A0A087Y550_POEFO Loading...

Large ribosomal subunit protein uL1m

AlphaFold DB , UniProt , Accession A0A087Y550, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 325 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1P37Very low35.5Very low176 Ų176145.7 Ų145.7100%1.14385%0.847SS**  0103.303.818.2000111
2L39.9Very low35.3Very low158 Ų158146.8 Ų146.883%0.82785%0.847SS**  trans64.486159.9-52.7173.3000117
3T37.7Very low35.2Very low129 Ų129147.2 Ų147.279%0.79185%0.852SS**  60.4113.378.267.50000115.7
4A38.3Very low34.9Very low104 Ų104153.6 Ų153.686%0.8686%0.856SS**  -177.2109.4114.600000111.7
5D33.9Very low34.8Very low160 Ų160155.5 Ų155.586%0.85685%0.852SS**  trans-78.2172162.8-92-45000112.2
6M33.4Very low34.6Very low173 Ų173154.8 Ų154.885%0.85285%0.853SS**  trans123.697.6149.1-63.9-86.9-86.200112.3
7A34.8Very low34.6Very low77 Ų77155.4 Ų155.464%0.63685%0.853SS**  70.4105.768.100000114.8
8T36.1Very low34.6Very low135 Ų135153.4 Ų153.483%0.82885%0.852SS**  trans36131.1135.854.50000121
9C31.3Very low34.3Very low130 Ų130149.2 Ų149.288%0.87885%0.847SS**  -165.4146.7124.3-121.90000114
10T34.2Very low34.4Very low119 Ų119148.8 Ų148.873%0.7385%0.853SS**  trans-87.3158-177.848.10000111.8
11R34.3Very low34.4Very low242 Ų242149.5 Ų149.591%0.91385%0.848SS**  168137.1120.9-93.8171.5174.1165.5-1.1114.2
12N32.2Very low34.2Very low158 Ų158149.1 Ų149.185%0.84583%0.829SS**  trans-64.6146.7165.9-58-46.7000112.4
13V35Very low34.2Very low152 Ų152150.3 Ų150.392%0.92183%0.83SS**  trans-150.3144141.8-175.70000110.9
14W30.3Very low34Very low238 Ų238151.9 Ų151.990%0.90283%0.833SS**  trans-64.2156-172-98.90.5000120.2
15K33Very low33.9Very low182 Ų182155.7 Ų155.779%0.79184%0.838SS**  trans5.1134.6139.3-75.6179.7173177.70119.8
16V31.6Very low33.9Very low144 Ų144153.3 Ų153.387%0.87383%0.834SS**  trans-144.8136.5135.9176.60000110.5
17L35.5Very low34.2Very low164 Ų164150.1 Ų150.186%0.85984%0.835SS**  trans-86144.2175.3-84.4150.3000112
18S34.5Very low34.1Very low120 Ų120150.1 Ų150.184%0.83984%0.843SS**  trans162.7128.1146.1410000106.5
19G29Very low34.2Very low73 Ų73147 Ų14775%0.75384%0.837SS**  cis100.283.540.600000108.2
20C36Very low34.7Very low142 Ų142146.8 Ų146.896%0.95983%0.834SS**  trans-163.3133.3151.6-117.80000113.7
21Q33.9Very low34.8Very low163 Ų163146.2 Ų146.276%0.76284%0.835SS**  trans-78.3158.6-176-107.7174.2-11.600113.5
22K32.5Very low35Very low168 Ų168145.6 Ų145.673%0.7383%0.834SS**  trans79.2116.6143.5-72.8168.3-176.5-1760119.7
23Q39.9Very low35.2Very low183 Ų183143.2 Ų143.286%0.85583%0.83SS**  -179.399113.1-93172.4400107
24L33.5Very low35.3Very low162 Ų162140.8 Ų140.885%0.84883%0.826SS**  48.6104.693.5-70.6176.8000114.4
25L37.6Very low35.6Very low184 Ų184135.4 Ų135.496%0.96382%0.819SS**  trans-147.3131.7134.5-95.5173.3000109.5
26S33.3Very low36Very low111 Ų111131.8 Ų131.878%0.77682%0.817SS**  trans-95.2142.5-172.9165.40000109.9
27A39.7Very low36.7Very low106 Ų106133.9 Ų133.988%0.87682%0.817SS**  trans-140.1106.915300000107.6
28G32.1Very low37Very low77 Ų77130.3 Ų130.379%0.79481%0.811SS**  trans-84.1145.5-175.500000113.4
29G39.2Very low37.4Very low69 Ų69128.4 Ų128.471%0.71180%0.802SS**  trans-119147.8158.800000109.2S31G29-S31 PolarHBondContact O-N 3.41Å
30P41.4Very low38.1Very low126 Ų126130.6 Ų130.682%0.81880%0.803SS**  trans-72.8123.8-161.927.1-33.4000113.2
31S35.3Very low38.3Very low107 Ų107134.8 Ų134.875%0.74880%0.799SS**  trans-81117.2166.751.70000110.5G29 S33G29-S31 PolarHBondContact O-N 3.41Å; S31-S33 PolarHBondContact O-N 3.19Å
32Y39.5Very low38.9Very low229 Ų229133.1 Ų133.190%0.89880%0.8SS**  trans-80.1105158.6-79.7-84.6000108.7
33S36.9Very low39.5Very low107 Ų107132.1 Ų132.175%0.74880%0.802SS**  trans-80.8107.6170.452.10000110S31S31-S33 PolarHBondContact O-N 3.19Å
34A36.6Very low39.5Very low102 Ų102129.1 Ų129.184%0.84380%0.799SS**  trans-114.785.4157.400000107.8S36A34-S36 PolarHBondContact O-N 3.32Å
35V36.9Very low40.2Very low124 Ų124128.9 Ų128.975%0.75280%0.796SS**  trans-73.3102.7170.4175.30000107.2Q37V35-Q37 HydrophobicContact CG1-CG 4.41Å; V35-Q37 PolarHBondContact O-N 3.45Å
36S41.6Very low40.6Very low107 Ų107129.6 Ų129.675%0.74879%0.786SS**  trans-77.4110.9161.1-177.40000107.9A34 A38A34-S36 PolarHBondContact O-N 3.32Å; S36-A38 VanDerWaalsContact C-N 3.28Å; S36-A38 PolarHBondContact O-N 2.88Å
37Q45.9Very low41.1Very low188 Ų188130.2 Ų130.288%0.87979%0.786SS**  trans-69.886.1169.8-71.8-176.3-11.500109.2V35V35-Q37 HydrophobicContact CG1-CG 4.41Å; V35-Q37 PolarHBondContact O-N 3.45Å
38A42.2Very low41.3Very low88 Ų88134.2 Ų134.273%0.72778%0.779SS**  trans-92.297.1164.600000108.7S36S36-A38 VanDerWaalsContact C-N 3.28Å; S36-A38 PolarHBondContact O-N 2.88Å
39A43.3Very low41.6Very low80 Ų80135 Ų13566%0.66178%0.778SS**  trans-55.5142165.900000110R41A39-R41 PolarHBondContact O-N 2.66Å
40P43Very low41.8Very low119 Ų119136.3 Ų136.377%0.77378%0.783SS**  trans-65.6105.7175.526.3-31.6000109.1T42P40-T42 PolarHBondContact O-N 2.87Å
41R39.8Very low41.9Very low230 Ų230137 Ų13787%0.86878%0.784SS**  trans-70.994.9169.1-72.4-176.2174.6178.3-1.3108.2A39 L43A39-R41 PolarHBondContact O-N 2.66Å; R41-L43 PolarHBondContact O-N 3.15Å
42T45.9Very low42Very low129 Ų129143.2 Ų143.279%0.79179%0.791SS**  trans-64.998.1162.148.20000108P40 P44P40-T42 PolarHBondContact O-N 2.87Å; T42-P44 WeakPolarHBondContact O-CD 3.3Å
43L45.7Very low42.2Very low147 Ų147136.9 Ų136.977%0.7779%0.787SS**  trans-72122.7169.5-65176.2000107.9R41 I45R41-L43 PolarHBondContact O-N 3.15Å; L43-I45 PolarHBondContact O-N 3.05Å
44P39.8Very low42.1Very low120 Ų120139.9 Ų139.978%0.77979%0.793SS**  trans-66.3120.2174.726.3-31.5000109T42 R46T42-P44 WeakPolarHBondContact O-CD 3.3Å; P44-R46 PolarHBondContact O-N 3.17Å
45I47.8Very low42Very low156 Ų156144.6 Ų144.680%0.880%0.795SS**  trans-66.798.8170.3-63.6167.5000106.8L43 T47L43-I45 PolarHBondContact O-N 3.05Å; I45-T47 HydrophobicContact CG2-CG2 4.18Å; I45-T47 PolarHBondContact O-N 2.98Å; I45-T47 VanDerWaalsContact O-N 3.11Å
46R45.9Very low41.7Very low200 Ų200148.5 Ų148.576%0.75580%0.801SS**  trans-75.296.9171.5-147.5-179.4-168.1-177.84.6107.5P44 Y48P44-R46 PolarHBondContact O-N 3.17Å; R46-Y48 PolarHBondContact O-N 3.42Å; R46-Y48 VanDerWaalsContact O-N 3.11Å
47T44.3Very low41.4Very low124 Ų124150.9 Ų150.976%0.76181%0.806SS**  trans-69.7102.717150.20000108.5I45 A49I45-T47 HydrophobicContact CG2-CG2 4.18Å; I45-T47 PolarHBondContact O-N 2.98Å; I45-T47 VanDerWaalsContact O-N 3.11Å; T47-A49 PolarHBondContact O-N 3.29Å
48Y43.3Very low40.6Very low189 Ų189151.9 Ų151.974%0.74181%0.807SS**  trans-69.2113.1166.3-78.6-87000108.2R46 A50R46-Y48 PolarHBondContact O-N 3.42Å; R46-Y48 VanDerWaalsContact O-N 3.11Å; Y48-A50 PolarHBondContact O-N 2.82Å
49A39.7Very low39.9Very low94 Ų94157.3 Ų157.378%0.77781%0.814SS**PPolyproline II helixtrans-65.5116.7167.700000108.5T47 V51T47-A49 PolarHBondContact O-N 3.29Å; A49-V51 PolarHBondContact O-N 2.73Å
50A42.8Very low39.2Very low97 Ų97161.8 Ų161.880%0.80282%0.822SS**PPolyproline II helixtrans-67.8117.4172.900000109.3Y48 R52Y48-A50 PolarHBondContact O-N 2.82Å; A50-R52 PolarHBondContact O-N 2.67Å
51V44.3Very low38.4Very low140 Ų140165.2 Ų165.285%0.84883%0.827SS**PPolyproline II helixtrans-63.6118.8168.5175.50000107.7A49 A53A49-V51 PolarHBondContact O-N 2.73Å; V51-A53 PolarHBondContact O-N 3Å; V51-A53 VanDerWaalsContact O-N 3.15Å
52R37.7Very low38Very low237 Ų237159.4 Ų159.489%0.89483%0.829SS**  trans-61.2114.4171.5-78.8-178.6171.1178-2.4108.7A50 L54A50-R52 PolarHBondContact O-N 2.67Å; R52-L54 PolarHBondContact O-N 3.49Å
53A41.7Very low37.1Very low97 Ų97162.5 Ų162.580%0.80283%0.831SS**PPolyproline II helixtrans-67.4120.8171.300000109.8V51 K55V51-A53 PolarHBondContact O-N 3Å; V51-A53 VanDerWaalsContact O-N 3.15Å; A53-K55 PolarHBondContact O-N 3.22Å
54L36Very low36.2Very low169 Ų169165.1 Ų165.189%0.88584%0.836SS**PPolyproline II helixtrans-62.1124.9168.6-78.9154.5000109.2R52 K56R52-L54 PolarHBondContact O-N 3.49Å; L54-K56 PolarHBondContact O-N 3.1Å
55K33.7Very low35.9Very low202 Ų202168.8 Ų168.888%0.87884%0.843SS**PPolyproline II helixtrans-63119.9167.6-77.4-177174.1-176.80108.3A53A53-K55 PolarHBondContact O-N 3.22Å
56K31.2Very low35.3Very low205 Ų205170 Ų17089%0.89185%0.845SS**  trans-112.6115.8167.5-131.8178.7-174.5178.40107L54 K58L54-K56 PolarHBondContact O-N 3.1Å; K56-K58 PolarHBondContact O-N 3.33Å
57D34.3Very low34.7Very low157 Ų157170 Ų17084%0.8485%0.851SS**  trans-62.4126.2176.9-59-50.9000110.5
58K29.2Very low34.3Very low209 Ų209173.7 Ų173.791%0.90986%0.856SS**  trans-142121158.6-93.7-169.5174.9-173.80109.9K56K56-K58 PolarHBondContact O-N 3.33Å
59K27.4Very low34.1Very low202 Ų202173 Ų17388%0.87886%0.86SS**  trans-65.2141173.3-103.8175.2168.5-179.10111.8
60E28.9Very low34.1Very low175 Ų175178.2 Ų178.282%0.81887%0.865SS**  trans2.8124.8156-66.1169.2156.400119.9
61E27.5Very low33.8Very low190 Ų190184.6 Ų184.689%0.88887%0.868SS**  trans-139.4125.4132.2-84.3-173.3171.300109K63E61-K63 PolarHBondContact O-N 3.27Å
62A31Very low34Very low108 Ų108184 Ų18489%0.89386%0.864SS**  trans-66.7118-179.400000111.3
63K27Very low34.2Very low195 Ų195178.8 Ų178.885%0.84885%0.853SS**  trans-103.1122.5166.1-75.7-173.5177.1-176.90109.2E61 E65E61-K63 PolarHBondContact O-N 3.27Å; K63-E65 PolarHBondContact O-N 2.62Å
64K27.4Very low34.5Very low202 Ų202180.5 Ų180.588%0.87885%0.849SS**  trans-44.1127.6171.7-76172.6171.4175.90111E66K64-E66 PolarHBondContact O-N 2.61Å; K64-E66 VanDerWaalsContact O-N 3.1Å
65E33.5Very low35.4Very low197 Ų197177 Ų17792%0.92183%0.831SS**  trans-69.3101.1171.5-70.9-174.3145.700109.8K63K63-E65 PolarHBondContact O-N 2.62Å
66E35.1Very low36.6Very low180 Ų180176.1 Ų176.184%0.84183%0.827SS**  trans-70.3128.4161.5-73.1175.8168.600108.6K64 K68K64-E66 PolarHBondContact O-N 2.61Å; K64-E66 VanDerWaalsContact O-N 3.1Å; E66-K68 PolarHBondContact O-N 3.42Å
67K33Very low37.8Very low200 Ų200173.9 Ų173.987%0.8783%0.825SS**  trans-43.9111.7168.1-88.6177.9172.3176.30108.8E69K67-E69 VanDerWaalsContact C-N 3.3Å; K67-E69 PolarHBondContact O-N 2.95Å
68K35.6Very low39.4Very low202 Ų202173.7 Ų173.788%0.87881%0.812SS**  trans-62.696.4168.4-75.9177.2-179.8168.90107.7E66 K70E66-K68 PolarHBondContact O-N 3.42Å; K68-K70 PolarHBondContact O-N 3.31Å
69E40Very low41.2Very low175 Ų175169.1 Ų169.182%0.81880%0.804SS**  trans-49130.3161.5-70.7-178.5160.400107.8K67 R71K67-E69 VanDerWaalsContact C-N 3.3Å; K67-E69 PolarHBondContact O-N 2.95Å; E69-R71 VanDerWaalsContact C-N 3.31Å; E69-R71 PolarHBondContact O-N 3.43Å
70K38.8Very low43Very low204 Ų204164.7 Ų164.789%0.88779%0.785SS**  trans-56.299173.6-77.8176.8177.1173.20107.1K68 V72K68-K70 PolarHBondContact O-N 3.31Å; K70-V72 PolarHBondContact O-N 3.31Å
71R37.4Very low44.8Very low230 Ų230159.2 Ų159.287%0.86877%0.765SS**  trans-57114.3170.1-70.2-174.7-178.8-171.6-0.6106.2E69 I73E69-R71 VanDerWaalsContact C-N 3.31Å; E69-R71 PolarHBondContact O-N 3.43Å; R71-I73 PolarHBondContact O-N 3.11Å
72V47.5Very low46.6Very low127 Ų127160.6 Ų160.677%0.7777%0.768SS**  trans-62.3107.5167.71790000105.1K70 D74K70-V72 PolarHBondContact O-N 3.31Å; V72-D74 PolarHBondContact O-N 3.24Å
73I42.1Very low48.5Very low129 Ų129158.1 Ų158.166%0.66275%0.753SS**  trans-71.4111.8174.9-61.2170.8000105.4R71 D75R71-I73 PolarHBondContact O-N 3.11Å; I73-D75 VanDerWaalsContact C-N 3.29Å; I73-D75 PolarHBondContact O-N 3.06Å
74D47.2Very low50.9Low132 Ų132152.1 Ų152.171%0.70673%0.727SS**  trans-69.488.7172.9-82.7-36.4000109.2V72 K76V72-D74 PolarHBondContact O-N 3.24Å; D74-K76 PolarHBondContact O-N 2.85Å
75D55.4Low53.1Low95 Ų95146.5 Ų146.551%0.50871%0.71SS.*G310 helixtrans-73.220-178.3-88.4-25.7000113.9I73 D77I73-D75 VanDerWaalsContact C-N 3.29Å; I73-D75 PolarHBondContact O-N 3.06Å; D75-D77 VanDerWaalsContact C-N 3.32Å; D75-D77 PolarHBondContact O-N 3.12Å
76K58.4Low55.2Low185 Ų185138.2 Ų138.280%0.80468%0.675SS**G310 helixtrans-67.2-31-177.5-69.8-169-180179.30113.1D74D74-K76 PolarHBondContact O-N 2.85Å
77D58.2Low57.1Low157 Ų157134 Ų13484%0.8465%0.651SS**G310 helixtrans-101.29.5-174.2-63.6-39.1000114D75 P79D75-D77 VanDerWaalsContact C-N 3.32Å; D75-D77 PolarHBondContact O-N 3.12Å; D77-P79 WeakPolarHBondContact O-CD 3.37Å
78R67.3Low59.3Low153 Ų153129.7 Ų129.758%0.57764%0.641SS**SBendtrans-75.7121177.6-165.6176.3-168.1-175.95.6110.2K80 W87R78-K80 PolarHBondContact O-N 3.5Å; R78-W87 HydrophobicContact CG-CZ2 4.44Å; R78-W87 PolarHBondContact O-NE1 3.41Å
79P66.4Low61.7Low114 Ų114121.5 Ų121.574%0.7461%0.609SS**PPolyproline II helixtrans-58.9131.917820.8-29.8000110.3D77D77-P79 WeakPolarHBondContact O-CD 3.37Å
80K66.6Low63.7Low108 Ų108119.5 Ų119.547%0.4761%0.608SS.*PPolyproline II helixtrans-68.9141.9-178-62.8170.6-173.7173.40109.7R78 T85R78-K80 PolarHBondContact O-N 3.5Å; K80-T85 PolarHBondContact NZ-O 3.45Å
81P66.6Low65.9Low61 Ų61114.9 Ų114.940%0.39659%0.593SS.*PPolyproline II helixtrans-57.9144.4168.2-20.230.7000110.9G83 K84 W87P81-G83 PolarHBondContact O-N 3.23Å; P81-K84 HydrophobicContact CG-CD 4.38Å; P81-K84 PolarHBondContact O-N 3.08Å; P81-W87 HydrophobicContact CG-CH2 4.4Å
82F65.1Low68.2Low219 Ų219111.7 Ų111.796%0.96159%0.593SS**THydrogen-bonded Turntrans-55.1131.4-179.6-169.1-96.1000111.5
83G69.7Low70Confident55 Ų55112 Ų11257%0.56760%0.596SS**THydrogen-bonded Turntrans91.8-0.517800000116.6P81P81-G83 PolarHBondContact O-N 3.23Å
84K77.6Confident72.2Confident69 Ų69109.9 Ų109.930%0.358%0.58SS.*  trans-98.3136.4171.2-66.7-175.1-179.3176.30111.9P81 F98 A100P81-K84 HydrophobicContact CG-CD 4.38Å; P81-K84 PolarHBondContact O-N 3.08Å; K84-F98 CarbonylContact C-O 3.58Å; K84-F98 VanDerWaalsContact CA-O 3.27Å; K84-F98 WeakPolarHBondContact CA-O 3.37Å; K84-F98 WeakPolarHBondContact CB-O 3.12Å; K84-A100 HydrophobicContact CD-CB 4.42Å; K84-A100 VanDerWaalsContact NZ-CB 3.34Å
85T74.6Confident74.1Confident85 Ų85107.9 Ų107.952%0.52157%0.572SS.*SBendtrans-76.6-47.7179.6-51.70000111.1K80 F98K80-T85 PolarHBondContact NZ-O 3.45Å; T85-F98 PolarHBondContact N-O 3.14Å
86A76.1Confident75.5Confident22 Ų22109 Ų10918%0.18257%0.572CS.*BIsolated β-bridgetrans-148.6166.7177.100000112.1Y99A86-Y99 HydrophobicContact CB-CD1 4.5Å; A86-Y99 HydrophobicContact CB-CE1 4.04Å
87W76.1Confident76.8Confident92 Ų92110.5 Ų110.535%0.34857%0.573SS.*SBendtrans-73.4-43.6175.1-81.4113.4000111.9R78 P81 A100R78-W87 HydrophobicContact CG-CZ2 4.44Å; R78-W87 PolarHBondContact O-NE1 3.41Å; P81-W87 HydrophobicContact CG-CH2 4.4Å; W87-A100 HydrophobicContact CE3-CB 4.27Å; W87-A100 HydrophobicContact CZ3-CB 4.41Å
88V79.8Confident78.1Confident110 Ų110107.3 Ų107.367%0.66755%0.552SS**SBendtrans-122.3136.9178-176.20000107.8
89P84.8Confident79Confident30 Ų30102 Ų10220%0.19553%0.532CS..  trans-66.2140.5172.129.7-35.5000110.8Y94 Y99P89-Y94 HydrophobicContact CB-CD1 3.38Å; P89-Y94 HydrophobicContact CB-CD2 3.91Å; P89-Y94 HydrophobicContact CB-CE1 3.82Å; P89-Y94 HydrophobicContact CB-CE2 4.29Å; P89-Y94 HydrophobicContact CB-CG 3.43Å; P89-Y94 VanDerWaalsContact CB-CG 3.43Å; P89-Y94 HydrophobicContact CG-CD1 3.57Å; P89-Y94 HydrophobicContact CG-CD2 4.13Å; P89-Y94 HydrophobicContact CG-CE1 3.42Å; P89-Y94 VanDerWaalsContact CG-CE1 3.42Å; P89-Y94 HydrophobicContact CG-CE2 3.99Å; P89-Y94 HydrophobicContact CG-CG 3.93Å; P89-Y99 VanDerWaalsContact CA-CE1 3.45Å; P89-Y99 HydrophobicContact CB-CD1 4Å; P89-Y99 HydrophobicContact CB-CE1 3.78Å
90V83.2Confident79.8Confident133 Ų13397.7 Ų97.781%0.80651%0.506SS*.SBendtrans-81.4-38.7175.4178.80000110
91D83.8Confident80.7Confident106 Ų106100 Ų10057%0.56751%0.512SS*.SBendtrans-95.2153-178.7-52.4-47.7000111.2V93 Y94D91-V93 VanDerWaalsContact C-N 3.27Å; D91-V93 PolarHBondContact O-N 3.46Å; D91-Y94 WeakPolarHBondContact O-CD1 3.16Å
92D85.1Confident81.7Confident163 Ų163100.9 Ų100.987%0.87252%0.516SS*.SBendtrans-65.5-32.9175.5-64.6-31.7000112.2
93V87Confident82.9Confident135 Ų13594.5 Ų94.582%0.81849%0.491SS*.SBendtrans-104.7112.6178-177.10000109.2D91D91-V93 VanDerWaalsContact C-N 3.27Å; D91-V93 PolarHBondContact O-N 3.46Å
94Y87.9Confident84Confident84 Ų8494.4 Ų94.433%0.32948%0.475SS..  trans-144.6153.6-178.160.7-86.3000111.8P89 D91 K96 Y99P89-Y94 HydrophobicContact CB-CD1 3.38Å; P89-Y94 HydrophobicContact CB-CD2 3.91Å; P89-Y94 HydrophobicContact CB-CE1 3.82Å; P89-Y94 HydrophobicContact CB-CE2 4.29Å; P89-Y94 HydrophobicContact CB-CG 3.43Å; P89-Y94 VanDerWaalsContact CB-CG 3.43Å; P89-Y94 HydrophobicContact CG-CD1 3.57Å; P89-Y94 HydrophobicContact CG-CD2 4.13Å; P89-Y94 HydrophobicContact CG-CE1 3.42Å; P89-Y94 VanDerWaalsContact CG-CE1 3.42Å; P89-Y94 HydrophobicContact CG-CE2 3.99Å; P89-Y94 HydrophobicContact CG-CG 3.93Å; D91-Y94 WeakPolarHBondContact O-CD1 3.16Å; Y94-K96 HydrophobicContact CE2-CG 4.38Å; Y94-K96 PolarHBondContact O-N 3.17Å; Y94-Y99 AromaticContact CD2-CD2 3.53Å; Y94-Y99 HydrophobicContact CD2-CD2 3.53Å; Y94-Y99 AromaticContact CD2-CE2 3.96Å; Y94-Y99 HydrophobicContact CD2-CE2 3.96Å; Y94-Y99 AromaticContact CD2-CG 3.97Å; Y94-Y99 HydrophobicContact CD2-CG 3.97Å; Y94-Y99 HydrophobicContact CE2-CD2 4.36Å; Y94-Y99 HydrophobicContact CE2-CG 4.45Å; Y94-Y99 HydrophobicContact CG-CD2 4.24Å; Y94-Y99 HydrophobicContact CG-CE2 4.22Å
95V86.5Confident84.8Confident89 Ų8992.8 Ų92.854%0.53947%0.473SS..  trans-81.1107.1179.8-179.40000109.7R97 F98 Y99V95-R97 HydrophobicContact CG1-CB 4.18Å; V95-R97 PolarHBondContact O-N 3.14Å; V95-F98 HydrophobicContact CB-CD2 3.83Å; V95-F98 HydrophobicContact CB-CE2 4.18Å; V95-F98 HydrophobicContact CG1-CD2 3.94Å; V95-F98 HydrophobicContact CG1-CE2 4.01Å; V95-F98 PolarHBondContact O-N 3.02Å; V95-Y99 VanDerWaalsContact O-CD2 3.31Å; V95-Y99 WeakPolarHBondContact O-CD2 2.92Å
96K84.6Confident85.7Confident118 Ų11888.8 Ų88.851%0.51345%0.448SS..G310 helixtrans-47.8-29.7-176.8-70.6179.5-177.7170.20115.1Y94 F98 Y99 E306Y94-K96 HydrophobicContact CE2-CG 4.38Å; Y94-K96 PolarHBondContact O-N 3.17Å; K96-F98 VanDerWaalsContact C-N 3.28Å; K96-F98 PolarHBondContact O-N 3.01Å; K96-Y99 PolarHBondContact O-N 3.29Å; K96-E306 IonicContact NZ-OE1 2.69Å; K96-E306 PolarHBondContact NZ-OE1 3.4Å; K96-E306 IonicContact NZ-OE2 2.57Å; K96-E306 PolarHBondContact NZ-OE2 2.98Å
97R85.8Confident86.5Confident218 Ų21890 Ų9082%0.82346%0.458SS*.G310 helixtrans-60-33.1179-175177.8177.4-178.6-0.6113.4V95V95-R97 HydrophobicContact CG1-CB 4.18Å; V95-R97 PolarHBondContact O-N 3.14Å
98F86.1Confident87.4Confident90 Ų9089.4 Ų89.440%0.39546%0.462SS..G310 helixtrans-92-0.1-174.2-60.9-56.6000114.3K84 T85 V95 K96K84-F98 CarbonylContact C-O 3.58Å; K84-F98 VanDerWaalsContact CA-O 3.27Å; K84-F98 WeakPolarHBondContact CA-O 3.37Å; K84-F98 WeakPolarHBondContact CB-O 3.12Å; T85-F98 PolarHBondContact N-O 3.14Å; V95-F98 HydrophobicContact CB-CD2 3.83Å; V95-F98 HydrophobicContact CB-CE2 4.18Å; V95-F98 HydrophobicContact CG1-CD2 3.94Å; V95-F98 HydrophobicContact CG1-CE2 4.01Å; V95-F98 PolarHBondContact O-N 3.02Å; K96-F98 VanDerWaalsContact C-N 3.28Å; K96-F98 PolarHBondContact O-N 3.01Å
99Y85Confident88.1Confident40 Ų4084.2 Ų84.216%0.15743%0.43CS..BIsolated β-bridgetrans-122.4158.4-175.8-62.6-90.9000111A86 P89 Y94 V95 K96A86-Y99 HydrophobicContact CB-CD1 4.5Å; A86-Y99 HydrophobicContact CB-CE1 4.04Å; P89-Y99 VanDerWaalsContact CA-CE1 3.45Å; P89-Y99 HydrophobicContact CB-CD1 4Å; P89-Y99 HydrophobicContact CB-CE1 3.78Å; Y94-Y99 AromaticContact CD2-CD2 3.53Å; Y94-Y99 HydrophobicContact CD2-CD2 3.53Å; Y94-Y99 AromaticContact CD2-CE2 3.96Å; Y94-Y99 HydrophobicContact CD2-CE2 3.96Å; Y94-Y99 AromaticContact CD2-CG 3.97Å; Y94-Y99 HydrophobicContact CD2-CG 3.97Å; Y94-Y99 HydrophobicContact CE2-CD2 4.36Å; Y94-Y99 HydrophobicContact CE2-CG 4.45Å; Y94-Y99 HydrophobicContact CG-CD2 4.24Å; Y94-Y99 HydrophobicContact CG-CE2 4.22Å; V95-Y99 VanDerWaalsContact O-CD2 3.31Å; V95-Y99 WeakPolarHBondContact O-CD2 2.92Å; K96-Y99 PolarHBondContact O-N 3.29Å
100A83.4Confident88.5Confident24 Ų2482.9 Ų82.920%0.19842%0.422CS..PPolyproline II helixtrans-66.8141169.500000109.6K84 W87 V102K84-A100 HydrophobicContact CD-CB 4.42Å; K84-A100 VanDerWaalsContact NZ-CB 3.34Å; W87-A100 HydrophobicContact CE3-CB 4.27Å; W87-A100 HydrophobicContact CZ3-CB 4.41Å; A100-V102 PolarHBondContact O-N 2.92Å
101R85.4Confident89.1Confident158 Ų15879.4 Ų79.460%0.59640%0.398SS*.PPolyproline II helixtrans-64.7132.1169.6-70.9-172.5176.1-133.62108.9W309R101-W309 HydrophobicContact CB-CD2 4.41Å; R101-W309 VanDerWaalsContact CD-CE2 3.41Å; R101-W309 VanDerWaalsContact NH1-NE1 3.18Å
102V87.6Confident89.5Confident79 Ų7976.6 Ų76.648%0.47938%0.383SS..PPolyproline II helixtrans-72.6136.7175.7-174.70000108.5A100A100-V102 PolarHBondContact O-N 2.92Å
103I91.3Very high90Very high85 Ų8568.9 Ų68.944%0.43634%0.341SS..EExtended strand (participates in β ladder)trans-108.8117.4176.9-51174.6000107.2W309 R311I103-W309 WeakPolarHBondContact CA-O 3.39Å; I103-R311 HydrophobicContact CG2-CG 3.52Å
104H93Very high90.2Very high52 Ų5264.3 Ų64.324%0.24131%0.311CS..EExtended strand (participates in β ladder)trans-93.6171.1-176.5-62.3-79.2000111.9S109 I308 W309 F310 R311H104-S109 WeakPolarHBondContact CB-OG 3.12Å; H104-I308 HydrophobicContact CB-CG2 4.31Å; H104-W309 PolarHBondContact N-O 3.01Å; H104-F310 CarbonylContact O-C 3.57Å; H104-F310 VanDerWaalsContact O-CA 3.23Å; H104-F310 WeakPolarHBondContact O-CA 3.41Å; H104-R311 PolarHBondContact O-N 3.33Å
105S94.1Very high90.5Very high36 Ų3667.8 Ų67.825%0.25232%0.323SS..  trans-75.5158.516481.20000109.9A107 D108 S109S105-A107 VanDerWaalsContact C-N 3.35Å; S105-A107 PolarHBondContact O-N 3.18Å; S105-D108 WeakPolarHBondContact CB-OD2 3.12Å; S105-D108 PolarHBondContact O-N 3.3Å; S105-D108 WeakPolarHBondContact OG-CB 3.3Å; S105-D108 PolarHBondContact OG-N 3Å; S105-D108 VanDerWaalsContact OG-N 3.14Å; S105-D108 PolarHBondContact OG-OD2 2.77Å; S105-S109 WeakPolarHBondContact O-CB 3.15Å; S105-S109 PolarHBondContact O-N 3.33Å; S105-S109 PolarHBondContact O-OG 3.33Å
106A92.9Very high90.8Very high0 Ų066.4 Ų66.40%031%0.31CS..Hα-helixtrans-64.3-39.2178.600000112.5S109 I110 F273 F310 V315A106-S109 WeakPolarHBondContact O-CB 3.28Å; A106-S109 PolarHBondContact O-N 2.76Å; A106-I110 WeakPolarHBondContact O-CG1 3.4Å; A106-I110 PolarHBondContact O-N 3.05Å; A106-I110 VanDerWaalsContact O-N 3.1Å; A106-F273 HydrophobicContact CB-CD2 4.32Å; A106-F273 HydrophobicContact CB-CE2 3.97Å; A106-F310 HydrophobicContact CB-CD2 3.84Å; A106-F310 HydrophobicContact CB-CE2 4.33Å; A106-V315 HydrophobicContact CB-CG2 3.23Å
107A93.3Very high91.2Very high47 Ų4762 Ų6239%0.38829%0.291SS..Hα-helixtrans-63.7-48.1177.100000111.5S105 S109 I110 D111S105-A107 VanDerWaalsContact C-N 3.35Å; S105-A107 PolarHBondContact O-N 3.18Å; A107-S109 PolarHBondContact O-N 3.39Å; A107-I110 PolarHBondContact O-N 2.95Å; A107-I110 VanDerWaalsContact O-N 3.15Å; A107-D111 PolarHBondContact O-N 2.85Å; A107-D111 VanDerWaalsContact O-N 3.11Å
108D94.3Very high91.4Very high81 Ų8158.8 Ų58.843%0.43328%0.283SS..Hα-helixtrans-60.8-36.9177.1-59.7-34.4000111.4S105 D111 M112S105-D108 WeakPolarHBondContact CB-OD2 3.12Å; S105-D108 PolarHBondContact O-N 3.3Å; S105-D108 WeakPolarHBondContact OG-CB 3.3Å; S105-D108 PolarHBondContact OG-N 3Å; S105-D108 VanDerWaalsContact OG-N 3.14Å; S105-D108 PolarHBondContact OG-OD2 2.77Å; D108-D111 PolarHBondContact O-N 3.12Å; D108-M112 WeakPolarHBondContact O-CB 3.29Å; D108-M112 WeakPolarHBondContact O-CG 3.34Å; D108-M112 PolarHBondContact O-N 3.23Å
109S94.3Very high91.7Very high0 Ų060.3 Ų60.30%030%0.295CS..Hα-helixtrans-64.3-40.9178.6-57.70000111.7H104 S105 A106 A107 M112 L113 F310H104-S109 WeakPolarHBondContact CB-OG 3.12Å; S105-S109 WeakPolarHBondContact O-CB 3.15Å; S105-S109 PolarHBondContact O-N 3.33Å; S105-S109 PolarHBondContact O-OG 3.33Å; A106-S109 WeakPolarHBondContact O-CB 3.28Å; A106-S109 PolarHBondContact O-N 2.76Å; A107-S109 PolarHBondContact O-N 3.39Å; S109-M112 PolarHBondContact O-N 2.9Å; S109-L113 WeakPolarHBondContact O-CG 2.99Å; S109-L113 PolarHBondContact O-N 2.92Å; S109-F310 WeakPolarHBondContact OG-CB 3.41Å
110I94.5Very high91.9Very high2 Ų262.2 Ų62.21%0.0131%0.307CS..Hα-helixtrans-63.3-45.2175.9-66.2162.7000110.3A106 A107 M112 L113 K114 I272 F273 M300A106-I110 WeakPolarHBondContact O-CG1 3.4Å; A106-I110 PolarHBondContact O-N 3.05Å; A106-I110 VanDerWaalsContact O-N 3.1Å; A107-I110 PolarHBondContact O-N 2.95Å; A107-I110 VanDerWaalsContact O-N 3.15Å; I110-M112 VanDerWaalsContact C-N 3.35Å; I110-M112 PolarHBondContact O-N 2.92Å; I110-L113 PolarHBondContact O-N 2.8Å; I110-K114 PolarHBondContact O-N 2.96Å; I110-K114 VanDerWaalsContact O-N 3.09Å; I110-I272 HydrophobicContact CD1-CB 4.26Å; I110-I272 HydrophobicContact CD1-CG2 3.94Å; I110-I272 HydrophobicContact CG1-CG2 4Å; I110-I272 HydrophobicContact CG2-CB 4.27Å; I110-I272 HydrophobicContact CG2-CD1 4.01Å; I110-I272 HydrophobicContact CG2-CG2 4.25Å; I110-F273 HydrophobicContact CD1-CB 3.91Å; I110-F273 HydrophobicContact CD1-CD2 4.2Å; I110-M300 HydrophobicContact CD1-CE 4.47Å; I110-M300 HydrophobicContact CG1-CE 3.61Å; I110-M300 HydrophobicContact CG1-SD 4.27Å
111D94.4Very high92.2Very high60 Ų6070.3 Ų70.332%0.32134%0.339SS..Hα-helixtrans-66.7-37.5179.4-73.4-13.2000112.2A107 D108 K114 R115 S269A107-D111 PolarHBondContact O-N 2.85Å; A107-D111 VanDerWaalsContact O-N 3.11Å; D108-D111 PolarHBondContact O-N 3.12Å; D111-K114 PolarHBondContact O-N 3.08Å; D111-R115 VanDerWaalsContact O-CG 3.26Å; D111-R115 WeakPolarHBondContact O-CG 3.3Å; D111-R115 PolarHBondContact O-N 3.13Å; D111-S269 PolarHBondContact OD1-OG 2.92Å; D111-S269 VanDerWaalsContact OD1-OG 3.09Å
112M94Very high92.5Very high48 Ų4864.1 Ų64.124%0.23632%0.319CS..Hα-helixtrans-61.8-46172.7-75.5-179.8-171.600111.7D108 S109 I110 K114 R115 F116 I308D108-M112 WeakPolarHBondContact O-CB 3.29Å; D108-M112 WeakPolarHBondContact O-CG 3.34Å; D108-M112 PolarHBondContact O-N 3.23Å; S109-M112 PolarHBondContact O-N 2.9Å; I110-M112 VanDerWaalsContact C-N 3.35Å; I110-M112 PolarHBondContact O-N 2.92Å; M112-K114 VanDerWaalsContact C-N 3.31Å; M112-K114 PolarHBondContact O-N 3.49Å; M112-R115 WeakPolarHBondContact O-CB 3.47Å; M112-R115 PolarHBondContact O-N 3.24Å; M112-R115 VanDerWaalsContact O-N 3.11Å; M112-F116 HydrophobicContact CB-CE2 4.22Å; M112-F116 HydrophobicContact CB-CZ 4.22Å; M112-F116 WeakPolarHBondContact O-CD2 3.36Å; M112-F116 WeakPolarHBondContact O-CG 3.33Å; M112-F116 PolarHBondContact O-N 2.87Å; M112-I308 HydrophobicContact CB-CD1 3.54Å; M112-I308 HydrophobicContact SD-CD1 4.39Å
113L93.9Very high92.6Very high1 Ų164.2 Ų64.21%0.00532%0.321CS..Hα-helixtrans-60.3-40.6177.9-71.9173.7000112.1S109 I110 F116 Q117 V128 L265 M300 I308S109-L113 WeakPolarHBondContact O-CG 2.99Å; S109-L113 PolarHBondContact O-N 2.92Å; I110-L113 PolarHBondContact O-N 2.8Å; L113-F116 HydrophobicContact CD2-CD2 4.4Å; L113-F116 PolarHBondContact O-N 3.43Å; L113-Q117 PolarHBondContact O-N 3.36Å; L113-V128 HydrophobicContact CD1-CG1 4.06Å; L113-L265 HydrophobicContact CB-CD2 3.97Å; L113-M300 HydrophobicContact CD1-CB 3.85Å; L113-M300 HydrophobicContact CD1-CE 4.12Å; L113-I308 HydrophobicContact CD2-CD1 3.87Å; L113-I308 HydrophobicContact CD2-CG1 4.27Å; L113-I308 HydrophobicContact CG-CD1 3.84Å
114K92.9Very high92.4Very high39 Ų3962.1 Ų62.117%0.1732%0.316CS..Hα-helixtrans-65.8-37.4174.4-72.4-178.3171.9-174.60112.9I110 D111 M112 K118 L265 M267 S269I110-K114 PolarHBondContact O-N 2.96Å; I110-K114 VanDerWaalsContact O-N 3.09Å; D111-K114 PolarHBondContact O-N 3.08Å; M112-K114 VanDerWaalsContact C-N 3.31Å; M112-K114 PolarHBondContact O-N 3.49Å; K114-K118 WeakPolarHBondContact O-CG 3.44Å; K114-K118 PolarHBondContact O-N 3.03Å; K114-L265 WeakPolarHBondContact CE-O 3.28Å; K114-L265 HydrophobicContact CG-CD2 4.14Å; K114-M267 VanDerWaalsContact CE-O 3.25Å; K114-M267 WeakPolarHBondContact CE-O 3.13Å; K114-M267 PolarHBondContact NZ-O 2.69Å; K114-S269 PolarHBondContact NZ-OG 2.96Å
115R93Very high92.3Very high156 Ų15664.9 Ų64.959%0.58933%0.333SS*.Hα-helixtrans-66.1-43.1174.1-71.3171.2-168.2173.16.6111.1D111 M112 Q117 K118 L119D111-R115 VanDerWaalsContact O-CG 3.26Å; D111-R115 WeakPolarHBondContact O-CG 3.3Å; D111-R115 PolarHBondContact O-N 3.13Å; M112-R115 WeakPolarHBondContact O-CB 3.47Å; M112-R115 PolarHBondContact O-N 3.24Å; M112-R115 VanDerWaalsContact O-N 3.11Å; R115-Q117 PolarHBondContact O-N 2.99Å; R115-K118 PolarHBondContact O-N 2.98Å; R115-L119 WeakPolarHBondContact O-CG 3.33Å; R115-L119 PolarHBondContact O-N 3.4Å
116F92.8Very high92.2Very high60 Ų6063.4 Ų63.426%0.26332%0.322SS..Hα-helixtrans-59.6-46.4177-63.2-22.7000111.3M112 L113 K118 L119 D120 I308M112-F116 HydrophobicContact CB-CE2 4.22Å; M112-F116 HydrophobicContact CB-CZ 4.22Å; M112-F116 WeakPolarHBondContact O-CD2 3.36Å; M112-F116 WeakPolarHBondContact O-CG 3.33Å; M112-F116 PolarHBondContact O-N 2.87Å; L113-F116 HydrophobicContact CD2-CD2 4.4Å; L113-F116 PolarHBondContact O-N 3.43Å; F116-K118 VanDerWaalsContact C-N 3.27Å; F116-K118 PolarHBondContact O-N 3.29Å; F116-L119 PolarHBondContact O-N 3.09Å; F116-D120 VanDerWaalsContact O-CB 3.32Å; F116-D120 WeakPolarHBondContact O-CB 3.32Å; F116-D120 PolarHBondContact O-N 3.46Å; F116-I308 HydrophobicContact CD2-CD1 4.2Å; F116-I308 HydrophobicContact CE2-CD1 3.57Å; F116-I308 HydrophobicContact CE2-CG1 4.03Å; F116-I308 HydrophobicContact CZ-CD1 4.43Å
117Q92.6Very high92.2Very high25 Ų2564.1 Ų64.112%0.11733%0.326CS..Hα-helixtrans-55.7-40.3176.3176.2-99.9-29.900113.3L113 R115 F121 T122 A124 L265L113-Q117 PolarHBondContact O-N 3.36Å; R115-Q117 PolarHBondContact O-N 2.99Å; Q117-F121 PolarHBondContact O-N 3.13Å; Q117-T122 PolarHBondContact NE2-O 3.39Å; Q117-T122 PolarHBondContact O-N 3.38Å; Q117-T122 VanDerWaalsContact O-N 3.17Å; Q117-T122 PolarHBondContact O-OG1 3.44Å; Q117-A124 VanDerWaalsContact NE2-CA 3.3Å; Q117-L265 HydrophobicContact CB-CD1 3.61Å; Q117-L265 HydrophobicContact CG-CD1 3.88Å
118K91Very high92.3Very high151 Ų15161.9 Ų61.966%0.65731%0.308SS*.Hα-helixtrans-67.9-42.3174.5-68.2177.5-178.6-177.40113.1K114 R115 F116 D120 F121K114-K118 WeakPolarHBondContact O-CG 3.44Å; K114-K118 PolarHBondContact O-N 3.03Å; R115-K118 PolarHBondContact O-N 2.98Å; F116-K118 VanDerWaalsContact C-N 3.27Å; F116-K118 PolarHBondContact O-N 3.29Å; K118-D120 VanDerWaalsContact C-N 3.35Å; K118-F121 PolarHBondContact O-N 3.44Å
119L91.7Very high92.3Very high122 Ų12260.5 Ų60.564%0.63930%0.297SS*.Hα-helixtrans-69.5-34.8180-69.4172000112.1R115 F116 F121R115-L119 WeakPolarHBondContact O-CG 3.33Å; R115-L119 PolarHBondContact O-N 3.4Å; F116-L119 PolarHBondContact O-N 3.09Å; L119-F121 VanDerWaalsContact O-CD2 3.29Å; L119-F121 WeakPolarHBondContact O-CD2 3.21Å; L119-F121 WeakPolarHBondContact O-CE2 3.49Å; L119-F121 PolarHBondContact O-N 3.37Å
120D89.3Confident92.4Very high80 Ų8060.6 Ų60.643%0.42830%0.298SS..THydrogen-bonded Turntrans-81.9-3.5-179.8-62.5-23.4000112.2F116 K118 T122F116-D120 VanDerWaalsContact O-CB 3.32Å; F116-D120 WeakPolarHBondContact O-CB 3.32Å; F116-D120 PolarHBondContact O-N 3.46Å; K118-D120 VanDerWaalsContact C-N 3.35Å; D120-T122 HydrophobicContact CB-CG2 3.82Å; D120-T122 PolarHBondContact O-N 3.16Å
121F90.4Very high92.4Very high194 Ų19462.4 Ų62.485%0.85131%0.307SS*.THydrogen-bonded Turntrans5239.9-175.6-61.2-86.3000113.3Q117 K118 L119Q117-F121 PolarHBondContact O-N 3.13Å; K118-F121 PolarHBondContact O-N 3.44Å; L119-F121 VanDerWaalsContact O-CD2 3.29Å; L119-F121 WeakPolarHBondContact O-CD2 3.21Å; L119-F121 WeakPolarHBondContact O-CE2 3.49Å; L119-F121 PolarHBondContact O-N 3.37Å
122T91.6Very high92.4Very high29 Ų2959.6 Ų59.618%0.17829%0.292CS..  trans-99.2160.5-176.756.30000112.2Q117 D120 Q126 T304Q117-T122 PolarHBondContact NE2-O 3.39Å; Q117-T122 PolarHBondContact O-N 3.38Å; Q117-T122 VanDerWaalsContact O-N 3.17Å; Q117-T122 PolarHBondContact O-OG1 3.44Å; D120-T122 HydrophobicContact CB-CG2 3.82Å; D120-T122 PolarHBondContact O-N 3.16Å; T122-Q126 PolarHBondContact OG1-NE2 3Å; T122-T304 HydrophobicContact CG2-CG2 3.94Å
123P90.5Very high92.3Very high81 Ų8160.5 Ų60.553%0.52630%0.295SS..  trans-66.6150.3-174.931.6-39.4000111.7D125 Q126P123-D125 VanDerWaalsContact C-N 3.32Å; P123-D125 VanDerWaalsContact CB-OD1 3.29Å; P123-D125 WeakPolarHBondContact CB-OD1 3.42Å; P123-D125 PolarHBondContact O-N 3.21Å; P123-Q126 HydrophobicContact CG-CG 4.38Å; P123-Q126 WeakPolarHBondContact O-CG 3.49Å
124A87.1Confident92.2Very high41 Ų4160.6 Ų60.634%0.33930%0.295SS..THydrogen-bonded Turntrans-73.5-23-173.300000113.5Q117 Q126 L265 D266Q117-A124 VanDerWaalsContact NE2-CA 3.3Å; A124-Q126 PolarHBondContact O-N 3Å; A124-Q126 VanDerWaalsContact O-N 3.16Å; A124-L265 CarbonylContact O-C 3.55Å; A124-L265 WeakPolarHBondContact O-CB 3.29Å; A124-D266 PolarHBondContact O-N 2.96Å
125D90Very high91.9Very high110 Ų11060.6 Ų60.659%0.58830%0.297SS*.THydrogen-bonded Turntrans-79.613.1-178.666-22000113.9P123P123-D125 VanDerWaalsContact C-N 3.32Å; P123-D125 VanDerWaalsContact CB-OD1 3.29Å; P123-D125 WeakPolarHBondContact CB-OD1 3.42Å; P123-D125 PolarHBondContact O-N 3.21Å
126Q91.6Very high91.4Very high5 Ų553.8 Ų53.82%0.02327%0.272CS..PPolyproline II helixtrans-59.1135.9-180-86-176.7-3.700112.9T122 P123 A124 T264 L265 S302 T304T122-Q126 PolarHBondContact OG1-NE2 3Å; P123-Q126 HydrophobicContact CG-CG 4.38Å; P123-Q126 WeakPolarHBondContact O-CG 3.49Å; A124-Q126 PolarHBondContact O-N 3Å; A124-Q126 VanDerWaalsContact O-N 3.16Å; Q126-T264 CarbonylContact O-C 3.38Å; Q126-T264 VanDerWaalsContact O-CA 3.25Å; Q126-T264 WeakPolarHBondContact O-CA 3.47Å; Q126-L265 HydrophobicContact CB-CD1 3.92Å; Q126-L265 HydrophobicContact CB-CG 4.31Å; Q126-L265 PolarHBondContact O-N 3.35Å; Q126-S302 PolarHBondContact OE1-OG 3.11Å; Q126-T304 PolarHBondContact NE2-OG1 3.28Å; Q126-T304 PolarHBondContact OE1-OG1 3.25Å
127P93.4Very high90.7Very high14 Ų1458.8 Ų58.89%0.09129%0.294CS..EExtended strand (participates in β ladder)trans-76.1135.6177.631.4-34.6000111.4Y129 Q261 Q303P127-Y129 HydrophobicContact CB-CE2 4.05Å; P127-Y129 HydrophobicContact CG-CE2 3.72Å; P127-Q261 HydrophobicContact CB-CG 3.94Å; P127-Q303 HydrophobicContact CG-CG 3.69Å
128V94.6Very high89.7Confident1 Ų160.2 Ų60.21%0.00630%0.302CS..EExtended strand (participates in β ladder)trans-94123.3172.4-176.50000109L113 Q261 I262 A263 L265 M300L113-V128 HydrophobicContact CD1-CG1 4.06Å; V128-Q261 WeakPolarHBondContact O-CA 3.32Å; V128-I262 HydrophobicContact CB-CD1 4.41Å; V128-I262 HydrophobicContact CB-CG1 4.01Å; V128-I262 HydrophobicContact CG1-CD1 3.8Å; V128-I262 HydrophobicContact CG1-CG1 3.87Å; V128-I262 WeakPolarHBondContact O-CG1 3.45Å; V128-I262 PolarHBondContact O-N 3.2Å; V128-A263 PolarHBondContact N-O 2.65Å; V128-L265 HydrophobicContact CG2-CD2 3.34Å; V128-L265 HydrophobicContact CG2-CG 3.66Å; V128-M300 HydrophobicContact CG1-CE 4.01Å
129Y95Very high88.6Confident52 Ų5261.9 Ų61.920%0.20431%0.312CS..EExtended strand (participates in β ladder)trans-104.4146.3175.4-61.1-78.4000111.1P127 T260 Q261 M300 S301 Q303P127-Y129 HydrophobicContact CB-CE2 4.05Å; P127-Y129 HydrophobicContact CG-CE2 3.72Å; Y129-T260 WeakPolarHBondContact CA-O 3.29Å; Y129-Q261 HydrophobicContact CD1-CB 3.93Å; Y129-Q261 HydrophobicContact CE1-CB 3.8Å; Y129-Q261 HydrophobicContact CE1-CG 4.32Å; Y129-M300 WeakPolarHBondContact O-CA 3.37Å; Y129-S301 PolarHBondContact N-O 2.84Å; Y129-S301 PolarHBondContact O-N 3.47Å; Y129-Q303 HydrophobicContact CE2-CG 4.06Å
130I95.3Very high87.3Confident2 Ų264 Ų641%0.0132%0.316CS..EExtended strand (participates in β ladder)trans-114.2132.2165.6-57.8-179.2000108.5L132 R259 T260 I262 L276 I299 M300 F310I130-L132 HydrophobicContact CG2-CD1 4.46Å; I130-L132 HydrophobicContact CG2-CD2 3.43Å; I130-L132 VanDerWaalsContact CG2-CD2 3.43Å; I130-L132 HydrophobicContact CG2-CG 3.68Å; I130-R259 WeakPolarHBondContact O-CA 3.43Å; I130-T260 PolarHBondContact N-O 3.06Å; I130-T260 PolarHBondContact O-N 3.39Å; I130-I262 HydrophobicContact CB-CG2 4.26Å; I130-I262 HydrophobicContact CD1-CB 4.24Å; I130-I262 HydrophobicContact CD1-CD1 3.61Å; I130-I262 HydrophobicContact CD1-CG1 4.22Å; I130-I262 HydrophobicContact CD1-CG2 3.35Å; I130-I262 HydrophobicContact CG1-CB 4.42Å; I130-I262 HydrophobicContact CG1-CD1 3.68Å; I130-I262 HydrophobicContact CG1-CG1 4.07Å; I130-I262 HydrophobicContact CG1-CG2 3.56Å; I130-L276 HydrophobicContact CD1-CB 4.19Å; I130-L276 HydrophobicContact CD1-CD1 3.46Å; I130-L276 VanDerWaalsContact CD1-CD1 3.46Å; I130-L276 HydrophobicContact CD1-CG 3.44Å; I130-L276 VanDerWaalsContact CD1-CG 3.44Å; I130-L276 HydrophobicContact CG1-CD1 4.32Å; I130-I299 WeakPolarHBondContact CA-O 3.37Å; I130-M300 HydrophobicContact CG1-CG 4.48Å; I130-F310 HydrophobicContact CG2-CE1 4.37Å; I130-F310 HydrophobicContact CG2-CZ 4.32Å
131D94.6Very high86Confident39 Ų3970.8 Ų70.821%0.20934%0.342CS..EExtended strand (participates in β ladder)trans-110.8111168.5-60-31.6000109.2V258 R259 I299D131-V258 CarbonylContact C-O 3.33Å; D131-V258 WeakPolarHBondContact CA-O 3.21Å; D131-R259 WeakPolarHBondContact OD1-CB 3.47Å; D131-R259 WeakPolarHBondContact OD1-CD 3.47Å; D131-R259 WeakPolarHBondContact OD1-CG 3.44Å; D131-R259 IonicContact OD1-NE 2.67Å; D131-I299 HydrophobicContact CB-CB 4.24Å; D131-I299 PolarHBondContact N-O 2.99Å; D131-I299 PolarHBondContact O-N 2.86Å
132L94.4Very high84.9Confident2 Ų268.9 Ų68.91%0.0133%0.333CS..EExtended strand (participates in β ladder)trans-104.1130.9175-54.2176.8000109.4I130 L134 F257 V258 L280 V283 V295 R297 A298I130-L132 HydrophobicContact CG2-CD1 4.46Å; I130-L132 HydrophobicContact CG2-CD2 3.43Å; I130-L132 VanDerWaalsContact CG2-CD2 3.43Å; I130-L132 HydrophobicContact CG2-CG 3.68Å; L132-L134 HydrophobicContact CB-CD2 4.23Å; L132-F257 CarbonylContact O-C 3.48Å; L132-F257 VanDerWaalsContact O-CA 3.27Å; L132-F257 WeakPolarHBondContact O-CA 3.24Å; L132-V258 HydrophobicContact CB-CB 4.3Å; L132-V258 PolarHBondContact N-O 3.25Å; L132-V258 PolarHBondContact O-N 2.73Å; L132-L280 HydrophobicContact CD1-CD2 3.67Å; L132-L280 HydrophobicContact CD2-CD2 3.9Å; L132-L280 HydrophobicContact CG-CD2 4.45Å; L132-V283 HydrophobicContact CD1-CG1 4.44Å; L132-V283 HydrophobicContact CD1-CG2 4.25Å; L132-V295 HydrophobicContact CB-CG1 4.43Å; L132-V295 HydrophobicContact CD2-CG1 4.16Å; L132-R297 CarbonylContact C-O 3.51Å; L132-R297 WeakPolarHBondContact CA-O 3.5Å; L132-A298 HydrophobicContact CD2-CB 3.58Å
133K93.1Very high83.9Confident66 Ų6675.3 Ų75.329%0.28736%0.359SS..EExtended strand (participates in β ladder)trans-96.3121.9166.3-164.5178.4179.8-145.70108.5F257 E296 R297K133-F257 HydrophobicContact CB-CD1 3.89Å; K133-F257 HydrophobicContact CB-CE1 3.57Å; K133-F257 HydrophobicContact CD-CE1 3.7Å; K133-F257 HydrophobicContact CD-CZ 3.93Å; K133-F257 HydrophobicContact CG-CD1 3.96Å; K133-F257 HydrophobicContact CG-CE1 3.41Å; K133-F257 VanDerWaalsContact CG-CE1 3.41Å; K133-F257 HydrophobicContact CG-CZ 3.97Å; K133-E296 HydrophobicContact CB-CB 4.37Å; K133-E296 VanDerWaalsContact CD-OE2 3.28Å; K133-E296 WeakPolarHBondContact CD-OE2 3.28Å; K133-E296 WeakPolarHBondContact CE-OE2 3.41Å; K133-E296 HydrophobicContact CG-CB 4.44Å; K133-E296 IonicContact NZ-OE2 2.97Å; K133-E296 PolarHBondContact NZ-OE2 3.34Å; K133-E296 PolarHBondContact O-N 3.3Å; K133-R297 HydrophobicContact CB-CB 3.85Å; K133-R297 PolarHBondContact N-O 3.32Å; K133-R297 PolarHBondContact O-N 2.87Å
134L90.9Very high83Confident4 Ų472.9 Ų72.92%0.02134%0.343CS..EExtended strand (participates in β ladder)trans-104.5141.8-176.5-57.1-178000111.9L132 M136 V252 C256 V258 V283 F294 V295L132-L134 HydrophobicContact CB-CD2 4.23Å; L134-M136 HydrophobicContact CB-CG 4.25Å; L134-M136 PolarHBondContact O-N 3.2Å; L134-V252 HydrophobicContact CD1-CG2 4.05Å; L134-C256 PolarHBondContact N-O 3.32Å; L134-C256 VanDerWaalsContact O-CB 3.3Å; L134-C256 WeakPolarHBondContact O-CB 3.37Å; L134-V258 HydrophobicContact CD1-CG2 3.56Å; L134-V258 HydrophobicContact CG-CG2 4.25Å; L134-V283 HydrophobicContact CD1-CG1 4.25Å; L134-V283 HydrophobicContact CD2-CG1 3.7Å; L134-F294 WeakPolarHBondContact CA-O 3.49Å; L134-F294 HydrophobicContact CB-CE2 4.01Å; L134-F294 HydrophobicContact CB-CZ 4.05Å; L134-F294 HydrophobicContact CD1-CE1 3.87Å; L134-F294 HydrophobicContact CD1-CZ 3.73Å; L134-F294 HydrophobicContact CD2-CD1 4.14Å; L134-F294 HydrophobicContact CD2-CE1 4Å; L134-F294 HydrophobicContact CD2-CZ 4.3Å; L134-F294 HydrophobicContact CG-CE1 4.38Å; L134-F294 HydrophobicContact CG-CZ 4.25Å; L134-V295 HydrophobicContact CD2-CG2 3.93Å
135D87.1Confident82.7Confident39 Ų3975.7 Ų75.721%0.20935%0.352CS..  trans-86.291.8171.8-76.5-5.4000110K137 R287 F294 E296D135-K137 VanDerWaalsContact C-N 3.29Å; D135-R287 VanDerWaalsContact CB-NH1 3.27Å; D135-R287 PolarHBondContact O-NH1 3.15Å; D135-F294 PolarHBondContact N-O 2.79Å; D135-F294 WeakPolarHBondContact O-CD2 3.46Å; D135-F294 WeakPolarHBondContact O-CE2 3.46Å; D135-E296 VanDerWaalsContact CG-CG 3.47Å; D135-E296 VanDerWaalsContact OD1-CB 3.25Å; D135-E296 WeakPolarHBondContact OD1-CB 3.32Å; D135-E296 WeakPolarHBondContact OD1-CG 3.27Å; D135-E296 WeakPolarHBondContact OD2-CG 3.46Å
136M81.7Confident82.4Confident12 Ų1274.9 Ų74.96%0.05935%0.353CS..  trans-87.91.8178.5-58.7-171.481.400113.4L134 K143 V144 P146 V252 C256L134-M136 HydrophobicContact CB-CG 4.25Å; L134-M136 PolarHBondContact O-N 3.2Å; M136-K143 WeakPolarHBondContact O-CA 3.36Å; M136-V144 HydrophobicContact CB-CB 4.28Å; M136-V144 HydrophobicContact CE-CB 4.05Å; M136-V144 HydrophobicContact CE-CG1 4.13Å; M136-V144 WeakPolarHBondContact CE-O 3.2Å; M136-V144 PolarHBondContact O-N 2.76Å; M136-P146 HydrophobicContact CE-CB 4.39Å; M136-V252 HydrophobicContact CE-CG1 4.13Å; M136-V252 HydrophobicContact SD-CG1 3.59Å; M136-V252 VanDerWaalsContact SD-CG1 3.59Å; M136-C256 HydrophobicContact CG-CB 3.91Å; M136-C256 HydrophobicContact SD-CB 3.79Å
137K78.8Confident82.2Confident165 Ų16576.3 Ų76.372%0.71736%0.359SS*.BIsolated β-bridgetrans-78.9127.1178-62.3176.9-173.9167.40109.4D135D135-K137 VanDerWaalsContact C-N 3.29Å
138L72.5Confident82Confident55 Ų5576.7 Ų76.729%0.28836%0.361SS..  trans-99.8154.6168.3-53.7170.8000109.4K140 K142 V144 L291L138-K140 CarbonylContact C-O 3.55Å; L138-K140 CarbonylContact O-C 3.6Å; L138-K140 PolarHBondContact O-N 3.5Å; L138-K142 VanDerWaalsContact CB-O 3.23Å; L138-K142 WeakPolarHBondContact CB-O 3.37Å; L138-K142 HydrophobicContact CD1-CB 4.05Å; L138-K142 PolarHBondContact N-O 3.28Å; L138-V144 HydrophobicContact CD1-CG2 4.19Å; L138-V144 HydrophobicContact CD2-CG2 3.76Å; L138-V144 HydrophobicContact CG-CG2 4.01Å; L138-L291 HydrophobicContact CD2-CD1 3.43Å; L138-L291 VanDerWaalsContact CD2-CD1 3.43Å
139E67.6Low81.7Confident187 Ų18776.7 Ų76.787%0.87436%0.361SS*.SBendtrans-58.1-32-178.4-63.2-177.2161.500113
140K64.1Low81.5Confident167 Ų16776 Ų7673%0.72636%0.362SS*.SBendtrans-91.2138.5167.5-59.5179.4-176.7177.70106.2L138 K142L138-K140 CarbonylContact C-O 3.55Å; L138-K140 CarbonylContact O-C 3.6Å; L138-K140 PolarHBondContact O-N 3.5Å; K140-K142 WeakPolarHBondContact O-CA 3.49Å; K140-K142 PolarHBondContact O-N 2.85Å; K140-K142 VanDerWaalsContact O-O 3.05Å
141K62.2Low81.4Confident221 Ų22176.6 Ų76.696%0.96137%0.366SS*.SBendtrans-42.2-2.5-178.4-64.6-179.1178.2178.70118.2
142K67.3Low81.2Confident155 Ų15579.9 Ų79.967%0.67438%0.38SS*.PPolyproline II helixtrans-62.7137.5164.2-58.9-173.3176.9-172.60110.1L138 K140L138-K142 VanDerWaalsContact CB-O 3.23Å; L138-K142 WeakPolarHBondContact CB-O 3.37Å; L138-K142 HydrophobicContact CD1-CB 4.05Å; L138-K142 PolarHBondContact N-O 3.28Å; K140-K142 WeakPolarHBondContact O-CA 3.49Å; K140-K142 PolarHBondContact O-N 2.85Å; K140-K142 VanDerWaalsContact O-O 3.05Å
143K70.1Confident81.1Confident163 Ų16380.3 Ų80.371%0.70938%0.382SS*.BIsolated β-bridgetrans-102.9151.9169.5-65.4179.7179.7-179.20108M136 D145M136-K143 WeakPolarHBondContact O-CA 3.36Å; K143-D145 PolarHBondContact O-N 3.08Å
144V72.3Confident81.1Confident31 Ų3180.1 Ų80.119%0.18839%0.387CS..PPolyproline II helixtrans-64.1132.6163.8-179.20000107.1M136 L138M136-V144 HydrophobicContact CB-CB 4.28Å; M136-V144 HydrophobicContact CE-CB 4.05Å; M136-V144 HydrophobicContact CE-CG1 4.13Å; M136-V144 WeakPolarHBondContact CE-O 3.2Å; M136-V144 PolarHBondContact O-N 2.76Å; L138-V144 HydrophobicContact CD1-CG2 4.19Å; L138-V144 HydrophobicContact CD2-CG2 3.76Å; L138-V144 HydrophobicContact CG-CG2 4.01Å
145D79.7Confident81.2Confident99 Ų9982.8 Ų82.853%0.52940%0.4SS..PPolyproline II helixtrans-64.7138.2175.4-73.7-20000109.2K143 F147 K229K143-D145 PolarHBondContact O-N 3.08Å; D145-F147 PolarHBondContact O-N 3.4Å; D145-K229 IonicContact OD2-NZ 3Å; D145-K229 PolarHBondContact OD2-NZ 3.1Å
146P84.4Confident81.2Confident94 Ų9485.9 Ų85.961%0.6142%0.422SS*.PPolyproline II helixtrans-59.3127.1170.325.8-32.9000108.8M136 V252M136-P146 HydrophobicContact CE-CB 4.39Å; P146-V252 HydrophobicContact CB-CB 4.31Å
147F86.1Confident81.6Confident34 Ų3486.8 Ų86.815%0.14943%0.425CS..  trans-115.7163.5-176.965.3-91.7000110.8D145 Y250 V252 R286 F294D145-F147 PolarHBondContact O-N 3.4Å; F147-Y250 AromaticContact CE2-CE2 3.77Å; F147-Y250 HydrophobicContact CE2-CE2 3.77Å; F147-Y250 HydrophobicContact CZ-CE2 4.4Å; F147-V252 HydrophobicContact CD1-CG2 3.9Å; F147-V252 HydrophobicContact CD2-CG2 4.42Å; F147-V252 HydrophobicContact CE1-CG2 3.71Å; F147-V252 HydrophobicContact CE2-CG2 4.25Å; F147-V252 HydrophobicContact CG-CG2 4.25Å; F147-V252 HydrophobicContact CZ-CG2 3.9Å; F147-V252 PolarHBondContact O-N 3.43Å; F147-R286 HydrophobicContact CD2-CG 4.25Å; F147-R286 HydrophobicContact CE1-CB 3.98Å; F147-R286 HydrophobicContact CE1-CG 4.24Å; F147-R286 HydrophobicContact CE2-CB 4.3Å; F147-R286 HydrophobicContact CE2-CG 3.65Å; F147-R286 HydrophobicContact CZ-CB 3.81Å; F147-R286 HydrophobicContact CZ-CG 3.65Å; F147-F294 HydrophobicContact CE1-CZ 4.24Å
148V89.2Confident81.6Confident22 Ų2284.3 Ų84.313%0.13342%0.415CS..EExtended strand (participates in β ladder)trans-127.6125.9171.8-1770000106R230 E249 Y250 Q251V148-R230 HydrophobicContact CB-CG 4.46Å; V148-E249 HydrophobicContact CG1-CG 3.61Å; V148-E249 WeakPolarHBondContact CG1-OE1 3.48Å; V148-Y250 WeakPolarHBondContact CA-O 3.2Å; V148-Q251 HydrophobicContact CB-CB 4.35Å; V148-Q251 HydrophobicContact CG1-CB 4.15Å; V148-Q251 HydrophobicContact CG2-CB 3.66Å
149S89.4Confident81.8Confident2 Ų288.6 Ų88.61%0.01444%0.443CS..EExtended strand (participates in β ladder)trans-120.5154.5-174.9-167.50000109.5E249 Y250 D282 R286S149-E249 WeakPolarHBondContact O-CA 3.34Å; S149-Y250 VanDerWaalsContact CB-CZ 3.47Å; S149-Y250 WeakPolarHBondContact CB-OH 3.44Å; S149-Y250 PolarHBondContact N-O 2.8Å; S149-Y250 PolarHBondContact O-N 3.32Å; S149-D282 WeakPolarHBondContact CB-OD2 3.49Å; S149-D282 PolarHBondContact OG-OD2 3.41Å; S149-R286 PolarHBondContact OG-NH2 3.23Å
150T91.4Very high82.5Confident36 Ų3687.6 Ų87.622%0.22144%0.439CS..EExtended strand (participates in β ladder)trans-126.3126173.1-530000107.8F244 H248T150-F244 HydrophobicContact CG2-CD1 3.93Å; T150-F244 HydrophobicContact CG2-CE1 4.06Å; T150-H248 WeakPolarHBondContact CA-O 3.49Å
151V91.8Very high83.5Confident16 Ų1685.8 Ų85.810%0.09743%0.434CS..EExtended strand (participates in β ladder)trans-124.3138.9-176.1177.40000109.2L153 H248 Y250 D282V151-L153 PolarHBondContact O-N 3.45Å; V151-H248 PolarHBondContact N-O 3.48Å; V151-H248 WeakPolarHBondContact O-CB 3.29Å; V151-H248 PolarHBondContact O-N 3.32Å; V151-Y250 HydrophobicContact CG2-CD1 4.42Å; V151-Y250 HydrophobicContact CG2-CE1 3.7Å; V151-D282 HydrophobicContact CG1-CB 4.47Å; V151-D282 HydrophobicContact CG2-CB 3.42Å; V151-D282 VanDerWaalsContact CG2-CB 3.42Å; V151-D282 WeakPolarHBondContact CG2-OD2 3.45Å
152H91.7Very high84.9Confident108 Ų10876.6 Ų76.650%0.540%0.396SS..EExtended strand (participates in β ladder)trans-78.5120.2169.3-175.871.7000109.3T246H152-T246 PolarHBondContact CE1-OG1 3.06Å; H152-T246 PolarHBondContact ND1-OG1 3.33Å
153L91.6Very high86.2Confident10 Ų1074.9 Ų74.95%0.05239%0.388CS..  trans-83132.6175.2-65.2177.3000109.5V151 H155 F157 H248 N275 I279V151-L153 PolarHBondContact O-N 3.45Å; L153-H155 PolarHBondContact O-N 3.09Å; L153-F157 HydrophobicContact CD1-CD1 4.09Å; L153-F157 HydrophobicContact CD1-CE1 3.58Å; L153-H248 HydrophobicContact CD1-CB 3.69Å; L153-H248 HydrophobicContact CD2-CB 4.48Å; L153-H248 HydrophobicContact CG-CB 3.76Å; L153-N275 HydrophobicContact CD2-CB 4.35Å; L153-I279 HydrophobicContact CD2-CD1 3.87Å; L153-I279 HydrophobicContact CD2-CG1 3.8Å
154P92.3Very high87.3Confident62 Ų6267.4 Ų67.440%0.40336%0.356SS..SBendtrans-63.4-32.1179.724.4-32.4000112.2A274 N275 A278P154-A274 HydrophobicContact CG-CB 4.21Å; P154-N275 VanDerWaalsContact CD-OD1 3.28Å; P154-N275 WeakPolarHBondContact CD-OD1 3.42Å; P154-N275 WeakPolarHBondContact CG-OD1 3.31Å; P154-A278 HydrophobicContact CG-CB 4.46Å
155H93Very high88.4Confident61 Ų6165.9 Ų65.928%0.28235%0.347SS..SBendtrans-119.2104.7176.2-55.7-65.4000110.3L153 M267 Q271 N275L153-H155 PolarHBondContact O-N 3.09Å; H155-M267 HydrophobicContact CB-CE 3.67Å; H155-Q271 HydrophobicContact CB-CB 4.1Å; H155-Q271 HydrophobicContact CB-CG 4.4Å; H155-N275 WeakPolarHBondContact CB-OD1 3.23Å; H155-N275 PolarHBondContact N-OD1 3.03Å; H155-N275 PolarHBondContact O-ND2 2.73Å; H155-N275 PolarHBondContact O-OD1 2.92Å
156P88.9Confident89.2Confident103 Ų10361.2 Ų61.267%0.66932%0.322SS*.  trans-69.5137.617728.7-33.4000110.2
157F88.3Confident89.7Confident31 Ų3156.7 Ų56.714%0.13629%0.293CS..  trans-113.1-12175.463.6-97.3000113L153 H248 Q261 I262 M267L153-F157 HydrophobicContact CD1-CD1 4.09Å; L153-F157 HydrophobicContact CD1-CE1 3.58Å; F157-H248 AromaticContact CZ-CE1 3.92Å; F157-H248 AromaticContact CZ-ND1 3.99Å; F157-Q261 HydrophobicContact CE2-CG 3.88Å; F157-Q261 HydrophobicContact CZ-CB 4.22Å; F157-Q261 HydrophobicContact CZ-CG 3.8Å; F157-I262 VanDerWaalsContact CD1-O 3.31Å; F157-I262 WeakPolarHBondContact CD1-O 3.49Å; F157-I262 VanDerWaalsContact CE1-C 3.45Å; F157-I262 WeakPolarHBondContact CE1-O 3.36Å; F157-M267 HydrophobicContact CB-CE 4.49Å; F157-M267 HydrophobicContact CB-SD 3.63Å
158K80.8Confident90.1Very high114 Ų11455.2 Ų55.250%0.49629%0.287SS..  trans-91127.5173.6-64-173.5180-178.30108.7E160K158-E160 VanDerWaalsContact C-N 3.32Å
159T75.1Confident90.2Very high145 Ų14558.8 Ų58.889%0.8930%0.302SS*.SBendtrans-71.2-32174.8-44.80000111.5
160E82.7Confident90.3Very high165 Ų16562.4 Ų62.477%0.77132%0.321SS*.SBendtrans-85.9132.1179.6-63.3-175.7-174.300111.6K158K158-E160 VanDerWaalsContact C-N 3.32Å
161M86.3Confident90.1Very high130 Ų13065.5 Ų65.564%0.6434%0.344SS*.PPolyproline II helixtrans-77.8146.2171.4-61.1-176-131.600110.2K163 K245M161-K163 PolarHBondContact O-N 3.04Å; M161-K245 HydrophobicContact CB-CG 4.37Å; M161-K245 HydrophobicContact SD-CD 4.41Å; M161-K245 WeakPolarHBondContact SD-CE 3.42Å; M161-K245 HydrophobicContact SD-CG 4.37Å
162N91Very high90Very high27 Ų2767 Ų6714%0.14436%0.362CS..PPolyproline II helixtrans-67.3136.2179.6-56.4-39.3000110.6V164 D202 F203 F244 K245 G247N162-V164 PolarHBondContact O-N 2.94Å; N162-D202 HydrophobicContact CB-CB 4.23Å; N162-F203 HydrophobicContact CB-CD2 3.81Å; N162-F203 HydrophobicContact CB-CE2 3.81Å; N162-F203 WeakPolarHBondContact ND2-CE2 3.4Å; N162-F244 WeakPolarHBondContact CB-O 3.39Å; N162-F244 PolarHBondContact ND2-O 2.97Å; N162-K245 PolarHBondContact N-O 2.8Å; N162-G247 PolarHBondContact ND2-O 3.26Å
163K93.2Very high89.9Confident119 Ų11964.4 Ų64.452%0.51735%0.351SS..  trans-80.3115.4174.3-65177.7-173.8173.80109.1M161 A183 D202 F203M161-K163 PolarHBondContact O-N 3.04Å; K163-A183 HydrophobicContact CB-CB 4.29Å; K163-D202 PolarHBondContact N-OD2 2.86Å; K163-D202 PolarHBondContact O-N 2.83Å; K163-F203 PolarHBondContact O-N 2.93Å
164V94.6Very high89.8Confident6 Ų664.8 Ų64.84%0.03636%0.355CS..EExtended strand (participates in β ladder)trans-105.3127178.5-168.60000110.1N162 A183 F203 V205 L241 F244N162-V164 PolarHBondContact O-N 2.94Å; V164-A183 PolarHBondContact O-N 2.94Å; V164-F203 WeakPolarHBondContact CA-O 3.44Å; V164-F203 HydrophobicContact CG1-CB 4.21Å; V164-F203 HydrophobicContact CG2-CB 4.3Å; V164-V205 HydrophobicContact CG1-CG2 3.77Å; V164-L241 HydrophobicContact CB-CD2 3.9Å; V164-L241 HydrophobicContact CG1-CD2 3.63Å; V164-F244 HydrophobicContact CG1-CB 4.49Å; V164-F244 HydrophobicContact CG2-CB 3.96Å
165L95.7Very high89.8Confident0 Ų065.4 Ų65.40%036%0.358CS..EExtended strand (participates in β ladder)trans-105.4133.3173.4-172.8153.4000109.8F167 F184 L190 I194 I199 A201 F203 Y204 V205L165-F167 HydrophobicContact CD2-CD1 4.03Å; L165-F167 HydrophobicContact CD2-CD2 3.84Å; L165-F167 HydrophobicContact CD2-CE1 3.78Å; L165-F167 HydrophobicContact CD2-CE2 3.59Å; L165-F167 HydrophobicContact CD2-CG 4.07Å; L165-F167 HydrophobicContact CD2-CZ 3.56Å; L165-F184 WeakPolarHBondContact CA-O 3.02Å; L165-F184 HydrophobicContact CB-CB 4.34Å; L165-F184 HydrophobicContact CD1-CB 3.74Å; L165-F184 HydrophobicContact CD1-CD2 4.36Å; L165-F184 HydrophobicContact CD1-CG 4.34Å; L165-F184 HydrophobicContact CG-CB 3.78Å; L165-L190 HydrophobicContact CD1-CD1 4.29Å; L165-L190 HydrophobicContact CD2-CD1 4.12Å; L165-L190 HydrophobicContact CG-CD1 4.33Å; L165-I194 HydrophobicContact CD1-CD1 3.9Å; L165-I194 HydrophobicContact CD2-CD1 4.47Å; L165-I199 HydrophobicContact CD1-CG2 3.9Å; L165-A201 HydrophobicContact CB-CB 3.67Å; L165-F203 PolarHBondContact N-O 2.91Å; L165-Y204 HydrophobicContact CB-CD1 4.13Å; L165-Y204 HydrophobicContact CB-CE1 4.38Å; L165-Y204 HydrophobicContact CD1-CD1 4.48Å; L165-Y204 HydrophobicContact CD1-CE1 4.19Å; L165-Y204 HydrophobicContact CD2-CD1 4.08Å; L165-Y204 HydrophobicContact CG-CD1 4.46Å; L165-Y204 WeakPolarHBondContact O-CA 3.09Å; L165-V205 PolarHBondContact O-N 3.34Å
166V95.9Very high89.7Confident0 Ų066.8 Ų66.80%036%0.363CS..EExtended strand (participates in β ladder)trans-113.8126.2-179.4-175.70000110.8T168 A177 A182 F184 V185 G186 V205 I237 L241V166-T168 HydrophobicContact CG1-CG2 3.67Å; V166-A177 HydrophobicContact CB-CB 4.29Å; V166-A177 HydrophobicContact CG1-CB 4.25Å; V166-A177 HydrophobicContact CG2-CB 4.27Å; V166-A182 HydrophobicContact CG2-CB 3.92Å; V166-F184 PolarHBondContact N-O 2.97Å; V166-V185 HydrophobicContact CB-CG2 4.36Å; V166-V185 WeakPolarHBondContact O-CA 3.04Å; V166-G186 PolarHBondContact O-N 3.08Å; V166-V205 CarbonylContact C-O 3.52Å; V166-V205 WeakPolarHBondContact CA-O 3.27Å; V166-V205 HydrophobicContact CG2-CB 4.39Å; V166-I237 HydrophobicContact CG1-CD1 4.31Å; V166-I237 HydrophobicContact CG1-CG2 3.97Å; V166-I237 HydrophobicContact CG2-CG2 4.15Å; V166-L241 HydrophobicContact CG2-CD2 3.74Å; V166-L241 HydrophobicContact CG2-CG 4.37Å
167F95.4Very high89.8Confident0 Ų061.9 Ų61.90%033%0.332CS..EExtended strand (participates in β ladder)trans-95.1111.4171.9-68-72.9000111.2L165 G186 L190 I194 Y204 V205 A206 V207 M210 I214 L217L165-F167 HydrophobicContact CD2-CD1 4.03Å; L165-F167 HydrophobicContact CD2-CD2 3.84Å; L165-F167 HydrophobicContact CD2-CE1 3.78Å; L165-F167 HydrophobicContact CD2-CE2 3.59Å; L165-F167 HydrophobicContact CD2-CG 4.07Å; L165-F167 HydrophobicContact CD2-CZ 3.56Å; F167-G186 VanDerWaalsContact CA-O 3.29Å; F167-G186 WeakPolarHBondContact CA-O 3.33Å; F167-L190 HydrophobicContact CE1-CB 4.04Å; F167-I194 HydrophobicContact CE1-CD1 3.99Å; F167-I194 HydrophobicContact CZ-CD1 3.51Å; F167-Y204 AromaticContact CE2-CD1 3.78Å; F167-Y204 HydrophobicContact CE2-CD1 3.78Å; F167-Y204 HydrophobicContact CE2-CG 4.48Å; F167-Y204 HydrophobicContact CZ-CD1 4.25Å; F167-V205 PolarHBondContact N-O 3.23Å; F167-A206 HydrophobicContact CB-CB 4Å; F167-A206 HydrophobicContact CD2-CB 4.36Å; F167-V207 PolarHBondContact O-N 3.16Å; F167-V207 VanDerWaalsContact O-N 3.13Å; F167-M210 HydrophobicContact CB-CB 4.24Å; F167-M210 HydrophobicContact CB-CG 4.43Å; F167-I214 HydrophobicContact CB-CG2 4.48Å; F167-I214 HydrophobicContact CD1-CG2 4.01Å; F167-I214 HydrophobicContact CD2-CG2 4.22Å; F167-I214 HydrophobicContact CE1-CG2 4.2Å; F167-I214 HydrophobicContact CE2-CG2 4.39Å; F167-I214 HydrophobicContact CG-CG2 4Å; F167-I214 HydrophobicContact CZ-CG2 4.38Å; F167-L217 HydrophobicContact CE1-CD1 4.35Å; F167-L217 HydrophobicContact CE2-CD1 4.46Å; F167-L217 HydrophobicContact CZ-CD1 3.72Å
168T94Very high90Very high3 Ų366.7 Ų66.72%0.01835%0.352CS..  trans-146.9135.9-18051.40000109.5V166 Q173 G186 G187 V207 I237V166-T168 HydrophobicContact CG1-CG2 3.67Å; T168-Q173 HydrophobicContact CG2-CB 4Å; T168-G186 PolarHBondContact N-O 3.48Å; T168-G186 CarbonylContact O-C 3.49Å; T168-G187 PolarHBondContact O-N 2.86Å; T168-V207 HydrophobicContact CG2-CG2 3.49Å; T168-V207 VanDerWaalsContact CG2-CG2 3.49Å; T168-I237 HydrophobicContact CG2-CD1 3.55Å
169E90.9Very high90.5Very high96 Ų9668.5 Ų68.545%0.44936%0.363SS..  trans-92.8-24.7168.2-93.6168.3-171.400113.1S171 M210 K213E169-S171 PolarHBondContact O-N 2.88Å; E169-M210 HydrophobicContact CB-SD 3.73Å; E169-M210 HydrophobicContact CG-CE 3.92Å; E169-M210 HydrophobicContact CG-SD 3.32Å; E169-M210 WeakPolarHBondContact CG-SD 3.06Å; E169-K213 WeakPolarHBondContact OE1-CD 3.38Å; E169-K213 WeakPolarHBondContact OE1-CE 3.21Å; E169-K213 IonicContact OE1-NZ 2.61Å; E169-K213 PolarHBondContact OE1-NZ 2.67Å; E169-K213 IonicContact OE2-NZ 2.62Å; E169-K213 PolarHBondContact OE2-NZ 3.21Å
170D91.7Very high91.1Very high79 Ų7964.1 Ų64.142%0.42233%0.334SS..  trans-69.6119.5178.4-62.9-32.5000110.9G172 Q173 A174D170-G172 VanDerWaalsContact C-N 3.29Å; D170-G172 PolarHBondContact O-N 3.11Å; D170-Q173 HydrophobicContact CB-CB 4.03Å; D170-Q173 HydrophobicContact CB-CG 3.93Å; D170-Q173 PolarHBondContact O-N 3Å; D170-Q173 PolarHBondContact OD2-NE2 2.89Å; D170-Q173 VanDerWaalsContact OD2-NE2 3.08Å; D170-A174 WeakPolarHBondContact O-CB 3.35Å; D170-A174 PolarHBondContact O-N 2.77Å
171S88.1Confident91.3Very high100 Ų10058.3 Ų58.370%0.69932%0.318SS*.Hα-helixtrans-59.2-38.5-17957.50000112.8E169 A174 T175E169-S171 PolarHBondContact O-N 2.88Å; S171-A174 WeakPolarHBondContact O-CB 3.49Å; S171-A174 PolarHBondContact O-N 3.26Å; S171-T175 PolarHBondContact O-N 2.82Å; S171-T175 PolarHBondContact O-OG1 2.92Å
172G89.2Confident91.6Very high47 Ų4752.8 Ų52.849%0.48529%0.293SS..Hα-helixtrans-68.8-35.5177.800000113.8D170 A174 T175 F176D170-G172 VanDerWaalsContact C-N 3.29Å; D170-G172 PolarHBondContact O-N 3.11Å; G172-A174 VanDerWaalsContact C-N 3.34Å; G172-T175 PolarHBondContact O-OG1 3.11Å; G172-F176 WeakPolarHBondContact O-CB 3.35Å; G172-F176 PolarHBondContact O-N 3.43Å
173Q89.2Confident91.7Very high54 Ų5453.9 Ų53.925%0.25231%0.306SS..Hα-helixtrans-72.3-33.9173.2-66.9-176.314.800111.1T168 D170 F176 A177 I237T168-Q173 HydrophobicContact CG2-CB 4Å; D170-Q173 HydrophobicContact CB-CB 4.03Å; D170-Q173 HydrophobicContact CB-CG 3.93Å; D170-Q173 PolarHBondContact O-N 3Å; D170-Q173 PolarHBondContact OD2-NE2 2.89Å; D170-Q173 VanDerWaalsContact OD2-NE2 3.08Å; Q173-F176 PolarHBondContact O-N 3.44Å; Q173-A177 WeakPolarHBondContact O-CB 3.28Å; Q173-A177 PolarHBondContact O-N 3.45Å; Q173-I237 HydrophobicContact CB-CD1 3.78Å; Q173-I237 HydrophobicContact CG-CD1 4.29Å
174A90.1Very high91.7Very high18 Ų1852.1 Ų52.115%0.14930%0.299CS..Hα-helixtrans-66.6-43.5178.300000112.2D170 S171 G172 A177 K178 V185D170-A174 WeakPolarHBondContact O-CB 3.35Å; D170-A174 PolarHBondContact O-N 2.77Å; S171-A174 WeakPolarHBondContact O-CB 3.49Å; S171-A174 PolarHBondContact O-N 3.26Å; G172-A174 VanDerWaalsContact C-N 3.34Å; A174-A177 PolarHBondContact O-N 3.45Å; A174-K178 WeakPolarHBondContact O-CG 3.37Å; A174-K178 PolarHBondContact O-N 3.45Å; A174-K178 VanDerWaalsContact O-N 3.13Å; A174-V185 HydrophobicContact CB-CG1 3.71Å
175T91.1Very high91.7Very high76 Ų7652.8 Ų52.847%0.46630%0.303SS..Hα-helixtrans-63.3-44.9174.250.90000111S171 G172 A177 K178 E179S171-T175 PolarHBondContact O-N 2.82Å; S171-T175 PolarHBondContact O-OG1 2.92Å; G172-T175 PolarHBondContact O-OG1 3.11Å; T175-A177 VanDerWaalsContact C-N 3.34Å; T175-A177 PolarHBondContact O-N 3.49Å; T175-K178 WeakPolarHBondContact O-CB 3.42Å; T175-K178 PolarHBondContact O-N 3.47Å; T175-K178 VanDerWaalsContact O-N 3.16Å; T175-E179 WeakPolarHBondContact O-CG 3Å; T175-E179 PolarHBondContact O-N 3.02Å
176F91.8Very high91.5Very high89 Ų8953.4 Ų53.439%0.3931%0.309SS..Hα-helixtrans-60.4-41.9177.5-171.7-109000112.4G172 Q173 K178 E179 N180G172-F176 WeakPolarHBondContact O-CB 3.35Å; G172-F176 PolarHBondContact O-N 3.43Å; Q173-F176 PolarHBondContact O-N 3.44Å; F176-K178 VanDerWaalsContact C-N 3.34Å; F176-K178 PolarHBondContact O-N 3.48Å; F176-E179 PolarHBondContact O-N 3.29Å; F176-N180 WeakPolarHBondContact CE1-ND2 3.45Å; F176-N180 WeakPolarHBondContact CZ-ND2 3.48Å; F176-N180 PolarHBondContact O-N 3.38Å; F176-N180 VanDerWaalsContact O-N 3.08Å; F176-N180 PolarHBondContact O-ND2 3.34Å
177A91.5Very high91.3Very high0 Ų054 Ų540%032%0.315CS..Hα-helixtrans-62.9-39.8176.400000112.4V166 Q173 A174 T175 N180 G181 A182 V185 I237 L241V166-A177 HydrophobicContact CB-CB 4.29Å; V166-A177 HydrophobicContact CG1-CB 4.25Å; V166-A177 HydrophobicContact CG2-CB 4.27Å; Q173-A177 WeakPolarHBondContact O-CB 3.28Å; Q173-A177 PolarHBondContact O-N 3.45Å; A174-A177 PolarHBondContact O-N 3.45Å; T175-A177 VanDerWaalsContact C-N 3.34Å; T175-A177 PolarHBondContact O-N 3.49Å; A177-N180 PolarHBondContact O-N 3.34Å; A177-G181 PolarHBondContact O-N 3.32Å; A177-A182 HydrophobicContact CB-CB 4.36Å; A177-A182 WeakPolarHBondContact O-CB 3.2Å; A177-A182 PolarHBondContact O-N 3.33Å; A177-A182 VanDerWaalsContact O-N 3.09Å; A177-V185 HydrophobicContact CB-CG1 4.05Å; A177-V185 HydrophobicContact CB-CG2 3.78Å; A177-I237 HydrophobicContact CB-CG2 3.92Å; A177-L241 HydrophobicContact CB-CD1 4.43Å
178K91.6Very high91.1Very high132 Ų13256.2 Ų56.257%0.57433%0.333SS*.Hα-helixtrans-64.5-44.1176-71.5177.3-178.5-178.60111.7A174 T175 F176 N180 G181 V185A174-K178 WeakPolarHBondContact O-CG 3.37Å; A174-K178 PolarHBondContact O-N 3.45Å; A174-K178 VanDerWaalsContact O-N 3.13Å; T175-K178 WeakPolarHBondContact O-CB 3.42Å; T175-K178 PolarHBondContact O-N 3.47Å; T175-K178 VanDerWaalsContact O-N 3.16Å; F176-K178 VanDerWaalsContact C-N 3.34Å; F176-K178 PolarHBondContact O-N 3.48Å; K178-N180 VanDerWaalsContact C-N 3.27Å; K178-N180 PolarHBondContact O-N 2.95Å; K178-G181 PolarHBondContact O-N 3.28Å; K178-V185 HydrophobicContact CG-CB 3.99Å; K178-V185 HydrophobicContact CG-CG2 3.69Å
179E90.9Very high91Very high153 Ų15364.1 Ų64.172%0.71537%0.37SS*.Hα-helixtrans-61.5-35.1176.7-71.3170.4-172.700112.5T175 F176 G181T175-E179 WeakPolarHBondContact O-CG 3Å; T175-E179 PolarHBondContact O-N 3.02Å; F176-E179 PolarHBondContact O-N 3.29Å; E179-G181 PolarHBondContact O-N 2.58Å
180N89.4Confident91.1Very high52 Ų5260.8 Ų60.828%0.27836%0.355SS..THydrogen-bonded Turntrans-79.76.2176.4-75.3-86.2000113.6F176 A177 K178 L241F176-N180 WeakPolarHBondContact CE1-ND2 3.45Å; F176-N180 WeakPolarHBondContact CZ-ND2 3.48Å; F176-N180 PolarHBondContact O-N 3.38Å; F176-N180 VanDerWaalsContact O-N 3.08Å; F176-N180 PolarHBondContact O-ND2 3.34Å; A177-N180 PolarHBondContact O-N 3.34Å; K178-N180 VanDerWaalsContact C-N 3.27Å; K178-N180 PolarHBondContact O-N 2.95Å; N180-L241 HydrophobicContact CB-CD1 3.61Å
181G86.1Confident91.2Very high43 Ų4358 Ų5844%0.44334%0.34SS..THydrogen-bonded Turntrans81.331172.800000114.6A177 K178 E179A177-G181 PolarHBondContact O-N 3.32Å; K178-G181 PolarHBondContact O-N 3.28Å; E179-G181 PolarHBondContact O-N 2.58Å
182A91.8Very high91.4Very high14 Ų1460 Ų6012%0.11634%0.338CS..  trans-64.1136.716400000110.2V166 A177 V185 L241V166-A182 HydrophobicContact CG2-CB 3.92Å; A177-A182 HydrophobicContact CB-CB 4.36Å; A177-A182 WeakPolarHBondContact O-CB 3.2Å; A177-A182 PolarHBondContact O-N 3.33Å; A177-A182 VanDerWaalsContact O-N 3.09Å; A182-V185 HydrophobicContact CB-CG2 3.5Å; A182-L241 HydrophobicContact CB-CD1 4.18Å; A182-L241 HydrophobicContact CB-CD2 3.98Å
183A92.8Very high91.7Very high51 Ų5159 Ų5942%0.42132%0.323SS..SBendtrans-71-40.1-178.300000111.6K163 V164K163-A183 HydrophobicContact CB-CB 4.29Å; V164-A183 PolarHBondContact O-N 2.94Å
184F93.4Very high92Very high81 Ų8156.5 Ų56.536%0.35531%0.312SS..EExtended strand (participates in β ladder)trans-139.4139.8178.5-58.1-76.6000109.3L165 V166 I199L165-F184 WeakPolarHBondContact CA-O 3.02Å; L165-F184 HydrophobicContact CB-CB 4.34Å; L165-F184 HydrophobicContact CD1-CB 3.74Å; L165-F184 HydrophobicContact CD1-CD2 4.36Å; L165-F184 HydrophobicContact CD1-CG 4.34Å; L165-F184 HydrophobicContact CG-CB 3.78Å; V166-F184 PolarHBondContact N-O 2.97Å; F184-I199 HydrophobicContact CD1-CG2 4.26Å; F184-I199 HydrophobicContact CD2-CG2 3.8Å; F184-I199 HydrophobicContact CE1-CG2 4.34Å; F184-I199 HydrophobicContact CE2-CG2 3.9Å; F184-I199 HydrophobicContact CG-CG2 3.99Å; F184-I199 HydrophobicContact CZ-CG2 4.17Å
185V94.8Very high92.1Very high21 Ų2159.1 Ų59.113%0.12732%0.323CS..EExtended strand (participates in β ladder)trans-141.1129.7179.6-176.20000108.6V166 A174 A177 K178 A182V166-V185 HydrophobicContact CB-CG2 4.36Å; V166-V185 WeakPolarHBondContact O-CA 3.04Å; A174-V185 HydrophobicContact CB-CG1 3.71Å; A177-V185 HydrophobicContact CB-CG1 4.05Å; A177-V185 HydrophobicContact CB-CG2 3.78Å; K178-V185 HydrophobicContact CG-CB 3.99Å; K178-V185 HydrophobicContact CG-CG2 3.69Å; A182-V185 HydrophobicContact CB-CG2 3.5Å
186G92.4Very high92.3Very high13 Ų1360.7 Ų60.713%0.13433%0.328CS..EExtended strand (participates in β ladder)trans-178.2176.2178.700000113.5V166 F167 T168V166-G186 PolarHBondContact O-N 3.08Å; F167-G186 VanDerWaalsContact CA-O 3.29Å; F167-G186 WeakPolarHBondContact CA-O 3.33Å; T168-G186 PolarHBondContact N-O 3.48Å; T168-G186 CarbonylContact O-C 3.49Å
187G91.5Very high92.3Very high11 Ų1162.2 Ų62.211%0.11334%0.341CS..SBendtrans-97.4-132.2179.500000112.4T168 E189T168-G187 PolarHBondContact O-N 2.86Å; G187-E189 PolarHBondContact O-N 2.87Å
188A90.8Very high92.3Very high47 Ų4769.3 Ų69.339%0.38837%0.374SS..G310 helixtrans-65.7-21.3177.400000113.9L190 I191A188-L190 PolarHBondContact O-N 3.21Å; A188-I191 HydrophobicContact CB-CD1 4.08Å; A188-I191 VanDerWaalsContact O-CB 3.29Å; A188-I191 WeakPolarHBondContact O-CB 3.45Å; A188-I191 VanDerWaalsContact O-CG1 3.3Å; A188-I191 WeakPolarHBondContact O-CG1 3.35Å; A188-I191 PolarHBondContact O-N 2.86Å; A188-I191 VanDerWaalsContact O-N 3.1Å
189E92.5Very high92.4Very high170 Ų17064.4 Ų64.479%0.79435%0.354SS*.G310 helixtrans-60.2-32.3-180-62.3173.5-177.100112.7G187 I191 P193G187-E189 PolarHBondContact O-N 2.87Å; E189-I191 PolarHBondContact O-N 2.84Å; E189-P193 WeakPolarHBondContact O-CD 3.37Å
190L92.6Very high92.4Very high25 Ų2561.1 Ų61.113%0.13135%0.347CS..G310 helixtrans-76.3-9179.8-64.9-178.4000113.4L165 F167 A188 I194 I199L165-L190 HydrophobicContact CD1-CD1 4.29Å; L165-L190 HydrophobicContact CD2-CD1 4.12Å; L165-L190 HydrophobicContact CG-CD1 4.33Å; F167-L190 HydrophobicContact CE1-CB 4.04Å; A188-L190 PolarHBondContact O-N 3.21Å; L190-I194 HydrophobicContact CB-CD1 4.23Å; L190-I194 WeakPolarHBondContact O-CB 3.24Å; L190-I194 WeakPolarHBondContact O-CD1 3.01Å; L190-I194 WeakPolarHBondContact O-CG1 3.29Å; L190-I194 PolarHBondContact O-N 2.93Å; L190-I199 HydrophobicContact CD2-CD1 3.87Å
191I92.9Very high92.6Very high20 Ų2058.8 Ų58.810%0.10334%0.335CS..Hα-helixtrans-66.6-45.9-177-63.7171.1000110.9A188 E189 I194 L195 K213 L217A188-I191 HydrophobicContact CB-CD1 4.08Å; A188-I191 VanDerWaalsContact O-CB 3.29Å; A188-I191 WeakPolarHBondContact O-CB 3.45Å; A188-I191 VanDerWaalsContact O-CG1 3.3Å; A188-I191 WeakPolarHBondContact O-CG1 3.35Å; A188-I191 PolarHBondContact O-N 2.86Å; A188-I191 VanDerWaalsContact O-N 3.1Å; E189-I191 PolarHBondContact O-N 2.84Å; I191-I194 PolarHBondContact O-N 2.87Å; I191-L195 HydrophobicContact CG2-CD1 4.02Å; I191-L195 HydrophobicContact CG2-CG 4.48Å; I191-L195 VanDerWaalsContact O-CG 3.3Å; I191-L195 WeakPolarHBondContact O-CG 3.41Å; I191-L195 PolarHBondContact O-N 3.03Å; I191-K213 VanDerWaalsContact CD1-O 3.28Å; I191-K213 WeakPolarHBondContact CD1-O 3.45Å; I191-L217 HydrophobicContact CG1-CD1 4.25Å; I191-L217 HydrophobicContact CG2-CD2 3.97Å; I191-L217 HydrophobicContact CG2-CG 4.07Å
192Q94Very high92.9Very high143 Ų14359.9 Ų59.967%0.66833%0.331SS*.Hα-helixtrans-66-51.6-179.3-72.5-173.7-12.700112.5I194 L195 D196Q192-I194 PolarHBondContact O-N 3.36Å; Q192-I194 VanDerWaalsContact O-N 3.15Å; Q192-L195 CarbonylContact O-C 3.5Å; Q192-L195 WeakPolarHBondContact O-CA 3.4Å; Q192-L195 WeakPolarHBondContact O-CB 3.08Å; Q192-L195 PolarHBondContact O-N 2.81Å; Q192-D196 PolarHBondContact O-N 2.55Å
193P94.6Very high92.9Very high26 Ų2660 Ų6017%0.16933%0.329CS..Hα-helixtrans-57.4-33.9176.8-26.234.3000113.8E189 D196 D197 E198 I199E189-P193 WeakPolarHBondContact O-CD 3.37Å; P193-D196 PolarHBondContact O-N 2.78Å; P193-D197 PolarHBondContact O-N 3.28Å; P193-E198 HydrophobicContact CB-CB 4.25Å; P193-E198 PolarHBondContact O-N 3.37Å; P193-I199 HydrophobicContact CB-CB 4.5Å; P193-I199 HydrophobicContact CB-CD1 3.67Å; P193-I199 HydrophobicContact CB-CG1 3.86Å; P193-I199 HydrophobicContact CG-CD1 4.36Å; P193-I199 PolarHBondContact O-N 3.04Å
194I94.6Very high93Very high2 Ų258.2 Ų58.21%0.0131%0.311CS..Hα-helixtrans-71.4-36.7174.6-66.2166.6000110.7L165 F167 L190 I191 Q192 D196 D197 I199 Y204 L217 K220 L221L165-I194 HydrophobicContact CD1-CD1 3.9Å; L165-I194 HydrophobicContact CD2-CD1 4.47Å; F167-I194 HydrophobicContact CE1-CD1 3.99Å; F167-I194 HydrophobicContact CZ-CD1 3.51Å; L190-I194 HydrophobicContact CB-CD1 4.23Å; L190-I194 WeakPolarHBondContact O-CB 3.24Å; L190-I194 WeakPolarHBondContact O-CD1 3.01Å; L190-I194 WeakPolarHBondContact O-CG1 3.29Å; L190-I194 PolarHBondContact O-N 2.93Å; I191-I194 PolarHBondContact O-N 2.87Å; Q192-I194 PolarHBondContact O-N 3.36Å; Q192-I194 VanDerWaalsContact O-N 3.15Å; I194-D196 VanDerWaalsContact C-N 3.29Å; I194-D197 PolarHBondContact O-N 2.89Å; I194-I199 HydrophobicContact CG1-CB 4.25Å; I194-Y204 HydrophobicContact CD1-CE1 4.07Å; I194-L217 HydrophobicContact CB-CD2 4.18Å; I194-L217 HydrophobicContact CD1-CD1 4.25Å; I194-L217 HydrophobicContact CG2-CD1 4.36Å; I194-L217 HydrophobicContact CG2-CD2 3.86Å; I194-K220 VanDerWaalsContact O-CD 3.3Å; I194-K220 WeakPolarHBondContact O-CD 3.4Å; I194-K220 WeakPolarHBondContact O-CE 3.45Å; I194-K220 PolarHBondContact O-NZ 2.85Å; I194-L221 HydrophobicContact CG2-CD2 4.26Å
195L93.2Very high93.1Very high73 Ų7354.4 Ų54.438%0.38230%0.295SS..Hα-helixtrans-68.4-27.6174-74.3174.4000113.2I191 Q192 L217 K220I191-L195 HydrophobicContact CG2-CD1 4.02Å; I191-L195 HydrophobicContact CG2-CG 4.48Å; I191-L195 VanDerWaalsContact O-CG 3.3Å; I191-L195 WeakPolarHBondContact O-CG 3.41Å; I191-L195 PolarHBondContact O-N 3.03Å; Q192-L195 CarbonylContact O-C 3.5Å; Q192-L195 WeakPolarHBondContact O-CA 3.4Å; Q192-L195 WeakPolarHBondContact O-CB 3.08Å; Q192-L195 PolarHBondContact O-N 2.81Å; L195-L217 HydrophobicContact CD1-CD2 4.49Å; L195-L217 HydrophobicContact CD2-CD2 3.73Å; L195-L217 HydrophobicContact CG-CD2 3.68Å; L195-K220 HydrophobicContact CD2-CB 4.48Å; L195-K220 HydrophobicContact CD2-CD 4.11Å; L195-K220 PolarHBondContact O-NZ 3.47Å
196D94.2Very high93.1Very high109 Ų10953.4 Ų53.458%0.58329%0.289SS*.THydrogen-bonded Turntrans-911178.2-61.3-31.4000113.3Q192 P193 I194 E198Q192-D196 PolarHBondContact O-N 2.55Å; P193-D196 PolarHBondContact O-N 2.78Å; I194-D196 VanDerWaalsContact C-N 3.29Å; D196-E198 HydrophobicContact CB-CG 4.25Å; D196-E198 PolarHBondContact O-N 2.66Å
197D91.9Very high93.2Very high121 Ų12153 Ų5365%0.64728%0.283SS*.THydrogen-bonded Turntrans65.116.6-178.5-69.7-53.9000114.7P193 I194 K220P193-D197 PolarHBondContact O-N 3.28Å; I194-D197 PolarHBondContact O-N 2.89Å; D197-K220 WeakPolarHBondContact OD1-CE 3.49Å; D197-K220 IonicContact OD1-NZ 2.73Å; D197-K220 PolarHBondContact OD1-NZ 2.92Å; D197-K220 IonicContact OD2-NZ 2.82Å; D197-K220 PolarHBondContact OD2-NZ 3.26Å
198E93.1Very high93.2Very high149 Ų14955 Ų5570%0.69630%0.295SS*.SBendtrans-69.7-37.2173.9-62.3-174.4162.400111.8P193 D196P193-E198 HydrophobicContact CB-CB 4.25Å; P193-E198 PolarHBondContact O-N 3.37Å; D196-E198 HydrophobicContact CB-CG 4.25Å; D196-E198 PolarHBondContact O-N 2.66Å
199I93.1Very high93.3Very high29 Ų2958.2 Ų58.215%0.14931%0.305CS..  trans-117122.3-178.6-55.8179.4000109.6L165 F184 L190 P193 I194L165-I199 HydrophobicContact CD1-CG2 3.9Å; F184-I199 HydrophobicContact CD1-CG2 4.26Å; F184-I199 HydrophobicContact CD2-CG2 3.8Å; F184-I199 HydrophobicContact CE1-CG2 4.34Å; F184-I199 HydrophobicContact CE2-CG2 3.9Å; F184-I199 HydrophobicContact CG-CG2 3.99Å; F184-I199 HydrophobicContact CZ-CG2 4.17Å; L190-I199 HydrophobicContact CD2-CD1 3.87Å; P193-I199 HydrophobicContact CB-CB 4.5Å; P193-I199 HydrophobicContact CB-CD1 3.67Å; P193-I199 HydrophobicContact CB-CG1 3.86Å; P193-I199 HydrophobicContact CG-CD1 4.36Å; P193-I199 PolarHBondContact O-N 3.04Å; I194-I199 HydrophobicContact CG1-CB 4.25Å
200S91.4Very high93.3Very high84 Ų8450.2 Ų50.259%0.58727%0.268SS*.  trans-126.8129175.670.90000111.6
201A92.9Very high93.2Very high3 Ų351.5 Ų51.53%0.02528%0.275CS..  trans-122.9161.2173.100000112.3L165 Y204 K224L165-A201 HydrophobicContact CB-CB 3.67Å; A201-Y204 HydrophobicContact CB-CE1 4.08Å; A201-Y204 HydrophobicContact CB-CE2 4.32Å; A201-Y204 PolarHBondContact N-OH 2.92Å; A201-Y204 VanDerWaalsContact N-OH 3.14Å; A201-Y204 WeakPolarHBondContact O-CE2 3.23Å; A201-Y204 PolarHBondContact O-OH 3.42Å; A201-K224 PolarHBondContact O-NZ 3.42Å
202D91.9Very high93.2Very high65 Ų6555.7 Ų55.735%0.34830%0.301SS..SBendtrans-79.6-49.8176-61.9-45.7000110.3N162 K163N162-D202 HydrophobicContact CB-CB 4.23Å; K163-D202 PolarHBondContact N-OD2 2.86Å; K163-D202 PolarHBondContact O-N 2.83Å
203F93.1Very high93.1Very high18 Ų1853.1 Ų53.18%0.07929%0.288CS..EExtended strand (participates in β ladder)trans-118.5138.9178.9-65.2-84.8000111.3N162 K163 V164 L165 F244 E249N162-F203 HydrophobicContact CB-CD2 3.81Å; N162-F203 HydrophobicContact CB-CE2 3.81Å; N162-F203 WeakPolarHBondContact ND2-CE2 3.4Å; K163-F203 PolarHBondContact O-N 2.93Å; V164-F203 WeakPolarHBondContact CA-O 3.44Å; V164-F203 HydrophobicContact CG1-CB 4.21Å; V164-F203 HydrophobicContact CG2-CB 4.3Å; L165-F203 PolarHBondContact N-O 2.91Å; F203-F244 HydrophobicContact CB-CB 4.13Å; F203-F244 HydrophobicContact CB-CG 4.42Å; F203-F244 HydrophobicContact CD1-CB 4.41Å; F203-F244 AromaticContact CD1-CD1 3.57Å; F203-F244 HydrophobicContact CD1-CD1 3.57Å; F203-F244 HydrophobicContact CD1-CE1 4.23Å; F203-F244 HydrophobicContact CD1-CG 4.24Å; F203-F244 HydrophobicContact CD2-CB 4.29Å; F203-F244 AromaticContact CE1-CD1 3.9Å; F203-F244 HydrophobicContact CE1-CD1 3.9Å; F203-F244 HydrophobicContact CE1-CE1 4.48Å; F203-F244 HydrophobicContact CG-CB 4.01Å; F203-F244 HydrophobicContact CG-CD1 4.05Å; F203-F244 HydrophobicContact CG-CG 4.28Å; F203-E249 HydrophobicContact CE1-CB 3.94Å; F203-E249 HydrophobicContact CE1-CG 4.37Å; F203-E249 HydrophobicContact CZ-CB 3.85Å
204Y94.4Very high93Very high12 Ų1251.9 Ų51.95%0.04728%0.28CS..EExtended strand (participates in β ladder)trans-115.1118.7174.5-61.4-94.7000108.2L165 F167 I194 A201 L221 K224L165-Y204 HydrophobicContact CB-CD1 4.13Å; L165-Y204 HydrophobicContact CB-CE1 4.38Å; L165-Y204 HydrophobicContact CD1-CD1 4.48Å; L165-Y204 HydrophobicContact CD1-CE1 4.19Å; L165-Y204 HydrophobicContact CD2-CD1 4.08Å; L165-Y204 HydrophobicContact CG-CD1 4.46Å; L165-Y204 WeakPolarHBondContact O-CA 3.09Å; F167-Y204 AromaticContact CE2-CD1 3.78Å; F167-Y204 HydrophobicContact CE2-CD1 3.78Å; F167-Y204 HydrophobicContact CE2-CG 4.48Å; F167-Y204 HydrophobicContact CZ-CD1 4.25Å; I194-Y204 HydrophobicContact CD1-CE1 4.07Å; A201-Y204 HydrophobicContact CB-CE1 4.08Å; A201-Y204 HydrophobicContact CB-CE2 4.32Å; A201-Y204 PolarHBondContact N-OH 2.92Å; A201-Y204 VanDerWaalsContact N-OH 3.14Å; A201-Y204 WeakPolarHBondContact O-CE2 3.23Å; A201-Y204 PolarHBondContact O-OH 3.42Å; Y204-L221 HydrophobicContact CD1-CD1 4.09Å; Y204-L221 HydrophobicContact CD2-CD1 4.23Å; Y204-L221 HydrophobicContact CD2-CD2 4.15Å; Y204-L221 HydrophobicContact CE1-CD1 4.26Å; Y204-L221 HydrophobicContact CE1-CD2 4.04Å; Y204-L221 HydrophobicContact CE2-CD1 4.41Å; Y204-L221 HydrophobicContact CE2-CD2 3.56Å; Y204-L221 HydrophobicContact CG-CD1 4.07Å; Y204-L221 VanDerWaalsContact CZ-CD2 3.49Å; Y204-K224 HydrophobicContact CD2-CB 3.89Å; Y204-K224 HydrophobicContact CE2-CB 4.03Å; Y204-K224 HydrophobicContact CE2-CD 3.98Å
205V94.8Very high93Very high1 Ų155.7 Ų55.71%0.00630%0.303CS..EExtended strand (participates in β ladder)trans-109138.9176.3178.50000108V164 L165 V166 F167 T232 A240 F244V164-V205 HydrophobicContact CG1-CG2 3.77Å; L165-V205 PolarHBondContact O-N 3.34Å; V166-V205 CarbonylContact C-O 3.52Å; V166-V205 WeakPolarHBondContact CA-O 3.27Å; V166-V205 HydrophobicContact CG2-CB 4.39Å; F167-V205 PolarHBondContact N-O 3.23Å; V205-T232 WeakPolarHBondContact CA-O 3.44Å; V205-A240 HydrophobicContact CG1-CB 4.17Å; V205-F244 HydrophobicContact CG2-CD2 3.74Å; V205-F244 HydrophobicContact CG2-CE2 4.15Å
206A95Very high92.9Very high0 Ų056 Ų560%031%0.309CS..EExtended strand (participates in β ladder)trans-138.1145.7-179.100000111.9F167 L211 I214 P226 T232 V233 T234F167-A206 HydrophobicContact CB-CB 4Å; F167-A206 HydrophobicContact CD2-CB 4.36Å; A206-L211 HydrophobicContact CB-CD2 4.25Å; A206-I214 HydrophobicContact CB-CD1 4.02Å; A206-P226 HydrophobicContact CB-CB 4.02Å; A206-P226 HydrophobicContact CB-CG 4.03Å; A206-T232 PolarHBondContact N-O 2.95Å; A206-V233 VanDerWaalsContact O-CA 3.27Å; A206-V233 WeakPolarHBondContact O-CA 3.3Å; A206-T234 PolarHBondContact O-N 3.17Å
207V94.2Very high92.9Very high4 Ų450.8 Ų50.82%0.02428%0.281CS..  trans-73.3144.6165.2-179.10000108.7F167 T168 D209 M210 I237F167-V207 PolarHBondContact O-N 3.16Å; F167-V207 VanDerWaalsContact O-N 3.13Å; T168-V207 HydrophobicContact CG2-CG2 3.49Å; T168-V207 VanDerWaalsContact CG2-CG2 3.49Å; V207-D209 HydrophobicContact CG1-CB 4.4Å; V207-D209 PolarHBondContact O-N 2.94Å; V207-D209 VanDerWaalsContact O-N 3.12Å; V207-M210 WeakPolarHBondContact O-CB 3.37Å; V207-M210 PolarHBondContact O-N 2.86Å; V207-I237 HydrophobicContact CG2-CD1 4.34Å
208P92.6Very high92.9Very high54 Ų5451 Ų5135%0.35128%0.277SS..G310 helixtrans-49.7-37.8179.1-28.534.7000114.1M210 L211 V233 N235P208-M210 VanDerWaalsContact C-N 3.26Å; P208-M210 PolarHBondContact O-N 3.47Å; P208-L211 VanDerWaalsContact O-CB 3.28Å; P208-L211 WeakPolarHBondContact O-CB 3.38Å; P208-L211 WeakPolarHBondContact O-CG 3.29Å; P208-L211 PolarHBondContact O-N 3.07Å; P208-L211 VanDerWaalsContact O-N 3.14Å; P208-V233 HydrophobicContact CB-CG1 4.36Å; P208-V233 HydrophobicContact CG-CG1 3.92Å; P208-N235 WeakPolarHBondContact CD-OD1 3.32Å; P208-N235 WeakPolarHBondContact CG-OD1 3.31Å
209D92.1Very high92.8Very high114 Ų11450.3 Ų50.361%0.6128%0.278SS*.G310 helixtrans-65.1-30.9-178-56.5-26.9000112.6V207 L211 T212V207-D209 HydrophobicContact CG1-CB 4.4Å; V207-D209 PolarHBondContact O-N 2.94Å; V207-D209 VanDerWaalsContact O-N 3.12Å; D209-L211 VanDerWaalsContact C-N 3.31Å; D209-L211 PolarHBondContact O-N 3.49Å; D209-T212 PolarHBondContact O-OG1 3.33Å
210M92.3Very high92.8Very high2 Ų252 Ų521%0.0128%0.284CS..G310 helixtrans-77.1-14.6178-68.2-54.7-61.700113.7F167 E169 V207 P208 T212 K213 I214F167-M210 HydrophobicContact CB-CB 4.24Å; F167-M210 HydrophobicContact CB-CG 4.43Å; E169-M210 HydrophobicContact CB-SD 3.73Å; E169-M210 HydrophobicContact CG-CE 3.92Å; E169-M210 HydrophobicContact CG-SD 3.32Å; E169-M210 WeakPolarHBondContact CG-SD 3.06Å; V207-M210 WeakPolarHBondContact O-CB 3.37Å; V207-M210 PolarHBondContact O-N 2.86Å; P208-M210 VanDerWaalsContact C-N 3.26Å; P208-M210 PolarHBondContact O-N 3.47Å; M210-T212 VanDerWaalsContact C-N 3.25Å; M210-T212 PolarHBondContact O-N 3.33Å; M210-K213 HydrophobicContact CE-CB 4.3Å; M210-K213 HydrophobicContact CE-CD 4.17Å; M210-K213 PolarHBondContact O-N 2.9Å; M210-K213 VanDerWaalsContact O-N 3.08Å; M210-K213 HydrophobicContact SD-CD 4.34Å; M210-I214 PolarHBondContact O-N 2.83Å; M210-I214 VanDerWaalsContact O-N 3.12Å
211L91.3Very high92.8Very high52 Ų5248.8 Ų48.827%0.27226%0.26SS..G310 helixtrans-60-35.5-174.3-73.6-177.4000113.3A206 P208 D209 K213 I214 V215 P226 V233A206-L211 HydrophobicContact CB-CD2 4.25Å; P208-L211 VanDerWaalsContact O-CB 3.28Å; P208-L211 WeakPolarHBondContact O-CB 3.38Å; P208-L211 WeakPolarHBondContact O-CG 3.29Å; P208-L211 PolarHBondContact O-N 3.07Å; P208-L211 VanDerWaalsContact O-N 3.14Å; D209-L211 VanDerWaalsContact C-N 3.31Å; D209-L211 PolarHBondContact O-N 3.49Å; L211-K213 VanDerWaalsContact C-N 3.3Å; L211-K213 PolarHBondContact O-N 3.21Å; L211-I214 HydrophobicContact CD2-CD1 3.76Å; L211-I214 HydrophobicContact CD2-CG1 4.43Å; L211-I214 WeakPolarHBondContact O-CG1 2.92Å; L211-V215 WeakPolarHBondContact O-CG2 3.5Å; L211-P226 HydrophobicContact CD2-CB 4.4Å; L211-V233 HydrophobicContact CD1-CG1 3.78Å; L211-V233 HydrophobicContact CD1-CG2 4.2Å; L211-V233 HydrophobicContact CD2-CG1 4.46Å; L211-V233 HydrophobicContact CD2-CG2 3.84Å; L211-V233 HydrophobicContact CG-CG1 4.26Å; L211-V233 HydrophobicContact CG-CG2 4.48Å
212T91.8Very high92.6Very high108 Ų10857.9 Ų57.966%0.66329%0.294SS*.G310 helixtrans-66.7-34.4179.256.10000111.9D209 M210 V215D209-T212 PolarHBondContact O-OG1 3.33Å; M210-T212 VanDerWaalsContact C-N 3.25Å; M210-T212 PolarHBondContact O-N 3.33Å; T212-V215 WeakPolarHBondContact O-CG2 3.34Å
213K92.3Very high92.3Very high89 Ų8960.6 Ų60.639%0.38730%0.303SS..THydrogen-bonded Turntrans-81.5-33.3-177.3-64177.9177179.50112.3E169 I191 M210 L211 V215 P216E169-K213 WeakPolarHBondContact OE1-CD 3.38Å; E169-K213 WeakPolarHBondContact OE1-CE 3.21Å; E169-K213 IonicContact OE1-NZ 2.61Å; E169-K213 PolarHBondContact OE1-NZ 2.67Å; E169-K213 IonicContact OE2-NZ 2.62Å; E169-K213 PolarHBondContact OE2-NZ 3.21Å; I191-K213 VanDerWaalsContact CD1-O 3.28Å; I191-K213 WeakPolarHBondContact CD1-O 3.45Å; M210-K213 HydrophobicContact CE-CB 4.3Å; M210-K213 HydrophobicContact CE-CD 4.17Å; M210-K213 PolarHBondContact O-N 2.9Å; M210-K213 VanDerWaalsContact O-N 3.08Å; M210-K213 HydrophobicContact SD-CD 4.34Å; L211-K213 VanDerWaalsContact C-N 3.3Å; L211-K213 PolarHBondContact O-N 3.21Å; K213-V215 VanDerWaalsContact C-N 3.31Å; K213-V215 PolarHBondContact O-N 3.21Å; K213-P216 WeakPolarHBondContact O-CD 3.48Å
214I93.5Very high92.2Very high1 Ų164 Ų641%0.00532%0.318CS..SBendtrans-82.7-0.3-179.767.8174.2000114.4F167 A206 M210 L211 P216 L217 F225 P226F167-I214 HydrophobicContact CB-CG2 4.48Å; F167-I214 HydrophobicContact CD1-CG2 4.01Å; F167-I214 HydrophobicContact CD2-CG2 4.22Å; F167-I214 HydrophobicContact CE1-CG2 4.2Å; F167-I214 HydrophobicContact CE2-CG2 4.39Å; F167-I214 HydrophobicContact CG-CG2 4Å; F167-I214 HydrophobicContact CZ-CG2 4.38Å; A206-I214 HydrophobicContact CB-CD1 4.02Å; M210-I214 PolarHBondContact O-N 2.83Å; M210-I214 VanDerWaalsContact O-N 3.12Å; L211-I214 HydrophobicContact CD2-CD1 3.76Å; L211-I214 HydrophobicContact CD2-CG1 4.43Å; L211-I214 WeakPolarHBondContact O-CG1 2.92Å; I214-P216 VanDerWaalsContact C-N 3.28Å; I214-L217 HydrophobicContact CB-CD1 4.44Å; I214-L217 WeakPolarHBondContact O-CB 3.02Å; I214-L217 PolarHBondContact O-N 2.7Å; I214-F225 HydrophobicContact CD1-CE2 4.04Å; I214-F225 HydrophobicContact CD1-CZ 4.07Å; I214-F225 HydrophobicContact CG1-CE2 3.97Å; I214-F225 HydrophobicContact CG1-CZ 4.02Å; I214-P226 HydrophobicContact CD1-CB 4.43Å; I214-P226 HydrophobicContact CD1-CG 3.9Å
215V93.3Very high92.1Very high81 Ų8164.9 Ų64.949%0.49132%0.321SS..G310 helixtrans-49.7-39.1178.1177.10000113.9L211 T212 K213 L217 K218L211-V215 WeakPolarHBondContact O-CG2 3.5Å; T212-V215 WeakPolarHBondContact O-CG2 3.34Å; K213-V215 VanDerWaalsContact C-N 3.31Å; K213-V215 PolarHBondContact O-N 3.21Å; V215-L217 PolarHBondContact O-N 3.47Å; V215-L217 VanDerWaalsContact O-N 3.17Å; V215-K218 WeakPolarHBondContact O-CB 3.3Å; V215-K218 PolarHBondContact O-N 2.78Å
216P92.3Very high92Very high79 Ų7965 Ų6551%0.51332%0.322SS..G310 helixtrans-57.1-30.3177.2-25.836.4000113.7K213 I214 K218K213-P216 WeakPolarHBondContact O-CD 3.48Å; I214-P216 VanDerWaalsContact C-N 3.28Å; P216-K218 PolarHBondContact O-N 2.89Å
217L93.1Very high91.9Very high0 Ų069.5 Ų69.50%034%0.342CS..G310 helixtrans-74.3-9.8-179.9-62.2179.2000113.7F167 I191 I194 L195 I214 V215 N219 K220 L221F167-L217 HydrophobicContact CE1-CD1 4.35Å; F167-L217 HydrophobicContact CE2-CD1 4.46Å; F167-L217 HydrophobicContact CZ-CD1 3.72Å; I191-L217 HydrophobicContact CG1-CD1 4.25Å; I191-L217 HydrophobicContact CG2-CD2 3.97Å; I191-L217 HydrophobicContact CG2-CG 4.07Å; I194-L217 HydrophobicContact CB-CD2 4.18Å; I194-L217 HydrophobicContact CD1-CD1 4.25Å; I194-L217 HydrophobicContact CG2-CD1 4.36Å; I194-L217 HydrophobicContact CG2-CD2 3.86Å; L195-L217 HydrophobicContact CD1-CD2 4.49Å; L195-L217 HydrophobicContact CD2-CD2 3.73Å; L195-L217 HydrophobicContact CG-CD2 3.68Å; I214-L217 HydrophobicContact CB-CD1 4.44Å; I214-L217 WeakPolarHBondContact O-CB 3.02Å; I214-L217 PolarHBondContact O-N 2.7Å; V215-L217 PolarHBondContact O-N 3.47Å; V215-L217 VanDerWaalsContact O-N 3.17Å; L217-N219 VanDerWaalsContact C-N 3.29Å; L217-N219 PolarHBondContact O-N 2.69Å; L217-K220 PolarHBondContact O-N 3.32Å; L217-K220 VanDerWaalsContact O-N 3.11Å; L217-L221 HydrophobicContact CB-CD1 3.88Å; L217-L221 HydrophobicContact CB-CG 4.15Å; L217-L221 HydrophobicContact CD1-CD1 4.22Å; L217-L221 PolarHBondContact O-N 3.38Å
218K92.5Very high91.6Very high126 Ų12673.9 Ų73.955%0.54837%0.372SS..Hα-helixtrans-56.6-40.3-174.8-175178.1178.8-177.60113.1V215 P216 R222 F225V215-K218 WeakPolarHBondContact O-CB 3.3Å; V215-K218 PolarHBondContact O-N 2.78Å; P216-K218 PolarHBondContact O-N 2.89Å; K218-R222 WeakPolarHBondContact O-CA 3.32Å; K218-R222 PolarHBondContact O-N 2.57Å; K218-F225 HydrophobicContact CB-CD2 4.22Å; K218-F225 HydrophobicContact CB-CE2 4.2Å
219N91.7Very high91.3Very high134 Ų13479.4 Ų79.472%0.71739%0.391SS*.Hα-helixtrans-72.7-31.5-178.9-71.9-15000112.7L217 R222L217-N219 VanDerWaalsContact C-N 3.29Å; L217-N219 PolarHBondContact O-N 2.69Å; N219-R222 WeakPolarHBondContact O-CG 3.36Å; N219-R222 PolarHBondContact O-NE 3.19Å
220K92.6Very high91Very high66 Ų6676 Ų7629%0.28737%0.37SS..Hα-helixtrans-80.8-52.3179.6-170.7166.3-168.5170.50111.5I194 L195 D197 L217I194-K220 VanDerWaalsContact O-CD 3.3Å; I194-K220 WeakPolarHBondContact O-CD 3.4Å; I194-K220 WeakPolarHBondContact O-CE 3.45Å; I194-K220 PolarHBondContact O-NZ 2.85Å; L195-K220 HydrophobicContact CD2-CB 4.48Å; L195-K220 HydrophobicContact CD2-CD 4.11Å; L195-K220 PolarHBondContact O-NZ 3.47Å; D197-K220 WeakPolarHBondContact OD1-CE 3.49Å; D197-K220 IonicContact OD1-NZ 2.73Å; D197-K220 PolarHBondContact OD1-NZ 2.92Å; D197-K220 IonicContact OD2-NZ 2.82Å; D197-K220 PolarHBondContact OD2-NZ 3.26Å; L217-K220 PolarHBondContact O-N 3.32Å; L217-K220 VanDerWaalsContact O-N 3.11Å
221L90.7Very high90.8Very high16 Ų1677.5 Ų77.58%0.08439%0.385CS..Hα-helixtrans-74-27.8-176.5-62.8-178.4000112.9I194 Y204 L217 K223 K224 F225I194-L221 HydrophobicContact CG2-CD2 4.26Å; Y204-L221 HydrophobicContact CD1-CD1 4.09Å; Y204-L221 HydrophobicContact CD2-CD1 4.23Å; Y204-L221 HydrophobicContact CD2-CD2 4.15Å; Y204-L221 HydrophobicContact CE1-CD1 4.26Å; Y204-L221 HydrophobicContact CE1-CD2 4.04Å; Y204-L221 HydrophobicContact CE2-CD1 4.41Å; Y204-L221 HydrophobicContact CE2-CD2 3.56Å; Y204-L221 HydrophobicContact CG-CD1 4.07Å; Y204-L221 VanDerWaalsContact CZ-CD2 3.49Å; L217-L221 HydrophobicContact CB-CD1 3.88Å; L217-L221 HydrophobicContact CB-CG 4.15Å; L217-L221 HydrophobicContact CD1-CD1 4.22Å; L217-L221 PolarHBondContact O-N 3.38Å; L221-K223 PolarHBondContact O-N 3.44Å; L221-K224 HydrophobicContact CB-CB 4.41Å; L221-K224 PolarHBondContact O-N 3.27Å; L221-F225 HydrophobicContact CB-CB 4.19Å
222R89.6Confident90.8Very high193 Ų19375.5 Ų75.573%0.72838%0.375SS*.G310 helixtrans41.7-91.9178.9-59.3-172.8179.6-160.81.2114.1K218 N219K218-R222 WeakPolarHBondContact O-CA 3.32Å; K218-R222 PolarHBondContact O-N 2.57Å; N219-R222 WeakPolarHBondContact O-CG 3.36Å; N219-R222 PolarHBondContact O-NE 3.19Å
223K86.1Confident90.9Very high123 Ų12371.1 Ų71.154%0.53535%0.348SS..G310 helixtrans-73.2-31.5179.6-67-175.3175.1-168.50112.3L221 F225 R230 Q251L221-K223 PolarHBondContact O-N 3.44Å; K223-F225 VanDerWaalsContact C-N 3.33Å; K223-R230 PolarHBondContact O-NH1 2.99Å; K223-R230 PolarHBondContact O-NH2 3.39Å; K223-Q251 VanDerWaalsContact NZ-NE2 3.12Å
224K89.6Confident90.9Very high90 Ų9068.6 Ų68.639%0.39134%0.34SS..G310 helixtrans-85.3-2.2-179.6-62.2-172.7170.7-171.40113.8A201 Y204 L221A201-K224 PolarHBondContact O-NZ 3.42Å; Y204-K224 HydrophobicContact CD2-CB 3.89Å; Y204-K224 HydrophobicContact CE2-CB 4.03Å; Y204-K224 HydrophobicContact CE2-CD 3.98Å; L221-K224 HydrophobicContact CB-CB 4.41Å; L221-K224 PolarHBondContact O-N 3.27Å
225F92.9Very high90.7Very high29 Ų2973.7 Ų73.713%0.12737%0.368CS..SBendtrans-64.6135.5-178.7-174.9-96.1000111.3I214 K218 L221 K223 K227I214-F225 HydrophobicContact CD1-CE2 4.04Å; I214-F225 HydrophobicContact CD1-CZ 4.07Å; I214-F225 HydrophobicContact CG1-CE2 3.97Å; I214-F225 HydrophobicContact CG1-CZ 4.02Å; K218-F225 HydrophobicContact CB-CD2 4.22Å; K218-F225 HydrophobicContact CB-CE2 4.2Å; L221-F225 HydrophobicContact CB-CB 4.19Å; K223-F225 VanDerWaalsContact C-N 3.33Å; F225-K227 PolarHBondContact O-N 2.92Å
226P92.8Very high90.6Very high4 Ų474.4 Ų74.43%0.02637%0.369CS..  trans-59.2130.5-179-23.832.5000112.9A206 L211 I214 T232 V233A206-P226 HydrophobicContact CB-CB 4.02Å; A206-P226 HydrophobicContact CB-CG 4.03Å; L211-P226 HydrophobicContact CD2-CB 4.4Å; I214-P226 HydrophobicContact CD1-CB 4.43Å; I214-P226 HydrophobicContact CD1-CG 3.9Å; P226-T232 WeakPolarHBondContact CA-OG1 3.49Å; P226-V233 HydrophobicContact CB-CG2 3.83Å
227K91.9Very high90.5Very high95 Ų9570.9 Ų70.941%0.41335%0.346SS..  trans-135.6136.6176.9-65.6179.9-173.2179.60110.9F225 K229 R230 G231 T232F225-K227 PolarHBondContact O-N 2.92Å; K227-K229 VanDerWaalsContact C-N 3.3Å; K227-K229 PolarHBondContact O-N 3.42Å; K227-R230 HydrophobicContact CB-CB 4.47Å; K227-R230 HydrophobicContact CB-CG 4.19Å; K227-R230 PolarHBondContact O-N 2.89Å; K227-G231 PolarHBondContact O-N 3.46Å; K227-T232 PolarHBondContact N-OG1 3.44Å; K227-T232 PolarHBondContact O-OG1 3.3Å
228S89.1Confident90.4Very high95 Ų9572.3 Ų72.366%0.66436%0.356SS*.G310 helixtrans-57.6-40.3176174.30000112.6R230 G231S228-R230 PolarHBondContact O-N 3.42Å; S228-R230 VanDerWaalsContact O-N 3.08Å; S228-G231 PolarHBondContact O-N 2.65Å
229K86.1Confident90.3Very high171 Ų17171.8 Ų71.874%0.74336%0.355SS*.G310 helixtrans-58.1-24.6175.3-72.4-169.4176.7-174.40114.2D145 K227D145-K229 IonicContact OD2-NZ 3Å; D145-K229 PolarHBondContact OD2-NZ 3.1Å; K227-K229 VanDerWaalsContact C-N 3.3Å; K227-K229 PolarHBondContact O-N 3.42Å
230R86.3Confident90.3Very high43 Ų4365.6 Ų65.616%0.16232%0.323CS..G310 helixtrans-92.5-6.3179-65.4-174.8179.1-1629.7113.2V148 K223 K227 S228 T232 E249V148-R230 HydrophobicContact CB-CG 4.46Å; K223-R230 PolarHBondContact O-NH1 2.99Å; K223-R230 PolarHBondContact O-NH2 3.39Å; K227-R230 HydrophobicContact CB-CB 4.47Å; K227-R230 HydrophobicContact CB-CG 4.19Å; K227-R230 PolarHBondContact O-N 2.89Å; S228-R230 PolarHBondContact O-N 3.42Å; S228-R230 VanDerWaalsContact O-N 3.08Å; R230-T232 HydrophobicContact CB-CG2 4.11Å; R230-T232 PolarHBondContact O-N 3.15Å; R230-E249 IonicContact NH1-OE1 3.66Å; R230-E249 PolarHBondContact NH1-OE1 2.98Å
231G87.3Confident90.2Very high32 Ų3262.7 Ų62.733%0.3331%0.31SS..THydrogen-bonded Turntrans70.712.7-173.700000114.2K227 S228 V233 T234K227-G231 PolarHBondContact O-N 3.46Å; S228-G231 PolarHBondContact O-N 2.65Å; G231-V233 VanDerWaalsContact C-N 3.3Å; G231-T234 VanDerWaalsContact O-CG2 3.24Å; G231-T234 WeakPolarHBondContact O-CG2 3.25Å
232T91.2Very high90.2Very high11 Ų1168.3 Ų68.37%0.06734%0.336CS..  trans-86-6.9173.864.50000112.4V205 A206 P226 K227 R230 F244V205-T232 WeakPolarHBondContact CA-O 3.44Å; A206-T232 PolarHBondContact N-O 2.95Å; P226-T232 WeakPolarHBondContact CA-OG1 3.49Å; K227-T232 PolarHBondContact N-OG1 3.44Å; K227-T232 PolarHBondContact O-OG1 3.3Å; R230-T232 HydrophobicContact CB-CG2 4.11Å; R230-T232 PolarHBondContact O-N 3.15Å; T232-F244 HydrophobicContact CG2-CE1 3.88Å; T232-F244 HydrophobicContact CG2-CE2 4.02Å; T232-F244 HydrophobicContact CG2-CZ 3.49Å; T232-F244 VanDerWaalsContact CG2-CZ 3.49Å
233V94Very high90.2Very high16 Ų1664 Ų6410%0.09733%0.327CS..BIsolated β-bridgetrans-109.4103.7172.5-179.10000107.3A206 P208 L211 P226 G231A206-V233 VanDerWaalsContact O-CA 3.27Å; A206-V233 WeakPolarHBondContact O-CA 3.3Å; P208-V233 HydrophobicContact CB-CG1 4.36Å; P208-V233 HydrophobicContact CG-CG1 3.92Å; L211-V233 HydrophobicContact CD1-CG1 3.78Å; L211-V233 HydrophobicContact CD1-CG2 4.2Å; L211-V233 HydrophobicContact CD2-CG1 4.46Å; L211-V233 HydrophobicContact CD2-CG2 3.84Å; L211-V233 HydrophobicContact CG-CG1 4.26Å; L211-V233 HydrophobicContact CG-CG2 4.48Å; P226-V233 HydrophobicContact CB-CG2 3.83Å; G231-V233 VanDerWaalsContact C-N 3.3Å
234T92.1Very high90.5Very high35 Ų3558.4 Ų58.422%0.21530%0.303CS..  trans-152.6143.7-169.547.90000111A206 G231A206-T234 PolarHBondContact O-N 3.17Å; G231-T234 VanDerWaalsContact O-CG2 3.24Å; G231-T234 WeakPolarHBondContact O-CG2 3.25Å
235N90.7Very high90.5Very high109 Ų10957.7 Ų57.758%0.58330%0.299SS*.SBendtrans-78.5-26169.4-60.4-5.5000111.3P208 I237P208-N235 WeakPolarHBondContact CD-OD1 3.32Å; P208-N235 WeakPolarHBondContact CG-OD1 3.31Å; N235-I237 PolarHBondContact O-N 3.49Å; N235-I237 VanDerWaalsContact O-N 3.15Å
236N90.6Very high90.3Very high96 Ų9659.7 Ų59.751%0.51331%0.314SS..  trans-86.281179.1-64.3-12.8000111S238 Q239 A240N236-S238 PolarHBondContact O-N 2.81Å; N236-Q239 PolarHBondContact ND2-OE1 3.44Å; N236-A240 PolarHBondContact O-N 2.83Å
237I90.3Very high90.1Very high5 Ų559.8 Ų59.83%0.02632%0.315CS..Hα-helixtrans-66.5-37.4-174-58.9165.2000112.2V166 T168 Q173 A177 V207 N235 Q239 A240 L241V166-I237 HydrophobicContact CG1-CD1 4.31Å; V166-I237 HydrophobicContact CG1-CG2 3.97Å; V166-I237 HydrophobicContact CG2-CG2 4.15Å; T168-I237 HydrophobicContact CG2-CD1 3.55Å; Q173-I237 HydrophobicContact CB-CD1 3.78Å; Q173-I237 HydrophobicContact CG-CD1 4.29Å; A177-I237 HydrophobicContact CB-CG2 3.92Å; V207-I237 HydrophobicContact CG2-CD1 4.34Å; N235-I237 PolarHBondContact O-N 3.49Å; N235-I237 VanDerWaalsContact O-N 3.15Å; I237-Q239 PolarHBondContact O-N 3.01Å; I237-A240 PolarHBondContact O-N 3.35Å; I237-L241 HydrophobicContact CG2-CD1 3.74Å; I237-L241 HydrophobicContact CG2-CG 3.98Å; I237-L241 WeakPolarHBondContact O-CB 3.28Å; I237-L241 VanDerWaalsContact O-CG 3.28Å; I237-L241 WeakPolarHBondContact O-CG 2.94Å; I237-L241 PolarHBondContact O-N 3.23Å
238S90Very high90Very high30 Ų3056.2 Ų56.221%0.2130%0.3CS..Hα-helixtrans-60.6-48.9-178.947.20000112.9N236 A240 L241 Q242N236-S238 PolarHBondContact O-N 2.81Å; S238-A240 VanDerWaalsContact C-N 3.34Å; S238-A240 PolarHBondContact O-N 3.22Å; S238-L241 PolarHBondContact O-N 3.37Å; S238-Q242 WeakPolarHBondContact O-CG 3.25Å; S238-Q242 PolarHBondContact O-N 3.42Å
239Q90.4Very high90.1Very high114 Ų11454.8 Ų54.853%0.53328%0.283SS..Hα-helixtrans-63.4-42.5178.8-69.1179-15.800111.1N236 I237 Q242 L243N236-Q239 PolarHBondContact ND2-OE1 3.44Å; I237-Q239 PolarHBondContact O-N 3.01Å; Q239-Q242 PolarHBondContact O-N 3.07Å; Q239-L243 WeakPolarHBondContact O-CG 3.16Å; Q239-L243 PolarHBondContact O-N 3.21Å; Q239-L243 VanDerWaalsContact O-N 3.11Å
240A91.3Very high90.4Very high5 Ų546.9 Ų46.94%0.04125%0.249CC..Hα-helixtrans-61.4-45.7175.500000111.4V205 N236 I237 S238 Q242 L243 F244V205-A240 HydrophobicContact CG1-CB 4.17Å; N236-A240 PolarHBondContact O-N 2.83Å; I237-A240 PolarHBondContact O-N 3.35Å; S238-A240 VanDerWaalsContact C-N 3.34Å; S238-A240 PolarHBondContact O-N 3.22Å; A240-Q242 PolarHBondContact O-N 2.98Å; A240-L243 PolarHBondContact O-N 3.01Å; A240-F244 HydrophobicContact CB-CD2 4.15Å; A240-F244 HydrophobicContact CB-CE2 4.09Å; A240-F244 WeakPolarHBondContact O-CD2 3.5Å; A240-F244 PolarHBondContact O-N 3.35Å
241L92.1Very high90.7Very high5 Ų547.7 Ų47.73%0.02625%0.254CS..Hα-helixtrans-60.7-44.5178.6-75.5175000112.3V164 V166 A177 N180 A182 I237 S238 L243 F244 K245V164-L241 HydrophobicContact CB-CD2 3.9Å; V164-L241 HydrophobicContact CG1-CD2 3.63Å; V166-L241 HydrophobicContact CG2-CD2 3.74Å; V166-L241 HydrophobicContact CG2-CG 4.37Å; A177-L241 HydrophobicContact CB-CD1 4.43Å; N180-L241 HydrophobicContact CB-CD1 3.61Å; A182-L241 HydrophobicContact CB-CD1 4.18Å; A182-L241 HydrophobicContact CB-CD2 3.98Å; I237-L241 HydrophobicContact CG2-CD1 3.74Å; I237-L241 HydrophobicContact CG2-CG 3.98Å; I237-L241 WeakPolarHBondContact O-CB 3.28Å; I237-L241 VanDerWaalsContact O-CG 3.28Å; I237-L241 WeakPolarHBondContact O-CG 2.94Å; I237-L241 PolarHBondContact O-N 3.23Å; S238-L241 PolarHBondContact O-N 3.37Å; L241-L243 VanDerWaalsContact C-N 3.32Å; L241-L243 PolarHBondContact O-N 3.49Å; L241-F244 PolarHBondContact O-N 3.21Å; L241-K245 WeakPolarHBondContact O-CB 3.43Å; L241-K245 PolarHBondContact O-N 3.4Å
242Q90Very high90.9Very high133 Ų13346.8 Ų46.862%0.62124%0.242SC*.Hα-helixtrans-60.2-43.1177.2-72.3176-6.900111.9S238 Q239 A240 T246S238-Q242 WeakPolarHBondContact O-CG 3.25Å; S238-Q242 PolarHBondContact O-N 3.42Å; Q239-Q242 PolarHBondContact O-N 3.07Å; A240-Q242 PolarHBondContact O-N 2.98Å; Q242-T246 PolarHBondContact O-OG1 3.09Å
243L90.1Very high90.7Very high102 Ų10250.6 Ų50.653%0.53426%0.259SS..Hα-helixtrans-66.9-48178-73.7174000112.4Q239 A240 L241 G247Q239-L243 WeakPolarHBondContact O-CG 3.16Å; Q239-L243 PolarHBondContact O-N 3.21Å; Q239-L243 VanDerWaalsContact O-N 3.11Å; A240-L243 PolarHBondContact O-N 3.01Å; L241-L243 VanDerWaalsContact C-N 3.32Å; L241-L243 PolarHBondContact O-N 3.49Å; L243-G247 WeakPolarHBondContact O-CA 3.48Å; L243-G247 PolarHBondContact O-N 3.34Å
244F91.5Very high89.9Confident7 Ų755.2 Ų55.23%0.03129%0.292CS..Hα-helixtrans-79.6-25.7-173.8-67.5-62.3000113.7T150 N162 V164 F203 V205 T232 A240 L241 T246T150-F244 HydrophobicContact CG2-CD1 3.93Å; T150-F244 HydrophobicContact CG2-CE1 4.06Å; N162-F244 WeakPolarHBondContact CB-O 3.39Å; N162-F244 PolarHBondContact ND2-O 2.97Å; V164-F244 HydrophobicContact CG1-CB 4.49Å; V164-F244 HydrophobicContact CG2-CB 3.96Å; F203-F244 HydrophobicContact CB-CB 4.13Å; F203-F244 HydrophobicContact CB-CG 4.42Å; F203-F244 HydrophobicContact CD1-CB 4.41Å; F203-F244 AromaticContact CD1-CD1 3.57Å; F203-F244 HydrophobicContact CD1-CD1 3.57Å; F203-F244 HydrophobicContact CD1-CE1 4.23Å; F203-F244 HydrophobicContact CD1-CG 4.24Å; F203-F244 HydrophobicContact CD2-CB 4.29Å; F203-F244 AromaticContact CE1-CD1 3.9Å; F203-F244 HydrophobicContact CE1-CD1 3.9Å; F203-F244 HydrophobicContact CE1-CE1 4.48Å; F203-F244 HydrophobicContact CG-CB 4.01Å; F203-F244 HydrophobicContact CG-CD1 4.05Å; F203-F244 HydrophobicContact CG-CG 4.28Å; V205-F244 HydrophobicContact CG2-CD2 3.74Å; V205-F244 HydrophobicContact CG2-CE2 4.15Å; T232-F244 HydrophobicContact CG2-CE1 3.88Å; T232-F244 HydrophobicContact CG2-CE2 4.02Å; T232-F244 HydrophobicContact CG2-CZ 3.49Å; T232-F244 VanDerWaalsContact CG2-CZ 3.49Å; A240-F244 HydrophobicContact CB-CD2 4.15Å; A240-F244 HydrophobicContact CB-CE2 4.09Å; A240-F244 WeakPolarHBondContact O-CD2 3.5Å; A240-F244 PolarHBondContact O-N 3.35Å; L241-F244 PolarHBondContact O-N 3.21Å; F244-T246 VanDerWaalsContact C-N 3.33Å; F244-T246 PolarHBondContact O-N 3.46Å
245K89.4Confident89.5Confident74 Ų7459 Ų5932%0.32231%0.311SS..Hα-helixtrans-63.8-38.4178.3-174.1174.3-175.9175.70112.9M161 N162 L241M161-K245 HydrophobicContact CB-CG 4.37Å; M161-K245 HydrophobicContact SD-CD 4.41Å; M161-K245 WeakPolarHBondContact SD-CE 3.42Å; M161-K245 HydrophobicContact SD-CG 4.37Å; N162-K245 PolarHBondContact N-O 2.8Å; L241-K245 WeakPolarHBondContact O-CB 3.43Å; L241-K245 PolarHBondContact O-N 3.4Å
246T88.6Confident89.4Confident72 Ų7255.6 Ų55.644%0.44230%0.295SS..Hα-helixtrans-111-3178.859.90000113H152 Q242 F244H152-T246 PolarHBondContact CE1-OG1 3.06Å; H152-T246 PolarHBondContact ND1-OG1 3.33Å; Q242-T246 PolarHBondContact O-OG1 3.09Å; F244-T246 VanDerWaalsContact C-N 3.33Å; F244-T246 PolarHBondContact O-N 3.46Å
247G88.7Confident89.5Confident5 Ų553.5 Ų53.55%0.05228%0.282CS..EExtended strand (participates in β ladder)trans-70138.5-173.700000112.5N162 L243N162-G247 PolarHBondContact ND2-O 3.26Å; L243-G247 WeakPolarHBondContact O-CA 3.48Å; L243-G247 PolarHBondContact O-N 3.34Å
248H91.4Very high89.6Confident20 Ų2053.4 Ų53.49%0.09328%0.281CS..EExtended strand (participates in β ladder)trans-97.9116.1170.3-169.483.1000109.5T150 V151 L153 F157 T260 Q261T150-H248 WeakPolarHBondContact CA-O 3.49Å; V151-H248 PolarHBondContact N-O 3.48Å; V151-H248 WeakPolarHBondContact O-CB 3.29Å; V151-H248 PolarHBondContact O-N 3.32Å; L153-H248 HydrophobicContact CD1-CB 3.69Å; L153-H248 HydrophobicContact CD2-CB 4.48Å; L153-H248 HydrophobicContact CG-CB 3.76Å; F157-H248 AromaticContact CZ-CE1 3.92Å; F157-H248 AromaticContact CZ-ND1 3.99Å; H248-T260 WeakPolarHBondContact NE2-CG2 3.17Å; H248-Q261 PolarHBondContact CE1-O 3.37Å; H248-Q261 PolarHBondContact NE2-O 3.02Å; H248-Q261 VanDerWaalsContact NE2-O 3.11Å
249E91.1Very high89.8Confident66 Ų6658.8 Ų58.831%0.30830%0.297SS..EExtended strand (participates in β ladder)trans-87.9132.4178.2-173.4-179.7-159.100110.9V148 S149 F203 R230V148-E249 HydrophobicContact CG1-CG 3.61Å; V148-E249 WeakPolarHBondContact CG1-OE1 3.48Å; S149-E249 WeakPolarHBondContact O-CA 3.34Å; F203-E249 HydrophobicContact CE1-CB 3.94Å; F203-E249 HydrophobicContact CE1-CG 4.37Å; F203-E249 HydrophobicContact CZ-CB 3.85Å; R230-E249 IonicContact NH1-OE1 3.66Å; R230-E249 PolarHBondContact NH1-OE1 2.98Å
250Y92.6Very high90Very high5 Ų553.7 Ų53.72%0.0227%0.274CS..EExtended strand (participates in β ladder)trans-131.3150.7167.171.9-93.2000111.2F147 V148 S149 V151 V258 T260 D282 V283F147-Y250 AromaticContact CE2-CE2 3.77Å; F147-Y250 HydrophobicContact CE2-CE2 3.77Å; F147-Y250 HydrophobicContact CZ-CE2 4.4Å; V148-Y250 WeakPolarHBondContact CA-O 3.2Å; S149-Y250 VanDerWaalsContact CB-CZ 3.47Å; S149-Y250 WeakPolarHBondContact CB-OH 3.44Å; S149-Y250 PolarHBondContact N-O 2.8Å; S149-Y250 PolarHBondContact O-N 3.32Å; V151-Y250 HydrophobicContact CG2-CD1 4.42Å; V151-Y250 HydrophobicContact CG2-CE1 3.7Å; Y250-V258 HydrophobicContact CD2-CG1 3.55Å; Y250-V258 HydrophobicContact CD2-CG2 4.41Å; Y250-V258 HydrophobicContact CE2-CG1 4.28Å; Y250-V258 HydrophobicContact CG-CG1 4.22Å; Y250-T260 WeakPolarHBondContact CB-OG1 3.33Å; Y250-D282 WeakPolarHBondContact CE1-OD2 3.28Å; Y250-D282 PolarHBondContact OH-OD2 3.44Å; Y250-V283 HydrophobicContact CE1-CG2 4.34Å; Y250-V283 HydrophobicContact CE2-CG2 3.59Å; Y250-V283 VanDerWaalsContact CZ-CG2 3.48Å; Y250-V283 VanDerWaalsContact OH-CG2 3.3Å; Y250-V283 WeakPolarHBondContact OH-CG2 3.44Å; Y250-V283 PolarHBondContact OH-N 2.7Å
251Q91.3Very high90.1Very high60 Ų6055.6 Ų55.628%0.2828%0.282SS..EExtended strand (participates in β ladder)trans-128.9149.7-177.869.7-171.5-25.300111.4V148 K223V148-Q251 HydrophobicContact CB-CB 4.35Å; V148-Q251 HydrophobicContact CG1-CB 4.15Å; V148-Q251 HydrophobicContact CG2-CB 3.66Å; K223-Q251 VanDerWaalsContact NZ-NE2 3.12Å
252V90.9Very high90.2Very high12 Ų1255.3 Ų55.37%0.07328%0.281CS..BIsolated β-bridgetrans-82.8121.5166.9-171.50000109.1L134 M136 P146 F147 V258L134-V252 HydrophobicContact CD1-CG2 4.05Å; M136-V252 HydrophobicContact CE-CG1 4.13Å; M136-V252 HydrophobicContact SD-CG1 3.59Å; M136-V252 VanDerWaalsContact SD-CG1 3.59Å; P146-V252 HydrophobicContact CB-CB 4.31Å; F147-V252 HydrophobicContact CD1-CG2 3.9Å; F147-V252 HydrophobicContact CD2-CG2 4.42Å; F147-V252 HydrophobicContact CE1-CG2 3.71Å; F147-V252 HydrophobicContact CE2-CG2 4.25Å; F147-V252 HydrophobicContact CG-CG2 4.25Å; F147-V252 HydrophobicContact CZ-CG2 3.9Å; F147-V252 PolarHBondContact O-N 3.43Å; V252-V258 HydrophobicContact CB-CG2 4.32Å; V252-V258 HydrophobicContact CG2-CG2 3.76Å
253E87.7Confident90.4Very high92 Ų9249 Ų4943%0.4325%0.251SS..  trans-77.2168.4173.9-61.8-170.7164.800111.5D255 C256 F257E253-D255 PolarHBondContact O-N 2.91Å; E253-C256 PolarHBondContact O-N 3.37Å; E253-C256 VanDerWaalsContact O-N 3.09Å; E253-F257 PolarHBondContact N-O 2.94Å
254S77.6Confident90.6Very high113 Ų11345.5 Ų45.579%0.7923%0.234SC*.THydrogen-bonded Turntrans-56.3-29.1-173.648.20000114.2C256S254-C256 VanDerWaalsContact C-N 3.31Å; S254-C256 PolarHBondContact O-N 3.01Å
255D82.7Confident90.7Very high113 Ų11345.5 Ų45.560%0.60423%0.234SC*.THydrogen-bonded Turntrans-94.821-176-66.7-19000113.1E253 F257E253-D255 PolarHBondContact O-N 2.91Å; D255-F257 HydrophobicContact CB-CD2 3.55Å; D255-F257 HydrophobicContact CB-CE2 3.76Å; D255-F257 WeakPolarHBondContact O-CD2 3.44Å; D255-F257 PolarHBondContact O-N 3.4Å
256C88.8Confident90.9Very high38 Ų3847.7 Ų47.726%0.25725%0.25SC..SBendtrans62.426.3-177.6-48.20000113.2L134 M136 E253 S254L134-C256 PolarHBondContact N-O 3.32Å; L134-C256 VanDerWaalsContact O-CB 3.3Å; L134-C256 WeakPolarHBondContact O-CB 3.37Å; M136-C256 HydrophobicContact CG-CB 3.91Å; M136-C256 HydrophobicContact SD-CB 3.79Å; E253-C256 PolarHBondContact O-N 3.37Å; E253-C256 VanDerWaalsContact O-N 3.09Å; S254-C256 VanDerWaalsContact C-N 3.31Å; S254-C256 PolarHBondContact O-N 3.01Å
257F92.4Very high91.1Very high53 Ų5345.1 Ų45.123%0.23223%0.233CC..EExtended strand (participates in β ladder)trans-97.3144.1173.4-67.8-70.7000110.9L132 K133 E253 D255L132-F257 CarbonylContact O-C 3.48Å; L132-F257 VanDerWaalsContact O-CA 3.27Å; L132-F257 WeakPolarHBondContact O-CA 3.24Å; K133-F257 HydrophobicContact CB-CD1 3.89Å; K133-F257 HydrophobicContact CB-CE1 3.57Å; K133-F257 HydrophobicContact CD-CE1 3.7Å; K133-F257 HydrophobicContact CD-CZ 3.93Å; K133-F257 HydrophobicContact CG-CD1 3.96Å; K133-F257 HydrophobicContact CG-CE1 3.41Å; K133-F257 VanDerWaalsContact CG-CE1 3.41Å; K133-F257 HydrophobicContact CG-CZ 3.97Å; E253-F257 PolarHBondContact N-O 2.94Å; D255-F257 HydrophobicContact CB-CD2 3.55Å; D255-F257 HydrophobicContact CB-CE2 3.76Å; D255-F257 WeakPolarHBondContact O-CD2 3.44Å; D255-F257 PolarHBondContact O-N 3.4Å
258V94.1Very high91.4Very high2 Ų247.9 Ų47.91%0.01225%0.25CC..EExtended strand (participates in β ladder)trans-116.8114.2165.91740000106.7D131 L132 L134 Y250 V252 T260D131-V258 CarbonylContact C-O 3.33Å; D131-V258 WeakPolarHBondContact CA-O 3.21Å; L132-V258 HydrophobicContact CB-CB 4.3Å; L132-V258 PolarHBondContact N-O 3.25Å; L132-V258 PolarHBondContact O-N 2.73Å; L134-V258 HydrophobicContact CD1-CG2 3.56Å; L134-V258 HydrophobicContact CG-CG2 4.25Å; Y250-V258 HydrophobicContact CD2-CG1 3.55Å; Y250-V258 HydrophobicContact CD2-CG2 4.41Å; Y250-V258 HydrophobicContact CE2-CG1 4.28Å; Y250-V258 HydrophobicContact CG-CG1 4.22Å; V252-V258 HydrophobicContact CB-CG2 4.32Å; V252-V258 HydrophobicContact CG2-CG2 3.76Å; V258-T260 VanDerWaalsContact CG1-OG1 3.29Å; V258-T260 WeakPolarHBondContact CG1-OG1 3.46Å
259R93.6Very high91.6Very high143 Ų14348.5 Ų48.554%0.5426%0.256SS..EExtended strand (participates in β ladder)trans-112.1118.4174176.1161.5-171.6-167.42.9109.4I130 D131I130-R259 WeakPolarHBondContact O-CA 3.43Å; D131-R259 WeakPolarHBondContact OD1-CB 3.47Å; D131-R259 WeakPolarHBondContact OD1-CD 3.47Å; D131-R259 WeakPolarHBondContact OD1-CG 3.44Å; D131-R259 IonicContact OD1-NE 2.67Å
260T94.3Very high91.8Very high8 Ų853.2 Ų53.25%0.04928%0.278CS..EExtended strand (participates in β ladder)trans-146.7139.8-169.2-51.10000111.1Y129 I130 H248 Y250 V258Y129-T260 WeakPolarHBondContact CA-O 3.29Å; I130-T260 PolarHBondContact N-O 3.06Å; I130-T260 PolarHBondContact O-N 3.39Å; H248-T260 WeakPolarHBondContact NE2-CG2 3.17Å; Y250-T260 WeakPolarHBondContact CB-OG1 3.33Å; V258-T260 VanDerWaalsContact CG1-OG1 3.29Å; V258-T260 WeakPolarHBondContact CG1-OG1 3.46Å
261Q94.5Very high91.9Very high44 Ų4456.3 Ų56.321%0.20629%0.293CS..EExtended strand (participates in β ladder)trans-82.3130172.4-175.6-174.7-4.300110P127 V128 Y129 F157 H248P127-Q261 HydrophobicContact CB-CG 3.94Å; V128-Q261 WeakPolarHBondContact O-CA 3.32Å; Y129-Q261 HydrophobicContact CD1-CB 3.93Å; Y129-Q261 HydrophobicContact CE1-CB 3.8Å; Y129-Q261 HydrophobicContact CE1-CG 4.32Å; F157-Q261 HydrophobicContact CE2-CG 3.88Å; F157-Q261 HydrophobicContact CZ-CB 4.22Å; F157-Q261 HydrophobicContact CZ-CG 3.8Å; H248-Q261 PolarHBondContact CE1-O 3.37Å; H248-Q261 PolarHBondContact NE2-O 3.02Å; H248-Q261 VanDerWaalsContact NE2-O 3.11Å
262I93.9Very high92.1Very high0 Ų053.5 Ų53.50%028%0.28CS..EExtended strand (participates in β ladder)trans-108.2-28.7-174.761.9162.6000114.2V128 I130 F157 I272 N275 L276 I279 M300V128-I262 HydrophobicContact CB-CD1 4.41Å; V128-I262 HydrophobicContact CB-CG1 4.01Å; V128-I262 HydrophobicContact CG1-CD1 3.8Å; V128-I262 HydrophobicContact CG1-CG1 3.87Å; V128-I262 WeakPolarHBondContact O-CG1 3.45Å; V128-I262 PolarHBondContact O-N 3.2Å; I130-I262 HydrophobicContact CB-CG2 4.26Å; I130-I262 HydrophobicContact CD1-CB 4.24Å; I130-I262 HydrophobicContact CD1-CD1 3.61Å; I130-I262 HydrophobicContact CD1-CG1 4.22Å; I130-I262 HydrophobicContact CD1-CG2 3.35Å; I130-I262 HydrophobicContact CG1-CB 4.42Å; I130-I262 HydrophobicContact CG1-CD1 3.68Å; I130-I262 HydrophobicContact CG1-CG1 4.07Å; I130-I262 HydrophobicContact CG1-CG2 3.56Å; F157-I262 VanDerWaalsContact CD1-O 3.31Å; F157-I262 WeakPolarHBondContact CD1-O 3.49Å; F157-I262 VanDerWaalsContact CE1-C 3.45Å; F157-I262 WeakPolarHBondContact CE1-O 3.36Å; I262-I272 HydrophobicContact CD1-CG2 3.9Å; I262-N275 PolarHBondContact O-ND2 3.18Å; I262-L276 HydrophobicContact CD1-CB 4.24Å; I262-L276 HydrophobicContact CD1-CD1 4.06Å; I262-I279 HydrophobicContact CB-CD1 4.17Å; I262-I279 HydrophobicContact CG2-CD1 3.37Å; I262-M300 HydrophobicContact CD1-CE 4.02Å
263A94.4Very high92.3Very high0 Ų055.7 Ų55.70%029%0.288CS..EExtended strand (participates in β ladder)trans-168.1178-170.900000110.2V128 M267 I272V128-A263 PolarHBondContact N-O 2.65Å; A263-M267 HydrophobicContact CB-SD 3.79Å; A263-I272 HydrophobicContact CB-CB 4.28Å; A263-I272 HydrophobicContact CB-CG1 3.79Å; A263-I272 HydrophobicContact CB-CG2 4.04Å
264T93.6Very high92.6Very high28 Ų2852.5 Ų52.517%0.17228%0.278CS..EExtended strand (participates in β ladder)trans-109.7154.6162.150.60000109.8Q126 D266 M267Q126-T264 CarbonylContact O-C 3.38Å; Q126-T264 VanDerWaalsContact O-CA 3.25Å; Q126-T264 WeakPolarHBondContact O-CA 3.47Å; T264-D266 PolarHBondContact O-N 2.84Å; T264-M267 WeakPolarHBondContact O-CB 3.48Å; T264-M267 PolarHBondContact O-N 2.86Å
265L93.3Very high93.4Very high7 Ų747.1 Ų47.14%0.03724%0.241CC..THydrogen-bonded Turntrans-67.7-21.8-176.8-75-179.8000113.8L113 K114 Q117 A124 Q126 V128 M267L113-L265 HydrophobicContact CB-CD2 3.97Å; K114-L265 WeakPolarHBondContact CE-O 3.28Å; K114-L265 HydrophobicContact CG-CD2 4.14Å; Q117-L265 HydrophobicContact CB-CD1 3.61Å; Q117-L265 HydrophobicContact CG-CD1 3.88Å; A124-L265 CarbonylContact O-C 3.55Å; A124-L265 WeakPolarHBondContact O-CB 3.29Å; Q126-L265 HydrophobicContact CB-CD1 3.92Å; Q126-L265 HydrophobicContact CB-CG 4.31Å; Q126-L265 PolarHBondContact O-N 3.35Å; V128-L265 HydrophobicContact CG2-CD2 3.34Å; V128-L265 HydrophobicContact CG2-CG 3.66Å; L265-M267 PolarHBondContact O-N 3.46Å
266D92.7Very high94Very high121 Ų12141.8 Ų41.865%0.64721%0.212SC*.THydrogen-bonded Turntrans-63.4-25.6175-16838.6000113A124 T264A124-D266 PolarHBondContact O-N 2.96Å; T264-D266 PolarHBondContact O-N 2.84Å
267M94.1Very high94.2Very high18 Ų1843 Ų439%0.08921%0.214CC..SBendtrans-67.6149.2179.3-61.4-179.67700112.1K114 H155 F157 A263 T264 L265 Q271 I272K114-M267 VanDerWaalsContact CE-O 3.25Å; K114-M267 WeakPolarHBondContact CE-O 3.13Å; K114-M267 PolarHBondContact NZ-O 2.69Å; H155-M267 HydrophobicContact CB-CE 3.67Å; F157-M267 HydrophobicContact CB-CE 4.49Å; F157-M267 HydrophobicContact CB-SD 3.63Å; A263-M267 HydrophobicContact CB-SD 3.79Å; T264-M267 WeakPolarHBondContact O-CB 3.48Å; T264-M267 PolarHBondContact O-N 2.86Å; L265-M267 PolarHBondContact O-N 3.46Å; M267-Q271 HydrophobicContact CE-CB 4.09Å; M267-I272 HydrophobicContact CB-CD1 4.29Å; M267-I272 HydrophobicContact CB-CG1 3.91Å
268P94.9Very high94.3Very high62 Ų6241.7 Ų41.740%0.40321%0.213SC..  trans-63.3148.7174.328.4-36.1000111.5E270 Q271 I272P268-E270 PolarHBondContact O-N 3.3Å; P268-Q271 HydrophobicContact CG-CB 3.96Å; P268-Q271 HydrophobicContact CG-CG 3.55Å; P268-Q271 PolarHBondContact O-N 3.11Å; P268-Q271 VanDerWaalsContact O-N 3.08Å; P268-I272 PolarHBondContact O-N 2.97Å
269S94.9Very high94.2Very high34 Ų3441.7 Ų41.724%0.23821%0.213CC..Hα-helixtrans-61.4-33-169.9-59.10000112.3D111 K114 I272 F273D111-S269 PolarHBondContact OD1-OG 2.92Å; D111-S269 VanDerWaalsContact OD1-OG 3.09Å; K114-S269 PolarHBondContact NZ-OG 2.96Å; S269-I272 PolarHBondContact O-N 3.34Å; S269-F273 WeakPolarHBondContact O-CB 3.35Å; S269-F273 PolarHBondContact O-N 3.11Å
270E94.9Very high94.2Very high165 Ų16534.9 Ų34.977%0.77119%0.187SC*.Hα-helixtrans-63-41.9176.7-62.1175.7-174.900112.6P268 F273 A274P268-E270 PolarHBondContact O-N 3.3Å; E270-F273 PolarHBondContact O-N 3.1Å; E270-A274 PolarHBondContact O-N 2.99Å
271Q95.1Very high94.1Very high69 Ų6937.4 Ų37.432%0.32220%0.202SC..Hα-helixtrans-69.6-38.6179.2-69.6178.27.600111.5H155 M267 P268 F273 A274 N275H155-Q271 HydrophobicContact CB-CB 4.1Å; H155-Q271 HydrophobicContact CB-CG 4.4Å; M267-Q271 HydrophobicContact CE-CB 4.09Å; P268-Q271 HydrophobicContact CG-CB 3.96Å; P268-Q271 HydrophobicContact CG-CG 3.55Å; P268-Q271 PolarHBondContact O-N 3.11Å; P268-Q271 VanDerWaalsContact O-N 3.08Å; Q271-F273 VanDerWaalsContact C-N 3.3Å; Q271-F273 PolarHBondContact O-N 3.49Å; Q271-A274 PolarHBondContact O-N 3.43Å; Q271-N275 PolarHBondContact O-N 2.85Å
272I94.9Very high93.9Very high1 Ų136.8 Ų36.81%0.00520%0.201CC..Hα-helixtrans-61.5-43.7174.3-58.4176.4000109.8I110 I262 A263 M267 P268 S269 N275 L276I110-I272 HydrophobicContact CD1-CB 4.26Å; I110-I272 HydrophobicContact CD1-CG2 3.94Å; I110-I272 HydrophobicContact CG1-CG2 4Å; I110-I272 HydrophobicContact CG2-CB 4.27Å; I110-I272 HydrophobicContact CG2-CD1 4.01Å; I110-I272 HydrophobicContact CG2-CG2 4.25Å; I262-I272 HydrophobicContact CD1-CG2 3.9Å; A263-I272 HydrophobicContact CB-CB 4.28Å; A263-I272 HydrophobicContact CB-CG1 3.79Å; A263-I272 HydrophobicContact CB-CG2 4.04Å; M267-I272 HydrophobicContact CB-CD1 4.29Å; M267-I272 HydrophobicContact CB-CG1 3.91Å; P268-I272 PolarHBondContact O-N 2.97Å; S269-I272 PolarHBondContact O-N 3.34Å; I272-N275 PolarHBondContact O-N 3.32Å; I272-L276 WeakPolarHBondContact O-CB 3.5Å; I272-L276 PolarHBondContact O-N 3.09Å
273F95Very high93.8Very high58 Ų5836.8 Ų36.825%0.25420%0.201SC..Hα-helixtrans-63.2-44.5177.8-173.8-88.9000112.1A106 I110 S269 E270 Q271 N275 L276 Q277 V315A106-F273 HydrophobicContact CB-CD2 4.32Å; A106-F273 HydrophobicContact CB-CE2 3.97Å; I110-F273 HydrophobicContact CD1-CB 3.91Å; I110-F273 HydrophobicContact CD1-CD2 4.2Å; S269-F273 WeakPolarHBondContact O-CB 3.35Å; S269-F273 PolarHBondContact O-N 3.11Å; E270-F273 PolarHBondContact O-N 3.1Å; Q271-F273 VanDerWaalsContact C-N 3.3Å; Q271-F273 PolarHBondContact O-N 3.49Å; F273-N275 PolarHBondContact O-N 3.15Å; F273-L276 WeakPolarHBondContact O-CB 3.33Å; F273-L276 PolarHBondContact O-N 3.32Å; F273-Q277 PolarHBondContact O-N 2.99Å; F273-V315 HydrophobicContact CE1-CG1 4.29Å; F273-V315 HydrophobicContact CE2-CB 4.47Å; F273-V315 HydrophobicContact CE2-CG1 4.25Å; F273-V315 HydrophobicContact CE2-CG2 3.86Å; F273-V315 HydrophobicContact CZ-CB 4.26Å; F273-V315 HydrophobicContact CZ-CG1 3.92Å; F273-V315 HydrophobicContact CZ-CG2 4.12Å
274A94.8Very high93.5Very high26 Ų2638.5 Ų38.522%0.21521%0.212CC..Hα-helixtrans-62.5-41.3177.500000112.6P154 E270 Q271 L276 Q277 A278P154-A274 HydrophobicContact CG-CB 4.21Å; E270-A274 PolarHBondContact O-N 2.99Å; Q271-A274 PolarHBondContact O-N 3.43Å; A274-L276 VanDerWaalsContact C-N 3.35Å; A274-Q277 PolarHBondContact O-N 3.41Å; A274-A278 PolarHBondContact O-N 3.25Å
275N95.1Very high93.2Very high0 Ų041 Ų410%023%0.231CC..Hα-helixtrans-62.4-42.7173.6-76.9-4.2000112.1L153 P154 H155 I262 Q271 I272 F273 Q277 A278 I279L153-N275 HydrophobicContact CD2-CB 4.35Å; P154-N275 VanDerWaalsContact CD-OD1 3.28Å; P154-N275 WeakPolarHBondContact CD-OD1 3.42Å; P154-N275 WeakPolarHBondContact CG-OD1 3.31Å; H155-N275 WeakPolarHBondContact CB-OD1 3.23Å; H155-N275 PolarHBondContact N-OD1 3.03Å; H155-N275 PolarHBondContact O-ND2 2.73Å; H155-N275 PolarHBondContact O-OD1 2.92Å; I262-N275 PolarHBondContact O-ND2 3.18Å; Q271-N275 PolarHBondContact O-N 2.85Å; I272-N275 PolarHBondContact O-N 3.32Å; F273-N275 PolarHBondContact O-N 3.15Å; N275-Q277 VanDerWaalsContact C-N 3.33Å; N275-Q277 PolarHBondContact O-N 2.88Å; N275-A278 PolarHBondContact O-N 3.34Å; N275-I279 PolarHBondContact O-N 3.47Å
276L94.4Very high92.7Very high0 Ų046.1 Ų46.10%025%0.249CC..Hα-helixtrans-61.5-42.9176.9-171.9152.1000111I130 I262 I272 F273 A274 I279 L280 M300 F310 V315I130-L276 HydrophobicContact CD1-CB 4.19Å; I130-L276 HydrophobicContact CD1-CD1 3.46Å; I130-L276 VanDerWaalsContact CD1-CD1 3.46Å; I130-L276 HydrophobicContact CD1-CG 3.44Å; I130-L276 VanDerWaalsContact CD1-CG 3.44Å; I130-L276 HydrophobicContact CG1-CD1 4.32Å; I262-L276 HydrophobicContact CD1-CB 4.24Å; I262-L276 HydrophobicContact CD1-CD1 4.06Å; I272-L276 WeakPolarHBondContact O-CB 3.5Å; I272-L276 PolarHBondContact O-N 3.09Å; F273-L276 WeakPolarHBondContact O-CB 3.33Å; F273-L276 PolarHBondContact O-N 3.32Å; A274-L276 VanDerWaalsContact C-N 3.35Å; L276-I279 PolarHBondContact O-N 2.93Å; L276-L280 HydrophobicContact CD2-CD1 3.44Å; L276-L280 VanDerWaalsContact CD2-CD1 3.44Å; L276-L280 HydrophobicContact CD2-CG 4.06Å; L276-L280 WeakPolarHBondContact O-CG 3.49Å; L276-L280 PolarHBondContact O-N 2.95Å; L276-M300 HydrophobicContact CD1-CE 3.7Å; L276-M300 HydrophobicContact CD1-CG 4.41Å; L276-M300 HydrophobicContact CD1-SD 3.64Å; L276-F310 HydrophobicContact CD1-CE2 4.33Å; L276-F310 HydrophobicContact CD1-CZ 4.17Å; L276-F310 HydrophobicContact CD2-CE2 4.16Å; L276-F310 HydrophobicContact CD2-CZ 4.49Å; L276-V315 HydrophobicContact CD2-CB 4.03Å; L276-V315 HydrophobicContact CD2-CG1 3.54Å; L276-V315 HydrophobicContact CD2-CG2 3.74Å
277Q93.9Very high92.2Very high64 Ų6441.6 Ų41.630%0.29922%0.223SC..Hα-helixtrans-62.5-42.9176.8-173.4175.820.300112.5F273 A274 N275 I279 L280 T281 V315F273-Q277 PolarHBondContact O-N 2.99Å; A274-Q277 PolarHBondContact O-N 3.41Å; N275-Q277 VanDerWaalsContact C-N 3.33Å; N275-Q277 PolarHBondContact O-N 2.88Å; Q277-I279 PolarHBondContact O-N 3.08Å; Q277-L280 PolarHBondContact O-N 3.01Å; Q277-T281 WeakPolarHBondContact O-CB 3.4Å; Q277-T281 PolarHBondContact O-N 3.02Å; Q277-T281 PolarHBondContact O-OG1 3.2Å; Q277-V315 HydrophobicContact CB-CG1 3.67Å; Q277-V315 HydrophobicContact CG-CG1 4.03Å; Q277-V315 WeakPolarHBondContact CG-O 3.45Å; Q277-V315 PolarHBondContact NE2-O 3Å
278A93.6Very high91.1Very high25 Ų2544.5 Ų44.521%0.20724%0.244CC..Hα-helixtrans-59.2-45.6177.300000111.8P154 A274 N275 D282P154-A278 HydrophobicContact CG-CB 4.46Å; A274-A278 PolarHBondContact O-N 3.25Å; N275-A278 PolarHBondContact O-N 3.34Å; A278-D282 PolarHBondContact O-N 3.34Å; A278-D282 VanDerWaalsContact O-N 3.1Å
279I93.4Very high89.9Confident2 Ų246.3 Ų46.31%0.0126%0.264CS..Hα-helixtrans-66.3-47.6178.6-67.5167.9000111.2L153 I262 N275 L276 Q277 T281 D282 V283L153-I279 HydrophobicContact CD2-CD1 3.87Å; L153-I279 HydrophobicContact CD2-CG1 3.8Å; I262-I279 HydrophobicContact CB-CD1 4.17Å; I262-I279 HydrophobicContact CG2-CD1 3.37Å; N275-I279 PolarHBondContact O-N 3.47Å; L276-I279 PolarHBondContact O-N 2.93Å; Q277-I279 PolarHBondContact O-N 3.08Å; I279-T281 VanDerWaalsContact C-N 3.29Å; I279-T281 PolarHBondContact O-N 3.18Å; I279-D282 PolarHBondContact O-N 2.98Å; I279-V283 HydrophobicContact CG2-CG2 4.15Å; I279-V283 WeakPolarHBondContact O-CB 3.48Å; I279-V283 VanDerWaalsContact O-CG2 3.24Å; I279-V283 WeakPolarHBondContact O-CG2 3.22Å; I279-V283 PolarHBondContact O-N 3.43Å
280L92.4Very high88.8Confident1 Ų149.8 Ų49.81%0.00529%0.288CS..Hα-helixtrans-62.1-38.5179.8-74.6-176.6000112.2L132 L276 Q277 V283 C284 F310 T312 V315 L316L132-L280 HydrophobicContact CD1-CD2 3.67Å; L132-L280 HydrophobicContact CD2-CD2 3.9Å; L132-L280 HydrophobicContact CG-CD2 4.45Å; L276-L280 HydrophobicContact CD2-CD1 3.44Å; L276-L280 VanDerWaalsContact CD2-CD1 3.44Å; L276-L280 HydrophobicContact CD2-CG 4.06Å; L276-L280 WeakPolarHBondContact O-CG 3.49Å; L276-L280 PolarHBondContact O-N 2.95Å; Q277-L280 PolarHBondContact O-N 3.01Å; L280-V283 PolarHBondContact O-N 3.16Å; L280-C284 WeakPolarHBondContact O-CB 3.39Å; L280-C284 PolarHBondContact O-N 2.61Å; L280-C284 PolarHBondContact O-SG 3.5Å; L280-C284 VanDerWaalsContact O-SG 3.35Å; L280-F310 HydrophobicContact CD1-CE2 4.43Å; L280-T312 HydrophobicContact CD1-CG2 4.29Å; L280-T312 HydrophobicContact CD2-CG2 4.24Å; L280-V315 HydrophobicContact CD1-CB 3.86Å; L280-V315 HydrophobicContact CD1-CG1 4.04Å; L280-V315 HydrophobicContact CD1-CG2 4.31Å; L280-L316 HydrophobicContact CB-CD2 3.94Å
281T91.6Very high87.7Confident60 Ų6044.1 Ų44.137%0.36826%0.263SS..Hα-helixtrans-63.9-46.2177.1-55.70000111Q277 I279 C284 S285Q277-T281 WeakPolarHBondContact O-CB 3.4Å; Q277-T281 PolarHBondContact O-N 3.02Å; Q277-T281 PolarHBondContact O-OG1 3.2Å; I279-T281 VanDerWaalsContact C-N 3.29Å; I279-T281 PolarHBondContact O-N 3.18Å; T281-C284 PolarHBondContact O-N 3.14Å; T281-S285 WeakPolarHBondContact O-CB 3.26Å; T281-S285 PolarHBondContact O-N 3.5Å
282D91.4Very high86.7Confident32 Ų3242.8 Ų42.817%0.17127%0.268CS..Hα-helixtrans-63.8-45.2176.4-176.463.7000111.7S149 V151 Y250 A278 I279 C284 S285 R286S149-D282 WeakPolarHBondContact CB-OD2 3.49Å; S149-D282 PolarHBondContact OG-OD2 3.41Å; V151-D282 HydrophobicContact CG1-CB 4.47Å; V151-D282 HydrophobicContact CG2-CB 3.42Å; V151-D282 VanDerWaalsContact CG2-CB 3.42Å; V151-D282 WeakPolarHBondContact CG2-OD2 3.45Å; Y250-D282 WeakPolarHBondContact CE1-OD2 3.28Å; Y250-D282 PolarHBondContact OH-OD2 3.44Å; A278-D282 PolarHBondContact O-N 3.34Å; A278-D282 VanDerWaalsContact O-N 3.1Å; I279-D282 PolarHBondContact O-N 2.98Å; D282-C284 PolarHBondContact O-N 3Å; D282-S285 WeakPolarHBondContact O-CB 3.36Å; D282-S285 PolarHBondContact O-N 3.43Å; D282-S285 VanDerWaalsContact O-N 3.15Å; D282-S285 PolarHBondContact O-OG 3.02Å; D282-R286 WeakPolarHBondContact O-CG 3.42Å; D282-R286 PolarHBondContact O-N 3.25Å
283V90.8Very high86Confident0 Ų047.9 Ų47.90%030%0.301CS..Hα-helixtrans-58-48177.4170.80000110.8L132 L134 Y250 I279 L280 S285 R286 F294L132-V283 HydrophobicContact CD1-CG1 4.44Å; L132-V283 HydrophobicContact CD1-CG2 4.25Å; L134-V283 HydrophobicContact CD1-CG1 4.25Å; L134-V283 HydrophobicContact CD2-CG1 3.7Å; Y250-V283 HydrophobicContact CE1-CG2 4.34Å; Y250-V283 HydrophobicContact CE2-CG2 3.59Å; Y250-V283 VanDerWaalsContact CZ-CG2 3.48Å; Y250-V283 VanDerWaalsContact OH-CG2 3.3Å; Y250-V283 WeakPolarHBondContact OH-CG2 3.44Å; Y250-V283 PolarHBondContact OH-N 2.7Å; I279-V283 HydrophobicContact CG2-CG2 4.15Å; I279-V283 WeakPolarHBondContact O-CB 3.48Å; I279-V283 VanDerWaalsContact O-CG2 3.24Å; I279-V283 WeakPolarHBondContact O-CG2 3.22Å; I279-V283 PolarHBondContact O-N 3.43Å; L280-V283 PolarHBondContact O-N 3.16Å; V283-S285 VanDerWaalsContact C-N 3.31Å; V283-S285 PolarHBondContact O-N 2.98Å; V283-R286 WeakPolarHBondContact O-CB 3.37Å; V283-R286 PolarHBondContact O-N 3.07Å; V283-F294 HydrophobicContact CG1-CD1 3.82Å; V283-F294 HydrophobicContact CG1-CE1 3.71Å; V283-F294 VanDerWaalsContact O-CD1 3.28Å; V283-F294 WeakPolarHBondContact O-CD1 3.33Å; V283-F294 WeakPolarHBondContact O-CE1 3.25Å
284C88.3Confident85.6Confident36 Ų3645.6 Ų45.624%0.24329%0.291CS..Hα-helixtrans-64.9-33.2178.1-740000112.6L280 T281 D282 R286 R287 L316L280-C284 WeakPolarHBondContact O-CB 3.39Å; L280-C284 PolarHBondContact O-N 2.61Å; L280-C284 PolarHBondContact O-SG 3.5Å; L280-C284 VanDerWaalsContact O-SG 3.35Å; T281-C284 PolarHBondContact O-N 3.14Å; D282-C284 PolarHBondContact O-N 3Å; C284-R286 PolarHBondContact O-N 3.27Å; C284-R287 PolarHBondContact O-N 2.93Å; C284-L316 HydrophobicContact CB-CD2 4.37Å
285S87.1Confident85.4Confident80 Ų8045.1 Ų45.156%0.55929%0.285SS*.Hα-helixtrans-62.1-24.3177.682.50000113.6T281 D282 V283 R287T281-S285 WeakPolarHBondContact O-CB 3.26Å; T281-S285 PolarHBondContact O-N 3.5Å; D282-S285 WeakPolarHBondContact O-CB 3.36Å; D282-S285 PolarHBondContact O-N 3.43Å; D282-S285 VanDerWaalsContact O-N 3.15Å; D282-S285 PolarHBondContact O-OG 3.02Å; V283-S285 VanDerWaalsContact C-N 3.31Å; V283-S285 PolarHBondContact O-N 2.98Å; S285-R287 VanDerWaalsContact C-N 3.27Å; S285-R287 PolarHBondContact O-N 3.14Å
286R84.4Confident85.1Confident114 Ų11449.8 Ų49.843%0.4331%0.307SS..THydrogen-bonded Turntrans-73.2-17.2-178.1-62.1-71.5-176.2-167.41.2113.3F147 S149 D282 V283 C284F147-R286 HydrophobicContact CD2-CG 4.25Å; F147-R286 HydrophobicContact CE1-CB 3.98Å; F147-R286 HydrophobicContact CE1-CG 4.24Å; F147-R286 HydrophobicContact CE2-CB 4.3Å; F147-R286 HydrophobicContact CE2-CG 3.65Å; F147-R286 HydrophobicContact CZ-CB 3.81Å; F147-R286 HydrophobicContact CZ-CG 3.65Å; S149-R286 PolarHBondContact OG-NH2 3.23Å; D282-R286 WeakPolarHBondContact O-CG 3.42Å; D282-R286 PolarHBondContact O-N 3.25Å; V283-R286 WeakPolarHBondContact O-CB 3.37Å; V283-R286 PolarHBondContact O-N 3.07Å; C284-R286 PolarHBondContact O-N 3.27Å
287R80.4Confident85Confident26 Ų2653.8 Ų53.810%0.09832%0.322CS..SBendtrans-114.5133.4175.3-173.1173173.2-178.8-12.8109.3D135 C284 S285 A289 L291 F294D135-R287 VanDerWaalsContact CB-NH1 3.27Å; D135-R287 PolarHBondContact O-NH1 3.15Å; C284-R287 PolarHBondContact O-N 2.93Å; S285-R287 VanDerWaalsContact C-N 3.27Å; S285-R287 PolarHBondContact O-N 3.14Å; R287-A289 PolarHBondContact O-N 3.28Å; R287-L291 HydrophobicContact CG-CB 4.36Å; R287-L291 HydrophobicContact CG-CD1 4.06Å; R287-L291 VanDerWaalsContact NE-CB 3.29Å; R287-L291 PolarHBondContact NH2-O 3.29Å; R287-F294 HydrophobicContact CB-CB 4.28Å; R287-F294 HydrophobicContact CB-CD1 4.14Å; R287-F294 HydrophobicContact CB-CD2 3.93Å; R287-F294 HydrophobicContact CB-CE1 4.45Å; R287-F294 HydrophobicContact CB-CE2 4.24Å; R287-F294 HydrophobicContact CB-CG 3.86Å; R287-F294 HydrophobicContact CB-CZ 4.48Å; R287-F294 HydrophobicContact CG-CD2 4.19Å; R287-F294 HydrophobicContact CG-CG 4.45Å
288P72.6Confident85Confident80 Ų8051 Ų5152%0.51931%0.31SS..  trans-63.213817626-33.7000110.6S290 L291P288-S290 PolarHBondContact O-N 3.34Å; P288-L291 HydrophobicContact CG-CD1 3.67Å; P288-L291 HydrophobicContact CG-CG 4.13Å; P288-L291 PolarHBondContact O-N 2.95Å
289A69.8Low85.1Confident100 Ų10050.4 Ų50.483%0.82630%0.303SS*.G310 helixtrans-59.1-22.5-174.900000114.1R287 L291 G292R287-A289 PolarHBondContact O-N 3.28Å; A289-L291 PolarHBondContact O-N 3.11Å; A289-L291 VanDerWaalsContact O-N 3.16Å; A289-G292 PolarHBondContact O-N 2.85Å
290S70.6Confident85.2Confident107 Ų10750.3 Ų50.375%0.74830%0.303SS*.G310 helixtrans-63.1-19.1179.256.40000114.4P288P288-S290 PolarHBondContact O-N 3.34Å
291L71.7Confident85.3Confident45 Ų4550.8 Ų50.824%0.23631%0.306CS..G310 helixtrans-937.7-174.1-64.6174.9000113.7L138 R287 P288 A289L138-L291 HydrophobicContact CD2-CD1 3.43Å; L138-L291 VanDerWaalsContact CD2-CD1 3.43Å; R287-L291 HydrophobicContact CG-CB 4.36Å; R287-L291 HydrophobicContact CG-CD1 4.06Å; R287-L291 VanDerWaalsContact NE-CB 3.29Å; R287-L291 PolarHBondContact NH2-O 3.29Å; P288-L291 HydrophobicContact CG-CD1 3.67Å; P288-L291 HydrophobicContact CG-CG 4.13Å; P288-L291 PolarHBondContact O-N 2.95Å; A289-L291 PolarHBondContact O-N 3.11Å; A289-L291 VanDerWaalsContact O-N 3.16Å
292G74.4Confident85.4Confident41 Ų4148.2 Ų48.242%0.42329%0.291SS..  trans79.1-166.8-179.900000114A289 F294A289-G292 PolarHBondContact O-N 2.85Å; G292-F294 PolarHBondContact O-N 3.44Å
293P80.4Confident85.1Confident108 Ų10852.8 Ų52.870%0.70131%0.311SS*.  trans-62.2131.7-173.425.7-33.4000111.2
294F86.8Confident84.9Confident10 Ų1056.3 Ų56.34%0.04433%0.333CS..SBendtrans-88.2-32.3-179.3-175-142.7000113.3L134 D135 F147 V283 R287 G292L134-F294 WeakPolarHBondContact CA-O 3.49Å; L134-F294 HydrophobicContact CB-CE2 4.01Å; L134-F294 HydrophobicContact CB-CZ 4.05Å; L134-F294 HydrophobicContact CD1-CE1 3.87Å; L134-F294 HydrophobicContact CD1-CZ 3.73Å; L134-F294 HydrophobicContact CD2-CD1 4.14Å; L134-F294 HydrophobicContact CD2-CE1 4Å; L134-F294 HydrophobicContact CD2-CZ 4.3Å; L134-F294 HydrophobicContact CG-CE1 4.38Å; L134-F294 HydrophobicContact CG-CZ 4.25Å; D135-F294 PolarHBondContact N-O 2.79Å; D135-F294 WeakPolarHBondContact O-CD2 3.46Å; D135-F294 WeakPolarHBondContact O-CE2 3.46Å; F147-F294 HydrophobicContact CE1-CZ 4.24Å; V283-F294 HydrophobicContact CG1-CD1 3.82Å; V283-F294 HydrophobicContact CG1-CE1 3.71Å; V283-F294 VanDerWaalsContact O-CD1 3.28Å; V283-F294 WeakPolarHBondContact O-CD1 3.33Å; V283-F294 WeakPolarHBondContact O-CE1 3.25Å; R287-F294 HydrophobicContact CB-CB 4.28Å; R287-F294 HydrophobicContact CB-CD1 4.14Å; R287-F294 HydrophobicContact CB-CD2 3.93Å; R287-F294 HydrophobicContact CB-CE1 4.45Å; R287-F294 HydrophobicContact CB-CE2 4.24Å; R287-F294 HydrophobicContact CB-CG 3.86Å; R287-F294 HydrophobicContact CB-CZ 4.48Å; R287-F294 HydrophobicContact CG-CD2 4.19Å; R287-F294 HydrophobicContact CG-CG 4.45Å; G292-F294 PolarHBondContact O-N 3.44Å
295V89.8Confident84.6Confident17 Ų1755.2 Ų55.210%0.10333%0.326CS..EExtended strand (participates in β ladder)trans-96113.7-178.8-174.60000109.4L132 L134 A298 T312L132-V295 HydrophobicContact CB-CG1 4.43Å; L132-V295 HydrophobicContact CD2-CG1 4.16Å; L134-V295 HydrophobicContact CD2-CG2 3.93Å; V295-A298 HydrophobicContact CG1-CB 4.21Å; V295-T312 HydrophobicContact CB-CG2 4.12Å; V295-T312 HydrophobicContact CG1-CG2 3.8Å
296E89.5Confident84.6Confident97 Ų9757.1 Ų57.145%0.45333%0.325SS..EExtended strand (participates in β ladder)trans-79.4-38.3-179.5-136.8-176.5-150.500111.3K133 D135K133-E296 HydrophobicContact CB-CB 4.37Å; K133-E296 VanDerWaalsContact CD-OE2 3.28Å; K133-E296 WeakPolarHBondContact CD-OE2 3.28Å; K133-E296 WeakPolarHBondContact CE-OE2 3.41Å; K133-E296 HydrophobicContact CG-CB 4.44Å; K133-E296 IonicContact NZ-OE2 2.97Å; K133-E296 PolarHBondContact NZ-OE2 3.34Å; K133-E296 PolarHBondContact O-N 3.3Å; D135-E296 VanDerWaalsContact CG-CG 3.47Å; D135-E296 VanDerWaalsContact OD1-CB 3.25Å; D135-E296 WeakPolarHBondContact OD1-CB 3.32Å; D135-E296 WeakPolarHBondContact OD1-CG 3.27Å; D135-E296 WeakPolarHBondContact OD2-CG 3.46Å
297R91.6Very high84.9Confident84 Ų8453.8 Ų53.832%0.31732%0.322SS..EExtended strand (participates in β ladder)trans-150.4136.1-178.3-178.4178.768.2177.54.8110L132 K133 I299 W309L132-R297 CarbonylContact C-O 3.51Å; L132-R297 WeakPolarHBondContact CA-O 3.5Å; K133-R297 HydrophobicContact CB-CB 3.85Å; K133-R297 PolarHBondContact N-O 3.32Å; K133-R297 PolarHBondContact O-N 2.87Å; R297-I299 HydrophobicContact CG-CD1 4.26Å; R297-I299 HydrophobicContact CG-CG1 4.12Å; R297-W309 VanDerWaalsContact CD-CH2 3.41Å; R297-W309 HydrophobicContact CG-CE3 4.22Å; R297-W309 HydrophobicContact CG-CH2 4.27Å; R297-W309 HydrophobicContact CG-CZ3 4.09Å
298A94.9Very high85.6Confident5 Ų553 Ų534%0.04132%0.32CS..EExtended strand (participates in β ladder)trans-126.3132.7173.400000110.8L132 V295 F310 T312L132-A298 HydrophobicContact CD2-CB 3.58Å; V295-A298 HydrophobicContact CG1-CB 4.21Å; A298-F310 HydrophobicContact CB-CD1 3.97Å; A298-F310 HydrophobicContact CB-CD2 4.43Å; A298-F310 HydrophobicContact CB-CE1 3.47Å; A298-F310 VanDerWaalsContact CB-CE1 3.47Å; A298-F310 HydrophobicContact CB-CE2 3.99Å; A298-F310 HydrophobicContact CB-CG 4.45Å; A298-F310 HydrophobicContact CB-CZ 3.5Å; A298-F310 PolarHBondContact O-N 3.27Å; A298-T312 HydrophobicContact CB-CG2 3.52Å
299I95.3Very high86.6Confident13 Ų1352.2 Ų52.27%0.06731%0.307CS..EExtended strand (participates in β ladder)trans-131.8136-177.1-62.2174.3000108.1I130 D131 R297 A307 I308 W309I130-I299 WeakPolarHBondContact CA-O 3.37Å; D131-I299 HydrophobicContact CB-CB 4.24Å; D131-I299 PolarHBondContact N-O 2.99Å; D131-I299 PolarHBondContact O-N 2.86Å; R297-I299 HydrophobicContact CG-CD1 4.26Å; R297-I299 HydrophobicContact CG-CG1 4.12Å; I299-A307 HydrophobicContact CG2-CB 3.57Å; I299-I308 CarbonylContact C-O 3.59Å; I299-I308 VanDerWaalsContact CA-O 3.29Å; I299-I308 WeakPolarHBondContact CA-O 3.27Å; I299-W309 HydrophobicContact CD1-CZ2 4.36Å; I299-W309 HydrophobicContact CG1-CD2 4.43Å; I299-W309 HydrophobicContact CG1-CG 4.2Å
300M95.1Very high87.8Confident0 Ų047.8 Ų47.80%027%0.269CS..EExtended strand (participates in β ladder)trans-107.6138.6166.8-57.5-179.365.500109.2I110 L113 V128 Y129 I130 I262 L276 I308 F310I110-M300 HydrophobicContact CD1-CE 4.47Å; I110-M300 HydrophobicContact CG1-CE 3.61Å; I110-M300 HydrophobicContact CG1-SD 4.27Å; L113-M300 HydrophobicContact CD1-CB 3.85Å; L113-M300 HydrophobicContact CD1-CE 4.12Å; V128-M300 HydrophobicContact CG1-CE 4.01Å; Y129-M300 WeakPolarHBondContact O-CA 3.37Å; I130-M300 HydrophobicContact CG1-CG 4.48Å; I262-M300 HydrophobicContact CD1-CE 4.02Å; L276-M300 HydrophobicContact CD1-CE 3.7Å; L276-M300 HydrophobicContact CD1-CG 4.41Å; L276-M300 HydrophobicContact CD1-SD 3.64Å; M300-I308 PolarHBondContact N-O 2.79Å; M300-I308 PolarHBondContact O-N 2.91Å; M300-F310 HydrophobicContact CB-CD1 4.43Å; M300-F310 HydrophobicContact CB-CE1 4.44Å; M300-F310 HydrophobicContact CG-CD1 3.46Å; M300-F310 VanDerWaalsContact CG-CD1 3.46Å; M300-F310 HydrophobicContact CG-CE1 3.29Å; M300-F310 HydrophobicContact CG-CG 4.31Å; M300-F310 HydrophobicContact CG-CZ 4.04Å; M300-F310 HydrophobicContact SD-CD1 4.1Å; M300-F310 HydrophobicContact SD-CE1 4.12Å; M300-F310 HydrophobicContact SD-CG 4.39Å; M300-F310 HydrophobicContact SD-CZ 4.46Å
301S94.4Very high88.8Confident11 Ų1149.8 Ų49.88%0.07726%0.26CS..EExtended strand (participates in β ladder)trans-144.2149.9176.357.80000110.9Y129Y129-S301 PolarHBondContact N-O 2.84Å; Y129-S301 PolarHBondContact O-N 3.47Å
302S93.3Very high89.5Confident7 Ų748.9 Ų48.95%0.04926%0.256CS..  trans-100.3175.6162.3-173.50000108.9Q126 T304Q126-S302 PolarHBondContact OE1-OG 3.11Å; S302-T304 VanDerWaalsContact C-N 3.26Å; S302-T304 PolarHBondContact O-N 3.22Å
303Q86.9Confident89.9Confident127 Ų12754.5 Ų54.559%0.59327%0.272SS*.SBendtrans-59.5-36.2177-73.1-177.8-11.500113.3P127 Y129P127-Q303 HydrophobicContact CG-CG 3.69Å; Y129-Q303 HydrophobicContact CE2-CG 4.06Å
304T84.8Confident89.8Confident75 Ų7552.2 Ų52.246%0.4626%0.258SS..SBendtrans-109.3-30.3-172.650.90000112.6T122 Q126 S302T122-T304 HydrophobicContact CG2-CG2 3.94Å; Q126-T304 PolarHBondContact NE2-OG1 3.28Å; Q126-T304 PolarHBondContact OE1-OG1 3.25Å; S302-T304 VanDerWaalsContact C-N 3.26Å; S302-T304 PolarHBondContact O-N 3.22Å
305S83.5Confident89.4Confident13 Ų1352 Ų529%0.09126%0.257CS..SBendtrans-77.9158.5-175.1-45.30000113.4
306E85.9Confident88.9Confident119 Ų11953.7 Ų53.756%0.55627%0.266SS*.  trans-64.9151.4173.2-65.5-169.9160.400112.9K96 I308K96-E306 IonicContact NZ-OE1 2.69Å; K96-E306 PolarHBondContact NZ-OE1 3.4Å; K96-E306 IonicContact NZ-OE2 2.57Å; K96-E306 PolarHBondContact NZ-OE2 2.98Å; E306-I308 PolarHBondContact O-N 2.75Å
307A91.8Very high87.8Confident44 Ų4452.7 Ų52.736%0.36427%0.267SS..  trans-72112175.200000112.1I299I299-A307 HydrophobicContact CG2-CB 3.57Å
308I94Very high85.9Confident10 Ų1057.1 Ų57.15%0.05129%0.292CS..EExtended strand (participates in β ladder)trans-93.2130.1179.3-49.7-178.3000109.7H104 M112 L113 F116 I299 M300 E306H104-I308 HydrophobicContact CB-CG2 4.31Å; M112-I308 HydrophobicContact CB-CD1 3.54Å; M112-I308 HydrophobicContact SD-CD1 4.39Å; L113-I308 HydrophobicContact CD2-CD1 3.87Å; L113-I308 HydrophobicContact CD2-CG1 4.27Å; L113-I308 HydrophobicContact CG-CD1 3.84Å; F116-I308 HydrophobicContact CD2-CD1 4.2Å; F116-I308 HydrophobicContact CE2-CD1 3.57Å; F116-I308 HydrophobicContact CE2-CG1 4.03Å; F116-I308 HydrophobicContact CZ-CD1 4.43Å; I299-I308 CarbonylContact C-O 3.59Å; I299-I308 VanDerWaalsContact CA-O 3.29Å; I299-I308 WeakPolarHBondContact CA-O 3.27Å; M300-I308 PolarHBondContact N-O 2.79Å; M300-I308 PolarHBondContact O-N 2.91Å; E306-I308 PolarHBondContact O-N 2.75Å
309W94.5Very high83.7Confident63 Ų6361.2 Ų61.224%0.23933%0.326CS..EExtended strand (participates in β ladder)trans-89.9133.6177-71.236.9000109R101 I103 H104 R297 I299R101-W309 HydrophobicContact CB-CD2 4.41Å; R101-W309 VanDerWaalsContact CD-CE2 3.41Å; R101-W309 VanDerWaalsContact NH1-NE1 3.18Å; I103-W309 WeakPolarHBondContact CA-O 3.39Å; H104-W309 PolarHBondContact N-O 3.01Å; R297-W309 VanDerWaalsContact CD-CH2 3.41Å; R297-W309 HydrophobicContact CG-CE3 4.22Å; R297-W309 HydrophobicContact CG-CH2 4.27Å; R297-W309 HydrophobicContact CG-CZ3 4.09Å; I299-W309 HydrophobicContact CD1-CZ2 4.36Å; I299-W309 HydrophobicContact CG1-CD2 4.43Å; I299-W309 HydrophobicContact CG1-CG 4.2Å
310F94.2Very high80.8Confident7 Ų764.8 Ų64.83%0.03136%0.357CS..EExtended strand (participates in β ladder)trans-133.9156.8-178.274.2-80.7000112.6H104 A106 S109 I130 L276 L280 A298 M300 T312H104-F310 CarbonylContact O-C 3.57Å; H104-F310 VanDerWaalsContact O-CA 3.23Å; H104-F310 WeakPolarHBondContact O-CA 3.41Å; A106-F310 HydrophobicContact CB-CD2 3.84Å; A106-F310 HydrophobicContact CB-CE2 4.33Å; S109-F310 WeakPolarHBondContact OG-CB 3.41Å; I130-F310 HydrophobicContact CG2-CE1 4.37Å; I130-F310 HydrophobicContact CG2-CZ 4.32Å; L276-F310 HydrophobicContact CD1-CE2 4.33Å; L276-F310 HydrophobicContact CD1-CZ 4.17Å; L276-F310 HydrophobicContact CD2-CE2 4.16Å; L276-F310 HydrophobicContact CD2-CZ 4.49Å; L280-F310 HydrophobicContact CD1-CE2 4.43Å; A298-F310 HydrophobicContact CB-CD1 3.97Å; A298-F310 HydrophobicContact CB-CD2 4.43Å; A298-F310 HydrophobicContact CB-CE1 3.47Å; A298-F310 VanDerWaalsContact CB-CE1 3.47Å; A298-F310 HydrophobicContact CB-CE2 3.99Å; A298-F310 HydrophobicContact CB-CG 4.45Å; A298-F310 HydrophobicContact CB-CZ 3.5Å; A298-F310 PolarHBondContact O-N 3.27Å; M300-F310 HydrophobicContact CB-CD1 4.43Å; M300-F310 HydrophobicContact CB-CE1 4.44Å; M300-F310 HydrophobicContact CG-CD1 3.46Å; M300-F310 VanDerWaalsContact CG-CD1 3.46Å; M300-F310 HydrophobicContact CG-CE1 3.29Å; M300-F310 HydrophobicContact CG-CG 4.31Å; M300-F310 HydrophobicContact CG-CZ 4.04Å; M300-F310 HydrophobicContact SD-CD1 4.1Å; M300-F310 HydrophobicContact SD-CE1 4.12Å; M300-F310 HydrophobicContact SD-CG 4.39Å; M300-F310 HydrophobicContact SD-CZ 4.46Å; F310-T312 HydrophobicContact CE2-CG2 4.42Å
311R91.3Very high77.9Confident150 Ų15072.2 Ų72.257%0.56639%0.392SS*.  trans-81.2130.1175.2-60.1-173.7-173.3172.82.1110.2I103 H104 S314I103-R311 HydrophobicContact CG2-CG 3.52Å; H104-R311 PolarHBondContact O-N 3.33Å; R311-S314 PolarHBondContact O-OG 3.45Å
312T87.4Confident74.9Confident25 Ų2577.8 Ų77.815%0.15343%0.425CS..SBendtrans-76.2-28.3174.942.50000112.9L280 V295 A298 F310 S314 V315 L316L280-T312 HydrophobicContact CD1-CG2 4.29Å; L280-T312 HydrophobicContact CD2-CG2 4.24Å; V295-T312 HydrophobicContact CB-CG2 4.12Å; V295-T312 HydrophobicContact CG1-CG2 3.8Å; A298-T312 HydrophobicContact CB-CG2 3.52Å; F310-T312 HydrophobicContact CE2-CG2 4.42Å; T312-S314 PolarHBondContact O-N 3.15Å; T312-V315 PolarHBondContact O-N 3.21Å; T312-L316 PolarHBondContact O-N 2.77Å
313E83.4Confident72.1Confident160 Ų16083.9 Ų83.975%0.74846%0.458SS*.THydrogen-bonded Turntrans-58.7-31179.6-64.2172.4-175.400113.1V315E313-V315 PolarHBondContact O-N 3Å
314S77.2Confident69.7Low60 Ų6086.7 Ų86.742%0.4247%0.471SS..THydrogen-bonded Turntrans-73.2-9.9179.559.10000113.9R311 T312R311-S314 PolarHBondContact O-OG 3.45Å; T312-S314 PolarHBondContact O-N 3.15Å
315V79.1Confident67.2Low4 Ų496.1 Ų96.12%0.02451%0.505CS..THydrogen-bonded Turntrans-113.7-35.5-173.6-171.60000112.5A106 F273 L276 Q277 L280 T312 E313A106-V315 HydrophobicContact CB-CG2 3.23Å; F273-V315 HydrophobicContact CE1-CG1 4.29Å; F273-V315 HydrophobicContact CE2-CB 4.47Å; F273-V315 HydrophobicContact CE2-CG1 4.25Å; F273-V315 HydrophobicContact CE2-CG2 3.86Å; F273-V315 HydrophobicContact CZ-CB 4.26Å; F273-V315 HydrophobicContact CZ-CG1 3.92Å; F273-V315 HydrophobicContact CZ-CG2 4.12Å; L276-V315 HydrophobicContact CD2-CB 4.03Å; L276-V315 HydrophobicContact CD2-CG1 3.54Å; L276-V315 HydrophobicContact CD2-CG2 3.74Å; Q277-V315 HydrophobicContact CB-CG1 3.67Å; Q277-V315 HydrophobicContact CG-CG1 4.03Å; Q277-V315 WeakPolarHBondContact CG-O 3.45Å; Q277-V315 PolarHBondContact NE2-O 3Å; L280-V315 HydrophobicContact CD1-CB 3.86Å; L280-V315 HydrophobicContact CD1-CG1 4.04Å; L280-V315 HydrophobicContact CD1-CG2 4.31Å; T312-V315 PolarHBondContact O-N 3.21Å; E313-V315 PolarHBondContact O-N 3Å
316L78Confident66.4Low54 Ų54100.3 Ų100.328%0.28353%0.526SS..SBendtrans-61.7131.7176.9-67.1171.8000108.3L280 C284 T312 E318L280-L316 HydrophobicContact CB-CD2 3.94Å; C284-L316 HydrophobicContact CB-CD2 4.37Å; T312-L316 PolarHBondContact O-N 2.77Å; L316-E318 PolarHBondContact O-N 3.3Å; L316-E318 VanDerWaalsContact O-N 3.14Å
317P66.4Low65.4Low75 Ų7599.3 Ų99.349%0.48753%0.525SS..PPolyproline II helixtrans-56.3126.5169.224.5-30.1000106.6A319P317-A319 PolarHBondContact O-N 3.28Å
318E53.5Low63.9Low177 Ų177102.4 Ų102.483%0.82753%0.534SS*.PPolyproline II helixtrans-50.7117170.4-71.6-173.3168.100105.5L316 A320L316-E318 PolarHBondContact O-N 3.3Å; L316-E318 VanDerWaalsContact O-N 3.14Å; E318-A320 PolarHBondContact O-N 2.97Å
319A46.7Very low62.2Low91 Ų91107.8 Ų107.875%0.75256%0.562SS**  trans-51.4110.8178.900000105.4P317 Q321P317-A319 PolarHBondContact O-N 3.28Å; A319-Q321 PolarHBondContact O-N 2.84Å
320A35.6Very low60.2Low88 Ų88110.6 Ų110.673%0.72758%0.582SS**  trans-45.5114.8-176.100000105.9E318 T322E318-A320 PolarHBondContact O-N 2.97Å; A320-T322 PolarHBondContact O-N 3.46Å
321Q33.3Very low57.9Low157 Ų157117.5 Ų117.573%0.73462%0.619SS**  trans-48.2113.4174.9-69.2175.111.600104A319 D323A319-Q321 PolarHBondContact O-N 2.84Å; Q321-D323 PolarHBondContact O-N 3.37Å
322T33.1Very low55.5Low127 Ų127115.2 Ų115.278%0.77962%0.623SS**  trans-69.490.5177.5-42.20000102.7A320 E324A320-T322 PolarHBondContact O-N 3.46Å; T322-E324 PolarHBondContact O-N 3.42Å
323D33.6Very low53Low136 Ų136122.2 Ų122.273%0.72766%0.659SS**  trans-62.784169.3-74.4-32.2000105.3Q321 K325Q321-D323 PolarHBondContact O-N 3.37Å; D323-K325 VanDerWaalsContact C-N 3.31Å; D323-K325 PolarHBondContact O-N 3.1Å
324E36.9Very low50.5Low185 Ų185119 Ų11986%0.86465%0.651SS**  trans-62.699.7160.5-74.1-173.9164.400106.4T322T322-E324 PolarHBondContact O-N 3.42Å
325K32.8Very low48.1Very low274 Ų274124.4 Ų124.4100%1.19167%0.672SS**  trans-98.30156.9-89.8-174.1177.2177.10109.4D323D323-K325 VanDerWaalsContact C-N 3.31Å; D323-K325 PolarHBondContact O-N 3.1Å

Retrieved 325 of 325 residues in 180.9 ms (Link to these results)