A0A087YKI1_POEFO Loading...

Potassium channel tetramerization domain containing 2

AlphaFold DB , UniProt , Accession A0A087YKI1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 271 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
1M40Very low38.2Very low250 Ų250146.1 Ų146.1100%1.23285%0.847SS**  01050-82.3170.5169.100106.6
2A37.1Very low38.2Very low100 Ų100146.1 Ų146.183%0.82685%0.851SS**  trans-111.6118.2177.100000107.4
3E32.5Very low38.3Very low182 Ų182141.8 Ų141.885%0.8584%0.843SS**  trans-71.3124.8174.6-100179.293.400110.1
4L35.8Very low38.4Very low166 Ų166141.7 Ų141.787%0.86984%0.844SS**  trans-86.7109.4166.4-91.8149000108V6L4-V6 PolarHBondContact O-N 3.36Å
5H33.6Very low38.7Very low161 Ų161142.9 Ų142.975%0.74584%0.842SS**  trans-78.4116167.4-112.482.7000109.1
6V37.3Very low38.3Very low124 Ų124145.1 Ų145.175%0.75284%0.842SS**  trans-82.5124.4170.5176.20000107.9L4L4-V6 PolarHBondContact O-N 3.36Å
7V41.5Very low38.4Very low127 Ų127146.9 Ų146.977%0.7784%0.841SS**  trans-109.1109.5170.9176.50000107.6
8E43.8Very low38.6Very low171 Ų171145.7 Ų145.780%0.79984%0.839SS**  trans-86.7134.4165.4-71.3-168.8122.100109.9
9P42.5Very low38.4Very low126 Ų126147.4 Ų147.482%0.81884%0.839SS**  trans-96.8104.5162.131.5-25.7000110.7
10S36.8Very low38.3Very low123 Ų123147.4 Ų147.486%0.8683%0.831SS**  trans-77.6126.7157.951.40000109.8
11G38.8Very low38.3Very low77 Ų77151.9 Ų151.979%0.79484%0.835SS**  trans-177.188.2175.200000113.5
12T39.1Very low38.1Very low146 Ų146146.3 Ų146.390%0.89681%0.81SS**  trans-67.4123.9166.8450000110.7
13A39.1Very low38.5Very low90 Ų90148.1 Ų148.174%0.74481%0.811SS**  trans-133.5106.5166.300000109.8
14T39.5Very low38.8Very low141 Ų141151.5 Ų151.587%0.86582%0.815SS**  trans-67123.7168.5-23.60000108.3
15I42.5Very low38.7Very low159 Ų159147 Ų14782%0.81581%0.809SS**  trans-108.1118.1172.8-66.7178.2000108.4
16E33.5Very low39.1Very low179 Ų179144.4 Ų144.484%0.83681%0.809SS**  trans-66.4145.6176-67.1178.9102.500112.4
17Q39.3Very low39.2Very low176 Ų176147.3 Ų147.382%0.82282%0.817SS**  trans-71.2157.3166.9-65.1177.9-1.600111.2
18P41.8Very low39.1Very low125 Ų125152.7 Ų152.781%0.81282%0.823SS**  trans-124.1135.5146.532.5-19.7000112.6
19E35Very low38.8Very low178 Ų178152.9 Ų152.983%0.83283%0.829SS**  trans-76.5145.5173.2-72.1-151123.100114
20H37Very low38.5Very low147 Ų147151.4 Ų151.468%0.68183%0.827SS**  trans43.1113.8138.3-135.9-97.5000120.9D22H20-D22 IonicContact CE1-OD2 3.17Å; H20-D22 PolarHBondContact CE1-OD2 3.35Å; H20-D22 IonicContact ND1-OD2 2.92Å; H20-D22 PolarHBondContact ND1-OD2 2.79Å
21R38Very low38.7Very low242 Ų242150.6 Ų150.691%0.91382%0.822SS**  trans-140121.7141.4-86.2-166.7179.7-177.50.3112.2
22D36.2Very low38.9Very low132 Ų132153 Ų15371%0.70682%0.824SS**  trans-52.2132.7164.7-69.8-94.9000113.4H20H20-D22 IonicContact CE1-OD2 3.17Å; H20-D22 PolarHBondContact CE1-OD2 3.35Å; H20-D22 IonicContact ND1-OD2 2.92Å; H20-D22 PolarHBondContact ND1-OD2 2.79Å
23V44.8Very low38.7Very low139 Ų139152.2 Ų152.284%0.84282%0.818SS**  trans-139.1111.7150.6-177.40000109.6
24R38.2Very low38.8Very low252 Ų252155.5 Ų155.595%0.95182%0.823SS**  trans-52.1130.1164.1-77.1174.3169.2-165.9-3.2110.7
25G34.2Very low38.6Very low71 Ų71156.4 Ų156.473%0.73282%0.822SS**  trans-162.380.3171.800000111.7M27G25-M27 PolarHBondContact O-N 3.28Å
26S41.4Very low38.9Very low108 Ų108156 Ų15676%0.75582%0.82SS**  trans-61.7114.7174.81750000111.5
27M40.2Very low39.5Very low185 Ų185152.6 Ų152.691%0.91181%0.813SS**  trans-134.495.5158.7-66.8-159.5-175.500109.5G25 L29G25-M27 PolarHBondContact O-N 3.28Å; M27-L29 PolarHBondContact O-N 3.36Å
28R38.8Very low39.6Very low239 Ų239150.3 Ų150.390%0.90281%0.813SS**  trans-73.7114.2167.7-71.3-179.1173.1-177.8-2.7108.1
29L38.7Very low39.4Very low175 Ų175155.7 Ų155.792%0.91682%0.817SS**  trans-87.2115.9162.8-79.7164.1000108.1M27M27-L29 PolarHBondContact O-N 3.36Å
30A36.5Very low39.7Very low95 Ų95151.9 Ų151.979%0.78581%0.81SS**  trans-74.7131.2-179.300000110.9
31S39.9Very low39.7Very low107 Ų107150.6 Ų150.675%0.74882%0.818SS**  trans-66.3140.4166.3-55.80000110.8T33S31-T33 PolarHBondContact O-N 3.4Å
32P42.5Very low40Very low128 Ų128144.3 Ų144.383%0.83181%0.811SS**  trans-77.5113.317027.9-28.7000110.7L34P32-L34 PolarHBondContact O-N 2.7Å
33T36.2Very low40.1Very low128 Ų128146.1 Ų146.179%0.78582%0.815SS**  trans-62.5118.5169-59.50000110.5S31 L35S31-T33 PolarHBondContact O-N 3.4Å; T33-L35 PolarHBondContact O-N 3.07Å
34L39.8Very low39.6Very low159 Ų159146 Ų14683%0.83281%0.809SS**  trans-76.1114.8167-105.1156.1000109.5P32 I36P32-L34 PolarHBondContact O-N 2.7Å; L34-I36 PolarHBondContact O-N 3.37Å
35L36.6Very low39.5Very low161 Ų161138.8 Ų138.884%0.84380%0.797SS**  trans-73.8110.9177-149.985.3000109.3T33T33-L35 PolarHBondContact O-N 3.07Å
36I47.8Very low40.2Very low151 Ų151141.6 Ų141.677%0.77480%0.803SS**PPolyproline II helixtrans-101.2121.4169.4-59.3170.3000107.7L34L34-I36 PolarHBondContact O-N 3.37Å
37P47.5Very low39.9Very low107 Ų107140.4 Ų140.470%0.69581%0.807SS**PPolyproline II helixtrans-78.9142.6174.230.1-31.1000111.2
38P41.5Very low39.5Very low127 Ų127135.3 Ų135.383%0.82580%0.802SS**PPolyproline II helixtrans-83.4132.1175.932.9-30.7000110.1
39R37.4Very low39.1Very low239 Ų239128.2 Ų128.290%0.90280%0.803SS**  trans-116.3101.4163.5-96.2-175.8169.3-116.91110.8
40S40.4Very low38.7Very low98 Ų98123.9 Ų123.969%0.68580%0.801SS**  trans43.1109.3136.160.40000119.1
41S37Very low38.7Very low120 Ų120125 Ų12584%0.83980%0.803SS**  trans-60.7140.9150.240.40000113.1
42S43.6Very low38.5Very low110 Ų110126 Ų12677%0.76981%0.81SS**  trans-152.4102.9150.745.70000106.2
43Q38.4Very low38Very low169 Ų169124 Ų12479%0.7981%0.812SS**  57.3100.385.5-80.2-125.613.300115.5
44L34.2Very low37.8Very low138 Ų138121.7 Ų121.772%0.72382%0.815SS**  59.7112118.5-70.6160.2000121.8
45S37.8Very low37.7Very low100 Ų100120.4 Ų120.470%0.69982%0.819SS**  79.5172.9125-51.60000120.2
46P49.1Very low37.7Very low130 Ų130116.5 Ų116.584%0.84482%0.817SS**  -132.5169.4-7238.9-22.4000113.1
47G33.3Very low37.2Very low82 Ų82120.6 Ų120.685%0.84582%0.823SS**  trans171.4135.5164.800000109.4
48G32.8Very low36.6Very low79 Ų79120.3 Ų120.381%0.81482%0.823SS**  cis143.611713.300000106.9
49G30.5Very low36.4Very low89 Ų89119.4 Ų119.492%0.91882%0.816SS**  trans86.3131.6154.500000118.5
50G31Very low36.4Very low85 Ų85117.1 Ų117.188%0.87681%0.813SS**  trans146.657.4155.100000117.1
51S35Very low36.1Very low118 Ų118115.9 Ų115.983%0.82582%0.815SS**  trans-88.5149.7162.8-77.40000111.5
52S35.6Very low36.3Very low127 Ų127119.2 Ų119.289%0.88882%0.815SS**  trans94131.2147.478.20000120
53G31.7Very low36.3Very low86 Ų86119.8 Ų119.889%0.88782%0.816SS**  trans119.187.6136.300000115.6
54G33.3Very low36.3Very low81 Ų81119.9 Ų119.984%0.83582%0.821SS**  trans-160.966.6171.600000112.9
55S37.6Very low36.7Very low132 Ų132123 Ų12392%0.92383%0.829SS**  trans-65.8128.4168.9-65.90000111.1
56G35.5Very low36.9Very low78 Ų78123.9 Ų123.980%0.80484%0.835SS**  trans-146.8113.417000000110
57R37.8Very low36.4Very low237 Ų237124.4 Ų124.489%0.89483%0.83SS**  trans-82.1155.5-169.3-56.9161.494.4-166.47.6111.5
58S35.5Very low37.1Very low101 Ų101126.6 Ų126.671%0.70683%0.83SS**  trans119.3115.6130.2-700000118.4
59V36.3Very low37.5Very low109 Ų109127.1 Ų127.166%0.66182%0.821SS**  63.5112.6125.4-166.30000117
60F37Very low38.1Very low191 Ų191128 Ų12884%0.83881%0.813SS**  -174.9121.5109-92.3-70.9000109.1
61G35.4Very low38.9Very low72 Ų72129.3 Ų129.374%0.74281%0.806SS**  trans-74.4145.8178.100000112.6
62F40.3Very low39.1Very low190 Ų190129.2 Ų129.283%0.83381%0.805SS**  trans-130.8134159.2-76.3-83.4000108.5
63P44.3Very low39.9Very low121 Ų121130.9 Ų130.979%0.78680%0.799SS**  trans-77.8140.4-172.430.6-33.2000111.9K65P63-K65 PolarHBondContact O-N 3.19Å
64L38.6Very low40.9Very low172 Ų172131.9 Ų131.990%0.90179%0.79SS**  trans-52122.8163.6-99.571.1000110.2
65K41.8Very low41.4Very low204 Ų204136 Ų13689%0.88779%0.792SS**  trans-109.8108151.3-92.3-179.5174.4-179.20107.4P63 N67P63-K65 PolarHBondContact O-N 3.19Å; K65-N67 PolarHBondContact O-N 3.01Å
66S42.3Very low42Very low118 Ų118136.9 Ų136.983%0.82579%0.787SS**  trans-66.5119.2165.540.80000109.1
67N39.6Very low42.9Very low140 Ų140142 Ų14275%0.74979%0.786SS**  trans-122.7122.2164.5-153.743.6000107.1K65 S69K65-N67 PolarHBondContact O-N 3.01Å; N67-S69 PolarHBondContact O-N 2.87Å
68P48Very low43.2Very low128 Ų128137.3 Ų137.383%0.83179%0.787SS**  trans-84.497.1-179.231.8-29000108.9
69S39.4Very low44.1Very low90 Ų90136 Ų13663%0.62979%0.789SS**  trans-109.7123172.351.50000111N67N67-S69 PolarHBondContact O-N 2.87Å
70S43.9Very low45.6Very low108 Ų108132.7 Ų132.776%0.75577%0.771SS**  trans84.9145.4144.7-500000118.1
71P47.5Very low47.9Very low112 Ų112131.4 Ų131.473%0.72776%0.761SS**  trans-69.4137.3-174.78.46.1000109.7E73P71-E73 PolarHBondContact O-N 2.89Å
72S39.1Very low50.5Low116 Ų116135.7 Ų135.781%0.81176%0.755SS**  trans-62.798.3171.349.90000110.2
73E52.8Low53Low163 Ų163127 Ų12776%0.76272%0.717SS**  trans-58.1134.5154.8-69.7-69132.300108.2P71 L75P71-E73 PolarHBondContact O-N 2.89Å; E73-L75 PolarHBondContact O-N 3.31Å
74P52.1Low55.3Low107 Ų107125.5 Ų125.570%0.69570%0.696SS**  trans-64.4122.1178.125.4-30.4000109.6D76P74-D76 PolarHBondContact O-N 3.15Å
75L44.6Very low58Low167 Ų167117.3 Ų117.387%0.87465%0.653SS**  trans-64.597.7174.5-17371.8000109.1E73 K77E73-L75 PolarHBondContact O-N 3.31Å; L75-K77 PolarHBondContact O-N 2.7Å
76D51.2Low60.6Low151 Ų151108.6 Ų108.681%0.80762%0.616SS**  trans-53.5111.7172.3-81.5-40.4000110P74 P78P74-D76 PolarHBondContact O-N 3.15Å; D76-P78 WeakPolarHBondContact O-CD 3.36Å
77K53.3Low63.1Low184 Ų184103 Ų10380%0.858%0.577SS**  trans-60.8125.9169.9-74.6176.8179.91700108.2L75 G79L75-K77 PolarHBondContact O-N 2.7Å; K77-G79 PolarHBondContact O-N 3.43Å
78P45.2Very low65.8Low139 Ų13998.4 Ų98.490%0.90356%0.563SS**THydrogen-bonded Turntrans-71.315.7-176.527.5-34000114.9D76D76-P78 WeakPolarHBondContact O-CD 3.36Å
79G54Low67.9Low74 Ų7494.9 Ų94.976%0.76355%0.55SS**THydrogen-bonded Turntrans-92.5-10.6-176.700000116K77K77-G79 PolarHBondContact O-N 3.43Å
80S66.8Low70.6Confident40 Ų4093.7 Ų93.728%0.2854%0.539SS..  trans-12227.3-164-152.10000115.3K96 E113S80-K96 WeakPolarHBondContact O-CD 3.47Å; S80-K96 WeakPolarHBondContact O-CE 3.24Å; S80-K96 WeakPolarHBondContact O-CG 3.37Å; S80-K96 WeakPolarHBondContact OG-CE 3.44Å; S80-K96 PolarHBondContact OG-NZ 3.32Å; S80-E113 PolarHBondContact OG-OE1 3.46Å
81R85.8Confident73.1Confident163 Ų16394 Ų9462%0.61552%0.524SS*.SBendtrans-71.6-43.7176.3176.4178.5178.5-177.11112.3T95 K96R81-T95 HydrophobicContact CG-CG2 4.23Å; R81-T95 CarbonylContact O-C 3.52Å; R81-T95 WeakPolarHBondContact O-CA 3.39Å; R81-T95 WeakPolarHBondContact O-CB 3.43Å; R81-K96 PolarHBondContact O-N 2.91Å
82W90.5Very high75.5Confident162 Ų16290.5 Ų90.561%0.61450%0.498SS*.EExtended strand (participates in β ladder)trans-91.9138.1-175.7-68.199.7000110I93 T94 T95W82-I93 HydrophobicContact CE3-CG2 3.78Å; W82-I93 HydrophobicContact CZ3-CG2 4.24Å; W82-T94 CarbonylContact C-O 3.51Å; W82-T94 WeakPolarHBondContact CA-O 3.46Å; W82-T94 VanDerWaalsContact CE3-O 3.31Å; W82-T95 HydrophobicContact CD2-CG2 4.02Å; W82-T95 HydrophobicContact CE3-CG2 3.73Å; W82-T95 HydrophobicContact CH2-CG2 4.05Å; W82-T95 HydrophobicContact CZ2-CG2 4.32Å; W82-T95 HydrophobicContact CZ3-CG2 3.74Å
83V91.3Very high78.1Confident7 Ų789.3 Ų89.34%0.04248%0.481CS..EExtended strand (participates in β ladder)trans-124.5135.1-179.7-178.40000108.2L85 T94 K96 L99 Y127V83-L85 HydrophobicContact CG1-CD2 3.88Å; V83-L85 HydrophobicContact CG1-CG 4.49Å; V83-T94 PolarHBondContact N-O 3.22Å; V83-T94 PolarHBondContact O-N 3.47Å; V83-K96 HydrophobicContact CG2-CB 4.38Å; V83-K96 HydrophobicContact CG2-CG 3.41Å; V83-K96 VanDerWaalsContact CG2-CG 3.41Å; V83-L99 HydrophobicContact CB-CD1 4.27Å; V83-L99 HydrophobicContact CG1-CD1 4.02Å; V83-L99 HydrophobicContact CG2-CD1 4.43Å; V83-Y127 HydrophobicContact CG1-CD2 3.63Å; V83-Y127 HydrophobicContact CG1-CE2 3.67Å
84R93.5Very high80.1Confident90 Ų9081.7 Ų81.734%0.3445%0.446SS..EExtended strand (participates in β ladder)trans-103.5133.1173.4-61.8178.563.9-154.7-7.8108.3F92 I93 T124 A126 Y127R84-F92 WeakPolarHBondContact CA-O 3.39Å; R84-I93 HydrophobicContact CG-CG1 4.33Å; R84-T124 VanDerWaalsContact NH1-CB 3.26Å; R84-T124 PolarHBondContact NH1-O 3.49Å; R84-T124 PolarHBondContact NH1-OG1 2.93Å; R84-T124 PolarHBondContact NH2-OG1 3.5Å; R84-A126 HydrophobicContact CB-CB 3.61Å; R84-A126 VanDerWaalsContact O-CA 3.3Å; R84-A126 WeakPolarHBondContact O-CA 3.37Å; R84-Y127 PolarHBondContact O-N 3.14Å
85L95.2Very high82.1Confident0 Ų077.3 Ų77.30%042%0.417CS..EExtended strand (participates in β ladder)trans-119.9133.1176.6-53.5176000107.4V83 V87 Y91 F92 T94 L99 L110 Y127 I129 F136V83-L85 HydrophobicContact CG1-CD2 3.88Å; V83-L85 HydrophobicContact CG1-CG 4.49Å; L85-V87 HydrophobicContact CB-CG2 4.25Å; L85-Y91 CarbonylContact O-C 3.56Å; L85-Y91 VanDerWaalsContact O-CA 3.31Å; L85-Y91 WeakPolarHBondContact O-CA 3.45Å; L85-F92 HydrophobicContact CB-CB 4.33Å; L85-F92 PolarHBondContact N-O 3.36Å; L85-F92 PolarHBondContact O-N 3.13Å; L85-T94 HydrophobicContact CD1-CG2 4.32Å; L85-L99 HydrophobicContact CD1-CD2 4.27Å; L85-L99 HydrophobicContact CD2-CD1 4.45Å; L85-L110 HydrophobicContact CD2-CD1 4.04Å; L85-Y127 CarbonylContact C-O 3.6Å; L85-Y127 HydrophobicContact CD2-CD2 4.13Å; L85-Y127 HydrophobicContact CD2-CG 4.49Å; L85-I129 HydrophobicContact CD2-CD1 4.46Å; L85-F136 HydrophobicContact CD1-CE1 4.01Å; L85-F136 HydrophobicContact CD1-CZ 3.68Å
86N95.8Very high84.3Confident21 Ų2171.2 Ų71.211%0.11238%0.384CS..EExtended strand (participates in β ladder)trans-108.999.5171.5-176.1-10.7000107.8G89 T90 Y91 A126 Y127 L128 I129N86-G89 VanDerWaalsContact OD1-C 3.23Å; N86-G89 WeakPolarHBondContact OD1-CA 3.44Å; N86-G89 PolarHBondContact OD1-N 2.88Å; N86-G89 VanDerWaalsContact OD1-N 3.09Å; N86-T90 PolarHBondContact OD1-N 3.4Å; N86-Y91 HydrophobicContact CB-CD1 4.15Å; N86-Y91 HydrophobicContact CB-CE1 3.97Å; N86-Y91 PolarHBondContact ND2-OH 3.32Å; N86-A126 HydrophobicContact CB-CB 4.3Å; N86-Y127 PolarHBondContact N-O 3.36Å; N86-L128 CarbonylContact O-C 3.57Å; N86-I129 PolarHBondContact O-N 3Å
87V96.5Very high86.2Confident0 Ų071.3 Ų71.30%038%0.379CS..EExtended strand (participates in β ladder)trans-101.4109.1-176.8-172.40000108.2L85 G89 T90 F92 I129 R131 P133 F136L85-V87 HydrophobicContact CB-CG2 4.25Å; V87-G89 PolarHBondContact O-N 3.03Å; V87-T90 PolarHBondContact N-O 3.12Å; V87-T90 PolarHBondContact O-N 3Å; V87-F92 HydrophobicContact CB-CD2 4.11Å; V87-F92 HydrophobicContact CB-CE2 3.98Å; V87-F92 HydrophobicContact CG2-CD2 3.84Å; V87-F92 HydrophobicContact CG2-CE2 4.17Å; V87-I129 CarbonylContact C-O 3.54Å; V87-I129 WeakPolarHBondContact CA-O 3.38Å; V87-I129 HydrophobicContact CG1-CB 4.43Å; V87-I129 HydrophobicContact CG1-CG2 4.34Å; V87-I129 HydrophobicContact CG2-CB 4.18Å; V87-I129 HydrophobicContact CG2-CD1 4.14Å; V87-R131 HydrophobicContact CG1-CB 4.08Å; V87-R131 WeakPolarHBondContact CG1-O 3.39Å; V87-P133 HydrophobicContact CB-CB 4.48Å; V87-P133 WeakPolarHBondContact O-CB 3.37Å; V87-F136 HydrophobicContact CB-CD1 4.42Å; V87-F136 HydrophobicContact CG1-CB 4.16Å; V87-F136 HydrophobicContact CG1-CG 4.22Å; V87-F136 HydrophobicContact CG2-CD1 3.74Å; V87-F136 HydrophobicContact CG2-CD2 4.48Å; V87-F136 HydrophobicContact CG2-CE1 3.81Å; V87-F136 HydrophobicContact CG2-CG 4.08Å; V87-F136 HydrophobicContact CG2-CZ 4.23Å
88G94.5Very high88.2Confident45 Ų4563.4 Ų63.446%0.46435%0.347SS..THydrogen-bonded Turntrans5430.4179.600000114.3I129 R131G88-I129 PolarHBondContact N-O 3.38Å; G88-R131 WeakPolarHBondContact CA-O 3.48Å; G88-R131 PolarHBondContact N-O 3.32Å; G88-R131 VanDerWaalsContact N-O 3.17Å
89G93.4Very high90.4Very high54 Ų5456.8 Ų56.856%0.55730%0.304SS*.THydrogen-bonded Turntrans95-5.3-177.200000115.4N86 V87N86-G89 VanDerWaalsContact OD1-C 3.23Å; N86-G89 WeakPolarHBondContact OD1-CA 3.44Å; N86-G89 PolarHBondContact OD1-N 2.88Å; N86-G89 VanDerWaalsContact OD1-N 3.09Å; V87-G89 PolarHBondContact O-N 3.03Å
90T96.5Very high92.2Very high64 Ų6455.3 Ų55.339%0.39328%0.281SS..EExtended strand (participates in β ladder)trans-103.7130.8177.1-58.20000111.4N86 V87 F92 P133N86-T90 PolarHBondContact OD1-N 3.4Å; V87-T90 PolarHBondContact N-O 3.12Å; V87-T90 PolarHBondContact O-N 3Å; T90-F92 HydrophobicContact CG2-CD2 4.39Å; T90-F92 HydrophobicContact CG2-CE2 3.72Å; T90-F92 HydrophobicContact CG2-CZ 4.03Å; T90-F92 WeakPolarHBondContact O-CD2 3.5Å; T90-P133 HydrophobicContact CG2-CB 4.19Å; T90-P133 WeakPolarHBondContact OG1-CG 3.27Å
91Y96.1Very high93.4Very high114 Ų11460.7 Ų60.745%0.44730%0.295SS..EExtended strand (participates in β ladder)trans-86.2128.3-179.1-67.9-90.7000112.5L85 N86 D122 A126L85-Y91 CarbonylContact O-C 3.56Å; L85-Y91 VanDerWaalsContact O-CA 3.31Å; L85-Y91 WeakPolarHBondContact O-CA 3.45Å; N86-Y91 HydrophobicContact CB-CD1 4.15Å; N86-Y91 HydrophobicContact CB-CE1 3.97Å; N86-Y91 PolarHBondContact ND2-OH 3.32Å; Y91-D122 WeakPolarHBondContact CE1-OD2 3.38Å; Y91-D122 PolarHBondContact OH-OD2 2.75Å; Y91-A126 HydrophobicContact CD1-CB 4.18Å; Y91-A126 HydrophobicContact CE1-CB 3.97Å
92F96.5Very high93.6Very high39 Ų3954.2 Ų54.217%0.17127%0.273CS..EExtended strand (participates in β ladder)trans-116143.5170.1-64.1-95.7000109.9R84 L85 V87 T90 P133 F136 L140R84-F92 WeakPolarHBondContact CA-O 3.39Å; L85-F92 HydrophobicContact CB-CB 4.33Å; L85-F92 PolarHBondContact N-O 3.36Å; L85-F92 PolarHBondContact O-N 3.13Å; V87-F92 HydrophobicContact CB-CD2 4.11Å; V87-F92 HydrophobicContact CB-CE2 3.98Å; V87-F92 HydrophobicContact CG2-CD2 3.84Å; V87-F92 HydrophobicContact CG2-CE2 4.17Å; T90-F92 HydrophobicContact CG2-CD2 4.39Å; T90-F92 HydrophobicContact CG2-CE2 3.72Å; T90-F92 HydrophobicContact CG2-CZ 4.03Å; T90-F92 WeakPolarHBondContact O-CD2 3.5Å; F92-P133 HydrophobicContact CE2-CB 3.91Å; F92-P133 HydrophobicContact CZ-CB 4.17Å; F92-F136 HydrophobicContact CB-CE1 4.07Å; F92-F136 AromaticContact CD1-CD1 3.87Å; F92-F136 HydrophobicContact CD1-CD1 3.87Å; F92-F136 HydrophobicContact CD1-CE1 4.15Å; F92-F136 AromaticContact CD2-CD1 3.66Å; F92-F136 HydrophobicContact CD2-CD1 3.66Å; F92-F136 AromaticContact CD2-CE1 3.98Å; F92-F136 HydrophobicContact CD2-CE1 3.98Å; F92-F136 AromaticContact CE1-CD1 3.92Å; F92-F136 HydrophobicContact CE1-CD1 3.92Å; F92-F136 AromaticContact CE2-CD1 3.72Å; F92-F136 HydrophobicContact CE2-CD1 3.72Å; F92-F136 HydrophobicContact CE2-CE1 4.49Å; F92-F136 AromaticContact CG-CD1 3.74Å; F92-F136 HydrophobicContact CG-CD1 3.74Å; F92-F136 AromaticContact CG-CE1 3.79Å; F92-F136 HydrophobicContact CG-CE1 3.79Å; F92-F136 HydrophobicContact CZ-CB 4.4Å; F92-F136 AromaticContact CZ-CD1 3.85Å; F92-F136 HydrophobicContact CZ-CD1 3.85Å; F92-L140 HydrophobicContact CB-CD2 4.11Å; F92-L140 HydrophobicContact CD1-CD2 3.98Å; F92-L140 HydrophobicContact CG-CD2 4.41Å
93I94.8Very high93.6Very high91 Ų9150.7 Ų50.747%0.46727%0.271SS..EExtended strand (participates in β ladder)trans-120.3130.1177.3-57.3178.4000108.4W82 R84 R144W82-I93 HydrophobicContact CE3-CG2 3.78Å; W82-I93 HydrophobicContact CZ3-CG2 4.24Å; R84-I93 HydrophobicContact CG-CG1 4.33Å; I93-R144 PolarHBondContact O-NH2 3.37Å
94T95.1Very high93.4Very high3 Ų358.1 Ų58.12%0.01830%0.303CS..EExtended strand (participates in β ladder)trans-149.6-175.3178.9-164.80000110.5W82 V83 L85 T98 L99 L140W82-T94 CarbonylContact C-O 3.51Å; W82-T94 WeakPolarHBondContact CA-O 3.46Å; W82-T94 VanDerWaalsContact CE3-O 3.31Å; V83-T94 PolarHBondContact N-O 3.22Å; V83-T94 PolarHBondContact O-N 3.47Å; L85-T94 HydrophobicContact CD1-CG2 4.32Å; T94-T98 WeakPolarHBondContact OG1-CB 3.28Å; T94-T98 PolarHBondContact OG1-OG1 2.76Å; T94-L99 HydrophobicContact CG2-CD1 4.22Å; T94-L99 HydrophobicContact CG2-CD2 3.83Å; T94-L99 HydrophobicContact CG2-CG 3.96Å; T94-L140 HydrophobicContact CG2-CD1 4.13Å
95T93.8Very high93.3Very high15 Ų1554 Ų549%0.09229%0.288CS..EExtended strand (participates in β ladder)trans-108.7153.4175.367.40000110.9R81 W82 Q97 T98 L99R81-T95 HydrophobicContact CG-CG2 4.23Å; R81-T95 CarbonylContact O-C 3.52Å; R81-T95 WeakPolarHBondContact O-CA 3.39Å; R81-T95 WeakPolarHBondContact O-CB 3.43Å; W82-T95 HydrophobicContact CD2-CG2 4.02Å; W82-T95 HydrophobicContact CE3-CG2 3.73Å; W82-T95 HydrophobicContact CH2-CG2 4.05Å; W82-T95 HydrophobicContact CZ2-CG2 4.32Å; W82-T95 HydrophobicContact CZ3-CG2 3.74Å; T95-Q97 PolarHBondContact O-N 2.79Å; T95-T98 VanDerWaalsContact O-CB 3.31Å; T95-T98 WeakPolarHBondContact O-CB 3.24Å; T95-T98 PolarHBondContact O-N 2.94Å; T95-T98 PolarHBondContact OG1-N 2.91Å; T95-T98 PolarHBondContact OG1-OG1 2.89Å; T95-L99 PolarHBondContact O-N 2.85Å
96K90.6Very high93.1Very high39 Ų3956.3 Ų56.317%0.1730%0.298CS..Hα-helixtrans-51.6-43172.1-75.5-168178178.90112S80 R81 V83 T98 L99 C100 C111 E113S80-K96 WeakPolarHBondContact O-CD 3.47Å; S80-K96 WeakPolarHBondContact O-CE 3.24Å; S80-K96 WeakPolarHBondContact O-CG 3.37Å; S80-K96 WeakPolarHBondContact OG-CE 3.44Å; S80-K96 PolarHBondContact OG-NZ 3.32Å; R81-K96 PolarHBondContact O-N 2.91Å; V83-K96 HydrophobicContact CG2-CB 4.38Å; V83-K96 HydrophobicContact CG2-CG 3.41Å; V83-K96 VanDerWaalsContact CG2-CG 3.41Å; K96-T98 PolarHBondContact O-N 2.99Å; K96-T98 VanDerWaalsContact O-N 3.16Å; K96-L99 PolarHBondContact O-N 3.45Å; K96-C100 WeakPolarHBondContact O-CB 3.12Å; K96-C100 PolarHBondContact O-N 3.43Å; K96-C111 PolarHBondContact O-SG 3.28Å; K96-E113 VanDerWaalsContact CE-OE1 3.3Å; K96-E113 WeakPolarHBondContact CE-OE1 3.5Å; K96-E113 IonicContact NZ-OE1 2.66Å; K96-E113 PolarHBondContact NZ-OE1 3.39Å; K96-E113 IonicContact NZ-OE2 3.19Å; K96-E113 PolarHBondContact NZ-OE2 3.1Å
97Q92.3Very high92.9Very high153 Ų15355.3 Ų55.372%0.71529%0.293SS*.Hα-helixtrans-53.3-38.4177.5-174.1-178-0.100112.8T95T95-Q97 PolarHBondContact O-N 2.79Å
98T94.1Very high92.5Very high19 Ų1957.7 Ų57.712%0.11730%0.303CS..Hα-helixtrans-66-44177.1-51.60000111.6T94 T95 K96 C100 R101 L140 L143 R144T94-T98 WeakPolarHBondContact OG1-CB 3.28Å; T94-T98 PolarHBondContact OG1-OG1 2.76Å; T95-T98 VanDerWaalsContact O-CB 3.31Å; T95-T98 WeakPolarHBondContact O-CB 3.24Å; T95-T98 PolarHBondContact O-N 2.94Å; T95-T98 PolarHBondContact OG1-N 2.91Å; T95-T98 PolarHBondContact OG1-OG1 2.89Å; K96-T98 PolarHBondContact O-N 2.99Å; K96-T98 VanDerWaalsContact O-N 3.16Å; T98-C100 VanDerWaalsContact C-N 3.31Å; T98-R101 WeakPolarHBondContact O-CB 3.48Å; T98-R101 PolarHBondContact O-N 3.47Å; T98-L140 HydrophobicContact CG2-CD1 4.31Å; T98-L143 HydrophobicContact CG2-CB 3.75Å; T98-R144 HydrophobicContact CG2-CB 4.5Å; T98-R144 HydrophobicContact CG2-CG 3.69Å
99L92.6Very high92.2Very high0 Ų060.6 Ų60.60%030%0.3CS..Hα-helixtrans-70.6-30.8-179.9-57-176.9000111.9V83 L85 T94 T95 K96 R101 L107 L110 C111V83-L99 HydrophobicContact CB-CD1 4.27Å; V83-L99 HydrophobicContact CG1-CD1 4.02Å; V83-L99 HydrophobicContact CG2-CD1 4.43Å; L85-L99 HydrophobicContact CD1-CD2 4.27Å; L85-L99 HydrophobicContact CD2-CD1 4.45Å; T94-L99 HydrophobicContact CG2-CD1 4.22Å; T94-L99 HydrophobicContact CG2-CD2 3.83Å; T94-L99 HydrophobicContact CG2-CG 3.96Å; T95-L99 PolarHBondContact O-N 2.85Å; K96-L99 PolarHBondContact O-N 3.45Å; L99-R101 PolarHBondContact O-N 2.86Å; L99-L107 HydrophobicContact CD2-CB 4.19Å; L99-L107 HydrophobicContact CD2-CD1 4.4Å; L99-L107 HydrophobicContact CD2-CD2 4.49Å; L99-L110 HydrophobicContact CD1-CB 4.08Å; L99-C111 HydrophobicContact CB-CB 4.19Å
100C91.2Very high91.8Very high43 Ų4358.2 Ų58.229%0.29127%0.274SS..THydrogen-bonded Turntrans-71.9-0.1176.4-95.40000114.7K96 T98 D102 F108 C111K96-C100 WeakPolarHBondContact O-CB 3.12Å; K96-C100 PolarHBondContact O-N 3.43Å; T98-C100 VanDerWaalsContact C-N 3.31Å; C100-D102 PolarHBondContact O-N 3.25Å; C100-F108 HydrophobicContact CB-CD2 4.42Å; C100-F108 HydrophobicContact CB-CE2 4.22Å; C100-C111 HydrophobicContact CB-CB 4.08Å; C100-C111 WeakPolarHBondContact CB-SG 3.33Å; C100-C111 WeakPolarHBondContact SG-CB 3.4Å; C100-C111 CovalentContact SG-SG 2.03Å; C100-C111 PolarHBondContact SG-SG 2.67Å
101R91.4Very high91.2Very high152 Ų15255.8 Ų55.857%0.57426%0.26SS*.THydrogen-bonded Turntrans-70.2-31.6-172.6-171.7167.4178.788.5-2.6113.9T98 L99 L143T98-R101 WeakPolarHBondContact O-CB 3.48Å; T98-R101 PolarHBondContact O-N 3.47Å; L99-R101 PolarHBondContact O-N 2.86Å; R101-L143 HydrophobicContact CB-CD2 4.33Å; R101-L143 WeakPolarHBondContact CD-O 3.45Å
102D91.3Very high90.5Very high27 Ų2756.2 Ų56.214%0.14427%0.266CS..  trans-122.3105.4175.6-167.5-21.9000110.3C100 K104 S105 F108C100-D102 PolarHBondContact O-N 3.25Å; D102-K104 PolarHBondContact O-N 2.87Å; D102-K104 VanDerWaalsContact O-N 3.14Å; D102-K104 PolarHBondContact OD1-N 2.84Å; D102-K104 VanDerWaalsContact OD1-N 3.1Å; D102-S105 WeakPolarHBondContact O-CB 3.47Å; D102-S105 PolarHBondContact O-N 2.83Å; D102-S105 VanDerWaalsContact O-N 3.08Å; D102-S105 PolarHBondContact O-OG 2.86Å; D102-F108 WeakPolarHBondContact O-CB 3.41Å
103P88.9Confident89.2Confident89 Ų8958.5 Ų58.558%0.57828%0.277SS*.THydrogen-bonded Turntrans-60.4-20.8-178.3-2534.8000115.4F108P103-F108 HydrophobicContact CB-CD2 4.36Å; P103-F108 HydrophobicContact CB-CE2 4.27Å; P103-F108 HydrophobicContact CB-CZ 4.39Å; P103-F108 HydrophobicContact CG-CE2 4.45Å
104K88.6Confident88.1Confident163 Ų16356.3 Ų56.371%0.70927%0.266SS*.THydrogen-bonded Turntrans-90.7-10-179.7-64.4-179.2179.81780112.7D102 N167D102-K104 PolarHBondContact O-N 2.87Å; D102-K104 VanDerWaalsContact O-N 3.14Å; D102-K104 PolarHBondContact OD1-N 2.84Å; D102-K104 VanDerWaalsContact OD1-N 3.1Å; K104-N167 PolarHBondContact O-ND2 2.77Å
105S91Very high86.7Confident4 Ų460.6 Ų60.63%0.02829%0.294CS..SBendtrans-73.4149.9-177.375.40000111.6D102 L107 F108 Y166D102-S105 WeakPolarHBondContact O-CB 3.47Å; D102-S105 PolarHBondContact O-N 2.83Å; D102-S105 VanDerWaalsContact O-N 3.08Å; D102-S105 PolarHBondContact O-OG 2.86Å; S105-L107 PolarHBondContact O-N 2.83Å; S105-L107 PolarHBondContact OG-N 3.15Å; S105-F108 VanDerWaalsContact O-CB 3.24Å; S105-F108 WeakPolarHBondContact O-CB 3.3Å; S105-F108 PolarHBondContact O-N 3.24Å; S105-F108 VanDerWaalsContact O-N 3.08Å; S105-F108 PolarHBondContact OG-N 2.53Å; S105-F108 VanDerWaalsContact OG-N 3.16Å; S105-Y166 CarbonylContact C-O 3.4Å; S105-Y166 WeakPolarHBondContact CA-O 3.15Å; S105-Y166 WeakPolarHBondContact CB-O 3.24Å
106F89.9Confident85.4Confident48 Ų4866.1 Ų66.121%0.21132%0.323CS..Hα-helixtrans-51-39.7167.8168-87.3000111.3F108 R109 L110 I129 Y166F106-F108 PolarHBondContact O-N 2.9Å; F106-R109 WeakPolarHBondContact O-CB 3.24Å; F106-R109 PolarHBondContact O-N 2.77Å; F106-L110 HydrophobicContact CE1-CD1 4.13Å; F106-I129 HydrophobicContact CE1-CD1 4.27Å; F106-Y166 HydrophobicContact CB-CD1 4.44Å; F106-Y166 AromaticContact CD1-CD1 3.98Å; F106-Y166 HydrophobicContact CD1-CD1 3.98Å; F106-Y166 HydrophobicContact CD1-CE1 4.31Å; F106-Y166 PolarHBondContact N-O 3.13Å
107L91.2Very high84.4Confident0 Ų064.8 Ų64.80%032%0.318CS..Hα-helixtrans-66.8-21.9-176.5-64.4173.1000113L99 S105 R109 L110 C111 I129 F136 L143 Y166L99-L107 HydrophobicContact CD2-CB 4.19Å; L99-L107 HydrophobicContact CD2-CD1 4.4Å; L99-L107 HydrophobicContact CD2-CD2 4.49Å; S105-L107 PolarHBondContact O-N 2.83Å; S105-L107 PolarHBondContact OG-N 3.15Å; L107-R109 VanDerWaalsContact C-N 3.27Å; L107-R109 PolarHBondContact O-N 2.74Å; L107-L110 HydrophobicContact CB-CD1 4.42Å; L107-L110 HydrophobicContact CD2-CD1 3.53Å; L107-L110 WeakPolarHBondContact O-CB 3.28Å; L107-L110 PolarHBondContact O-N 2.74Å; L107-C111 PolarHBondContact O-N 2.79Å; L107-I129 HydrophobicContact CD2-CD1 4.18Å; L107-F136 HydrophobicContact CD1-CE2 4.3Å; L107-F136 HydrophobicContact CD2-CE2 4.46Å; L107-L143 HydrophobicContact CD1-CD1 3.5Å; L107-Y166 HydrophobicContact CD1-CD1 4.04Å; L107-Y166 HydrophobicContact CD1-CG 4.23Å; L107-Y166 HydrophobicContact CD2-CD1 3.86Å; L107-Y166 HydrophobicContact CD2-CE1 4Å; L107-Y166 HydrophobicContact CG-CD1 3.73Å; L107-Y166 HydrophobicContact CG-CE1 4.37Å; L107-Y166 HydrophobicContact CG-CG 4.33Å
108F89.7Confident83.1Confident50 Ų5062 Ų6222%0.21931%0.308CS..Hα-helixtrans-62.4-35.2174.9-170.8-103.2000112.3C100 D102 P103 S105 F106 L110 C111 Q112C100-F108 HydrophobicContact CB-CD2 4.42Å; C100-F108 HydrophobicContact CB-CE2 4.22Å; D102-F108 WeakPolarHBondContact O-CB 3.41Å; P103-F108 HydrophobicContact CB-CD2 4.36Å; P103-F108 HydrophobicContact CB-CE2 4.27Å; P103-F108 HydrophobicContact CB-CZ 4.39Å; P103-F108 HydrophobicContact CG-CE2 4.45Å; S105-F108 VanDerWaalsContact O-CB 3.24Å; S105-F108 WeakPolarHBondContact O-CB 3.3Å; S105-F108 PolarHBondContact O-N 3.24Å; S105-F108 VanDerWaalsContact O-N 3.08Å; S105-F108 PolarHBondContact OG-N 2.53Å; S105-F108 VanDerWaalsContact OG-N 3.16Å; F106-F108 PolarHBondContact O-N 2.9Å; F108-L110 PolarHBondContact O-N 2.76Å; F108-C111 WeakPolarHBondContact O-CA 3.42Å; F108-C111 WeakPolarHBondContact O-CB 3.42Å; F108-C111 PolarHBondContact O-N 2.83Å; F108-Q112 HydrophobicContact CD1-CG 4.06Å; F108-Q112 HydrophobicContact CE1-CG 3.66Å; F108-Q112 HydrophobicContact CZ-CG 4.15Å; F108-Q112 PolarHBondContact O-N 3.09Å
109R87.6Confident81.8Confident105 Ų10565.8 Ų65.840%0.39634%0.335SS..Hα-helixtrans-62.1-35178.2-60.9-169.5-66.3149.2-3.1112.1F106 L107 C111 Q112 D114 L117F106-R109 WeakPolarHBondContact O-CB 3.24Å; F106-R109 PolarHBondContact O-N 2.77Å; L107-R109 VanDerWaalsContact C-N 3.27Å; L107-R109 PolarHBondContact O-N 2.74Å; R109-C111 VanDerWaalsContact C-N 3.28Å; R109-C111 PolarHBondContact O-N 2.87Å; R109-Q112 PolarHBondContact O-N 2.99Å; R109-D114 PolarHBondContact O-N 3.49Å; R109-L117 HydrophobicContact CB-CD1 3.94Å
110L85.7Confident81.2Confident5 Ų569.3 Ų69.33%0.02635%0.354CS..Hα-helixtrans-67.2-29.8174.3-56.2159.9000111.9L85 L99 F106 L107 F108 L117 Y127 I129L85-L110 HydrophobicContact CD2-CD1 4.04Å; L99-L110 HydrophobicContact CD1-CB 4.08Å; F106-L110 HydrophobicContact CE1-CD1 4.13Å; L107-L110 HydrophobicContact CB-CD1 4.42Å; L107-L110 HydrophobicContact CD2-CD1 3.53Å; L107-L110 WeakPolarHBondContact O-CB 3.28Å; L107-L110 PolarHBondContact O-N 2.74Å; F108-L110 PolarHBondContact O-N 2.76Å; L110-L117 HydrophobicContact CD2-CD1 3.93Å; L110-L117 HydrophobicContact CG-CD1 4.38Å; L110-Y127 HydrophobicContact CD2-CD1 3.29Å; L110-Y127 HydrophobicContact CD2-CD2 3.96Å; L110-Y127 HydrophobicContact CD2-CE1 3.74Å; L110-Y127 HydrophobicContact CD2-CE2 4.37Å; L110-Y127 HydrophobicContact CD2-CG 3.39Å; L110-I129 HydrophobicContact CD1-CD1 4.36Å
111C83.3Confident81Confident12 Ų1270.2 Ų70.28%0.08135%0.353CS..Hα-helixtrans-69.4-37.8176.4-167.50000111.8K96 L99 C100 L107 F108 R109 E113K96-C111 PolarHBondContact O-SG 3.28Å; L99-C111 HydrophobicContact CB-CB 4.19Å; C100-C111 HydrophobicContact CB-CB 4.08Å; C100-C111 WeakPolarHBondContact CB-SG 3.33Å; C100-C111 WeakPolarHBondContact SG-CB 3.4Å; C100-C111 CovalentContact SG-SG 2.03Å; C100-C111 PolarHBondContact SG-SG 2.67Å; L107-C111 PolarHBondContact O-N 2.79Å; F108-C111 WeakPolarHBondContact O-CA 3.42Å; F108-C111 WeakPolarHBondContact O-CB 3.42Å; F108-C111 PolarHBondContact O-N 2.83Å; R109-C111 VanDerWaalsContact C-N 3.28Å; R109-C111 PolarHBondContact O-N 2.87Å; C111-E113 PolarHBondContact O-N 2.82Å
112Q80.4Confident80.8Confident124 Ų12464.5 Ų64.558%0.57933%0.334SS*.THydrogen-bonded Turntrans-76.7-2.6-177.6-63.9-66.491.900113.7F108 R109 D114F108-Q112 HydrophobicContact CD1-CG 4.06Å; F108-Q112 HydrophobicContact CE1-CG 3.66Å; F108-Q112 HydrophobicContact CZ-CG 4.15Å; F108-Q112 PolarHBondContact O-N 3.09Å; R109-Q112 PolarHBondContact O-N 2.99Å; Q112-D114 VanDerWaalsContact C-N 3.26Å; Q112-D114 PolarHBondContact O-N 3.13Å
113E71Confident80.7Confident87 Ų8773.1 Ų73.141%0.40737%0.373SS..THydrogen-bonded Turntrans48.652.1-171.7-72.4177.1165.100110.8S80 K96 C111 P115S80-E113 PolarHBondContact OG-OE1 3.46Å; K96-E113 VanDerWaalsContact CE-OE1 3.3Å; K96-E113 WeakPolarHBondContact CE-OE1 3.5Å; K96-E113 IonicContact NZ-OE1 2.66Å; K96-E113 PolarHBondContact NZ-OE1 3.39Å; K96-E113 IonicContact NZ-OE2 3.19Å; K96-E113 PolarHBondContact NZ-OE2 3.1Å; C111-E113 PolarHBondContact O-N 2.82Å; E113-P115 WeakPolarHBondContact O-CD 3.34Å
114D69.9Low80.5Confident44 Ų4472.2 Ų72.224%0.23537%0.366CS..  trans-55.6118.7177.3-164.5-16.7000109.8R109 Q112 D116 L117R109-D114 PolarHBondContact O-N 3.49Å; Q112-D114 VanDerWaalsContact C-N 3.26Å; Q112-D114 PolarHBondContact O-N 3.13Å; D114-D116 PolarHBondContact O-N 3.28Å; D114-D116 VanDerWaalsContact O-N 3.1Å; D114-D116 PolarHBondContact OD1-N 3.34Å; D114-L117 HydrophobicContact CB-CD1 4.01Å; D114-L117 HydrophobicContact CB-CG 4.08Å; D114-L117 WeakPolarHBondContact O-CB 3.26Å; D114-L117 PolarHBondContact O-N 2.99Å
115P65.4Low80.4Confident94 Ų9466.4 Ų66.461%0.6135%0.353SS*.G310 helixtrans-57.4-25.5-178.1-23.933000113.1E113 L117 D118E113-P115 WeakPolarHBondContact O-CD 3.34Å; P115-L117 PolarHBondContact O-N 3.01Å; P115-D118 WeakPolarHBondContact O-CB 3.49Å; P115-D118 PolarHBondContact O-N 3.4Å
116D68.1Low80.5Confident130 Ų13066.2 Ų66.270%0.69535%0.351SS*.G310 helixtrans-69.1-14.3177.8-70.3-20.1000112.8D114D114-D116 PolarHBondContact O-N 3.28Å; D114-D116 VanDerWaalsContact O-N 3.1Å; D114-D116 PolarHBondContact OD1-N 3.34Å
117L69.9Low80.6Confident11 Ų1164.6 Ų64.66%0.05834%0.344CS..G310 helixtrans-98.73.9178.7-58.1178.5000113.1R109 L110 D114 P115 S119 D120 Y127R109-L117 HydrophobicContact CB-CD1 3.94Å; L110-L117 HydrophobicContact CD2-CD1 3.93Å; L110-L117 HydrophobicContact CG-CD1 4.38Å; D114-L117 HydrophobicContact CB-CD1 4.01Å; D114-L117 HydrophobicContact CB-CG 4.08Å; D114-L117 WeakPolarHBondContact O-CB 3.26Å; D114-L117 PolarHBondContact O-N 2.99Å; P115-L117 PolarHBondContact O-N 3.01Å; L117-S119 PolarHBondContact O-N 3.25Å; L117-D120 PolarHBondContact O-N 3.45Å; L117-D120 VanDerWaalsContact O-N 3.08Å; L117-Y127 HydrophobicContact CB-CE1 4.27Å
118D64.4Low80.7Confident94 Ų9468.7 Ų68.750%0.50337%0.365SS..G310 helixtrans-68.9-23.5178.1-81.1-22.4000112.7P115 D120 K121P115-D118 WeakPolarHBondContact O-CB 3.49Å; P115-D118 PolarHBondContact O-N 3.4Å; D118-D120 PolarHBondContact O-N 2.9Å; D118-K121 IonicContact OD1-NZ 3.34Å; D118-K121 PolarHBondContact OD1-NZ 3.42Å
119S65.6Low80.8Confident99 Ų9966.8 Ų66.869%0.69236%0.357SS*.G310 helixtrans-70.4-2017055.70000113.4L117 K121L117-S119 PolarHBondContact O-N 3.25Å; S119-K121 VanDerWaalsContact C-N 3.33Å; S119-K121 PolarHBondContact O-N 3.37Å
120D79.9Confident81.2Confident74 Ų7469.3 Ų69.340%0.39638%0.379SS..G310 helixtrans-100.728.2-173.5-59.1-17.3000111.1L117 D118 Y127 L128L117-D120 PolarHBondContact O-N 3.45Å; L117-D120 VanDerWaalsContact O-N 3.08Å; D118-D120 PolarHBondContact O-N 2.9Å; D120-Y127 CarbonylContact O-C 3.49Å; D120-Y127 WeakPolarHBondContact O-CA 3.48Å; D120-L128 VanDerWaalsContact C-CD1 3.42Å; D120-L128 WeakPolarHBondContact O-CD1 3.35Å; D120-L128 PolarHBondContact O-N 3.06Å
121K88.5Confident81.7Confident63 Ų6372.7 Ų72.727%0.27439%0.391SS..BIsolated β-bridgetrans-112.2139.1174.1-70.2173.6-176.4162.60110.9D118 S119 A126 Y127D118-K121 IonicContact OD1-NZ 3.34Å; D118-K121 PolarHBondContact OD1-NZ 3.42Å; S119-K121 VanDerWaalsContact C-N 3.33Å; S119-K121 PolarHBondContact O-N 3.37Å; K121-A126 WeakPolarHBondContact CA-O 3.38Å; K121-Y127 HydrophobicContact CD-CE1 4.19Å; K121-Y127 VanDerWaalsContact CE-OH 3.31Å; K121-Y127 WeakPolarHBondContact CE-OH 3.43Å; K121-Y127 HydrophobicContact CG-CD1 3.89Å; K121-Y127 HydrophobicContact CG-CE1 4.05Å; K121-Y127 HydrophobicContact CG-CG 4.44Å; K121-Y127 PolarHBondContact NZ-OH 3.26Å
122D87.4Confident82.2Confident32 Ų3275.3 Ų75.317%0.17140%0.404CS..  trans-79.9174.4174.168.319.2000111.6Y91 T124 G125 A126 L128Y91-D122 WeakPolarHBondContact CE1-OD2 3.38Å; Y91-D122 PolarHBondContact OH-OD2 2.75Å; D122-T124 PolarHBondContact O-N 2.96Å; D122-T124 VanDerWaalsContact OD1-C 3.24Å; D122-T124 WeakPolarHBondContact OD1-CA 3.4Å; D122-T124 WeakPolarHBondContact OD1-CB 3.42Å; D122-T124 PolarHBondContact OD1-N 2.99Å; D122-T124 PolarHBondContact OD1-OG1 2.86Å; D122-T124 PolarHBondContact OD2-OG1 3.1Å; D122-G125 PolarHBondContact O-N 3.15Å; D122-G125 PolarHBondContact OD1-N 3.35Å; D122-A126 PolarHBondContact N-O 3Å; D122-A126 PolarHBondContact OD1-N 3.46Å; D122-A126 WeakPolarHBondContact OD2-CB 3.4Å; D122-L128 HydrophobicContact CB-CD1 3.92Å
123E87.9Confident83Confident207 Ų20770.7 Ų70.797%0.96739%0.385SS*.THydrogen-bonded Turntrans-55.9-21176.4-60.2-178.9172.900113
124T85.8Confident84.2Confident71 Ų7170.5 Ų70.544%0.43639%0.39SS..THydrogen-bonded Turntrans-95.20.4-179.286.30000113.3R84 D122R84-T124 VanDerWaalsContact NH1-CB 3.26Å; R84-T124 PolarHBondContact NH1-O 3.49Å; R84-T124 PolarHBondContact NH1-OG1 2.93Å; R84-T124 PolarHBondContact NH2-OG1 3.5Å; D122-T124 PolarHBondContact O-N 2.96Å; D122-T124 VanDerWaalsContact OD1-C 3.24Å; D122-T124 WeakPolarHBondContact OD1-CA 3.4Å; D122-T124 WeakPolarHBondContact OD1-CB 3.42Å; D122-T124 PolarHBondContact OD1-N 2.99Å; D122-T124 PolarHBondContact OD1-OG1 2.86Å; D122-T124 PolarHBondContact OD2-OG1 3.1Å
125G86.6Confident85.4Confident41 Ų4171 Ų7142%0.42339%0.389SS..SBendtrans7717.6-178.700000114.6D122D122-G125 PolarHBondContact O-N 3.15Å; D122-G125 PolarHBondContact OD1-N 3.35Å
126A91.2Very high86.9Confident0 Ų066.5 Ų66.50%036%0.36CS..PPolyproline II helixtrans-87.2137.6174.600000110.8R84 N86 Y91 K121 D122 L128R84-A126 HydrophobicContact CB-CB 3.61Å; R84-A126 VanDerWaalsContact O-CA 3.3Å; R84-A126 WeakPolarHBondContact O-CA 3.37Å; N86-A126 HydrophobicContact CB-CB 4.3Å; Y91-A126 HydrophobicContact CD1-CB 4.18Å; Y91-A126 HydrophobicContact CE1-CB 3.97Å; K121-A126 WeakPolarHBondContact CA-O 3.38Å; D122-A126 PolarHBondContact N-O 3Å; D122-A126 PolarHBondContact OD1-N 3.46Å; D122-A126 WeakPolarHBondContact OD2-CB 3.4Å; A126-L128 PolarHBondContact O-N 3Å
127Y92.2Very high88.2Confident13 Ų1361.2 Ų61.25%0.05134%0.336CS..EExtended strand (participates in β ladder)trans-73.1125.9176.4-66.9-84.9000110.8V83 R84 L85 N86 L110 L117 D120 K121V83-Y127 HydrophobicContact CG1-CD2 3.63Å; V83-Y127 HydrophobicContact CG1-CE2 3.67Å; R84-Y127 PolarHBondContact O-N 3.14Å; L85-Y127 CarbonylContact C-O 3.6Å; L85-Y127 HydrophobicContact CD2-CD2 4.13Å; L85-Y127 HydrophobicContact CD2-CG 4.49Å; N86-Y127 PolarHBondContact N-O 3.36Å; L110-Y127 HydrophobicContact CD2-CD1 3.29Å; L110-Y127 HydrophobicContact CD2-CD2 3.96Å; L110-Y127 HydrophobicContact CD2-CE1 3.74Å; L110-Y127 HydrophobicContact CD2-CE2 4.37Å; L110-Y127 HydrophobicContact CD2-CG 3.39Å; L117-Y127 HydrophobicContact CB-CE1 4.27Å; D120-Y127 CarbonylContact O-C 3.49Å; D120-Y127 WeakPolarHBondContact O-CA 3.48Å; K121-Y127 HydrophobicContact CD-CE1 4.19Å; K121-Y127 VanDerWaalsContact CE-OH 3.31Å; K121-Y127 WeakPolarHBondContact CE-OH 3.43Å; K121-Y127 HydrophobicContact CG-CD1 3.89Å; K121-Y127 HydrophobicContact CG-CE1 4.05Å; K121-Y127 HydrophobicContact CG-CG 4.44Å; K121-Y127 PolarHBondContact NZ-OH 3.26Å
128L93.2Very high89.5Confident87 Ų8761.2 Ų61.246%0.45534%0.337SS..EExtended strand (participates in β ladder)trans-80.7131.4178.1-66.988.6000110.3N86 D120 D122 A126N86-L128 CarbonylContact O-C 3.57Å; D120-L128 VanDerWaalsContact C-CD1 3.42Å; D120-L128 WeakPolarHBondContact O-CD1 3.35Å; D120-L128 PolarHBondContact O-N 3.06Å; D122-L128 HydrophobicContact CB-CD1 3.92Å; A126-L128 PolarHBondContact O-N 3Å
129I93.8Very high91Very high9 Ų956.8 Ų56.85%0.04631%0.313CS..EExtended strand (participates in β ladder)trans-131.4115.4176.4-55.8-177.9000107.4L85 N86 V87 G88 F106 L107 L110 R131 F165 Y166L85-I129 HydrophobicContact CD2-CD1 4.46Å; N86-I129 PolarHBondContact O-N 3Å; V87-I129 CarbonylContact C-O 3.54Å; V87-I129 WeakPolarHBondContact CA-O 3.38Å; V87-I129 HydrophobicContact CG1-CB 4.43Å; V87-I129 HydrophobicContact CG1-CG2 4.34Å; V87-I129 HydrophobicContact CG2-CB 4.18Å; V87-I129 HydrophobicContact CG2-CD1 4.14Å; G88-I129 PolarHBondContact N-O 3.38Å; F106-I129 HydrophobicContact CE1-CD1 4.27Å; L107-I129 HydrophobicContact CD2-CD1 4.18Å; L110-I129 HydrophobicContact CD1-CD1 4.36Å; I129-R131 HydrophobicContact CG2-CB 3.96Å; I129-R131 HydrophobicContact CG2-CG 3.72Å; I129-R131 PolarHBondContact O-N 2.99Å; I129-F165 HydrophobicContact CG2-CE1 4.47Å; I129-Y166 HydrophobicContact CD1-CE1 4.48Å; I129-Y166 HydrophobicContact CG2-CE1 4.24Å
130D94.4Very high92.5Very high159 Ų15952.1 Ų52.185%0.8528%0.28SS*.  trans-81.866.9178.9-170.220.5000111.1
131R95.8Very high93.3Very high76 Ų7651.2 Ų51.229%0.28728%0.275SS..SBendtrans-139.1164.6179.4-64.7-58.5-62.9-178.2-3.9111.1V87 G88 I129 P133 E162 F165V87-R131 HydrophobicContact CG1-CB 4.08Å; V87-R131 WeakPolarHBondContact CG1-O 3.39Å; G88-R131 WeakPolarHBondContact CA-O 3.48Å; G88-R131 PolarHBondContact N-O 3.32Å; G88-R131 VanDerWaalsContact N-O 3.17Å; I129-R131 HydrophobicContact CG2-CB 3.96Å; I129-R131 HydrophobicContact CG2-CG 3.72Å; I129-R131 PolarHBondContact O-N 2.99Å; R131-P133 WeakPolarHBondContact O-CD 3.33Å; R131-E162 WeakPolarHBondContact CB-OE2 3.34Å; R131-E162 IonicContact CZ-OE1 3.26Å; R131-E162 IonicContact NE-OE1 2.69Å; R131-E162 PolarHBondContact NE-OE1 2.92Å; R131-E162 IonicContact NE-OE2 3.28Å; R131-E162 PolarHBondContact NE-OE2 3.01Å; R131-E162 IonicContact NH2-OE1 3.17Å; R131-E162 PolarHBondContact NH2-OE1 3.16Å; R131-F165 HydrophobicContact CG-CD1 3.81Å; R131-F165 HydrophobicContact CG-CE1 3.49Å; R131-F165 VanDerWaalsContact CG-CE1 3.49Å; R131-F165 HydrophobicContact CG-CE2 4.39Å; R131-F165 HydrophobicContact CG-CG 4.41Å; R131-F165 HydrophobicContact CG-CZ 3.81Å
132D94.8Very high93.7Very high67 Ų6749.4 Ų49.436%0.35827%0.267SS..  trans-72.9118.9179.9-171.8-18.1000111T134 Y135D132-T134 PolarHBondContact O-N 3.4Å; D132-T134 WeakPolarHBondContact OD1-CB 3.11Å; D132-T134 PolarHBondContact OD1-N 3.02Å; D132-T134 PolarHBondContact OD1-OG1 3.14Å; D132-Y135 HydrophobicContact CB-CD2 4.13Å; D132-Y135 WeakPolarHBondContact OD2-CE2 2.96Å
133P96.3Very high94.1Very high27 Ų2748 Ų4818%0.17526%0.26CS..Hα-helixtrans-65.7-22.4178.726.3-34.6000113.9V87 T90 F92 R131 Y135 F136V87-P133 HydrophobicContact CB-CB 4.48Å; V87-P133 WeakPolarHBondContact O-CB 3.37Å; T90-P133 HydrophobicContact CG2-CB 4.19Å; T90-P133 WeakPolarHBondContact OG1-CG 3.27Å; F92-P133 HydrophobicContact CE2-CB 3.91Å; F92-P133 HydrophobicContact CZ-CB 4.17Å; R131-P133 WeakPolarHBondContact O-CD 3.33Å; P133-Y135 VanDerWaalsContact C-N 3.29Å; P133-Y135 PolarHBondContact O-N 3.47Å; P133-F136 PolarHBondContact O-N 2.94Å
134T96.1Very high94.5Very high83 Ų8343.9 Ų43.951%0.50924%0.235SC..Hα-helixtrans-60.3-40.9-176.3-51.20000111.3D132 L154D132-T134 PolarHBondContact O-N 3.4Å; D132-T134 WeakPolarHBondContact OD1-CB 3.11Å; D132-T134 PolarHBondContact OD1-N 3.02Å; D132-T134 PolarHBondContact OD1-OG1 3.14Å; T134-L154 HydrophobicContact CG2-CD1 3.73Å
135Y96.4Very high94.9Very high54 Ų5444.6 Ų44.621%0.21223%0.233CC..Hα-helixtrans-92.8-11.5-178.3-60.8-73.2000113.3D132 P133 P138 I139 L154 A155 G158 V159 E162D132-Y135 HydrophobicContact CB-CD2 4.13Å; D132-Y135 WeakPolarHBondContact OD2-CE2 2.96Å; P133-Y135 VanDerWaalsContact C-N 3.29Å; P133-Y135 PolarHBondContact O-N 3.47Å; Y135-P138 WeakPolarHBondContact O-CD 3.41Å; Y135-I139 WeakPolarHBondContact O-CG1 3.16Å; Y135-L154 HydrophobicContact CD1-CD1 3.71Å; Y135-L154 HydrophobicContact CD1-CD2 4.21Å; Y135-L154 HydrophobicContact CD1-CG 3.87Å; Y135-L154 HydrophobicContact CE1-CD1 3.64Å; Y135-L154 HydrophobicContact CE1-CG 3.9Å; Y135-A155 HydrophobicContact CE1-CB 4.16Å; Y135-A155 WeakPolarHBondContact CE1-O 3.48Å; Y135-G158 VanDerWaalsContact CD1-C 3.44Å; Y135-V159 HydrophobicContact CD1-CG2 3.74Å; Y135-E162 VanDerWaalsContact CB-CG 3.45Å; Y135-E162 HydrophobicContact CG-CG 4.47Å
136F96.8Very high95.2Very high0 Ų043.9 Ų43.90%023%0.226CC..Hα-helixtrans-71.6-31.2-178.4-175.2-113.7000113.7L85 V87 F92 L107 P133 I139 L140 Y166L85-F136 HydrophobicContact CD1-CE1 4.01Å; L85-F136 HydrophobicContact CD1-CZ 3.68Å; V87-F136 HydrophobicContact CB-CD1 4.42Å; V87-F136 HydrophobicContact CG1-CB 4.16Å; V87-F136 HydrophobicContact CG1-CG 4.22Å; V87-F136 HydrophobicContact CG2-CD1 3.74Å; V87-F136 HydrophobicContact CG2-CD2 4.48Å; V87-F136 HydrophobicContact CG2-CE1 3.81Å; V87-F136 HydrophobicContact CG2-CG 4.08Å; V87-F136 HydrophobicContact CG2-CZ 4.23Å; F92-F136 HydrophobicContact CB-CE1 4.07Å; F92-F136 AromaticContact CD1-CD1 3.87Å; F92-F136 HydrophobicContact CD1-CD1 3.87Å; F92-F136 HydrophobicContact CD1-CE1 4.15Å; F92-F136 AromaticContact CD2-CD1 3.66Å; F92-F136 HydrophobicContact CD2-CD1 3.66Å; F92-F136 AromaticContact CD2-CE1 3.98Å; F92-F136 HydrophobicContact CD2-CE1 3.98Å; F92-F136 AromaticContact CE1-CD1 3.92Å; F92-F136 HydrophobicContact CE1-CD1 3.92Å; F92-F136 AromaticContact CE2-CD1 3.72Å; F92-F136 HydrophobicContact CE2-CD1 3.72Å; F92-F136 HydrophobicContact CE2-CE1 4.49Å; F92-F136 AromaticContact CG-CD1 3.74Å; F92-F136 HydrophobicContact CG-CD1 3.74Å; F92-F136 AromaticContact CG-CE1 3.79Å; F92-F136 HydrophobicContact CG-CE1 3.79Å; F92-F136 HydrophobicContact CZ-CB 4.4Å; F92-F136 AromaticContact CZ-CD1 3.85Å; F92-F136 HydrophobicContact CZ-CD1 3.85Å; L107-F136 HydrophobicContact CD1-CE2 4.3Å; L107-F136 HydrophobicContact CD2-CE2 4.46Å; P133-F136 PolarHBondContact O-N 2.94Å; F136-I139 HydrophobicContact CD2-CB 4.42Å; F136-I139 WeakPolarHBondContact O-CB 3.41Å; F136-I139 PolarHBondContact O-N 3.49Å; F136-I139 VanDerWaalsContact O-N 3.08Å; F136-L140 HydrophobicContact CD1-CB 4.47Å; F136-L140 HydrophobicContact CE1-CB 4.08Å; F136-L140 HydrophobicContact CE1-CD2 4.05Å; F136-L140 HydrophobicContact CE1-CG 4.48Å; F136-L140 HydrophobicContact CZ-CB 4.28Å; F136-L140 PolarHBondContact O-N 2.97Å; F136-Y166 HydrophobicContact CD2-CD2 4.47Å; F136-Y166 HydrophobicContact CD2-CE1 4.36Å; F136-Y166 AromaticContact CD2-CE2 3.59Å; F136-Y166 HydrophobicContact CD2-CE2 3.59Å; F136-Y166 AromaticContact CD2-CZ 3.53Å; F136-Y166 WeakPolarHBondContact CD2-OH 3.43Å; F136-Y166 HydrophobicContact CE2-CE1 4.06Å; F136-Y166 AromaticContact CE2-CE2 3.97Å; F136-Y166 HydrophobicContact CE2-CE2 3.97Å; F136-Y166 AromaticContact CE2-CZ 3.69Å
137G95.9Very high95.4Very high19 Ų1950.8 Ų50.820%0.19626%0.256CS..Hα-helixtrans-52.1-54.1-178.600000113.9I139 L140 N141G137-I139 VanDerWaalsContact C-N 3.31Å; G137-I139 PolarHBondContact O-N 3.39Å; G137-L140 PolarHBondContact O-N 2.85Å; G137-N141 WeakPolarHBondContact O-CB 3.46Å; G137-N141 PolarHBondContact O-N 2.96Å; G137-N141 PolarHBondContact O-ND2 2.78Å
138P96.5Very high95.5Very high11 Ų1152.3 Ų52.37%0.07127%0.265CS..Hα-helixtrans-56-39.5173.7-29.735.7000114.7Y135 N141 Y142 M150 L154 V159Y135-P138 WeakPolarHBondContact O-CD 3.41Å; P138-N141 PolarHBondContact O-N 3.19Å; P138-Y142 WeakPolarHBondContact O-CB 3.4Å; P138-Y142 PolarHBondContact O-N 2.88Å; P138-M150 HydrophobicContact CB-CG 3.81Å; P138-M150 HydrophobicContact CB-SD 4.46Å; P138-M150 HydrophobicContact CG-CG 3.93Å; P138-L154 HydrophobicContact CG-CD2 3.6Å; P138-V159 HydrophobicContact CB-CG1 4.15Å; P138-V159 HydrophobicContact CG-CG2 4.31Å
139I96.8Very high95.5Very high0 Ų052.8 Ų52.80%027%0.267CS..Hα-helixtrans-62.8-49.6178.7-48.6-55.2000110Y135 F136 G137 N141 Y142 L143 V159 E162 A163 Y166 I168 L171Y135-I139 WeakPolarHBondContact O-CG1 3.16Å; F136-I139 HydrophobicContact CD2-CB 4.42Å; F136-I139 WeakPolarHBondContact O-CB 3.41Å; F136-I139 PolarHBondContact O-N 3.49Å; F136-I139 VanDerWaalsContact O-N 3.08Å; G137-I139 VanDerWaalsContact C-N 3.31Å; G137-I139 PolarHBondContact O-N 3.39Å; I139-N141 VanDerWaalsContact C-N 3.32Å; I139-N141 PolarHBondContact O-N 3.02Å; I139-Y142 WeakPolarHBondContact O-CB 3.23Å; I139-Y142 PolarHBondContact O-N 2.75Å; I139-L143 PolarHBondContact O-N 3.3Å; I139-L143 VanDerWaalsContact O-N 3.1Å; I139-V159 HydrophobicContact CD1-CG1 3.73Å; I139-E162 HydrophobicContact CD1-CB 4.09Å; I139-E162 HydrophobicContact CG1-CB 4Å; I139-A163 HydrophobicContact CD1-CB 3.99Å; I139-Y166 HydrophobicContact CB-CD2 4.49Å; I139-Y166 HydrophobicContact CG1-CD2 4.28Å; I139-Y166 HydrophobicContact CG1-CE2 4.45Å; I139-Y166 HydrophobicContact CG2-CD2 3.85Å; I139-Y166 HydrophobicContact CG2-CG 4.43Å; I139-I168 HydrophobicContact CG2-CD1 3.46Å; I139-I168 VanDerWaalsContact CG2-CD1 3.46Å; I139-L171 HydrophobicContact CB-CD2 4.4Å; I139-L171 HydrophobicContact CD1-CD2 3.52Å; I139-L171 HydrophobicContact CG2-CD2 4.05Å
140L96.5Very high95.4Very high2 Ų254.3 Ų54.31%0.0127%0.274CS..Hα-helixtrans-63.9-39.7180-176.160.3000111.8F92 T94 T98 F136 G137 L143 R144F92-L140 HydrophobicContact CB-CD2 4.11Å; F92-L140 HydrophobicContact CD1-CD2 3.98Å; F92-L140 HydrophobicContact CG-CD2 4.41Å; T94-L140 HydrophobicContact CG2-CD1 4.13Å; T98-L140 HydrophobicContact CG2-CD1 4.31Å; F136-L140 HydrophobicContact CD1-CB 4.47Å; F136-L140 HydrophobicContact CE1-CB 4.08Å; F136-L140 HydrophobicContact CE1-CD2 4.05Å; F136-L140 HydrophobicContact CE1-CG 4.48Å; F136-L140 HydrophobicContact CZ-CB 4.28Å; F136-L140 PolarHBondContact O-N 2.97Å; G137-L140 PolarHBondContact O-N 2.85Å; L140-L143 PolarHBondContact O-N 3.48Å; L140-R144 WeakPolarHBondContact O-CG 3.47Å; L140-R144 PolarHBondContact O-N 3.49Å; L140-R144 VanDerWaalsContact O-N 3.08Å
141N96.7Very high95.1Very high54 Ų5452.9 Ų52.929%0.28927%0.267SS..Hα-helixtrans-65.6-40.8176.2-77.6-19.6000111.9G137 P138 I139 L143 R144 H145G137-N141 WeakPolarHBondContact O-CB 3.46Å; G137-N141 PolarHBondContact O-N 2.96Å; G137-N141 PolarHBondContact O-ND2 2.78Å; P138-N141 PolarHBondContact O-N 3.19Å; I139-N141 VanDerWaalsContact C-N 3.32Å; I139-N141 PolarHBondContact O-N 3.02Å; N141-L143 VanDerWaalsContact C-N 3.27Å; N141-L143 PolarHBondContact O-N 3.31Å; N141-R144 WeakPolarHBondContact O-CB 3.45Å; N141-R144 PolarHBondContact O-N 3.47Å; N141-R144 PolarHBondContact OD1-NH1 3.19Å; N141-H145 WeakPolarHBondContact CB-NE2 3.34Å; N141-H145 PolarHBondContact O-CD2 3.42Å; N141-H145 VanDerWaalsContact O-CD2 3.26Å; N141-H145 PolarHBondContact O-CE1 3.16Å; N141-H145 PolarHBondContact O-N 3.4Å; N141-H145 PolarHBondContact O-ND1 3.14Å; N141-H145 PolarHBondContact O-NE2 3.08Å; N141-H145 VanDerWaalsContact O-NE2 3.16Å
142Y97Very high94.7Very high25 Ų2559.1 Ų59.110%0.09830%0.296CS..Hα-helixtrans-56.2-42.6171.9178.7-98.8000111.8P138 I139 R144 G146 I168 S170 L171 L174P138-Y142 WeakPolarHBondContact O-CB 3.4Å; P138-Y142 PolarHBondContact O-N 2.88Å; I139-Y142 WeakPolarHBondContact O-CB 3.23Å; I139-Y142 PolarHBondContact O-N 2.75Å; Y142-R144 VanDerWaalsContact C-N 3.3Å; Y142-R144 PolarHBondContact O-N 3.23Å; Y142-G146 WeakPolarHBondContact O-CA 3.4Å; Y142-G146 PolarHBondContact O-N 3.17Å; Y142-I168 HydrophobicContact CD1-CG2 4.08Å; Y142-I168 HydrophobicContact CE1-CG2 3.74Å; Y142-S170 VanDerWaalsContact OH-CB 3.26Å; Y142-S170 WeakPolarHBondContact OH-CB 3.08Å; Y142-S170 PolarHBondContact OH-OG 2.74Å; Y142-L171 HydrophobicContact CD1-CB 3.88Å; Y142-L171 HydrophobicContact CD1-CD1 4.2Å; Y142-L171 HydrophobicContact CD1-CD2 3.92Å; Y142-L171 HydrophobicContact CD1-CG 4.24Å; Y142-L171 HydrophobicContact CD2-CD1 3.79Å; Y142-L171 HydrophobicContact CE1-CB 3.8Å; Y142-L171 HydrophobicContact CE2-CD1 4.27Å; Y142-L171 HydrophobicContact CG-CB 4.3Å; Y142-L171 HydrophobicContact CG-CD1 3.74Å; Y142-L171 HydrophobicContact CG-CD2 4.02Å; Y142-L171 HydrophobicContact CG-CG 4.25Å; Y142-L174 HydrophobicContact CD2-CD1 4.47Å; Y142-L174 HydrophobicContact CE2-CD1 3.61Å
143L95.2Very high94.4Very high4 Ų463.8 Ų63.82%0.02132%0.321CS..Hα-helixtrans-68.4-26.6175.9-64.4176.7000113.3T98 R101 L107 I139 L140 N141 I168T98-L143 HydrophobicContact CG2-CB 3.75Å; R101-L143 HydrophobicContact CB-CD2 4.33Å; R101-L143 WeakPolarHBondContact CD-O 3.45Å; L107-L143 HydrophobicContact CD1-CD1 3.5Å; I139-L143 PolarHBondContact O-N 3.3Å; I139-L143 VanDerWaalsContact O-N 3.1Å; L140-L143 PolarHBondContact O-N 3.48Å; N141-L143 VanDerWaalsContact C-N 3.27Å; N141-L143 PolarHBondContact O-N 3.31Å; L143-I168 HydrophobicContact CD1-CD1 4.16Å; L143-I168 HydrophobicContact CD2-CD1 4.03Å; L143-I168 HydrophobicContact CG-CD1 4.22Å
144R95.9Very high94.2Very high120 Ų12064 Ų6445%0.45332%0.32SS..Hα-helixtrans-74.3-45.9177.7-72.8170.3174.4169.8-5.7112.9I93 T98 L140 N141 Y142I93-R144 PolarHBondContact O-NH2 3.37Å; T98-R144 HydrophobicContact CG2-CB 4.5Å; T98-R144 HydrophobicContact CG2-CG 3.69Å; L140-R144 WeakPolarHBondContact O-CG 3.47Å; L140-R144 PolarHBondContact O-N 3.49Å; L140-R144 VanDerWaalsContact O-N 3.08Å; N141-R144 WeakPolarHBondContact O-CB 3.45Å; N141-R144 PolarHBondContact O-N 3.47Å; N141-R144 PolarHBondContact OD1-NH1 3.19Å; Y142-R144 VanDerWaalsContact C-N 3.3Å; Y142-R144 PolarHBondContact O-N 3.23Å
145H94.9Very high94.1Very high85 Ų8561.9 Ų61.939%0.39431%0.311SS..Hα-helixtrans-128.6-3.9-170.151.764.4000115.1N141 K147N141-H145 WeakPolarHBondContact CB-NE2 3.34Å; N141-H145 PolarHBondContact O-CD2 3.42Å; N141-H145 VanDerWaalsContact O-CD2 3.26Å; N141-H145 PolarHBondContact O-CE1 3.16Å; N141-H145 PolarHBondContact O-N 3.4Å; N141-H145 PolarHBondContact O-ND1 3.14Å; N141-H145 PolarHBondContact O-NE2 3.08Å; N141-H145 VanDerWaalsContact O-NE2 3.16Å; H145-K147 PolarHBondContact CE1-O 2.94Å; H145-K147 PolarHBondContact ND1-N 2.86Å; H145-K147 PolarHBondContact ND1-O 3.45Å; H145-K147 PolarHBondContact O-N 3.17Å
146G93.7Very high94Very high27 Ų2760.5 Ų60.528%0.27831%0.307SS..SBendtrans75.119.3175.600000115.2Y142Y142-G146 WeakPolarHBondContact O-CA 3.4Å; Y142-G146 PolarHBondContact O-N 3.17Å
147K94.9Very high94Very high145 Ų14565.9 Ų65.963%0.6333%0.332SS*.  trans-122.5138.7179.7-62.5-176.3178.2-179.90110H145 I149H145-K147 PolarHBondContact CE1-O 2.94Å; H145-K147 PolarHBondContact ND1-N 2.86Å; H145-K147 PolarHBondContact ND1-O 3.45Å; H145-K147 PolarHBondContact O-N 3.17Å; K147-I149 HydrophobicContact CB-CG1 4.35Å; K147-I149 PolarHBondContact O-N 3.24Å
148L94.4Very high94Very high44 Ų4465.6 Ų65.623%0.2333%0.329CS..  trans-78.9111.4172.6179.356.1000108.8M150 L171 L174 V175 R178L148-M150 HydrophobicContact CD1-CE 3.95Å; L148-M150 HydrophobicContact CD1-CG 3.7Å; L148-M150 HydrophobicContact CD1-SD 3.62Å; L148-M150 HydrophobicContact CD2-CE 3.99Å; L148-M150 HydrophobicContact CG-CE 4.05Å; L148-M150 HydrophobicContact CG-CG 4.36Å; L148-M150 HydrophobicContact CG-SD 4.36Å; L148-L171 HydrophobicContact CD1-CD1 3.77Å; L148-L174 HydrophobicContact CD2-CB 4.02Å; L148-V175 HydrophobicContact CD1-CG2 4.07Å; L148-V175 HydrophobicContact CD2-CB 4.49Å; L148-V175 HydrophobicContact CD2-CG2 3.8Å; L148-R178 HydrophobicContact CD2-CB 4.41Å
149I92.8Very high94Very high97 Ų9765.1 Ų65.150%0.49733%0.326SS..  trans-128.8119.1176.6-56.5177.2000106.9K147K147-I149 HydrophobicContact CB-CG1 4.35Å; K147-I149 PolarHBondContact O-N 3.24Å
150M90.6Very high94Very high41 Ų4166.3 Ų66.320%0.20233%0.332CS..  trans-138.6144.8-178.4-56.4-175.2-63.600108.9P138 L148 E156 V159 R178P138-M150 HydrophobicContact CB-CG 3.81Å; P138-M150 HydrophobicContact CB-SD 4.46Å; P138-M150 HydrophobicContact CG-CG 3.93Å; L148-M150 HydrophobicContact CD1-CE 3.95Å; L148-M150 HydrophobicContact CD1-CG 3.7Å; L148-M150 HydrophobicContact CD1-SD 3.62Å; L148-M150 HydrophobicContact CD2-CE 3.99Å; L148-M150 HydrophobicContact CG-CE 4.05Å; L148-M150 HydrophobicContact CG-CG 4.36Å; L148-M150 HydrophobicContact CG-SD 4.36Å; M150-E156 HydrophobicContact CE-CB 4.48Å; M150-E156 HydrophobicContact CE-CG 3.99Å; M150-V159 HydrophobicContact SD-CB 3.69Å; M150-V159 HydrophobicContact SD-CG1 3.56Å; M150-V159 VanDerWaalsContact SD-CG1 3.56Å; M150-V159 HydrophobicContact SD-CG2 3.52Å; M150-V159 VanDerWaalsContact SD-CG2 3.52Å; M150-R178 HydrophobicContact CE-CG 4.34Å
151D90.2Very high94.1Very high130 Ų13071.7 Ų71.770%0.69536%0.357SS*.  trans-71.6148.7174.4-68.4-33.8000110.6N153 L154D151-N153 PolarHBondContact O-N 2.98Å; D151-N153 VanDerWaalsContact O-N 3.11Å; D151-L154 WeakPolarHBondContact O-CB 3.46Å; D151-L154 PolarHBondContact O-N 3.24Å; D151-L154 VanDerWaalsContact O-N 3.08Å
152K86.2Confident94.1Very high207 Ų20769.4 Ų69.490%0.935%0.345SS*.THydrogen-bonded Turntrans-62.7-20.6-178.1-62.4-176.4-179.6-174.90114
153N88.8Confident94.1Very high164 Ų16468.2 Ų68.288%0.87734%0.34SS*.THydrogen-bonded Turntrans-93.4-4.9-177.8-57.8-17.9000112.3D151D151-N153 PolarHBondContact O-N 2.98Å; D151-N153 VanDerWaalsContact O-N 3.11Å
154L92.5Very high94.2Very high31 Ų3171.9 Ų71.916%0.16236%0.357CS..SBendtrans-88.7128.6178.8-167.370.3000108.9T134 Y135 P138 D151 E156 V159T134-L154 HydrophobicContact CG2-CD1 3.73Å; Y135-L154 HydrophobicContact CD1-CD1 3.71Å; Y135-L154 HydrophobicContact CD1-CD2 4.21Å; Y135-L154 HydrophobicContact CD1-CG 3.87Å; Y135-L154 HydrophobicContact CE1-CD1 3.64Å; Y135-L154 HydrophobicContact CE1-CG 3.9Å; P138-L154 HydrophobicContact CG-CD2 3.6Å; D151-L154 WeakPolarHBondContact O-CB 3.46Å; D151-L154 PolarHBondContact O-N 3.24Å; D151-L154 VanDerWaalsContact O-N 3.08Å; L154-E156 PolarHBondContact O-N 3.17Å; L154-V159 HydrophobicContact CD2-CG2 3.58Å; L154-V159 HydrophobicContact CG-CG2 4.15Å
155A94Very high94.2Very high39 Ų3970.2 Ų70.232%0.32235%0.353SS..  trans-64123.3177.600000110.4Y135 E157 G158 V159Y135-A155 HydrophobicContact CE1-CB 4.16Å; Y135-A155 WeakPolarHBondContact CE1-O 3.48Å; A155-E157 PolarHBondContact O-N 2.93Å; A155-G158 PolarHBondContact O-N 3.05Å; A155-V159 PolarHBondContact O-N 3.36Å
156E94.6Very high94.2Very high25 Ų2566.1 Ų66.112%0.11734%0.335CS..Hα-helixtrans-66.8-29.8-178.3-62-174.715800110.6M150 L154 V159 L160 V175 R178 I179M150-E156 HydrophobicContact CE-CB 4.48Å; M150-E156 HydrophobicContact CE-CG 3.99Å; L154-E156 PolarHBondContact O-N 3.17Å; E156-V159 PolarHBondContact O-N 2.97Å; E156-L160 PolarHBondContact O-N 3.43Å; E156-V175 WeakPolarHBondContact O-CG1 3.46Å; E156-R178 VanDerWaalsContact OE1-CG 3.23Å; E156-R178 WeakPolarHBondContact OE1-CG 3.46Å; E156-R178 IonicContact OE1-NE 2.78Å; E156-R178 PolarHBondContact OE1-NE 3.08Å; E156-I179 HydrophobicContact CB-CD1 4.11Å; E156-I179 HydrophobicContact CB-CG1 3.6Å; E156-I179 WeakPolarHBondContact OE2-CA 3.2Å; E156-I179 WeakPolarHBondContact OE2-CG1 3.47Å
157E95.3Very high94.3Very high114 Ų11469 Ų6953%0.53334%0.343SS..Hα-helixtrans-63.6-40.9174.8-60.476.3-168.100111.9A155 V159 L160 E161A155-E157 PolarHBondContact O-N 2.93Å; E157-V159 VanDerWaalsContact C-N 3.34Å; E157-V159 PolarHBondContact O-N 3.41Å; E157-L160 WeakPolarHBondContact O-CB 3.34Å; E157-L160 PolarHBondContact O-N 3.45Å; E157-E161 WeakPolarHBondContact O-CG 3.31Å; E157-E161 PolarHBondContact O-N 3.19Å
158G96Very high94.4Very high13 Ų1362 Ų6213%0.13431%0.313CS..Hα-helixtrans-67.5-35.7177.700000112.4Y135 A155 L160 E161 E162Y135-G158 VanDerWaalsContact CD1-C 3.44Å; A155-G158 PolarHBondContact O-N 3.05Å; G158-L160 VanDerWaalsContact C-N 3.32Å; G158-E161 PolarHBondContact O-N 3.26Å; G158-E162 PolarHBondContact O-N 3.03Å
159V96.9Very high94.4Very high0 Ų063 Ų630%033%0.328CS..Hα-helixtrans-68.2-35.4172.6-175.30000111Y135 P138 I139 M150 L154 A155 E156 E157 E162 A163 V175Y135-V159 HydrophobicContact CD1-CG2 3.74Å; P138-V159 HydrophobicContact CB-CG1 4.15Å; P138-V159 HydrophobicContact CG-CG2 4.31Å; I139-V159 HydrophobicContact CD1-CG1 3.73Å; M150-V159 HydrophobicContact SD-CB 3.69Å; M150-V159 HydrophobicContact SD-CG1 3.56Å; M150-V159 VanDerWaalsContact SD-CG1 3.56Å; M150-V159 HydrophobicContact SD-CG2 3.52Å; M150-V159 VanDerWaalsContact SD-CG2 3.52Å; L154-V159 HydrophobicContact CD2-CG2 3.58Å; L154-V159 HydrophobicContact CG-CG2 4.15Å; A155-V159 PolarHBondContact O-N 3.36Å; E156-V159 PolarHBondContact O-N 2.97Å; E157-V159 VanDerWaalsContact C-N 3.34Å; E157-V159 PolarHBondContact O-N 3.41Å; V159-E162 PolarHBondContact O-N 2.97Å; V159-A163 WeakPolarHBondContact O-CB 3.38Å; V159-A163 PolarHBondContact O-N 3.16Å; V159-V175 HydrophobicContact CG1-CG2 4.19Å
160L97.4Very high94.5Very high26 Ų2660.6 Ų60.614%0.13632%0.32CS..Hα-helixtrans-61-48.3176.2-179.859000111.4E156 E157 G158 E162 A163 E164 V172 V175 K176 I179E156-L160 PolarHBondContact O-N 3.43Å; E157-L160 WeakPolarHBondContact O-CB 3.34Å; E157-L160 PolarHBondContact O-N 3.45Å; G158-L160 VanDerWaalsContact C-N 3.32Å; L160-E162 VanDerWaalsContact C-N 3.34Å; L160-E162 PolarHBondContact O-N 2.99Å; L160-A163 PolarHBondContact O-N 3.16Å; L160-E164 HydrophobicContact CD1-CG 4.36Å; L160-E164 WeakPolarHBondContact O-CG 3.46Å; L160-E164 PolarHBondContact O-N 3.26Å; L160-V172 HydrophobicContact CD1-CG1 3.98Å; L160-V175 HydrophobicContact CB-CG1 3.77Å; L160-V175 HydrophobicContact CD1-CB 4.25Å; L160-V175 HydrophobicContact CD1-CG1 4.21Å; L160-K176 HydrophobicContact CD1-CD 4.43Å; L160-K176 HydrophobicContact CD1-CG 3.81Å; L160-K176 HydrophobicContact CD2-CG 4.1Å; L160-I179 HydrophobicContact CB-CD1 4.4Å; L160-I179 HydrophobicContact CD2-CD1 4.04Å
161E97.6Very high94.8Very high115 Ų11558.7 Ų58.754%0.53731%0.31SS..Hα-helixtrans-57-45.3176.7-70.6-65.2144.700111.9E157 G158 E164 F165E157-E161 WeakPolarHBondContact O-CG 3.31Å; E157-E161 PolarHBondContact O-N 3.19Å; G158-E161 PolarHBondContact O-N 3.26Å; E161-E164 PolarHBondContact O-N 3.07Å; E161-F165 WeakPolarHBondContact O-CB 3.5Å; E161-F165 PolarHBondContact O-N 3.3Å
162E97.1Very high95.1Very high6 Ų653.4 Ų53.43%0.02828%0.283CS..Hα-helixtrans-65.1-42.6175.4-69.6-51.5119.700112.3R131 Y135 I139 G158 V159 L160 E164 F165 Y166R131-E162 WeakPolarHBondContact CB-OE2 3.34Å; R131-E162 IonicContact CZ-OE1 3.26Å; R131-E162 IonicContact NE-OE1 2.69Å; R131-E162 PolarHBondContact NE-OE1 2.92Å; R131-E162 IonicContact NE-OE2 3.28Å; R131-E162 PolarHBondContact NE-OE2 3.01Å; R131-E162 IonicContact NH2-OE1 3.17Å; R131-E162 PolarHBondContact NH2-OE1 3.16Å; Y135-E162 VanDerWaalsContact CB-CG 3.45Å; Y135-E162 HydrophobicContact CG-CG 4.47Å; I139-E162 HydrophobicContact CD1-CB 4.09Å; I139-E162 HydrophobicContact CG1-CB 4Å; G158-E162 PolarHBondContact O-N 3.03Å; V159-E162 PolarHBondContact O-N 2.97Å; L160-E162 VanDerWaalsContact C-N 3.34Å; L160-E162 PolarHBondContact O-N 2.99Å; E162-E164 PolarHBondContact O-N 3.33Å; E162-F165 PolarHBondContact O-N 3.46Å; E162-Y166 HydrophobicContact CB-CD2 4.26Å; E162-Y166 HydrophobicContact CB-CE2 4.01Å; E162-Y166 HydrophobicContact CG-CE2 4.49Å; E162-Y166 WeakPolarHBondContact O-CD2 3.07Å; E162-Y166 PolarHBondContact O-N 3.23Å; E162-Y166 WeakPolarHBondContact OE2-CE2 3.21Å; E162-Y166 PolarHBondContact OE2-OH 2.9Å
163A96.9Very high95.6Very high0 Ų050.8 Ų50.80%027%0.267CS..Hα-helixtrans-61.5-35.4179.100000112.2I139 V159 L160 N167 I168 L171 V172I139-A163 HydrophobicContact CD1-CB 3.99Å; V159-A163 WeakPolarHBondContact O-CB 3.38Å; V159-A163 PolarHBondContact O-N 3.16Å; L160-A163 PolarHBondContact O-N 3.16Å; A163-N167 PolarHBondContact O-N 2.99Å; A163-I168 PolarHBondContact O-N 3.26Å; A163-L171 HydrophobicContact CB-CB 4.46Å; A163-L171 HydrophobicContact CB-CD2 4.02Å; A163-L171 HydrophobicContact CB-CG 3.9Å; A163-V172 HydrophobicContact CB-CG2 3.77Å; A163-V172 WeakPolarHBondContact O-CG2 3.39Å
164E96.7Very high96Very high81 Ų8145.3 Ų45.338%0.37924%0.237SC..Hα-helixtrans-71.8-43.7173.5-69.6-172.4167.100111.4L160 E161 E162 Y166 N167 V172 K176L160-E164 HydrophobicContact CD1-CG 4.36Å; L160-E164 WeakPolarHBondContact O-CG 3.46Å; L160-E164 PolarHBondContact O-N 3.26Å; E161-E164 PolarHBondContact O-N 3.07Å; E162-E164 PolarHBondContact O-N 3.33Å; E164-Y166 PolarHBondContact O-N 2.03Å; E164-N167 WeakPolarHBondContact O-CA 3.49Å; E164-N167 PolarHBondContact O-N 3.08Å; E164-V172 HydrophobicContact CB-CG2 4.47Å; E164-V172 HydrophobicContact CG-CG1 3.95Å; E164-V172 HydrophobicContact CG-CG2 3.7Å; E164-K176 VanDerWaalsContact OE1-CE 3.27Å; E164-K176 WeakPolarHBondContact OE1-CE 3.49Å; E164-K176 IonicContact OE1-NZ 3.56Å; E164-K176 PolarHBondContact OE1-NZ 3.21Å
165F96.2Very high96.1Very high84 Ų8443.8 Ų43.837%0.36823%0.229SC..Hα-helixtrans-57.6-48.8175.4175.1-95.3000112.6I129 R131 E161 E162 N167I129-F165 HydrophobicContact CG2-CE1 4.47Å; R131-F165 HydrophobicContact CG-CD1 3.81Å; R131-F165 HydrophobicContact CG-CE1 3.49Å; R131-F165 VanDerWaalsContact CG-CE1 3.49Å; R131-F165 HydrophobicContact CG-CE2 4.39Å; R131-F165 HydrophobicContact CG-CG 4.41Å; R131-F165 HydrophobicContact CG-CZ 3.81Å; E161-F165 WeakPolarHBondContact O-CB 3.5Å; E161-F165 PolarHBondContact O-N 3.3Å; E162-F165 PolarHBondContact O-N 3.46Å; F165-N167 PolarHBondContact O-N 3Å
166Y95.3Very high96.2Very high0 Ų046.8 Ų46.80%024%0.235CC..THydrogen-bonded Turntrans-74.5-4.6176.9-61.9-65.9000112.9S105 F106 L107 I129 F136 I139 E162 E164S105-Y166 CarbonylContact C-O 3.4Å; S105-Y166 WeakPolarHBondContact CA-O 3.15Å; S105-Y166 WeakPolarHBondContact CB-O 3.24Å; F106-Y166 HydrophobicContact CB-CD1 4.44Å; F106-Y166 AromaticContact CD1-CD1 3.98Å; F106-Y166 HydrophobicContact CD1-CD1 3.98Å; F106-Y166 HydrophobicContact CD1-CE1 4.31Å; F106-Y166 PolarHBondContact N-O 3.13Å; L107-Y166 HydrophobicContact CD1-CD1 4.04Å; L107-Y166 HydrophobicContact CD1-CG 4.23Å; L107-Y166 HydrophobicContact CD2-CD1 3.86Å; L107-Y166 HydrophobicContact CD2-CE1 4Å; L107-Y166 HydrophobicContact CG-CD1 3.73Å; L107-Y166 HydrophobicContact CG-CE1 4.37Å; L107-Y166 HydrophobicContact CG-CG 4.33Å; I129-Y166 HydrophobicContact CD1-CE1 4.48Å; I129-Y166 HydrophobicContact CG2-CE1 4.24Å; F136-Y166 HydrophobicContact CD2-CD2 4.47Å; F136-Y166 HydrophobicContact CD2-CE1 4.36Å; F136-Y166 AromaticContact CD2-CE2 3.59Å; F136-Y166 HydrophobicContact CD2-CE2 3.59Å; F136-Y166 AromaticContact CD2-CZ 3.53Å; F136-Y166 WeakPolarHBondContact CD2-OH 3.43Å; F136-Y166 HydrophobicContact CE2-CE1 4.06Å; F136-Y166 AromaticContact CE2-CE2 3.97Å; F136-Y166 HydrophobicContact CE2-CE2 3.97Å; F136-Y166 AromaticContact CE2-CZ 3.69Å; I139-Y166 HydrophobicContact CB-CD2 4.49Å; I139-Y166 HydrophobicContact CG1-CD2 4.28Å; I139-Y166 HydrophobicContact CG1-CE2 4.45Å; I139-Y166 HydrophobicContact CG2-CD2 3.85Å; I139-Y166 HydrophobicContact CG2-CG 4.43Å; E162-Y166 HydrophobicContact CB-CD2 4.26Å; E162-Y166 HydrophobicContact CB-CE2 4.01Å; E162-Y166 HydrophobicContact CG-CE2 4.49Å; E162-Y166 WeakPolarHBondContact O-CD2 3.07Å; E162-Y166 PolarHBondContact O-N 3.23Å; E162-Y166 WeakPolarHBondContact OE2-CE2 3.21Å; E162-Y166 PolarHBondContact OE2-OH 2.9Å; E164-Y166 PolarHBondContact O-N 2.03Å
167N95.9Very high96.2Very high86 Ų8649.3 Ų49.346%0.4625%0.247SC..THydrogen-bonded Turntrans55.849.9179.4-16825.4000113.7K104 A163 E164 F165K104-N167 PolarHBondContact O-ND2 2.77Å; A163-N167 PolarHBondContact O-N 2.99Å; E164-N167 WeakPolarHBondContact O-CA 3.49Å; E164-N167 PolarHBondContact O-N 3.08Å; F165-N167 PolarHBondContact O-N 3Å
168I96.2Very high96Very high0 Ų050.2 Ų50.20%025%0.245CC..  trans-102.882.9178-55.7165.9000108.6I139 Y142 L143 A163 S170 L171 V172I139-I168 HydrophobicContact CG2-CD1 3.46Å; I139-I168 VanDerWaalsContact CG2-CD1 3.46Å; Y142-I168 HydrophobicContact CD1-CG2 4.08Å; Y142-I168 HydrophobicContact CE1-CG2 3.74Å; L143-I168 HydrophobicContact CD1-CD1 4.16Å; L143-I168 HydrophobicContact CD2-CD1 4.03Å; L143-I168 HydrophobicContact CG-CD1 4.22Å; A163-I168 PolarHBondContact O-N 3.26Å; I168-S170 VanDerWaalsContact C-N 3.27Å; I168-S170 PolarHBondContact O-N 3.33Å; I168-S170 VanDerWaalsContact O-N 3.15Å; I168-L171 HydrophobicContact CB-CB 4Å; I168-L171 HydrophobicContact CD1-CD2 4.38Å; I168-L171 HydrophobicContact CG2-CB 3.55Å; I168-L171 HydrophobicContact CG2-CD2 4.43Å; I168-L171 WeakPolarHBondContact O-CB 3.42Å; I168-L171 PolarHBondContact O-N 3.16Å; I168-V172 WeakPolarHBondContact O-CG2 3.44Å; I168-V172 PolarHBondContact O-N 2.98Å
169A95.2Very high95.9Very high65 Ų6551.3 Ų51.354%0.53725%0.248SC..Hα-helixtrans-56.5-37-169.400000114L171 R173A169-L171 VanDerWaalsContact C-N 3.33Å; A169-L171 PolarHBondContact O-N 2.88Å; A169-R173 PolarHBondContact O-N 3.1Å; A169-R173 VanDerWaalsContact O-N 3.14Å
170S95.8Very high95.6Very high46 Ų4657.8 Ų57.832%0.32227%0.272SS..Hα-helixtrans-67.1-34.8178.156.60000112.4Y142 I168 L174Y142-S170 VanDerWaalsContact OH-CB 3.26Å; Y142-S170 WeakPolarHBondContact OH-CB 3.08Å; Y142-S170 PolarHBondContact OH-OG 2.74Å; I168-S170 VanDerWaalsContact C-N 3.27Å; I168-S170 PolarHBondContact O-N 3.33Å; I168-S170 VanDerWaalsContact O-N 3.15Å; S170-L174 WeakPolarHBondContact O-CG 3Å; S170-L174 PolarHBondContact O-N 3.18Å
171L96.3Very high95.2Very high0 Ų060 Ų600%028%0.284CS..Hα-helixtrans-73.4-45176.4179.656000111.1I139 Y142 L148 A163 I168 A169 R173 L174 V175I139-L171 HydrophobicContact CB-CD2 4.4Å; I139-L171 HydrophobicContact CD1-CD2 3.52Å; I139-L171 HydrophobicContact CG2-CD2 4.05Å; Y142-L171 HydrophobicContact CD1-CB 3.88Å; Y142-L171 HydrophobicContact CD1-CD1 4.2Å; Y142-L171 HydrophobicContact CD1-CD2 3.92Å; Y142-L171 HydrophobicContact CD1-CG 4.24Å; Y142-L171 HydrophobicContact CD2-CD1 3.79Å; Y142-L171 HydrophobicContact CE1-CB 3.8Å; Y142-L171 HydrophobicContact CE2-CD1 4.27Å; Y142-L171 HydrophobicContact CG-CB 4.3Å; Y142-L171 HydrophobicContact CG-CD1 3.74Å; Y142-L171 HydrophobicContact CG-CD2 4.02Å; Y142-L171 HydrophobicContact CG-CG 4.25Å; L148-L171 HydrophobicContact CD1-CD1 3.77Å; A163-L171 HydrophobicContact CB-CB 4.46Å; A163-L171 HydrophobicContact CB-CD2 4.02Å; A163-L171 HydrophobicContact CB-CG 3.9Å; I168-L171 HydrophobicContact CB-CB 4Å; I168-L171 HydrophobicContact CD1-CD2 4.38Å; I168-L171 HydrophobicContact CG2-CB 3.55Å; I168-L171 HydrophobicContact CG2-CD2 4.43Å; I168-L171 WeakPolarHBondContact O-CB 3.42Å; I168-L171 PolarHBondContact O-N 3.16Å; A169-L171 VanDerWaalsContact C-N 3.33Å; A169-L171 PolarHBondContact O-N 2.88Å; L171-R173 PolarHBondContact O-N 3.4Å; L171-L174 WeakPolarHBondContact O-CB 3.48Å; L171-L174 PolarHBondContact O-N 2.97Å; L171-V175 HydrophobicContact CD1-CG2 4.04Å; L171-V175 HydrophobicContact CG-CG2 4.35Å; L171-V175 WeakPolarHBondContact O-CG2 3.24Å; L171-V175 PolarHBondContact O-N 3.25Å
172V96.8Very high94.7Very high20 Ų2058.2 Ų58.212%0.12128%0.278CS..Hα-helixtrans-51.2-46.7174.6172.90000110.7L160 A163 E164 I168 L174 V175 K176L160-V172 HydrophobicContact CD1-CG1 3.98Å; A163-V172 HydrophobicContact CB-CG2 3.77Å; A163-V172 WeakPolarHBondContact O-CG2 3.39Å; E164-V172 HydrophobicContact CB-CG2 4.47Å; E164-V172 HydrophobicContact CG-CG1 3.95Å; E164-V172 HydrophobicContact CG-CG2 3.7Å; I168-V172 WeakPolarHBondContact O-CG2 3.44Å; I168-V172 PolarHBondContact O-N 2.98Å; V172-L174 PolarHBondContact O-N 3.32Å; V172-V175 PolarHBondContact O-N 3.42Å; V172-K176 HydrophobicContact CG1-CD 4.18Å; V172-K176 WeakPolarHBondContact O-CG 3.38Å; V172-K176 PolarHBondContact O-N 3.42Å
173R96.4Very high94.1Very high152 Ų15263.6 Ų63.657%0.57430%0.304SS*.Hα-helixtrans-60-45.2177-172.3-179.264.476.1-0.1112.4A169 L171 K176 E177A169-R173 PolarHBondContact O-N 3.1Å; A169-R173 VanDerWaalsContact O-N 3.14Å; L171-R173 PolarHBondContact O-N 3.4Å; R173-K176 PolarHBondContact O-N 3.44Å; R173-E177 IonicContact NH1-OE2 2.67Å; R173-E177 WeakPolarHBondContact O-CB 3.47Å; R173-E177 PolarHBondContact O-N 3.32Å
174L96.2Very high93.4Very high48 Ų4867.7 Ų67.725%0.25133%0.325SS..Hα-helixtrans-65.7-38.8-179.6-69.8171000112.1Y142 L148 S170 L171 V172 R178Y142-L174 HydrophobicContact CD2-CD1 4.47Å; Y142-L174 HydrophobicContact CE2-CD1 3.61Å; L148-L174 HydrophobicContact CD2-CB 4.02Å; S170-L174 WeakPolarHBondContact O-CG 3Å; S170-L174 PolarHBondContact O-N 3.18Å; L171-L174 WeakPolarHBondContact O-CB 3.48Å; L171-L174 PolarHBondContact O-N 2.97Å; V172-L174 PolarHBondContact O-N 3.32Å; L174-R178 WeakPolarHBondContact O-CB 3.2Å; L174-R178 PolarHBondContact O-N 3.08Å
175V96.1Very high92.5Very high0 Ų073.3 Ų73.30%034%0.343CS..Hα-helixtrans-68.8-43.8177.5-179.80000110.7L148 E156 V159 L160 L171 V172 E177 R178 I179L148-V175 HydrophobicContact CD1-CG2 4.07Å; L148-V175 HydrophobicContact CD2-CB 4.49Å; L148-V175 HydrophobicContact CD2-CG2 3.8Å; E156-V175 WeakPolarHBondContact O-CG1 3.46Å; V159-V175 HydrophobicContact CG1-CG2 4.19Å; L160-V175 HydrophobicContact CB-CG1 3.77Å; L160-V175 HydrophobicContact CD1-CB 4.25Å; L160-V175 HydrophobicContact CD1-CG1 4.21Å; L171-V175 HydrophobicContact CD1-CG2 4.04Å; L171-V175 HydrophobicContact CG-CG2 4.35Å; L171-V175 WeakPolarHBondContact O-CG2 3.24Å; L171-V175 PolarHBondContact O-N 3.25Å; V172-V175 PolarHBondContact O-N 3.42Å; V175-E177 VanDerWaalsContact C-N 3.33Å; V175-E177 PolarHBondContact O-N 2.97Å; V175-R178 WeakPolarHBondContact O-CB 3.48Å; V175-R178 PolarHBondContact O-N 3.38Å; V175-R178 VanDerWaalsContact O-N 3.16Å; V175-I179 HydrophobicContact CG1-CD1 3.96Å; V175-I179 HydrophobicContact CG1-CG1 4.45Å; V175-I179 WeakPolarHBondContact O-CG1 3.42Å; V175-I179 PolarHBondContact O-N 3.26Å
176K95.6Very high91.4Very high102 Ų10274.4 Ų74.444%0.44336%0.357SS..Hα-helixtrans-60.4-41.4175.3-71.8-177-175.2-179.20112.6L160 E164 V172 R173 R178 R180L160-K176 HydrophobicContact CD1-CD 4.43Å; L160-K176 HydrophobicContact CD1-CG 3.81Å; L160-K176 HydrophobicContact CD2-CG 4.1Å; E164-K176 VanDerWaalsContact OE1-CE 3.27Å; E164-K176 WeakPolarHBondContact OE1-CE 3.49Å; E164-K176 IonicContact OE1-NZ 3.56Å; E164-K176 PolarHBondContact OE1-NZ 3.21Å; V172-K176 HydrophobicContact CG1-CD 4.18Å; V172-K176 WeakPolarHBondContact O-CG 3.38Å; V172-K176 PolarHBondContact O-N 3.42Å; R173-K176 PolarHBondContact O-N 3.44Å; K176-R178 VanDerWaalsContact C-N 3.35Å; K176-R180 PolarHBondContact O-N 3.25Å; K176-R180 VanDerWaalsContact O-N 3.14Å
177E94.4Very high90.1Very high77 Ų7778.5 Ų78.536%0.3639%0.385SS..Hα-helixtrans-62.2-43.9175-178168.4-154.800111.4R173 V175 R180 D181R173-E177 IonicContact NH1-OE2 2.67Å; R173-E177 WeakPolarHBondContact O-CB 3.47Å; R173-E177 PolarHBondContact O-N 3.32Å; V175-E177 VanDerWaalsContact C-N 3.33Å; V175-E177 PolarHBondContact O-N 2.97Å; E177-R180 PolarHBondContact O-N 2.9Å; E177-D181 VanDerWaalsContact O-CG 3.31Å; E177-D181 PolarHBondContact O-N 2.88Å
178R92.1Very high88.7Confident133 Ų13380.3 Ų80.350%0.50239%0.391SS..Hα-helixtrans-60.6-46.9177.3178.963.5-178.8-171.4-0112.8L148 M150 E156 L174 V175 K176 R180 D181 N182L148-R178 HydrophobicContact CD2-CB 4.41Å; M150-R178 HydrophobicContact CE-CG 4.34Å; E156-R178 VanDerWaalsContact OE1-CG 3.23Å; E156-R178 WeakPolarHBondContact OE1-CG 3.46Å; E156-R178 IonicContact OE1-NE 2.78Å; E156-R178 PolarHBondContact OE1-NE 3.08Å; L174-R178 WeakPolarHBondContact O-CB 3.2Å; L174-R178 PolarHBondContact O-N 3.08Å; V175-R178 WeakPolarHBondContact O-CB 3.48Å; V175-R178 PolarHBondContact O-N 3.38Å; V175-R178 VanDerWaalsContact O-N 3.16Å; K176-R178 VanDerWaalsContact C-N 3.35Å; R178-R180 PolarHBondContact O-N 3.47Å; R178-D181 PolarHBondContact O-N 3.17Å; R178-N182 WeakPolarHBondContact O-CB 3.07Å; R178-N182 PolarHBondContact O-N 3.08Å
179I92.6Very high87.3Confident36 Ų3682.7 Ų82.719%0.18542%0.415CS..Hα-helixtrans-59.3-48178.1-69.3167.1000110.2E156 L160 V175 D181 N182 E183E156-I179 HydrophobicContact CB-CD1 4.11Å; E156-I179 HydrophobicContact CB-CG1 3.6Å; E156-I179 WeakPolarHBondContact OE2-CA 3.2Å; E156-I179 WeakPolarHBondContact OE2-CG1 3.47Å; L160-I179 HydrophobicContact CB-CD1 4.4Å; L160-I179 HydrophobicContact CD2-CD1 4.04Å; V175-I179 HydrophobicContact CG1-CD1 3.96Å; V175-I179 HydrophobicContact CG1-CG1 4.45Å; V175-I179 WeakPolarHBondContact O-CG1 3.42Å; V175-I179 PolarHBondContact O-N 3.26Å; I179-D181 VanDerWaalsContact C-N 3.34Å; I179-D181 PolarHBondContact O-N 3.42Å; I179-N182 PolarHBondContact O-N 3.41Å; I179-E183 PolarHBondContact O-N 3.11Å
180R90.8Very high86.1Confident137 Ų13785.5 Ų85.552%0.51743%0.428SS..Hα-helixtrans-61-41.1178.4-176.3-175.264.5174.6-3112.4K176 E177 R178 N182 E183 N184K176-R180 PolarHBondContact O-N 3.25Å; K176-R180 VanDerWaalsContact O-N 3.14Å; E177-R180 PolarHBondContact O-N 2.9Å; R178-R180 PolarHBondContact O-N 3.47Å; R180-N182 VanDerWaalsContact C-N 3.32Å; R180-E183 PolarHBondContact O-N 3.19Å; R180-N184 WeakPolarHBondContact O-CB 3.49Å; R180-N184 VanDerWaalsContact O-CG 3.23Å; R180-N184 PolarHBondContact O-N 3.33Å; R180-N184 PolarHBondContact O-ND2 2.92Å
181D88.5Confident85.3Confident72 Ų7287.1 Ų87.139%0.38544%0.436SS..Hα-helixtrans-67.5-35.8178.1-72.3-8.7000111.9E177 R178 I179 R185E177-D181 VanDerWaalsContact O-CG 3.31Å; E177-D181 PolarHBondContact O-N 2.88Å; R178-D181 PolarHBondContact O-N 3.17Å; I179-D181 VanDerWaalsContact C-N 3.34Å; I179-D181 PolarHBondContact O-N 3.42Å; D181-R185 WeakPolarHBondContact O-CB 3.3Å; D181-R185 WeakPolarHBondContact O-CG 3.46Å; D181-R185 PolarHBondContact O-N 2.66Å
182N87Confident84.7Confident77 Ų7792.9 Ų92.941%0.41246%0.461SS..Hα-helixtrans-69.2-41.1175.5-169.346.6000111.9R178 I179 R180 R185 T186R178-N182 WeakPolarHBondContact O-CB 3.07Å; R178-N182 PolarHBondContact O-N 3.08Å; I179-N182 PolarHBondContact O-N 3.41Å; R180-N182 VanDerWaalsContact C-N 3.32Å; N182-R185 PolarHBondContact O-N 3.22Å; N182-T186 WeakPolarHBondContact O-CB 3.37Å; N182-T186 PolarHBondContact O-N 3.48Å; N182-T186 PolarHBondContact O-OG1 3.24Å
183E85.2Confident84.4Confident120 Ų12095.5 Ų95.556%0.56147%0.472SS*.Hα-helixtrans-60.4-50.2172.1-171.6-179.2-176.400110.2I179 R180 R185 T186 S187I179-E183 PolarHBondContact O-N 3.11Å; R180-E183 PolarHBondContact O-N 3.19Å; E183-R185 VanDerWaalsContact C-N 3.28Å; E183-R185 PolarHBondContact O-N 3.5Å; E183-T186 CarbonylContact O-C 3.59Å; E183-T186 PolarHBondContact O-N 3.05Å; E183-S187 WeakPolarHBondContact O-CB 3.42Å; E183-S187 PolarHBondContact O-N 3.37Å; E183-S187 PolarHBondContact O-OG 2.97Å
184N81.8Confident84.2Confident85 Ų8590.7 Ų90.746%0.45546%0.459SS..Hα-helixtrans-57.4-38.9177-75.9-21.9000113.1R180 Q188R180-N184 WeakPolarHBondContact O-CB 3.49Å; R180-N184 VanDerWaalsContact O-CG 3.23Å; R180-N184 PolarHBondContact O-N 3.33Å; R180-N184 PolarHBondContact O-ND2 2.92Å; N184-Q188 WeakPolarHBondContact O-CG 3.41Å; N184-Q188 PolarHBondContact O-N 3.29Å
185R77.9Confident84.2Confident200 Ų20094.9 Ų94.976%0.75547%0.473SS*.Hα-helixtrans-67.7-38.4175.5-81.7179.6153.8-84.9-4112.4D181 N182 E183D181-R185 WeakPolarHBondContact O-CB 3.3Å; D181-R185 WeakPolarHBondContact O-CG 3.46Å; D181-R185 PolarHBondContact O-N 2.66Å; N182-R185 PolarHBondContact O-N 3.22Å; E183-R185 VanDerWaalsContact C-N 3.28Å; E183-R185 PolarHBondContact O-N 3.5Å
186T73.6Confident84.1Confident107 Ų107101.5 Ų101.566%0.65650%0.498SS*.Hα-helixtrans-74.1-35.6178.5-55.70000111.6N182 E183N182-T186 WeakPolarHBondContact O-CB 3.37Å; N182-T186 PolarHBondContact O-N 3.48Å; N182-T186 PolarHBondContact O-OG1 3.24Å; E183-T186 CarbonylContact O-C 3.59Å; E183-T186 PolarHBondContact O-N 3.05Å
187S68.6Low84.1Confident85 Ų85101 Ų10159%0.59450%0.503SS*.Hα-helixtrans-80.8-14.2179.4-57.90000113.7E183 G189E183-S187 WeakPolarHBondContact O-CB 3.42Å; E183-S187 PolarHBondContact O-N 3.37Å; E183-S187 PolarHBondContact O-OG 2.97Å; S187-G189 PolarHBondContact O-N 3.34Å
188Q66.6Low84Confident124 Ų124100.2 Ų100.258%0.57950%0.501SS*.  trans-68.888.5164.6-82.5-173.17.300108.6N184N184-Q188 WeakPolarHBondContact O-CG 3.41Å; N184-Q188 PolarHBondContact O-N 3.29Å
189G65.3Low84Confident50 Ų5099.9 Ų99.952%0.51551%0.505SS..  trans-57.5177.5169.200000112.4S187 V191S187-G189 PolarHBondContact O-N 3.34Å; G189-V191 PolarHBondContact O-N 3.05Å
190P70.5Confident83.8Confident124 Ų12498.5 Ų98.581%0.80550%0.498SS*.SBendtrans-53.4140.3-179.522.6-32.8000111.1K192P190-K192 PolarHBondContact O-N 3.43Å; P190-K192 VanDerWaalsContact O-N 3.1Å
191V78.2Confident83.7Confident81 Ų8194.5 Ų94.549%0.49149%0.486SS..PPolyproline II helixtrans-54.7119.2-179.3-168.50000108.7G189 H193 E245G189-V191 PolarHBondContact O-N 3.05Å; V191-H193 PolarHBondContact O-ND1 2.93Å; V191-E245 HydrophobicContact CG1-CB 3.91Å; V191-E245 HydrophobicContact CG1-CG 3.95Å
192K84.8Confident83.7Confident120 Ų12096.5 Ų96.552%0.52249%0.493SS..EExtended strand (participates in β ladder)trans-72.7136178.4-68176.1-175.4164.90108P190 L246 N248P190-K192 PolarHBondContact O-N 3.43Å; P190-K192 VanDerWaalsContact O-N 3.1Å; K192-L246 HydrophobicContact CB-CB 4.01Å; K192-L246 HydrophobicContact CB-CD1 4.26Å; K192-L246 WeakPolarHBondContact O-CB 3.07Å; K192-L246 PolarHBondContact O-N 3.27Å; K192-N248 PolarHBondContact NZ-OD1 3.5Å; K192-N248 VanDerWaalsContact NZ-OD1 3.13Å
193H90.1Very high83.8Confident76 Ų7699.4 Ų99.435%0.35250%0.504SS..EExtended strand (participates in β ladder)trans-111.8139.3175-70.768.3000109.4V191 Y195 R244 E245V191-H193 PolarHBondContact O-ND1 2.93Å; H193-Y195 HydrophobicContact CB-CD2 4.44Å; H193-Y195 HydrophobicContact CB-CE2 3.66Å; H193-R244 WeakPolarHBondContact CA-O 3.48Å; H193-E245 VanDerWaalsContact NE2-CG 3.3Å; H193-E245 WeakPolarHBondContact NE2-CG 3.42Å
194V93.3Very high84.1Confident51 Ų5198.4 Ų98.431%0.30950%0.499SS..EExtended strand (participates in β ladder)trans-105129.5168.9178.70000108.1W216 S243 R244 L246V194-W216 HydrophobicContact CG1-CH2 4.17Å; V194-S243 CarbonylContact O-C 3.52Å; V194-S243 VanDerWaalsContact O-CA 3.24Å; V194-S243 WeakPolarHBondContact O-CA 3.48Å; V194-R244 PolarHBondContact N-O 2.68Å; V194-R244 PolarHBondContact O-N 2.86Å; V194-L246 HydrophobicContact CG2-CD1 3.25Å; V194-L246 HydrophobicContact CG2-CD2 4.47Å; V194-L246 HydrophobicContact CG2-CG 3.7Å
195Y95Very high84.4Confident136 Ų13695.8 Ų95.853%0.53349%0.485SS..EExtended strand (participates in β ladder)trans-105.7144176.4-63.2-91.5000110.7H193 E219 V241 V242H193-Y195 HydrophobicContact CB-CD2 4.44Å; H193-Y195 HydrophobicContact CB-CE2 3.66Å; Y195-E219 HydrophobicContact CD1-CG 4.47Å; Y195-E219 HydrophobicContact CE1-CG 4.16Å; Y195-V241 HydrophobicContact CD1-CG1 4.28Å; Y195-V242 CarbonylContact C-O 3.58Å; Y195-V242 VanDerWaalsContact CA-O 3.28Å; Y195-V242 WeakPolarHBondContact CA-O 3.21Å
196R94.6Very high85Confident139 Ų13991.3 Ų91.353%0.52548%0.48SS..EExtended strand (participates in β ladder)trans-130150.2166.7-75.4-177.2170.2169.8-12.5109.5W216 V241 V242R196-W216 HydrophobicContact CB-CH2 4.15Å; R196-W216 HydrophobicContact CB-CZ3 3.85Å; R196-W216 HydrophobicContact CG-CH2 3.47Å; R196-W216 VanDerWaalsContact CG-CH2 3.47Å; R196-W216 HydrophobicContact CG-CZ2 4.4Å; R196-W216 HydrophobicContact CG-CZ3 3.69Å; R196-V241 WeakPolarHBondContact O-CA 3.48Å; R196-V242 HydrophobicContact CB-CG2 3.73Å; R196-V242 PolarHBondContact N-O 3.26Å; R196-V242 WeakPolarHBondContact O-CG2 3.32Å; R196-V242 PolarHBondContact O-N 3.4Å
197V94.7Very high85.7Confident90 Ų9092.5 Ų92.555%0.54548%0.478SS..EExtended strand (participates in β ladder)trans-114.1122.8171.6-175.30000106.9L239 C240 V241V197-L239 HydrophobicContact CG1-CB 3.82Å; V197-L239 HydrophobicContact CG1-CD1 4.35Å; V197-L239 HydrophobicContact CG1-CD2 4.04Å; V197-L239 HydrophobicContact CG1-CG 4.27Å; V197-C240 WeakPolarHBondContact CA-O 3.4Å; V197-V241 HydrophobicContact CG2-CG2 4.44Å
198L93.1Very high86.7Confident62 Ų6290 Ų9033%0.32546%0.457SS..EExtended strand (participates in β ladder)trans-111126.6178.8-55.4177.1000107.9M208 L239 C240 V242L198-M208 HydrophobicContact CB-SD 3.81Å; L198-M208 HydrophobicContact CD1-SD 4.17Å; L198-L239 WeakPolarHBondContact O-CA 3.07Å; L198-C240 HydrophobicContact CB-CB 4.38Å; L198-C240 PolarHBondContact N-O 2.95Å; L198-C240 PolarHBondContact O-N 3.3Å; L198-V242 HydrophobicContact CD1-CG1 4.4Å; L198-V242 HydrophobicContact CD1-CG2 4.25Å; L198-V242 HydrophobicContact CG-CG2 4.41Å
199Q91.6Very high87.7Confident125 Ų12587 Ų8758%0.58445%0.447SS*.EExtended strand (participates in β ladder)trans-92135.4173.9-173.2177.62.100108.8E237 F238 L239Q199-E237 PolarHBondContact NE2-OE2 2.89Å; Q199-F238 WeakPolarHBondContact CA-O 3.39Å; Q199-L239 HydrophobicContact CB-CD2 4Å; Q199-L239 HydrophobicContact CG-CD2 4.11Å
200C89.1Confident88.8Confident7 Ų789 Ų895%0.04745%0.454CS..EExtended strand (participates in β ladder)trans-149.5155.217760.10000110.8M208 F238C200-M208 HydrophobicContact CB-CE 4.36Å; C200-M208 HydrophobicContact CB-SD 3.77Å; C200-M208 VanDerWaalsContact SG-CE 3.52Å; C200-M208 VanDerWaalsContact SG-SD 3.7Å; C200-F238 PolarHBondContact N-O 3.06Å; C200-F238 PolarHBondContact O-N 2.69Å
201Q89.4Confident89.8Confident53 Ų5387.8 Ų87.825%0.24844%0.444CS..EExtended strand (participates in β ladder)trans-81.5159169.4-62.6-177.4-3.200110.4E203 E204 L205 Q235Q201-E203 HydrophobicContact CB-CG 4.17Å; Q201-E203 PolarHBondContact O-N 2.89Å; Q201-E204 PolarHBondContact O-N 3.23Å; Q201-L205 PolarHBondContact O-N 2.95Å; Q201-L205 VanDerWaalsContact O-N 3.13Å; Q201-Q235 VanDerWaalsContact CD-OE1 3.27Å
202E87.8Confident90.4Very high115 Ų11586 Ų8654%0.53743%0.431SS..Hα-helixtrans-50.6-43.4178.8-168.7172.6174.600113E204 L205 A236 F238E202-E204 VanDerWaalsContact C-N 3.29Å; E202-E204 PolarHBondContact O-N 3.44Å; E202-L205 WeakPolarHBondContact O-CB 3.37Å; E202-L205 PolarHBondContact O-N 3.1Å; E202-A236 HydrophobicContact CB-CB 4.3Å; E202-A236 PolarHBondContact N-O 2.96Å; E202-F238 HydrophobicContact CB-CD2 4.44Å; E202-F238 HydrophobicContact CB-CE2 3.8Å; E202-F238 HydrophobicContact CG-CE2 3.95Å
203E89.8Confident90.4Very high137 Ų13784.1 Ų84.164%0.6443%0.433SS*.Hα-helixtrans-67.3-26.5-178.358.4-162.7-121.700113.9Q201Q201-E203 HydrophobicContact CB-CG 4.17Å; Q201-E203 PolarHBondContact O-N 2.89Å
204E89.7Confident90.2Very high100 Ų10088.4 Ų88.447%0.46746%0.458SS..Hα-helixtrans-95.6-13.3-179.6-59.3-171.5149.900112.9Q201 E202 T206 Q207 M208Q201-E204 PolarHBondContact O-N 3.23Å; E202-E204 VanDerWaalsContact C-N 3.29Å; E202-E204 PolarHBondContact O-N 3.44Å; E204-T206 PolarHBondContact O-N 3.48Å; E204-Q207 PolarHBondContact O-N 3.42Å; E204-Q207 VanDerWaalsContact O-N 3.12Å; E204-M208 PolarHBondContact O-N 3.26Å
205L88.3Confident89.9Confident30 Ų3088 Ų8816%0.15746%0.464CS..Hα-helixtrans-54.9-49.6-172.3177.162.2000112.6Q201 E202 Q207 M208 V209 L221Q201-L205 PolarHBondContact O-N 2.95Å; Q201-L205 VanDerWaalsContact O-N 3.13Å; E202-L205 WeakPolarHBondContact O-CB 3.37Å; E202-L205 PolarHBondContact O-N 3.1Å; L205-Q207 VanDerWaalsContact C-N 3.31Å; L205-Q207 PolarHBondContact O-N 3.4Å; L205-M208 HydrophobicContact CD1-CE 3.79Å; L205-M208 PolarHBondContact O-N 3.28Å; L205-V209 HydrophobicContact CD1-CG2 4.18Å; L205-V209 WeakPolarHBondContact O-CG2 2.99Å; L205-V209 PolarHBondContact O-N 3.27Å; L205-L221 HydrophobicContact CD1-CD1 3.61Å; L205-L221 HydrophobicContact CD1-CD2 4.2Å; L205-L221 HydrophobicContact CD2-CD2 3.64Å
206T90.4Very high89.8Confident106 Ų10682.9 Ų82.965%0.6544%0.444SS*.Hα-helixtrans-62.2-41.2-179-60.10000111.2E204 S210E204-T206 PolarHBondContact O-N 3.48Å; T206-S210 VanDerWaalsContact O-CB 3.24Å; T206-S210 WeakPolarHBondContact O-CB 3.41Å; T206-S210 PolarHBondContact O-N 3.37Å; T206-S210 PolarHBondContact O-OG 2.92Å
207Q89.9Confident89.7Confident132 Ų13281.3 Ų81.362%0.61744%0.441SS*.Hα-helixtrans-67.5-43.9178.7-174.8177.114.300111.2E204 L205 S210 T211E204-Q207 PolarHBondContact O-N 3.42Å; E204-Q207 VanDerWaalsContact O-N 3.12Å; L205-Q207 VanDerWaalsContact C-N 3.31Å; L205-Q207 PolarHBondContact O-N 3.4Å; Q207-S210 PolarHBondContact O-N 3.25Å; Q207-T211 HydrophobicContact CG-CG2 4.34Å; Q207-T211 WeakPolarHBondContact O-CB 3.44Å; Q207-T211 WeakPolarHBondContact O-CG2 3.31Å; Q207-T211 PolarHBondContact O-N 2.84Å; Q207-T211 PolarHBondContact O-OG1 2.96Å
208M89.4Confident89.6Confident32 Ų3281.7 Ų81.716%0.15844%0.435CS..Hα-helixtrans-60.8-47.7178.4178.8-15965.100111.6L198 C200 E204 L205 S210 T211 M212 C240L198-M208 HydrophobicContact CB-SD 3.81Å; L198-M208 HydrophobicContact CD1-SD 4.17Å; C200-M208 HydrophobicContact CB-CE 4.36Å; C200-M208 HydrophobicContact CB-SD 3.77Å; C200-M208 VanDerWaalsContact SG-CE 3.52Å; C200-M208 VanDerWaalsContact SG-SD 3.7Å; E204-M208 PolarHBondContact O-N 3.26Å; L205-M208 HydrophobicContact CD1-CE 3.79Å; L205-M208 PolarHBondContact O-N 3.28Å; M208-S210 PolarHBondContact O-N 3.34Å; M208-T211 PolarHBondContact O-N 2.63Å; M208-M212 PolarHBondContact O-N 2.84Å; M208-M212 VanDerWaalsContact O-N 3.15Å; M208-C240 HydrophobicContact CE-CB 3.41Å; M208-C240 VanDerWaalsContact CE-CB 3.41Å; M208-C240 HydrophobicContact SD-CB 4.25Å
209V87.8Confident89.6Confident60 Ų6083.1 Ų83.136%0.36444%0.441SS..Hα-helixtrans-65.5-40.3178.6176.50000111L205 T211 M212L205-V209 HydrophobicContact CD1-CG2 4.18Å; L205-V209 WeakPolarHBondContact O-CG2 2.99Å; L205-V209 PolarHBondContact O-N 3.27Å; V209-T211 VanDerWaalsContact C-N 3.35Å; V209-T211 PolarHBondContact O-N 3Å; V209-M212 WeakPolarHBondContact O-CB 3.34Å; V209-M212 PolarHBondContact O-N 3.38Å
210S88.6Confident89.8Confident93 Ų9382.4 Ų82.465%0.6544%0.437SS*.Hα-helixtrans-71.9-26.9-178.4-57.10000113.7T206 Q207 M208T206-S210 VanDerWaalsContact O-CB 3.24Å; T206-S210 WeakPolarHBondContact O-CB 3.41Å; T206-S210 PolarHBondContact O-N 3.37Å; T206-S210 PolarHBondContact O-OG 2.92Å; Q207-S210 PolarHBondContact O-N 3.25Å; M208-S210 PolarHBondContact O-N 3.34Å
211T90.6Very high90Very high99 Ų9985.1 Ų85.161%0.60745%0.451SS*.THydrogen-bonded Turntrans-100.77.4179.659.80000113.1Q207 M208 V209 S213Q207-T211 HydrophobicContact CG-CG2 4.34Å; Q207-T211 WeakPolarHBondContact O-CB 3.44Å; Q207-T211 WeakPolarHBondContact O-CG2 3.31Å; Q207-T211 PolarHBondContact O-N 2.84Å; Q207-T211 PolarHBondContact O-OG1 2.96Å; M208-T211 PolarHBondContact O-N 2.63Å; V209-T211 VanDerWaalsContact C-N 3.35Å; V209-T211 PolarHBondContact O-N 3Å; T211-S213 PolarHBondContact O-N 2.79Å
212M90.1Very high90.3Very high43 Ų4385.8 Ų85.821%0.21246%0.455CS..PPolyproline II helixtrans-55.8130.4176.6-167-177.9-57.700110.2M208 V209 W216 F218 V242M208-M212 PolarHBondContact O-N 2.84Å; M208-M212 VanDerWaalsContact O-N 3.15Å; V209-M212 WeakPolarHBondContact O-CB 3.34Å; V209-M212 PolarHBondContact O-N 3.38Å; M212-W216 HydrophobicContact CG-CB 3.68Å; M212-W216 HydrophobicContact CG-CG 4.48Å; M212-W216 HydrophobicContact SD-CB 3.45Å; M212-W216 WeakPolarHBondContact SD-CB 3.31Å; M212-F218 HydrophobicContact CE-CB 4.44Å; M212-V242 HydrophobicContact CE-CB 4.43Å; M212-V242 HydrophobicContact CE-CG1 3.36Å; M212-V242 HydrophobicContact SD-CB 4.28Å; M212-V242 HydrophobicContact SD-CG1 3.81Å
213S85Confident90.3Very high81 Ų8183.7 Ų83.757%0.56645%0.454SS*.PPolyproline II helixtrans-57.9148.3-179.2-19.80000111.8T211 W216T211-S213 PolarHBondContact O-N 2.79Å; S213-W216 PolarHBondContact O-N 2.98Å
214D85.3Confident90.1Very high165 Ų16580.6 Ų80.688%0.88244%0.441SS*.THydrogen-bonded Turntrans-53.6141.7177.7-168.618.3000112.3W216D214-W216 VanDerWaalsContact C-N 3.32Å; D214-W216 PolarHBondContact O-N 2.7Å
215G87.8Confident89.1Confident42 Ų4278.4 Ų78.443%0.43345%0.445SS..THydrogen-bonded Turntrans80.3-6.7-177.300000116.4R244G215-R244 VanDerWaalsContact O-CG 3.24Å; G215-R244 WeakPolarHBondContact O-CG 3.3Å
216W92.7Very high88Confident30 Ų3080 Ų8011%0.11446%0.458CS..  trans-86.2133.8169-69.486.9000110.5V194 R196 M212 S213 D214 V242 S243 R244V194-W216 HydrophobicContact CG1-CH2 4.17Å; R196-W216 HydrophobicContact CB-CH2 4.15Å; R196-W216 HydrophobicContact CB-CZ3 3.85Å; R196-W216 HydrophobicContact CG-CH2 3.47Å; R196-W216 VanDerWaalsContact CG-CH2 3.47Å; R196-W216 HydrophobicContact CG-CZ2 4.4Å; R196-W216 HydrophobicContact CG-CZ3 3.69Å; M212-W216 HydrophobicContact CG-CB 3.68Å; M212-W216 HydrophobicContact CG-CG 4.48Å; M212-W216 HydrophobicContact SD-CB 3.45Å; M212-W216 WeakPolarHBondContact SD-CB 3.31Å; S213-W216 PolarHBondContact O-N 2.98Å; D214-W216 VanDerWaalsContact C-N 3.32Å; D214-W216 PolarHBondContact O-N 2.7Å; W216-V242 HydrophobicContact CD2-CG2 4.34Å; W216-V242 HydrophobicContact CE3-CB 4.02Å; W216-V242 HydrophobicContact CE3-CG2 3.47Å; W216-V242 VanDerWaalsContact CE3-CG2 3.47Å; W216-V242 HydrophobicContact CZ3-CG2 3.88Å; W216-S243 CarbonylContact C-O 3.54Å; W216-S243 WeakPolarHBondContact CA-O 3.4Å; W216-R244 HydrophobicContact CD2-CB 3.97Å; W216-R244 HydrophobicContact CE3-CB 3.88Å; W216-R244 HydrophobicContact CG-CB 4.48Å; W216-R244 HydrophobicContact CH2-CB 4.35Å; W216-R244 HydrophobicContact CZ2-CB 4.47Å; W216-R244 HydrophobicContact CZ3-CB 4.08Å
217K92.4Very high86.3Confident105 Ų10580.2 Ų80.246%0.45746%0.464SS..EExtended strand (participates in β ladder)trans-107.7135.8176.8-66.3-177.1178.6174.10109V242 S243 E245K217-V242 CarbonylContact O-C 3.53Å; K217-V242 WeakPolarHBondContact O-CA 3.49Å; K217-V242 WeakPolarHBondContact O-CB 3.32Å; K217-S243 PolarHBondContact N-O 2.98Å; K217-S243 PolarHBondContact O-N 2.77Å; K217-E245 IonicContact NZ-OE1 2.7Å; K217-E245 PolarHBondContact NZ-OE1 3.33Å
218F93.1Very high84.7Confident98 Ų9884.8 Ų84.843%0.4348%0.478SS..EExtended strand (participates in β ladder)trans-72.6128.7168.8174-91.1000109.7M212 Q220 L221 C240M212-F218 HydrophobicContact CE-CB 4.44Å; F218-Q220 VanDerWaalsContact CZ-C 3.4Å; F218-L221 HydrophobicContact CE2-CB 3.94Å; F218-L221 HydrophobicContact CZ-CB 3.63Å; F218-C240 WeakPolarHBondContact CD2-SG 3.09Å; F218-C240 VanDerWaalsContact CE2-SG 3.58Å
219E94.1Very high83Confident93 Ų9389.1 Ų89.144%0.43550%0.502SS..EExtended strand (participates in β ladder)trans-108.5-48.7-180-67.7-69.5158.200111.6Y195 V241 S243Y195-E219 HydrophobicContact CD1-CG 4.47Å; Y195-E219 HydrophobicContact CE1-CG 4.16Å; E219-V241 HydrophobicContact CB-CB 4.32Å; E219-V241 HydrophobicContact CB-CG1 4.15Å; E219-V241 WeakPolarHBondContact CB-O 3.21Å; E219-V241 PolarHBondContact N-O 3.5Å; E219-S243 VanDerWaalsContact OE1-CB 3.24Å; E219-S243 WeakPolarHBondContact OE1-CB 3.14Å; E219-S243 PolarHBondContact OE1-OG 2.91Å
220Q94.9Very high81.4Confident110 Ų11098.3 Ų98.351%0.51453%0.531SS..EExtended strand (participates in β ladder)trans-156.5144.7-171.8-170.7177.1-23.700111.4F218 I222 C240 V241F218-Q220 VanDerWaalsContact CZ-C 3.4Å; Q220-I222 HydrophobicContact CG-CG1 4.08Å; Q220-C240 CarbonylContact O-C 3.41Å; Q220-V241 HydrophobicContact CB-CB 4.02Å; Q220-V241 HydrophobicContact CB-CG2 4.13Å; Q220-V241 PolarHBondContact N-O 2.84Å; Q220-V241 PolarHBondContact O-N 2.77Å
221L93.9Very high79.8Confident64 Ų6496.5 Ų96.534%0.33553%0.527SS..EExtended strand (participates in β ladder)trans-116.2129.8168.3-170.971.9000108.8L205 F218 F238 L239 C240L205-L221 HydrophobicContact CD1-CD1 3.61Å; L205-L221 HydrophobicContact CD1-CD2 4.2Å; L205-L221 HydrophobicContact CD2-CD2 3.64Å; F218-L221 HydrophobicContact CE2-CB 3.94Å; F218-L221 HydrophobicContact CZ-CB 3.63Å; L221-F238 HydrophobicContact CD1-CB 3.67Å; L221-F238 HydrophobicContact CD1-CD1 4.15Å; L221-F238 HydrophobicContact CD1-CG 4.18Å; L221-F238 HydrophobicContact CD2-CD1 3.77Å; L221-F238 HydrophobicContact CD2-CE1 4.14Å; L221-F238 HydrophobicContact CD2-CG 4.36Å; L221-F238 HydrophobicContact CG-CB 4.22Å; L221-F238 HydrophobicContact CG-CD1 3.74Å; L221-F238 HydrophobicContact CG-CG 4.28Å; L221-L239 CarbonylContact C-O 3.6Å; L221-L239 WeakPolarHBondContact CA-O 3.4Å; L221-C240 HydrophobicContact CD1-CB 4.02Å
222I94.3Very high77.9Confident66 Ų6699 Ų9934%0.33854%0.537SS..EExtended strand (participates in β ladder)trans-119.9120.1-179.5-56.2166.9000107.3Q220 F238 L239 V241Q220-I222 HydrophobicContact CG-CG1 4.08Å; I222-F238 CarbonylContact O-C 3.58Å; I222-F238 VanDerWaalsContact O-CA 3.28Å; I222-F238 WeakPolarHBondContact O-CA 3.37Å; I222-L239 HydrophobicContact CB-CB 4.26Å; I222-L239 PolarHBondContact N-O 2.72Å; I222-L239 PolarHBondContact O-N 2.83Å; I222-V241 HydrophobicContact CD1-CG2 4.28Å
223S88.8Confident76.5Confident72 Ų72104.8 Ų104.850%0.50356%0.564SS.*EExtended strand (participates in β ladder)trans-76.1124.7170.9-1800000109.5
224I85.3Confident75.4Confident71 Ų71106.5 Ų106.536%0.36457%0.566SS.*EExtended strand (participates in β ladder)trans-99.693.1166.4-25.5173.5000104E237 L239I224-E237 PolarHBondContact N-O 3.17Å; I224-L239 HydrophobicContact CD1-CD1 3.89Å; I224-L239 HydrophobicContact CD1-CD2 3.58Å; I224-L239 HydrophobicContact CD1-CG 3.4Å; I224-L239 VanDerWaalsContact CD1-CG 3.4Å; I224-L239 HydrophobicContact CG1-CD1 4.27Å; I224-L239 HydrophobicContact CG1-CD2 4.48Å; I224-L239 HydrophobicContact CG1-CG 3.81Å
225G69.5Low74.5Confident54 Ų54102.5 Ų102.556%0.55754%0.542SS*.  trans-54.2157.9-176.300000112.5S227G225-S227 PolarHBondContact O-N 3.28Å; G225-S227 VanDerWaalsContact O-N 3.15Å
226S63.7Low74.1Confident63 Ų63101.5 Ų101.544%0.44153%0.53SS..  trans-61.3117.7177.749.10000109.9Y228 D234S226-Y228 VanDerWaalsContact C-N 3.32Å; S226-Y228 PolarHBondContact O-N 3.08Å; S226-D234 WeakPolarHBondContact CB-OD1 3.47Å; S226-D234 PolarHBondContact OG-OD1 3.4Å
227S55.7Low73.9Confident111 Ų111103.5 Ų103.578%0.77654%0.541SS*.  trans-72.789.1176.643.40000109.3G225G225-S227 PolarHBondContact O-N 3.28Å; G225-S227 VanDerWaalsContact O-N 3.15Å
228Y55.8Low73.8Confident228 Ų228100 Ų10089%0.89453%0.525SS*.SBendtrans45.883166.6-56.9-80.8000115.3S226S226-Y228 VanDerWaalsContact C-N 3.32Å; S226-Y228 PolarHBondContact O-N 3.08Å
229N54.6Low73.8Confident124 Ų12497.6 Ų97.666%0.66352%0.517SS*.  trans-129.8113.4170-144.131.5000112.4G231N229-G231 PolarHBondContact O-N 3.46Å
230Y52.6Low73.7Confident252 Ų25293.2 Ų93.299%0.98850%0.497SS*.  trans-87.391.2177.1-136.8-94.3000107.8
231G54.8Low73.8Confident55 Ų5589.1 Ų89.157%0.56748%0.479SS*.SBendtrans115115.5168.900000115.5N229N229-G231 PolarHBondContact O-N 3.46Å
232N52.3Low73.8Confident152 Ų15286.1 Ų86.181%0.81346%0.464SS*.SBendtrans76.3120.5175.2-80.2-71.4000117.9
233E59.5Low73.9Confident164 Ų16483 Ų8377%0.76645%0.447SS*.  trans43.884.5170.7-72.8174.1129.900115.9Q235E233-Q235 VanDerWaalsContact C-N 3.33Å; E233-Q235 PolarHBondContact O-N 2.78Å
234D63.2Low74Confident117 Ų11784.1 Ų84.163%0.62644%0.441SS*.  trans-57.794.3160.6-86.1-49.2000109.4S226 A236S226-D234 WeakPolarHBondContact CB-OD1 3.47Å; S226-D234 PolarHBondContact OG-OD1 3.4Å; D234-A236 PolarHBondContact O-N 2.84Å
235Q66.2Low74.3Confident81 Ų8184.4 Ų84.438%0.37944%0.44SS..  trans-86.2102.8166.2-68.2-177.1-5.800107.6Q201 E233 E237Q201-Q235 VanDerWaalsContact CD-OE1 3.27Å; E233-Q235 VanDerWaalsContact C-N 3.33Å; E233-Q235 PolarHBondContact O-N 2.78Å; Q235-E237 PolarHBondContact O-N 2.81Å
236A78.1Confident74.8Confident21 Ų2185.4 Ų85.417%0.17443%0.433CS..  trans-67.2126.9173.800000109.6E202 D234 F238E202-A236 HydrophobicContact CB-CB 4.3Å; E202-A236 PolarHBondContact N-O 2.96Å; D234-A236 PolarHBondContact O-N 2.84Å; A236-F238 HydrophobicContact CB-CE2 3.88Å; A236-F238 HydrophobicContact CB-CZ 4.24Å
237E88.5Confident75.3Confident73 Ų7388.3 Ų88.334%0.34144%0.443SS..EExtended strand (participates in β ladder)trans-97.8146.4175.6-70.7-169.6-176.100111.2Q199 I224 Q235Q199-E237 PolarHBondContact NE2-OE2 2.89Å; I224-E237 PolarHBondContact N-O 3.17Å; Q235-E237 PolarHBondContact O-N 2.81Å
238F90.3Very high75.3Confident30 Ų3086.8 Ų86.813%0.13243%0.427CS..EExtended strand (participates in β ladder)trans-131.6143.6180-63.6-90.1000112.2Q199 C200 E202 L221 I222 A236Q199-F238 WeakPolarHBondContact CA-O 3.39Å; C200-F238 PolarHBondContact N-O 3.06Å; C200-F238 PolarHBondContact O-N 2.69Å; E202-F238 HydrophobicContact CB-CD2 4.44Å; E202-F238 HydrophobicContact CB-CE2 3.8Å; E202-F238 HydrophobicContact CG-CE2 3.95Å; L221-F238 HydrophobicContact CD1-CB 3.67Å; L221-F238 HydrophobicContact CD1-CD1 4.15Å; L221-F238 HydrophobicContact CD1-CG 4.18Å; L221-F238 HydrophobicContact CD2-CD1 3.77Å; L221-F238 HydrophobicContact CD2-CE1 4.14Å; L221-F238 HydrophobicContact CD2-CG 4.36Å; L221-F238 HydrophobicContact CG-CB 4.22Å; L221-F238 HydrophobicContact CG-CD1 3.74Å; L221-F238 HydrophobicContact CG-CG 4.28Å; I222-F238 CarbonylContact O-C 3.58Å; I222-F238 VanDerWaalsContact O-CA 3.28Å; I222-F238 WeakPolarHBondContact O-CA 3.37Å; A236-F238 HydrophobicContact CB-CE2 3.88Å; A236-F238 HydrophobicContact CB-CZ 4.24Å
239L93.8Very high75Confident49 Ų4980.1 Ų80.126%0.25741%0.413SS..EExtended strand (participates in β ladder)trans-100.9118.4163.1-57.3177.5000109.4V197 L198 Q199 L221 I222 I224V197-L239 HydrophobicContact CG1-CB 3.82Å; V197-L239 HydrophobicContact CG1-CD1 4.35Å; V197-L239 HydrophobicContact CG1-CD2 4.04Å; V197-L239 HydrophobicContact CG1-CG 4.27Å; L198-L239 WeakPolarHBondContact O-CA 3.07Å; Q199-L239 HydrophobicContact CB-CD2 4Å; Q199-L239 HydrophobicContact CG-CD2 4.11Å; L221-L239 CarbonylContact C-O 3.6Å; L221-L239 WeakPolarHBondContact CA-O 3.4Å; I222-L239 HydrophobicContact CB-CB 4.26Å; I222-L239 PolarHBondContact N-O 2.72Å; I222-L239 PolarHBondContact O-N 2.83Å; I224-L239 HydrophobicContact CD1-CD1 3.89Å; I224-L239 HydrophobicContact CD1-CD2 3.58Å; I224-L239 HydrophobicContact CD1-CG 3.4Å; I224-L239 VanDerWaalsContact CD1-CG 3.4Å; I224-L239 HydrophobicContact CG1-CD1 4.27Å; I224-L239 HydrophobicContact CG1-CD2 4.48Å; I224-L239 HydrophobicContact CG1-CG 3.81Å
240C92.8Very high74.6Confident0 Ų079.8 Ų79.80%042%0.416CS..EExtended strand (participates in β ladder)trans-99110.1174.1178.70000109.6V197 L198 M208 F218 Q220 L221V197-C240 WeakPolarHBondContact CA-O 3.4Å; L198-C240 HydrophobicContact CB-CB 4.38Å; L198-C240 PolarHBondContact N-O 2.95Å; L198-C240 PolarHBondContact O-N 3.3Å; M208-C240 HydrophobicContact CE-CB 3.41Å; M208-C240 VanDerWaalsContact CE-CB 3.41Å; M208-C240 HydrophobicContact SD-CB 4.25Å; F218-C240 WeakPolarHBondContact CD2-SG 3.09Å; F218-C240 VanDerWaalsContact CE2-SG 3.58Å; Q220-C240 CarbonylContact O-C 3.41Å; L221-C240 HydrophobicContact CD1-CB 4.02Å
241V95.8Very high74.1Confident24 Ų2475.2 Ų75.215%0.14541%0.408CS..EExtended strand (participates in β ladder)trans-82.3126.1171.7-171.90000108.4Y195 R196 V197 E219 Q220 I222Y195-V241 HydrophobicContact CD1-CG1 4.28Å; R196-V241 WeakPolarHBondContact O-CA 3.48Å; V197-V241 HydrophobicContact CG2-CG2 4.44Å; E219-V241 HydrophobicContact CB-CB 4.32Å; E219-V241 HydrophobicContact CB-CG1 4.15Å; E219-V241 WeakPolarHBondContact CB-O 3.21Å; E219-V241 PolarHBondContact N-O 3.5Å; Q220-V241 HydrophobicContact CB-CB 4.02Å; Q220-V241 HydrophobicContact CB-CG2 4.13Å; Q220-V241 PolarHBondContact N-O 2.84Å; Q220-V241 PolarHBondContact O-N 2.77Å; I222-V241 HydrophobicContact CD1-CG2 4.28Å
242V95.3Very high73.3Confident2 Ų276.5 Ų76.51%0.01242%0.422CS..EExtended strand (participates in β ladder)trans-127.4143.7177.9-59.20000109.8Y195 R196 L198 M212 W216 K217Y195-V242 CarbonylContact C-O 3.58Å; Y195-V242 VanDerWaalsContact CA-O 3.28Å; Y195-V242 WeakPolarHBondContact CA-O 3.21Å; R196-V242 HydrophobicContact CB-CG2 3.73Å; R196-V242 PolarHBondContact N-O 3.26Å; R196-V242 WeakPolarHBondContact O-CG2 3.32Å; R196-V242 PolarHBondContact O-N 3.4Å; L198-V242 HydrophobicContact CD1-CG1 4.4Å; L198-V242 HydrophobicContact CD1-CG2 4.25Å; L198-V242 HydrophobicContact CG-CG2 4.41Å; M212-V242 HydrophobicContact CE-CB 4.43Å; M212-V242 HydrophobicContact CE-CG1 3.36Å; M212-V242 HydrophobicContact SD-CB 4.28Å; M212-V242 HydrophobicContact SD-CG1 3.81Å; W216-V242 HydrophobicContact CD2-CG2 4.34Å; W216-V242 HydrophobicContact CE3-CB 4.02Å; W216-V242 HydrophobicContact CE3-CG2 3.47Å; W216-V242 VanDerWaalsContact CE3-CG2 3.47Å; W216-V242 HydrophobicContact CZ3-CG2 3.88Å; K217-V242 CarbonylContact O-C 3.53Å; K217-V242 WeakPolarHBondContact O-CA 3.49Å; K217-V242 WeakPolarHBondContact O-CB 3.32Å
243S94.6Very high72.6Confident0 Ų076.2 Ų76.20%042%0.419CS..EExtended strand (participates in β ladder)trans-115.9159175.379.30000111.3V194 W216 K217 E219V194-S243 CarbonylContact O-C 3.52Å; V194-S243 VanDerWaalsContact O-CA 3.24Å; V194-S243 WeakPolarHBondContact O-CA 3.48Å; W216-S243 CarbonylContact C-O 3.54Å; W216-S243 WeakPolarHBondContact CA-O 3.4Å; K217-S243 PolarHBondContact N-O 2.98Å; K217-S243 PolarHBondContact O-N 2.77Å; E219-S243 VanDerWaalsContact OE1-CB 3.24Å; E219-S243 WeakPolarHBondContact OE1-CB 3.14Å; E219-S243 PolarHBondContact OE1-OG 2.91Å
244R92.7Very high71.6Confident96 Ų9674.7 Ų74.736%0.36242%0.42SS..EExtended strand (participates in β ladder)trans-142.2131166.3178.3166.872.7169.37.7109.5H193 V194 G215 W216H193-R244 WeakPolarHBondContact CA-O 3.48Å; V194-R244 PolarHBondContact N-O 2.68Å; V194-R244 PolarHBondContact O-N 2.86Å; G215-R244 VanDerWaalsContact O-CG 3.24Å; G215-R244 WeakPolarHBondContact O-CG 3.3Å; W216-R244 HydrophobicContact CD2-CB 3.97Å; W216-R244 HydrophobicContact CE3-CB 3.88Å; W216-R244 HydrophobicContact CG-CB 4.48Å; W216-R244 HydrophobicContact CH2-CB 4.35Å; W216-R244 HydrophobicContact CZ2-CB 4.47Å; W216-R244 HydrophobicContact CZ3-CB 4.08Å
245E90.9Very high70.8Confident76 Ų7676.5 Ų76.536%0.35543%0.428SS..EExtended strand (participates in β ladder)trans-67.8129.9173.2-73.6171.3-141.100110V191 H193 K217V191-E245 HydrophobicContact CG1-CB 3.91Å; V191-E245 HydrophobicContact CG1-CG 3.95Å; H193-E245 VanDerWaalsContact NE2-CG 3.3Å; H193-E245 WeakPolarHBondContact NE2-CG 3.42Å; K217-E245 IonicContact NZ-OE1 2.7Å; K217-E245 PolarHBondContact NZ-OE1 3.33Å
246L80.9Confident69.5Low76 Ų7679.6 Ų79.640%0.39844%0.443SS..EExtended strand (participates in β ladder)trans-96.1104.1168.5-82.8167.2000107.9K192 V194 N248K192-L246 HydrophobicContact CB-CB 4.01Å; K192-L246 HydrophobicContact CB-CD1 4.26Å; K192-L246 WeakPolarHBondContact O-CB 3.07Å; K192-L246 PolarHBondContact O-N 3.27Å; V194-L246 HydrophobicContact CG2-CD1 3.25Å; V194-L246 HydrophobicContact CG2-CD2 4.47Å; V194-L246 HydrophobicContact CG2-CG 3.7Å; L246-N248 PolarHBondContact O-N 2.86Å; L246-N248 VanDerWaalsContact O-N 3.09Å
247N72.5Confident67.8Low123 Ų12383.6 Ų83.666%0.65847%0.467SS*.  trans-64.6112.8168.6-42.815.9000105.7S249N247-S249 PolarHBondContact O-N 3.46Å
248N57.4Low66Low80 Ų8085.1 Ų85.143%0.42848%0.481SS..  trans-76.953.3178-151.287.2000109.4K192 L246 T250K192-N248 PolarHBondContact NZ-OD1 3.5Å; K192-N248 VanDerWaalsContact NZ-OD1 3.13Å; L246-N248 PolarHBondContact O-N 2.86Å; L246-N248 VanDerWaalsContact O-N 3.09Å; N248-T250 VanDerWaalsContact C-N 3.26Å; N248-T250 PolarHBondContact O-N 3.24Å
249S49.4Very low63.8Low88 Ų8891 Ų9162%0.61551%0.509SS*.  trans-89.366170.8-53.70000107.9N247 N251N247-S249 PolarHBondContact O-N 3.46Å; S249-N251 PolarHBondContact O-N 3.09Å
250T45.9Very low61.5Low117 Ų11796.7 Ų96.772%0.71853%0.532SS*.  trans-69.982162.537.50000108.3N248N248-T250 VanDerWaalsContact C-N 3.26Å; N248-T250 PolarHBondContact O-N 3.24Å
251N40.7Very low59.3Low155 Ų15599.7 Ų99.783%0.82956%0.557SS**SBendtrans-149.777.3151.2-83.9-38.3000107.3S249 I253S249-N251 PolarHBondContact O-N 3.09Å; N251-I253 PolarHBondContact O-N 3.24Å
252G38.4Very low56.9Low82 Ų82106.4 Ų106.485%0.84558%0.584SS**SBendtrans70.538.2140.900000120.3
253I37.9Very low54.7Low147 Ų147111.5 Ų111.575%0.75461%0.61SS**  trans-119.9107.2159.4-57.3177.8000108.3N251 I255N251-I253 PolarHBondContact O-N 3.24Å; I253-I255 VanDerWaalsContact C-N 3.33Å; I253-I255 PolarHBondContact O-N 2.98Å
254V37.8Very low52.6Low132 Ų132118.2 Ų118.280%0.865%0.645SS**  trans-55.8101.5161.61760000105.9E256V254-E256 PolarHBondContact O-N 2.99Å
255I48Very low50.7Low155 Ų155121.2 Ų121.280%0.79566%0.663SS**  trans-71.391.9165.8-58.1174000104.4I253I253-I255 VanDerWaalsContact C-N 3.33Å; I253-I255 PolarHBondContact O-N 2.98Å
256E39Very low48.5Very low145 Ų145124.8 Ų124.868%0.67868%0.68SS**  trans-54128.9170.8-156.9-177.915300107.5V254 T258V254-E256 PolarHBondContact O-N 2.99Å; E256-T258 PolarHBondContact O-N 3.39Å
257P41.4Very low47Very low106 Ų106131.3 Ų131.369%0.68870%0.7SS**  trans-60115.9176-10.820.7000108E259P257-E259 PolarHBondContact O-N 3.43Å
258T50.2Low45.6Very low104 Ų104128.7 Ų128.764%0.63870%0.701SS**  trans-43124.5175.7-53.80000109.8E256 K260 A261E256-T258 PolarHBondContact O-N 3.39Å; T258-K260 HydrophobicContact CG2-CB 4.35Å; T258-K260 HydrophobicContact CG2-CG 4.38Å; T258-K260 PolarHBondContact O-N 3.28Å; T258-A261 PolarHBondContact O-N 3.42Å
259E43.9Very low45Very low155 Ų155129.9 Ų129.972%0.72472%0.716SS**THydrogen-bonded Turntrans-47.6-21.4-175.2-81.2172.3127.200114.7P257 A261 K262P257-E259 PolarHBondContact O-N 3.43Å; E259-A261 VanDerWaalsContact C-N 3.28Å; E259-A261 PolarHBondContact O-N 3.47Å; E259-K262 PolarHBondContact O-N 3.19Å
260K45.4Very low44.9Very low167 Ų167136.4 Ų136.473%0.72673%0.727SS**Hα-helixtrans-62.7-27.9173.7-65.9-170.2179.6-177.60114.1T258T258-K260 HydrophobicContact CG2-CB 4.35Å; T258-K260 HydrophobicContact CG2-CG 4.38Å; T258-K260 PolarHBondContact O-N 3.28Å
261A48Very low44.6Very low64 Ų64143.1 Ų143.153%0.52975%0.753SS.*Hα-helixtrans-74.4-26.5177.800000112.9T258 E259T258-A261 PolarHBondContact O-N 3.42Å; E259-A261 VanDerWaalsContact C-N 3.28Å; E259-A261 PolarHBondContact O-N 3.47Å
262K45.7Very low44.8Very low165 Ų165142.5 Ų142.572%0.71775%0.75SS**Hα-helixtrans-69.6-34.2176.1-94.1-176.6173.5178.90112.6E259 L264 Q265 E266E259-K262 PolarHBondContact O-N 3.19Å; K262-L264 VanDerWaalsContact C-N 3.32Å; K262-L264 PolarHBondContact O-N 3.43Å; K262-Q265 PolarHBondContact O-N 3.33Å; K262-E266 PolarHBondContact O-N 3.33Å
263I48.7Very low45.1Very low108 Ų108145.7 Ų145.755%0.55474%0.744SS**Hα-helixtrans-70.4-28.4-174.7-61.3172.5000112.2
264L49.3Very low45.5Very low142 Ų142145.6 Ų145.674%0.74374%0.744SS**Hα-helixtrans-80.3-29.1177.2-89.8150.2000113.2K262K262-L264 VanDerWaalsContact C-N 3.32Å; K262-L264 PolarHBondContact O-N 3.43Å
265Q52.7Low45.9Very low158 Ų158146.4 Ų146.474%0.73874%0.741SS**Hα-helixtrans-75-30.4178.2-162.2170.1900112.2K262 R267K262-Q265 PolarHBondContact O-N 3.33Å; Q265-R267 VanDerWaalsContact C-N 3.34Å
266E45Very low45.8Very low151 Ų151145.9 Ų145.971%0.70674%0.737SS**Hα-helixtrans-77-20.6-179.8-150.4169.6-164.100113.1K262K262-E266 PolarHBondContact O-N 3.33Å
267R48.9Very low46.3Very low214 Ų214145.9 Ų145.981%0.80874%0.741SS**Hα-helixtrans-86.2-18.7174.4-95.7-180158.5150.9-4.9114.6Q265Q265-R267 VanDerWaalsContact C-N 3.34Å
268G44Very low46.6Very low67 Ų67148.8 Ų148.869%0.69175%0.745SS**THydrogen-bonded Turntrans-88.6-2.8177.200000115.1
269S44.1Very low46.3Very low106 Ų106152.2 Ų152.274%0.74175%0.753SS**THydrogen-bonded Turntrans-109.712-178-131.80000113.5
270R48.2Very low46.5Very low225 Ų225152 Ų15285%0.84976%0.756SS**  trans-127.928-179.6-81.3-169.2176.1172.82.4114.5
271M38.5Very low46.6Very low257 Ų257150.6 Ų150.6100%1.26676%0.758SS**  trans-124.30161.3-78.2-178.4-177.200109.6

Retrieved 271 of 271 residues in 535.7 ms (Link to these results)