å; I194-V216 HydrophobicContact CD1-CG1 3.81Å; I194-V216 HydrophobicContact CD1-CG2 3.78Å; I194-V216 HydrophobicContact CG2-CG1 3.96Å; M209-V216 HydrophobicContact CB-CG1 3.61Å; M209-V216 HydrophobicContact CE-CG1 4.16Å; M209-V216 HydrophobicContact SD-CG1 4.38Å; V210-V216 WeakPolarHBondContact O-CA 3.28Å; K211-V216 HydrophobicContact CB-CG2 4.18Å; K211-V216 HydrophobicContact CD-CG2 4.36Å; K211-V216 HydrophobicContact CG-CG2 3.92Å
217Y96.4Very high94.1Very high74 Ų7468.5 Ų68.529%0.2937%0.37SS..EExtended strand (participates in β ladder)trans-150.3164.3-175.465.6-86.5000113.2F185 V210 R212F185-Y217 CarbonylContact O-C 3.5Å; F185-Y217 WeakPolarHBondContact O-CA 3.27Å; V210-Y217 PolarHBondContact N-O 3.24Å; V210-Y217 PolarHBondContact O-N 3.06Å; R212-Y217 HydrophobicContact CB-CE1 4.16Å; R212-Y217 HydrophobicContact CG-CE1 4.02Å
218V96.8Very high94.1Very high18 Ų1869.5 Ų69.511%0.10937%0.373CS..EExtended strand (participates in β ladder)trans-147.5149.3167.165.70000109F185 I196 I207 M209 I220F185-V218 HydrophobicContact CB-CG1 4.07Å; F185-V218 PolarHBondContact N-O 3.05Å; F185-V218 PolarHBondContact O-N 3.18Å; I196-V218 HydrophobicContact CG2-CG1 3.73Å; I207-V218 HydrophobicContact CG2-CG2 4.15Å; M209-V218 HydrophobicContact CE-CG1 4.25Å; M209-V218 HydrophobicContact CG-CB 4.31Å; M209-V218 HydrophobicContact CG-CG1 4.07Å; V218-I220 HydrophobicContact CG1-CD1 3.92Å; V218-I220 HydrophobicContact CG1-CG1 4.08Å; V218-I220 HydrophobicContact CG2-CG1 4.1Å
219I96.4Very high94.1Very high95 Ų9565.9 Ų65.949%0.48735%0.349SS..EExtended strand (participates in β ladder)trans-107.9123.5174.5-54.2-179.7000106.8P182 V184P182-I219 HydrophobicContact CB-CG2 3.9Å; V184-I219 HydrophobicContact CG2-CG1 4.26Å
220I95.7Very high94.1Very high20 Ų2065.9 Ų65.910%0.10335%0.348CS..EExtended strand (participates in β ladder)trans-126.2129.8-178.7-58.7173.3000108.4T183 F185 I196 F200 I207 V218 C222T183-I220 WeakPolarHBondContact CB-O 3.42Å; T183-I220 PolarHBondContact N-O 2.84Å; T183-I220 PolarHBondContact O-N 2.88Å; F185-I220 HydrophobicContact CD2-CB 4.2Å; F185-I220 HydrophobicContact CD2-CD1 4.01Å; F185-I220 HydrophobicContact CD2-CG1 4.23Å; F185-I220 HydrophobicContact CE2-CB 3.97Å; F185-I220 HydrophobicContact CE2-CD1 4.22Å; F185-I220 HydrophobicContact CE2-CG1 4.43Å; I196-I220 HydrophobicContact CG2-CD1 3.89Å; F200-I220 HydrophobicContact CD2-CD1 4.26Å; F200-I220 HydrophobicContact CD2-CG2 3.88Å; F200-I220 HydrophobicContact CE1-CD1 4.32Å; F200-I220 HydrophobicContact CE2-CD1 3.59Å; F200-I220 HydrophobicContact CE2-CG2 4.29Å; F200-I220 HydrophobicContact CG-CG2 4.15Å; F200-I220 HydrophobicContact CZ-CD1 3.61Å; I207-I220 HydrophobicContact CD1-CD1 3.8Å; I207-I220 HydrophobicContact CD1-CG1 4.46Å; V218-I220 HydrophobicContact CG1-CD1 3.92Å; V218-I220 HydrophobicContact CG1-CG1 4.08Å; V218-I220 HydrophobicContact CG2-CG1 4.1Å; I220-C222 PolarHBondContact O-N 3.01Å
221D94.8Very high94.2Very high92 Ų9262.9 Ų62.949%0.49233%0.33SS..EExtended strand (participates in β ladder)trans-74.5104.8174.3-77.2-16.1000110.2K180 P182K180-D221 HydrophobicContact CB-CB 3.67Å; K180-D221 HydrophobicContact CD-CB 4.01Å; K180-D221 HydrophobicContact CG-CB 4.5Å; P182-D221 VanDerWaalsContact CA-OD1 3.31Å; P182-D221 WeakPolarHBondContact CA-OD1 3.45Å
222C94.1Very high94.4Very high1 Ų158 Ų581%0.00731%0.309CS..EExtended strand (participates in β ladder)trans-105.1148.2-178.1-64.70000111.1K180 L181 I220 V259K180-C222 CarbonylContact C-O 3.51Å; K180-C222 WeakPolarHBondContact CA-O 3.45Å; L181-C222 PolarHBondContact N-O 3.14Å; L181-C222 PolarHBondContact O-N 2.8Å; I220-C222 PolarHBondContact O-N 3.01Å; C222-V259 HydrophobicContact CB-CG2 3.99Å
223K93.6Very high94.6Very high130 Ų13051 Ų5157%0.56528%0.283SS*.  trans-71.1152.7171.3-70.6-178.7178.5176.40109.1K180 G225 H227K180-K223 HydrophobicContact CG-CG 4.21Å; K223-G225 PolarHBondContact O-N 2.78Å; K223-H227 PolarHBondContact O-NE2 3.2Å
224P93.3Very high94.9Very high53 Ų5346.6 Ų46.634%0.34426%0.259SS..SBendtrans-55.3130.5167.9-19.127.2000110.1L179 L181 V259L179-P224 WeakPolarHBondContact O-CD 3.47Å; L181-P224 HydrophobicContact CD1-CB 4.36Å; L181-P224 HydrophobicContact CD1-CG 3.75Å; L181-P224 HydrophobicContact CG-CG 4.49Å; P224-V259 CarbonylContact C-O 3.55Å; P224-V259 WeakPolarHBondContact CA-O 3.43Å
225G94.1Very high95.5Very high33 Ų3344.8 Ų44.834%0.3426%0.255SS..EExtended strand (participates in β ladder)trans145-169.2-174.800000113.6K223 V259K223-G225 PolarHBondContact O-N 2.78Å; G225-V259 PolarHBondContact N-O 2.93Å; G225-V259 PolarHBondContact O-N 2.84Å
226T96.5Very high95.7Very high87 Ų8745.1 Ų45.153%0.53426%0.256SS..EExtended strand (participates in β ladder)trans-98.9125-180-54.80000109.4V256 H258T226-V256 HydrophobicContact CG2-CG1 3.48Å; T226-V256 VanDerWaalsContact CG2-CG1 3.48Å; T226-H258 PolarHBondContact OG1-CD2 3.01Å
227H96.8Very high95.7Very high23 Ų2349.2 Ų49.211%0.10627%0.271CS..EExtended strand (participates in β ladder)trans-119.9128179.1-70.4-69.9000110.9T199 F200 K223 V256 V257T199-H227 VanDerWaalsContact OG1-CA 3.26Å; T199-H227 WeakPolarHBondContact OG1-CA 3.48Å; T199-H227 WeakPolarHBondContact OG1-CB 3.44Å; T199-H227 PolarHBondContact OG1-ND1 3.46Å; F200-H227 HydrophobicContact CD1-CB 4.46Å; K223-H227 PolarHBondContact O-NE2 3.2Å; H227-V256 WeakPolarHBondContact O-CA 3.33Å; H227-V257 HydrophobicContact CB-CG1 3.83Å; H227-V257 PolarHBondContact N-O 2.7Å; H227-V257 PolarHBondContact O-N 2.84Å
228Q97.4Very high95.7Very high65 Ų6551 Ų5130%0.30428%0.277SS..EExtended strand (participates in β ladder)trans-89.9143.6167.3-54.9-174.420.800110.3G198 T199 W203 V246 N254 N255 V256G198-Q228 CarbonylContact C-O 3.59Å; G198-Q228 WeakPolarHBondContact CA-O 3.26Å; T199-Q228 HydrophobicContact CG2-CB 3.87Å; T199-Q228 HydrophobicContact CG2-CG 4.39Å; T199-Q228 PolarHBondContact N-O 3.19Å; T199-Q228 PolarHBondContact OG1-N 3.24Å; T199-Q228 PolarHBondContact OG1-O 3.48Å; W203-Q228 HydrophobicContact CZ2-CB 4.11Å; Q228-V246 HydrophobicContact CG-CG1 4.06Å; Q228-N254 HydrophobicContact CB-CB 4.27Å; Q228-N254 PolarHBondContact OE1-ND2 3.43Å; Q228-N255 CarbonylContact C-O 3.58Å; Q228-N255 VanDerWaalsContact CA-O 3.26Å; Q228-N255 WeakPolarHBondContact CA-O 3.34Å; Q228-V256 HydrophobicContact CG-CG2 4.42Å
229Y97.6Very high95.6Very high10 Ų1053.1 Ų53.14%0.03929%0.286CS..EExtended strand (participates in β ladder)trans-150.3162.6178.570-85.7000111.9F185 I196 S197 Y231 N255 V257F185-Y229 HydrophobicContact CD1-CD1 4.1Å; F185-Y229 HydrophobicContact CD1-CD2 4.05Å; F185-Y229 HydrophobicContact CD1-CE1 4.04Å; F185-Y229 AromaticContact CD1-CE2 4Å; F185-Y229 HydrophobicContact CD1-CE2 4Å; F185-Y229 HydrophobicContact CD1-CG 4.08Å; F185-Y229 AromaticContact CD1-CZ 3.97Å; F185-Y229 AromaticContact CE1-CD1 3.6Å; F185-Y229 HydrophobicContact CE1-CD1 3.6Å; F185-Y229 HydrophobicContact CE1-CD2 4.31Å; F185-Y229 AromaticContact CE1-CE1 3.78Å; F185-Y229 HydrophobicContact CE1-CE1 3.78Å; F185-Y229 HydrophobicContact CE1-CE2 4.47Å; F185-Y229 AromaticContact CE1-CG 3.87Å; F185-Y229 HydrophobicContact CE1-CG 3.87Å; I196-Y229 HydrophobicContact CD1-CD2 3.67Å; I196-Y229 HydrophobicContact CD1-CE2 4.35Å; I196-Y229 HydrophobicContact CD1-CG 4.2Å; I196-Y229 HydrophobicContact CG1-CD2 4.17Å; S197-Y229 CarbonylContact O-C 3.55Å; S197-Y229 VanDerWaalsContact O-CA 3.29Å; S197-Y229 WeakPolarHBondContact O-CA 3.35Å; Y229-Y231 HydrophobicContact CD2-CE2 4.22Å; Y229-Y231 HydrophobicContact CE2-CD2 4.48Å; Y229-Y231 HydrophobicContact CE2-CE1 4.46Å; Y229-Y231 AromaticContact CE2-CE2 3.59Å; Y229-Y231 HydrophobicContact CE2-CE2 3.59Å; Y229-Y231 AromaticContact CE2-CZ 3.58Å; Y229-Y231 WeakPolarHBondContact CE2-OH 3.15Å; Y229-N255 HydrophobicContact CD1-CB 3.89Å; Y229-N255 HydrophobicContact CD2-CB 3.97Å; Y229-N255 HydrophobicContact CE1-CB 3.43Å; Y229-N255 VanDerWaalsContact CE1-CB 3.43Å; Y229-N255 HydrophobicContact CE2-CB 3.49Å; Y229-N255 VanDerWaalsContact CE2-CB 3.49Å; Y229-N255 HydrophobicContact CG-CB 4.17Å; Y229-N255 PolarHBondContact N-O 3.06Å; Y229-N255 PolarHBondContact O-N 3.35Å; Y229-V257 HydrophobicContact CD1-CG1 4.26Å; Y229-V257 HydrophobicContact CE1-CB 4.11Å; Y229-V257 HydrophobicContact CE1-CG1 4.27Å
230K96.9Very high95.5Very high21 Ų2148.9 Ų48.99%0.09127%0.265CS..EExtended strand (participates in β ladder)trans-149.1151.2176.6-154.9171.3-172179.30110.2S197 W203 W237 Y238 T252 K253S197-K230 PolarHBondContact N-O 3.25Å; S197-K230 VanDerWaalsContact N-O 3.08Å; S197-K230 PolarHBondContact O-N 3.31Å; W203-K230 HydrophobicContact CH2-CB 4.01Å; W203-K230 HydrophobicContact CZ3-CB 3.75Å; K230-W237 HydrophobicContact CB-CE3 3.85Å; K230-W237 HydrophobicContact CB-CZ3 4.02Å; K230-W237 HydrophobicContact CD-CB 4.13Å; K230-W237 HydrophobicContact CD-CD2 4.42Å; K230-W237 HydrophobicContact CD-CE3 3.97Å; K230-W237 HydrophobicContact CG-CE3 3.86Å; K230-Y238 WeakPolarHBondContact CG-O 3.49Å; K230-T252 PolarHBondContact NZ-OG1 3.09Å; K230-K253 VanDerWaalsContact CE-O 3.27Å; K230-K253 WeakPolarHBondContact CE-O 3.39Å
231Y97.2Very high95.4Very high0 Ų052.9 Ų52.90%029%0.292CS..EExtended strand (participates in β ladder)trans-94.6138.4178.2-60.6-76.5000110.4R186 W187 Y195 I196 M209 Y229 W237 Y238 D240R186-Y231 PolarHBondContact O-OH 3.48Å; R186-Y231 VanDerWaalsContact O-OH 3.1Å; W187-Y231 HydrophobicContact CB-CD1 4.43Å; W187-Y231 HydrophobicContact CB-CE1 4.16Å; W187-Y231 HydrophobicContact CD2-CD2 4.46Å; W187-Y231 HydrophobicContact CD2-CG 4.49Å; W187-Y231 HydrophobicContact CE3-CD1 4.47Å; W187-Y231 AromaticContact CE3-CD2 3.51Å; W187-Y231 HydrophobicContact CE3-CD2 3.51Å; W187-Y231 AromaticContact CE3-CE2 3.66Å; W187-Y231 HydrophobicContact CE3-CE2 3.66Å; W187-Y231 AromaticContact CE3-CG 3.94Å; W187-Y231 HydrophobicContact CE3-CG 3.94Å; W187-Y231 AromaticContact CZ3-CD2 3.76Å; W187-Y231 HydrophobicContact CZ3-CD2 3.76Å; W187-Y231 HydrophobicContact CZ3-CE2 4.14Å; W187-Y231 HydrophobicContact CZ3-CG 4.39Å; Y195-Y231 CarbonylContact O-C 3.5Å; Y195-Y231 WeakPolarHBondContact O-CA 3.08Å; I196-Y231 HydrophobicContact CB-CD1 4.22Å; I196-Y231 HydrophobicContact CB-CE1 4.4Å; I196-Y231 HydrophobicContact CD1-CD1 4.46Å; I196-Y231 HydrophobicContact CD1-CE1 3.92Å; I196-Y231 HydrophobicContact CG1-CD1 4.23Å; I196-Y231 HydrophobicContact CG1-CE1 4.19Å; M209-Y231 HydrophobicContact CE-CD1 4.46Å; M209-Y231 HydrophobicContact CE-CE1 3.84Å; M209-Y231 HydrophobicContact SD-CD1 3.61Å; M209-Y231 HydrophobicContact SD-CE1 3.57Å; M209-Y231 VanDerWaalsContact SD-CE1 3.57Å; Y229-Y231 HydrophobicContact CD2-CE2 4.22Å; Y229-Y231 HydrophobicContact CE2-CD2 4.48Å; Y229-Y231 HydrophobicContact CE2-CE1 4.46Å; Y229-Y231 AromaticContact CE2-CE2 3.59Å; Y229-Y231 HydrophobicContact CE2-CE2 3.59Å; Y229-Y231 AromaticContact CE2-CZ 3.58Å; Y229-Y231 WeakPolarHBondContact CE2-OH 3.15Å; Y231-W237 CarbonylContact O-C 3.57Å; Y231-W237 WeakPolarHBondContact O-CA 3.4Å; Y231-Y238 PolarHBondContact N-O 2.91Å; Y231-Y238 PolarHBondContact O-N 3.47Å; Y231-D240 HydrophobicContact CE2-CB 4.14Å
232F96.7Very high95.4Very high27 Ų2753.6 Ų53.612%0.11830%0.299CS..EExtended strand (participates in β ladder)trans-112.8112.4171.1-176.4-96.2000108.1Y195 R206 G235 A236 W237Y195-F232 AromaticContact CD2-CD1 3.98Å; Y195-F232 HydrophobicContact CD2-CD1 3.98Å; Y195-F232 PolarHBondContact N-O 2.71Å; Y195-F232 PolarHBondContact O-N 2.94Å; R206-F232 VanDerWaalsContact NH1-CZ 3.28Å; F232-G235 WeakPolarHBondContact CE2-O 3.31Å; F232-G235 VanDerWaalsContact CZ-C 3.48Å; F232-G235 VanDerWaalsContact CZ-CA 3.44Å; F232-A236 CarbonylContact C-O 3.57Å; F232-A236 WeakPolarHBondContact CA-O 3.33Å; F232-W237 HydrophobicContact CB-CD2 4.26Å; F232-W237 HydrophobicContact CB-CE3 3.94Å; F232-W237 HydrophobicContact CB-CH2 4.12Å; F232-W237 HydrophobicContact CB-CZ2 4.41Å; F232-W237 HydrophobicContact CB-CZ3 3.88Å; F232-W237 AromaticContact CD2-CD1 3.99Å; F232-W237 AromaticContact CD2-CD2 3.78Å; F232-W237 HydrophobicContact CD2-CD2 3.78Å; F232-W237 AromaticContact CD2-CE2 3.59Å; F232-W237 HydrophobicContact CD2-CE3 4.33Å; F232-W237 HydrophobicContact CD2-CG 4.05Å; F232-W237 HydrophobicContact CD2-CZ2 4.01Å; F232-W237 AromaticContact CD2-NE1 3.71Å
233I96.6Very high95.4Very high7 Ų758.1 Ų58.14%0.03632%0.319CS..EExtended strand (participates in β ladder)trans-128.3123.3-169.2-54.4172.3000108.4W187 D193 I194 G235 A236 Y238W187-I233 HydrophobicContact CD2-CD1 3.87Å; W187-I233 HydrophobicContact CE3-CD1 4.45Å; W187-I233 HydrophobicContact CG-CD1 4.41Å; W187-I233 HydrophobicContact CH2-CD1 3.96Å; W187-I233 HydrophobicContact CZ2-CD1 3.28Å; W187-I233 HydrophobicContact CZ3-CD1 4.49Å; D193-I233 WeakPolarHBondContact O-CA 3.43Å; I194-I233 HydrophobicContact CG1-CG1 4.38Å; I194-I233 HydrophobicContact CG1-CG2 4.07Å; I194-I233 HydrophobicContact CG2-CG1 4.17Å; I233-G235 PolarHBondContact O-N 3.13Å; I233-A236 PolarHBondContact N-O 3.48Å; I233-A236 PolarHBondContact O-N 2.9Å; I233-Y238 HydrophobicContact CB-CD2 3.76Å; I233-Y238 HydrophobicContact CB-CE2 4.02Å; I233-Y238 HydrophobicContact CD1-CD2 4Å; I233-Y238 HydrophobicContact CD1-CG 4.27Å; I233-Y238 HydrophobicContact CG1-CD2 4.11Å
234D95.4Very high95.5Very high93 Ų9355.7 Ų55.750%0.49732%0.317SS..THydrogen-bonded Turntrans48.635.4174-59.1-27000113.8G191 K192 D193G191-D234 WeakPolarHBondContact CA-OD2 3.39Å; K192-D234 WeakPolarHBondContact CA-OD1 3.3Å; K192-D234 VanDerWaalsContact CB-OD1 3.31Å; K192-D234 WeakPolarHBondContact CB-OD1 3.23Å; K192-D234 PolarHBondContact N-OD1 3.48Å; K192-D234 PolarHBondContact N-OD2 3.38Å; K192-D234 VanDerWaalsContact N-OD2 3.09Å; D193-D234 PolarHBondContact N-OD1 3.43Å; D193-D234 PolarHBondContact O-N 3.16Å
235G94Very high95.6Very high56 Ų5656 Ų5658%0.57732%0.318SS*.THydrogen-bonded Turntrans96.1-4.4178.600000116F232 I233F232-G235 WeakPolarHBondContact CE2-O 3.31Å; F232-G235 VanDerWaalsContact CZ-C 3.48Å; F232-G235 VanDerWaalsContact CZ-CA 3.44Å; I233-G235 PolarHBondContact O-N 3.13Å
236A95.1Very high95.8Very high34 Ų3457 Ų5728%0.28132%0.317SS..EExtended strand (participates in β ladder)trans-127.2154-177.300000113.4F232 I233 Y238F232-A236 CarbonylContact C-O 3.57Å; F232-A236 WeakPolarHBondContact CA-O 3.33Å; I233-A236 PolarHBondContact N-O 3.48Å; I233-A236 PolarHBondContact O-N 2.9Å; A236-Y238 HydrophobicContact CB-CD2 4.44Å; A236-Y238 HydrophobicContact CB-CE2 3.65Å; A236-Y238 WeakPolarHBondContact O-CD2 3.28Å
237W94.7Very high95.7Very high95 Ų9558.4 Ų58.436%0.3632%0.321SS..EExtended strand (participates in β ladder)trans-90.6127.3-179.6-72.8101.6000112.1K230 Y231 F232K230-W237 HydrophobicContact CB-CE3 3.85Å; K230-W237 HydrophobicContact CB-CZ3 4.02Å; K230-W237 HydrophobicContact CD-CB 4.13Å; K230-W237 HydrophobicContact CD-CD2 4.42Å; K230-W237 HydrophobicContact CD-CE3 3.97Å; K230-W237 HydrophobicContact CG-CE3 3.86Å; Y231-W237 CarbonylContact O-C 3.57Å; Y231-W237 WeakPolarHBondContact O-CA 3.4Å; F232-W237 HydrophobicContact CB-CD2 4.26Å; F232-W237 HydrophobicContact CB-CE3 3.94Å; F232-W237 HydrophobicContact CB-CH2 4.12Å; F232-W237 HydrophobicContact CB-CZ2 4.41Å; F232-W237 HydrophobicContact CB-CZ3 3.88Å; F232-W237 AromaticContact CD2-CD1 3.99Å; F232-W237 AromaticContact CD2-CD2 3.78Å; F232-W237 HydrophobicContact CD2-CD2 3.78Å; F232-W237 AromaticContact CD2-CE2 3.59Å; F232-W237 HydrophobicContact CD2-CE3 4.33Å; F232-W237 HydrophobicContact CD2-CG 4.05Å; F232-W237 HydrophobicContact CD2-CZ2 4.01Å; F232-W237 AromaticContact CD2-NE1 3.71Å
238Y95.4Very high95.4Very high110 Ų11058.7 Ų58.743%0.43132%0.324SS..EExtended strand (participates in β ladder)trans-127.3153.6-179.8-65.8-89000111.7K230 Y231 I233 A236K230-Y238 WeakPolarHBondContact CG-O 3.49Å; Y231-Y238 PolarHBondContact N-O 2.91Å; Y231-Y238 PolarHBondContact O-N 3.47Å; I233-Y238 HydrophobicContact CB-CD2 3.76Å; I233-Y238 HydrophobicContact CB-CE2 4.02Å; I233-Y238 HydrophobicContact CD1-CD2 4Å; I233-Y238 HydrophobicContact CD1-CG 4.27Å; I233-Y238 HydrophobicContact CG1-CD2 4.11Å; A236-Y238 HydrophobicContact CB-CD2 4.44Å; A236-Y238 HydrophobicContact CB-CE2 3.65Å; A236-Y238 WeakPolarHBondContact O-CD2 3.28Å
239H95.2Very high95Very high63 Ų6364.5 Ų64.529%0.29235%0.351SS..  trans-120.6154.7167.469.2-85.7000109P241 N255H239-P241 WeakPolarHBondContact O-CD 3.4Å; H239-N255 VanDerWaalsContact CA-OD1 3.3Å; H239-N255 WeakPolarHBondContact CA-OD1 3.49Å; H239-N255 WeakPolarHBondContact CB-OD1 3.43Å
240D95.1Very high94.6Very high7 Ų772.3 Ų72.34%0.03738%0.381CS..  trans-83.6114173.1-176.3-12.4000109.7W187 Y231 T242 K243 N255W187-D240 HydrophobicContact CE3-CB 4.42Å; W187-D240 HydrophobicContact CZ3-CB 4.1Å; Y231-D240 HydrophobicContact CE2-CB 4.14Å; D240-T242 VanDerWaalsContact CG-OG1 3.23Å; D240-T242 PolarHBondContact O-N 3.39Å; D240-T242 WeakPolarHBondContact OD1-CB 3.28Å; D240-T242 PolarHBondContact OD1-N 3.32Å; D240-T242 PolarHBondContact OD1-OG1 2.93Å; D240-T242 PolarHBondContact OD2-OG1 2.81Å; D240-K243 HydrophobicContact CB-CB 4.35Å; D240-K243 HydrophobicContact CB-CG 4.03Å; D240-K243 PolarHBondContact O-N 3.32Å; D240-K243 WeakPolarHBondContact OD2-CG 3.46Å; D240-N255 PolarHBondContact N-OD1 3.38Å; D240-N255 PolarHBondContact O-ND2 2.85Å
241P93.8Very high94.2Very high104 Ų10474.9 Ų74.968%0.67541%0.413SS*.THydrogen-bonded Turntrans-70.9-13-179.330.4-36.2000113.3H239 K243H239-P241 WeakPolarHBondContact O-CD 3.4Å; P241-K243 VanDerWaalsContact C-N 3.3Å
242T93.6Very high93.9Very high106 Ų10676.6 Ų76.665%0.6542%0.424SS*.THydrogen-bonded Turntrans-83.4-9.617872.40000113.1D240D240-T242 VanDerWaalsContact CG-OG1 3.23Å; D240-T242 PolarHBondContact O-N 3.39Å; D240-T242 WeakPolarHBondContact OD1-CB 3.28Å; D240-T242 PolarHBondContact OD1-N 3.32Å; D240-T242 PolarHBondContact OD1-OG1 2.93Å; D240-T242 PolarHBondContact OD2-OG1 2.81Å
243K94.3Very high93.9Very high96 Ų9679.5 Ų79.542%0.41744%0.437SS..SBendtrans-108.4156.4-178.2-61.6-66.8-175.3174.70110.5D240 P241 T245D240-K243 HydrophobicContact CB-CB 4.35Å; D240-K243 HydrophobicContact CB-CG 4.03Å; D240-K243 PolarHBondContact O-N 3.32Å; D240-K243 WeakPolarHBondContact OD2-CG 3.46Å; P241-K243 VanDerWaalsContact C-N 3.3Å; K243-T245 PolarHBondContact O-N 3.45Å
244P95.6Very high93.9Very high80 Ų8079.7 Ų79.752%0.51944%0.438SS..  trans-53.3140173-25.135.1000111.6N255 V256P244-N255 WeakPolarHBondContact O-CA 3.47Å; P244-N255 PolarHBondContact O-ND2 3.31Å; P244-V256 PolarHBondContact O-N 2.93Å
245T96.6Very high94Very high59 Ų5975.3 Ų75.336%0.36241%0.414SS..EExtended strand (participates in β ladder)trans-129.2153.7179.6500000111.2K243 K253 N254 N255K243-T245 PolarHBondContact O-N 3.45Å; T245-K253 HydrophobicContact CG2-CB 4.43Å; T245-N254 CarbonylContact C-O 3.56Å; T245-N254 WeakPolarHBondContact CA-O 3.47Å; T245-N254 WeakPolarHBondContact CB-O 3.28Å; T245-N255 WeakPolarHBondContact CG2-ND2 3.35Å
246V96.6Very high94.2Very high54 Ų5473.5 Ų73.533%0.32739%0.392SS..EExtended strand (participates in β ladder)trans-130141.6172.367.20000108.8Q228 K253 N254 V256Q228-V246 HydrophobicContact CG-CG1 4.06Å; V246-K253 WeakPolarHBondContact O-CA 3.2Å; V246-N254 HydrophobicContact CG1-CB 4.22Å; V246-N254 PolarHBondContact N-O 3.47Å; V246-N254 PolarHBondContact O-N 2.99Å; V246-V256 HydrophobicContact CB-CG2 3.71Å; V246-V256 HydrophobicContact CG1-CG2 3.44Å; V246-V256 VanDerWaalsContact CG1-CG2 3.44Å
247D95.2Very high94.2Very high116 Ų11673.6 Ų73.662%0.6239%0.389SS*.EExtended strand (participates in β ladder)trans-70.2136.6174.3-60.7-50.7000109.7K253D247-K253 WeakPolarHBondContact OD1-CE 3.39Å; D247-K253 WeakPolarHBondContact OD1-CG 3.35Å
248N90.7Very high94.2Very high30 Ų3073.6 Ų73.616%0.1639%0.393CS..  trans-103.8168.8177.371.822.3000111.6Y250 G251 T252 N254N248-Y250 PolarHBondContact O-N 3.25Å; N248-Y250 WeakPolarHBondContact OD1-CA 3.16Å; N248-Y250 PolarHBondContact OD1-N 3.42Å; N248-Y250 VanDerWaalsContact OD1-N 3.09Å; N248-G251 PolarHBondContact O-N 3.07Å; N248-G251 VanDerWaalsContact O-N 3.1Å; N248-G251 PolarHBondContact OD1-N 2.82Å; N248-T252 VanDerWaalsContact CG-OG1 3.3Å; N248-T252 PolarHBondContact N-O 3.36Å; N248-T252 PolarHBondContact ND2-O 3.08Å; N248-T252 PolarHBondContact ND2-OG1 2.98Å; N248-T252 WeakPolarHBondContact OD1-CA 3.19Å; N248-T252 PolarHBondContact OD1-N 3.13Å; N248-T252 PolarHBondContact OD1-O 3.18Å; N248-T252 PolarHBondContact OD1-OG1 3.21Å; N248-N254 PolarHBondContact ND2-OD1 3.4Å
249E89.3Confident94.2Very high186 Ų18668.6 Ų68.687%0.86937%0.374SS*.THydrogen-bonded Turntrans-61.9-17.1-177.4-61.2172.4179.300113.6
250Y88.2Confident94Very high175 Ų17570.9 Ų70.969%0.68638%0.38SS*.THydrogen-bonded Turntrans-95.511.1-179.5-53.7-76.9000113.1N248 T252N248-Y250 PolarHBondContact O-N 3.25Å; N248-Y250 WeakPolarHBondContact OD1-CA 3.16Å; N248-Y250 PolarHBondContact OD1-N 3.42Å; N248-Y250 VanDerWaalsContact OD1-N 3.09Å; Y250-T252 PolarHBondContact O-N 3.18Å
251G89.4Confident93.5Very high74 Ų7473.3 Ų73.376%0.76340%0.397SS*.SBendtrans70.815.1-178.800000114.1N248N248-G251 PolarHBondContact O-N 3.07Å; N248-G251 VanDerWaalsContact O-N 3.1Å; N248-G251 PolarHBondContact OD1-N 2.82Å
252T91.7Very high93.1Very high37 Ų3769.4 Ų69.423%0.22737%0.372CS..SBendtrans-113.5174.1174.366.50000110.5K230 N248 Y250K230-T252 PolarHBondContact NZ-OG1 3.09Å; N248-T252 VanDerWaalsContact CG-OG1 3.3Å; N248-T252 PolarHBondContact N-O 3.36Å; N248-T252 PolarHBondContact ND2-O 3.08Å; N248-T252 PolarHBondContact ND2-OG1 2.98Å; N248-T252 WeakPolarHBondContact OD1-CA 3.19Å; N248-T252 PolarHBondContact OD1-N 3.13Å; N248-T252 PolarHBondContact OD1-O 3.18Å; N248-T252 PolarHBondContact OD1-OG1 3.21Å; Y250-T252 PolarHBondContact O-N 3.18Å
253K95.5Very high92.8Very high87 Ų8767.5 Ų67.538%0.37836%0.358SS..EExtended strand (participates in β ladder)trans-105.4138-179.1-65.9-175.4179-172.30111.8K230 T245 V246 D247K230-K253 VanDerWaalsContact CE-O 3.27Å; K230-K253 WeakPolarHBondContact CE-O 3.39Å; T245-K253 HydrophobicContact CG2-CB 4.43Å; V246-K253 WeakPolarHBondContact O-CA 3.2Å; D247-K253 WeakPolarHBondContact OD1-CE 3.39Å; D247-K253 WeakPolarHBondContact OD1-CG 3.35Å
254N97.2Very high92.4Very high12 Ų1266.1 Ų66.16%0.06435%0.352CS..EExtended strand (participates in β ladder)trans-104.2148.3166.2-66.2-11000108.8Q228 T245 V246 N248Q228-N254 HydrophobicContact CB-CB 4.27Å; Q228-N254 PolarHBondContact OE1-ND2 3.43Å; T245-N254 CarbonylContact C-O 3.56Å; T245-N254 WeakPolarHBondContact CA-O 3.47Å; T245-N254 WeakPolarHBondContact CB-O 3.28Å; V246-N254 HydrophobicContact CG1-CB 4.22Å; V246-N254 PolarHBondContact N-O 3.47Å; V246-N254 PolarHBondContact O-N 2.99Å; N248-N254 PolarHBondContact ND2-OD1 3.4Å
255N97.6Very high92Very high0 Ų066.1 Ų66.10%035%0.348CS..EExtended strand (participates in β ladder)trans-78154.4167.7-71.4117.1000110.9Q228 Y229 H239 D240 P244 T245Q228-N255 CarbonylContact C-O 3.58Å; Q228-N255 VanDerWaalsContact CA-O 3.26Å; Q228-N255 WeakPolarHBondContact CA-O 3.34Å; Y229-N255 HydrophobicContact CD1-CB 3.89Å; Y229-N255 HydrophobicContact CD2-CB 3.97Å; Y229-N255 HydrophobicContact CE1-CB 3.43Å; Y229-N255 VanDerWaalsContact CE1-CB 3.43Å; Y229-N255 HydrophobicContact CE2-CB 3.49Å; Y229-N255 VanDerWaalsContact CE2-CB 3.49Å; Y229-N255 HydrophobicContact CG-CB 4.17Å; Y229-N255 PolarHBondContact N-O 3.06Å; Y229-N255 PolarHBondContact O-N 3.35Å; H239-N255 VanDerWaalsContact CA-OD1 3.3Å; H239-N255 WeakPolarHBondContact CA-OD1 3.49Å; H239-N255 WeakPolarHBondContact CB-OD1 3.43Å; D240-N255 PolarHBondContact N-OD1 3.38Å; D240-N255 PolarHBondContact O-ND2 2.85Å; P244-N255 WeakPolarHBondContact O-CA 3.47Å; P244-N255 PolarHBondContact O-ND2 3.31Å; T245-N255 WeakPolarHBondContact CG2-ND2 3.35Å
256V97.4Very high91.5Very high19 Ų1968.2 Ų68.212%0.11536%0.36CS..EExtended strand (participates in β ladder)trans-125.3132.1179.3-175.40000110.3T226 H227 Q228 P244 V246T226-V256 HydrophobicContact CG2-CG1 3.48Å; T226-V256 VanDerWaalsContact CG2-CG1 3.48Å; H227-V256 WeakPolarHBondContact O-CA 3.33Å; Q228-V256 HydrophobicContact CG-CG2 4.42Å; P244-V256 PolarHBondContact O-N 2.93Å; V246-V256 HydrophobicContact CB-CG2 3.71Å; V246-V256 HydrophobicContact CG1-CG2 3.44Å; V246-V256 VanDerWaalsContact CG1-CG2 3.44Å
257V96.1Very high91.1Very high35 Ų3571.5 Ų71.521%0.21238%0.376CS..EExtended strand (participates in β ladder)trans-120.6140.4168.965.90000109.8T183 F185 H227 Y229 V259T183-V257 HydrophobicContact CG2-CG2 4.26Å; F185-V257 HydrophobicContact CE1-CB 4.43Å; F185-V257 HydrophobicContact CE1-CG1 3.73Å; F185-V257 HydrophobicContact CZ-CG1 3.84Å; H227-V257 HydrophobicContact CB-CG1 3.83Å; H227-V257 PolarHBondContact N-O 2.7Å; H227-V257 PolarHBondContact O-N 2.84Å; Y229-V257 HydrophobicContact CD1-CG1 4.26Å; Y229-V257 HydrophobicContact CE1-CB 4.11Å; Y229-V257 HydrophobicContact CE1-CG1 4.27Å; V257-V259 HydrophobicContact CG1-CG2 4.37Å; V257-V259 HydrophobicContact CG2-CG2 4.43Å
258H94.9Very high90.7Very high95 Ų9570.1 Ų70.144%0.4437%0.365SS..EExtended strand (participates in β ladder)trans-107.3113.6173.8-59.384.2000107.4T226T226-H258 PolarHBondContact OG1-CD2 3.01Å
259V94.1Very high90.5Very high6 Ų669.7 Ų69.74%0.03637%0.366CS..EExtended strand (participates in β ladder)trans-97.6109179.6-178.60000107.5L181 T183 C222 P224 G225 V257 F264L181-V259 HydrophobicContact CB-CG1 3.86Å; L181-V259 HydrophobicContact CD1-CG1 3.91Å; T183-V259 HydrophobicContact CG2-CG2 4.01Å; C222-V259 HydrophobicContact CB-CG2 3.99Å; P224-V259 CarbonylContact C-O 3.55Å; P224-V259 WeakPolarHBondContact CA-O 3.43Å; G225-V259 PolarHBondContact N-O 2.93Å; G225-V259 PolarHBondContact O-N 2.84Å; V257-V259 HydrophobicContact CG1-CG2 4.37Å; V257-V259 HydrophobicContact CG2-CG2 4.43Å; V259-F264 HydrophobicContact CG1-CE2 4.18Å
260R90.3Very high90.5Very high111 Ų11165.1 Ų65.142%0.41935%0.347SS..  trans-108.6147.5179.7-56176-179.7164.73.9109.8S262 D263 F264 H272R260-S262 WeakPolarHBondContact CB-OG 3.35Å; R260-S262 PolarHBondContact O-N 3.41Å; R260-D263 WeakPolarHBondContact CB-OD2 3.46Å; R260-D263 PolarHBondContact N-OD2 3.08Å; R260-D263 WeakPolarHBondContact O-CB 3.32Å; R260-D263 PolarHBondContact O-N 3.2Å; R260-D263 VanDerWaalsContact O-N 3.11Å; R260-F264 WeakPolarHBondContact O-CD2 3.48Å; R260-H272 PolarHBondContact NH1-CE1 3.08Å; R260-H272 VanDerWaalsContact NH1-CE1 3.32Å; R260-H272 PolarHBondContact NH1-NE2 3.37Å
261S86.6Confident90.3Very high57 Ų5762.9 Ų62.940%0.39934%0.343SS..G310 helixtrans-62.1-27.2172.2-52.90000112.4D263 F264S261-D263 PolarHBondContact O-N 2.79Å; S261-F264 PolarHBondContact O-N 3.24Å
262S85.3Confident90Very high22 Ų2262.8 Ų62.815%0.15432%0.322CS..G310 helixtrans-61.4-28.5174.5530000113.6R260 F264 D265 H268R260-S262 WeakPolarHBondContact CB-OG 3.35Å; R260-S262 PolarHBondContact O-N 3.41Å; S262-F264 PolarHBondContact O-N 3.27Å; S262-D265 PolarHBondContact O-N 2.94Å; S262-H268 WeakPolarHBondContact CB-CE1 3.16Å; S262-H268 WeakPolarHBondContact CB-ND1 3.45Å
263D85.3Confident89.7Confident67 Ų6765.7 Ų65.736%0.35834%0.336SS..G310 helixtrans-70.9-13.9-175.6-53.3-22.1000111.6R260 S261R260-D263 WeakPolarHBondContact CB-OD2 3.46Å; R260-D263 PolarHBondContact N-OD2 3.08Å; R260-D263 WeakPolarHBondContact O-CB 3.32Å; R260-D263 PolarHBondContact O-N 3.2Å; R260-D263 VanDerWaalsContact O-N 3.11Å; S261-D263 PolarHBondContact O-N 2.79Å
264F86.1Confident89.2Confident66 Ų6667.1 Ų67.129%0.28935%0.345SS..G310 helixtrans-103.9-5.7-179.4-61.2-88.6000112.9L181 P182 V259 R260 S261 S262L181-F264 HydrophobicContact CB-CD2 4.18Å; L181-F264 HydrophobicContact CB-CE1 4.1Å; L181-F264 HydrophobicContact CB-CE2 3.54Å; L181-F264 HydrophobicContact CB-CZ 3.5Å; L181-F264 VanDerWaalsContact CB-CZ 3.5Å; L181-F264 HydrophobicContact CD1-CD2 3.6Å; L181-F264 HydrophobicContact CD1-CE2 3.51Å; L181-F264 HydrophobicContact CD1-CZ 4.36Å; L181-F264 HydrophobicContact CD2-CB 4.36Å; L181-F264 HydrophobicContact CD2-CD1 3.94Å; L181-F264 HydrophobicContact CD2-CD2 3.53Å; L181-F264 HydrophobicContact CD2-CE1 4.17Å; L181-F264 HydrophobicContact CD2-CE2 3.82Å; L181-F264 HydrophobicContact CD2-CG 3.62Å; L181-F264 HydrophobicContact CD2-CZ 4.13Å; L181-F264 HydrophobicContact CG-CD2 3.95Å; L181-F264 HydrophobicContact CG-CE2 3.8Å; L181-F264 HydrophobicContact CG-CG 4.5Å; L181-F264 HydrophobicContact CG-CZ 4.19Å; P182-F264 HydrophobicContact CG-CD1 4.42Å; P182-F264 HydrophobicContact CG-CE1 3.8Å; P182-F264 VanDerWaalsContact O-CE1 3.29Å; P182-F264 WeakPolarHBondContact O-CE1 3.41Å; P182-F264 WeakPolarHBondContact O-CZ 3.29Å; V259-F264 HydrophobicContact CG1-CE2 4.18Å; R260-F264 WeakPolarHBondContact O-CD2 3.48Å; S261-F264 PolarHBondContact O-N 3.24Å; S262-F264 PolarHBondContact O-N 3.27Å
265D87.4Confident88.4Confident81 Ų8168.8 Ų68.843%0.43336%0.36SS..SBendtrans-93.9110.6163.9-176.8-18.8000108.1S262 L267 H268 A269S262-D265 PolarHBondContact O-N 2.94Å; D265-L267 PolarHBondContact O-N 3.46Å; D265-L267 PolarHBondContact OD1-N 3.04Å; D265-L267 VanDerWaalsContact OD1-N 3.08Å; D265-H268 HydrophobicContact CB-CB 3.97Å; D265-H268 PolarHBondContact O-N 2.97Å; D265-H268 VanDerWaalsContact O-N 3.13Å; D265-A269 WeakPolarHBondContact O-CB 3.31Å; D265-A269 PolarHBondContact O-N 3.29Å
266V86.6Confident87.6Confident102 Ų10271.1 Ų71.162%0.61838%0.376SS*.Hα-helixtrans-55.7-38.2-175179.50000111.8L270V266-L270 HydrophobicContact CG1-CD1 4Å; V266-L270 HydrophobicContact CG1-CG 4.48Å; V266-L270 WeakPolarHBondContact O-CB 3.39Å; V266-L270 WeakPolarHBondContact O-CG 3.31Å; V266-L270 PolarHBondContact O-N 2.9Å
267L88.1Confident86.6Confident124 Ų12474 Ų7465%0.64940%0.398SS*.Hα-helixtrans-69.7-44.8-178.8-64.4177.9000110.8D265 L270 E271D265-L267 PolarHBondContact O-N 3.46Å; D265-L267 PolarHBondContact OD1-N 3.04Å; D265-L267 VanDerWaalsContact OD1-N 3.08Å; L267-L270 PolarHBondContact O-N 3.11Å; L267-E271 WeakPolarHBondContact O-CB 3.35Å; L267-E271 PolarHBondContact O-N 3.35Å
268H86.7Confident85.2Confident86 Ų8680.6 Ų80.640%0.39842%0.418SS..Hα-helixtrans-70.6-37.8-179.5-166.9-176.7000112S262 D265 E271 H272S262-H268 WeakPolarHBondContact CB-CE1 3.16Å; S262-H268 WeakPolarHBondContact CB-ND1 3.45Å; D265-H268 HydrophobicContact CB-CB 3.97Å; D265-H268 PolarHBondContact O-N 2.97Å; D265-H268 VanDerWaalsContact O-N 3.13Å; H268-E271 PolarHBondContact O-N 3.34Å; H268-H272 WeakPolarHBondContact O-CB 3.41Å; H268-H272 PolarHBondContact O-N 3.36Å
269A86.3Confident83.5Confident21 Ų2186.3 Ų86.317%0.17444%0.436CS..Hα-helixtrans-60.1-47.217300000111.3D265 E271 H272 D273D265-A269 WeakPolarHBondContact O-CB 3.31Å; D265-A269 PolarHBondContact O-N 3.29Å; A269-E271 PolarHBondContact O-N 2.89Å; A269-H272 PolarHBondContact O-N 2.94Å; A269-D273 WeakPolarHBondContact O-CB 3.26Å; A269-D273 PolarHBondContact O-N 2.92Å
270L88.9Confident81.6Confident91 Ų9197.2 Ų97.248%0.47648%0.477SS..Hα-helixtrans-63.4-40.3176.8-73.2172.4000112.4V266 L267 D273 Q274V266-L270 HydrophobicContact CG1-CD1 4Å; V266-L270 HydrophobicContact CG1-CG 4.48Å; V266-L270 WeakPolarHBondContact O-CB 3.39Å; V266-L270 WeakPolarHBondContact O-CG 3.31Å; V266-L270 PolarHBondContact O-N 2.9Å; L267-L270 PolarHBondContact O-N 3.11Å; L270-D273 PolarHBondContact O-N 2.96Å; L270-Q274 WeakPolarHBondContact O-CB 3.26Å; L270-Q274 VanDerWaalsContact O-CG 3.28Å; L270-Q274 WeakPolarHBondContact O-CG 3.17Å; L270-Q274 PolarHBondContact O-N 3.22Å
271E85.9Confident80.1Confident127 Ų12795.7 Ų95.759%0.59348%0.483SS*.Hα-helixtrans-62.3-44.7175.7-175.8176.5-169.400111.6L267 H268 A269 D273 Q274 A275L267-E271 WeakPolarHBondContact O-CB 3.35Å; L267-E271 PolarHBondContact O-N 3.35Å; H268-E271 PolarHBondContact O-N 3.34Å; A269-E271 PolarHBondContact O-N 2.89Å; E271-D273 VanDerWaalsContact C-N 3.34Å; E271-D273 PolarHBondContact O-N 2.84Å; E271-Q274 PolarHBondContact O-N 3.48Å; E271-A275 WeakPolarHBondContact O-CB 3.44Å; E271-A275 PolarHBondContact O-N 3.2Å
272H81.6Confident78.2Confident73 Ų7398.4 Ų98.434%0.33849%0.493SS..Hα-helixtrans-63.6-38.9177.3-164.765.4000112.4R260 H268 A269 A275 S276R260-H272 PolarHBondContact NH1-CE1 3.08Å; R260-H272 VanDerWaalsContact NH1-CE1 3.32Å; R260-H272 PolarHBondContact NH1-NE2 3.37Å; H268-H272 WeakPolarHBondContact O-CB 3.41Å; H268-H272 PolarHBondContact O-N 3.36Å; A269-H272 PolarHBondContact O-N 2.94Å; H272-A275 PolarHBondContact O-N 3.36Å; H272-S276 VanDerWaalsContact O-CB 3.28Å; H272-S276 WeakPolarHBondContact O-CB 3.47Å; H272-S276 PolarHBondContact O-N 2.89Å; H272-S276 PolarHBondContact O-OG 2.73Å
273D84.8Confident76.3Confident97 Ų97103.1 Ų103.152%0.51953%0.526SS..Hα-helixtrans-68.3-39.6176.8-78.3-12.2000112A269 L270 E271 S276 S277A269-D273 WeakPolarHBondContact O-CB 3.26Å; A269-D273 PolarHBondContact O-N 2.92Å; L270-D273 PolarHBondContact O-N 2.96Å; E271-D273 VanDerWaalsContact C-N 3.34Å; E271-D273 PolarHBondContact O-N 2.84Å; D273-S276 PolarHBondContact O-N 3.45Å; D273-S277 WeakPolarHBondContact O-CB 3.47Å; D273-S277 PolarHBondContact O-N 3.2Å; D273-S277 PolarHBondContact O-OG 3.09Å
274Q85.7Confident74.4Confident118 Ų118104.1 Ų104.155%0.55154%0.538SS*.Hα-helixtrans-64.9-44.2174-74.3-178.814.700111.5L270 E271 S277 R278L270-Q274 WeakPolarHBondContact O-CB 3.26Å; L270-Q274 VanDerWaalsContact O-CG 3.28Å; L270-Q274 WeakPolarHBondContact O-CG 3.17Å; L270-Q274 PolarHBondContact O-N 3.22Å; E271-Q274 PolarHBondContact O-N 3.48Å; Q274-S277 PolarHBondContact O-N 3.42Å; Q274-R278 WeakPolarHBondContact O-CG 3.41Å; Q274-R278 PolarHBondContact O-N 2.81Å; Q274-R278 VanDerWaalsContact O-N 3.13Å
275A81.2Confident72.3Confident47 Ų47109.6 Ų109.639%0.38857%0.565SS.*Hα-helixtrans-63.6-42.1176.800000112E271 H272 R278 R279E271-A275 WeakPolarHBondContact O-CB 3.44Å; E271-A275 PolarHBondContact O-N 3.2Å; H272-A275 PolarHBondContact O-N 3.36Å; A275-R278 PolarHBondContact O-N 3.06Å; A275-R279 PolarHBondContact O-N 2.87Å; A275-R279 VanDerWaalsContact O-N 3.16Å
276S80.1Confident70Confident48 Ų48110.8 Ų110.834%0.33658%0.579SS.*Hα-helixtrans-67.3-35.9178.1-62.70000112.4H272 D273 R279 R280H272-S276 VanDerWaalsContact O-CB 3.28Å; H272-S276 WeakPolarHBondContact O-CB 3.47Å; H272-S276 PolarHBondContact O-N 2.89Å; H272-S276 PolarHBondContact O-OG 2.73Å; D273-S276 PolarHBondContact O-N 3.45Å; S276-R279 PolarHBondContact O-N 3.47Å; S276-R280 PolarHBondContact O-N 3.42Å
277S76.8Confident67.9Low81 Ų81111 Ų11157%0.56659%0.585SS**Hα-helixtrans-66.6-39.4176-62.20000111.9D273 Q274 R280D273-S277 WeakPolarHBondContact O-CB 3.47Å; D273-S277 PolarHBondContact O-N 3.2Å; D273-S277 PolarHBondContact O-OG 3.09Å; Q274-S277 PolarHBondContact O-N 3.42Å; S277-R280 PolarHBondContact O-N 3.31Å
278R65.5Low65.6Low172 Ų172114.2 Ų114.265%0.64960%0.597SS**Hα-helixtrans-66.8-38.4175.9-70.6177.5-176.3178.22.7112.9Q274 A275 R280 S281 N282Q274-R278 WeakPolarHBondContact O-CG 3.41Å; Q274-R278 PolarHBondContact O-N 2.81Å; Q274-R278 VanDerWaalsContact O-N 3.13Å; A275-R278 PolarHBondContact O-N 3.06Å; R278-R280 VanDerWaalsContact C-N 3.31Å; R278-R280 PolarHBondContact O-N 3.47Å; R278-S281 PolarHBondContact O-N 3.01Å; R278-S281 PolarHBondContact O-OG 2.93Å; R278-N282 PolarHBondContact O-N 2.93Å
279R59.5Low64.1Low215 Ų215116 Ų11681%0.81161%0.614SS**Hα-helixtrans-67.4-29.8177.2-75.9-173176-176.5-0.3113.2A275 S276 S281A275-R279 PolarHBondContact O-N 2.87Å; A275-R279 VanDerWaalsContact O-N 3.16Å; S276-R279 PolarHBondContact O-N 3.47Å; R279-S281 VanDerWaalsContact C-N 3.29Å; R279-S281 PolarHBondContact O-N 2.92Å
280R55.8Low62Low236 Ų236121.4 Ų121.489%0.89164%0.64SS**Hα-helixtrans-71.4-22.2174.9-79.3-176.1176.1173.60.6113.5S276 S277 R278S276-R280 PolarHBondContact O-N 3.42Å; S277-R280 PolarHBondContact O-N 3.31Å; R278-R280 VanDerWaalsContact C-N 3.31Å; R278-R280 PolarHBondContact O-N 3.47Å
281S57.5Low59.8Low78 Ų78122.2 Ų122.255%0.54565%0.653SS.*Hα-helixtrans-92.1-24.1178.260.30000113.9R278 R279R278-S281 PolarHBondContact O-N 3.01Å; R278-S281 PolarHBondContact O-OG 2.93Å; R279-S281 VanDerWaalsContact C-N 3.29Å; R279-S281 PolarHBondContact O-N 2.92Å
282N47.4Very low58Low115 Ų115123.9 Ų123.962%0.61567%0.665SS**  trans-123.380.9-174.5-66.515.3000110.9R278 S284R278-N282 PolarHBondContact O-N 2.93Å; N282-S284 PolarHBondContact O-N 3.01Å
283S45.7Very low56.2Low121 Ų121122.6 Ų122.685%0.84667%0.672SS**  trans-8531.2169.761.40000112.9
284S44.9Very low54.4Low88 Ų88121.7 Ų121.762%0.61569%0.685SS**SBendtrans-148.8110177.837.40000109.3N282N282-S284 PolarHBondContact O-N 3.01Å
285E41.9Very low53.1Low181 Ų181126.5 Ų126.585%0.84670%0.7SS**  trans56.8119.8153.8-80.8173.2133.300121
286S38.2Very low52.2Low106 Ų106127.6 Ų127.674%0.74171%0.705SS**  trans47.9107.6138.364.50000119
287S44.3Very low51.7Low106 Ų106130 Ų13074%0.74172%0.719SS**  166.3124.595.1570000109.4V289S287-V289 PolarHBondContact O-N 3.14Å
288E39.5Very low51.1Low192 Ų192130 Ų13090%0.89772%0.718SS**  trans-63.9118.9168.5-56.7178.7141.600109.1
289V54.4Low51.3Low124 Ų124124.6 Ų124.675%0.75272%0.715SS**  trans-163.4107.7143.9-87.10000108.9S287S287-V289 PolarHBondContact O-N 3.14Å
290D42Very low52Low133 Ų133123.5 Ų123.571%0.71172%0.719SS**  trans22.3110.1137.1-139.7-0.8000117.5L292D290-L292 WeakPolarHBondContact OD1-CD1 3.27Å
291S43.9Very low53.1Low108 Ų108120.9 Ų120.976%0.75571%0.71SS**  trans-130.558.7165.2-68.70000109.5G293S291-G293 VanDerWaalsContact C-N 3.27Å; S291-G293 PolarHBondContact O-N 3.22Å
292L47.1Very low54.1Low162 Ų162120.4 Ų120.485%0.84872%0.718SS**  trans-6190.2155.9-77.4164.6000108.8D290D290-L292 WeakPolarHBondContact OD1-CD1 3.27Å
293G45Very low55.9Low47 Ų47126.6 Ų126.649%0.48573%0.733SS.*  trans151.566.317300000114.2S291 Y295S291-G293 VanDerWaalsContact C-N 3.27Å; S291-G293 PolarHBondContact O-N 3.22Å; G293-Y295 VanDerWaalsContact C-N 3.26Å; G293-Y295 PolarHBondContact O-N 2.84Å
294G45.2Very low57.6Low78 Ų78127 Ų12780%0.80472%0.72SS**THydrogen-bonded Turntrans-67.366.4-17800000115.8
295Y59.3Low59.3Low219 Ų219129.7 Ų129.786%0.85973%0.726SS**THydrogen-bonded Turntrans-122.7-8.9170.2-60.6-70.6000113.8G293G293-Y295 VanDerWaalsContact C-N 3.26Å; G293-Y295 PolarHBondContact O-N 2.84Å
296S61.5Low60.9Low70 Ų70122.9 Ų122.949%0.4970%0.697SS.*SBendtrans-107.3140.1-179.5-55.70000109.9
297P69.8Low62.6Low97 Ų97123.9 Ų123.963%0.6370%0.699SS**  trans-51.8146.4172.5-26.234.6000111.6G299P297-G299 PolarHBondContact O-N 3.45Å
298P65Low64Low83 Ų83122.7 Ų122.754%0.53968%0.684SS.*SBendtrans-58.8126.7177.1-2030.3000111.6
299G68.8Low65.5Low58 Ų58117.4 Ų117.460%0.59866%0.662SS**SBendtrans149.1165.9177.600000111.8P297P297-G299 PolarHBondContact O-N 3.45Å
300E75.4Confident66.1Low191 Ų191113.9 Ų113.989%0.89364%0.642SS**  trans-90.3134.9171.3-169166.7-173.700109.6G302E300-G302 PolarHBondContact O-N 3.35Å; E300-G302 VanDerWaalsContact O-N 3.14Å
301Y77.9Confident67.2Low181 Ų181110.7 Ų110.771%0.7162%0.623SS**  trans-71.9108.8175.1-79-90.9000109.3
302G79.9Confident68.1Low69 Ų69109.7 Ų109.771%0.71161%0.609SS**  trans-96.1158.8175.600000113.1E300E300-G302 PolarHBondContact O-N 3.35Å; E300-G302 VanDerWaalsContact O-N 3.14Å
303R84.2Confident68.6Low245 Ų245107.6 Ų107.693%0.92559%0.59SS**  trans-93.1-0.316963.7-179.5-65.7-179.70.4113.7I305R303-I305 PolarHBondContact O-N 3.21Å
304F81.1Confident69Low128 Ų128112.5 Ų112.556%0.56161%0.605SS**  trans-72.5121178.7178.9-100.1000109.2P306 I315F304-P306 HydrophobicContact CD1-CG 4.12Å; F304-P306 HydrophobicContact CE1-CB 4.13Å; F304-P306 HydrophobicContact CE1-CG 4Å; F304-P306 WeakPolarHBondContact O-CD 3.18Å; F304-I315 HydrophobicContact CD1-CD1 3.89Å; F304-I315 HydrophobicContact CE1-CD1 3.95Å
305I80.3Confident69.5Low145 Ų145113.4 Ų113.474%0.74459%0.59SS**  trans-98.1111.8172.1-59174.3000106.1R303 T307R303-I305 PolarHBondContact O-N 3.21Å; I305-T307 PolarHBondContact O-N 2.84Å
306P76.1Confident69.1Low39 Ų39105.6 Ų105.625%0.25357%0.568SS.*  trans-56.9134.5177.5-2535.2000111.2F304 E311 L312 I315F304-P306 HydrophobicContact CD1-CG 4.12Å; F304-P306 HydrophobicContact CE1-CB 4.13Å; F304-P306 HydrophobicContact CE1-CG 4Å; F304-P306 WeakPolarHBondContact O-CD 3.18Å; P306-E311 WeakPolarHBondContact CA-OE2 3.39Å; P306-E311 HydrophobicContact CB-CB 4.14Å; P306-L312 HydrophobicContact CB-CD2 4.5Å; P306-L312 HydrophobicContact CB-CG 4.14Å; P306-L312 HydrophobicContact CG-CD2 3.68Å; P306-L312 HydrophobicContact CG-CG 3.87Å; P306-I315 HydrophobicContact CG-CD1 4.39Å
307T75.2Confident68.6Low127 Ų127104.9 Ų104.978%0.77956%0.56SS**SBendtrans-84.3-26.5179.959.10000112.2I305 E311I305-T307 PolarHBondContact O-N 2.84Å; T307-E311 PolarHBondContact N-OE2 2.88Å; T307-E311 PolarHBondContact OG1-OE1 3.03Å; T307-E311 PolarHBondContact OG1-OE2 2.82Å
308D73.2Confident67.5Low80 Ų80103.5 Ų103.543%0.42855%0.552SS.*SBendtrans-128.9144.8171.6-175.713.8000110S310 E311D308-S310 PolarHBondContact O-N 3.3Å; D308-S310 VanDerWaalsContact O-N 3.13Å; D308-S310 PolarHBondContact OD1-N 3.38Å; D308-S310 WeakPolarHBondContact OD2-CB 3.45Å; D308-S310 PolarHBondContact OD2-OG 2.94Å; D308-E311 WeakPolarHBondContact O-CB 3.27Å; D308-E311 PolarHBondContact O-N 2.85Å
309I71.1Confident66.8Low82 Ų82104.2 Ų104.242%0.42155%0.554SS.*G310 helixtrans-59.3-25.6175.4-61168.2000110.5E311 L312 P334I309-E311 PolarHBondContact O-N 3.27Å; I309-L312 WeakPolarHBondContact O-CB 3.4Å; I309-L312 PolarHBondContact O-N 2.92Å; I309-P334 HydrophobicContact CG2-CG 4.14Å
310S67.3Low65.7Low50 Ų50110 Ų11035%0.3556%0.559SS.*G310 helixtrans-57-35.7173.5-53.10000112.6D308 L312 R313D308-S310 PolarHBondContact O-N 3.3Å; D308-S310 VanDerWaalsContact O-N 3.13Å; D308-S310 PolarHBondContact OD1-N 3.38Å; D308-S310 WeakPolarHBondContact OD2-CB 3.45Å; D308-S310 PolarHBondContact OD2-OG 2.94Å; S310-L312 VanDerWaalsContact C-N 3.31Å; S310-L312 PolarHBondContact O-N 3.11Å; S310-R313 VanDerWaalsContact O-CB 3.28Å; S310-R313 WeakPolarHBondContact O-CB 3.5Å; S310-R313 WeakPolarHBondContact O-CG 3.45Å; S310-R313 PolarHBondContact O-N 2.96Å
311E64.2Low64.3Low66 Ų66104.5 Ų104.531%0.30854%0.542SS..G310 helixtrans-71.1-24.5-179.5-61.9177.5161.100112.6P306 T307 D308 I309 R313 D314 I315P306-E311 WeakPolarHBondContact CA-OE2 3.39Å; P306-E311 HydrophobicContact CB-CB 4.14Å; T307-E311 PolarHBondContact N-OE2 2.88Å; T307-E311 PolarHBondContact OG1-OE1 3.03Å; T307-E311 PolarHBondContact OG1-OE2 2.82Å; D308-E311 WeakPolarHBondContact O-CB 3.27Å; D308-E311 PolarHBondContact O-N 2.85Å; I309-E311 PolarHBondContact O-N 3.27Å; E311-R313 PolarHBondContact O-N 3.09Å; E311-D314 PolarHBondContact O-N 3.07Å; E311-I315 PolarHBondContact O-N 2.86Å
312L61.8Low62.7Low86 Ų86104.9 Ų104.945%0.4554%0.542SS..Hα-helixtrans-67.5-19.7173.7-75166.5000112.6P306 I309 S310 D314 S316P306-L312 HydrophobicContact CB-CD2 4.5Å; P306-L312 HydrophobicContact CB-CG 4.14Å; P306-L312 HydrophobicContact CG-CD2 3.68Å; P306-L312 HydrophobicContact CG-CG 3.87Å; I309-L312 WeakPolarHBondContact O-CB 3.4Å; I309-L312 PolarHBondContact O-N 2.92Å; S310-L312 VanDerWaalsContact C-N 3.31Å; S310-L312 PolarHBondContact O-N 3.11Å; L312-D314 VanDerWaalsContact C-N 3.26Å; L312-D314 PolarHBondContact O-N 3.47Å; L312-S316 VanDerWaalsContact O-CB 3.31Å; L312-S316 WeakPolarHBondContact O-CB 3.3Å; L312-S316 PolarHBondContact O-N 2.77Å; L312-S316 PolarHBondContact O-OG 2.97Å
313R57.7Low61.1Low119 Ų119110 Ų11045%0.44955%0.547SS..Hα-helixtrans-69.9-27.6177.2-61.7-177.3172.1175.8-0.1112.2S310 E311S310-R313 VanDerWaalsContact O-CB 3.28Å; S310-R313 WeakPolarHBondContact O-CB 3.5Å; S310-R313 WeakPolarHBondContact O-CG 3.45Å; S310-R313 PolarHBondContact O-N 2.96Å; E311-R313 PolarHBondContact O-N 3.09Å
314D54.2Low59.3Low149 Ų149107.1 Ų107.180%0.79755%0.546SS*.Hα-helixtrans-88.8-26.2179.5-64.7-22.9000111.8E311 L312E311-D314 PolarHBondContact O-N 3.07Å; L312-D314 VanDerWaalsContact C-N 3.26Å; L312-D314 PolarHBondContact O-N 3.47Å
315I56.4Low57.4Low97 Ų97105.1 Ų105.150%0.49755%0.548SS..Hα-helixtrans-89.3-29.7-179.8-58.3167.6000112.1F304 P306 E311 T317F304-I315 HydrophobicContact CD1-CD1 3.89Å; F304-I315 HydrophobicContact CE1-CD1 3.95Å; P306-I315 HydrophobicContact CG-CD1 4.39Å; E311-I315 PolarHBondContact O-N 2.86Å; I315-T317 PolarHBondContact O-N 2.78Å
316S49.9Very low55.9Low56 Ų56106.1 Ų106.139%0.39255%0.553SS.*SBendtrans-67107.6177.149.50000109.6L312L312-S316 VanDerWaalsContact O-CB 3.31Å; L312-S316 WeakPolarHBondContact O-CB 3.3Å; L312-S316 PolarHBondContact O-N 2.77Å; L312-S316 PolarHBondContact O-OG 2.97Å
317T51.8Low54.5Low54 Ų54108.7 Ų108.733%0.33157%0.568SS.*  trans-39.8133.2170.749.80000109.5I315 V319I315-T317 PolarHBondContact O-N 2.78Å; T317-V319 PolarHBondContact O-N 2.81Å
318P46.9Very low52.9Low69 Ų69109.4 Ų109.445%0.44858%0.575SS.*THydrogen-bonded Turntrans-68.415.1-16926.2-35.6000114.7R322P318-R322 WeakPolarHBondContact O-CG 3.34Å; P318-R322 PolarHBondContact O-NE 2.66Å
319V48.9Very low51.8Low98 Ų98108.9 Ų108.959%0.59459%0.589SS**THydrogen-bonded Turntrans-90.3-29.2-169.1-1740000112.1T317T317-V319 PolarHBondContact O-N 2.81Å
320Y46.6Very low50.8Low178 Ų178110.6 Ų110.670%0.69860%0.603SS**THydrogen-bonded Turntrans-101.7-28.6-179.5-78.1-80.8000114.7
321S46.2Very low50Low76 Ų76118.9 Ų118.953%0.53163%0.627SS.*G310 helixtrans-81.9-15.5-175.8-65.20000114.9H323S321-H323 VanDerWaalsContact C-N 3.32Å; S321-H323 PolarHBondContact O-N 3.16Å
322R43.9Very low49.7Very low189 Ų189120.2 Ų120.271%0.71364%0.643SS**G310 helixtrans-75.4-14.9-174.7-74.6-170.8-149.8-1563.6114.9P318P318-R322 WeakPolarHBondContact O-CG 3.34Å; P318-R322 PolarHBondContact O-NE 2.66Å
323H45.4Very low49.7Very low177 Ų177121.1 Ų121.182%0.81965%0.645SS**G310 helixtrans-104.18.8-172.1-99-78.2000115.7S321S321-H323 VanDerWaalsContact C-N 3.32Å; S321-H323 PolarHBondContact O-N 3.16Å
324M47.9Very low50.4Low184 Ų184120 Ų12091%0.90665%0.653SS**SBendtrans-126.57.1179.7-112.9-143.9168.100117.4
325S41.3Very low51.5Low87 Ų87120.9 Ų120.961%0.60865%0.653SS**  trans-122.789.9173.641.10000111.5T327S325-T327 PolarHBondContact O-N 2.89Å
326I48Very low53.1Low165 Ų165121.1 Ų121.185%0.84666%0.661SS**  trans-810.3173.5-66.6175.3000111.6
327T46.2Very low55.1Low93 Ų93124.3 Ų124.357%0.57168%0.68SS**SBendtrans-128.2111.5178.634.40000111.6S325 G329S325-T327 PolarHBondContact O-N 2.89Å; T327-G329 PolarHBondContact O-N 3.1Å
328P42.6Very low57.1Low142 Ų142129.2 Ų129.292%0.92270%0.704SS**THydrogen-bonded Turntrans-69.8104.7172.328.1-29.1000108.2
329G49.9Very low59.4Low70 Ų70131.2 Ų131.272%0.72271%0.71SS**THydrogen-bonded Turntrans147-20.5170.600000117T327 R331T327-G329 PolarHBondContact O-N 3.1Å; G329-R331 PolarHBondContact O-N 3.06Å
330V49.8Very low61.5Low118 Ų118129.4 Ų129.472%0.71570%0.7SS**  trans-95.891.8178.8-172.80000109.4S332V330-S332 PolarHBondContact O-N 2.94Å; V330-S332 VanDerWaalsContact O-N 3.08Å
331R50.4Low63.9Low223 Ų223125.3 Ų125.384%0.84270%0.695SS**  trans-72.187.8172.3-63.5176.6179-170-0.4109.1G329G329-R331 PolarHBondContact O-N 3.06Å
332S57.4Low66.1Low94 Ų94125.5 Ų125.566%0.65769%0.687SS**  trans-84.9129.8163.650.40000109.3V330V330-S332 PolarHBondContact O-N 2.94Å; V330-S332 VanDerWaalsContact O-N 3.08Å
333Q62.9Low68.4Low106 Ų106118 Ų11850%0.49566%0.661SS.*  trans-59.1136.4163.7-73-70.5-8.500107.6Q335Q333-Q335 PolarHBondContact O-N 3.25Å
334P70.9Confident70.6Confident95 Ų95115.6 Ų115.662%0.61765%0.654SS**  trans-61.9112.9177.325.1-31.4000108.7I309I309-P334 HydrophobicContact CG2-CG 4.14Å
335Q78.9Confident72.1Confident168 Ų168112 Ų11279%0.78564%0.635SS**PPolyproline II helixtrans-74.4138.2174.2-168.8174.628.200108.6Q333Q333-Q335 PolarHBondContact O-N 3.25Å
336P88.6Confident73.9Confident102 Ų102108.4 Ų108.466%0.66261%0.611SS**PPolyproline II helixtrans-57.1147.2173.524.1-34.8000110.6
337P92.4Very high75.6Confident123 Ų123101.1 Ų101.180%0.79957%0.574SS**PPolyproline II helixtrans-61.2144.3179.626.4-34000110.7
338L94Very high77.4Confident157 Ų157100.3 Ų100.382%0.82257%0.565SS**PPolyproline II helixtrans-62.7139.8173.3-64.7174.6000109.9P340L338-P340 VanDerWaalsContact O-CD 3.3Å; L338-P340 WeakPolarHBondContact O-CD 3.29Å
339L94.2Very high79.5Confident111 Ų11199.7 Ų99.758%0.58156%0.555SS**PPolyproline II helixtrans-61.3121.3178.1-179.768.5000109.9L343 L344L339-L343 HydrophobicContact CD1-CB 4.21Å; L339-L343 HydrophobicContact CD1-CD1 3.83Å; L339-L344 HydrophobicContact CD2-CD2 3.67Å; L339-L344 HydrophobicContact CD2-CG 4.2Å
340P94.6Very high81.1Confident60 Ų60101.8 Ų101.839%0.3955%0.547SS..PPolyproline II helixtrans-60.1127.6174.6-23.834.5000110.2L338 H342 L343L338-P340 VanDerWaalsContact O-CD 3.3Å; L338-P340 WeakPolarHBondContact O-CD 3.29Å; P340-H342 PolarHBondContact O-N 2.74Å; P340-L343 HydrophobicContact CB-CG 4.47Å; P340-L343 PolarHBondContact O-N 3.15Å
341P95.2Very high82.6Confident91 Ų91104.1 Ų104.159%0.59156%0.556SS**G310 helixtrans-61.7-23.4-174.223.1-34000113.1L343 L344P341-L343 PolarHBondContact O-N 3.19Å; P341-L344 WeakPolarHBondContact O-CB 3.18Å; P341-L344 PolarHBondContact O-N 2.99Å; P341-L344 VanDerWaalsContact O-N 3.12Å
342H92.8Very high84.1Confident80 Ų8096.4 Ų96.437%0.3753%0.533SS..G310 helixtrans-56.9-34.2174.1-60.696.2000113P340 L344 Q345 V367 I368P340-H342 PolarHBondContact O-N 2.74Å; H342-L344 PolarHBondContact O-N 2.96Å; H342-Q345 WeakPolarHBondContact O-CB 3.37Å; H342-Q345 PolarHBondContact O-N 2.9Å; H342-Q345 VanDerWaalsContact O-N 3.12Å; H342-V367 HydrophobicContact CB-CG1 4.43Å; H342-I368 VanDerWaalsContact O-CG2 3.23Å; H342-I368 WeakPolarHBondContact O-CG2 3.41Å
343L92.7Very high85.1Confident31 Ų3195.3 Ų95.316%0.16253%0.525CS..G310 helixtrans-69.6-16.5-178.9-60.6-173.7000112.9L339 P340 P341 Q345 I368 H371 Y373L339-L343 HydrophobicContact CD1-CB 4.21Å; L339-L343 HydrophobicContact CD1-CD1 3.83Å; P340-L343 HydrophobicContact CB-CG 4.47Å; P340-L343 PolarHBondContact O-N 3.15Å; P341-L343 PolarHBondContact O-N 3.19Å; L343-Q345 VanDerWaalsContact C-N 3.27Å; L343-I368 HydrophobicContact CD2-CG2 4.13Å; L343-H371 HydrophobicContact CD2-CB 4.42Å; L343-Y373 WeakPolarHBondContact O-CE1 3.34Å; L343-Y373 PolarHBondContact O-OH 3.16Å
344L91.6Very high86Confident128 Ų12895.2 Ų95.267%0.6754%0.543SS*.G310 helixtrans-76.9-14.5175.4-58.7173.6000112.6L339 P341 H342 G346L339-L344 HydrophobicContact CD2-CD2 3.67Å; L339-L344 HydrophobicContact CD2-CG 4.2Å; P341-L344 WeakPolarHBondContact O-CB 3.18Å; P341-L344 PolarHBondContact O-N 2.99Å; P341-L344 VanDerWaalsContact O-N 3.12Å; H342-L344 PolarHBondContact O-N 2.96Å; L344-G346 PolarHBondContact O-N 3.04Å
345Q79.5Confident86.7Confident109 Ų10999.6 Ų99.651%0.50956%0.555SS.*  trans-76.984.9176.2-62.6177.8-7.400109.6H342 L343 I347H342-Q345 WeakPolarHBondContact O-CB 3.37Å; H342-Q345 PolarHBondContact O-N 2.9Å; H342-Q345 VanDerWaalsContact O-N 3.12Å; L343-Q345 VanDerWaalsContact C-N 3.27Å; Q345-I347 PolarHBondContact O-N 2.94Å
346G79.4Confident87Confident10 Ų1095 Ų9510%0.10354%0.54CS..  trans-71.9104.7171.900000110.1L344 L348 N349L344-G346 PolarHBondContact O-N 3.04Å; G346-L348 PolarHBondContact O-N 3.13Å; G346-N349 WeakPolarHBondContact O-CA 3.44Å; G346-N349 VanDerWaalsContact O-CB 3.28Å; G346-N349 WeakPolarHBondContact O-CB 3.44Å; G346-N349 PolarHBondContact O-N 3.08Å
347I83.6Confident87Confident13 Ų1394 Ų947%0.06753%0.529CS..G310 helixtrans-57.2-33.6-179.1-101.6-180000113.2Q345 N349 M350 L361 P362 P364 I368 I387Q345-I347 PolarHBondContact O-N 2.94Å; I347-N349 PolarHBondContact O-N 2.96Å; I347-M350 WeakPolarHBondContact O-CB 3.22Å; I347-M350 PolarHBondContact O-N 2.77Å; I347-M350 VanDerWaalsContact O-N 3.14Å; I347-L361 HydrophobicContact CG2-CB 4.16Å; I347-L361 HydrophobicContact CG2-CD1 3.92Å; I347-L361 HydrophobicContact CG2-CD2 4.33Å; I347-L361 HydrophobicContact CG2-CG 4.37Å; I347-P362 HydrophobicContact CG1-CG 4.35Å; I347-P364 HydrophobicContact CD1-CB 3.52Å; I347-P364 HydrophobicContact CD1-CG 4.43Å; I347-I368 HydrophobicContact CD1-CD1 3.83Å; I347-I368 HydrophobicContact CG1-CD1 4.09Å; I347-I387 HydrophobicContact CB-CD1 3.97Å; I347-I387 HydrophobicContact CD1-CD1 4.03Å; I347-I387 HydrophobicContact CG1-CD1 4.5Å; I347-I387 HydrophobicContact CG2-CD1 4.13Å
348L83.8Confident86.9Confident75 Ų7593.1 Ų93.139%0.39352%0.523SS..G310 helixtrans-71.2-12.2176.5-60.1-177.7000113.1G346 L361 S385 L398G346-L348 PolarHBondContact O-N 3.13Å; L348-L361 HydrophobicContact CD2-CD1 3.7Å; L348-L361 HydrophobicContact CD2-CD2 4.21Å; L348-S385 VanDerWaalsContact CD1-OG 3.27Å; L348-S385 WeakPolarHBondContact CD1-OG 3.37Å; L348-L398 HydrophobicContact CD1-CD1 3.86Å; L348-L398 HydrophobicContact CD1-CD2 4.3Å; L348-L398 HydrophobicContact CD1-CG 4.16Å; L348-L398 HydrophobicContact CD2-CD1 4.37Å
349N86.3Confident86.7Confident130 Ų13091.4 Ų91.470%0.69552%0.515SS*.G310 helixtrans-93.6-0.8173.9-57.9-22.2000112.2G346 I347G346-N349 WeakPolarHBondContact O-CA 3.44Å; G346-N349 VanDerWaalsContact O-CB 3.28Å; G346-N349 WeakPolarHBondContact O-CB 3.44Å; G346-N349 PolarHBondContact O-N 3.08Å; I347-N349 PolarHBondContact O-N 2.96Å
350M84Confident86.5Confident113 Ų11391.1 Ų91.156%0.55751%0.514SS*.SBendtrans-87.1136.7176.2-60-153.582.500110.2I347 T352 P362I347-M350 WeakPolarHBondContact O-CB 3.22Å; I347-M350 PolarHBondContact O-N 2.77Å; I347-M350 VanDerWaalsContact O-N 3.14Å; M350-T352 PolarHBondContact O-N 3.32Å; M350-P362 HydrophobicContact CB-CG 4.42Å; M350-P362 HydrophobicContact SD-CG 4.34Å
351D81.3Confident86.4Confident168 Ų16891.5 Ų91.590%0.89851%0.512SS*.PPolyproline II helixtrans-72.3127.6175-63.9-43000110.4
352T81.5Confident86.2Confident61 Ų6189.8 Ų89.837%0.37450%0.501SS..PPolyproline II helixtrans-90.1143.3168.151.10000109.3M350 A354 L360 L361M350-T352 PolarHBondContact O-N 3.32Å; T352-A354 PolarHBondContact O-N 2.88Å; T352-L360 VanDerWaalsContact CG2-O 3.26Å; T352-L360 WeakPolarHBondContact CG2-O 3.43Å; T352-L361 HydrophobicContact CG2-CD2 4.48Å
353S79.4Confident86.1Confident70 Ų7093.9 Ų93.949%0.4952%0.52SS..PPolyproline II helixtrans-59.5138.2177.753.30000111.1H355 C356S353-H355 PolarHBondContact O-N 3.48Å; S353-C356 PolarHBondContact O-N 3.29Å; S353-C356 VanDerWaalsContact O-N 3.08Å; S353-C356 PolarHBondContact OG-SG 3.37Å
354A81.2Confident86.1Confident104 Ų10493 Ų9386%0.8652%0.516SS*.THydrogen-bonded Turntrans-63.2-11.4-17800000114.4T352T352-A354 PolarHBondContact O-N 2.88Å
355H85.9Confident86.2Confident188 Ų18889.6 Ų89.687%0.8750%0.499SS*.THydrogen-bonded Turntrans-94-5.2179-62.9-62.5000113.9S353S353-H355 PolarHBondContact O-N 3.48Å
356C84.1Confident86.9Confident70 Ų7090.5 Ų90.547%0.47350%0.503SS..SBendtrans-99.4161.6178.3-69.80000111.7S353S353-C356 PolarHBondContact O-N 3.29Å; S353-C356 VanDerWaalsContact O-N 3.08Å; S353-C356 PolarHBondContact OG-SG 3.37Å
357D90.1Very high87.7Confident82 Ų8292.5 Ų92.544%0.43951%0.513SS..  trans-59.1127.5172.3174-5.9000109.8N359 L360D357-N359 PolarHBondContact O-N 3.1Å; D357-N359 VanDerWaalsContact O-N 3.08Å; D357-N359 WeakPolarHBondContact OD1-CB 3.37Å; D357-N359 PolarHBondContact OD1-N 2.94Å; D357-N359 PolarHBondContact OD1-ND2 2.9Å; D357-L360 HydrophobicContact CB-CD1 3.89Å; D357-L360 HydrophobicContact CB-CG 3.93Å; D357-L360 WeakPolarHBondContact O-CB 3.36Å; D357-L360 PolarHBondContact O-N 2.86Å
358P89.3Confident88.1Confident104 Ų10492 Ų9268%0.67551%0.51SS*.THydrogen-bonded Turntrans-61.7-16.1-17826.1-37.1000114.3L360P358-L360 VanDerWaalsContact C-N 3.33Å
359N89.8Confident88.6Confident122 Ų12289.2 Ų89.265%0.65250%0.496SS*.THydrogen-bonded Turntrans-84.1-8.8175.8-57.7-67.4000113.2D357D357-N359 PolarHBondContact O-N 3.1Å; D357-N359 VanDerWaalsContact O-N 3.08Å; D357-N359 WeakPolarHBondContact OD1-CB 3.37Å; D357-N359 PolarHBondContact OD1-N 2.94Å; D357-N359 PolarHBondContact OD1-ND2 2.9Å
360L91.5Very high89.1Confident105 Ų10589 Ų8955%0.5550%0.495SS..  trans-86.7125.8178.1-64.4177.3000110.3T352 D357 P358T352-L360 VanDerWaalsContact CG2-O 3.26Å; T352-L360 WeakPolarHBondContact CG2-O 3.43Å; D357-L360 HydrophobicContact CB-CD1 3.89Å; D357-L360 HydrophobicContact CB-CG 3.93Å; D357-L360 WeakPolarHBondContact O-CB 3.36Å; D357-L360 PolarHBondContact O-N 2.86Å; P358-L360 VanDerWaalsContact C-N 3.33Å
361L91Very high89.6Confident68 Ų6887.1 Ų87.136%0.35649%0.485SS..  trans-110.1154.5175.3-66172.6000109.9I347 L348 T352 S396I347-L361 HydrophobicContact CG2-CB 4.16Å; I347-L361 HydrophobicContact CG2-CD1 3.92Å; I347-L361 HydrophobicContact CG2-CD2 4.33Å; I347-L361 HydrophobicContact CG2-CG 4.37Å; L348-L361 HydrophobicContact CD2-CD1 3.7Å; L348-L361 HydrophobicContact CD2-CD2 4.21Å; T352-L361 HydrophobicContact CG2-CD2 4.48Å; L361-S396 WeakPolarHBondContact CD1-OG 3.31Å
362P91.1Very high90.3Very high55 Ų5584.6 Ų84.636%0.35747%0.471SS..PPolyproline II helixtrans-59.4154.2170.526.6-34.9000111I347 M350 P364I347-P362 HydrophobicContact CG1-CG 4.35Å; M350-P362 HydrophobicContact CB-CG 4.42Å; M350-P362 HydrophobicContact SD-CG 4.34Å; P362-P364 WeakPolarHBondContact O-CD 3.45Å
363Q91.7Very high90.9Very high166 Ų16684 Ų8478%0.77646%0.462SS*.PPolyproline II helixtrans-63.8125.3178.5-178.3177-14.900110.8F394Q363-F394 HydrophobicContact CG-CD2 4.41Å; Q363-F394 HydrophobicContact CG-CE2 4.11Å
364P93Very high91.6Very high11 Ų1183.9 Ų83.97%0.07147%0.465CS..PPolyproline II helixtrans-68.1149.6176.127.6-35.1000113.2I347 P362 I368 V369 I387 F394I347-P364 HydrophobicContact CD1-CB 3.52Å; I347-P364 HydrophobicContact CD1-CG 4.43Å; P362-P364 WeakPolarHBondContact O-CD 3.45Å; P364-I368 HydrophobicContact CB-CD1 3.9Å; P364-I368 HydrophobicContact CB-CG1 4.02Å; P364-V369 HydrophobicContact CB-CG2 4.43Å; P364-V369 HydrophobicContact CG-CG2 4.44Å; P364-I387 HydrophobicContact CB-CD1 4.33Å; P364-I387 HydrophobicContact CB-CG2 4.25Å; P364-I387 HydrophobicContact CG-CG2 4.01Å; P364-F394 HydrophobicContact CG-CB 3.71Å; P364-F394 HydrophobicContact CG-CD1 3.39Å; P364-F394 HydrophobicContact CG-CD2 3.77Å; P364-F394 HydrophobicContact CG-CE1 3.87Å; P364-F394 HydrophobicContact CG-CE2 4.21Å; P364-F394 HydrophobicContact CG-CG 3.32Å; P364-F394 HydrophobicContact CG-CZ 4.25Å
365N93.1Very high92.2Very high57 Ų5784 Ų8431%0.30545%0.451SS..PPolyproline II helixtrans-66.5135.9158.5-168.5-25.3000108.9V367 I368N365-V367 PolarHBondContact O-N 3.08Å; N365-V367 PolarHBondContact OD1-N 2.79Å; N365-I368 WeakPolarHBondContact O-CG1 3.39Å; N365-I368 PolarHBondContact O-N 2.88Å; N365-I368 VanDerWaalsContact O-N 3.09Å
366H94.5Very high92.5Very high129 Ų12980 Ų8060%0.59744%0.444SS*.G310 helixtrans-56.9-25179.671.3-74.1000113.6I368 V369H366-I368 VanDerWaalsContact C-N 3.34Å; H366-I368 PolarHBondContact O-N 3Å; H366-V369 WeakPolarHBondContact O-CB 3.14Å; H366-V369 PolarHBondContact O-N 2.98Å
367V94.9Very high92.9Very high51 Ų5181.8 Ų81.831%0.30945%0.448SS..G310 helixtrans-70.2-25.2179.6-176.80000113.1H342 N365 H371H342-V367 HydrophobicContact CB-CG1 4.43Å; N365-V367 PolarHBondContact O-N 3.08Å; N365-V367 PolarHBondContact OD1-N 2.79Å; V367-H371 PolarHBondContact O-CD2 2.86Å; V367-H371 PolarHBondContact O-NE2 2.88Å; V367-H371 VanDerWaalsContact O-NE2 3.11Å
368I93.7Very high93Very high2 Ų285 Ų851%0.0146%0.458CS..G310 helixtrans-90.4-7.7178.662.6163000112.9H342 L343 I347 P364 N365 H366 H371 I387H342-I368 VanDerWaalsContact O-CG2 3.23Å; H342-I368 WeakPolarHBondContact O-CG2 3.41Å; L343-I368 HydrophobicContact CD2-CG2 4.13Å; I347-I368 HydrophobicContact CD1-CD1 3.83Å; I347-I368 HydrophobicContact CG1-CD1 4.09Å; P364-I368 HydrophobicContact CB-CD1 3.9Å; P364-I368 HydrophobicContact CB-CG1 4.02Å; N365-I368 WeakPolarHBondContact O-CG1 3.39Å; N365-I368 PolarHBondContact O-N 2.88Å; N365-I368 VanDerWaalsContact O-N 3.09Å; H366-I368 VanDerWaalsContact C-N 3.34Å; H366-I368 PolarHBondContact O-N 3Å; I368-H371 WeakPolarHBondContact O-CB 3.37Å; I368-H371 PolarHBondContact O-N 3.01Å; I368-I387 HydrophobicContact CD1-CD1 3.84Å; I368-I387 HydrophobicContact CG1-CD1 4.48Å
369V94.2Very high93.1Very high18 Ų1886.8 Ų86.811%0.10946%0.462CS..THydrogen-bonded Turntrans-68.8140.2178.6-179.40000109.2P364 H366 H371 I387 R389 F394P364-V369 HydrophobicContact CB-CG2 4.43Å; P364-V369 HydrophobicContact CG-CG2 4.44Å; H366-V369 WeakPolarHBondContact O-CB 3.14Å; H366-V369 PolarHBondContact O-N 2.98Å; V369-H371 PolarHBondContact O-N 3.17Å; V369-I387 WeakPolarHBondContact CG1-O 3.19Å; V369-I387 HydrophobicContact CG2-CG2 4.43Å; V369-R389 HydrophobicContact CG1-CB 4.21Å; V369-F394 HydrophobicContact CG2-CD1 4.05Å; V369-F394 HydrophobicContact CG2-CE1 3.87Å
370N95.1Very high93.3Very high124 Ų12482.9 Ų82.966%0.66345%0.45SS*.THydrogen-bonded Turntrans66.58.7-174.6-50.4-36.6000115.5I387N370-I387 PolarHBondContact N-O 2.82Å
371H95.4Very high93.5Very high75 Ų7580 Ų8035%0.34744%0.437SS..  trans-85.4139.5167.5-71.6-91.7000111.1L343 V367 I368 V369 Y373L343-H371 HydrophobicContact CD2-CB 4.42Å; V367-H371 PolarHBondContact O-CD2 2.86Å; V367-H371 PolarHBondContact O-NE2 2.88Å; V367-H371 VanDerWaalsContact O-NE2 3.11Å; I368-H371 WeakPolarHBondContact O-CB 3.37Å; I368-H371 PolarHBondContact O-N 3.01Å; V369-H371 PolarHBondContact O-N 3.17Å; H371-Y373 HydrophobicContact CB-CE2 4.21Å
372L95.1Very high93.7Very high114 Ų11478.3 Ų78.360%0.59743%0.429SS*.EExtended strand (participates in β ladder)trans-84.4123.4177.7-17669.7000110.4L384 V386L372-L384 HydrophobicContact CD1-CB 4.09Å; L372-L384 HydrophobicContact CD1-CD1 4.47Å; L372-L384 HydrophobicContact CD1-CD2 4.34Å; L372-L384 HydrophobicContact CD2-CD2 4.45Å; L372-V386 HydrophobicContact CD1-CG2 3.54Å
373Y94.9Very high93.9Very high48 Ų4876.6 Ų76.619%0.18842%0.418CS..EExtended strand (participates in β ladder)trans-106.1147.2168.3-65.7-88.5000109.2L343 H371 L384 S385L343-Y373 WeakPolarHBondContact O-CE1 3.34Å; L343-Y373 PolarHBondContact O-OH 3.16Å; H371-Y373 HydrophobicContact CB-CE2 4.21Å; Y373-L384 CarbonylContact O-C 3.56Å; Y373-S385 PolarHBondContact N-O 2.84Å; Y373-S385 PolarHBondContact O-N 2.81Å
374A94.2Very high94.1Very high69 Ų6971.3 Ų71.357%0.5739%0.394SS*.EExtended strand (participates in β ladder)trans-141.1143.6178.800000110.3V383 L384A374-V383 WeakPolarHBondContact CA-O 3.33Å; A374-L384 HydrophobicContact CB-CD2 3.74Å
375L93.2Very high94.1Very high105 Ų10571.1 Ų71.155%0.5539%0.394SS..PPolyproline II helixtrans-83.4154.5164.5-64.8175.7000109.6I377 V383L375-I377 PolarHBondContact O-N 3.23Å; L375-V383 HydrophobicContact CB-CB 4.18Å; L375-V383 HydrophobicContact CD1-CB 4.09Å; L375-V383 HydrophobicContact CD1-CG1 4.12Å; L375-V383 HydrophobicContact CD1-CG2 4.42Å; L375-V383 HydrophobicContact CG-CB 4.38Å; L375-V383 PolarHBondContact N-O 3.01Å
376S93.6Very high94.3Very high105 Ų10570.4 Ų70.473%0.73439%0.391SS*.PPolyproline II helixtrans-59.7130.5170-63.30000109.5K378S376-K378 PolarHBondContact O-N 3.02Å
377I92.6Very high94.3Very high108 Ų10864.4 Ų64.455%0.55436%0.363SS*.PPolyproline II helixtrans-55.3130.3-179.4-62.1167.5000109.5L375 V382 I403L375-I377 PolarHBondContact O-N 3.23Å; I377-V382 HydrophobicContact CD1-CG2 4.2Å; I377-V382 HydrophobicContact CG1-CG2 4.11Å; I377-I403 HydrophobicContact CB-CD1 4.48Å; I377-I403 HydrophobicContact CD1-CD1 3.76Å; I377-I403 HydrophobicContact CG1-CD1 4.18Å; I377-I403 HydrophobicContact CG2-CD1 3.5Å; I377-I403 VanDerWaalsContact CG2-CD1 3.5Å
378K91.7Very high94.4Very high150 Ų15064.6 Ų64.665%0.65237%0.365SS*.BIsolated β-bridgetrans-143.5140-179.9-165-171.8169.6-169.50109.6S376 G380 V381S376-K378 PolarHBondContact O-N 3.02Å; K378-G380 PolarHBondContact O-N 3.04Å; K378-G380 VanDerWaalsContact O-N 3.16Å; K378-V381 PolarHBondContact N-O 3.24Å; K378-V381 PolarHBondContact O-N 2.92Å
379D92.2Very high94.5Very high141 Ų14171.8 Ų71.875%0.75439%0.392SS*.THydrogen-bonded Turntrans54.235.4175.3-51.5-36.8000113.9V381D379-V381 VanDerWaalsContact C-N 3.3Å; D379-V381 PolarHBondContact O-N 3.27Å
380G92.6Very high94.6Very high39 Ų3977.6 Ų77.640%0.40242%0.416SS..THydrogen-bonded Turntrans73.715.3179.400000114.7K378 P402 I403K378-G380 PolarHBondContact O-N 3.04Å; K378-G380 VanDerWaalsContact O-N 3.16Å; G380-P402 CarbonylContact O-C 3.5Å; G380-P402 WeakPolarHBondContact O-CA 3.41Å; G380-I403 PolarHBondContact O-N 3.29Å
381V95.4Very high94.5Very high44 Ų4481.6 Ų81.627%0.26742%0.422SS..EExtended strand (participates in β ladder)trans-120.2131.6-179-177.50000110.9K378 D379 V383 Y400K378-V381 PolarHBondContact N-O 3.24Å; K378-V381 PolarHBondContact O-N 2.92Å; D379-V381 VanDerWaalsContact C-N 3.3Å; D379-V381 PolarHBondContact O-N 3.27Å; V381-V383 HydrophobicContact CG1-CG2 4.37Å; V381-Y400 HydrophobicContact CG1-CD1 4.18Å
382V95.5Very high94.5Very high34 Ų3485.2 Ų85.221%0.20644%0.439CS..EExtended strand (participates in β ladder)trans-89.1133164.2-171.10000108.5I377 L384 Y400 K401 I403I377-V382 HydrophobicContact CD1-CG2 4.2Å; I377-V382 HydrophobicContact CG1-CG2 4.11Å; V382-L384 HydrophobicContact CG1-CD1 4.48Å; V382-L384 HydrophobicContact CG1-CD2 3.62Å; V382-L384 HydrophobicContact CG1-CG 3.77Å; V382-Y400 WeakPolarHBondContact O-CA 3.47Å; V382-K401 PolarHBondContact N-O 3.33Å; V382-K401 PolarHBondContact O-N 2.91Å; V382-I403 HydrophobicContact CG2-CD1 3.39Å; V382-I403 HydrophobicContact CG2-CG1 3.42Å; V382-I403 VanDerWaalsContact CG2-CG1 3.42Å
383V95.1Very high94.6Very high18 Ų1887.2 Ų87.211%0.10944%0.443CS..EExtended strand (participates in β ladder)trans-114.4115.5169.2-169.40000108.6A374 L375 V381 F399 Y400A374-V383 WeakPolarHBondContact CA-O 3.33Å; L375-V383 HydrophobicContact CB-CB 4.18Å; L375-V383 HydrophobicContact CD1-CB 4.09Å; L375-V383 HydrophobicContact CD1-CG1 4.12Å; L375-V383 HydrophobicContact CD1-CG2 4.42Å; L375-V383 HydrophobicContact CG-CB 4.38Å; L375-V383 PolarHBondContact N-O 3.01Å; V381-V383 HydrophobicContact CG1-CG2 4.37Å; V383-F399 WeakPolarHBondContact CA-O 3.37Å; V383-Y400 HydrophobicContact CB-CD1 4.36Å; V383-Y400 HydrophobicContact CB-CE1 4.2Å; V383-Y400 HydrophobicContact CG1-CD1 4.13Å; V383-Y400 HydrophobicContact CG1-CD2 4.33Å; V383-Y400 HydrophobicContact CG1-CE1 3.74Å; V383-Y400 HydrophobicContact CG1-CE2 3.95Å; V383-Y400 HydrophobicContact CG1-CG 4.4Å; V383-Y400 HydrophobicContact CG2-CD1 3.47Å; V383-Y400 VanDerWaalsContact CG2-CD1 3.47Å; V383-Y400 HydrophobicContact CG2-CE1 3.37Å; V383-Y400 HydrophobicContact CG2-CG 4.31Å
384L95.4Very high94.6Very high55 Ų5588 Ų8829%0.28845%0.447SS..EExtended strand (participates in β ladder)trans-109147.6176.3-60.1-179.2000109.5L372 Y373 A374 V382 L398 F399L372-L384 HydrophobicContact CD1-CB 4.09Å; L372-L384 HydrophobicContact CD1-CD1 4.47Å; L372-L384 HydrophobicContact CD1-CD2 4.34Å; L372-L384 HydrophobicContact CD2-CD2 4.45Å; Y373-L384 CarbonylContact O-C 3.56Å; A374-L384 HydrophobicContact CB-CD2 3.74Å; V382-L384 HydrophobicContact CG1-CD1 4.48Å; V382-L384 HydrophobicContact CG1-CD2 3.62Å; V382-L384 HydrophobicContact CG1-CG 3.77Å; L384-L398 CarbonylContact O-C 3.58Å; L384-L398 VanDerWaalsContact O-CA 3.31Å; L384-L398 WeakPolarHBondContact O-CA 3.43Å; L384-F399 PolarHBondContact N-O 2.78Å; L384-F399 PolarHBondContact O-N 3.01Å
385S94.5Very high94.7Very high8 Ų888 Ų886%0.05644%0.44CS..EExtended strand (participates in β ladder)trans-136.5138.2174.5176.80000110.8L348 Y373 T397L348-S385 VanDerWaalsContact CD1-OG 3.27Å; L348-S385 WeakPolarHBondContact CD1-OG 3.37Å; Y373-S385 PolarHBondContact N-O 2.84Å; Y373-S385 PolarHBondContact O-N 2.81Å; S385-T397 VanDerWaalsContact CA-O 3.27Å; S385-T397 WeakPolarHBondContact CA-O 3.44Å
386V95.7Very high94.7Very high41 Ų4184.5 Ų84.525%0.24842%0.424CS..EExtended strand (participates in β ladder)trans-135.7136.8172.1-176.30000109L372 T388 T397L372-V386 HydrophobicContact CD1-CG2 3.54Å; V386-T388 HydrophobicContact CG1-CG2 3.95Å; V386-T397 PolarHBondContact N-O 3.08Å; V386-T397 VanDerWaalsContact N-O 3.09Å; V386-T397 PolarHBondContact O-N 3.29Å
387I95.3Very high94.8Very high3 Ų383.1 Ų83.12%0.01541%0.412CS..EExtended strand (participates in β ladder)trans-92.4119.1169.9-51.8-179.1000107.6I347 P364 I368 V369 N370 F394I347-I387 HydrophobicContact CB-CD1 3.97Å; I347-I387 HydrophobicContact CD1-CD1 4.03Å; I347-I387 HydrophobicContact CG1-CD1 4.5Å; I347-I387 HydrophobicContact CG2-CD1 4.13Å; P364-I387 HydrophobicContact CB-CD1 4.33Å; P364-I387 HydrophobicContact CB-CG2 4.25Å; P364-I387 HydrophobicContact CG-CG2 4.01Å; I368-I387 HydrophobicContact CD1-CD1 3.84Å; I368-I387 HydrophobicContact CG1-CD1 4.48Å; V369-I387 WeakPolarHBondContact CG1-O 3.19Å; V369-I387 HydrophobicContact CG2-CG2 4.43Å; N370-I387 PolarHBondContact N-O 2.82Å; I387-F394 HydrophobicContact CG2-CB 4.38Å
388T96.5Very high95Very high55 Ų5581.5 Ų81.534%0.33740%0.403SS..EExtended strand (participates in β ladder)trans-115.1152.9176.1620000110.3V386 F394 V395V386-T388 HydrophobicContact CG1-CG2 3.95Å; T388-F394 WeakPolarHBondContact O-CA 3.5Å; T388-V395 PolarHBondContact N-O 2.87Å; T388-V395 PolarHBondContact O-N 2.82Å; T388-V395 PolarHBondContact OG1-O 2.94Å
389R96.1Very high95.1Very high154 Ų15479.9 Ų79.958%0.58140%0.397SS*.EExtended strand (participates in β ladder)trans-105.2124177.6-177.3-177.8172.9-170.20.5109.9V369 R391 K393 F394V369-R389 HydrophobicContact CG1-CB 4.21Å; R389-R391 PolarHBondContact NE-O 3Å; R389-R391 PolarHBondContact NH2-O 3.09Å; R389-K393 CarbonylContact C-O 3.57Å; R389-K393 WeakPolarHBondContact CA-O 3.33Å; R389-F394 HydrophobicContact CB-CD1 3.96Å; R389-F394 HydrophobicContact CB-CE1 3.95Å; R389-F394 HydrophobicContact CG-CD1 4.11Å; R389-F394 HydrophobicContact CG-CE1 3.82Å; R389-F394 HydrophobicContact CG-CZ 4.41Å
390F95.9Very high95.3Very high140 Ų14080 Ų8061%0.61439%0.388SS*.EExtended strand (participates in β ladder)trans-112.3105.9169.3-178.1-100.9000109.8Q392 K393F390-Q392 PolarHBondContact O-N 3.3Å; F390-K393 PolarHBondContact N-O 3.3Å; F390-K393 PolarHBondContact O-N 2.93Å
391R94.4Very high95.4Very high207 Ų20784 Ų8478%0.78139%0.394SS*.THydrogen-bonded Turntrans53.6-104.8-172.7-60.2-176.4173.4-174.7-0.7112.3R389R389-R391 PolarHBondContact NE-O 3Å; R389-R391 PolarHBondContact NH2-O 3.09Å
392Q95.4Very high95.4Very high151 Ų15186.4 Ų86.471%0.70641%0.41SS*.THydrogen-bonded Turntrans-105.31.4179.4-67.9178.7-11.700112.8F390F390-Q392 PolarHBondContact O-N 3.3Å
393K95.4Very high95.1Very high157 Ų15788.4 Ų88.468%0.68342%0.419SS*.EExtended strand (participates in β ladder)trans-106.4153.3-179.6-59.2-173.1179-172.50110.5R389 F390R389-K393 CarbonylContact C-O 3.57Å; R389-K393 WeakPolarHBondContact CA-O 3.33Å; F390-K393 PolarHBondContact N-O 3.3Å; F390-K393 PolarHBondContact O-N 2.93Å
394F96.2Very high94.5Very high63 Ų6396.7 Ų96.728%0.27646%0.457SS..EExtended strand (participates in β ladder)trans-114.9139.5173.4-60.1-84.6000109.3Q363 P364 V369 I387 T388 R389Q363-F394 HydrophobicContact CG-CD2 4.41Å; Q363-F394 HydrophobicContact CG-CE2 4.11Å; P364-F394 HydrophobicContact CG-CB 3.71Å; P364-F394 HydrophobicContact CG-CD1 3.39Å; P364-F394 HydrophobicContact CG-CD2 3.77Å; P364-F394 HydrophobicContact CG-CE1 3.87Å; P364-F394 HydrophobicContact CG-CE2 4.21Å; P364-F394 HydrophobicContact CG-CG 3.32Å; P364-F394 HydrophobicContact CG-CZ 4.25Å; V369-F394 HydrophobicContact CG2-CD1 4.05Å; V369-F394 HydrophobicContact CG2-CE1 3.87Å; I387-F394 HydrophobicContact CG2-CB 4.38Å; T388-F394 WeakPolarHBondContact O-CA 3.5Å; R389-F394 HydrophobicContact CB-CD1 3.96Å; R389-F394 HydrophobicContact CB-CE1 3.95Å; R389-F394 HydrophobicContact CG-CD1 4.11Å; R389-F394 HydrophobicContact CG-CE1 3.82Å; R389-F394 HydrophobicContact CG-CZ 4.41Å
395V95.3Very high93.3Very high71 Ų71101.1 Ų101.143%0.4352%0.516SS..EExtended strand (participates in β ladder)trans-129.5120.7179.3-177.70000108.1T388T388-V395 PolarHBondContact N-O 2.87Å; T388-V395 PolarHBondContact O-N 2.82Å; T388-V395 PolarHBondContact OG1-O 2.94Å
396S94.6Very high93.2Very high31 Ų31105.8 Ų105.822%0.21754%0.539CS..EExtended strand (participates in β ladder)trans-89.3112.9169.7-60.60000108.5L361L361-S396 WeakPolarHBondContact CD1-OG 3.31Å
397T95.4Very high93.1Very high76 Ų76109.2 Ų109.247%0.46655%0.554SS.*EExtended strand (participates in β ladder)trans-102.5123179-55.30000109.4S385 V386S385-T397 VanDerWaalsContact CA-O 3.27Å; S385-T397 WeakPolarHBondContact CA-O 3.44Å; V386-T397 PolarHBondContact N-O 3.08Å; V386-T397 VanDerWaalsContact N-O 3.09Å; V386-T397 PolarHBondContact O-N 3.29Å
398L96Very high93Very high73 Ų73115.1 Ų115.138%0.38258%0.584SS.*EExtended strand (participates in β ladder)trans-99.5133.7172.2-7470.8000109.5L348 L384 Y400L348-L398 HydrophobicContact CD1-CD1 3.86Å; L348-L398 HydrophobicContact CD1-CD2 4.3Å; L348-L398 HydrophobicContact CD1-CG 4.16Å; L348-L398 HydrophobicContact CD2-CD1 4.37Å; L384-L398 CarbonylContact O-C 3.58Å; L384-L398 VanDerWaalsContact O-CA 3.31Å; L384-L398 WeakPolarHBondContact O-CA 3.43Å; L398-Y400 HydrophobicContact CB-CE2 3.98Å; L398-Y400 HydrophobicContact CD2-CE2 4.32Å
399F94.4Very high92.8Very high117 Ų117118.6 Ų118.651%0.51360%0.599SS.*EExtended strand (participates in β ladder)trans-121.7119.8179-178.2-113.1000110V383 L384 K401V383-F399 WeakPolarHBondContact CA-O 3.37Å; L384-F399 PolarHBondContact N-O 2.78Å; L384-F399 PolarHBondContact O-N 3.01Å; F399-K401 HydrophobicContact CD1-CB 4.12Å; F399-K401 HydrophobicContact CE1-CB 3.52Å; F399-K401 HydrophobicContact CE1-CD 3.81Å; F399-K401 HydrophobicContact CE1-CG 4.12Å; F399-K401 HydrophobicContact CZ-CB 4Å; F399-K401 HydrophobicContact CZ-CD 4.19Å; F399-K401 HydrophobicContact CZ-CG 4.38Å
400Y96.1Very high92.5Very high143 Ų143116.4 Ų116.456%0.56160%0.6SS**EExtended strand (participates in β ladder)trans-103.5119.4177.5-69.5-103.6000108.6V381 V382 V383 L398V381-Y400 HydrophobicContact CG1-CD1 4.18Å; V382-Y400 WeakPolarHBondContact O-CA 3.47Å; V383-Y400 HydrophobicContact CB-CD1 4.36Å; V383-Y400 HydrophobicContact CB-CE1 4.2Å; V383-Y400 HydrophobicContact CG1-CD1 4.13Å; V383-Y400 HydrophobicContact CG1-CD2 4.33Å; V383-Y400 HydrophobicContact CG1-CE1 3.74Å; V383-Y400 HydrophobicContact CG1-CE2 3.95Å; V383-Y400 HydrophobicContact CG1-CG 4.4Å; V383-Y400 HydrophobicContact CG2-CD1 3.47Å; V383-Y400 VanDerWaalsContact CG2-CD1 3.47Å; V383-Y400 HydrophobicContact CG2-CE1 3.37Å; V383-Y400 HydrophobicContact CG2-CG 4.31Å; L398-Y400 HydrophobicContact CB-CE2 3.98Å; L398-Y400 HydrophobicContact CD2-CE2 4.32Å
401K94.6Very high92.3Very high123 Ų123114.9 Ų114.954%0.53560%0.599SS.*EExtended strand (participates in β ladder)trans-131.6123.8-179.7-175.7175.6173.7-178.90111.2V382 F399V382-K401 PolarHBondContact N-O 3.33Å; V382-K401 PolarHBondContact O-N 2.91Å; F399-K401 HydrophobicContact CD1-CB 4.12Å; F399-K401 HydrophobicContact CE1-CB 3.52Å; F399-K401 HydrophobicContact CE1-CD 3.81Å; F399-K401 HydrophobicContact CE1-CG 4.12Å; F399-K401 HydrophobicContact CZ-CB 4Å; F399-K401 HydrophobicContact CZ-CD 4.19Å; F399-K401 HydrophobicContact CZ-CG 4.38Å
402P94.9Very high92.2Very high94 Ų94108.3 Ų108.361%0.6159%0.586SS**EExtended strand (participates in β ladder)trans-60.2139.7168.5-20.732.6000111.2G380G380-P402 CarbonylContact O-C 3.5Å; G380-P402 WeakPolarHBondContact O-CA 3.41Å
403I90Very high91.9Very high77 Ų77105 Ų10540%0.39558%0.577SS.*PPolyproline II helixtrans-91.4118.7169.3-51.8176.3000106.3I377 G380 V382 G405I377-I403 HydrophobicContact CB-CD1 4.48Å; I377-I403 HydrophobicContact CD1-CD1 3.76Å; I377-I403 HydrophobicContact CG1-CD1 4.18Å; I377-I403 HydrophobicContact CG2-CD1 3.5Å; I377-I403 VanDerWaalsContact CG2-CD1 3.5Å; G380-I403 PolarHBondContact O-N 3.29Å; V382-I403 HydrophobicContact CG2-CD1 3.39Å; V382-I403 HydrophobicContact CG2-CG1 3.42Å; V382-I403 VanDerWaalsContact CG2-CG1 3.42Å; I403-G405 PolarHBondContact O-N 3.42Å
404E81.5Confident91.6Very high191 Ų191100.7 Ų100.789%0.89357%0.568SS**PPolyproline II helixtrans-65.8119.4166.5-67.1174.9-171.200107.3
405G70.6Confident91.2Very high149 Ų149104.1 Ų104.1100%1.53659%0.594SS**  trans-81.90-17700000114.1I403I403-G405 PolarHBondContact O-N 3.42Å

Retrieved 405 of 405 residues in 81.2 ms (Link to these results)