A0A096M7R3_POEFO Loading...

CBM21 domain-containing protein

AlphaFold DB , UniProt , Accession A0A096M7R3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 259 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.2Very low36.6Very low250 Ų250173.7 Ų173.7100%1.23290%0.899SS**  0980-124.7156.5-17500106.6
2E39.8Very low36.5Very low181 Ų181167 Ų16785%0.84689%0.888SS**  trans-71.7144.8171.2-64173.794.500109.4
3F36.2Very low36.5Very low218 Ų218161.5 Ų161.596%0.95687%0.87SS**  trans-152.7121.1134.7-95.1-73.4000108.9
4A33.6Very low36.4Very low103 Ų103161.2 Ų161.285%0.85187%0.868SS**  trans-75.7159.6172.600000111.7
5G32.7Very low36.5Very low78 Ų78164.8 Ų164.880%0.80487%0.866SS**  trans15974.2158.600000119.3
6R36.5Very low36.7Very low250 Ų250165.5 Ų165.594%0.94387%0.87SS**  trans55114142.8-110.7176.5-178.7-127.11.1121
7L35.2Very low36.8Very low171 Ų171161.4 Ų161.490%0.89587%0.865SS**PPolyproline II helixtrans-71.4135156.5-71158000110.6
8R38.2Very low37Very low242 Ų242161.3 Ų161.391%0.91386%0.862SS**PPolyproline II helixtrans-97.4129.6168.1-75.1-156.7173.5-161.4-0.6110.1
9P37.6Very low36.9Very low112 Ų112159.4 Ų159.473%0.72786%0.86SS**PPolyproline II helixtrans-78.8138.7164.4214.7000110.4E11P9-E11 PolarHBondContact O-N 3.45Å
10S37.4Very low36.6Very low127 Ų127154.9 Ų154.989%0.88885%0.853SS**  trans-86.794.4167.9165.80000108.4
11E36.4Very low36.7Very low179 Ų179156.1 Ų156.184%0.83686%0.857SS**  trans-92.1118.6167.4-74.7-179.5155.500109.5P9P9-E11 PolarHBondContact O-N 3.45Å
12A34.7Very low36.5Very low93 Ų93148.9 Ų148.977%0.76984%0.837SS**  trans-78.5131161.700000108.5
13C37Very low36.3Very low96 Ų96143.5 Ų143.565%0.64983%0.83SS**  trans-149.2104.6162.9-970000110.6Y15C13-Y15 WeakPolarHBondContact O-CD2 3.42Å
14N35.9Very low36.2Very low157 Ų157141.7 Ų141.784%0.8483%0.83SS**  trans31.6102.6134.3-57.1-32.2000118.1
15Y37.4Very low36.3Very low215 Ų215144.4 Ų144.484%0.84383%0.83SS**  trans-126.582.8159.4-74-83.9000110.4C13C13-Y15 WeakPolarHBondContact O-CD2 3.42Å
16L40.2Very low37Very low176 Ų176145.6 Ų145.692%0.92182%0.824SS**  trans-132.784.8148.8-74.7179.7000106.8
17A37.1Very low36.9Very low96 Ų96141.1 Ų141.179%0.79382%0.818SS**PPolyproline II helixtrans-80.9127.6171.300000109.3
18I41Very low37.2Very low159 Ų159141.8 Ų141.882%0.81582%0.817SS**PPolyproline II helixtrans-92.7130.7169.7-60.8-84.8000107.4
19P34.3Very low37.2Very low125 Ų125137.4 Ų137.481%0.81281%0.811SS**PPolyproline II helixtrans-80.1123.8176.1-8.224.9000112.3
20G31.3Very low37.5Very low70 Ų70140.7 Ų140.772%0.72282%0.817SS**  trans76.9114.5135.700000118.3
21L39.2Very low37.5Very low181 Ų181137.9 Ų137.995%0.94881%0.808SS**  -158.4131.9114.8-98.3168.6000109
22A34.5Very low38.1Very low98 Ų98136.2 Ų136.281%0.8181%0.805SS**  trans-66.1150.7-178.700000111.5
23G37Very low38.5Very low68 Ų68139.5 Ų139.570%0.70181%0.809SS**  trans-74.1159.2-178.600000114.2
24L34.3Very low38.9Very low180 Ų180140.9 Ų140.994%0.94281%0.814SS**  trans-148.5143.5146.9-74.2-178.2000107.8
25D34.5Very low39.6Very low159 Ų159138.6 Ų138.685%0.8581%0.805SS**  trans-61.8169.2-177.6-85.5-49000114.6
26P47.4Very low39.9Very low104 Ų104130.6 Ų130.668%0.67579%0.789SS**  trans-90.8134.7-169.334.3-27000111.5
27D34.4Very low40.2Very low155 Ų155131.3 Ų131.383%0.82979%0.785SS**  trans-158.3128.5157.1-83.4-42.8000111.1
28E41.5Very low40.9Very low185 Ų185137.7 Ų137.786%0.86479%0.788SS**  trans13.8119.8148.9-43.4-173.914600119.2
29D38.2Very low41.3Very low150 Ų150135 Ų13580%0.80278%0.781SS**  162.4140.4113.5-162.126.9000112.4
30E44.4Very low42.5Very low182 Ų182139.7 Ų139.785%0.8579%0.789SS**  trans7.9123.5155.8-156.2171.3120.400120
31G37.9Very low43.6Very low68 Ų68141.1 Ų141.170%0.70179%0.788SS**  trans166.585.2166.800000115.5L33G31-L33 PolarHBondContact O-N 2.86Å
32D47.8Very low44.2Very low143 Ų143137.3 Ų137.377%0.76578%0.776SS**  trans-46.3114.8169.1-177.324.8000113.1
33L43.6Very low44.9Very low162 Ų162138.9 Ų138.985%0.84878%0.778SS**  trans-138.162.7164.4-67.9179.4000110.9G31 V35G31-L33 PolarHBondContact O-N 2.86Å; L33-V35 VanDerWaalsContact C-N 3.34Å; L33-V35 PolarHBondContact O-N 3.26Å
34V45.8Very low46Very low126 Ų126143 Ų14376%0.76478%0.782SS**  trans-67.294.1156.9170.40000108.4G36V34-G36 PolarHBondContact O-N 2.88Å
35V48.8Very low46.6Very low108 Ų108140.4 Ų140.466%0.65578%0.776SS**  trans-75.872.9163.2-176.30000108.2L33 F37L33-V35 VanDerWaalsContact C-N 3.34Å; L33-V35 PolarHBondContact O-N 3.26Å; V35-F37 HydrophobicContact CG1-CD2 4.17Å; V35-F37 HydrophobicContact CG1-CE1 4.48Å; V35-F37 HydrophobicContact CG1-CE2 3.69Å; V35-F37 HydrophobicContact CG1-CZ 3.86Å; V35-F37 PolarHBondContact O-N 3.02Å
36G44.8Very low47.4Very low48 Ų48138 Ų13850%0.49577%0.772SS.*  trans-80.5103166.500000108.8V34 R38V34-G36 PolarHBondContact O-N 2.88Å; G36-R38 VanDerWaalsContact C-N 3.27Å; G36-R38 PolarHBondContact O-N 3.4Å
37F47.1Very low47.9Very low191 Ų191145.3 Ų145.384%0.83879%0.786SS**  trans-63.890.6166.2-68.8-81.4000109V35 P39V35-F37 HydrophobicContact CG1-CD2 4.17Å; V35-F37 HydrophobicContact CG1-CE1 4.48Å; V35-F37 HydrophobicContact CG1-CE2 3.69Å; V35-F37 HydrophobicContact CG1-CZ 3.86Å; V35-F37 PolarHBondContact O-N 3.02Å; F37-P39 WeakPolarHBondContact O-CD 3.38Å
38R51.6Low48.6Very low230 Ų230148.2 Ų148.287%0.86879%0.786SS**  trans-78.4121.6171.8-69.7-170.1179-165.91.5109.2G36G36-R38 VanDerWaalsContact C-N 3.27Å; G36-R38 PolarHBondContact O-N 3.4Å
39P50Low48.5Very low103 Ų103144.2 Ų144.267%0.66978%0.778SS**  trans-61.8138.1170-17.930.9000110.4F37 S41F37-P39 WeakPolarHBondContact O-CD 3.38Å; P39-S41 PolarHBondContact O-N 3.05Å
40K59Low49.3Very low222 Ų222142.6 Ų142.697%0.96578%0.778SS**SBendtrans-7141.4-174.2-68.4-178173.4177.10115
41S53.8Low49Very low100 Ų100142.1 Ų142.170%0.69977%0.774SS**  trans-146.461.1-179.8600000111.9P39P39-S41 PolarHBondContact O-N 3.05Å
42S50.8Low49.5Very low101 Ų101143.5 Ų143.571%0.70677%0.773SS**  trans-132.7118.5167.6-62.40000109.2I44S42-I44 PolarHBondContact O-N 2.82Å
43P50.3Low49.1Very low131 Ų131144.5 Ų144.585%0.85178%0.778SS**  trans-68.3133.2176.8-4.818.5000109.7
44I59.3Low49.4Very low155 Ų155146.1 Ų146.180%0.79578%0.781SS**  trans-82.4128173.6-59165.4000107.5S42 S46S42-I44 PolarHBondContact O-N 2.82Å; I44-S46 PolarHBondContact O-N 3.45Å
45P48.5Very low49.5Very low125 Ų125147.1 Ų147.181%0.81278%0.783SS**  trans-69.8115.8176.426.2-30.4000110.1
46S50.6Low49.5Very low110 Ų110147 Ų14777%0.76979%0.786SS**  trans-75.1120.3170.7174.40000109.7I44 R48I44-S46 PolarHBondContact O-N 3.45Å; S46-R48 PolarHBondContact O-N 2.82Å
47R57.8Low49.9Very low256 Ų256151.6 Ų151.697%0.96680%0.799SS**  trans-69.5110.6166.8-105.3-173171.7-170.7-1.3108.1
48R48.1Very low50Low217 Ų217148.2 Ų148.282%0.81980%0.797SS**  trans-104122.7169.2-147.2175.9-164.7-140.72.7110.3S46S46-R48 PolarHBondContact O-N 2.82Å
49S41.3Very low50.1Low100 Ų100144.8 Ų144.870%0.69979%0.791SS**  trans-63.7152.6175.448.20000112.8
50S54.2Low50.3Low116 Ų116145 Ų14581%0.81179%0.792SS**  trans-57139.5175.854.40000114.6
51F38.4Very low50Low172 Ų172140 Ų14075%0.75478%0.782SS**  trans-155.3137.3138.559.3-86.4000108.8
52S47.6Very low50Low97 Ų97145.6 Ų145.668%0.67879%0.79SS**  trans-80.1150.5179.647.60000111.8
53D39.3Very low50.1Low165 Ų165145 Ų14588%0.88279%0.785SS**  -168.9141.8126.9-92.6-37.6000110.5
54E50.5Low50.2Low196 Ų196143.9 Ų143.992%0.91678%0.78SS**  trans-66.1137.1179.9-73.4-157.68700113.1
55D47.8Very low50.1Low147 Ų147140.4 Ų140.479%0.78677%0.769SS**  trans-166.1115.5138.3-161.210.2000111.7
56S49.4Very low51Low104 Ų104145.3 Ų145.373%0.72777%0.772SS**  trans52.1120.2153.5-56.40000122.3
57D52Low51.9Low145 Ų145150.5 Ų150.578%0.77577%0.774SS**  trans-51.2148.7172.4-87-50.2000115.3
58P49.6Very low52.6Low121 Ų121144.6 Ų144.679%0.78677%0.766SS**  -121.8138.890.634-30.7000112.9
59E54.4Low53.8Low157 Ų157138.7 Ų138.773%0.73476%0.758SS**  trans-39122.5174.6-85.3-178.4131.200111.8
60P53.7Low55.5Low109 Ų109141.7 Ų141.771%0.70876%0.759SS**  trans-66129.3172.425.9-30.4000107.8Y62P60-Y62 PolarHBondContact O-N 2.61Å; P60-Y62 VanDerWaalsContact O-N 3.14Å
61P53.3Low56.9Low116 Ų116138.3 Ų138.375%0.75374%0.738SS**  trans-55.3129.5174.922.7-31.8000108.2C63P61-C63 PolarHBondContact O-N 3.45Å
62Y53.1Low58.9Low218 Ų218133.1 Ų133.186%0.85572%0.718SS**  trans-35.6105.8175.5-78-93.9000109.4P60 S64P60-Y62 PolarHBondContact O-N 2.61Å; P60-Y62 VanDerWaalsContact O-N 3.14Å; Y62-S64 PolarHBondContact O-N 2.83Å
63C53.8Low60.3Low89 Ų89134.1 Ų134.160%0.60173%0.732SS**  trans-73.375.2-174.9-176.60000108.7P61 S65P61-C63 PolarHBondContact O-N 3.45Å; C63-S65 PolarHBondContact O-N 2.94Å
64S50.5Low62.2Low107 Ų107135 Ų13575%0.74873%0.728SS**  trans-80.980.5166.351.90000108.4Y62Y62-S64 PolarHBondContact O-N 2.83Å
65S58.9Low63.3Low82 Ų82128.4 Ų128.457%0.57371%0.713SS**  trans6195.3167.769.50000115.9C63 R67C63-S65 PolarHBondContact O-N 2.94Å; S65-R67 PolarHBondContact O-N 2.86Å
66R67.6Low64.7Low228 Ų228126.7 Ų126.786%0.8670%0.703SS**  trans-57.9105.8154.4-113.6169.9-83.7-117.7-3.5107.5
67R69.4Low65.9Low219 Ų219125.8 Ų125.883%0.82670%0.697SS**  trans-100.8127177.9-72175.766.7178.30.5108.5S65S65-R67 PolarHBondContact O-N 2.86Å
68V71.6Confident66.5Low132 Ų132124.2 Ų124.280%0.869%0.688SS**  trans-89.1119.8170.1-1720000106.5
69S73.8Confident67.3Low92 Ų92123.8 Ų123.864%0.64368%0.683SS**  trans-105.6143.3169.353.60000109.5
70F75.8Confident67.6Low164 Ų164124.5 Ų124.572%0.71969%0.686SS**  trans-84.4130172.8-65.7-83.4000108.7L78F70-L78 HydrophobicContact CB-CB 4.37Å; F70-L78 HydrophobicContact CB-CD1 4.1Å; F70-L78 PolarHBondContact O-N 3.13Å
71A85.3Confident67.9Low45 Ų45124.7 Ų124.737%0.37269%0.685SS.*BIsolated β-bridgetrans-131.6154.4178.300000111.1L76A71-L76 CarbonylContact C-O 3.55Å; A71-L76 WeakPolarHBondContact CA-O 3.31Å; A71-L76 WeakPolarHBondContact CB-O 3.42Å
72D78.9Confident68.1Low63 Ų63125.4 Ų125.434%0.33768%0.676SS.*  trans-70.5177.1174.676.6-3000111.6K74 G75 L76 L78D72-K74 PolarHBondContact O-N 3.42Å; D72-K74 VanDerWaalsContact OD1-C 3.31Å; D72-K74 VanDerWaalsContact OD1-CA 3.3Å; D72-K74 WeakPolarHBondContact OD1-CA 3.15Å; D72-K74 WeakPolarHBondContact OD1-CB 3.46Å; D72-K74 PolarHBondContact OD1-N 2.82Å; D72-G75 PolarHBondContact O-N 2.78Å; D72-G75 PolarHBondContact OD1-N 2.97Å; D72-L76 PolarHBondContact N-O 2.99Å; D72-L76 PolarHBondContact OD1-N 3.32Å; D72-L78 HydrophobicContact CB-CD2 4.01Å; D72-L78 HydrophobicContact CB-CG 4.49Å
73A77.7Confident68.5Low117 Ų117123.4 Ų123.497%0.96767%0.674SS**THydrogen-bonded Turntrans-61.6-9.317900000114.1
74K78.1Confident68.3Low183 Ų183124.9 Ų124.980%0.79667%0.671SS**THydrogen-bonded Turntrans-103.72.5175.8-59.7-176.3179.6-179.60112.7D72D72-K74 PolarHBondContact O-N 3.42Å; D72-K74 VanDerWaalsContact OD1-C 3.31Å; D72-K74 VanDerWaalsContact OD1-CA 3.3Å; D72-K74 WeakPolarHBondContact OD1-CA 3.15Å; D72-K74 WeakPolarHBondContact OD1-CB 3.46Å; D72-K74 PolarHBondContact OD1-N 2.82Å
75G74.7Confident68.8Low58 Ų58125.8 Ų125.860%0.59867%0.667SS**SBendtrans83.214.3178.200000114.7D72D72-G75 PolarHBondContact O-N 2.78Å; D72-G75 PolarHBondContact OD1-N 2.97Å
76L77.1Confident68.6Low112 Ų112127.4 Ų127.459%0.58667%0.674SS**  trans-91.6137.1177.3-60.6176.6000111.2A71 D72 L78A71-L76 CarbonylContact C-O 3.55Å; A71-L76 WeakPolarHBondContact CA-O 3.31Å; A71-L76 WeakPolarHBondContact CB-O 3.42Å; D72-L76 PolarHBondContact N-O 2.99Å; D72-L76 PolarHBondContact OD1-N 3.32Å; L76-L78 PolarHBondContact O-N 3.01Å
77S75.4Confident68.2Low85 Ų85121.9 Ų121.959%0.59465%0.653SS**BIsolated β-bridgetrans-52.7127179.2-174.10000112.2V79S77-V79 PolarHBondContact O-N 2.8Å
78L63.7Low67.1Low112 Ų112117.1 Ų117.159%0.58664%0.644SS**SBendtrans-76.759.8178.5-76.4167.5000111.9F70 D72 L76F70-L78 HydrophobicContact CB-CB 4.37Å; F70-L78 HydrophobicContact CB-CD1 4.1Å; F70-L78 PolarHBondContact O-N 3.13Å; D72-L78 HydrophobicContact CB-CD2 4.01Å; D72-L78 HydrophobicContact CB-CG 4.49Å; L76-L78 PolarHBondContact O-N 3.01Å
79V67.3Low66.1Low112 Ų112117.3 Ų117.368%0.67964%0.64SS**  trans-129.579.6172-166.90000109.1S77 V81S77-V79 PolarHBondContact O-N 2.8Å; V79-V81 HydrophobicContact CG1-CG2 4.31Å
80Q58.8Low64.9Low172 Ų172118.1 Ų118.180%0.80464%0.643SS**  trans-111.292.1158.7-168.8175.611.700107.7K82Q80-K82 PolarHBondContact O-N 2.72Å; Q80-K82 VanDerWaalsContact O-N 3.16Å
81V61.7Low63.2Low113 Ų113119.9 Ų119.969%0.68565%0.651SS**  trans-76.2100.7164.5-176.30000105.9V79 E83V79-V81 HydrophobicContact CG1-CG2 4.31Å; V81-E83 HydrophobicContact CG1-CG 3.97Å
82K57.3Low61.4Low131 Ų131125.3 Ų125.357%0.5767%0.673SS**  trans-93.796.4168.7-170.1155.1179.4171.20107Q80 F84Q80-K82 PolarHBondContact O-N 2.72Å; Q80-K82 VanDerWaalsContact O-N 3.16Å; K82-F84 HydrophobicContact CB-CD2 4.37Å; K82-F84 HydrophobicContact CB-CE2 3.79Å; K82-F84 HydrophobicContact CB-CZ 4.23Å; K82-F84 HydrophobicContact CD-CE1 4.05Å; K82-F84 HydrophobicContact CD-CE2 4.02Å; K82-F84 HydrophobicContact CD-CZ 3.55Å; K82-F84 HydrophobicContact CG-CD2 4.08Å; K82-F84 HydrophobicContact CG-CE1 4.13Å; K82-F84 HydrophobicContact CG-CE2 3.58Å; K82-F84 HydrophobicContact CG-CZ 3.61Å; K82-F84 WeakPolarHBondContact O-CD2 3.45Å; K82-F84 PolarHBondContact O-N 2.81Å
83E60Low59.6Low175 Ų175131.4 Ų131.482%0.81870%0.699SS**  trans-68.8110.1168.5-67-179.8178.900107.3V81V81-E83 HydrophobicContact CG1-CG 3.97Å
84F50.5Low57.7Low120 Ų120129.1 Ų129.153%0.52669%0.686SS.*  trans-88.5116.5166.9-65-91000106.2K82 T86 D88K82-F84 HydrophobicContact CB-CD2 4.37Å; K82-F84 HydrophobicContact CB-CE2 3.79Å; K82-F84 HydrophobicContact CB-CZ 4.23Å; K82-F84 HydrophobicContact CD-CE1 4.05Å; K82-F84 HydrophobicContact CD-CE2 4.02Å; K82-F84 HydrophobicContact CD-CZ 3.55Å; K82-F84 HydrophobicContact CG-CD2 4.08Å; K82-F84 HydrophobicContact CG-CE1 4.13Å; K82-F84 HydrophobicContact CG-CE2 3.58Å; K82-F84 HydrophobicContact CG-CZ 3.61Å; K82-F84 WeakPolarHBondContact O-CD2 3.45Å; K82-F84 PolarHBondContact O-N 2.81Å; F84-T86 PolarHBondContact O-N 2.85Å; F84-D88 WeakPolarHBondContact CD1-OD2 3.22Å
85D61.6Low56.1Low126 Ų126125.1 Ų125.167%0.67468%0.682SS**  trans-59.1137.5162.1-152.3-12.9000106.5W87 D88D85-W87 PolarHBondContact O-N 3.18Å; D85-D88 PolarHBondContact O-N 3.24Å
86T55.1Low54.2Low117 Ų117130.1 Ų130.172%0.71870%0.695SS**SBendtrans-68.87.2-171.1-42.40000112.3F84F84-T86 PolarHBondContact O-N 2.85Å
87W59.1Low52.3Low112 Ų112129.2 Ų129.242%0.42470%0.698SS.*SBendtrans-125.265175.8-72.3-105.9000110.9D85 L89 V182D85-W87 PolarHBondContact O-N 3.18Å; W87-L89 VanDerWaalsContact C-N 3.35Å; W87-L89 PolarHBondContact O-N 2.84Å; W87-V182 HydrophobicContact CH2-CG1 3.71Å; W87-V182 HydrophobicContact CZ2-CG1 3.87Å
88D45.8Very low50.6Low119 Ų119131.5 Ų131.564%0.63671%0.708SS**  trans-55.493.9171.7-90.9-35.1000111.9F84 D85F84-D88 WeakPolarHBondContact CD1-OD2 3.22Å; D85-D88 PolarHBondContact O-N 3.24Å
89L50.8Low49.6Very low136 Ų136131.3 Ų131.371%0.71271%0.711SS**  trans-85.6117.5152-75.8168.9000106.8W87 K91W87-L89 VanDerWaalsContact C-N 3.35Å; W87-L89 PolarHBondContact O-N 2.84Å; L89-K91 PolarHBondContact O-N 3.3Å
90P49.1Very low48.4Very low109 Ų109132 Ų13271%0.70872%0.716SS**  trans-68.3104177.925.3-30.5000109.9L92P90-L92 PolarHBondContact O-N 3.05Å
91K39.5Very low47.6Very low201 Ų201132.3 Ų132.387%0.87472%0.717SS**  trans-76.699.9161.5-69.4179.5-177172.60107.7L89 Q93L89-K91 PolarHBondContact O-N 3.3Å; K91-Q93 PolarHBondContact O-N 3.06Å
92L47.9Very low46.9Very low159 Ų159130.5 Ų130.583%0.83272%0.721SS**  trans-77.6106.1175.1-163.685.4000109.7P90P90-L92 PolarHBondContact O-N 3.05Å
93Q40.6Very low46.3Very low191 Ų191133.6 Ų133.689%0.89373%0.734SS**  trans-102.6130.4151-76.1-170.8-0.600108.3K91K91-Q93 PolarHBondContact O-N 3.06Å
94G38.1Very low46Very low68 Ų68132.2 Ų132.270%0.70173%0.733SS**  trans90.291.215900000116N96G94-N96 PolarHBondContact O-N 2.87Å
95S43.8Very low46.5Very low100 Ų100130.3 Ų130.370%0.69973%0.734SS**  trans-34127.3158.7172.50000114.4
96N34.2Very low47.1Very low163 Ų163127 Ų12787%0.87272%0.718SS**  trans-150.7100.9132-88.3-24.7000108.3G94 V98G94-N96 PolarHBondContact O-N 2.87Å; N96-V98 PolarHBondContact O-N 3.16Å
97S39.1Very low48.3Very low93 Ų93126.3 Ų126.365%0.6571%0.707SS**  trans-64.5115.7-178.8510000112.1V99S97-V99 PolarHBondContact O-N 3.4Å
98V38.6Very low49.5Very low132 Ų132123.3 Ų123.380%0.870%0.696SS**  trans-82.5100.2144.2178.50000105.4N96 V100N96-V98 PolarHBondContact O-N 3.16Å; V98-V100 HydrophobicContact CG1-CG2 4.32Å; V98-V100 PolarHBondContact O-N 3.5Å
99V42.2Very low51.5Low109 Ų109121.7 Ų121.766%0.66168%0.684SS**  trans-67.2102172.9-178.20000107S97 E101S97-V99 PolarHBondContact O-N 3.4Å; V99-E101 HydrophobicContact CG1-CG 4.09Å
100V43.5Very low53.4Low127 Ų127117 Ų11777%0.7766%0.66SS**  trans-95.9105.6154.6179.60000105.5V98V98-V100 HydrophobicContact CG1-CG2 4.32Å; V98-V100 PolarHBondContact O-N 3.5Å
101E41.6Very low55.4Low177 Ų177114.3 Ų114.383%0.82764%0.644SS**  trans-58.8137.1171.1-78178.4132.100110.7V99V99-E101 HydrophobicContact CG1-CG 4.09Å
102G47.3Very low57.9Low75 Ų75107.4 Ų107.477%0.77362%0.619SS**  trans90.363.1152.500000117.6
103K45.2Very low60Low196 Ų196104.8 Ų104.885%0.85261%0.606SS**  trans-140.5120.3142.9-107.7176.3-178176.80108.7S105K103-S105 VanDerWaalsContact C-N 3.35Å; K103-S105 PolarHBondContact O-N 3.19Å
104D51.8Low62.4Low146 Ų14697.6 Ų97.678%0.78158%0.575SS**  trans-49.8103.7166.1-155.413.5000106.8V106D104-V106 VanDerWaalsContact C-N 3.25Å; D104-V106 PolarHBondContact O-N 2.71Å
105S62.8Low64.8Low81 Ų8195.8 Ų95.857%0.56655%0.548SS*.  trans-77.590.4-173.15.90000105.7K103 E107K103-S105 VanDerWaalsContact C-N 3.35Å; K103-S105 PolarHBondContact O-N 3.19Å; S105-E107 PolarHBondContact O-N 2.83Å
106V72.4Confident66.9Low55 Ų5595.3 Ų95.333%0.33354%0.544SS..  trans-60.7110.6176.5178.60000107.9D104 Y108 R238D104-V106 VanDerWaalsContact C-N 3.25Å; D104-V106 PolarHBondContact O-N 2.71Å; V106-Y108 HydrophobicContact CB-CE2 4.46Å; V106-Y108 HydrophobicContact CG1-CE1 3.92Å; V106-Y108 HydrophobicContact CG1-CE2 3.86Å; V106-R238 HydrophobicContact CG1-CG 3.28Å
107E81.9Confident69.4Low103 Ų10389.6 Ų89.648%0.48151%0.514SS..EExtended strand (participates in β ladder)trans-85.6145.4174.1-163.5169.9176.100108.9S105 H109 R238 G239S105-E107 PolarHBondContact O-N 2.83Å; E107-H109 VanDerWaalsContact CD-CE1 3.46Å; E107-H109 IonicContact OE1-CE1 3.95Å; E107-H109 PolarHBondContact OE1-CE1 2.76Å; E107-H109 IonicContact OE2-CE1 2.56Å; E107-R238 CarbonylContact O-C 3.59Å; E107-G239 WeakPolarHBondContact O-CA 3.18Å; E107-G239 PolarHBondContact O-N 3.3Å
108Y84.3Confident71.6Confident50 Ų5090.9 Ų90.920%0.19652%0.519CS..EExtended strand (participates in β ladder)trans-119.5135.4174.6-64.7-77.6000109V106 T145 F203 Q237 R238V106-Y108 HydrophobicContact CB-CE2 4.46Å; V106-Y108 HydrophobicContact CG1-CE1 3.92Å; V106-Y108 HydrophobicContact CG1-CE2 3.86Å; Y108-T145 HydrophobicContact CD1-CG2 4.15Å; Y108-T145 HydrophobicContact CD2-CG2 3.89Å; Y108-T145 HydrophobicContact CE1-CG2 3.77Å; Y108-T145 HydrophobicContact CE2-CG2 3.47Å; Y108-T145 VanDerWaalsContact CE2-CG2 3.47Å; Y108-T145 HydrophobicContact CG-CG2 4.2Å; Y108-F203 HydrophobicContact CD1-CD2 4.18Å; Y108-F203 AromaticContact CD1-CE2 3.99Å; Y108-F203 HydrophobicContact CD1-CE2 3.99Å; Y108-F203 HydrophobicContact CD1-CZ 4.5Å; Y108-F203 AromaticContact CE1-CD2 3.46Å; Y108-F203 HydrophobicContact CE1-CD2 3.46Å; Y108-F203 VanDerWaalsContact CE1-CD2 3.46Å; Y108-F203 AromaticContact CE1-CE2 3.31Å; Y108-F203 HydrophobicContact CE1-CE2 3.31Å; Y108-F203 HydrophobicContact CE1-CG 4.43Å; Y108-F203 HydrophobicContact CE1-CZ 4.2Å; Y108-F203 AromaticContact CZ-CE2 3.91Å; Y108-Q237 CarbonylContact C-O 3.51Å; Y108-Q237 WeakPolarHBondContact CA-O 3.25Å; Y108-R238 HydrophobicContact CD1-CB 4.37Å; Y108-R238 HydrophobicContact CD1-CG 4.49Å; Y108-R238 HydrophobicContact CE1-CB 4.22Å; Y108-R238 HydrophobicContact CE1-CG 4.1Å
109H87.6Confident73.7Confident84 Ų8486 Ų8639%0.38949%0.489SS..EExtended strand (participates in β ladder)trans-114133.9178.7-56.1-52.6000109.5E107 C236 Q237 G239E107-H109 VanDerWaalsContact CD-CE1 3.46Å; E107-H109 IonicContact OE1-CE1 3.95Å; E107-H109 PolarHBondContact OE1-CE1 2.76Å; E107-H109 IonicContact OE2-CE1 2.56Å; H109-C236 WeakPolarHBondContact O-CA 3.39Å; H109-Q237 PolarHBondContact N-O 2.93Å; H109-Q237 PolarHBondContact O-N 3.47Å; H109-G239 WeakPolarHBondContact NE2-CA 3.47Å
110L90.2Very high76Confident39 Ų3984.1 Ų84.120%0.20448%0.479CS..EExtended strand (participates in β ladder)trans-107.7129.4175.7-168.971.6000109.6I138 L140 L147 L234 S235 C236L110-I138 HydrophobicContact CD2-CG2 4.42Å; L110-L140 HydrophobicContact CB-CD1 3.81Å; L110-L140 HydrophobicContact CB-CG 3.95Å; L110-L140 HydrophobicContact CD1-CD1 4.5Å; L110-L140 HydrophobicContact CD1-CG 4.33Å; L110-L140 HydrophobicContact CD2-CG 4.42Å; L110-L140 HydrophobicContact CG-CG 4.47Å; L110-L147 HydrophobicContact CD1-CD1 3.85Å; L110-L147 HydrophobicContact CD2-CD1 3.44Å; L110-L147 VanDerWaalsContact CD2-CD1 3.44Å; L110-L147 HydrophobicContact CG-CD1 4.31Å; L110-L234 HydrophobicContact CD1-CB 4.1Å; L110-L234 HydrophobicContact CD1-CD1 4.21Å; L110-L234 HydrophobicContact CD1-CD2 4.29Å; L110-L234 HydrophobicContact CD1-CG 4.45Å; L110-L234 HydrophobicContact CD2-CD1 4.48Å; L110-L234 HydrophobicContact CD2-CD2 4.17Å; L110-L234 HydrophobicContact CG-CD2 4.13Å; L110-S235 WeakPolarHBondContact CA-O 3.5Å; L110-C236 HydrophobicContact CD1-CB 4.22Å
111S91.3Very high78.2Confident52 Ų5282.9 Ų82.936%0.36448%0.476SS..EExtended strand (participates in β ladder)trans-127.7110.9178.3-56.90000110.5S235S111-S235 PolarHBondContact N-O 2.87Å; S111-S235 PolarHBondContact O-N 3.25Å
112P92.4Very high80.6Confident56 Ų5682.3 Ų82.336%0.36447%0.473SS..EExtended strand (participates in β ladder)trans-63.1132.5167.9-21.934.7000111.6F115 L234P112-F115 HydrophobicContact CB-CD1 4.41Å; P112-F115 HydrophobicContact CB-CD2 4.18Å; P112-F115 HydrophobicContact CB-CE1 4.2Å; P112-F115 HydrophobicContact CB-CE2 3.97Å; P112-F115 HydrophobicContact CB-CG 4.41Å; P112-F115 HydrophobicContact CB-CZ 4Å; P112-F115 WeakPolarHBondContact CB-O 3.46Å; P112-F115 HydrophobicContact CG-CE2 4.26Å; P112-F115 HydrophobicContact CG-CZ 4.43Å; P112-L234 HydrophobicContact CB-CD2 4.05Å; P112-L234 HydrophobicContact CG-CD2 3.93Å
113L91.6Very high82.7Confident104 Ų10483.3 Ų83.355%0.54546%0.458SS..SBendtrans-104.7-30.1-176.8-58.9-173.5000113.2V233L113-V233 HydrophobicContact CB-CB 4.2Å; L113-V233 HydrophobicContact CB-CG1 4.09Å; L113-V233 HydrophobicContact CD1-CG1 3.85Å; L113-V233 HydrophobicContact CG-CG1 4.33Å; L113-V233 PolarHBondContact N-O 3.14Å
114T90.3Very high85Confident39 Ų3974.3 Ų74.324%0.23942%0.419CS..SBendtrans-117.90.4-173.854.40000114.2N227 R230 N231 V233T114-N227 PolarHBondContact O-ND2 3.43Å; T114-R230 HydrophobicContact CG2-CB 4.5Å; T114-N231 PolarHBondContact OG1-O 3.31Å; T114-V233 HydrophobicContact CG2-CB 3.77Å; T114-V233 HydrophobicContact CG2-CG2 3.61Å; T114-V233 PolarHBondContact OG1-N 3.22Å
115F89.7Confident87Confident31 Ų3170.4 Ų70.414%0.13640%0.398CS..  trans-154164.1-17664.3-85.2000110.8P112 L117 L135 I138 F212 Y232 L234P112-F115 HydrophobicContact CB-CD1 4.41Å; P112-F115 HydrophobicContact CB-CD2 4.18Å; P112-F115 HydrophobicContact CB-CE1 4.2Å; P112-F115 HydrophobicContact CB-CE2 3.97Å; P112-F115 HydrophobicContact CB-CG 4.41Å; P112-F115 HydrophobicContact CB-CZ 4Å; P112-F115 WeakPolarHBondContact CB-O 3.46Å; P112-F115 HydrophobicContact CG-CE2 4.26Å; P112-F115 HydrophobicContact CG-CZ 4.43Å; F115-L117 HydrophobicContact CD2-CD1 4.12Å; F115-L117 HydrophobicContact CD2-CG 3.82Å; F115-L117 HydrophobicContact CE2-CD1 3.69Å; F115-L117 HydrophobicContact CE2-CG 3.86Å; F115-L135 HydrophobicContact CD2-CD2 4.43Å; F115-L135 HydrophobicContact CE2-CD2 3.8Å; F115-L135 HydrophobicContact CZ-CD2 3.99Å; F115-I138 HydrophobicContact CE2-CG2 3.93Å; F115-I138 HydrophobicContact CZ-CG2 4.06Å; F115-F212 HydrophobicContact CZ-CZ 4.43Å; F115-Y232 AromaticContact CD1-CD1 3.79Å; F115-Y232 HydrophobicContact CD1-CD1 3.79Å; F115-Y232 HydrophobicContact CD1-CG 4.41Å; F115-Y232 HydrophobicContact CD2-CD1 4.37Å; F115-Y232 AromaticContact CE1-CD1 3.99Å; F115-Y232 HydrophobicContact CE1-CD1 3.99Å; F115-Y232 HydrophobicContact CE1-CG 4.36Å; F115-Y232 AromaticContact CG-CD1 3.98Å; F115-Y232 HydrophobicContact CG-CD1 3.98Å; F115-Y232 HydrophobicContact CZ-CD1 4.34Å; F115-L234 HydrophobicContact CE1-CD2 3.96Å; F115-L234 HydrophobicContact CE1-CG 4.25Å; F115-L234 HydrophobicContact CE2-CD2 4.45Å; F115-L234 HydrophobicContact CZ-CD2 3.49Å; F115-L234 VanDerWaalsContact CZ-CD2 3.49Å; F115-L234 HydrophobicContact CZ-CG 4.07Å
116S86.4Confident88.5Confident90 Ų9069.4 Ų69.463%0.62940%0.395SS*.  trans-124.4129.7176.453.90000109.6
117L87.7Confident89.6Confident43 Ų4369.9 Ų69.923%0.22539%0.392CS..SBendtrans-129.5156173.1-69.7-178000109.2F115 L119 L135 E136 I138F115-L117 HydrophobicContact CD2-CD1 4.12Å; F115-L117 HydrophobicContact CD2-CG 3.82Å; F115-L117 HydrophobicContact CE2-CD1 3.69Å; F115-L117 HydrophobicContact CE2-CG 3.86Å; L117-L119 HydrophobicContact CD2-CB 4.33Å; L117-L119 HydrophobicContact CD2-CD1 3.87Å; L117-L119 HydrophobicContact CD2-CG 3.7Å; L117-L135 HydrophobicContact CD1-CD2 3.71Å; L117-L135 HydrophobicContact CD1-CG 3.88Å; L117-E136 WeakPolarHBondContact CD2-O 3.41Å; L117-I138 HydrophobicContact CD1-CB 4.15Å; L117-I138 HydrophobicContact CD1-CG2 3.84Å
118P84.2Confident90.2Very high119 Ų11965 Ų6577%0.77337%0.369SS*.SBendcis-73.3144.8-1.730.4-34.3000112.5
119L84.2Confident90.8Very high31 Ų3166.7 Ų66.716%0.16238%0.382CS..PPolyproline II helixtrans-85.1148.5168.9-71.1167000109.5L117 V124L117-L119 HydrophobicContact CD2-CB 4.33Å; L117-L119 HydrophobicContact CD2-CD1 3.87Å; L117-L119 HydrophobicContact CD2-CG 3.7Å; L119-V124 HydrophobicContact CB-CG2 3.68Å; L119-V124 HydrophobicContact CD1-CG2 4.46Å
120P89.7Confident91.1Very high69 Ų6966.8 Ų66.845%0.44839%0.391SS..PPolyproline II helixtrans-65.5147.4171.728.7-33.1000110.2E122 E123 V124P120-E122 PolarHBondContact O-N 2.8Å; P120-E122 VanDerWaalsContact O-N 3.13Å; P120-E123 HydrophobicContact CG-CB 3.92Å; P120-E123 HydrophobicContact CG-CG 3.67Å; P120-E123 VanDerWaalsContact CG-OE1 3.25Å; P120-E123 WeakPolarHBondContact CG-OE1 3.5Å; P120-E123 PolarHBondContact O-N 3.48Å; P120-V124 PolarHBondContact O-N 2.92Å; P120-V124 VanDerWaalsContact O-N 3.14Å
121S89Confident91.4Very high101 Ų10167 Ų6771%0.70639%0.391SS*.Hα-helixtrans-57.2-32.9-174.2-49.30000113.4V124 L125S121-V124 PolarHBondContact O-N 2.94Å; S121-L125 WeakPolarHBondContact O-CB 3.1Å; S121-L125 PolarHBondContact O-N 2.91Å
122E92.4Very high91.6Very high165 Ų16566.9 Ų66.977%0.77138%0.384SS*.Hα-helixtrans-65.7-41.8177-173.2178.1179.200112.4P120 L125 A126P120-E122 PolarHBondContact O-N 2.8Å; P120-E122 VanDerWaalsContact O-N 3.13Å; E122-L125 PolarHBondContact O-N 2.56Å; E122-A126 WeakPolarHBondContact O-CB 3.3Å; E122-A126 PolarHBondContact O-N 2.8Å
123E92.1Very high91.9Very high96 Ų9664.2 Ų64.245%0.44937%0.367SS..Hα-helixtrans-67.9-39.8176.3-75.6-177.1-138.600111.6P120 L125 A126 K127P120-E123 HydrophobicContact CG-CB 3.92Å; P120-E123 HydrophobicContact CG-CG 3.67Å; P120-E123 VanDerWaalsContact CG-OE1 3.25Å; P120-E123 WeakPolarHBondContact CG-OE1 3.5Å; P120-E123 PolarHBondContact O-N 3.48Å; E123-L125 VanDerWaalsContact C-N 3.34Å; E123-A126 PolarHBondContact O-N 3.47Å; E123-K127 WeakPolarHBondContact O-CB 3.45Å; E123-K127 VanDerWaalsContact O-CG 3.32Å; E123-K127 WeakPolarHBondContact O-CG 3.28Å; E123-K127 PolarHBondContact O-N 3.47Å
124V92.8Very high92.1Very high6 Ų659.6 Ų59.64%0.03634%0.343CS..Hα-helixtrans-59.9-48.1174.4177.60000109.7L119 P120 S121 A126 K127 V128 R152L119-V124 HydrophobicContact CB-CG2 3.68Å; L119-V124 HydrophobicContact CD1-CG2 4.46Å; P120-V124 PolarHBondContact O-N 2.92Å; P120-V124 VanDerWaalsContact O-N 3.14Å; S121-V124 PolarHBondContact O-N 2.94Å; V124-A126 PolarHBondContact O-N 2.91Å; V124-K127 PolarHBondContact O-N 2.78Å; V124-V128 HydrophobicContact CG1-CG2 4.23Å; V124-V128 WeakPolarHBondContact O-CB 3.22Å; V124-V128 VanDerWaalsContact O-CG2 3.26Å; V124-V128 WeakPolarHBondContact O-CG2 3.14Å; V124-V128 PolarHBondContact O-N 2.9Å; V124-R152 HydrophobicContact CG1-CB 4.07Å; V124-R152 HydrophobicContact CG1-CG 3.97Å
125L94.4Very high92.4Very high64 Ų6457.7 Ų57.734%0.33533%0.331SS..Hα-helixtrans-57.8-49.4177.2177.164.7000111.6S121 E122 E123 K127 V128 L129 V189 M190S121-L125 WeakPolarHBondContact O-CB 3.1Å; S121-L125 PolarHBondContact O-N 2.91Å; E122-L125 PolarHBondContact O-N 2.56Å; E123-L125 VanDerWaalsContact C-N 3.34Å; L125-K127 VanDerWaalsContact C-N 3.31Å; L125-K127 PolarHBondContact O-N 2.71Å; L125-V128 PolarHBondContact O-N 2.87Å; L125-L129 HydrophobicContact CD1-CD1 3.98Å; L125-L129 HydrophobicContact CD1-CG 4.05Å; L125-L129 HydrophobicContact CG-CD1 3.94Å; L125-L129 HydrophobicContact CG-CG 4.4Å; L125-L129 WeakPolarHBondContact O-CB 3.15Å; L125-L129 VanDerWaalsContact O-CG 3.3Å; L125-L129 WeakPolarHBondContact O-CG 3.39Å; L125-L129 PolarHBondContact O-N 2.85Å; L125-V189 HydrophobicContact CD1-CG1 4.45Å; L125-M190 HydrophobicContact CB-CE 4.2Å; L125-M190 HydrophobicContact CD1-CE 3.56Å; L125-M190 HydrophobicContact CD1-SD 3.78Å; L125-M190 HydrophobicContact CG-CE 4.46Å
126A94.7Very high92.6Very high61 Ų6159.3 Ų59.350%0.50434%0.339SS..Hα-helixtrans-59.8-41.4179.900000112.4E122 E123 V124 S130E122-A126 WeakPolarHBondContact O-CB 3.3Å; E122-A126 PolarHBondContact O-N 2.8Å; E123-A126 PolarHBondContact O-N 3.47Å; V124-A126 PolarHBondContact O-N 2.91Å; A126-S130 PolarHBondContact O-N 3.22Å; A126-S130 VanDerWaalsContact O-N 3.14Å; A126-S130 PolarHBondContact O-OG 2.9Å
127K94.3Very high93Very high64 Ų6456.9 Ų56.928%0.27833%0.325SS..Hα-helixtrans-68.9-40.3176.8-73.4-172.7-172.1-1800112.6E123 V124 L125 S130 Q131 E134E123-K127 WeakPolarHBondContact O-CB 3.45Å; E123-K127 VanDerWaalsContact O-CG 3.32Å; E123-K127 WeakPolarHBondContact O-CG 3.28Å; E123-K127 PolarHBondContact O-N 3.47Å; V124-K127 PolarHBondContact O-N 2.78Å; L125-K127 VanDerWaalsContact C-N 3.31Å; L125-K127 PolarHBondContact O-N 2.71Å; K127-S130 PolarHBondContact O-N 2.81Å; K127-S130 PolarHBondContact O-OG 3.09Å; K127-Q131 WeakPolarHBondContact O-CG 3.09Å; K127-Q131 PolarHBondContact O-N 2.79Å; K127-Q131 PolarHBondContact O-NE2 2.87Å; K127-E134 HydrophobicContact CB-CB 4.22Å; K127-E134 HydrophobicContact CB-CG 3.93Å; K127-E134 HydrophobicContact CD-CG 3.95Å; K127-E134 WeakPolarHBondContact CD-OE2 3.23Å
128V96.1Very high93.3Very high0 Ų056.2 Ų56.20%032%0.321CS..Hα-helixtrans-67.7-39.7176.4173.10000110.9V124 L125 S130 K132 E134 R152 L154 M190V124-V128 HydrophobicContact CG1-CG2 4.23Å; V124-V128 WeakPolarHBondContact O-CB 3.22Å; V124-V128 VanDerWaalsContact O-CG2 3.26Å; V124-V128 WeakPolarHBondContact O-CG2 3.14Å; V124-V128 PolarHBondContact O-N 2.9Å; L125-V128 PolarHBondContact O-N 2.87Å; V128-S130 VanDerWaalsContact C-N 3.32Å; V128-S130 PolarHBondContact O-N 2.84Å; V128-K132 WeakPolarHBondContact O-CA 3.32Å; V128-K132 PolarHBondContact O-N 3.47Å; V128-E134 HydrophobicContact CG2-CB 3.76Å; V128-R152 HydrophobicContact CG2-CB 3.85Å; V128-L154 HydrophobicContact CG1-CB 3.82Å; V128-L154 HydrophobicContact CG1-CD1 4.35Å; V128-L154 VanDerWaalsContact CG1-N 3.31Å; V128-M190 HydrophobicContact CB-SD 3.79Å; V128-M190 HydrophobicContact CG1-CG 3.84Å; V128-M190 HydrophobicContact CG1-SD 3.74Å; V128-M190 HydrophobicContact CG2-SD 4.03Å
129L95.9Very high93.7Very high87 Ų8751.9 Ų51.946%0.45530%0.297SS..Hα-helixtrans-63.3-38176.2-72.7172.7000112.2L125 K132 L154L125-L129 HydrophobicContact CD1-CD1 3.98Å; L125-L129 HydrophobicContact CD1-CG 4.05Å; L125-L129 HydrophobicContact CG-CD1 3.94Å; L125-L129 HydrophobicContact CG-CG 4.4Å; L125-L129 WeakPolarHBondContact O-CB 3.15Å; L125-L129 VanDerWaalsContact O-CG 3.3Å; L125-L129 WeakPolarHBondContact O-CG 3.39Å; L125-L129 PolarHBondContact O-N 2.85Å; L129-K132 PolarHBondContact O-NZ 2.72Å; L129-L154 HydrophobicContact CD2-CD1 3.85Å
130S94.8Very high94.1Very high85 Ų8552 Ų5259%0.59430%0.298SS*.Hα-helixtrans-74.6-58.6178.364.90000112.2A126 K127 V128 K132A126-S130 PolarHBondContact O-N 3.22Å; A126-S130 VanDerWaalsContact O-N 3.14Å; A126-S130 PolarHBondContact O-OG 2.9Å; K127-S130 PolarHBondContact O-N 2.81Å; K127-S130 PolarHBondContact O-OG 3.09Å; V128-S130 VanDerWaalsContact C-N 3.32Å; V128-S130 PolarHBondContact O-N 2.84Å; S130-K132 PolarHBondContact O-NZ 3.38Å
131Q95.2Very high94.1Very high43 Ų4351.4 Ų51.420%0.20129%0.291CS..Hα-helixtrans-105.20.1-168.889.3-160.6-6600115.1K127 V133 E134K127-Q131 WeakPolarHBondContact O-CG 3.09Å; K127-Q131 PolarHBondContact O-N 2.79Å; K127-Q131 PolarHBondContact O-NE2 2.87Å; Q131-V133 WeakPolarHBondContact CG-O 3.27Å; Q131-V133 PolarHBondContact O-N 3.49Å; Q131-E134 PolarHBondContact NE2-OE2 2.85Å
132K96.8Very high94Very high50 Ų5051.4 Ų51.422%0.21729%0.289CS..SBendtrans75.6-14.4174.4-44.2-53.6-177.4-104.60116.8V128 L129 S130 V153 L154 I156 Y216 F223V128-K132 WeakPolarHBondContact O-CA 3.32Å; V128-K132 PolarHBondContact O-N 3.47Å; L129-K132 PolarHBondContact O-NZ 2.72Å; S130-K132 PolarHBondContact O-NZ 3.38Å; K132-V153 CarbonylContact O-C 3.58Å; K132-V153 VanDerWaalsContact O-CA 3.31Å; K132-V153 WeakPolarHBondContact O-CA 3.43Å; K132-L154 HydrophobicContact CB-CB 4.42Å; K132-L154 HydrophobicContact CD-CB 4.19Å; K132-L154 HydrophobicContact CD-CD2 3.51Å; K132-L154 HydrophobicContact CD-CG 4.49Å; K132-L154 PolarHBondContact O-N 2.91Å; K132-I156 HydrophobicContact CB-CD1 4.28Å; K132-I156 HydrophobicContact CD-CD1 3.98Å; K132-I156 HydrophobicContact CG-CD1 4.11Å; K132-Y216 HydrophobicContact CB-CD1 4.03Å; K132-Y216 HydrophobicContact CB-CE1 4.27Å; K132-F223 HydrophobicContact CB-CB 4Å; K132-F223 HydrophobicContact CB-CD1 4.04Å; K132-F223 HydrophobicContact CB-CD2 4.07Å; K132-F223 HydrophobicContact CB-CG 3.75Å; K132-F223 HydrophobicContact CG-CB 4.46Å; K132-F223 HydrophobicContact CG-CD1 3.57Å; K132-F223 HydrophobicContact CG-CD2 4.26Å; K132-F223 HydrophobicContact CG-CE1 3.79Å; K132-F223 HydrophobicContact CG-CE2 4.44Å; K132-F223 HydrophobicContact CG-CG 3.83Å; K132-F223 HydrophobicContact CG-CZ 4.22Å
133V97.2Very high93.5Very high0 Ų047.2 Ų47.20%029%0.29CS..EExtended strand (participates in β ladder)trans-148.2140178.751.90000110.1Q131 V151 R152 V153 L214 Y216 F223 A225Q131-V133 WeakPolarHBondContact CG-O 3.27Å; Q131-V133 PolarHBondContact O-N 3.49Å; V133-V151 HydrophobicContact CG2-CG1 3.57Å; V133-R152 CarbonylContact C-O 3.55Å; V133-R152 WeakPolarHBondContact CA-O 3.38Å; V133-V153 HydrophobicContact CB-CG1 4.07Å; V133-V153 HydrophobicContact CG2-CG1 3.89Å; V133-L214 HydrophobicContact CG2-CB 3.85Å; V133-L214 HydrophobicContact CG2-CD1 3.97Å; V133-Y216 HydrophobicContact CB-CD1 4.49Å; V133-Y216 HydrophobicContact CB-CG 4.45Å; V133-F223 HydrophobicContact CG1-CB 4.42Å; V133-A225 HydrophobicContact CG1-CB 3.82Å; V133-A225 WeakPolarHBondContact O-CB 3.3Å
134E96.5Very high93.3Very high7 Ų745 Ų453%0.03328%0.283CS..EExtended strand (participates in β ladder)trans-151.7151.2176.4-175.156.9-115.100111K127 V128 Q131 V151 R152 Y232K127-E134 HydrophobicContact CB-CB 4.22Å; K127-E134 HydrophobicContact CB-CG 3.93Å; K127-E134 HydrophobicContact CD-CG 3.95Å; K127-E134 WeakPolarHBondContact CD-OE2 3.23Å; V128-E134 HydrophobicContact CG2-CB 3.76Å; Q131-E134 PolarHBondContact NE2-OE2 2.85Å; E134-V151 WeakPolarHBondContact O-CA 3.42Å; E134-R152 PolarHBondContact N-O 3.3Å; E134-R152 PolarHBondContact O-N 2.87Å; E134-Y232 PolarHBondContact OE1-OH 3.41Å
135L96.1Very high93Very high0 Ų045.6 Ų45.60%029%0.286CS..EExtended strand (participates in β ladder)trans-79.5123.5172.8-174.270.1000109.8F115 L117 I138 V151 F195 F212 L214 Y232F115-L135 HydrophobicContact CD2-CD2 4.43Å; F115-L135 HydrophobicContact CE2-CD2 3.8Å; F115-L135 HydrophobicContact CZ-CD2 3.99Å; L117-L135 HydrophobicContact CD1-CD2 3.71Å; L117-L135 HydrophobicContact CD1-CG 3.88Å; L135-I138 HydrophobicContact CD1-CD1 4.4Å; L135-I138 HydrophobicContact CD2-CB 4.39Å; L135-I138 HydrophobicContact CD2-CD1 4.21Å; L135-V151 HydrophobicContact CD1-CG2 4.25Å; L135-F195 HydrophobicContact CD1-CE1 4.3Å; L135-F212 HydrophobicContact CD1-CE2 4.23Å; L135-F212 HydrophobicContact CD1-CZ 4.45Å; L135-F212 HydrophobicContact CD2-CE2 3.96Å; L135-F212 HydrophobicContact CD2-CZ 3.65Å; L135-L214 HydrophobicContact CB-CD1 4.1Å; L135-Y232 HydrophobicContact CB-CD1 4.23Å; L135-Y232 HydrophobicContact CB-CE1 3.63Å; L135-Y232 HydrophobicContact CD2-CD1 3.61Å; L135-Y232 HydrophobicContact CD2-CE1 3.88Å; L135-Y232 HydrophobicContact CD2-CG 4.25Å; L135-Y232 HydrophobicContact CG-CE1 4.44Å
136E94.6Very high93Very high65 Ų6544.6 Ų44.630%0.30428%0.281SS..EExtended strand (participates in β ladder)trans-93.6-49.9-179.6178.6-177-168.700111.8L117 V150 R152L117-E136 WeakPolarHBondContact CD2-O 3.41Å; E136-V150 HydrophobicContact CB-CG1 4.42Å; E136-V150 PolarHBondContact N-O 3.08Å; E136-V150 VanDerWaalsContact OE2-CG1 3.27Å; E136-V150 WeakPolarHBondContact OE2-CG1 3.39Å; E136-R152 HydrophobicContact CB-CG 3.83Å; E136-R152 HydrophobicContact CG-CG 4.2Å; E136-R152 VanDerWaalsContact OE2-CD 3.23Å; E136-R152 WeakPolarHBondContact OE2-CD 3.35Å; E136-R152 WeakPolarHBondContact OE2-CG 3.5Å
137A93.9Very high93Very high39 Ų3941.7 Ų41.732%0.32226%0.257SS..EExtended strand (participates in β ladder)trans-143.3148.7-176.200000110.9G149 V150A137-G149 CarbonylContact O-C 3.42Å; A137-G149 VanDerWaalsContact O-CA 3.28Å; A137-G149 WeakPolarHBondContact O-CA 3.28Å; A137-V150 HydrophobicContact CB-CB 4.16Å; A137-V150 HydrophobicContact CB-CG2 4.28Å; A137-V150 PolarHBondContact N-O 3.37Å; A137-V150 PolarHBondContact O-N 3.11Å
138I95.1Very high93Very high29 Ų2941.3 Ų41.315%0.14926%0.255CS..EExtended strand (participates in β ladder)trans-149.3142.3171.8-155.3155.5000110.5L110 F115 L117 L135 L147 K148 F195 F212 L234L110-I138 HydrophobicContact CD2-CG2 4.42Å; F115-I138 HydrophobicContact CE2-CG2 3.93Å; F115-I138 HydrophobicContact CZ-CG2 4.06Å; L117-I138 HydrophobicContact CD1-CB 4.15Å; L117-I138 HydrophobicContact CD1-CG2 3.84Å; L135-I138 HydrophobicContact CD1-CD1 4.4Å; L135-I138 HydrophobicContact CD2-CB 4.39Å; L135-I138 HydrophobicContact CD2-CD1 4.21Å; I138-L147 HydrophobicContact CD1-CD1 4.28Å; I138-L147 HydrophobicContact CD1-CD2 4.13Å; I138-L147 HydrophobicContact CD1-CG 4.28Å; I138-L147 HydrophobicContact CG1-CD1 3.8Å; I138-L147 HydrophobicContact CG1-CD2 4.48Å; I138-L147 HydrophobicContact CG1-CG 4.1Å; I138-K148 WeakPolarHBondContact CA-O 3.39Å; I138-F195 HydrophobicContact CD1-CZ 4.04Å; I138-F212 HydrophobicContact CD1-CE1 3.73Å; I138-F212 HydrophobicContact CD1-CE2 4.33Å; I138-F212 HydrophobicContact CD1-CZ 3.38Å; I138-L234 HydrophobicContact CD1-CD1 3.68Å; I138-L234 HydrophobicContact CG1-CD1 4.32Å; I138-L234 HydrophobicContact CG2-CD2 4.21Å
139G93.1Very high93.1Very high27 Ų2741.3 Ų41.328%0.27826%0.255SS..EExtended strand (participates in β ladder)trans-168.8166.5-179.700000112.6K148G139-K148 PolarHBondContact N-O 3Å; G139-K148 PolarHBondContact O-N 3Å
140L91.7Very high93.1Very high35 Ų3537.7 Ų37.718%0.18324%0.237CC..EExtended strand (participates in β ladder)trans-87.9141.5170.6-71.7170.4000110L110 I146 L147L110-L140 HydrophobicContact CB-CD1 3.81Å; L110-L140 HydrophobicContact CB-CG 3.95Å; L110-L140 HydrophobicContact CD1-CD1 4.5Å; L110-L140 HydrophobicContact CD1-CG 4.33Å; L110-L140 HydrophobicContact CD2-CG 4.42Å; L110-L140 HydrophobicContact CG-CG 4.47Å; L140-I146 WeakPolarHBondContact CA-O 3.39Å; L140-L147 HydrophobicContact CD2-CB 4.37Å; L140-L147 HydrophobicContact CD2-CD1 4.37Å
141L90.3Very high93.2Very high56 Ų5633.6 Ų33.629%0.29321%0.208SC..PPolyproline II helixtrans-69.2128.5167.5-66.7-178.1000109G143 T144 I146 K148L141-G143 PolarHBondContact O-N 3.35Å; L141-T144 VanDerWaalsContact CB-OG1 3.3Å; L141-T144 WeakPolarHBondContact CB-OG1 3.37Å; L141-T144 PolarHBondContact O-N 2.88Å; L141-T144 PolarHBondContact O-OG1 3.01Å; L141-I146 HydrophobicContact CB-CB 4.38Å; L141-I146 HydrophobicContact CD1-CB 3.99Å; L141-I146 HydrophobicContact CD1-CD1 4.42Å; L141-I146 HydrophobicContact CD1-CG2 3.78Å; L141-I146 HydrophobicContact CG-CB 4.33Å; L141-I146 HydrophobicContact CG-CG2 4.33Å; L141-I146 PolarHBondContact N-O 3.18Å; L141-K148 HydrophobicContact CD2-CB 4.25Å; L141-K148 HydrophobicContact CD2-CD 4.11Å; L141-K148 HydrophobicContact CG-CB 4.4Å
142P85.9Confident93.3Very high101 Ų10132.7 Ų32.766%0.65620%0.203SC*.THydrogen-bonded Turntrans-51.9132.5-175.3-28.334.4000113.1T144P142-T144 PolarHBondContact O-N 2.95Å
143G82.2Confident93.4Very high77 Ų7730.3 Ų30.379%0.79419%0.193SC*.THydrogen-bonded Turntrans72.28.6179.200000115.1L141L141-G143 PolarHBondContact O-N 3.35Å
144T87.1Confident93.4Very high49 Ų4931.7 Ų31.730%0.30120%0.2SC..SBendtrans-130.5173.1178.977.60000111.7L141 P142 I146L141-T144 VanDerWaalsContact CB-OG1 3.3Å; L141-T144 WeakPolarHBondContact CB-OG1 3.37Å; L141-T144 PolarHBondContact O-N 2.88Å; L141-T144 PolarHBondContact O-OG1 3.01Å; P142-T144 PolarHBondContact O-N 2.95Å; T144-I146 PolarHBondContact OG1-N 2.93Å
145T88.4Confident93.4Very high18 Ų1834 Ų3411%0.1121%0.213CC..  trans-10118172.459.70000112.2Y108 L199 F203Y108-T145 HydrophobicContact CD1-CG2 4.15Å; Y108-T145 HydrophobicContact CD2-CG2 3.89Å; Y108-T145 HydrophobicContact CE1-CG2 3.77Å; Y108-T145 HydrophobicContact CE2-CG2 3.47Å; Y108-T145 VanDerWaalsContact CE2-CG2 3.47Å; Y108-T145 HydrophobicContact CG-CG2 4.2Å; T145-L199 WeakPolarHBondContact CB-O 3.05Å; T145-L199 WeakPolarHBondContact O-CB 3.4Å; T145-L199 PolarHBondContact O-N 2.61Å; T145-L199 PolarHBondContact OG1-O 2.88Å; T145-F203 HydrophobicContact CG2-CE2 3.38Å; T145-F203 HydrophobicContact CG2-CZ 3.43Å; T145-F203 VanDerWaalsContact CG2-CZ 3.43Å
146I92.8Very high93.3Very high44 Ų4437.1 Ų37.123%0.22623%0.228CC..EExtended strand (participates in β ladder)trans-88.9113-177.4-57.3173.1000108.5L140 L141 T144 K196 L197 T198L140-I146 WeakPolarHBondContact CA-O 3.39Å; L141-I146 HydrophobicContact CB-CB 4.38Å; L141-I146 HydrophobicContact CD1-CB 3.99Å; L141-I146 HydrophobicContact CD1-CD1 4.42Å; L141-I146 HydrophobicContact CD1-CG2 3.78Å; L141-I146 HydrophobicContact CG-CB 4.33Å; L141-I146 HydrophobicContact CG-CG2 4.33Å; L141-I146 PolarHBondContact N-O 3.18Å; T144-I146 PolarHBondContact OG1-N 2.93Å; I146-K196 HydrophobicContact CG2-CB 4.04Å; I146-K196 HydrophobicContact CG2-CG 4.38Å; I146-L197 CarbonylContact C-O 3.58Å; I146-L197 WeakPolarHBondContact CA-O 3.04Å; I146-T198 HydrophobicContact CG1-CG2 4.27Å
147L94.6Very high93.3Very high0 Ų035.5 Ų35.50%022%0.224CC..EExtended strand (participates in β ladder)trans-79121.3171-174.972.4000109L110 I138 L140 K196 L197 L234L110-L147 HydrophobicContact CD1-CD1 3.85Å; L110-L147 HydrophobicContact CD2-CD1 3.44Å; L110-L147 VanDerWaalsContact CD2-CD1 3.44Å; L110-L147 HydrophobicContact CG-CD1 4.31Å; I138-L147 HydrophobicContact CD1-CD1 4.28Å; I138-L147 HydrophobicContact CD1-CD2 4.13Å; I138-L147 HydrophobicContact CD1-CG 4.28Å; I138-L147 HydrophobicContact CG1-CD1 3.8Å; I138-L147 HydrophobicContact CG1-CD2 4.48Å; I138-L147 HydrophobicContact CG1-CG 4.1Å; L140-L147 HydrophobicContact CD2-CB 4.37Å; L140-L147 HydrophobicContact CD2-CD1 4.37Å; L147-K196 CarbonylContact O-C 3.47Å; L147-K196 VanDerWaalsContact O-CA 3.28Å; L147-K196 WeakPolarHBondContact O-CA 3.27Å; L147-L197 HydrophobicContact CB-CB 4.23Å; L147-L197 HydrophobicContact CD2-CD2 4.12Å; L147-L197 PolarHBondContact N-O 2.84Å; L147-L197 PolarHBondContact O-N 2.65Å; L147-L234 HydrophobicContact CD1-CD1 3.88Å; L147-L234 HydrophobicContact CD2-CD1 3.63Å; L147-L234 HydrophobicContact CG-CD1 4.38Å
148K96Very high93.3Very high55 Ų5544.1 Ų44.124%0.23925%0.25CC..EExtended strand (participates in β ladder)trans-108.6127.5171.7-176.9-178.7176.1-174.60108.8I138 G139 L141 F195I138-K148 WeakPolarHBondContact CA-O 3.39Å; G139-K148 PolarHBondContact N-O 3Å; G139-K148 PolarHBondContact O-N 3Å; L141-K148 HydrophobicContact CD2-CB 4.25Å; L141-K148 HydrophobicContact CD2-CD 4.11Å; L141-K148 HydrophobicContact CG-CB 4.4Å; K148-F195 WeakPolarHBondContact CA-O 3.23Å
149G96.5Very high93.4Very high0 Ų048.1 Ų48.10%027%0.271CS..EExtended strand (participates in β ladder)trans-121.8153.3171.900000112.1A137 S194 F195A137-G149 CarbonylContact O-C 3.42Å; A137-G149 VanDerWaalsContact O-CA 3.28Å; A137-G149 WeakPolarHBondContact O-CA 3.28Å; G149-S194 VanDerWaalsContact O-CA 3.28Å; G149-S194 WeakPolarHBondContact O-CA 3.45Å; G149-F195 VanDerWaalsContact CA-CE1 3.43Å; G149-F195 PolarHBondContact N-O 3.47Å; G149-F195 VanDerWaalsContact N-O 3.09Å; G149-F195 PolarHBondContact O-N 2.97Å
150V96.7Very high93.5Very high11 Ų1148.2 Ų48.27%0.06726%0.264CS..EExtended strand (participates in β ladder)trans-119.8128.6173.8-174.60000108.1E136 A137 F193E136-V150 HydrophobicContact CB-CG1 4.42Å; E136-V150 PolarHBondContact N-O 3.08Å; E136-V150 VanDerWaalsContact OE2-CG1 3.27Å; E136-V150 WeakPolarHBondContact OE2-CG1 3.39Å; A137-V150 HydrophobicContact CB-CB 4.16Å; A137-V150 HydrophobicContact CB-CG2 4.28Å; A137-V150 PolarHBondContact N-O 3.37Å; A137-V150 PolarHBondContact O-N 3.11Å; V150-F193 CarbonylContact C-O 3.6Å; V150-F193 WeakPolarHBondContact CA-O 3.42Å
151V97.5Very high93.9Very high0 Ų048.3 Ų48.30%027%0.268CS..EExtended strand (participates in β ladder)trans-118.4130.6-176.8177.80000108.2V133 E134 L135 V153 V162 S192 F193 F195 L214V133-V151 HydrophobicContact CG2-CG1 3.57Å; E134-V151 WeakPolarHBondContact O-CA 3.42Å; L135-V151 HydrophobicContact CD1-CG2 4.25Å; V151-V153 HydrophobicContact CG1-CG1 4.17Å; V151-V162 HydrophobicContact CB-CG1 4.41Å; V151-V162 HydrophobicContact CG1-CG1 3.99Å; V151-S192 WeakPolarHBondContact O-CA 3.46Å; V151-F193 PolarHBondContact N-O 2.71Å; V151-F193 PolarHBondContact O-N 3.06Å; V151-F195 HydrophobicContact CG2-CD1 4.12Å; V151-F195 HydrophobicContact CG2-CE1 4Å; V151-L214 HydrophobicContact CG1-CD1 3.88Å; V151-L214 HydrophobicContact CG2-CD1 4.05Å; V151-L214 HydrophobicContact CG2-CD2 3.8Å
152R97.1Very high94.2Very high24 Ų2445.6 Ų45.69%0.09125%0.254CS..EExtended strand (participates in β ladder)trans-98.9135.1171.7-67.7-71.6-79.1-176.1-6.9109.3V124 V128 V133 E134 E136 S185 D187 D191 S192V124-R152 HydrophobicContact CG1-CB 4.07Å; V124-R152 HydrophobicContact CG1-CG 3.97Å; V128-R152 HydrophobicContact CG2-CB 3.85Å; V133-R152 CarbonylContact C-O 3.55Å; V133-R152 WeakPolarHBondContact CA-O 3.38Å; E134-R152 PolarHBondContact N-O 3.3Å; E134-R152 PolarHBondContact O-N 2.87Å; E136-R152 HydrophobicContact CB-CG 3.83Å; E136-R152 HydrophobicContact CG-CG 4.2Å; E136-R152 VanDerWaalsContact OE2-CD 3.23Å; E136-R152 WeakPolarHBondContact OE2-CD 3.35Å; E136-R152 WeakPolarHBondContact OE2-CG 3.5Å; R152-S185 PolarHBondContact NH1-O 2.98Å; R152-D187 IonicContact NH2-OD1 3.19Å; R152-D187 IonicContact NH2-OD2 3.75Å; R152-D187 PolarHBondContact NH2-OD2 3.5Å; R152-D191 WeakPolarHBondContact CA-O 3.49Å; R152-S192 WeakPolarHBondContact CD-OG 3.32Å; R152-S192 PolarHBondContact NH1-OG 3.39Å
153V97.7Very high94.8Very high0 Ų043.4 Ų43.40%023%0.233CC..EExtended strand (participates in β ladder)trans-126.7150175.2-59.40000110.9K132 V133 V151 N155 K160 V162 M190 D191 F193 Y216K132-V153 CarbonylContact O-C 3.58Å; K132-V153 VanDerWaalsContact O-CA 3.31Å; K132-V153 WeakPolarHBondContact O-CA 3.43Å; V133-V153 HydrophobicContact CB-CG1 4.07Å; V133-V153 HydrophobicContact CG2-CG1 3.89Å; V151-V153 HydrophobicContact CG1-CG1 4.17Å; V153-N155 PolarHBondContact O-N 2.96Å; V153-K160 HydrophobicContact CG2-CD 4.29Å; V153-V162 HydrophobicContact CG1-CG2 3.58Å; V153-M190 CarbonylContact O-C 3.54Å; V153-M190 WeakPolarHBondContact O-CA 3.24Å; V153-M190 WeakPolarHBondContact O-CB 3.42Å; V153-D191 HydrophobicContact CG2-CB 3.99Å; V153-D191 PolarHBondContact N-O 3.15Å; V153-D191 PolarHBondContact O-N 3.18Å; V153-F193 HydrophobicContact CG1-CD2 4.49Å; V153-F193 HydrophobicContact CG2-CD2 3.8Å; V153-F193 HydrophobicContact CG2-CE2 3.55Å; V153-Y216 HydrophobicContact CB-CD1 4.28Å; V153-Y216 HydrophobicContact CB-CD2 4.19Å; V153-Y216 HydrophobicContact CB-CE1 4.07Å; V153-Y216 HydrophobicContact CB-CE2 3.95Å; V153-Y216 HydrophobicContact CB-CG 4.35Å; V153-Y216 HydrophobicContact CG1-CD1 4.4Å; V153-Y216 HydrophobicContact CG1-CD2 3.93Å; V153-Y216 HydrophobicContact CG1-CE2 4.16Å; V153-Y216 HydrophobicContact CG1-CG 4.05Å; V153-Y216 HydrophobicContact CG2-CE2 3.97Å
154L97.5Very high95.6Very high28 Ų2839.8 Ų39.815%0.14720%0.195CC..EExtended strand (participates in β ladder)trans-71128172.2-169.569.5000108.9V128 L129 K132 I156 V189 Y216V128-L154 HydrophobicContact CG1-CB 3.82Å; V128-L154 HydrophobicContact CG1-CD1 4.35Å; V128-L154 VanDerWaalsContact CG1-N 3.31Å; L129-L154 HydrophobicContact CD2-CD1 3.85Å; K132-L154 HydrophobicContact CB-CB 4.42Å; K132-L154 HydrophobicContact CD-CB 4.19Å; K132-L154 HydrophobicContact CD-CD2 3.51Å; K132-L154 HydrophobicContact CD-CG 4.49Å; K132-L154 PolarHBondContact O-N 2.91Å; L154-I156 VanDerWaalsContact C-N 3.27Å; L154-I156 HydrophobicContact CB-CD1 4.31Å; L154-I156 HydrophobicContact CB-CG1 4.06Å; L154-I156 HydrophobicContact CD2-CD1 4.17Å; L154-I156 HydrophobicContact CD2-CG1 3.82Å; L154-I156 HydrophobicContact CG-CG1 3.92Å; L154-I156 PolarHBondContact O-N 3.27Å; L154-V189 HydrophobicContact CD1-CG1 4Å; L154-V189 WeakPolarHBondContact CD1-O 3.46Å; L154-Y216 PolarHBondContact O-OH 2.88Å
155N96Very high96.1Very high57 Ų5740.2 Ų40.231%0.30519%0.191SC..  trans-76.376.8-179.3-172.714.4000111.1V153 K160 V189 D191V153-N155 PolarHBondContact O-N 2.96Å; N155-K160 PolarHBondContact OD1-NZ 2.78Å; N155-K160 VanDerWaalsContact OD1-NZ 3.13Å; N155-V189 WeakPolarHBondContact CB-O 3.43Å; N155-V189 PolarHBondContact N-O 3.3Å; N155-D191 WeakPolarHBondContact CB-OD2 2.84Å; N155-D191 PolarHBondContact OD1-OD2 3.45Å
156I95.1Very high96.5Very high65 Ų6539.4 Ų39.433%0.33319%0.186SC..  trans-88.6-30.1-179.2-53.2164.1000111.3K132 L154 Y216 V220 F223K132-I156 HydrophobicContact CB-CD1 4.28Å; K132-I156 HydrophobicContact CD-CD1 3.98Å; K132-I156 HydrophobicContact CG-CD1 4.11Å; L154-I156 VanDerWaalsContact C-N 3.27Å; L154-I156 HydrophobicContact CB-CD1 4.31Å; L154-I156 HydrophobicContact CB-CG1 4.06Å; L154-I156 HydrophobicContact CD2-CD1 4.17Å; L154-I156 HydrophobicContact CD2-CG1 3.82Å; L154-I156 HydrophobicContact CG-CG1 3.92Å; L154-I156 PolarHBondContact O-N 3.27Å; I156-Y216 HydrophobicContact CD1-CE1 4.07Å; I156-V220 HydrophobicContact CG2-CG2 3.72Å; I156-F223 HydrophobicContact CD1-CE2 3.96Å; I156-F223 HydrophobicContact CD1-CZ 4.21Å
157S94.6Very high96.6Very high30 Ų3037.3 Ų37.321%0.2118%0.176CC..  trans-147.6152.1-179.2-1670000111.1N159 K160S157-N159 PolarHBondContact OG-O 2.81Å; S157-K160 WeakPolarHBondContact O-CD 3.4Å; S157-K160 PolarHBondContact O-NZ 2.9Å
158Y93.9Very high96.6Very high220 Ų22041.4 Ų41.486%0.86320%0.197SC*.SBendtrans-69-47.2170.9179.2-98.1000111.3K160Y158-K160 PolarHBondContact O-N 2.79Å
159N96.3Very high96.3Very high113 Ų11341.4 Ų41.460%0.60420%0.2SC*.SBendtrans-79.6106.1174.8-172.9-10.6000108.4S157 P219S157-N159 PolarHBondContact OG-O 2.81Å; N159-P219 HydrophobicContact CB-CG 4.43Å; N159-P219 WeakPolarHBondContact O-CD 3.17Å
160K96.8Very high96.1Very high30 Ų3050.5 Ų50.513%0.1323%0.234CC..  trans-152.9153.7-178.360.3177.5170.3-80.40111.1V153 N155 S157 Y158 D191 F193 Y216 E217 T218V153-K160 HydrophobicContact CG2-CD 4.29Å; N155-K160 PolarHBondContact OD1-NZ 2.78Å; N155-K160 VanDerWaalsContact OD1-NZ 3.13Å; S157-K160 WeakPolarHBondContact O-CD 3.4Å; S157-K160 PolarHBondContact O-NZ 2.9Å; Y158-K160 PolarHBondContact O-N 2.79Å; K160-D191 WeakPolarHBondContact CE-OD2 3.45Å; K160-D191 IonicContact NZ-OD2 3.92Å; K160-D191 PolarHBondContact NZ-OD2 3.25Å; K160-F193 HydrophobicContact CD-CE2 4.23Å; K160-F193 HydrophobicContact CD-CZ 4.11Å; K160-F193 HydrophobicContact CG-CZ 4.06Å; K160-Y216 HydrophobicContact CB-CE2 3.74Å; K160-Y216 HydrophobicContact CD-CE2 3.78Å; K160-Y216 VanDerWaalsContact CD-OH 3.32Å; K160-Y216 WeakPolarHBondContact CD-OH 3.39Å; K160-Y216 HydrophobicContact CG-CE2 4.25Å; K160-E217 CarbonylContact C-O 3.58Å; K160-E217 WeakPolarHBondContact CA-O 3.4Å; K160-T218 HydrophobicContact CB-CG2 4.03Å
161S98.1Very high96Very high36 Ų3653.8 Ų53.825%0.25225%0.245SC..EExtended strand (participates in β ladder)trans-138.8138.5179-63.10000110.1E217S161-E217 PolarHBondContact N-O 2.81Å; S161-E217 PolarHBondContact O-N 3.19Å
162V98.4Very high95.9Very high0 Ų057.7 Ų57.70%028%0.277CS..EExtended strand (participates in β ladder)trans-115.7125.7177.31780000107.7V151 V153 A179 F193 R215 Y216V151-V162 HydrophobicContact CB-CG1 4.41Å; V151-V162 HydrophobicContact CG1-CG1 3.99Å; V153-V162 HydrophobicContact CG1-CG2 3.58Å; V162-A179 HydrophobicContact CB-CB 4.05Å; V162-A179 HydrophobicContact CG1-CB 4Å; V162-A179 WeakPolarHBondContact O-CB 3.24Å; V162-A179 PolarHBondContact O-N 2.83Å; V162-F193 HydrophobicContact CB-CB 4.22Å; V162-F193 HydrophobicContact CB-CD1 4.04Å; V162-F193 HydrophobicContact CB-CG 4.02Å; V162-F193 HydrophobicContact CG1-CB 4.44Å; V162-F193 HydrophobicContact CG2-CB 4.24Å; V162-F193 HydrophobicContact CG2-CD1 3.91Å; V162-F193 HydrophobicContact CG2-CD2 3.74Å; V162-F193 HydrophobicContact CG2-CE1 4.2Å; V162-F193 HydrophobicContact CG2-CE2 4.06Å; V162-F193 HydrophobicContact CG2-CG 3.68Å; V162-F193 HydrophobicContact CG2-CZ 4.28Å; V162-R215 CarbonylContact C-O 3.49Å; V162-R215 WeakPolarHBondContact CA-O 3.04Å; V162-Y216 HydrophobicContact CG2-CD2 3.86Å; V162-Y216 HydrophobicContact CG2-CE2 4.4Å
163Y98.4Very high95.8Very high55 Ų5560.7 Ų60.722%0.21630%0.299CS..EExtended strand (participates in β ladder)trans-116.6143175.6-58.7-94.9000110.2D176 L177 L178 R215 E217Y163-D176 HydrophobicContact CD1-CB 4.4Å; Y163-L177 CarbonylContact C-O 3.58Å; Y163-L177 VanDerWaalsContact CA-O 3.23Å; Y163-L177 WeakPolarHBondContact CA-O 3.35Å; Y163-L178 HydrophobicContact CD1-CB 4.36Å; Y163-L178 HydrophobicContact CD1-CD1 4.07Å; Y163-L178 HydrophobicContact CE1-CB 4.28Å; Y163-L178 HydrophobicContact CE1-CD1 3.68Å; Y163-L178 HydrophobicContact CE2-CD1 4.42Å; Y163-R215 PolarHBondContact N-O 3.47Å; Y163-R215 PolarHBondContact O-N 2.76Å; Y163-E217 HydrophobicContact CE2-CG 4.44Å; Y163-E217 VanDerWaalsContact CE2-OE2 3.22Å; Y163-E217 WeakPolarHBondContact CE2-OE2 3.15Å
164V98.1Very high95.8Very high0 Ų065.6 Ų65.60%032%0.321CS..EExtended strand (participates in β ladder)trans-108.7102.4171.3-173.80000107.4T166 L177 F195 F212 L214V164-T166 PolarHBondContact O-N 3.23Å; V164-T166 PolarHBondContact O-OG1 2.82Å; V164-L177 HydrophobicContact CB-CB 4.37Å; V164-L177 PolarHBondContact N-O 2.94Å; V164-L177 PolarHBondContact O-N 3.28Å; V164-F195 HydrophobicContact CB-CD2 4.38Å; V164-F195 HydrophobicContact CB-CG 4.37Å; V164-F195 HydrophobicContact CG1-CD2 4.31Å; V164-F195 HydrophobicContact CG1-CE1 4.43Å; V164-F195 HydrophobicContact CG1-CE2 4.03Å; V164-F195 HydrophobicContact CG1-CZ 4.08Å; V164-F195 HydrophobicContact CG2-CB 4.08Å; V164-F195 HydrophobicContact CG2-CD1 3.52Å; V164-F195 HydrophobicContact CG2-CD2 4.1Å; V164-F195 HydrophobicContact CG2-CE1 3.83Å; V164-F195 HydrophobicContact CG2-CE2 4.41Å; V164-F195 HydrophobicContact CG2-CG 3.64Å; V164-F195 HydrophobicContact CG2-CZ 4.27Å; V164-F212 HydrophobicContact CG1-CB 3.92Å; V164-F212 HydrophobicContact CG1-CD2 3.81Å; V164-F212 HydrophobicContact CG1-CG 4.11Å; V164-L214 HydrophobicContact CB-CD2 4.47Å; V164-L214 HydrophobicContact CG1-CD2 4.21Å; V164-L214 HydrophobicContact CG2-CD2 3.85Å
165R97.8Very high95.7Very high58 Ų5868 Ų6822%0.21933%0.33CS..EExtended strand (participates in β ladder)trans-79.8120.3174.7179.5166.9-70.1-179.5-0.9108.3W171 H174 F175 D176 F212 C213 W224R165-W171 HydrophobicContact CG-CH2 4.05Å; R165-W171 HydrophobicContact CG-CZ3 3.67Å; R165-H174 HydrophobicContact CG-CB 4.13Å; R165-F175 WeakPolarHBondContact CA-O 3.35Å; R165-D176 WeakPolarHBondContact CA-OD1 3.07Å; R165-D176 WeakPolarHBondContact CB-OD1 3.3Å; R165-D176 WeakPolarHBondContact CG-OD1 3.4Å; R165-D176 IonicContact CZ-OD1 3.6Å; R165-D176 IonicContact CZ-OD2 3.63Å; R165-D176 IonicContact NE-OD1 2.76Å; R165-D176 PolarHBondContact NE-OD1 2.88Å; R165-D176 IonicContact NE-OD2 3.55Å; R165-D176 IonicContact NH2-OD1 3.55Å; R165-D176 IonicContact NH2-OD2 2.83Å; R165-D176 PolarHBondContact NH2-OD2 2.78Å; R165-F212 CarbonylContact O-C 3.43Å; R165-F212 WeakPolarHBondContact O-CA 3.28Å; R165-F212 VanDerWaalsContact O-CB 3.27Å; R165-F212 WeakPolarHBondContact O-CB 3.49Å; R165-C213 PolarHBondContact N-O 2.9Å; R165-C213 PolarHBondContact O-N 2.96Å; R165-W224 HydrophobicContact CB-CZ3 4.42Å
166T96.7Very high95.8Very high1 Ų167.9 Ų67.91%0.00633%0.33CS..EExtended strand (participates in β ladder)trans-122.9144.4-171.1-550000110.4V164 H174 F175 L197 V210 D211V164-T166 PolarHBondContact O-N 3.23Å; V164-T166 PolarHBondContact O-OG1 2.82Å; T166-H174 CarbonylContact O-C 3.53Å; T166-H174 WeakPolarHBondContact O-CA 3.19Å; T166-F175 HydrophobicContact CG2-CE1 4.06Å; T166-F175 HydrophobicContact CG2-CE2 4.3Å; T166-F175 HydrophobicContact CG2-CZ 3.66Å; T166-F175 PolarHBondContact N-O 3.27Å; T166-F175 PolarHBondContact O-N 2.94Å; T166-L197 HydrophobicContact CG2-CD2 3.79Å; T166-V210 HydrophobicContact CG2-CG1 3.75Å; T166-D211 CarbonylContact C-O 3.59Å; T166-D211 VanDerWaalsContact CA-O 3.32Å; T166-D211 WeakPolarHBondContact CA-O 3.2Å
167S95.5Very high96Very high1 Ų166.8 Ų66.81%0.00732%0.324CS..EExtended strand (participates in β ladder)trans-134.9144.3170.8174.30000110.3D169 W171 T173 D211S167-D169 PolarHBondContact OG-N 2.85Å; S167-D169 PolarHBondContact OG-OD1 3.06Å; S167-W171 VanDerWaalsContact OG-CA 3.28Å; S167-W171 WeakPolarHBondContact OG-CA 3.38Å; S167-W171 PolarHBondContact OG-N 2.79Å; S167-T173 WeakPolarHBondContact CB-O 3.4Å; S167-T173 PolarHBondContact OG-O 2.92Å; S167-D211 PolarHBondContact N-O 2.87Å; S167-D211 PolarHBondContact O-N 2.83Å
168L92.9Very high96.1Very high85 Ų8570.5 Ų70.545%0.44534%0.341SS..SBendtrans-112.21176.7-57.3179.3000112.3F175 L199 V208 V210L168-F175 HydrophobicContact CG-CE1 4.47Å; L168-L199 HydrophobicContact CD2-CD2 4.24Å; L168-V208 HydrophobicContact CD2-CG1 4.19Å; L168-V210 HydrophobicContact CD2-CB 4.25Å; L168-V210 HydrophobicContact CD2-CG1 4.12Å; L168-V210 HydrophobicContact CD2-CG2 3.85Å
169D91.1Very high96.3Very high56 Ų5660.3 Ų60.330%0.29930%0.303SS..SBendtrans-13429.9-170.363.90.2000112.5S167 A172 T173S167-D169 PolarHBondContact OG-N 2.85Å; S167-D169 PolarHBondContact OG-OD1 3.06Å; D169-A172 HydrophobicContact CB-CB 4.39Å; D169-A172 PolarHBondContact OD1-N 2.8Å; D169-A172 VanDerWaalsContact OD1-N 3.13Å; D169-T173 VanDerWaalsContact CG-N 3.26Å; D169-T173 VanDerWaalsContact CG-OG1 3.29Å; D169-T173 PolarHBondContact OD1-N 3.49Å; D169-T173 VanDerWaalsContact OD1-O 3.06Å; D169-T173 PolarHBondContact OD1-OG1 2.77Å; D169-T173 VanDerWaalsContact OD2-CB 3.31Å; D169-T173 WeakPolarHBondContact OD2-CB 3.28Å; D169-T173 WeakPolarHBondContact OD2-CG2 3.43Å; D169-T173 PolarHBondContact OD2-N 2.91Å; D169-T173 PolarHBondContact OD2-OG1 3.46Å
170R92Very high96.4Very high191 Ų19161.5 Ų61.572%0.72131%0.305SS*.THydrogen-bonded Turntrans60.444.9-179.5-45.6-173.2178.881.20.1113.1A172R170-A172 VanDerWaalsContact C-N 3.29Å; R170-A172 PolarHBondContact O-N 2.83Å
171W95.1Very high96.5Very high80 Ų8064.9 Ų64.930%0.30332%0.317SS..THydrogen-bonded Turntrans70.114.5177.4-58.494.3000115.6R165 S167 T173 H174 D211 C213 N231R165-W171 HydrophobicContact CG-CH2 4.05Å; R165-W171 HydrophobicContact CG-CZ3 3.67Å; S167-W171 VanDerWaalsContact OG-CA 3.28Å; S167-W171 WeakPolarHBondContact OG-CA 3.38Å; S167-W171 PolarHBondContact OG-N 2.79Å; W171-T173 VanDerWaalsContact C-N 3.34Å; W171-H174 HydrophobicContact CE3-CB 4.33Å; W171-H174 HydrophobicContact CZ3-CB 4.32Å; W171-D211 HydrophobicContact CZ2-CB 4.12Å; W171-C213 HydrophobicContact CH2-CB 4.33Å; W171-C213 VanDerWaalsContact CH2-SG 3.52Å; W171-N231 HydrophobicContact CZ2-CB 4.49Å; W171-N231 PolarHBondContact NE1-ND2 2.8Å
172A94.1Very high96.4Very high81 Ų8163.9 Ų63.967%0.66931%0.31SS*.SBendtrans-68.4-38.5170.200000110.9D169 R170D169-A172 HydrophobicContact CB-CB 4.39Å; D169-A172 PolarHBondContact OD1-N 2.8Å; D169-A172 VanDerWaalsContact OD1-N 3.13Å; R170-A172 VanDerWaalsContact C-N 3.29Å; R170-A172 PolarHBondContact O-N 2.83Å
173T95.7Very high96.2Very high88 Ų8869.1 Ų69.154%0.5434%0.344SS..SBendtrans-127.9155.6167.366.60000110.3S167 D169 W171S167-T173 WeakPolarHBondContact CB-O 3.4Å; S167-T173 PolarHBondContact OG-O 2.92Å; D169-T173 VanDerWaalsContact CG-N 3.26Å; D169-T173 VanDerWaalsContact CG-OG1 3.29Å; D169-T173 PolarHBondContact OD1-N 3.49Å; D169-T173 VanDerWaalsContact OD1-O 3.06Å; D169-T173 PolarHBondContact OD1-OG1 2.77Å; D169-T173 VanDerWaalsContact OD2-CB 3.31Å; D169-T173 WeakPolarHBondContact OD2-CB 3.28Å; D169-T173 WeakPolarHBondContact OD2-CG2 3.43Å; D169-T173 PolarHBondContact OD2-N 2.91Å; D169-T173 PolarHBondContact OD2-OG1 3.46Å; W171-T173 VanDerWaalsContact C-N 3.34Å
174H96.9Very high95.8Very high102 Ų10270.3 Ų70.347%0.47237%0.372SS..  trans-147.2156.817763.7-82.4000111.1R165 T166 W171R165-H174 HydrophobicContact CG-CB 4.13Å; T166-H174 CarbonylContact O-C 3.53Å; T166-H174 WeakPolarHBondContact O-CA 3.19Å; W171-H174 HydrophobicContact CE3-CB 4.33Å; W171-H174 HydrophobicContact CZ3-CB 4.32Å
175F97.2Very high95.5Very high78 Ų7871.2 Ų71.234%0.34238%0.379SS..EExtended strand (participates in β ladder)trans-142.1153.6172.561.5-86.7000109.9R165 T166 L168 L177 L197R165-F175 WeakPolarHBondContact CA-O 3.35Å; T166-F175 HydrophobicContact CG2-CE1 4.06Å; T166-F175 HydrophobicContact CG2-CE2 4.3Å; T166-F175 HydrophobicContact CG2-CZ 3.66Å; T166-F175 PolarHBondContact N-O 3.27Å; T166-F175 PolarHBondContact O-N 2.94Å; L168-F175 HydrophobicContact CG-CE1 4.47Å; F175-L177 HydrophobicContact CD2-CD2 4.05Å; F175-L177 HydrophobicContact CD2-CG 4.07Å; F175-L177 HydrophobicContact CE2-CD1 4.07Å; F175-L177 HydrophobicContact CE2-CD2 3.89Å; F175-L177 HydrophobicContact CE2-CG 3.82Å; F175-L197 HydrophobicContact CE2-CD1 3.82Å; F175-L197 HydrophobicContact CZ-CD1 3.64Å
176D97.8Very high95.2Very high55 Ų5570.8 Ų70.829%0.29439%0.385SS..EExtended strand (participates in β ladder)trans-107.5127.7-177.9-67-11.3000109.8Y163 R165 R215Y163-D176 HydrophobicContact CD1-CB 4.4Å; R165-D176 WeakPolarHBondContact CA-OD1 3.07Å; R165-D176 WeakPolarHBondContact CB-OD1 3.3Å; R165-D176 WeakPolarHBondContact CG-OD1 3.4Å; R165-D176 IonicContact CZ-OD1 3.6Å; R165-D176 IonicContact CZ-OD2 3.63Å; R165-D176 IonicContact NE-OD1 2.76Å; R165-D176 PolarHBondContact NE-OD1 2.88Å; R165-D176 IonicContact NE-OD2 3.55Å; R165-D176 IonicContact NH2-OD1 3.55Å; R165-D176 IonicContact NH2-OD2 2.83Å; R165-D176 PolarHBondContact NH2-OD2 2.78Å; D176-R215 IonicContact OD2-CZ 3.88Å; D176-R215 IonicContact OD2-NH2 3.92Å
177L97.8Very high94.8Very high42 Ų4275 Ų7522%0.2241%0.407CS..EExtended strand (participates in β ladder)trans-100.9126.5171.2-62.8175000109.3Y163 V164 F175 A179 L197Y163-L177 CarbonylContact C-O 3.58Å; Y163-L177 VanDerWaalsContact CA-O 3.23Å; Y163-L177 WeakPolarHBondContact CA-O 3.35Å; V164-L177 HydrophobicContact CB-CB 4.37Å; V164-L177 PolarHBondContact N-O 2.94Å; V164-L177 PolarHBondContact O-N 3.28Å; F175-L177 HydrophobicContact CD2-CD2 4.05Å; F175-L177 HydrophobicContact CD2-CG 4.07Å; F175-L177 HydrophobicContact CE2-CD1 4.07Å; F175-L177 HydrophobicContact CE2-CD2 3.89Å; F175-L177 HydrophobicContact CE2-CG 3.82Å; L177-A179 PolarHBondContact O-N 3.34Å; L177-L197 HydrophobicContact CD1-CB 3.83Å; L177-L197 HydrophobicContact CD1-CD1 3.93Å; L177-L197 HydrophobicContact CD1-CG 4.39Å
178L98.3Very high94.5Very high108 Ų10877.5 Ų77.557%0.56543%0.434SS*.EExtended strand (participates in β ladder)trans-73.1125.8169.7-177.565.9000109Y163Y163-L178 HydrophobicContact CD1-CB 4.36Å; Y163-L178 HydrophobicContact CD1-CD1 4.07Å; Y163-L178 HydrophobicContact CE1-CB 4.28Å; Y163-L178 HydrophobicContact CE1-CD1 3.68Å; Y163-L178 HydrophobicContact CE2-CD1 4.42Å
179A98.3Very high94.6Very high6 Ų676.9 Ų76.95%0.0543%0.433CS..EExtended strand (participates in β ladder)trans-86144.3172.400000110.2V162 L177 F193 S194 F195V162-A179 HydrophobicContact CB-CB 4.05Å; V162-A179 HydrophobicContact CG1-CB 4Å; V162-A179 WeakPolarHBondContact O-CB 3.24Å; V162-A179 PolarHBondContact O-N 2.83Å; L177-A179 PolarHBondContact O-N 3.34Å; A179-F193 HydrophobicContact CB-CB 3.97Å; A179-S194 CarbonylContact C-O 3.58Å; A179-S194 WeakPolarHBondContact CA-O 3.28Å; A179-F195 HydrophobicContact CB-CB 4.09Å
180E98.1Very high94.8Very high139 Ų13974.8 Ų74.865%0.6542%0.422SS*.EExtended strand (participates in β ladder)trans-95.5135.2-177.8-64.617817000110.1V182 F193 S194E180-V182 PolarHBondContact O-N 2.93Å; E180-F193 CarbonylContact O-C 3.52Å; E180-F193 VanDerWaalsContact O-CA 3.24Å; E180-F193 WeakPolarHBondContact O-CA 3.46Å; E180-S194 PolarHBondContact N-O 2.83Å; E180-S194 PolarHBondContact O-N 2.88Å
181Y97.8Very high95.1Very high100 Ų10065.9 Ų65.939%0.39239%0.388SS..EExtended strand (participates in β ladder)trans-61.2136.8173.1174.7-111000110.4P183 D191 F193Y181-P183 WeakPolarHBondContact O-CD 3.05Å; Y181-D191 HydrophobicContact CD2-CB 4.4Å; Y181-D191 HydrophobicContact CE2-CB 3.94Å; Y181-F193 HydrophobicContact CD2-CE1 4.39Å; Y181-F193 HydrophobicContact CD2-CE2 4.05Å; Y181-F193 AromaticContact CD2-CZ 3.95Å; Y181-F193 HydrophobicContact CD2-CZ 3.95Å; Y181-F193 HydrophobicContact CG-CZ 4.49Å
182V96.5Very high95.2Very high15 Ų1562.4 Ų62.49%0.09138%0.376CS..  trans-91.1112.4175.3-177.80000108.8W87 E180 G184 S185 S192W87-V182 HydrophobicContact CH2-CG1 3.71Å; W87-V182 HydrophobicContact CZ2-CG1 3.87Å; E180-V182 PolarHBondContact O-N 2.93Å; V182-G184 PolarHBondContact O-N 2.89Å; V182-S185 VanDerWaalsContact O-CB 3.23Å; V182-S185 WeakPolarHBondContact O-CB 3.07Å; V182-S185 PolarHBondContact O-N 2.89Å; V182-S185 PolarHBondContact O-OG 3.29Å; V182-S192 PolarHBondContact N-O 3.03Å
183P93.4Very high95.4Very high111 Ų11159 Ų5972%0.72135%0.346SS*.THydrogen-bonded Turntrans-59137.5-178.5-2435.1000112.4Y181 S185Y181-P183 WeakPolarHBondContact O-CD 3.05Å; P183-S185 PolarHBondContact O-N 2.84Å
184G91.2Very high95.5Very high79 Ų7955.9 Ų55.981%0.81433%0.328SS*.THydrogen-bonded Turntrans73.45.4178.700000115.2V182 S186V182-G184 PolarHBondContact O-N 2.89Å; G184-S186 VanDerWaalsContact C-N 3.31Å
185S90.9Very high95.5Very high20 Ų2051.3 Ų51.314%0.1431%0.307CS..  trans-82.2-7.3179.967.10000115R152 V182 P183 D187 S192R152-S185 PolarHBondContact NH1-O 2.98Å; V182-S185 VanDerWaalsContact O-CB 3.23Å; V182-S185 WeakPolarHBondContact O-CB 3.07Å; V182-S185 PolarHBondContact O-N 2.89Å; V182-S185 PolarHBondContact O-OG 3.29Å; P183-S185 PolarHBondContact O-N 2.84Å; S185-D187 PolarHBondContact O-N 3.05Å; S185-S192 WeakPolarHBondContact OG-CB 3.48Å; S185-S192 PolarHBondContact OG-N 2.94Å; S185-S192 VanDerWaalsContact OG-N 3.09Å; S185-S192 PolarHBondContact OG-O 2.8Å
186S91.1Very high95.5Very high49 Ų4953.8 Ų53.834%0.34332%0.317SS..  trans-72.9123.6-178.2-157.40000110.2G184 G188 M190 D191G184-S186 VanDerWaalsContact C-N 3.31Å; S186-G188 VanDerWaalsContact C-N 3.3Å; S186-M190 WeakPolarHBondContact CA-O 3.32Å; S186-D191 WeakPolarHBondContact CB-OD1 3.17Å; S186-D191 PolarHBondContact OG-OD1 3.27Å
187D88.7Confident95.4Very high88 Ų8851.6 Ų51.647%0.47131%0.306SS..  trans-95.311.5169.562.512.8000111.9R152 S185 V189 M190R152-D187 IonicContact NH2-OD1 3.19Å; R152-D187 IonicContact NH2-OD2 3.75Å; R152-D187 PolarHBondContact NH2-OD2 3.5Å; S185-D187 PolarHBondContact O-N 3.05Å; D187-V189 PolarHBondContact O-N 3.4Å; D187-V189 WeakPolarHBondContact OD1-CA 3.33Å; D187-V189 PolarHBondContact OD1-N 3.11Å; D187-M190 PolarHBondContact N-O 3.03Å; D187-M190 PolarHBondContact OD1-N 2.81Å; D187-M190 WeakPolarHBondContact OD2-CE 3.32Å
188G90.4Very high95.2Very high55 Ų5554 Ų5457%0.56732%0.323SS*.SBendtrans85.5-24.2-174.100000113.9S186S186-G188 VanDerWaalsContact C-N 3.3Å
189V94.1Very high94.7Very high71 Ų7149 Ų4943%0.4330%0.296SS..SBendtrans-102.6-40.7179.5-176.80000111L125 L154 N155 D187L125-V189 HydrophobicContact CD1-CG1 4.45Å; L154-V189 HydrophobicContact CD1-CG1 4Å; L154-V189 WeakPolarHBondContact CD1-O 3.46Å; N155-V189 WeakPolarHBondContact CB-O 3.43Å; N155-V189 PolarHBondContact N-O 3.3Å; D187-V189 PolarHBondContact O-N 3.4Å; D187-V189 WeakPolarHBondContact OD1-CA 3.33Å; D187-V189 PolarHBondContact OD1-N 3.11Å
190M96.3Very high93.8Very high12 Ų1251.5 Ų51.56%0.05932%0.323CS..EExtended strand (participates in β ladder)trans-131.8148.3-174.1-61.9-176.8-70.300110.9L125 V128 V153 S186 D187L125-M190 HydrophobicContact CB-CE 4.2Å; L125-M190 HydrophobicContact CD1-CE 3.56Å; L125-M190 HydrophobicContact CD1-SD 3.78Å; L125-M190 HydrophobicContact CG-CE 4.46Å; V128-M190 HydrophobicContact CB-SD 3.79Å; V128-M190 HydrophobicContact CG1-CG 3.84Å; V128-M190 HydrophobicContact CG1-SD 3.74Å; V128-M190 HydrophobicContact CG2-SD 4.03Å; V153-M190 CarbonylContact O-C 3.54Å; V153-M190 WeakPolarHBondContact O-CA 3.24Å; V153-M190 WeakPolarHBondContact O-CB 3.42Å; S186-M190 WeakPolarHBondContact CA-O 3.32Å; D187-M190 PolarHBondContact N-O 3.03Å; D187-M190 PolarHBondContact OD1-N 2.81Å; D187-M190 WeakPolarHBondContact OD2-CE 3.32Å
191D96.9Very high92.3Very high4 Ų449 Ų492%0.02132%0.318CS..EExtended strand (participates in β ladder)trans-114.9147.6173.1-70.4-47.4000110.3R152 V153 N155 K160 Y181 S186 F193R152-D191 WeakPolarHBondContact CA-O 3.49Å; V153-D191 HydrophobicContact CG2-CB 3.99Å; V153-D191 PolarHBondContact N-O 3.15Å; V153-D191 PolarHBondContact O-N 3.18Å; N155-D191 WeakPolarHBondContact CB-OD2 2.84Å; N155-D191 PolarHBondContact OD1-OD2 3.45Å; K160-D191 WeakPolarHBondContact CE-OD2 3.45Å; K160-D191 IonicContact NZ-OD2 3.92Å; K160-D191 PolarHBondContact NZ-OD2 3.25Å; Y181-D191 HydrophobicContact CD2-CB 4.4Å; Y181-D191 HydrophobicContact CE2-CB 3.94Å; S186-D191 WeakPolarHBondContact CB-OD1 3.17Å; S186-D191 PolarHBondContact OG-OD1 3.27Å; D191-F193 HydrophobicContact CB-CD2 4.48Å; D191-F193 HydrophobicContact CB-CE2 3.92Å
192S97.1Very high90.5Very high7 Ų749.9 Ų49.95%0.04934%0.336CS..EExtended strand (participates in β ladder)trans-99.4137.6171.1-60.60000111.8V151 R152 V182 S185V151-S192 WeakPolarHBondContact O-CA 3.46Å; R152-S192 WeakPolarHBondContact CD-OG 3.32Å; R152-S192 PolarHBondContact NH1-OG 3.39Å; V182-S192 PolarHBondContact N-O 3.03Å; S185-S192 WeakPolarHBondContact OG-CB 3.48Å; S185-S192 PolarHBondContact OG-N 2.94Å; S185-S192 VanDerWaalsContact OG-N 3.09Å; S185-S192 PolarHBondContact OG-O 2.8Å
193F98.3Very high89.2Confident10 Ų1049.8 Ų49.84%0.04434%0.335CS..EExtended strand (participates in β ladder)trans-121.5148170.7-72.5-103.7000109.1V150 V151 V153 K160 V162 A179 E180 Y181 D191V150-F193 CarbonylContact C-O 3.6Å; V150-F193 WeakPolarHBondContact CA-O 3.42Å; V151-F193 PolarHBondContact N-O 2.71Å; V151-F193 PolarHBondContact O-N 3.06Å; V153-F193 HydrophobicContact CG1-CD2 4.49Å; V153-F193 HydrophobicContact CG2-CD2 3.8Å; V153-F193 HydrophobicContact CG2-CE2 3.55Å; K160-F193 HydrophobicContact CD-CE2 4.23Å; K160-F193 HydrophobicContact CD-CZ 4.11Å; K160-F193 HydrophobicContact CG-CZ 4.06Å; V162-F193 HydrophobicContact CB-CB 4.22Å; V162-F193 HydrophobicContact CB-CD1 4.04Å; V162-F193 HydrophobicContact CB-CG 4.02Å; V162-F193 HydrophobicContact CG1-CB 4.44Å; V162-F193 HydrophobicContact CG2-CB 4.24Å; V162-F193 HydrophobicContact CG2-CD1 3.91Å; V162-F193 HydrophobicContact CG2-CD2 3.74Å; V162-F193 HydrophobicContact CG2-CE1 4.2Å; V162-F193 HydrophobicContact CG2-CE2 4.06Å; V162-F193 HydrophobicContact CG2-CG 3.68Å; V162-F193 HydrophobicContact CG2-CZ 4.28Å; A179-F193 HydrophobicContact CB-CB 3.97Å; E180-F193 CarbonylContact O-C 3.52Å; E180-F193 VanDerWaalsContact O-CA 3.24Å; E180-F193 WeakPolarHBondContact O-CA 3.46Å; Y181-F193 HydrophobicContact CD2-CE1 4.39Å; Y181-F193 HydrophobicContact CD2-CE2 4.05Å; Y181-F193 AromaticContact CD2-CZ 3.95Å; Y181-F193 HydrophobicContact CD2-CZ 3.95Å; Y181-F193 HydrophobicContact CG-CZ 4.49Å; D191-F193 HydrophobicContact CB-CD2 4.48Å; D191-F193 HydrophobicContact CB-CE2 3.92Å
194S98Very high87.8Confident22 Ų2246.9 Ų46.915%0.15432%0.324CS..EExtended strand (participates in β ladder)trans-126.5145.8177.176.60000111.4G149 A179 E180G149-S194 VanDerWaalsContact O-CA 3.28Å; G149-S194 WeakPolarHBondContact O-CA 3.45Å; A179-S194 CarbonylContact C-O 3.58Å; A179-S194 WeakPolarHBondContact CA-O 3.28Å; E180-S194 PolarHBondContact N-O 2.83Å; E180-S194 PolarHBondContact O-N 2.88Å
195F98Very high86.6Confident7 Ų751.1 Ų51.13%0.03133%0.329CS..EExtended strand (participates in β ladder)trans-131.8156.5175.669.2-85.3000110.1L135 I138 K148 G149 V151 V164 A179 F212L135-F195 HydrophobicContact CD1-CE1 4.3Å; I138-F195 HydrophobicContact CD1-CZ 4.04Å; K148-F195 WeakPolarHBondContact CA-O 3.23Å; G149-F195 VanDerWaalsContact CA-CE1 3.43Å; G149-F195 PolarHBondContact N-O 3.47Å; G149-F195 VanDerWaalsContact N-O 3.09Å; G149-F195 PolarHBondContact O-N 2.97Å; V151-F195 HydrophobicContact CG2-CD1 4.12Å; V151-F195 HydrophobicContact CG2-CE1 4Å; V164-F195 HydrophobicContact CB-CD2 4.38Å; V164-F195 HydrophobicContact CB-CG 4.37Å; V164-F195 HydrophobicContact CG1-CD2 4.31Å; V164-F195 HydrophobicContact CG1-CE1 4.43Å; V164-F195 HydrophobicContact CG1-CE2 4.03Å; V164-F195 HydrophobicContact CG1-CZ 4.08Å; V164-F195 HydrophobicContact CG2-CB 4.08Å; V164-F195 HydrophobicContact CG2-CD1 3.52Å; V164-F195 HydrophobicContact CG2-CD2 4.1Å; V164-F195 HydrophobicContact CG2-CE1 3.83Å; V164-F195 HydrophobicContact CG2-CE2 4.41Å; V164-F195 HydrophobicContact CG2-CG 3.64Å; V164-F195 HydrophobicContact CG2-CZ 4.27Å; A179-F195 HydrophobicContact CB-CB 4.09Å; F195-F212 HydrophobicContact CZ-CE2 4.48Å
196K97Very high85.6Confident129 Ų12958.5 Ų58.556%0.56136%0.361SS*.EExtended strand (participates in β ladder)trans-127.7128.6174.1-65.6176.5-173.1168.50109I146 L147I146-K196 HydrophobicContact CG2-CB 4.04Å; I146-K196 HydrophobicContact CG2-CG 4.38Å; L147-K196 CarbonylContact O-C 3.47Å; L147-K196 VanDerWaalsContact O-CA 3.28Å; L147-K196 WeakPolarHBondContact O-CA 3.27Å
197L95.4Very high85.3Confident9 Ų957 Ų575%0.04735%0.353CS..EExtended strand (participates in β ladder)trans-119.6119.4173.8169.266.9000108.5I146 L147 T166 F175 L177 L199 V210I146-L197 CarbonylContact C-O 3.58Å; I146-L197 WeakPolarHBondContact CA-O 3.04Å; L147-L197 HydrophobicContact CB-CB 4.23Å; L147-L197 HydrophobicContact CD2-CD2 4.12Å; L147-L197 PolarHBondContact N-O 2.84Å; L147-L197 PolarHBondContact O-N 2.65Å; T166-L197 HydrophobicContact CG2-CD2 3.79Å; F175-L197 HydrophobicContact CE2-CD1 3.82Å; F175-L197 HydrophobicContact CZ-CD1 3.64Å; L177-L197 HydrophobicContact CD1-CB 3.83Å; L177-L197 HydrophobicContact CD1-CD1 3.93Å; L177-L197 HydrophobicContact CD1-CG 4.39Å; L197-L199 HydrophobicContact CD2-CD2 3.76Å; L197-L199 HydrophobicContact CG-CD2 3.94Å; L197-V210 HydrophobicContact CD2-CG1 3.8Å
198T93.2Very high85.3Confident94 Ų9454.3 Ų54.358%0.57734%0.34SS*.EExtended strand (participates in β ladder)trans-88116.1175.4-55.70000109.2I146I146-T198 HydrophobicContact CG1-CG2 4.27Å
199L88.6Confident85.4Confident3 Ų355.7 Ų55.72%0.01633%0.328CS..  trans-85115.9173.7-56.6177000108.8T145 L168 L197 P201 F203 V208 V210 C236T145-L199 WeakPolarHBondContact CB-O 3.05Å; T145-L199 WeakPolarHBondContact O-CB 3.4Å; T145-L199 PolarHBondContact O-N 2.61Å; T145-L199 PolarHBondContact OG1-O 2.88Å; L168-L199 HydrophobicContact CD2-CD2 4.24Å; L197-L199 HydrophobicContact CD2-CD2 3.76Å; L197-L199 HydrophobicContact CG-CD2 3.94Å; L199-P201 WeakPolarHBondContact O-CD 3.31Å; L199-F203 HydrophobicContact CB-CE1 3.78Å; L199-F203 HydrophobicContact CB-CZ 3.8Å; L199-F203 HydrophobicContact CD1-CE1 4.26Å; L199-V208 HydrophobicContact CD2-CG1 4.4Å; L199-V210 HydrophobicContact CD1-CG2 3.99Å; L199-V210 HydrophobicContact CD2-CG2 3.67Å; L199-C236 HydrophobicContact CD1-CB 3.65Å
200G78.5Confident85.4Confident58 Ų5852.3 Ų52.360%0.59831%0.307SS*.PPolyproline II helixtrans-74123.1-179.800000111.6
201P66Low85.4Confident85 Ų8551.9 Ų51.955%0.55231%0.306SS*.SBendtrans-65.9155.5167.326.5-31.3000110.6L199 F203L199-P201 WeakPolarHBondContact O-CD 3.31Å; P201-F203 HydrophobicContact CB-CD2 4.26Å; P201-F203 HydrophobicContact CB-CE2 4.01Å
202P61.5Low85.4Confident120 Ų12051.8 Ų51.878%0.77931%0.305SS*.PPolyproline II helixcis-86.8136.110.931.8-33.2000114
203F69.7Low85.4Confident13 Ų1351.9 Ų51.96%0.05731%0.305CS..PPolyproline II helixtrans-75.2122.1161.7-52.8-91.3000106.7Y108 T145 L199 P201 V208 C236Y108-F203 HydrophobicContact CD1-CD2 4.18Å; Y108-F203 AromaticContact CD1-CE2 3.99Å; Y108-F203 HydrophobicContact CD1-CE2 3.99Å; Y108-F203 HydrophobicContact CD1-CZ 4.5Å; Y108-F203 AromaticContact CE1-CD2 3.46Å; Y108-F203 HydrophobicContact CE1-CD2 3.46Å; Y108-F203 VanDerWaalsContact CE1-CD2 3.46Å; Y108-F203 AromaticContact CE1-CE2 3.31Å; Y108-F203 HydrophobicContact CE1-CE2 3.31Å; Y108-F203 HydrophobicContact CE1-CG 4.43Å; Y108-F203 HydrophobicContact CE1-CZ 4.2Å; Y108-F203 AromaticContact CZ-CE2 3.91Å; T145-F203 HydrophobicContact CG2-CE2 3.38Å; T145-F203 HydrophobicContact CG2-CZ 3.43Å; T145-F203 VanDerWaalsContact CG2-CZ 3.43Å; L199-F203 HydrophobicContact CB-CE1 3.78Å; L199-F203 HydrophobicContact CB-CZ 3.8Å; L199-F203 HydrophobicContact CD1-CE1 4.26Å; P201-F203 HydrophobicContact CB-CD2 4.26Å; P201-F203 HydrophobicContact CB-CE2 4.01Å; F203-V208 HydrophobicContact CB-CG2 4.41Å; F203-V208 HydrophobicContact CD1-CB 3.64Å; F203-V208 HydrophobicContact CD1-CG2 3.24Å; F203-V208 HydrophobicContact CE1-CB 3.91Å; F203-V208 HydrophobicContact CE1-CG2 3.7Å; F203-V208 HydrophobicContact CG-CG2 4.15Å; F203-C236 HydrophobicContact CE1-CB 4.36Å
204G63.7Low85.4Confident49 Ų4951.4 Ų51.451%0.50530%0.303SS..  trans-62.2174.3169.500000111.1Q206 G207G204-Q206 PolarHBondContact O-N 2.67Å; G204-G207 PolarHBondContact O-N 3.13Å
205D66.1Low85.4Confident169 Ų16952.2 Ų52.290%0.90430%0.303SS*.THydrogen-bonded Turntrans-57.1-23.7-178.5-62.5-25.7000113.4
206Q69.9Low85.4Confident174 Ų17451.9 Ų51.981%0.81330%0.302SS*.THydrogen-bonded Turntrans-87.6-4.9177.5-58.4-160.618.100114.2G204 Q237G204-Q206 PolarHBondContact O-N 2.67Å; Q206-Q237 PolarHBondContact O-NE2 3.17Å
207G83.6Confident85.5Confident18 Ų1848.2 Ų48.219%0.18629%0.287CS..  trans82.1-169.6-17100000113.6G204 C236G204-G207 PolarHBondContact O-N 3.13Å; G207-C236 CarbonylContact C-O 3.6Å; G207-C236 WeakPolarHBondContact CA-O 3.37Å
208V89.1Confident85.6Confident31 Ų3148.6 Ų48.619%0.18829%0.289CS..EExtended strand (participates in β ladder)trans-110.6126.5172.9168.10000108.8L168 L199 F203 V210 C236L168-V208 HydrophobicContact CD2-CG1 4.19Å; L199-V208 HydrophobicContact CD2-CG1 4.4Å; F203-V208 HydrophobicContact CB-CG2 4.41Å; F203-V208 HydrophobicContact CD1-CB 3.64Å; F203-V208 HydrophobicContact CD1-CG2 3.24Å; F203-V208 HydrophobicContact CE1-CB 3.91Å; F203-V208 HydrophobicContact CE1-CG2 3.7Å; F203-V208 HydrophobicContact CG-CG2 4.15Å; V208-V210 HydrophobicContact CG1-CG2 4.07Å; V208-C236 PolarHBondContact N-O 3.09Å; V208-C236 PolarHBondContact O-N 2.96Å
209R92.2Very high85.7Confident84 Ų8448.7 Ų48.732%0.31729%0.292SS..EExtended strand (participates in β ladder)trans-86.3131.9170.5-174.3173.8-174.3-92.9-8.3109.1D211 V233 L234R209-D211 IonicContact CZ-OD1 2.75Å; R209-D211 IonicContact CZ-OD2 3.97Å; R209-D211 IonicContact NE-OD2 3.09Å; R209-D211 IonicContact NH1-OD1 3.52Å; R209-D211 PolarHBondContact NH1-OD1 2.84Å; R209-D211 IonicContact NH1-OD2 2.71Å; R209-D211 PolarHBondContact NH1-OD2 2.65Å; R209-D211 IonicContact NH2-OD1 2.67Å; R209-D211 PolarHBondContact NH2-OD1 3.43Å; R209-D211 IonicContact NH2-OD2 3.49Å; R209-V233 HydrophobicContact CG-CG1 4.1Å; R209-L234 WeakPolarHBondContact CA-O 3.47Å
210V94.3Very high86Confident0 Ų053.3 Ų53.30%032%0.32CS..EExtended strand (participates in β ladder)trans-121.6121.4176.4-172.70000108.1T166 L168 L197 L199 V208 F212 V233 L234T166-V210 HydrophobicContact CG2-CG1 3.75Å; L168-V210 HydrophobicContact CD2-CB 4.25Å; L168-V210 HydrophobicContact CD2-CG1 4.12Å; L168-V210 HydrophobicContact CD2-CG2 3.85Å; L197-V210 HydrophobicContact CD2-CG1 3.8Å; L199-V210 HydrophobicContact CD1-CG2 3.99Å; L199-V210 HydrophobicContact CD2-CG2 3.67Å; V208-V210 HydrophobicContact CG1-CG2 4.07Å; V210-F212 HydrophobicContact CG1-CD1 4.46Å; V210-V233 CarbonylContact O-C 3.51Å; V210-V233 WeakPolarHBondContact O-CA 3.26Å; V210-L234 HydrophobicContact CB-CB 4.33Å; V210-L234 PolarHBondContact N-O 2.86Å; V210-L234 PolarHBondContact O-N 3.28Å
211D95.9Very high86.9Confident4 Ų451.9 Ų51.92%0.02130%0.304CS..EExtended strand (participates in β ladder)trans-106.9134.7170.7-62.3-113.6000108.3T166 S167 W171 R209 Y232T166-D211 CarbonylContact C-O 3.59Å; T166-D211 VanDerWaalsContact CA-O 3.32Å; T166-D211 WeakPolarHBondContact CA-O 3.2Å; S167-D211 PolarHBondContact N-O 2.87Å; S167-D211 PolarHBondContact O-N 2.83Å; W171-D211 HydrophobicContact CZ2-CB 4.12Å; R209-D211 IonicContact CZ-OD1 2.75Å; R209-D211 IonicContact CZ-OD2 3.97Å; R209-D211 IonicContact NE-OD2 3.09Å; R209-D211 IonicContact NH1-OD1 3.52Å; R209-D211 PolarHBondContact NH1-OD1 2.84Å; R209-D211 IonicContact NH1-OD2 2.71Å; R209-D211 PolarHBondContact NH1-OD2 2.65Å; R209-D211 IonicContact NH2-OD1 2.67Å; R209-D211 PolarHBondContact NH2-OD1 3.43Å; R209-D211 IonicContact NH2-OD2 3.49Å; D211-Y232 CarbonylContact C-O 3.57Å; D211-Y232 WeakPolarHBondContact CA-O 3.46Å
212F97.1Very high88.4Confident1 Ų151.2 Ų51.20%0.00430%0.299CS..EExtended strand (participates in β ladder)trans-146.3159.7170.966.2-83.6000112.8F115 L135 I138 V164 R165 F195 V210 L214 Y232 L234F115-F212 HydrophobicContact CZ-CZ 4.43Å; L135-F212 HydrophobicContact CD1-CE2 4.23Å; L135-F212 HydrophobicContact CD1-CZ 4.45Å; L135-F212 HydrophobicContact CD2-CE2 3.96Å; L135-F212 HydrophobicContact CD2-CZ 3.65Å; I138-F212 HydrophobicContact CD1-CE1 3.73Å; I138-F212 HydrophobicContact CD1-CE2 4.33Å; I138-F212 HydrophobicContact CD1-CZ 3.38Å; V164-F212 HydrophobicContact CG1-CB 3.92Å; V164-F212 HydrophobicContact CG1-CD2 3.81Å; V164-F212 HydrophobicContact CG1-CG 4.11Å; R165-F212 CarbonylContact O-C 3.43Å; R165-F212 WeakPolarHBondContact O-CA 3.28Å; R165-F212 VanDerWaalsContact O-CB 3.27Å; R165-F212 WeakPolarHBondContact O-CB 3.49Å; F195-F212 HydrophobicContact CZ-CE2 4.48Å; V210-F212 HydrophobicContact CG1-CD1 4.46Å; F212-L214 HydrophobicContact CD2-CD2 4.13Å; F212-L214 HydrophobicContact CE2-CD2 4.23Å; F212-Y232 WeakPolarHBondContact CD1-O 3.41Å; F212-Y232 AromaticContact CD2-CD2 4Å; F212-Y232 HydrophobicContact CD2-CD2 4Å; F212-Y232 HydrophobicContact CD2-CG 4.16Å; F212-Y232 HydrophobicContact CE1-CG 4.42Å; F212-Y232 HydrophobicContact CE2-CD1 4.37Å; F212-Y232 AromaticContact CE2-CD2 3.75Å; F212-Y232 HydrophobicContact CE2-CD2 3.75Å; F212-Y232 AromaticContact CE2-CG 3.6Å; F212-Y232 HydrophobicContact CE2-CG 3.6Å; F212-Y232 HydrophobicContact CZ-CD1 4.34Å; F212-Y232 HydrophobicContact CZ-CD2 4.38Å; F212-Y232 AromaticContact CZ-CG 3.76Å; F212-Y232 HydrophobicContact CZ-CG 3.76Å; F212-Y232 PolarHBondContact N-O 3.25Å; F212-Y232 PolarHBondContact O-N 3.47Å; F212-L234 HydrophobicContact CD1-CD1 4.45Å; F212-L234 HydrophobicContact CE1-CD1 3.67Å; F212-L234 HydrophobicContact CE1-CG 4.12Å
213C97.3Very high90.1Very high9 Ų948.1 Ų48.16%0.06127%0.273CS..EExtended strand (participates in β ladder)trans-135.5159.8166.263.60000109.7R165 W171 W224 N226R165-C213 PolarHBondContact N-O 2.9Å; R165-C213 PolarHBondContact O-N 2.96Å; W171-C213 HydrophobicContact CH2-CB 4.33Å; W171-C213 VanDerWaalsContact CH2-SG 3.52Å; C213-W224 VanDerWaalsContact SG-CZ3 3.55Å; C213-N226 HydrophobicContact CB-CB 4.19Å
214L97.9Very high91.4Very high0 Ų052.5 Ų52.50%029%0.29CS..EExtended strand (participates in β ladder)trans-104.7134.1-175.9-52.4175.6000109.1V133 L135 V151 V164 F212 W224 A225 Y232V133-L214 HydrophobicContact CG2-CB 3.85Å; V133-L214 HydrophobicContact CG2-CD1 3.97Å; L135-L214 HydrophobicContact CB-CD1 4.1Å; V151-L214 HydrophobicContact CG1-CD1 3.88Å; V151-L214 HydrophobicContact CG2-CD1 4.05Å; V151-L214 HydrophobicContact CG2-CD2 3.8Å; V164-L214 HydrophobicContact CB-CD2 4.47Å; V164-L214 HydrophobicContact CG1-CD2 4.21Å; V164-L214 HydrophobicContact CG2-CD2 3.85Å; F212-L214 HydrophobicContact CD2-CD2 4.13Å; F212-L214 HydrophobicContact CE2-CD2 4.23Å; L214-W224 CarbonylContact O-C 3.56Å; L214-W224 VanDerWaalsContact O-CA 3.28Å; L214-W224 WeakPolarHBondContact O-CA 3.47Å; L214-A225 HydrophobicContact CB-CB 4.18Å; L214-A225 HydrophobicContact CD1-CB 4.29Å; L214-A225 PolarHBondContact N-O 2.8Å; L214-A225 PolarHBondContact O-N 3.28Å; L214-Y232 HydrophobicContact CD1-CE2 4.15Å; L214-Y232 HydrophobicContact CG-CE2 4.11Å
215R98.1Very high92.8Very high39 Ų3950.1 Ų50.115%0.14727%0.266CS..EExtended strand (participates in β ladder)trans-119.1120.4174.5-178.2-177.565.1164.9-10109V162 Y163 D176 E217 T222 W224V162-R215 CarbonylContact C-O 3.49Å; V162-R215 WeakPolarHBondContact CA-O 3.04Å; Y163-R215 PolarHBondContact N-O 3.47Å; Y163-R215 PolarHBondContact O-N 2.76Å; D176-R215 IonicContact OD2-CZ 3.88Å; D176-R215 IonicContact OD2-NH2 3.92Å; R215-E217 WeakPolarHBondContact CD-OE1 3.46Å; R215-E217 HydrophobicContact CG-CG 4.05Å; R215-E217 IonicContact CZ-OE1 3.27Å; R215-E217 IonicContact CZ-OE2 3.83Å; R215-E217 IonicContact NE-OE1 3.05Å; R215-E217 PolarHBondContact NE-OE1 2.7Å; R215-E217 IonicContact NH1-OE1 2.71Å; R215-E217 PolarHBondContact NH1-OE1 3.18Å; R215-E217 IonicContact NH1-OE2 3.97Å; R215-E217 IonicContact NH2-OE1 2.78Å; R215-T222 HydrophobicContact CG-CG2 3.6Å; R215-W224 HydrophobicContact CB-CD2 4.13Å; R215-W224 HydrophobicContact CB-CE3 3.83Å; R215-W224 HydrophobicContact CB-CH2 3.77Å; R215-W224 HydrophobicContact CB-CZ2 4.05Å; R215-W224 HydrophobicContact CB-CZ3 3.65Å; R215-W224 VanDerWaalsContact CD-CZ2 3.42Å; R215-W224 HydrophobicContact CG-CD2 4.2Å; R215-W224 HydrophobicContact CG-CE3 4.37Å; R215-W224 HydrophobicContact CG-CH2 3.89Å; R215-W224 HydrophobicContact CG-CZ2 3.68Å; R215-W224 HydrophobicContact CG-CZ3 4.22Å
216Y98.3Very high94.1Very high0 Ų044.3 Ų44.30%023%0.234CC..EExtended strand (participates in β ladder)trans-110.3110.6177.6175.4-141.2000109.8K132 V133 V153 L154 I156 K160 V162 T218 T222 F223K132-Y216 HydrophobicContact CB-CD1 4.03Å; K132-Y216 HydrophobicContact CB-CE1 4.27Å; V133-Y216 HydrophobicContact CB-CD1 4.49Å; V133-Y216 HydrophobicContact CB-CG 4.45Å; V153-Y216 HydrophobicContact CB-CD1 4.28Å; V153-Y216 HydrophobicContact CB-CD2 4.19Å; V153-Y216 HydrophobicContact CB-CE1 4.07Å; V153-Y216 HydrophobicContact CB-CE2 3.95Å; V153-Y216 HydrophobicContact CB-CG 4.35Å; V153-Y216 HydrophobicContact CG1-CD1 4.4Å; V153-Y216 HydrophobicContact CG1-CD2 3.93Å; V153-Y216 HydrophobicContact CG1-CE2 4.16Å; V153-Y216 HydrophobicContact CG1-CG 4.05Å; V153-Y216 HydrophobicContact CG2-CE2 3.97Å; L154-Y216 PolarHBondContact O-OH 2.88Å; I156-Y216 HydrophobicContact CD1-CE1 4.07Å; K160-Y216 HydrophobicContact CB-CE2 3.74Å; K160-Y216 HydrophobicContact CD-CE2 3.78Å; K160-Y216 VanDerWaalsContact CD-OH 3.32Å; K160-Y216 WeakPolarHBondContact CD-OH 3.39Å; K160-Y216 HydrophobicContact CG-CE2 4.25Å; V162-Y216 HydrophobicContact CG2-CD2 3.86Å; V162-Y216 HydrophobicContact CG2-CE2 4.4Å; Y216-T218 HydrophobicContact CD1-CG2 4.35Å; Y216-T218 HydrophobicContact CD2-CG2 4.15Å; Y216-T218 HydrophobicContact CE1-CG2 3.75Å; Y216-T218 HydrophobicContact CE2-CG2 3.54Å; Y216-T218 WeakPolarHBondContact OH-CG2 3.23Å; Y216-T222 CarbonylContact O-C 3.6Å; Y216-T222 WeakPolarHBondContact O-CA 3.39Å; Y216-F223 HydrophobicContact CD1-CB 4.28Å; Y216-F223 AromaticContact CD1-CD2 3.66Å; Y216-F223 HydrophobicContact CD1-CD2 3.66Å; Y216-F223 HydrophobicContact CD1-CE2 4.49Å; Y216-F223 HydrophobicContact CD1-CG 4.33Å; Y216-F223 HydrophobicContact CE1-CD2 4.18Å; Y216-F223 HydrophobicContact CG-CD2 4.42Å; Y216-F223 PolarHBondContact N-O 3.16Å; Y216-F223 PolarHBondContact O-N 2.64Å
217E98.3Very high95Very high53 Ų5336.7 Ų36.725%0.24820%0.199CC..EExtended strand (participates in β ladder)trans-104.4130.6-178.3-70.3-174.6161.800111.2K160 S161 Y163 R215 T222K160-E217 CarbonylContact C-O 3.58Å; K160-E217 WeakPolarHBondContact CA-O 3.4Å; S161-E217 PolarHBondContact N-O 2.81Å; S161-E217 PolarHBondContact O-N 3.19Å; Y163-E217 HydrophobicContact CE2-CG 4.44Å; Y163-E217 VanDerWaalsContact CE2-OE2 3.22Å; Y163-E217 WeakPolarHBondContact CE2-OE2 3.15Å; R215-E217 WeakPolarHBondContact CD-OE1 3.46Å; R215-E217 HydrophobicContact CG-CG 4.05Å; R215-E217 IonicContact CZ-OE1 3.27Å; R215-E217 IonicContact CZ-OE2 3.83Å; R215-E217 IonicContact NE-OE1 3.05Å; R215-E217 PolarHBondContact NE-OE1 2.7Å; R215-E217 IonicContact NH1-OE1 2.71Å; R215-E217 PolarHBondContact NH1-OE1 3.18Å; R215-E217 IonicContact NH1-OE2 3.97Å; R215-E217 IonicContact NH2-OE1 2.78Å; E217-T222 HydrophobicContact CG-CG2 3.8Å
218T97.6Very high95.2Very high16 Ų1641.5 Ų41.510%0.09822%0.22CC..EExtended strand (participates in β ladder)trans-141.2163.2177.565.90000109.4K160 Y216 V220 G221K160-T218 HydrophobicContact CB-CG2 4.03Å; Y216-T218 HydrophobicContact CD1-CG2 4.35Å; Y216-T218 HydrophobicContact CD2-CG2 4.15Å; Y216-T218 HydrophobicContact CE1-CG2 3.75Å; Y216-T218 HydrophobicContact CE2-CG2 3.54Å; Y216-T218 WeakPolarHBondContact OH-CG2 3.23Å; T218-V220 PolarHBondContact O-N 3.43Å; T218-V220 VanDerWaalsContact O-N 3.11Å; T218-V220 WeakPolarHBondContact OG1-CG2 3.08Å; T218-V220 PolarHBondContact OG1-N 2.86Å; T218-G221 PolarHBondContact N-O 2.88Å; T218-G221 PolarHBondContact O-N 2.84Å; T218-G221 VanDerWaalsContact O-O 3.12Å; T218-G221 PolarHBondContact OG1-N 3.47Å; T218-G221 PolarHBondContact OG1-O 2.91Å
219P97Very high95.1Very high97 Ų9746.4 Ų46.463%0.6325%0.246SC*.THydrogen-bonded Turntrans-57.2-23.3172.1-27.834.4000114.4N159N159-P219 HydrophobicContact CB-CG 4.43Å; N159-P219 WeakPolarHBondContact O-CD 3.17Å
220V94.9Very high95Very high100 Ų10049.5 Ų49.561%0.60626%0.258SS*.THydrogen-bonded Turntrans-86.8-14179.3-58.30000113.1I156 T218 F223I156-V220 HydrophobicContact CG2-CG2 3.72Å; T218-V220 PolarHBondContact O-N 3.43Å; T218-V220 VanDerWaalsContact O-N 3.11Å; T218-V220 WeakPolarHBondContact OG1-CG2 3.08Å; T218-V220 PolarHBondContact OG1-N 2.86Å; V220-F223 HydrophobicContact CG2-CE2 4.2Å; V220-F223 HydrophobicContact CG2-CZ 4.24Å
221G95.7Very high94.9Very high27 Ų2751.2 Ų51.228%0.27827%0.267SS..EExtended strand (participates in β ladder)trans151.4177.9179.100000114.4T218T218-G221 PolarHBondContact N-O 2.88Å; T218-G221 PolarHBondContact O-N 2.84Å; T218-G221 VanDerWaalsContact O-O 3.12Å; T218-G221 PolarHBondContact OG1-N 3.47Å; T218-G221 PolarHBondContact OG1-O 2.91Å
222T97.6Very high94.9Very high71 Ų7151.1 Ų51.144%0.43627%0.266SS..EExtended strand (participates in β ladder)trans-109.8124.9177.8-53.70000110R215 Y216 E217R215-T222 HydrophobicContact CG-CG2 3.6Å; Y216-T222 CarbonylContact O-C 3.6Å; Y216-T222 WeakPolarHBondContact O-CA 3.39Å; E217-T222 HydrophobicContact CG-CG2 3.8Å
223F97.4Very high94.8Very high55 Ų5551.2 Ų51.224%0.24127%0.266CS..EExtended strand (participates in β ladder)trans-112.6145.9179.2-50.8-83.6000109.9K132 V133 I156 Y216 V220K132-F223 HydrophobicContact CB-CB 4Å; K132-F223 HydrophobicContact CB-CD1 4.04Å; K132-F223 HydrophobicContact CB-CD2 4.07Å; K132-F223 HydrophobicContact CB-CG 3.75Å; K132-F223 HydrophobicContact CG-CB 4.46Å; K132-F223 HydrophobicContact CG-CD1 3.57Å; K132-F223 HydrophobicContact CG-CD2 4.26Å; K132-F223 HydrophobicContact CG-CE1 3.79Å; K132-F223 HydrophobicContact CG-CE2 4.44Å; K132-F223 HydrophobicContact CG-CG 3.83Å; K132-F223 HydrophobicContact CG-CZ 4.22Å; V133-F223 HydrophobicContact CG1-CB 4.42Å; I156-F223 HydrophobicContact CD1-CE2 3.96Å; I156-F223 HydrophobicContact CD1-CZ 4.21Å; Y216-F223 HydrophobicContact CD1-CB 4.28Å; Y216-F223 AromaticContact CD1-CD2 3.66Å; Y216-F223 HydrophobicContact CD1-CD2 3.66Å; Y216-F223 HydrophobicContact CD1-CE2 4.49Å; Y216-F223 HydrophobicContact CD1-CG 4.33Å; Y216-F223 HydrophobicContact CE1-CD2 4.18Å; Y216-F223 HydrophobicContact CG-CD2 4.42Å; Y216-F223 PolarHBondContact N-O 3.16Å; Y216-F223 PolarHBondContact O-N 2.64Å; V220-F223 HydrophobicContact CG2-CE2 4.2Å; V220-F223 HydrophobicContact CG2-CZ 4.24Å
224W96.8Very high94.6Very high105 Ų10550.8 Ų50.840%0.39826%0.264SS..EExtended strand (participates in β ladder)trans-125137.1-178.7-70.286.6000110.6R165 C213 L214 R215R165-W224 HydrophobicContact CB-CZ3 4.42Å; C213-W224 VanDerWaalsContact SG-CZ3 3.55Å; L214-W224 CarbonylContact O-C 3.56Å; L214-W224 VanDerWaalsContact O-CA 3.28Å; L214-W224 WeakPolarHBondContact O-CA 3.47Å; R215-W224 HydrophobicContact CB-CD2 4.13Å; R215-W224 HydrophobicContact CB-CE3 3.83Å; R215-W224 HydrophobicContact CB-CH2 3.77Å; R215-W224 HydrophobicContact CB-CZ2 4.05Å; R215-W224 HydrophobicContact CB-CZ3 3.65Å; R215-W224 VanDerWaalsContact CD-CZ2 3.42Å; R215-W224 HydrophobicContact CG-CD2 4.2Å; R215-W224 HydrophobicContact CG-CE3 4.37Å; R215-W224 HydrophobicContact CG-CH2 3.89Å; R215-W224 HydrophobicContact CG-CZ2 3.68Å; R215-W224 HydrophobicContact CG-CZ3 4.22Å
225A95Very high94.3Very high0 Ų051.5 Ų51.50%027%0.269CS..EExtended strand (participates in β ladder)trans-114.7116.3163.200000109.4V133 L214 Y232V133-A225 HydrophobicContact CG1-CB 3.82Å; V133-A225 WeakPolarHBondContact O-CB 3.3Å; L214-A225 HydrophobicContact CB-CB 4.18Å; L214-A225 HydrophobicContact CD1-CB 4.29Å; L214-A225 PolarHBondContact N-O 2.8Å; L214-A225 PolarHBondContact O-N 3.28Å; A225-Y232 HydrophobicContact CB-CE2 4.42Å
226N92.9Very high93.9Very high47 Ų4749.6 Ų49.625%0.25126%0.262SS..  trans-124.625.3-179.770.9-3.9000111.5C213 N228 N229 R230 N231C213-N226 HydrophobicContact CB-CB 4.19Å; N226-N228 PolarHBondContact O-N 2.94Å; N226-N229 PolarHBondContact ND2-OD1 2.94Å; N226-N229 PolarHBondContact O-N 3.01Å; N226-N229 PolarHBondContact OD1-N 3.25Å; N226-R230 PolarHBondContact O-N 2.76Å; N226-N231 VanDerWaalsContact O-CA 3.24Å; N226-N231 WeakPolarHBondContact O-CA 3.32Å; N226-N231 PolarHBondContact O-N 2.99Å
227N89.3Confident93.4Very high13 Ų1353.6 Ų53.67%0.0728%0.28CS..THydrogen-bonded Turntrans51.153.2178.9-176.528000112.9T114 N229 R230 N231 Y232T114-N227 PolarHBondContact O-ND2 3.43Å; N227-N229 PolarHBondContact O-N 2.75Å; N227-R230 WeakPolarHBondContact O-CB 3.44Å; N227-R230 PolarHBondContact O-N 2.97Å; N227-R230 VanDerWaalsContact O-N 3.15Å; N227-N231 PolarHBondContact ND2-O 3.41Å; N227-Y232 HydrophobicContact CB-CD1 4.18Å; N227-Y232 HydrophobicContact CB-CD2 4.39Å; N227-Y232 HydrophobicContact CB-CE1 4Å; N227-Y232 HydrophobicContact CB-CE2 4.22Å; N227-Y232 HydrophobicContact CB-CG 4.36Å
228N87.4Confident92.7Very high119 Ų11957.1 Ų57.164%0.63629%0.291SS*.THydrogen-bonded Turntrans54.749.9-177.8-59.5-31.4000113N226 R230N226-N228 PolarHBondContact O-N 2.94Å; N228-R230 PolarHBondContact O-N 2.95Å
229N87.6Confident91.5Very high135 Ų13556.9 Ų56.972%0.72229%0.292SS*.THydrogen-bonded Turntrans64.39.8-177.7-54.3-45.9000115.9N226 N227N226-N229 PolarHBondContact ND2-OD1 2.94Å; N226-N229 PolarHBondContact O-N 3.01Å; N226-N229 PolarHBondContact OD1-N 3.25Å; N227-N229 PolarHBondContact O-N 2.75Å
230R89.2Confident89.8Confident149 Ų14959.5 Ų59.556%0.56230%0.298SS*.THydrogen-bonded Turntrans-93.3-10.8175.1-62.4-175.6-66.9-154.82.4113.4T114 N226 N227 N228T114-R230 HydrophobicContact CG2-CB 4.5Å; N226-R230 PolarHBondContact O-N 2.76Å; N227-R230 WeakPolarHBondContact O-CB 3.44Å; N227-R230 PolarHBondContact O-N 2.97Å; N227-R230 VanDerWaalsContact O-N 3.15Å; N228-R230 PolarHBondContact O-N 2.95Å
231N92.8Very high87.9Confident35 Ų3562 Ų6219%0.18730%0.301CS..  trans56.6167.9-167.4-59.2-40.5000112.6T114 W171 N226 N227T114-N231 PolarHBondContact OG1-O 3.31Å; W171-N231 HydrophobicContact CZ2-CB 4.49Å; W171-N231 PolarHBondContact NE1-ND2 2.8Å; N226-N231 VanDerWaalsContact O-CA 3.24Å; N226-N231 WeakPolarHBondContact O-CA 3.32Å; N226-N231 PolarHBondContact O-N 2.99Å; N227-N231 PolarHBondContact ND2-O 3.41Å
232Y95.3Very high85.4Confident3 Ų364.1 Ų64.11%0.01232%0.322CS..EExtended strand (participates in β ladder)trans-88.8114.3169.2-59.7-87.1000107.9F115 E134 L135 D211 F212 L214 A225 N227F115-Y232 AromaticContact CD1-CD1 3.79Å; F115-Y232 HydrophobicContact CD1-CD1 3.79Å; F115-Y232 HydrophobicContact CD1-CG 4.41Å; F115-Y232 HydrophobicContact CD2-CD1 4.37Å; F115-Y232 AromaticContact CE1-CD1 3.99Å; F115-Y232 HydrophobicContact CE1-CD1 3.99Å; F115-Y232 HydrophobicContact CE1-CG 4.36Å; F115-Y232 AromaticContact CG-CD1 3.98Å; F115-Y232 HydrophobicContact CG-CD1 3.98Å; F115-Y232 HydrophobicContact CZ-CD1 4.34Å; E134-Y232 PolarHBondContact OE1-OH 3.41Å; L135-Y232 HydrophobicContact CB-CD1 4.23Å; L135-Y232 HydrophobicContact CB-CE1 3.63Å; L135-Y232 HydrophobicContact CD2-CD1 3.61Å; L135-Y232 HydrophobicContact CD2-CE1 3.88Å; L135-Y232 HydrophobicContact CD2-CG 4.25Å; L135-Y232 HydrophobicContact CG-CE1 4.44Å; D211-Y232 CarbonylContact C-O 3.57Å; D211-Y232 WeakPolarHBondContact CA-O 3.46Å; F212-Y232 WeakPolarHBondContact CD1-O 3.41Å; F212-Y232 AromaticContact CD2-CD2 4Å; F212-Y232 HydrophobicContact CD2-CD2 4Å; F212-Y232 HydrophobicContact CD2-CG 4.16Å; F212-Y232 HydrophobicContact CE1-CG 4.42Å; F212-Y232 HydrophobicContact CE2-CD1 4.37Å; F212-Y232 AromaticContact CE2-CD2 3.75Å; F212-Y232 HydrophobicContact CE2-CD2 3.75Å; F212-Y232 AromaticContact CE2-CG 3.6Å; F212-Y232 HydrophobicContact CE2-CG 3.6Å; F212-Y232 HydrophobicContact CZ-CD1 4.34Å; F212-Y232 HydrophobicContact CZ-CD2 4.38Å; F212-Y232 AromaticContact CZ-CG 3.76Å; F212-Y232 HydrophobicContact CZ-CG 3.76Å; F212-Y232 PolarHBondContact N-O 3.25Å; F212-Y232 PolarHBondContact O-N 3.47Å; L214-Y232 HydrophobicContact CD1-CE2 4.15Å; L214-Y232 HydrophobicContact CG-CE2 4.11Å; A225-Y232 HydrophobicContact CB-CE2 4.42Å; N227-Y232 HydrophobicContact CB-CD1 4.18Å; N227-Y232 HydrophobicContact CB-CD2 4.39Å; N227-Y232 HydrophobicContact CB-CE1 4Å; N227-Y232 HydrophobicContact CB-CE2 4.22Å; N227-Y232 HydrophobicContact CB-CG 4.36Å
233V94.9Very high82.5Confident2 Ų264 Ų641%0.01234%0.335CS..EExtended strand (participates in β ladder)trans-117.7128.5-177-173.70000109.2L113 T114 R209 V210L113-V233 HydrophobicContact CB-CB 4.2Å; L113-V233 HydrophobicContact CB-CG1 4.09Å; L113-V233 HydrophobicContact CD1-CG1 3.85Å; L113-V233 HydrophobicContact CG-CG1 4.33Å; L113-V233 PolarHBondContact N-O 3.14Å; T114-V233 HydrophobicContact CG2-CB 3.77Å; T114-V233 HydrophobicContact CG2-CG2 3.61Å; T114-V233 PolarHBondContact OG1-N 3.22Å; R209-V233 HydrophobicContact CG-CG1 4.1Å; V210-V233 CarbonylContact O-C 3.51Å; V210-V233 WeakPolarHBondContact O-CA 3.26Å
234L93.3Very high79.6Confident0 Ų067.9 Ų67.90%036%0.364CS..EExtended strand (participates in β ladder)trans-123150.3177.1-63.5164.7000110.3L110 P112 F115 I138 L147 R209 V210 F212L110-L234 HydrophobicContact CD1-CB 4.1Å; L110-L234 HydrophobicContact CD1-CD1 4.21Å; L110-L234 HydrophobicContact CD1-CD2 4.29Å; L110-L234 HydrophobicContact CD1-CG 4.45Å; L110-L234 HydrophobicContact CD2-CD1 4.48Å; L110-L234 HydrophobicContact CD2-CD2 4.17Å; L110-L234 HydrophobicContact CG-CD2 4.13Å; P112-L234 HydrophobicContact CB-CD2 4.05Å; P112-L234 HydrophobicContact CG-CD2 3.93Å; F115-L234 HydrophobicContact CE1-CD2 3.96Å; F115-L234 HydrophobicContact CE1-CG 4.25Å; F115-L234 HydrophobicContact CE2-CD2 4.45Å; F115-L234 HydrophobicContact CZ-CD2 3.49Å; F115-L234 VanDerWaalsContact CZ-CD2 3.49Å; F115-L234 HydrophobicContact CZ-CG 4.07Å; I138-L234 HydrophobicContact CD1-CD1 3.68Å; I138-L234 HydrophobicContact CG1-CD1 4.32Å; I138-L234 HydrophobicContact CG2-CD2 4.21Å; L147-L234 HydrophobicContact CD1-CD1 3.88Å; L147-L234 HydrophobicContact CD2-CD1 3.63Å; L147-L234 HydrophobicContact CG-CD1 4.38Å; R209-L234 WeakPolarHBondContact CA-O 3.47Å; V210-L234 HydrophobicContact CB-CB 4.33Å; V210-L234 PolarHBondContact N-O 2.86Å; V210-L234 PolarHBondContact O-N 3.28Å; F212-L234 HydrophobicContact CD1-CD1 4.45Å; F212-L234 HydrophobicContact CE1-CD1 3.67Å; F212-L234 HydrophobicContact CE1-CG 4.12Å
235S91.3Very high76.8Confident15 Ų1572 Ų7211%0.10539%0.387CS..EExtended strand (participates in β ladder)trans-113.5127.9163.3-174.60000109.2L110 S111L110-S235 WeakPolarHBondContact CA-O 3.5Å; S111-S235 PolarHBondContact N-O 2.87Å; S111-S235 PolarHBondContact O-N 3.25Å
236C89.3Confident74.1Confident0 Ų080.9 Ų80.90%043%0.426CS..EExtended strand (participates in β ladder)trans-111.3116.3172.9-178.80000109.1H109 L110 L199 F203 G207 V208H109-C236 WeakPolarHBondContact O-CA 3.39Å; L110-C236 HydrophobicContact CD1-CB 4.22Å; L199-C236 HydrophobicContact CD1-CB 3.65Å; F203-C236 HydrophobicContact CE1-CB 4.36Å; G207-C236 CarbonylContact C-O 3.6Å; G207-C236 WeakPolarHBondContact CA-O 3.37Å; V208-C236 PolarHBondContact N-O 3.09Å; V208-C236 PolarHBondContact O-N 2.96Å
237Q87.8Confident71.4Confident84 Ų8484.4 Ų84.439%0.39345%0.451SS..EExtended strand (participates in β ladder)trans-119.6147.8-176.2-71.2178.7-18.900111.2Y108 H109 Q206 G239Y108-Q237 CarbonylContact C-O 3.51Å; Y108-Q237 WeakPolarHBondContact CA-O 3.25Å; H109-Q237 PolarHBondContact N-O 2.93Å; H109-Q237 PolarHBondContact O-N 3.47Å; Q206-Q237 PolarHBondContact O-NE2 3.17Å; Q237-G239 PolarHBondContact O-N 3.4Å
238R83.6Confident68.9Low126 Ų12693.4 Ų93.448%0.47549%0.49SS..EExtended strand (participates in β ladder)trans-80.6114.5172.6-169.8173.369.3-176.30.3109.1V106 E107 Y108 M240V106-R238 HydrophobicContact CG1-CG 3.28Å; E107-R238 CarbonylContact O-C 3.59Å; Y108-R238 HydrophobicContact CD1-CB 4.37Å; Y108-R238 HydrophobicContact CD1-CG 4.49Å; Y108-R238 HydrophobicContact CE1-CB 4.22Å; Y108-R238 HydrophobicContact CE1-CG 4.1Å; R238-M240 PolarHBondContact O-N 3.36Å
239G72.6Confident66.6Low12 Ų1298.8 Ų98.812%0.12450%0.501CS..EExtended strand (participates in β ladder)trans-69.3108169.200000110.1E107 H109 Q237E107-G239 WeakPolarHBondContact O-CA 3.18Å; E107-G239 PolarHBondContact O-N 3.3Å; H109-G239 WeakPolarHBondContact NE2-CA 3.47Å; Q237-G239 PolarHBondContact O-N 3.4Å
240M61.1Low64.2Low152 Ų152100.8 Ų100.875%0.74951%0.506SS*.  trans-82.4120.7162.4-90.8146.864.200107.4R238 G242R238-M240 PolarHBondContact O-N 3.36Å; M240-G242 VanDerWaalsContact C-N 3.33Å; M240-G242 PolarHBondContact O-N 3.36Å
241K54.4Low61.9Low152 Ų152101 Ų10166%0.66152%0.519SS*.  trans-61100.8166.1-79.9-175177.4172.90107.4G243K241-G243 PolarHBondContact O-N 2.99Å; K241-G243 VanDerWaalsContact O-N 3.16Å
242G43.8Very low59.5Low71 Ų71102.7 Ų102.773%0.73254%0.537SS*.  trans-56.8119.5173.300000109.1M240 T244M240-G242 VanDerWaalsContact C-N 3.33Å; M240-G242 PolarHBondContact O-N 3.36Å; G242-T244 PolarHBondContact O-N 2.7Å
243G37.8Very low56.9Low68 Ų68110 Ų11070%0.70158%0.576SS**  trans-55.6130.4162.900000108.1K241 E245K241-G243 PolarHBondContact O-N 2.99Å; K241-G243 VanDerWaalsContact O-N 3.16Å; G243-E245 PolarHBondContact O-N 2.91Å
244T35.5Very low54.6Low138 Ų138119.1 Ų119.185%0.84762%0.616SS**  trans-58.599.7168.718.10000108.3G242 K246G242-T244 PolarHBondContact O-N 2.7Å; T244-K246 VanDerWaalsContact C-N 3.34Å; T244-K246 PolarHBondContact O-N 3.38Å
245E38.6Very low52.3Low191 Ų191128.3 Ų128.389%0.89366%0.656SS**  trans-64.1101.2161.9-70.7-163.8158.300107.3G243G243-E245 PolarHBondContact O-N 2.91Å
246K38Very low50.4Low187 Ų187133.3 Ų133.381%0.81369%0.691SS**  trans-57.6134.1166-73.9179.2176.81760107.6T244 K248T244-K246 VanDerWaalsContact C-N 3.34Å; T244-K246 PolarHBondContact O-N 3.38Å; K246-K248 PolarHBondContact O-N 3.45Å
247P35.6Very low48Very low120 Ų120138.7 Ų138.778%0.77973%0.727SS**  trans-62.5115.9173.425.1-30.8000108.4R249P247-R249 PolarHBondContact O-N 2.92Å
248K36.4Very low45.8Very low202 Ų202142.8 Ų142.888%0.87875%0.751SS**  trans-61.698.4168.8-172.8177.4-178.4-179.70106.9K246 E250K246-K248 PolarHBondContact O-N 3.45Å; K248-E250 PolarHBondContact O-N 3.14Å
249R39.3Very low43.4Very low233 Ų233149.8 Ų149.888%0.87979%0.785SS**  trans-60107.8168.9-79.1-173.4176.2-171.5-0.9107.7P247 N251P247-R249 PolarHBondContact O-N 2.92Å; R249-N251 PolarHBondContact O-N 3.03Å
250E38.6Very low42Very low177 Ų177156.7 Ų156.783%0.82782%0.818SS**  trans-66.7105.6169.9-171.6178.2132.700108.4K248 A252K248-E250 PolarHBondContact O-N 3.14Å; E250-A252 VanDerWaalsContact C-N 3.33Å; E250-A252 PolarHBondContact O-N 3.13Å
251N39Very low41Very low154 Ų154156.9 Ų156.982%0.82482%0.821SS**  trans-71.390.8169.4-95-10.7000108.7R249 N253R249-N251 PolarHBondContact O-N 3.03Å; N251-N253 PolarHBondContact O-N 2.76Å; N251-N253 VanDerWaalsContact O-N 3.11Å
252A43.3Very low40.2Very low69 Ų69157.2 Ų157.257%0.5783%0.83SS**  trans-73.895.8167.600000109.8E250 K254E250-A252 VanDerWaalsContact C-N 3.33Å; E250-A252 PolarHBondContact O-N 3.13Å; A252-K254 PolarHBondContact O-N 3.04Å; A252-K254 VanDerWaalsContact O-N 3.08Å
253N40.9Very low40Very low157 Ų157162.3 Ų162.384%0.8484%0.836SS**  trans-62.6100.3160.9-88-25.7000109.2N251 K255N251-N253 PolarHBondContact O-N 2.76Å; N251-N253 VanDerWaalsContact O-N 3.11Å; N253-K255 PolarHBondContact O-N 3.14Å
254K46.8Very low40.2Very low193 Ų193168.2 Ų168.284%0.83985%0.845SS**  trans-86.598.9166-72.4-177.2179.7177.10109.1A252 S256A252-K254 PolarHBondContact O-N 3.04Å; A252-K254 VanDerWaalsContact O-N 3.08Å; K254-S256 PolarHBondContact O-N 2.85Å
255K44.8Very low40.5Very low193 Ų193170.2 Ų170.284%0.83985%0.845SS**  trans-61.6115159.8-66.8-179.61781800107.7N253N253-K255 PolarHBondContact O-N 3.14Å
256S50.3Low40.6Very low121 Ų121168.7 Ų168.785%0.84684%0.841SS**  trans-81.8109.3168.6-178.80000108.3K254K254-S256 PolarHBondContact O-N 2.85Å
257C39.5Very low40.8Very low113 Ų113167.3 Ų167.376%0.76484%0.843SS**  trans-97.7139.9167.2-69.70000109.3
258L41.5Very low41.2Very low170 Ų170171.3 Ų171.389%0.8985%0.849SS**  trans-53.9153.9-172.6-74.878.4000115.7
259K34.6Very low41.7Very low273 Ų273168.5 Ų168.5100%1.18785%0.846SS**  -151.90109.7-157.6161.4-176.11670111.3

Retrieved 259 of 259 residues in 464.5 ms (Link to these results)