A0A087XUA3_POEFO Loading...

Complement component 1 Q subcomponent-binding protein, mitochondrial

AlphaFold DB , UniProt , Accession A0A087XUA3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 289 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
1M38.1Very low40.4Very low232 Ų232145 Ų145100%1.14383%0.834SS**  0104.20-68.6-171.4174.900107.1
2L36.8Very low40.2Very low155 Ų155141.8 Ų141.881%0.81284%0.837SS**  65.9117.6109.4-88.7150.9000111.7
3K40.8Very low40.2Very low182 Ų182140.2 Ų140.279%0.79183%0.83SS**  cis-162.2134.635.2-70153.7179.6-179.10107.8
4S42.3Very low40.2Very low106 Ų106148.6 Ų148.674%0.74184%0.84SS**  41.8117.984.4-1630000116.6
5V46.5Very low40Very low147 Ų147148.4 Ų148.489%0.89184%0.835SS**  -157130.8129.21730000110.3
6V45.5Very low39.8Very low119 Ų119146 Ų14672%0.72183%0.831SS**  trans-90149.3173.5168.20000110.2
7R39.8Very low39.5Very low251 Ų251144.4 Ų144.495%0.94783%0.83SS**  trans-156.2132.2140.5-132.3172.6-175.1158.30.9113.6
8A41.5Very low39.5Very low79 Ų79141.8 Ų141.865%0.65383%0.83SS**  trans-104.1-169.9-179.600000111.5
9V39.3Very low39.3Very low151 Ų151139.2 Ų139.292%0.91583%0.826SS**  trans95.6130.4164-165.50000114.1
10G34Very low39.1Very low63 Ų63138 Ų13865%0.64983%0.825SS**  cis-169.3145.94.700000109.2
11A39.4Very low38.9Very low110 Ų110137.2 Ų137.291%0.90983%0.826SS**  67.4111.29400000116.1
12A37.9Very low38.8Very low106 Ų106131.2 Ų131.288%0.87681%0.813SS**  trans-156.8109.2144.700000111.2
13V41.1Very low38.7Very low122 Ų122128.3 Ų128.374%0.73981%0.812SS**  trans-82.2140.9165.2164.10000108.8L15V13-L15 HydrophobicContact CG1-CD1 4.37Å
14R39.2Very low38.7Very low257 Ų257131.8 Ų131.897%0.9782%0.82SS**  trans-141.8133.1146.2-75.3-160.9174.6-174.8-1111.3
15L38.3Very low38.3Very low146 Ų146130.9 Ų130.976%0.76482%0.819SS**  trans-112.5153-178-102.5151.2000109.4V13V13-L15 HydrophobicContact CG1-CD1 4.37Å
16S35.8Very low38Very low110 Ų110131.6 Ų131.677%0.76982%0.817SS**  trans76.8144.3154.7-490000116.7
17S34.6Very low38.1Very low118 Ų118131.4 Ų131.483%0.82582%0.818SS**  cis-164.1162.634.152.70000113.2
18A39.3Very low37.9Very low99 Ų99126.9 Ų126.982%0.81881%0.812SS**  trans-74159.2175.600000115.6
19A36.3Very low37.6Very low92 Ų92129 Ų12976%0.7682%0.822SS**  trans178.8123.8130.400000114.2
20S35.3Very low37.7Very low115 Ų115127.2 Ų127.280%0.80482%0.815SS**  58.2129.7127.7-46.10000125.3
21S34.6Very low37.9Very low122 Ų122130.4 Ų130.485%0.85382%0.824SS**  trans83.8113.7141.2-710000121.1
22A37.1Very low37.7Very low105 Ų105130.8 Ų130.887%0.86882%0.815SS**  179138.199.500000111.9
23A34.3Very low37.6Very low95 Ų95132.8 Ų132.879%0.78581%0.811SS**  trans-81.2151.6-178.300000113.7
24R39.7Very low37.3Very low254 Ų254137.9 Ų137.996%0.95882%0.817SS**  trans-140.5121.4142.8-80.1-165.3173.5172.6-1.5110.3
25A35.4Very low37.3Very low87 Ų87131 Ų13172%0.71981%0.807SS**  trans-74.3156.4170.300000110.3
26L40.2Very low37.5Very low163 Ų163129.8 Ų129.885%0.85381%0.808SS**  179178.562.6-80.9170.7000107.2
27P46.3Very low37.3Very low114 Ų114127.7 Ų127.774%0.7480%0.804SS**  cis-126.2168.4-2328.6-8.4000113.9
28L35.8Very low37.4Very low157 Ų157127.8 Ų127.882%0.82281%0.805SS**  trans-63146.9166-77.282.1000112.6
29S35.3Very low37.3Very low123 Ų123127.3 Ų127.386%0.8680%0.801SS**  trans-157112.9133.1-76.20000109.7
30C41.8Very low37.3Very low113 Ų113128.5 Ų128.576%0.76480%0.799SS**  trans-72.1157162.2-80.10000109.5
31P38.8Very low37.7Very low131 Ų131130.2 Ų130.285%0.85180%0.797SS**  -139149.1103.531.2-15.5000114.4
32T34.9Very low38.5Very low117 Ų117135.5 Ų135.572%0.71880%0.799SS**  trans-80.5139.4172.646.60000112.3
33L36Very low39Very low149 Ų149135.6 Ų135.678%0.7879%0.79SS**  trans60109.4134.7-85.1156.3000120.1
34R33.4Very low39.4Very low229 Ų229140.8 Ų140.886%0.86480%0.796SS**  149.3129.3109.2-90.1170.7-178.8-163.60.3112.1
35S39.6Very low39.6Very low111 Ų111135.2 Ų135.278%0.77679%0.79SS**  trans-75.4147.4154.4-169.20000109
36P42.9Very low40.4Very low121 Ų121142.5 Ų142.579%0.78680%0.799SS**  -146148.495.335.9-18.7000115.4
37G32.2Very low41Very low66 Ų66139.5 Ų139.568%0.6879%0.792SS**  83.1111.6129.100000120.2
38S36.1Very low41.3Very low121 Ų121140.7 Ų140.785%0.84679%0.791SS**  47.5126.1126.3-138.80000121.9
39A36.6Very low41.8Very low88 Ų88143.3 Ų143.373%0.72779%0.79SS**  trans59.4145.7158.500000115.5
40T37.4Very low42.2Very low118 Ų118146.1 Ų146.172%0.72479%0.792SS**  cis-175.1139.143.4-24.90000106.7
41I43Very low42.2Very low150 Ų150148 Ų14877%0.76979%0.794SS**  trans31117.4140.1-54170.6000118.1P43I41-P43 WeakPolarHBondContact O-CD 3.41Å
42R51.4Low42.1Very low233 Ų233151.3 Ų151.388%0.87980%0.795SS**  trans-73.8133.2163.5-58.7178.7-176.3-143.80.8110.5
43P47.3Very low42.4Very low107 Ų107153.2 Ų153.270%0.69580%0.8SS**  trans-111.9127.4152.331.8-20.6000110.6I41 T45I41-P43 WeakPolarHBondContact O-CD 3.41Å; P43-T45 PolarHBondContact O-N 2.87Å
44F42.4Very low42.7Very low205 Ų205153.9 Ų153.990%0.89981%0.805SS**  trans-58.8116.8164.2-80.2-92000109.7R46F44-R46 PolarHBondContact O-N 2.64Å
45T43.9Very low42.9Very low137 Ų137146.7 Ų146.784%0.8480%0.802SS**  trans-84.1109.9168.256.60000109.2P43P43-T45 PolarHBondContact O-N 2.87Å
46R54.1Low42.8Very low239 Ų239146 Ų14690%0.90280%0.803SS**  trans-116.1127.4154.2-77.6-171.3179.7-112.82.1108.9F44F44-R46 PolarHBondContact O-N 2.64Å
47S52.4Low42.6Very low100 Ų100145.9 Ų145.970%0.69981%0.805SS**  trans-57.5162.9-175.330.30000114.1
48L52.2Low42.9Very low140 Ų140148.4 Ų148.473%0.73381%0.812SS**  166.3128.7110.6-83.9169.5000114.2
49W45.8Very low43.5Very low212 Ų212145.9 Ų145.980%0.80381%0.805SS**  trans64.2103.2154.1-58.5106.9000122.2L51W49-L51 HydrophobicContact CE3-CD1 4.05Å; W49-L51 HydrophobicContact CZ3-CD1 4.4Å
50M45Very low43.5Very low181 Ų181152.4 Ų152.489%0.89281%0.813SS**  trans-87.6120.8151.3-87.7-84.9-135.800109.8
51L41.7Very low44Very low153 Ų153158.5 Ų158.580%0.80182%0.822SS**  trans-135.1111.4154-110.1100.4000109.3W49W49-L51 HydrophobicContact CE3-CD1 4.05Å; W49-L51 HydrophobicContact CZ3-CD1 4.4Å
52K36.8Very low43.9Very low201 Ų201156.4 Ų156.487%0.87482%0.819SS**  trans-82.2133.7161.8-115-172.2179.2-172.90107.7
53N39.7Very low43.7Very low157 Ų157155 Ų15584%0.8482%0.819SS**  trans-144.8134.2148.7-150.715.8000111.5
54N43.2Very low43.6Very low162 Ų162157.9 Ų157.987%0.86683%0.827SS**  trans-80.7133.3171.2-101.46.3000108.6
55G36.3Very low43.8Very low78 Ų78155.9 Ų155.980%0.80483%0.825SS**  trans-165.9115.7170.500000110.8
56A39.2Very low43.9Very low98 Ų98154 Ų15481%0.8182%0.818SS**  trans-82161.6-178.500000112.9
57S38.9Very low43.5Very low118 Ų118147.4 Ų147.483%0.82581%0.809SS**  trans95.7145156.383.70000119.2
58S37.4Very low43.3Very low118 Ų118150.4 Ų150.483%0.82581%0.809SS**  trans90.6107.9168.2-157.60000116.6
59G49.6Very low42.9Very low68 Ų68149.3 Ų149.370%0.70181%0.808SS**  trans-74.1127.7177.300000112
60Y36.5Very low43.1Very low225 Ų225145.5 Ų145.588%0.88280%0.803SS**  trans-158.8115.2149.9-110.4-86.9000105.4P62Y60-P62 WeakPolarHBondContact O-CD 3.27Å
61R46.4Very low43.5Very low246 Ų246143.2 Ų143.293%0.92879%0.794SS**  trans-87108.8171.6-77.8-168.8-179.6-162.61.7108.3
62P41.3Very low43.9Very low107 Ų107141.1 Ų141.170%0.69579%0.789SS**  trans-77.2126.2155.231-26.2000107.2Y60 L64Y60-P62 WeakPolarHBondContact O-CD 3.27Å; P62-L64 PolarHBondContact O-N 2.76Å
63K47.1Very low44.7Very low204 Ų204134.9 Ų134.989%0.88777%0.771SS**  trans-54.9102.3168.5-74.3176.2176.6174.80107.8L65K63-L65 PolarHBondContact O-N 3.1Å
64L45Very low45.5Very low166 Ų166132.5 Ų132.587%0.86976%0.762SS**  trans-66122.2167.9-85.2164.4000107.5P62 S66P62-L64 PolarHBondContact O-N 2.76Å; L64-S66 PolarHBondContact O-N 2.95Å
65L46.4Very low45.9Very low163 Ų163129.2 Ų129.285%0.85375%0.752SS**  trans-48109.7175-67.1159.3000108.8K63 S67K63-L65 PolarHBondContact O-N 3.1Å; L65-S67 PolarHBondContact O-N 2.82Å
66S46.4Very low46.9Very low97 Ų97127.2 Ų127.268%0.67873%0.725SS**  trans-61.288.9159.1169.80000107L64 K68L64-S66 PolarHBondContact O-N 2.95Å; S66-K68 PolarHBondContact O-N 2.67Å
67S47.3Very low48Very low102 Ų102126.5 Ų126.571%0.71373%0.727SS**  trans-70.381.2162.5590000107.2L65 V69L65-S67 PolarHBondContact O-N 2.82Å; S67-V69 PolarHBondContact O-N 3.16Å
68K46.7Very low49.6Very low163 Ų163123.2 Ų123.271%0.70970%0.704SS**  trans-58.286.8153.8-80.2-179.9177.6-179.30106.3S66 L70S66-K68 PolarHBondContact O-N 2.67Å; K68-L70 HydrophobicContact CB-CD1 4.16Å; K68-L70 HydrophobicContact CB-CG 4.11Å; K68-L70 HydrophobicContact CD-CD1 4.19Å; K68-L70 PolarHBondContact O-N 2.69Å
69V45Very low51.1Low117 Ų117120.6 Ų120.671%0.70970%0.695SS**  trans-74.782.9153.7-177.80000104.4S67 N71S67-V69 PolarHBondContact O-N 3.16Å; V69-N71 PolarHBondContact O-N 2.9Å; V69-N71 VanDerWaalsContact O-N 3.08Å
70L48.5Very low52.4Low132 Ų132119 Ų11969%0.69168%0.679SS**  trans-72.683.2165-78156.6000106.5K68K68-L70 HydrophobicContact CB-CD1 4.16Å; K68-L70 HydrophobicContact CB-CG 4.11Å; K68-L70 HydrophobicContact CD-CD1 4.19Å; K68-L70 PolarHBondContact O-N 2.69Å
71N53.5Low54.5Low132 Ų132114.4 Ų114.471%0.70667%0.669SS**  trans-88.5114.7142.9-79.42.2000104.6V69 S73V69-N71 PolarHBondContact O-N 2.9Å; V69-N71 VanDerWaalsContact O-N 3.08Å; N71-S73 PolarHBondContact O-N 3.3Å
72P51.3Low56.2Low109 Ų109104.8 Ų104.871%0.70863%0.634SS**  trans-69.887.6164.830.5-26.7000105V74P72-V74 VanDerWaalsContact C-N 3.26Å; P72-V74 PolarHBondContact O-N 2.95Å
73S53.7Low58.5Low70 Ų70102.8 Ų102.849%0.4962%0.62SS.*  trans-58.9107.3155.961.60000103.7N71 S75N71-S73 PolarHBondContact O-N 3.3Å; S73-S75 PolarHBondContact O-N 3.47Å
74V55.3Low60.3Low108 Ų108101.4 Ų101.466%0.65562%0.617SS**  trans-6398.3177.1-1690000104.1P72 C76P72-V74 VanDerWaalsContact C-N 3.26Å; P72-V74 PolarHBondContact O-N 2.95Å; V74-C76 VanDerWaalsContact C-N 3.29Å; V74-C76 PolarHBondContact O-N 3.38Å
75S51.8Low62.4Low93 Ų9395.6 Ų95.665%0.6560%0.598SS**  trans-65.999.1177.5179.30000105.5S73S73-S75 PolarHBondContact O-N 3.47Å
76C58.2Low64.5Low35 Ų3589.9 Ų89.924%0.23657%0.568CS.*  trans-60.4154.2163.1-173.40000108V74 C78 G79 H82 C288V74-C76 VanDerWaalsContact C-N 3.29Å; V74-C76 PolarHBondContact O-N 3.38Å; C76-C78 VanDerWaalsContact CB-SG 3.57Å; C76-C78 PolarHBondContact O-N 3.24Å; C76-G79 PolarHBondContact O-N 2.89Å; C76-H82 WeakPolarHBondContact CB-CD2 3.35Å; C76-H82 WeakPolarHBondContact CB-NE2 3.18Å; C76-C288 PolarHBondContact SG-O 2.88Å
77G62.3Low66.4Low83 Ų8391.8 Ų91.886%0.85656%0.564SS**THydrogen-bonded Turntrans-58.7-11.4-178.800000114.1
78C70.8Confident68.5Low50 Ų5089.6 Ų89.634%0.33855%0.552SS.*THydrogen-bonded Turntrans-81.1-10.117667.50000114.9C76 G80 C288C76-C78 VanDerWaalsContact CB-SG 3.57Å; C76-C78 PolarHBondContact O-N 3.24Å; C78-G80 PolarHBondContact O-N 3.24Å; C78-G80 PolarHBondContact SG-N 3.14Å; C78-G80 VanDerWaalsContact SG-N 3.45Å; C78-C288 HydrophobicContact CB-CB 4.36Å; C78-C288 VanDerWaalsContact CB-SG 3.59Å; C78-C288 PolarHBondContact SG-O 3.01Å
79G70.4Confident70.8Confident63 Ų6385.8 Ų85.865%0.64954%0.536SS*.  trans72.59.2-17800000115C76C76-G79 PolarHBondContact O-N 2.89Å
80G75.8Confident72.9Confident34 Ų3480.3 Ų80.335%0.35150%0.503SS..  trans-83.7162.2175.400000114.1C78C78-G80 PolarHBondContact O-N 3.24Å; C78-G80 PolarHBondContact SG-N 3.14Å; C78-G80 VanDerWaalsContact SG-N 3.45Å
81L82Confident75Confident129 Ų12979.1 Ų79.168%0.67549%0.494SS*.  trans-77.5125.2171.2-178.471.4000109.1T83L81-T83 HydrophobicContact CD1-CG2 4.48Å; L81-T83 HydrophobicContact CD2-CG2 3.85Å; L81-T83 HydrophobicContact CG-CG2 3.92Å
82H82Confident77Confident43 Ų4378.3 Ų78.320%0.19949%0.485CS..  trans-118114.2167.5-75.2-81.6000110C76 V286 N287C76-H82 WeakPolarHBondContact CB-CD2 3.35Å; C76-H82 WeakPolarHBondContact CB-NE2 3.18Å; H82-V286 PolarHBondContact CE1-O 2.94Å; H82-V286 VanDerWaalsContact CE1-O 3.24Å; H82-N287 PolarHBondContact CE1-O 3.16Å
83T88.1Confident79Confident66 Ų6673.3 Ų73.341%0.40545%0.452SS..  trans-98.1166.717569.30000110.6L81 G85 D86 K87L81-T83 HydrophobicContact CD1-CG2 4.48Å; L81-T83 HydrophobicContact CD2-CG2 3.85Å; L81-T83 HydrophobicContact CG-CG2 3.92Å; T83-G85 PolarHBondContact O-N 3.1Å; T83-G85 PolarHBondContact OG1-N 3.14Å; T83-D86 WeakPolarHBondContact CA-OD2 3.44Å; T83-D86 WeakPolarHBondContact CB-OD2 3.18Å; T83-D86 PolarHBondContact N-OD2 2.92Å; T83-D86 PolarHBondContact O-N 3.02Å; T83-D86 VanDerWaalsContact O-N 3.16Å; T83-D86 PolarHBondContact OG1-N 3.05Å; T83-D86 PolarHBondContact OG1-OD2 3.45Å; T83-K87 PolarHBondContact O-N 3.24Å
84E86.6Confident80.9Confident174 Ų17471.6 Ų71.681%0.81344%0.44SS*.Hα-helixtrans-60.2-29.2169.9-172.1172.8-171.800111.8K87 A88E84-K87 PolarHBondContact O-N 3.03Å; E84-A88 PolarHBondContact O-N 3.15Å
85G89.3Confident82.7Confident45 Ų4570.7 Ų70.746%0.46443%0.431SS..Hα-helixtrans-63.5-41.317300000112.7T83 K87 A88 F89T83-G85 PolarHBondContact O-N 3.1Å; T83-G85 PolarHBondContact OG1-N 3.14Å; G85-K87 VanDerWaalsContact C-N 3.28Å; G85-K87 PolarHBondContact O-N 3.45Å; G85-A88 PolarHBondContact O-N 3.19Å; G85-F89 VanDerWaalsContact O-CB 3.22Å; G85-F89 WeakPolarHBondContact O-CB 3.29Å; G85-F89 PolarHBondContact O-N 3.08Å
86D89.1Confident84.7Confident42 Ų4269 Ų6923%0.22541%0.413CS..Hα-helixtrans-65.7-34.8178.3-57.1-51.9000111.5T83 G90 V286T83-D86 WeakPolarHBondContact CA-OD2 3.44Å; T83-D86 WeakPolarHBondContact CB-OD2 3.18Å; T83-D86 PolarHBondContact N-OD2 2.92Å; T83-D86 PolarHBondContact O-N 3.02Å; T83-D86 VanDerWaalsContact O-N 3.16Å; T83-D86 PolarHBondContact OG1-N 3.05Å; T83-D86 PolarHBondContact OG1-OD2 3.45Å; D86-G90 PolarHBondContact O-N 2.99Å; D86-V286 HydrophobicContact CB-CG1 4.04Å; D86-V286 WeakPolarHBondContact O-CG1 3.38Å
87K87.5Confident86.3Confident137 Ų13767.9 Ų67.960%0.59641%0.405SS*.Hα-helixtrans-66-51.1174.3-173.5-172.1172.8-158.90111.4T83 E84 G85 F89 G90 E91T83-K87 PolarHBondContact O-N 3.24Å; E84-K87 PolarHBondContact O-N 3.03Å; G85-K87 VanDerWaalsContact C-N 3.28Å; G85-K87 PolarHBondContact O-N 3.45Å; K87-F89 VanDerWaalsContact C-N 3.25Å; K87-F89 PolarHBondContact O-N 3.33Å; K87-G90 PolarHBondContact O-N 3.46Å; K87-E91 WeakPolarHBondContact CE-OE1 3.47Å; K87-E91 IonicContact NZ-OE1 2.76Å; K87-E91 WeakPolarHBondContact O-CG 3.44Å; K87-E91 PolarHBondContact O-N 3Å
88A91.8Very high87.8Confident57 Ų5769.1 Ų69.147%0.47139%0.387SS..Hα-helixtrans-60.9-38.7178.200000111.3E84 G85 E91 F92E84-A88 PolarHBondContact O-N 3.15Å; G85-A88 PolarHBondContact O-N 3.19Å; A88-E91 PolarHBondContact O-N 3.48Å; A88-F92 WeakPolarHBondContact O-CB 3.44Å; A88-F92 PolarHBondContact O-N 3.32Å
89F93Very high88.8Confident82 Ų8271 Ų7136%0.3639%0.39SS..Hα-helixtrans-68.2-43.1177.9-171.5-156.2000112.1G85 K87 E91 F92 L93 L282 V286G85-F89 VanDerWaalsContact O-CB 3.22Å; G85-F89 WeakPolarHBondContact O-CB 3.29Å; G85-F89 PolarHBondContact O-N 3.08Å; K87-F89 VanDerWaalsContact C-N 3.25Å; K87-F89 PolarHBondContact O-N 3.33Å; F89-E91 VanDerWaalsContact C-N 3.35Å; F89-E91 PolarHBondContact O-N 3.42Å; F89-F92 HydrophobicContact CD2-CD1 4.42Å; F89-F92 PolarHBondContact O-N 2.93Å; F89-L93 HydrophobicContact CD1-CD1 4.42Å; F89-L93 HydrophobicContact CD2-CD1 3.95Å; F89-L93 HydrophobicContact CD2-CD2 4.42Å; F89-L93 HydrophobicContact CD2-CG 3.85Å; F89-L93 HydrophobicContact CE1-CD1 4.25Å; F89-L93 HydrophobicContact CE2-CD1 3.76Å; F89-L93 HydrophobicContact CE2-CD2 3.78Å; F89-L93 HydrophobicContact CE2-CG 3.68Å; F89-L93 HydrophobicContact CG-CD1 4.28Å; F89-L93 HydrophobicContact CZ-CD1 3.93Å; F89-L93 HydrophobicContact CZ-CD2 4.32Å; F89-L93 HydrophobicContact CZ-CG 4.32Å; F89-L93 VanDerWaalsContact O-CG 3.3Å; F89-L93 WeakPolarHBondContact O-CG 3.45Å; F89-L93 PolarHBondContact O-N 3.38Å; F89-L282 HydrophobicContact CZ-CD2 3.9Å; F89-L282 HydrophobicContact CZ-CG 4.27Å; F89-V286 HydrophobicContact CB-CG1 4.4Å; F89-V286 HydrophobicContact CD1-CB 4.43Å; F89-V286 HydrophobicContact CD1-CG1 4.01Å; F89-V286 HydrophobicContact CD1-CG2 3.57Å; F89-V286 HydrophobicContact CE1-CG2 3.61Å; F89-V286 HydrophobicContact CG-CG1 4.5Å
90G90.8Very high89.7Confident3 Ų369.7 Ų69.73%0.03137%0.367CS..Hα-helixtrans-63.7-37.1175.400000113.5D86 K87 S94D86-G90 PolarHBondContact O-N 2.99Å; K87-G90 PolarHBondContact O-N 3.46Å; G90-S94 WeakPolarHBondContact O-CB 3.39Å; G90-S94 PolarHBondContact O-N 2.61Å; G90-S94 VanDerWaalsContact O-N 3.08Å; G90-S94 PolarHBondContact O-OG 3.05Å
91E91.5Very high90.3Very high107 Ų10772.7 Ų72.750%0.537%0.371SS..Hα-helixtrans-64.6-48.2173.3-74.1174.8-177.800110.8K87 A88 F89 S94 D95K87-E91 WeakPolarHBondContact CE-OE1 3.47Å; K87-E91 IonicContact NZ-OE1 2.76Å; K87-E91 WeakPolarHBondContact O-CG 3.44Å; K87-E91 PolarHBondContact O-N 3Å; A88-E91 PolarHBondContact O-N 3.48Å; F89-E91 VanDerWaalsContact C-N 3.35Å; F89-E91 PolarHBondContact O-N 3.42Å; E91-S94 VanDerWaalsContact O-CB 3.31Å; E91-S94 WeakPolarHBondContact O-CB 3.23Å; E91-S94 PolarHBondContact O-N 3.11Å; E91-S94 VanDerWaalsContact O-N 3.15Å; E91-D95 PolarHBondContact O-N 2.78Å
92F95Very high90.6Very high115 Ų11573.1 Ų73.150%0.50437%0.367SS..Hα-helixtrans-56.6-52.3175.3174.3-97.9000112.3A88 F89 S94 D95 E96A88-F92 WeakPolarHBondContact O-CB 3.44Å; A88-F92 PolarHBondContact O-N 3.32Å; F89-F92 HydrophobicContact CD2-CD1 4.42Å; F89-F92 PolarHBondContact O-N 2.93Å; F92-S94 PolarHBondContact O-N 3.49Å; F92-D95 PolarHBondContact O-N 3.23Å; F92-E96 HydrophobicContact CE1-CB 4.46Å; F92-E96 HydrophobicContact CZ-CG 4.5Å; F92-E96 PolarHBondContact O-N 2.93Å
93L94.6Very high90.7Very high3 Ų373.6 Ų73.62%0.01637%0.371CS..Hα-helixtrans-58.6-34.1178.3-69.7170.9000112F89 D95 I97 L279 L282 Q283 V286F89-L93 HydrophobicContact CD1-CD1 4.42Å; F89-L93 HydrophobicContact CD2-CD1 3.95Å; F89-L93 HydrophobicContact CD2-CD2 4.42Å; F89-L93 HydrophobicContact CD2-CG 3.85Å; F89-L93 HydrophobicContact CE1-CD1 4.25Å; F89-L93 HydrophobicContact CE2-CD1 3.76Å; F89-L93 HydrophobicContact CE2-CD2 3.78Å; F89-L93 HydrophobicContact CE2-CG 3.68Å; F89-L93 HydrophobicContact CG-CD1 4.28Å; F89-L93 HydrophobicContact CZ-CD1 3.93Å; F89-L93 HydrophobicContact CZ-CD2 4.32Å; F89-L93 HydrophobicContact CZ-CG 4.32Å; F89-L93 VanDerWaalsContact O-CG 3.3Å; F89-L93 WeakPolarHBondContact O-CG 3.45Å; F89-L93 PolarHBondContact O-N 3.38Å; L93-D95 VanDerWaalsContact C-N 3.3Å; L93-D95 PolarHBondContact O-N 2.92Å; L93-I97 WeakPolarHBondContact O-CB 3.49Å; L93-I97 VanDerWaalsContact O-CD1 3.22Å; L93-I97 WeakPolarHBondContact O-CD1 3.49Å; L93-I97 WeakPolarHBondContact O-CG1 3.31Å; L93-I97 PolarHBondContact O-N 2.71Å; L93-L279 HydrophobicContact CD2-CD2 3.97Å; L93-L282 HydrophobicContact CD1-CD2 4.34Å; L93-L282 HydrophobicContact CD1-CG 4Å; L93-L282 HydrophobicContact CD2-CD2 4.06Å; L93-Q283 HydrophobicContact CB-CB 4.16Å; L93-Q283 HydrophobicContact CB-CG 4.37Å; L93-Q283 HydrophobicContact CD1-CB 4.15Å; L93-V286 HydrophobicContact CD1-CG2 4.37Å
94S92.8Very high90.3Very high35 Ų3572.9 Ų72.925%0.24536%0.362CS..Hα-helixtrans-65-35.5177.8-57.80000112.8G90 E91 F92 K98 Q283G90-S94 WeakPolarHBondContact O-CB 3.39Å; G90-S94 PolarHBondContact O-N 2.61Å; G90-S94 VanDerWaalsContact O-N 3.08Å; G90-S94 PolarHBondContact O-OG 3.05Å; E91-S94 VanDerWaalsContact O-CB 3.31Å; E91-S94 WeakPolarHBondContact O-CB 3.23Å; E91-S94 PolarHBondContact O-N 3.11Å; E91-S94 VanDerWaalsContact O-N 3.15Å; F92-S94 PolarHBondContact O-N 3.49Å; S94-K98 WeakPolarHBondContact O-CD 3.23Å; S94-K98 WeakPolarHBondContact O-CE 3.24Å; S94-K98 VanDerWaalsContact O-CG 3.23Å; S94-K98 WeakPolarHBondContact O-CG 3.11Å; S94-Q283 VanDerWaalsContact CA-NE2 3.35Å; S94-Q283 PolarHBondContact OG-NE2 2.87Å
95D93.7Very high89.4Confident88 Ų8872 Ų7247%0.47136%0.356SS..Hα-helixtrans-82.3-40.3179.8-68-20.3000110.4E91 F92 L93 I97 K98 E99E91-D95 PolarHBondContact O-N 2.78Å; F92-D95 PolarHBondContact O-N 3.23Å; L93-D95 VanDerWaalsContact C-N 3.3Å; L93-D95 PolarHBondContact O-N 2.92Å; D95-I97 PolarHBondContact O-N 3.45Å; D95-K98 WeakPolarHBondContact O-CB 3.46Å; D95-K98 PolarHBondContact O-N 2.99Å; D95-K98 IonicContact OD1-NZ 2.76Å; D95-K98 PolarHBondContact OD1-NZ 3.31Å; D95-E99 PolarHBondContact O-N 2.88Å
96E93.5Very high88.1Confident59 Ų5974.3 Ų74.328%0.27636%0.358SS..Hα-helixtrans-57.1-50.9174.8-159.875.1163.100111.8F92 K98 E99 E100 L279F92-E96 HydrophobicContact CE1-CB 4.46Å; F92-E96 HydrophobicContact CZ-CG 4.5Å; F92-E96 PolarHBondContact O-N 2.93Å; E96-K98 PolarHBondContact O-N 2.9Å; E96-K98 VanDerWaalsContact O-N 3.14Å; E96-E99 PolarHBondContact O-N 3.39Å; E96-E99 VanDerWaalsContact O-N 3.1Å; E96-E100 HydrophobicContact CG-CG 4.45Å; E96-E100 WeakPolarHBondContact O-CB 3.4Å; E96-E100 WeakPolarHBondContact O-CG 3.37Å; E96-E100 PolarHBondContact O-N 2.83Å; E96-L279 HydrophobicContact CG-CD1 4.05Å
97I92.9Very high87.3Confident11 Ų1182.1 Ų82.16%0.05639%0.39CS..Hα-helixtrans-58.3-33.2177.8-67.7162.3000111.6L93 D95 K101 L279 E280 Q283L93-I97 WeakPolarHBondContact O-CB 3.49Å; L93-I97 VanDerWaalsContact O-CD1 3.22Å; L93-I97 WeakPolarHBondContact O-CD1 3.49Å; L93-I97 WeakPolarHBondContact O-CG1 3.31Å; L93-I97 PolarHBondContact O-N 2.71Å; D95-I97 PolarHBondContact O-N 3.45Å; I97-K101 HydrophobicContact CG2-CD 3.92Å; I97-K101 HydrophobicContact CG2-CG 4.48Å; I97-K101 VanDerWaalsContact O-CB 3.29Å; I97-K101 WeakPolarHBondContact O-CB 3.44Å; I97-K101 WeakPolarHBondContact O-CD 3.48Å; I97-K101 WeakPolarHBondContact O-CG 3.42Å; I97-K101 PolarHBondContact O-N 3.34Å; I97-K101 VanDerWaalsContact O-N 3.14Å; I97-L279 HydrophobicContact CD1-CB 4.02Å; I97-L279 HydrophobicContact CG1-CB 3.55Å; I97-L279 HydrophobicContact CG1-CD1 4.22Å; I97-E280 HydrophobicContact CD1-CG 4.18Å; I97-E280 HydrophobicContact CG2-CG 4.2Å; I97-Q283 HydrophobicContact CD1-CB 4.04Å
98K92.8Very high87Confident109 Ų10979.9 Ų79.947%0.47439%0.391SS..Hα-helixtrans-72.8-42178.6-71.6168.2-155.3150.80111.3S94 D95 E96 K102S94-K98 WeakPolarHBondContact O-CD 3.23Å; S94-K98 WeakPolarHBondContact O-CE 3.24Å; S94-K98 VanDerWaalsContact O-CG 3.23Å; S94-K98 WeakPolarHBondContact O-CG 3.11Å; D95-K98 WeakPolarHBondContact O-CB 3.46Å; D95-K98 PolarHBondContact O-N 2.99Å; D95-K98 IonicContact OD1-NZ 2.76Å; D95-K98 PolarHBondContact OD1-NZ 3.31Å; E96-K98 PolarHBondContact O-N 2.9Å; E96-K98 VanDerWaalsContact O-N 3.14Å; K98-K102 VanDerWaalsContact O-CG 3.27Å; K98-K102 WeakPolarHBondContact O-CG 3.36Å; K98-K102 PolarHBondContact O-N 3.37Å
99E91.6Very high86.7Confident88 Ų8879.2 Ų79.241%0.41138%0.38SS..Hα-helixtrans-66.8-47.3177.4-62.5-48.314100110.3D95 E96 K101 K102 I103D95-E99 PolarHBondContact O-N 2.88Å; E96-E99 PolarHBondContact O-N 3.39Å; E96-E99 VanDerWaalsContact O-N 3.1Å; E99-K101 VanDerWaalsContact C-N 3.29Å; E99-K101 PolarHBondContact O-N 3.4Å; E99-K102 WeakPolarHBondContact O-CA 3.22Å; E99-K102 WeakPolarHBondContact O-CB 3.1Å; E99-K102 PolarHBondContact O-N 3.16Å; E99-K102 IonicContact OE1-NZ 2.64Å; E99-K102 PolarHBondContact OE1-NZ 3.3Å; E99-K102 WeakPolarHBondContact OE2-CD 3.29Å; E99-K102 IonicContact OE2-NZ 2.87Å; E99-K102 PolarHBondContact OE2-NZ 2.71Å; E99-I103 HydrophobicContact CB-CD1 4.41Å; E99-I103 WeakPolarHBondContact O-CD1 3.34Å; E99-I103 WeakPolarHBondContact O-CG1 3.38Å; E99-I103 PolarHBondContact O-N 3.03Å
100E90.6Very high86.4Confident36 Ų3676.8 Ų76.817%0.16837%0.372CS..Hα-helixtrans-57.6-41.3178.5-70.6-62.616700112.7E96 K102 I103 Q104 H272 Y275 I276 L279E96-E100 HydrophobicContact CG-CG 4.45Å; E96-E100 WeakPolarHBondContact O-CB 3.4Å; E96-E100 WeakPolarHBondContact O-CG 3.37Å; E96-E100 PolarHBondContact O-N 2.83Å; E100-K102 VanDerWaalsContact C-N 3.29Å; E100-K102 PolarHBondContact O-N 3.33Å; E100-I103 PolarHBondContact O-N 2.9Å; E100-Q104 WeakPolarHBondContact O-CB 3.25Å; E100-Q104 PolarHBondContact O-N 2.89Å; E100-H272 PolarHBondContact O-CE1 3.06Å; E100-H272 IonicContact OE2-CD2 2.71Å; E100-H272 IonicContact OE2-CE1 2.61Å; E100-H272 IonicContact OE2-NE2 3.78Å; E100-H272 PolarHBondContact OE2-NE2 2.65Å; E100-Y275 HydrophobicContact CG-CE1 4.13Å; E100-I276 HydrophobicContact CB-CD1 4.21Å; E100-I276 HydrophobicContact CB-CG1 3.83Å; E100-L279 HydrophobicContact CG-CD1 4.27Å
101K88.4Confident86.3Confident97 Ų9786 Ų8642%0.42241%0.411SS..Hα-helixtrans-69-22.9175.2-76.7176.1178.4175.90114.3I97 E99 I276 E280I97-K101 HydrophobicContact CG2-CD 3.92Å; I97-K101 HydrophobicContact CG2-CG 4.48Å; I97-K101 VanDerWaalsContact O-CB 3.29Å; I97-K101 WeakPolarHBondContact O-CB 3.44Å; I97-K101 WeakPolarHBondContact O-CD 3.48Å; I97-K101 WeakPolarHBondContact O-CG 3.42Å; I97-K101 PolarHBondContact O-N 3.34Å; I97-K101 VanDerWaalsContact O-N 3.14Å; E99-K101 VanDerWaalsContact C-N 3.29Å; E99-K101 PolarHBondContact O-N 3.4Å; K101-I276 HydrophobicContact CD-CG2 4.48Å; K101-I276 HydrophobicContact CG-CD1 4.29Å; K101-I276 HydrophobicContact CG-CG2 3.97Å; K101-E280 VanDerWaalsContact CE-OE1 3.24Å; K101-E280 WeakPolarHBondContact CE-OE1 3.46Å; K101-E280 IonicContact NZ-OE1 3.81Å; K101-E280 PolarHBondContact NZ-OE1 3.06Å
102K87.6Confident86.3Confident139 Ų13982 Ų8260%0.60439%0.393SS*.Hα-helixtrans-79.1-39.4172.8-70.1169.2-161.2167.50110.6K98 E99 E100 Q104K98-K102 VanDerWaalsContact O-CG 3.27Å; K98-K102 WeakPolarHBondContact O-CG 3.36Å; K98-K102 PolarHBondContact O-N 3.37Å; E99-K102 WeakPolarHBondContact O-CA 3.22Å; E99-K102 WeakPolarHBondContact O-CB 3.1Å; E99-K102 PolarHBondContact O-N 3.16Å; E99-K102 IonicContact OE1-NZ 2.64Å; E99-K102 PolarHBondContact OE1-NZ 3.3Å; E99-K102 WeakPolarHBondContact OE2-CD 3.29Å; E99-K102 IonicContact OE2-NZ 2.87Å; E99-K102 PolarHBondContact OE2-NZ 2.71Å; E100-K102 VanDerWaalsContact C-N 3.29Å; E100-K102 PolarHBondContact O-N 3.33Å; K102-Q104 VanDerWaalsContact C-N 3.31Å
103I83.3Confident86.1Confident53 Ų5379.4 Ų79.427%0.27239%0.389SS..Hα-helixtrans-73.5-26.8-178.7-63.2154.8000111.1E99 E100 K105 E166E99-I103 HydrophobicContact CB-CD1 4.41Å; E99-I103 WeakPolarHBondContact O-CD1 3.34Å; E99-I103 WeakPolarHBondContact O-CG1 3.38Å; E99-I103 PolarHBondContact O-N 3.03Å; E100-I103 PolarHBondContact O-N 2.9Å; I103-K105 VanDerWaalsContact C-N 3.33Å; I103-K105 WeakPolarHBondContact O-CG 3.24Å; I103-K105 PolarHBondContact O-N 2.94Å; I103-E166 VanDerWaalsContact CD1-OE2 3.23Å; I103-E166 WeakPolarHBondContact CD1-OE2 3.49Å
104Q79.8Confident85.7Confident50 Ų5081.8 Ų81.823%0.23441%0.414CS..  trans-51.193.2177-171.1171.444.500111.5E100 K102 N106 I276E100-Q104 WeakPolarHBondContact O-CB 3.25Å; E100-Q104 PolarHBondContact O-N 2.89Å; K102-Q104 VanDerWaalsContact C-N 3.31Å; Q104-N106 PolarHBondContact O-N 3.27Å; Q104-N106 VanDerWaalsContact O-N 3.16Å; Q104-I276 HydrophobicContact CB-CD1 4.26Å; Q104-I276 HydrophobicContact CG-CD1 4.42Å
105K67.4Low85.6Confident156 Ų15683 Ų8368%0.67843%0.433SS*.SBendtrans-58.4-35.4-171-63.7-178.8-175.61760110.9I103 E168I103-K105 VanDerWaalsContact C-N 3.33Å; I103-K105 WeakPolarHBondContact O-CG 3.24Å; I103-K105 PolarHBondContact O-N 2.94Å; K105-E168 IonicContact NZ-OE1 3.12Å; K105-E168 PolarHBondContact NZ-OE1 3.46Å
106N63.7Low85.7Confident93 Ų9380.1 Ų80.150%0.49742%0.415SS..  trans-123.7111.4-173.5-69.9-37.5000111.5Q104 S108Q104-N106 PolarHBondContact O-N 3.27Å; Q104-N106 VanDerWaalsContact O-N 3.16Å; N106-S108 WeakPolarHBondContact CB-O 3.38Å; N106-S108 PolarHBondContact O-N 2.88Å
107K70.7Confident85.8Confident207 Ų20783.8 Ų83.890%0.943%0.432SS*.SBendtrans-68.7-21.9171.7-68.8-177.3-178.8176.10113
108S80.8Confident85.9Confident90 Ų9086.3 Ų86.363%0.62945%0.445SS*.SBendtrans-119139.8176.755.40000109.1N106N106-S108 WeakPolarHBondContact CB-O 3.38Å; N106-S108 PolarHBondContact O-N 2.88Å
109L86.1Confident86Confident43 Ų4386.4 Ų86.423%0.22545%0.447CS..  trans-57.7141.6176.1-62.8174.7000110.8L118 M120 L266 A269 I270 K273L109-L118 HydrophobicContact CD1-CD2 4.01Å; L109-M120 HydrophobicContact CD1-CE 4.43Å; L109-M120 HydrophobicContact CD1-SD 3.52Å; L109-M120 VanDerWaalsContact CD1-SD 3.52Å; L109-L266 HydrophobicContact CB-CD1 4.16Å; L109-A269 HydrophobicContact CD2-CB 4.05Å; L109-I270 HydrophobicContact CD1-CG1 4.15Å; L109-I270 HydrophobicContact CD2-CG1 3.78Å; L109-K273 HydrophobicContact CD2-CD 4.42Å
110P88.1Confident86.1Confident31 Ų3185.4 Ų85.420%0.20144%0.444CS..  trans-60.1152.517329.3-35.2000109.4L266 A269P110-L266 HydrophobicContact CG-CB 4.08Å; P110-L266 HydrophobicContact CG-CD1 4.01Å; P110-A269 VanDerWaalsContact CD-CB 3.49Å; P110-A269 HydrophobicContact CG-CB 4.12Å
111K88.1Confident86.2Confident196 Ų19689.8 Ų89.885%0.85247%0.468SS*.  trans-104.2128.7-177.3-67.8-176.2179.6-179.10109.1
112M91.3Very high86.3Confident23 Ų2387.1 Ų87.111%0.11347%0.468CS..  trans-65.8135.4170-54.7-60.4-67.300110.2W116 L127 F259 E262 L263 L266M112-W116 HydrophobicContact CB-CB 4.03Å; M112-W116 HydrophobicContact CB-CG 4.21Å; M112-L127 HydrophobicContact CE-CD1 4.11Å; M112-L127 HydrophobicContact CG-CD1 4.02Å; M112-L127 HydrophobicContact CG-CD2 3.82Å; M112-L127 HydrophobicContact SD-CD1 4.34Å; M112-F259 HydrophobicContact CE-CD2 3.52Å; M112-F259 HydrophobicContact CE-CE2 3.51Å; M112-F259 HydrophobicContact CE-CG 4.25Å; M112-F259 HydrophobicContact CE-CZ 4.21Å; M112-E262 WeakPolarHBondContact CA-OE2 3.2Å; M112-E262 HydrophobicContact CE-CB 3.58Å; M112-E262 HydrophobicContact SD-CB 3.76Å; M112-L263 HydrophobicContact CE-CB 4.27Å; M112-L266 HydrophobicContact CG-CD2 3.95Å; M112-L266 HydrophobicContact SD-CB 4.06Å; M112-L266 HydrophobicContact SD-CD2 3.71Å; M112-L266 HydrophobicContact SD-CG 4.5Å
113S89.6Confident86.6Confident61 Ų6182.2 Ų82.243%0.42745%0.45SS..THydrogen-bonded Turntrans-75.2162.8170.9710000110.8G115 W116 E262S113-G115 PolarHBondContact O-N 3Å; S113-W116 PolarHBondContact O-NE1 3.5Å; S113-E262 WeakPolarHBondContact CB-OE1 3.03Å; S113-E262 PolarHBondContact N-OE1 3.4Å; S113-E262 PolarHBondContact N-OE2 3.15Å; S113-E262 VanDerWaalsContact OG-CD 3.26Å; S113-E262 PolarHBondContact OG-OE1 3.05Å; S113-E262 PolarHBondContact OG-OE2 3.26Å; S113-E262 VanDerWaalsContact OG-OE2 3.12Å
114G87.3Confident87.2Confident52 Ų5284 Ų8454%0.53646%0.457SS..THydrogen-bonded Turntrans82.210.6178.800000116K129G114-K129 WeakPolarHBondContact O-CE 3.3Å
115G90.4Very high87.9Confident62 Ų6281.6 Ų81.664%0.63945%0.446SS*.SBendtrans79.933.9166.400000115S113S113-G115 PolarHBondContact O-N 3Å
116W95.4Very high89.3Confident27 Ų2777.2 Ų77.210%0.10243%0.427CS..PPolyproline II helixtrans-74.6139173.2-61.196.4000111.9M112 S113 L127 K129 I136 V138 V255 F259M112-W116 HydrophobicContact CB-CB 4.03Å; M112-W116 HydrophobicContact CB-CG 4.21Å; S113-W116 PolarHBondContact O-NE1 3.5Å; W116-L127 HydrophobicContact CB-CB 4.43Å; W116-L127 HydrophobicContact CB-CD2 4.19Å; W116-L127 HydrophobicContact CD2-CB 4.36Å; W116-L127 HydrophobicContact CE3-CB 3.81Å; W116-L127 HydrophobicContact CZ3-CB 4.44Å; W116-K129 HydrophobicContact CD2-CB 3.77Å; W116-K129 HydrophobicContact CD2-CD 3.98Å; W116-K129 HydrophobicContact CD2-CG 4.5Å; W116-K129 HydrophobicContact CE3-CB 3.37Å; W116-K129 HydrophobicContact CE3-CD 4.34Å; W116-K129 HydrophobicContact CH2-CB 4.03Å; W116-K129 HydrophobicContact CH2-CD 4.18Å; W116-K129 HydrophobicContact CZ2-CB 4.37Å; W116-K129 HydrophobicContact CZ2-CD 3.8Å; W116-K129 HydrophobicContact CZ3-CB 3.52Å; W116-K129 HydrophobicContact CZ3-CD 4.43Å; W116-I136 HydrophobicContact CH2-CB 4.11Å; W116-I136 HydrophobicContact CH2-CG2 3.59Å; W116-I136 HydrophobicContact CZ3-CB 4.24Å; W116-I136 HydrophobicContact CZ3-CG2 3.98Å; W116-V138 HydrophobicContact CH2-CG2 3.89Å; W116-V138 HydrophobicContact CZ3-CG2 3.96Å; W116-V255 HydrophobicContact CH2-CG2 3.9Å; W116-V255 HydrophobicContact CZ2-CG2 3.92Å; W116-F259 HydrophobicContact CD2-CE2 4.25Å; W116-F259 AromaticContact CE2-CD2 3.93Å; W116-F259 AromaticContact CE2-CE2 3.71Å; W116-F259 HydrophobicContact CH2-CE2 4.41Å; W116-F259 HydrophobicContact CZ2-CD2 4.04Å; W116-F259 AromaticContact CZ2-CE2 3.82Å; W116-F259 HydrophobicContact CZ2-CE2 3.82Å; W116-F259 AromaticContact NE1-CD2 3.67Å; W116-F259 AromaticContact NE1-CE2 3.82Å
117E95.7Very high90.9Very high136 Ų13672.8 Ų72.864%0.63640%0.403SS*.EExtended strand (participates in β ladder)trans-95.8122.4169.4-64.9-178.1172.600109.1L127 T128E117-L127 CarbonylContact O-C 3.55Å; E117-L127 WeakPolarHBondContact O-CA 3.36Å; E117-T128 PolarHBondContact N-O 3.5Å; E117-T128 PolarHBondContact O-N 3.18Å
118L95.4Very high92.1Very high63 Ų6363.7 Ų63.733%0.3337%0.365SS..EExtended strand (participates in β ladder)trans-94.1120178.4175.463.8000110.7L109 M120 A125 L127 L266L109-L118 HydrophobicContact CD1-CD2 4.01Å; L118-M120 HydrophobicContact CD1-CG 4.11Å; L118-M120 HydrophobicContact CD2-CG 4.32Å; L118-M120 HydrophobicContact CD2-SD 4.28Å; L118-M120 HydrophobicContact CG-CG 4.07Å; L118-A125 HydrophobicContact CD1-CB 4.11Å; L118-L127 HydrophobicContact CB-CD2 3.89Å; L118-L127 HydrophobicContact CD1-CD2 3.74Å; L118-L127 HydrophobicContact CD1-CG 4.37Å; L118-L127 HydrophobicContact CG-CD2 4.37Å; L118-L266 HydrophobicContact CD1-CD2 4.35Å; L118-L266 HydrophobicContact CD2-CD1 4.04Å; L118-L266 HydrophobicContact CD2-CD2 4.37Å
119E95.1Very high92.8Very high111 Ų11160.8 Ų60.852%0.51934%0.341SS..EExtended strand (participates in β ladder)trans-110137.2167.2-63.2-178.6167.200109K126E119-K126 HydrophobicContact CB-CB 4.35Å; E119-K126 PolarHBondContact N-O 3.45Å; E119-K126 PolarHBondContact O-N 3.16Å
120M93.6Very high93.2Very high67 Ų6765.2 Ų65.233%0.3336%0.36SS..EExtended strand (participates in β ladder)trans-125.3134.6179.7-64.1-179.970.200110.6L109 L118 I270L109-M120 HydrophobicContact CD1-CE 4.43Å; L109-M120 HydrophobicContact CD1-SD 3.52Å; L109-M120 VanDerWaalsContact CD1-SD 3.52Å; L118-M120 HydrophobicContact CD1-CG 4.11Å; L118-M120 HydrophobicContact CD2-CG 4.32Å; L118-M120 HydrophobicContact CD2-SD 4.28Å; L118-M120 HydrophobicContact CG-CG 4.07Å; M120-I270 HydrophobicContact CE-CB 4.25Å; M120-I270 HydrophobicContact CE-CD1 3.94Å; M120-I270 HydrophobicContact CE-CG1 3.79Å; M120-I270 HydrophobicContact CE-CG2 3.5Å; M120-I270 VanDerWaalsContact CE-CG2 3.5Å; M120-I270 HydrophobicContact SD-CD1 4.32Å; M120-I270 HydrophobicContact SD-CG1 4.4Å
121N92.3Very high93.3Very high129 Ų12966.3 Ų66.369%0.6936%0.364SS*.EExtended strand (participates in β ladder)trans-131.790.1173.5-173.47.4000109.9T123 E124N121-T123 PolarHBondContact O-N 3.04Å; N121-E124 PolarHBondContact N-O 2.64Å; N121-E124 PolarHBondContact O-N 2.76Å; N121-E124 VanDerWaalsContact O-N 3.17Å
122G91.1Very high93.3Very high40 Ų4062.8 Ų62.841%0.41236%0.364SS..THydrogen-bonded Turntrans63.9-118.5-17200000110.6
123T93.4Very high93.1Very high36 Ų3663.5 Ų63.522%0.22138%0.377CS..THydrogen-bonded Turntrans-90.6-7.1179.867.60000113.5N121 N141 V142 N143N121-T123 PolarHBondContact O-N 3.04Å; T123-N141 WeakPolarHBondContact CB-OD1 3.5Å; T123-N141 WeakPolarHBondContact O-CA 3.37Å; T123-N141 PolarHBondContact O-OD1 3.33Å; T123-N141 PolarHBondContact OG1-ND2 3.12Å; T123-N141 PolarHBondContact OG1-OD1 2.99Å; T123-V142 HydrophobicContact CG2-CG2 4.19Å; T123-V142 PolarHBondContact O-N 3.05Å; T123-N143 WeakPolarHBondContact CG2-OD1 3.45Å; T123-N143 PolarHBondContact OG1-ND2 2.82Å
124E95.3Very high93.3Very high90 Ų9062 Ų6242%0.42136%0.364SS..EExtended strand (participates in β ladder)trans-89.9128.1175.1-173.417790.200109.7N121 T139N121-E124 PolarHBondContact N-O 2.64Å; N121-E124 PolarHBondContact O-N 2.76Å; N121-E124 VanDerWaalsContact O-N 3.17Å; E124-T139 HydrophobicContact CG-CG2 3.83Å
125A95.9Very high93.7Very high0 Ų063.4 Ų63.40%036%0.355CS..EExtended strand (participates in β ladder)trans-119.3138.2177.500000109.7L118 T139 F140 I270L118-A125 HydrophobicContact CD1-CB 4.11Å; A125-T139 WeakPolarHBondContact O-CA 3.46Å; A125-F140 HydrophobicContact CB-CD1 4.02Å; A125-F140 HydrophobicContact CB-CD2 4.25Å; A125-F140 HydrophobicContact CB-CE1 3.48Å; A125-F140 VanDerWaalsContact CB-CE1 3.48Å; A125-F140 HydrophobicContact CB-CE2 3.75Å; A125-F140 HydrophobicContact CB-CG 4.39Å; A125-F140 HydrophobicContact CB-CZ 3.35Å; A125-F140 PolarHBondContact N-O 3.49Å; A125-F140 PolarHBondContact O-N 2.94Å; A125-I270 HydrophobicContact CB-CD1 4.06Å
126K96.7Very high94Very high65 Ų6560.5 Ų60.528%0.28333%0.325SS..EExtended strand (participates in β ladder)trans-129.6117-176-174.3-177.2-170.9174.30109.8E119 T137 V138E119-K126 HydrophobicContact CB-CB 4.35Å; E119-K126 PolarHBondContact N-O 3.45Å; E119-K126 PolarHBondContact O-N 3.16Å; K126-T137 HydrophobicContact CD-CG2 4.07Å; K126-T137 HydrophobicContact CG-CG2 3.7Å; K126-V138 CarbonylContact C-O 3.55Å; K126-V138 WeakPolarHBondContact CA-O 3.28Å
127L97.1Very high94Very high0 Ų059.2 Ų59.20%032%0.32CS..EExtended strand (participates in β ladder)trans-99.1123.5174.2-64.5169.3000108.7M112 W116 E117 L118 T137 V138 F140 F259 L263 L266M112-L127 HydrophobicContact CE-CD1 4.11Å; M112-L127 HydrophobicContact CG-CD1 4.02Å; M112-L127 HydrophobicContact CG-CD2 3.82Å; M112-L127 HydrophobicContact SD-CD1 4.34Å; W116-L127 HydrophobicContact CB-CB 4.43Å; W116-L127 HydrophobicContact CB-CD2 4.19Å; W116-L127 HydrophobicContact CD2-CB 4.36Å; W116-L127 HydrophobicContact CE3-CB 3.81Å; W116-L127 HydrophobicContact CZ3-CB 4.44Å; E117-L127 CarbonylContact O-C 3.55Å; E117-L127 WeakPolarHBondContact O-CA 3.36Å; L118-L127 HydrophobicContact CB-CD2 3.89Å; L118-L127 HydrophobicContact CD1-CD2 3.74Å; L118-L127 HydrophobicContact CD1-CG 4.37Å; L118-L127 HydrophobicContact CG-CD2 4.37Å; L127-T137 CarbonylContact O-C 3.51Å; L127-T137 WeakPolarHBondContact O-CA 3.43Å; L127-V138 HydrophobicContact CB-CB 4.25Å; L127-V138 PolarHBondContact N-O 3.13Å; L127-V138 PolarHBondContact O-N 3.47Å; L127-F140 HydrophobicContact CD1-CE1 4.23Å; L127-F140 HydrophobicContact CG-CE1 4.43Å; L127-F259 HydrophobicContact CD1-CE2 3.96Å; L127-F259 HydrophobicContact CD1-CZ 3.96Å; L127-L263 HydrophobicContact CD1-CD1 4.06Å; L127-L266 HydrophobicContact CD1-CD2 4.3Å; L127-L266 HydrophobicContact CD2-CD2 4.12Å
128T96.3Very high94.1Very high15 Ų1552.8 Ų52.89%0.09229%0.29CS..EExtended strand (participates in β ladder)trans-118.8137.6178.7-56.20000110.9E117 K135 I136E117-T128 PolarHBondContact N-O 3.5Å; E117-T128 PolarHBondContact O-N 3.18Å; T128-K135 HydrophobicContact CG2-CG 4.33Å; T128-I136 WeakPolarHBondContact CA-O 3.4Å
129K95.1Very high94.1Very high29 Ų2951.6 Ų51.613%0.12629%0.285CS..EExtended strand (participates in β ladder)trans-141.1134.9175.7179.8178.3175.6-1710110.3G114 W116 I136 R253G114-K129 WeakPolarHBondContact O-CE 3.3Å; W116-K129 HydrophobicContact CD2-CB 3.77Å; W116-K129 HydrophobicContact CD2-CD 3.98Å; W116-K129 HydrophobicContact CD2-CG 4.5Å; W116-K129 HydrophobicContact CE3-CB 3.37Å; W116-K129 HydrophobicContact CE3-CD 4.34Å; W116-K129 HydrophobicContact CH2-CB 4.03Å; W116-K129 HydrophobicContact CH2-CD 4.18Å; W116-K129 HydrophobicContact CZ2-CB 4.37Å; W116-K129 HydrophobicContact CZ2-CD 3.8Å; W116-K129 HydrophobicContact CZ3-CB 3.52Å; W116-K129 HydrophobicContact CZ3-CD 4.43Å; K129-I136 PolarHBondContact N-O 3.28Å; K129-I136 PolarHBondContact O-N 3.46Å; K129-R253 PolarHBondContact NZ-O 3.27Å
130Q93.6Very high94.2Very high136 Ų13646.5 Ų46.564%0.63626%0.262SS*.EExtended strand (participates in β ladder)trans-102.7122.5175.1-62.6-68.783.700109.2E134Q130-E134 WeakPolarHBondContact CA-O 3.08Å
131L91.1Very high94.3Very high54 Ų5446.1 Ų46.128%0.28326%0.261SS..EExtended strand (participates in β ladder)trans-136.1118.3-178.9-168.2146.1000110.5G133 E134 I136L131-G133 PolarHBondContact O-N 3.08Å; L131-E134 PolarHBondContact N-O 2.95Å; L131-E134 WeakPolarHBondContact O-CA 3.34Å; L131-E134 WeakPolarHBondContact O-CB 3.3Å; L131-E134 PolarHBondContact O-N 3.2Å; L131-I136 HydrophobicContact CB-CD1 3.82Å
132S87Confident94.5Very high122 Ų12240.4 Ų40.485%0.85323%0.23SC*.THydrogen-bonded Turntrans48.335.8172-56.90000116.2
133G88.6Confident94.6Very high38 Ų3842.7 Ų42.739%0.39223%0.234SC..THydrogen-bonded Turntrans85.712.5-177.500000114.2L131 Q182L131-G133 PolarHBondContact O-N 3.08Å; G133-Q182 WeakPolarHBondContact O-CB 3.42Å; G133-Q182 PolarHBondContact O-N 3.22Å
134E93.7Very high94.5Very high30 Ų3049.1 Ų49.114%0.1427%0.267CS..EExtended strand (participates in β ladder)trans-113.2146.6168.3-55.5-171.8162.600109.7Q130 L131 I136 T180 K181 R253Q130-E134 WeakPolarHBondContact CA-O 3.08Å; L131-E134 PolarHBondContact N-O 2.95Å; L131-E134 WeakPolarHBondContact O-CA 3.34Å; L131-E134 WeakPolarHBondContact O-CB 3.3Å; L131-E134 PolarHBondContact O-N 3.2Å; E134-I136 HydrophobicContact CB-CD1 4.43Å; E134-T180 CarbonylContact C-O 3.59Å; E134-T180 WeakPolarHBondContact CA-O 3.49Å; E134-K181 HydrophobicContact CG-CG 4.14Å; E134-K181 WeakPolarHBondContact OE1-CE 3.24Å; E134-K181 IonicContact OE1-NZ 3.76Å; E134-R253 VanDerWaalsContact CD-NH2 3.31Å; E134-R253 IonicContact OE1-NH2 2.82Å; E134-R253 PolarHBondContact OE1-NH2 3.4Å; E134-R253 VanDerWaalsContact OE1-NH2 3.12Å; E134-R253 IonicContact OE2-CZ 2.71Å; E134-R253 IonicContact OE2-NE 3.62Å; E134-R253 PolarHBondContact OE2-NE 2.9Å; E134-R253 IonicContact OE2-NH2 3.27Å; E134-R253 PolarHBondContact OE2-NH2 2.84Å
135K94.5Very high94.3Very high82 Ų8245.2 Ų45.236%0.35725%0.249SC..EExtended strand (participates in β ladder)trans-105.7122.1170.2177.6171-176.5-1690108.4T128 T137 T180T128-K135 HydrophobicContact CG2-CG 4.33Å; K135-T137 WeakPolarHBondContact CE-OG1 3.2Å; K135-T180 PolarHBondContact N-O 3.29Å; K135-T180 PolarHBondContact O-N 3.2Å
136I96.2Very high93.9Very high0 Ų048.5 Ų48.50%027%0.266CS..EExtended strand (participates in β ladder)trans-108.6126.7173.3-53.392000107.5W116 T128 K129 L131 E134 I177 E178 V179 R253W116-I136 HydrophobicContact CH2-CB 4.11Å; W116-I136 HydrophobicContact CH2-CG2 3.59Å; W116-I136 HydrophobicContact CZ3-CB 4.24Å; W116-I136 HydrophobicContact CZ3-CG2 3.98Å; T128-I136 WeakPolarHBondContact CA-O 3.4Å; K129-I136 PolarHBondContact N-O 3.28Å; K129-I136 PolarHBondContact O-N 3.46Å; L131-I136 HydrophobicContact CB-CD1 3.82Å; E134-I136 HydrophobicContact CB-CD1 4.43Å; I136-I177 HydrophobicContact CG2-CG2 4.06Å; I136-E178 WeakPolarHBondContact CA-O 3.48Å; I136-V179 HydrophobicContact CG1-CG2 4.44Å; I136-V179 HydrophobicContact CG2-CG2 4.41Å; I136-R253 HydrophobicContact CD1-CB 4.44Å; I136-R253 HydrophobicContact CD1-CG 4.33Å; I136-R253 HydrophobicContact CG1-CB 4.11Å; I136-R253 HydrophobicContact CG1-CG 4.15Å
137T95.9Very high93.3Very high1 Ų148 Ų481%0.00627%0.269CS..EExtended strand (participates in β ladder)trans-126.1124178.8-540000108.2K126 L127 K135 I177 E178K126-T137 HydrophobicContact CD-CG2 4.07Å; K126-T137 HydrophobicContact CG-CG2 3.7Å; L127-T137 CarbonylContact O-C 3.51Å; L127-T137 WeakPolarHBondContact O-CA 3.43Å; K135-T137 WeakPolarHBondContact CE-OG1 3.2Å; T137-I177 CarbonylContact O-C 3.5Å; T137-I177 WeakPolarHBondContact O-CA 3.36Å; T137-E178 PolarHBondContact N-O 3.04Å; T137-E178 PolarHBondContact O-N 2.81Å
138V97.4Very high92.1Very high0 Ų052 Ų520%030%0.295CS..EExtended strand (participates in β ladder)trans-110.9125.1171.9-175.10000108.4W116 K126 L127 F175 V176 I177 V255 F259W116-V138 HydrophobicContact CH2-CG2 3.89Å; W116-V138 HydrophobicContact CZ3-CG2 3.96Å; K126-V138 CarbonylContact C-O 3.55Å; K126-V138 WeakPolarHBondContact CA-O 3.28Å; L127-V138 HydrophobicContact CB-CB 4.25Å; L127-V138 PolarHBondContact N-O 3.13Å; L127-V138 PolarHBondContact O-N 3.47Å; V138-F175 HydrophobicContact CG1-CB 4.05Å; V138-F175 HydrophobicContact CG1-CD2 3.77Å; V138-F175 HydrophobicContact CG1-CG 4.32Å; V138-V176 CarbonylContact C-O 3.56Å; V138-V176 VanDerWaalsContact CA-O 3.32Å; V138-V176 WeakPolarHBondContact CA-O 3.47Å; V138-I177 HydrophobicContact CG2-CG1 4.2Å; V138-I177 HydrophobicContact CG2-CG2 4.26Å; V138-V255 HydrophobicContact CG2-CG2 4.32Å; V138-F259 HydrophobicContact CB-CZ 4.07Å; V138-F259 HydrophobicContact CG1-CE1 4.3Å; V138-F259 HydrophobicContact CG1-CZ 3.94Å; V138-F259 HydrophobicContact CG2-CE1 4.42Å; V138-F259 HydrophobicContact CG2-CZ 3.82Å
139T96.7Very high90.4Very high38 Ų3855.6 Ų55.623%0.23331%0.314CS..EExtended strand (participates in β ladder)trans-120.1132.8179.8-48.50000109.7E124 A125 F175 V176E124-T139 HydrophobicContact CG-CG2 3.83Å; A125-T139 WeakPolarHBondContact O-CA 3.46Å; T139-F175 CarbonylContact O-C 3.58Å; T139-F175 WeakPolarHBondContact O-CA 3.38Å; T139-V176 PolarHBondContact N-O 3.42Å; T139-V176 PolarHBondContact O-N 3.06Å
140F97.1Very high88.3Confident5 Ų561.3 Ų61.32%0.02234%0.339CS..EExtended strand (participates in β ladder)trans-142.7160.4176.167.5-84.9000110.8A125 L127 V142 P173 F175 L263 L266 I270A125-F140 HydrophobicContact CB-CD1 4.02Å; A125-F140 HydrophobicContact CB-CD2 4.25Å; A125-F140 HydrophobicContact CB-CE1 3.48Å; A125-F140 VanDerWaalsContact CB-CE1 3.48Å; A125-F140 HydrophobicContact CB-CE2 3.75Å; A125-F140 HydrophobicContact CB-CG 4.39Å; A125-F140 HydrophobicContact CB-CZ 3.35Å; A125-F140 PolarHBondContact N-O 3.49Å; A125-F140 PolarHBondContact O-N 2.94Å; L127-F140 HydrophobicContact CD1-CE1 4.23Å; L127-F140 HydrophobicContact CG-CE1 4.43Å; F140-V142 HydrophobicContact CD2-CG1 4.33Å; F140-V142 HydrophobicContact CE2-CG1 4.02Å; F140-P173 HydrophobicContact CB-CB 4.35Å; F140-P173 HydrophobicContact CB-CG 4.2Å; F140-P173 HydrophobicContact CD2-CB 4.29Å; F140-P173 HydrophobicContact CD2-CG 3.71Å; F140-P173 HydrophobicContact CE2-CG 4.45Å; F140-P173 HydrophobicContact CG-CG 4.26Å; F140-F175 HydrophobicContact CB-CB 3.86Å; F140-L263 HydrophobicContact CD1-CD1 3.62Å; F140-L263 HydrophobicContact CE1-CD1 3.41Å; F140-L263 VanDerWaalsContact CE1-CD1 3.41Å; F140-L263 HydrophobicContact CE2-CD1 4.42Å; F140-L263 HydrophobicContact CG-CD1 4.21Å; F140-L263 HydrophobicContact CZ-CD1 3.83Å; F140-L266 HydrophobicContact CE1-CD2 4.43Å; F140-L266 HydrophobicContact CZ-CD2 4.12Å; F140-L266 HydrophobicContact CZ-CG 4.34Å; F140-I270 HydrophobicContact CE2-CD1 4.29Å; F140-I270 HydrophobicContact CZ-CD1 3.97Å
141N96.2Very high86.2Confident58 Ų5861.7 Ų61.731%0.3134%0.341SS..EExtended strand (participates in β ladder)trans-125.6131.3178-161.2-48.2000109.9T123 N143 P173T123-N141 WeakPolarHBondContact CB-OD1 3.5Å; T123-N141 WeakPolarHBondContact O-CA 3.37Å; T123-N141 PolarHBondContact O-OD1 3.33Å; T123-N141 PolarHBondContact OG1-ND2 3.12Å; T123-N141 PolarHBondContact OG1-OD1 2.99Å; N141-N143 VanDerWaalsContact C-N 3.28Å; N141-N143 PolarHBondContact O-N 3.39Å; N141-N143 WeakPolarHBondContact OD1-CB 3.3Å; N141-N143 VanDerWaalsContact OD1-CG 3.28Å; N141-N143 PolarHBondContact OD1-N 3.22Å; N141-N143 PolarHBondContact OD1-ND2 3.36Å; N141-P173 WeakPolarHBondContact O-CB 3.42Å
142V95.4Very high84.2Confident9 Ų963.4 Ų63.46%0.05535%0.35CS..  trans-79-10.1-179.2-58.80000113.5T123 F140 N144 S145 I270 E271T123-V142 HydrophobicContact CG2-CG2 4.19Å; T123-V142 PolarHBondContact O-N 3.05Å; F140-V142 HydrophobicContact CD2-CG1 4.33Å; F140-V142 HydrophobicContact CE2-CG1 4.02Å; V142-N144 PolarHBondContact O-N 2.91Å; V142-S145 VanDerWaalsContact O-CB 3.32Å; V142-S145 WeakPolarHBondContact O-CB 3.49Å; V142-S145 PolarHBondContact O-OG 3.47Å; V142-I270 HydrophobicContact CB-CG2 4.49Å; V142-I270 HydrophobicContact CG1-CB 4.03Å; V142-I270 HydrophobicContact CG1-CG2 3.62Å; V142-I270 HydrophobicContact CG2-CG2 4.16Å; V142-E271 HydrophobicContact CB-CB 4.31Å
143N94.1Very high82.1Confident89 Ų8965.8 Ų65.848%0.47635%0.348SS..THydrogen-bonded Turntrans-64.2135.6173.9-67.9-37.6000110.9T123 N141 S145T123-N143 WeakPolarHBondContact CG2-OD1 3.45Å; T123-N143 PolarHBondContact OG1-ND2 2.82Å; N141-N143 VanDerWaalsContact C-N 3.28Å; N141-N143 PolarHBondContact O-N 3.39Å; N141-N143 WeakPolarHBondContact OD1-CB 3.3Å; N141-N143 VanDerWaalsContact OD1-CG 3.28Å; N141-N143 PolarHBondContact OD1-N 3.22Å; N141-N143 PolarHBondContact OD1-ND2 3.36Å; N143-S145 PolarHBondContact O-N 3.45Å; N143-S145 VanDerWaalsContact O-N 3.14Å
144N90.6Very high79.9Confident171 Ų17170 Ų7091%0.91437%0.366SS*.THydrogen-bonded Turntrans54.331.6176.8-62.789.1000113.4V142V142-N144 PolarHBondContact O-N 2.91Å
145S90.3Very high77.5Confident7 Ų776.6 Ų76.65%0.04940%0.397CS..  trans-95.1-9.7-175.461.60000114.1V142 N143 P147 S171 T172V142-S145 VanDerWaalsContact O-CB 3.32Å; V142-S145 WeakPolarHBondContact O-CB 3.49Å; V142-S145 PolarHBondContact O-OG 3.47Å; N143-S145 PolarHBondContact O-N 3.45Å; N143-S145 VanDerWaalsContact O-N 3.14Å; S145-P147 WeakPolarHBondContact O-CD 3.49Å; S145-S171 VanDerWaalsContact CB-OG 3.26Å; S145-S171 WeakPolarHBondContact CB-OG 3.1Å; S145-S171 PolarHBondContact OG-OG 3.37Å; S145-T172 CarbonylContact O-C 3.56Å; S145-T172 PolarHBondContact O-N 3.49Å
146I89.1Confident74.9Confident70 Ų7081.9 Ų81.936%0.35942%0.423SS..SBendtrans-89.6115.7178-61.3161.2000107.5I169 E271I146-I169 HydrophobicContact CB-CG2 4.48Å; I146-I169 HydrophobicContact CD1-CG2 3.34Å; I146-I169 HydrophobicContact CG1-CG2 3.69Å; I146-I169 HydrophobicContact CG2-CG2 3.93Å; I146-E271 HydrophobicContact CD1-CG 4.02Å; I146-E271 HydrophobicContact CG1-CG 4.46Å
147P82.9Confident72.5Confident55 Ų5584.5 Ų84.536%0.35745%0.45SS..  trans-64.8143.1176.225.7-30.6000109.8S145 N149S145-P147 WeakPolarHBondContact O-CD 3.49Å; P147-N149 PolarHBondContact O-N 3.24Å; P147-N149 VanDerWaalsContact O-N 3.16Å
148P73.1Confident70Confident83 Ų8393.3 Ų93.354%0.53949%0.491SS..  trans-59.8121.6173.925-32.6000109.3F150P148-F150 HydrophobicContact CB-CE2 4.15Å; P148-F150 HydrophobicContact CB-CZ 4.31Å; P148-F150 HydrophobicContact CG-CD2 4.18Å; P148-F150 HydrophobicContact CG-CE2 3.5Å; P148-F150 VanDerWaalsContact CG-CE2 3.5Å; P148-F150 HydrophobicContact CG-CZ 3.88Å; P148-F150 VanDerWaalsContact O-CD2 3.29Å; P148-F150 WeakPolarHBondContact O-CD2 3.22Å; P148-F150 PolarHBondContact O-N 3.47Å
149N59.1Low67.2Low91 Ų91102.3 Ų102.349%0.48753%0.533SS..  trans-68.994-179.5-15424.7000109.6P147 E151 D152P147-N149 PolarHBondContact O-N 3.24Å; P147-N149 VanDerWaalsContact O-N 3.16Å; N149-E151 PolarHBondContact O-N 2.83Å; N149-D152 PolarHBondContact ND2-OD2 2.84Å
150F52.3Low64.7Low148 Ų148110 Ų11065%0.64957%0.566SS**  trans-77.5-9.1175.8-70.9-72.8000112.5P148P148-F150 HydrophobicContact CB-CE2 4.15Å; P148-F150 HydrophobicContact CB-CZ 4.31Å; P148-F150 HydrophobicContact CG-CD2 4.18Å; P148-F150 HydrophobicContact CG-CE2 3.5Å; P148-F150 VanDerWaalsContact CG-CE2 3.5Å; P148-F150 HydrophobicContact CG-CZ 3.88Å; P148-F150 VanDerWaalsContact O-CD2 3.29Å; P148-F150 WeakPolarHBondContact O-CD2 3.22Å; P148-F150 PolarHBondContact O-N 3.47Å
151E49.9Very low62Low145 Ų145116.5 Ų116.568%0.67859%0.594SS**G310 helixtrans-82.7-22.2-176.3-58.9-170.5164.200113.4N149 E153 V154N149-E151 PolarHBondContact O-N 2.83Å; E151-E153 PolarHBondContact O-N 3.49Å; E151-V154 WeakPolarHBondContact O-CG2 3.4Å; E151-V154 PolarHBondContact O-N 2.94Å
152D47.5Very low59Low90 Ų90116.7 Ų116.748%0.48160%0.6SS.*G310 helixtrans-70.3-12.4178.6-79.3-36.4000113.7N149N149-D152 PolarHBondContact ND2-OD2 2.84Å
153E42.9Very low56.5Low172 Ų172122.9 Ų122.980%0.80464%0.64SS**G310 helixtrans-85-15.9177.1-75.5-165155.400113.9E151E151-E153 PolarHBondContact O-N 3.49Å
154V43.6Very low54Low127 Ų127126.9 Ų126.977%0.7766%0.656SS**THydrogen-bonded Turntrans-100.6-14.9-176.1-1020000114.9E151E151-V154 WeakPolarHBondContact O-CG2 3.4Å; E151-V154 PolarHBondContact O-N 2.94Å
155E42.2Very low51.8Low168 Ų168123.4 Ų123.479%0.78564%0.638SS**  trans-103.724.6-175.3-97.6-165.8160.200115.9G157E155-G157 PolarHBondContact O-N 3.5Å
156Q40.4Very low50Low193 Ų193129 Ų12990%0.90266%0.663SS**  trans-74.131.4166.6-72.4-168.430.300113.8
157G44.8Very low48.5Very low55 Ų55129.4 Ų129.457%0.56767%0.67SS**SBendtrans-14480.6-176.900000112.5E155E155-G157 PolarHBondContact O-N 3.5Å
158Q44.8Very low47.8Very low186 Ų186133.2 Ų133.287%0.86968%0.683SS**SBendtrans81.788.5166.8-50.6172.915.800116.8
159Q38.2Very low48.2Very low189 Ų189133.9 Ų133.988%0.88368%0.681SS**  -167.1143.6121.1-105.7157.440.600110.6K161Q159-K161 PolarHBondContact O-N 2.89Å
160Q44.9Very low49.6Very low199 Ų199132.4 Ų132.493%0.9368%0.676SS**  trans-63.197.7171.4-74.7173.2-71.400108.2S162Q160-S162 PolarHBondContact O-N 3.33Å
161K39.2Very low51.5Low142 Ų142125.4 Ų125.462%0.61765%0.645SS**  trans-66.4118.9170.7-139.7171.2-176.21730108Q159Q159-K161 PolarHBondContact O-N 2.89Å
162S34.5Very low53.6Low62 Ų62119.8 Ų119.843%0.43462%0.62SS.*  trans-53.1145.9167.51.30000109.4Q160 E164 D165Q160-S162 PolarHBondContact O-N 3.33Å; S162-E164 PolarHBondContact O-N 2.91Å; S162-D165 PolarHBondContact OG-OD2 3.35Å; S162-D165 VanDerWaalsContact OG-OD2 3.1Å
163P41.3Very low55.9Low138 Ų138115.6 Ų115.690%0.89660%0.598SS**THydrogen-bonded Turntrans-72.316.5177.231.9-34.8000113.8
164E41.4Very low58.4Low174 Ų174111.2 Ų111.281%0.81358%0.58SS**THydrogen-bonded Turntrans-115.2-9.5-178.1-71.9-174.916800113.6S162 E166S162-E164 PolarHBondContact O-N 2.91Å; E164-E166 PolarHBondContact O-N 3.24Å
165D44.8Very low61Low98 Ų98105.2 Ų105.252%0.52454%0.544SS..  trans-101.671.4178.4-62.6-53.2000109.8S162S162-D165 PolarHBondContact OG-OD2 3.35Å; S162-D165 VanDerWaalsContact OG-OD2 3.1Å
166E53.9Low63.6Low123 Ų12399.6 Ų99.658%0.57552%0.521SS*.  trans-58.4140.8161.6-74.5-178.9169.300108.9I103 E164 E168I103-E166 VanDerWaalsContact CD1-OE2 3.23Å; I103-E166 WeakPolarHBondContact CD1-OE2 3.49Å; E164-E166 PolarHBondContact O-N 3.24Å; E166-E168 PolarHBondContact O-N 2.89Å
167P56.3Low66.3Low80 Ų8090.4 Ų90.452%0.51948%0.478SS..  trans-56.3118.5178.624.1-31.7000108.3I169P167-I169 VanDerWaalsContact C-N 3.34Å; P167-I169 PolarHBondContact O-N 2.83Å
168E69.3Low68.8Low135 Ų13590.4 Ų90.463%0.63146%0.463SS*.  trans-6899.5175.1-176.5150.4-132.600107.1K105 E166 V170K105-E168 IonicContact NZ-OE1 3.12Å; K105-E168 PolarHBondContact NZ-OE1 3.46Å; E166-E168 PolarHBondContact O-N 2.89Å; E168-V170 HydrophobicContact CG-CG2 4.17Å; E168-V170 PolarHBondContact O-N 3.49Å; E168-V170 VanDerWaalsContact O-N 3.12Å
169I81.4Confident71.2Confident96 Ų9681.7 Ų81.749%0.49242%0.423SS..  trans-67.2111.3175.6-62.6175.4000106.5I146 P167 T268I146-I169 HydrophobicContact CB-CG2 4.48Å; I146-I169 HydrophobicContact CD1-CG2 3.34Å; I146-I169 HydrophobicContact CG1-CG2 3.69Å; I146-I169 HydrophobicContact CG2-CG2 3.93Å; P167-I169 VanDerWaalsContact C-N 3.34Å; P167-I169 PolarHBondContact O-N 2.83Å; I169-T268 WeakPolarHBondContact O-CG2 3.11Å
170V88.8Confident73.9Confident61 Ų6173.1 Ų73.137%0.3738%0.383SS..  trans-101.5129.2177.1-175.60000109.1E168 T172 T264E168-V170 HydrophobicContact CG-CG2 4.17Å; E168-V170 PolarHBondContact O-N 3.49Å; E168-V170 VanDerWaalsContact O-N 3.12Å; V170-T172 HydrophobicContact CG1-CG2 4.08Å; V170-T264 HydrophobicContact CG1-CG2 3.27Å
171S91.6Very high76.2Confident1 Ų169 Ų691%0.00736%0.363CS..  trans-99.7114.1176.4173.20000109.8S145 P173 S267 T268S145-S171 VanDerWaalsContact CB-OG 3.26Å; S145-S171 WeakPolarHBondContact CB-OG 3.1Å; S145-S171 PolarHBondContact OG-OG 3.37Å; S171-P173 VanDerWaalsContact C-CD 3.47Å; S171-P173 VanDerWaalsContact O-CD 3.26Å; S171-P173 WeakPolarHBondContact O-CD 3.27Å; S171-S267 PolarHBondContact OG-OG 2.84Å; S171-T268 PolarHBondContact N-OG1 3.17Å
172T94.4Very high78.5Confident26 Ų2670.5 Ų70.516%0.1637%0.371CS..  trans-116.673179.154.70000110S145 V170 F194 T264S145-T172 CarbonylContact O-C 3.56Å; S145-T172 PolarHBondContact O-N 3.49Å; V170-T172 HydrophobicContact CG1-CG2 4.08Å; T172-F194 HydrophobicContact CG2-CB 4.46Å; T172-F194 HydrophobicContact CG2-CD2 4.44Å; T172-F194 HydrophobicContact CG2-CG 4.26Å; T172-T264 HydrophobicContact CG2-CG2 4.07Å
173P95.6Very high80.8Confident2 Ų271.2 Ų71.21%0.01339%0.389CS..  trans-71.5150.6-177.233.1-38.5000111.5F140 N141 S171 F194 S267F140-P173 HydrophobicContact CB-CB 4.35Å; F140-P173 HydrophobicContact CB-CG 4.2Å; F140-P173 HydrophobicContact CD2-CB 4.29Å; F140-P173 HydrophobicContact CD2-CG 3.71Å; F140-P173 HydrophobicContact CE2-CG 4.45Å; F140-P173 HydrophobicContact CG-CG 4.26Å; N141-P173 WeakPolarHBondContact O-CB 3.42Å; S171-P173 VanDerWaalsContact C-CD 3.47Å; S171-P173 VanDerWaalsContact O-CD 3.26Å; S171-P173 WeakPolarHBondContact O-CD 3.27Å; P173-F194 WeakPolarHBondContact O-CD2 3.33Å; P173-F194 WeakPolarHBondContact O-CE2 3.13Å; P173-S267 VanDerWaalsContact CD-OG 3.31Å; P173-S267 WeakPolarHBondContact CD-OG 3.39Å; P173-S267 VanDerWaalsContact CG-OG 3.29Å; P173-S267 WeakPolarHBondContact CG-OG 3.49Å
174N96Very high82.7Confident81 Ų8166 Ų6643%0.43336%0.36SS..  trans-63.8144.8161-60.5-35.2000109.3C192 H193N174-C192 WeakPolarHBondContact CA-O 3.41Å; N174-H193 WeakPolarHBondContact OD1-CB 3.48Å
175F97.4Very high84.9Confident0 Ų065.7 Ų65.70%036%0.356CS..EExtended strand (participates in β ladder)trans-137.6144.2-178.663.1-86.6000111.2V138 T139 F140 I177 C192 F194 F211 V255 F259 L263V138-F175 HydrophobicContact CG1-CB 4.05Å; V138-F175 HydrophobicContact CG1-CD2 3.77Å; V138-F175 HydrophobicContact CG1-CG 4.32Å; T139-F175 CarbonylContact O-C 3.58Å; T139-F175 WeakPolarHBondContact O-CA 3.38Å; F140-F175 HydrophobicContact CB-CB 3.86Å; F175-I177 HydrophobicContact CD2-CD1 4.37Å; F175-I177 HydrophobicContact CD2-CG1 3.94Å; F175-I177 HydrophobicContact CE2-CD1 3.91Å; F175-I177 HydrophobicContact CE2-CG1 3.98Å; F175-C192 HydrophobicContact CD1-CB 4.19Å; F175-C192 HydrophobicContact CD2-CB 3.85Å; F175-C192 HydrophobicContact CE1-CB 3.87Å; F175-C192 HydrophobicContact CE2-CB 3.52Å; F175-C192 HydrophobicContact CG-CB 4.19Å; F175-C192 HydrophobicContact CZ-CB 3.53Å; F175-C192 PolarHBondContact N-O 2.87Å; F175-C192 WeakPolarHBondContact O-CA 3.47Å; F175-C192 WeakPolarHBondContact O-CB 3.23Å; F175-C192 PolarHBondContact O-N 3.02Å; F175-F194 AromaticContact CD1-CE2 3.93Å; F175-F194 HydrophobicContact CD1-CE2 3.93Å; F175-F194 HydrophobicContact CD1-CZ 4.39Å; F175-F194 HydrophobicContact CE1-CD2 4.46Å; F175-F194 AromaticContact CE1-CE2 3.83Å; F175-F194 HydrophobicContact CE1-CE2 3.83Å; F175-F194 AromaticContact CE1-CZ 3.95Å; F175-F194 HydrophobicContact CE1-CZ 3.95Å; F175-F211 HydrophobicContact CE1-CB 4.02Å; F175-F211 HydrophobicContact CE1-CD2 4.49Å; F175-F211 HydrophobicContact CE1-CG 4.32Å; F175-F211 HydrophobicContact CE2-CD2 4.37Å; F175-F211 HydrophobicContact CZ-CB 3.9Å; F175-F211 HydrophobicContact CZ-CD1 4.34Å; F175-F211 AromaticContact CZ-CD2 3.64Å; F175-F211 HydrophobicContact CZ-CD2 3.64Å; F175-F211 HydrophobicContact CZ-CE2 4.23Å; F175-F211 AromaticContact CZ-CG 3.69Å; F175-F211 HydrophobicContact CZ-CG 3.69Å; F175-V255 HydrophobicContact CE2-CG1 4.45Å; F175-F259 HydrophobicContact CE2-CE1 4.31Å; F175-L263 HydrophobicContact CB-CD2 4.04Å; F175-L263 HydrophobicContact CD1-CD2 3.52Å; F175-L263 HydrophobicContact CD2-CD2 4.17Å; F175-L263 HydrophobicContact CE1-CD2 3.91Å; F175-L263 HydrophobicContact CE2-CD2 4.48Å; F175-L263 HydrophobicContact CG-CD2 3.66Å; F175-L263 HydrophobicContact CZ-CD2 4.36Å
176V97.1Very high87.1Confident50 Ų5066.2 Ų66.230%0.30336%0.355SS..EExtended strand (participates in β ladder)trans-112.4123.4-176.4-179.60000108.8V138 T139 V189 F190V138-V176 CarbonylContact C-O 3.56Å; V138-V176 VanDerWaalsContact CA-O 3.32Å; V138-V176 WeakPolarHBondContact CA-O 3.47Å; T139-V176 PolarHBondContact N-O 3.42Å; T139-V176 PolarHBondContact O-N 3.06Å; V176-V189 HydrophobicContact CG1-CG1 3.32Å; V176-F190 CarbonylContact C-O 3.42Å; V176-F190 WeakPolarHBondContact CA-O 3.38Å
177I97.3Very high89Confident0 Ų060.4 Ų60.40%033%0.328CS..EExtended strand (participates in β ladder)trans-101.5119178-48.3160.7000108.3I136 T137 V138 F175 V179 V189 F190 C192 L250 V255I136-I177 HydrophobicContact CG2-CG2 4.06Å; T137-I177 CarbonylContact O-C 3.5Å; T137-I177 WeakPolarHBondContact O-CA 3.36Å; V138-I177 HydrophobicContact CG2-CG1 4.2Å; V138-I177 HydrophobicContact CG2-CG2 4.26Å; F175-I177 HydrophobicContact CD2-CD1 4.37Å; F175-I177 HydrophobicContact CD2-CG1 3.94Å; F175-I177 HydrophobicContact CE2-CD1 3.91Å; F175-I177 HydrophobicContact CE2-CG1 3.98Å; I177-V179 HydrophobicContact CG2-CG2 4.18Å; I177-V189 CarbonylContact O-C 3.59Å; I177-V189 VanDerWaalsContact O-CA 3.29Å; I177-V189 WeakPolarHBondContact O-CA 3.31Å; I177-F190 HydrophobicContact CB-CB 4.25Å; I177-F190 HydrophobicContact CD1-CB 4.38Å; I177-F190 PolarHBondContact N-O 3.47Å; I177-F190 PolarHBondContact O-N 2.96Å; I177-C192 VanDerWaalsContact CD1-SG 3.58Å; I177-L250 HydrophobicContact CB-CD2 4.49Å; I177-L250 HydrophobicContact CD1-CD1 3.61Å; I177-L250 HydrophobicContact CD1-CD2 3.73Å; I177-L250 HydrophobicContact CD1-CG 4.25Å; I177-L250 HydrophobicContact CG2-CD2 4.04Å; I177-V255 HydrophobicContact CD1-CB 4.45Å; I177-V255 HydrophobicContact CD1-CG1 3.62Å; I177-V255 HydrophobicContact CG1-CG1 4.38Å
178E95.7Very high90.9Very high55 Ų5558.2 Ų58.226%0.25731%0.312SS..EExtended strand (participates in β ladder)trans-107.5123.1172.3-177.2-175-165.300109.7I136 T137 S187 V189I136-E178 WeakPolarHBondContact CA-O 3.48Å; T137-E178 PolarHBondContact N-O 3.04Å; T137-E178 PolarHBondContact O-N 2.81Å; E178-S187 WeakPolarHBondContact OE1-CB 3.38Å; E178-S187 PolarHBondContact OE1-OG 2.85Å; E178-V189 HydrophobicContact CB-CG2 4.45Å; E178-V189 HydrophobicContact CG-CG2 4.17Å
179V95.9Very high92.1Very high4 Ų452.2 Ų52.22%0.02428%0.284CS..EExtended strand (participates in β ladder)trans-113112.6174.6-176.50000109.7I136 I177 S187 L188 F249I136-V179 HydrophobicContact CG1-CG2 4.44Å; I136-V179 HydrophobicContact CG2-CG2 4.41Å; I177-V179 HydrophobicContact CG2-CG2 4.18Å; V179-S187 WeakPolarHBondContact O-CA 3.46Å; V179-L188 PolarHBondContact N-O 2.73Å; V179-L188 PolarHBondContact O-N 2.71Å; V179-F249 HydrophobicContact CB-CE1 4.43Å; V179-F249 HydrophobicContact CG1-CE1 4.38Å; V179-F249 HydrophobicContact CG1-CZ 4.14Å; V179-F249 HydrophobicContact CG2-CE1 4.1Å
180T94.5Very high92.9Very high8 Ų847.8 Ų47.85%0.04926%0.261CS..EExtended strand (participates in β ladder)trans-111.5123.7178.7-44.60000109.9E134 K135 S187 E221E134-T180 CarbonylContact C-O 3.59Å; E134-T180 WeakPolarHBondContact CA-O 3.49Å; K135-T180 PolarHBondContact N-O 3.29Å; K135-T180 PolarHBondContact O-N 3.2Å; T180-S187 PolarHBondContact OG1-OG 2.82Å; T180-E221 HydrophobicContact CG2-CB 4.48Å; T180-E221 HydrophobicContact CG2-CG 3.83Å; T180-E221 WeakPolarHBondContact CG2-OE2 3.22Å
181K93.2Very high93.3Very high114 Ų11445.8 Ų45.850%0.49625%0.249SC..EExtended strand (participates in β ladder)trans-85.9143.6174.3-58-167.8179.2-170.10110.3E134 G183 G184E134-K181 HydrophobicContact CG-CG 4.14Å; E134-K181 WeakPolarHBondContact OE1-CE 3.24Å; E134-K181 IonicContact OE1-NZ 3.76Å; K181-G183 PolarHBondContact O-N 3.08Å; K181-G184 PolarHBondContact O-N 3.01Å
182Q89Confident93.6Very high172 Ų17245.8 Ų45.880%0.80425%0.248SC*.THydrogen-bonded Turntrans-56.5122.6177.2-179.1175.634.300111.4G133 G184G133-Q182 WeakPolarHBondContact O-CB 3.42Å; G133-Q182 PolarHBondContact O-N 3.22Å; Q182-G184 VanDerWaalsContact C-N 3.27Å; Q182-G184 PolarHBondContact O-N 3.29Å
183G82.1Confident93.6Very high78 Ų7847 Ų4780%0.80425%0.252SS*.THydrogen-bonded Turntrans77.49.9-177.400000114.4K181K181-G183 PolarHBondContact O-N 3.08Å
184G81.1Confident93.4Very high27 Ų2747.9 Ų47.928%0.27826%0.256SS..  trans-62.3162166.100000111.6K181 Q182K181-G184 PolarHBondContact O-N 3.01Å; Q182-G184 VanDerWaalsContact C-N 3.27Å; Q182-G184 PolarHBondContact O-N 3.29Å
185K87.1Confident93Very high168 Ų16845.9 Ų45.973%0.7325%0.247SC*.SBendtrans-108.7-8.3165.8-64.5-177.1-180179.90111.7E221K185-E221 PolarHBondContact O-N 3.42Å
186H90.6Very high91.7Very high110 Ų11053.2 Ų53.251%0.50928%0.281SS..EExtended strand (participates in β ladder)trans-141145-172-57.2-66000108.3F218 Q219H186-F218 HydrophobicContact CB-CD1 4.48Å; H186-Q219 CarbonylContact C-O 3.54Å; H186-Q219 WeakPolarHBondContact CA-O 3.27Å; H186-Q219 WeakPolarHBondContact CB-O 3.26Å
187S94.3Very high89.8Confident0 Ų058 Ų580%031%0.305CS..EExtended strand (participates in β ladder)trans-101.5144.7168-53.30000109.3E178 V179 T180 F218 Q219E178-S187 WeakPolarHBondContact OE1-CB 3.38Å; E178-S187 PolarHBondContact OE1-OG 2.85Å; V179-S187 WeakPolarHBondContact O-CA 3.46Å; T180-S187 PolarHBondContact OG1-OG 2.82Å; S187-F218 WeakPolarHBondContact O-CA 3.29Å; S187-Q219 PolarHBondContact N-O 2.84Å; S187-Q219 PolarHBondContact O-N 3.4Å
188L95.6Very high87.4Confident35 Ų3564.7 Ų64.718%0.18334%0.336CS..EExtended strand (participates in β ladder)trans-87.8123.9167.5-177.861.5000107.7V179 F190 V216 F218 F249V179-L188 PolarHBondContact N-O 2.73Å; V179-L188 PolarHBondContact O-N 2.71Å; L188-F190 HydrophobicContact CB-CE2 4.38Å; L188-F190 HydrophobicContact CD2-CE1 4.5Å; L188-F190 HydrophobicContact CD2-CE2 3.56Å; L188-F190 HydrophobicContact CD2-CZ 3.41Å; L188-F190 VanDerWaalsContact CD2-CZ 3.41Å; L188-F190 HydrophobicContact CG-CD2 4.32Å; L188-F190 HydrophobicContact CG-CE2 3.51Å; L188-F190 HydrophobicContact CG-CZ 3.73Å; L188-V216 HydrophobicContact CD1-CG1 3.73Å; L188-F218 HydrophobicContact CB-CD1 4.46Å; L188-F218 HydrophobicContact CB-CE1 4.18Å; L188-F218 HydrophobicContact CD1-CD1 4.15Å; L188-F218 HydrophobicContact CD1-CD2 4.5Å; L188-F218 HydrophobicContact CD1-CE1 3.81Å; L188-F218 HydrophobicContact CD1-CE2 4.18Å; L188-F218 HydrophobicContact CD1-CG 4.49Å; L188-F218 HydrophobicContact CD1-CZ 3.83Å; L188-F249 HydrophobicContact CD2-CE1 4.1Å; L188-F249 HydrophobicContact CD2-CZ 4.2Å
189V96.4Very high85.1Confident8 Ų869.4 Ų69.45%0.04836%0.36CS..EExtended strand (participates in β ladder)trans-117.3127.4-174.3-172.50000110.1V176 I177 E178 V216 S217 Q219 W226V176-V189 HydrophobicContact CG1-CG1 3.32Å; I177-V189 CarbonylContact O-C 3.59Å; I177-V189 VanDerWaalsContact O-CA 3.29Å; I177-V189 WeakPolarHBondContact O-CA 3.31Å; E178-V189 HydrophobicContact CB-CG2 4.45Å; E178-V189 HydrophobicContact CG-CG2 4.17Å; V189-V216 CarbonylContact O-C 3.2Å; V189-V216 WeakPolarHBondContact O-CA 3.34Å; V189-S217 PolarHBondContact N-O 3.19Å; V189-S217 PolarHBondContact O-N 3.09Å; V189-Q219 HydrophobicContact CB-CG 4.27Å; V189-Q219 HydrophobicContact CG2-CB 3.84Å; V189-Q219 HydrophobicContact CG2-CG 3.61Å; V189-W226 HydrophobicContact CB-CZ3 4.33Å; V189-W226 HydrophobicContact CG1-CH2 4.27Å; V189-W226 HydrophobicContact CG1-CZ3 3.83Å
190F97.6Very high82.3Confident3 Ų373.9 Ų73.91%0.01339%0.392CS..EExtended strand (participates in β ladder)trans-113.2126.7175.5-57-98.9000108.6V176 I177 L188 I213 E215 V216 M246 F249 L250V176-F190 CarbonylContact C-O 3.42Å; V176-F190 WeakPolarHBondContact CA-O 3.38Å; I177-F190 HydrophobicContact CB-CB 4.25Å; I177-F190 HydrophobicContact CD1-CB 4.38Å; I177-F190 PolarHBondContact N-O 3.47Å; I177-F190 PolarHBondContact O-N 2.96Å; L188-F190 HydrophobicContact CB-CE2 4.38Å; L188-F190 HydrophobicContact CD2-CE1 4.5Å; L188-F190 HydrophobicContact CD2-CE2 3.56Å; L188-F190 HydrophobicContact CD2-CZ 3.41Å; L188-F190 VanDerWaalsContact CD2-CZ 3.41Å; L188-F190 HydrophobicContact CG-CD2 4.32Å; L188-F190 HydrophobicContact CG-CE2 3.51Å; L188-F190 HydrophobicContact CG-CZ 3.73Å; F190-I213 HydrophobicContact CB-CG2 4.44Å; F190-I213 HydrophobicContact CD1-CD1 4.04Å; F190-I213 HydrophobicContact CD1-CG2 4.08Å; F190-I213 HydrophobicContact CE1-CD1 4.44Å; F190-E215 WeakPolarHBondContact CA-O 3.26Å; F190-V216 HydrophobicContact CD1-CB 4.45Å; F190-V216 HydrophobicContact CD1-CG1 4.04Å; F190-V216 HydrophobicContact CD1-CG2 3.64Å; F190-V216 HydrophobicContact CE1-CG1 3.96Å; F190-V216 HydrophobicContact CE1-CG2 4.02Å; F190-M246 HydrophobicContact CE1-CB 4.16Å; F190-M246 HydrophobicContact CE1-CG 4.27Å; F190-F249 HydrophobicContact CE2-CD1 4.09Å; F190-F249 AromaticContact CE2-CE1 3.84Å; F190-F249 HydrophobicContact CE2-CE1 3.84Å; F190-F249 AromaticContact CZ-CD1 3.83Å; F190-F249 HydrophobicContact CZ-CD1 3.83Å; F190-F249 AromaticContact CZ-CE1 3.95Å; F190-F249 HydrophobicContact CZ-CE1 3.95Å; F190-L250 HydrophobicContact CD1-CD1 4.4Å; F190-L250 HydrophobicContact CD2-CD2 3.81Å; F190-L250 HydrophobicContact CE2-CD2 3.89Å; F190-L250 HydrophobicContact CG-CD1 4.42Å; F190-L250 HydrophobicContact CG-CD2 4.17Å; F190-L250 HydrophobicContact CZ-CD2 4.32Å
191D96.8Very high79.7Confident20 Ų2082.2 Ų82.211%0.10743%0.43CS..EExtended strand (participates in β ladder)trans-97.6116.4170.9179.133000108.4R214 E215D191-R214 PolarHBondContact O-N 2.74Å; D191-R214 IonicContact OD1-NH2 3.72Å; D191-R214 IonicContact OD2-CZ 3.18Å; D191-R214 IonicContact OD2-NE 2.96Å; D191-R214 PolarHBondContact OD2-NE 3.33Å; D191-R214 IonicContact OD2-NH2 2.65Å; D191-R214 PolarHBondContact OD2-NH2 2.86Å; D191-E215 HydrophobicContact CB-CB 4.07Å; D191-E215 PolarHBondContact N-O 3.12Å; D191-E215 PolarHBondContact O-N 3.2Å
192C96.9Very high77Confident0 Ų080.1 Ų80.10%044%0.441CS..EExtended strand (participates in β ladder)trans-117.4149.8-172.1-63.90000110.9N174 F175 I177 F211 A212N174-C192 WeakPolarHBondContact CA-O 3.41Å; F175-C192 HydrophobicContact CD1-CB 4.19Å; F175-C192 HydrophobicContact CD2-CB 3.85Å; F175-C192 HydrophobicContact CE1-CB 3.87Å; F175-C192 HydrophobicContact CE2-CB 3.52Å; F175-C192 HydrophobicContact CG-CB 4.19Å; F175-C192 HydrophobicContact CZ-CB 3.53Å; F175-C192 PolarHBondContact N-O 2.87Å; F175-C192 WeakPolarHBondContact O-CA 3.47Å; F175-C192 WeakPolarHBondContact O-CB 3.23Å; F175-C192 PolarHBondContact O-N 3.02Å; I177-C192 VanDerWaalsContact CD1-SG 3.58Å; C192-F211 HydrophobicContact CB-CD2 4.02Å; C192-A212 WeakPolarHBondContact CA-O 3.48Å
193H95.2Very high74.6Confident53 Ų5381.9 Ų81.925%0.24545%0.449CS..EExtended strand (participates in β ladder)trans-143.5159.9179.171.1-59.4000111.1N174 F211 A212N174-H193 WeakPolarHBondContact OD1-CB 3.48Å; H193-F211 WeakPolarHBondContact O-CA 3.32Å; H193-A212 PolarHBondContact N-O 2.88Å; H193-A212 PolarHBondContact ND1-O 3.16Å; H193-A212 PolarHBondContact O-N 3.12Å
194F92.4Very high72.6Confident20 Ų2080.8 Ų80.89%0.08844%0.438CS..  trans-88.7119.1170.4-65.6-85.8000108.6T172 P173 F175 I210 F211 A260 L263 T264T172-F194 HydrophobicContact CG2-CB 4.46Å; T172-F194 HydrophobicContact CG2-CD2 4.44Å; T172-F194 HydrophobicContact CG2-CG 4.26Å; P173-F194 WeakPolarHBondContact O-CD2 3.33Å; P173-F194 WeakPolarHBondContact O-CE2 3.13Å; F175-F194 AromaticContact CD1-CE2 3.93Å; F175-F194 HydrophobicContact CD1-CE2 3.93Å; F175-F194 HydrophobicContact CD1-CZ 4.39Å; F175-F194 HydrophobicContact CE1-CD2 4.46Å; F175-F194 AromaticContact CE1-CE2 3.83Å; F175-F194 HydrophobicContact CE1-CE2 3.83Å; F175-F194 AromaticContact CE1-CZ 3.95Å; F175-F194 HydrophobicContact CE1-CZ 3.95Å; F194-I210 HydrophobicContact CD1-CG2 4.18Å; F194-I210 WeakPolarHBondContact CD1-O 3.47Å; F194-I210 HydrophobicContact CE1-CG2 4.03Å; F194-F211 HydrophobicContact CD1-CB 4.49Å; F194-A260 HydrophobicContact CE1-CB 4.11Å; F194-L263 HydrophobicContact CE2-CD2 4.49Å; F194-L263 HydrophobicContact CZ-CD2 4.31Å; F194-T264 WeakPolarHBondContact CE1-OG1 3.43Å; F194-T264 WeakPolarHBondContact CZ-OG1 3.26Å
195P86.8Confident70.7Confident38 Ų3889.5 Ų89.525%0.24747%0.471CS..  trans-63138.6176.9-20.832.5000111.9A212P195-A212 HydrophobicContact CG-CB 3.98Å
196E71.2Confident68.8Low155 Ų15590 Ų9072%0.72448%0.476SS*.SBendtrans-80.2-22.4179.8-65.1179.8-17700113.1
197D55.2Low67Low149 Ų14992.9 Ų92.980%0.79749%0.49SS*.SBendtrans-99.9-0.4-163.4-78.8-31.9000116
198E47.7Very low65.8Low141 Ų14196.6 Ų96.666%0.65952%0.516SS*.  trans-125.115.3-162.9-66.7-92.1163.300115.2S200E198-S200 PolarHBondContact O-N 2.83Å
199M47.3Very low65.2Low154 Ų15498.7 Ų98.776%0.75953%0.527SS*.SBendtrans-78.90.9169.2-52.9-167.3-158.800113
200S37.4Very low65Low99 Ų99100.9 Ų100.969%0.69254%0.538SS*.SBendtrans-111.290-179172.80000112E198 G202E198-S200 PolarHBondContact O-N 2.83Å; S200-G202 PolarHBondContact O-N 3.32Å
201H40.4Very low64.8Low183 Ų183100.9 Ų100.985%0.84754%0.538SS*.  trans28.784.7149.9-71-65.3000117.4
202G36Very low64.7Low70 Ų70100.9 Ų100.972%0.72254%0.541SS*.  trans-82.6119.7149.900000109.6S200 G204S200-G202 PolarHBondContact O-N 3.32Å; G202-G204 PolarHBondContact O-N 3.46Å
203E39.2Very low64.7Low209 Ų209101 Ų10198%0.97754%0.541SS*.SBendtrans-68.380.7175.1-54.7-179.8-143.900110.3
204G40.2Very low64.7Low55 Ų55103 Ų10357%0.56755%0.547SS*.SBendtrans-170.6118175.100000108.5G202 E206G202-G204 PolarHBondContact O-N 3.46Å; G204-E206 PolarHBondContact O-N 3.27Å
205E39.6Very low64.9Low210 Ų210105.1 Ų105.198%0.98156%0.557SS**  trans-69.657.7177.5-62.1173.5167.600111.4
206E47.6Very low65.3Low179 Ų179103.9 Ų103.984%0.83655%0.549SS*.SBendtrans-109.3120.9160.9-74.3179.8179.800106G204 S208G204-E206 PolarHBondContact O-N 3.27Å; E206-S208 PolarHBondContact O-N 3.48Å
207E54.1Low66.5Low169 Ų16996.6 Ų96.679%0.7952%0.515SS*.  trans-56.296.8-178.5-168174.1179.700108.7D209E207-D209 PolarHBondContact O-N 2.82Å
208S68.3Low68.3Low79 Ų7995.8 Ų95.855%0.55251%0.505SS*.  trans-62.6125.3179.653.10000109E206 I210E206-S208 PolarHBondContact O-N 3.48Å; S208-I210 PolarHBondContact O-N 3.48Å
209D83.8Confident70.4Confident78 Ų7889.7 Ų89.742%0.41748%0.476SS..  trans-60.6129.6176.6-68-44.9000110.4E207 F211 M247E207-D209 PolarHBondContact O-N 2.82Å; D209-F211 PolarHBondContact O-N 3.05Å; D209-M247 HydrophobicContact CB-CE 4Å
210I90.7Very high72.4Confident55 Ų5583.5 Ų83.528%0.28245%0.448SS..SBendtrans-71.5-26-177.1-59.8-175.7000111F194 S208 N257 A260 D261F194-I210 HydrophobicContact CD1-CG2 4.18Å; F194-I210 WeakPolarHBondContact CD1-O 3.47Å; F194-I210 HydrophobicContact CE1-CG2 4.03Å; S208-I210 PolarHBondContact O-N 3.48Å; I210-N257 HydrophobicContact CD1-CB 3.77Å; I210-N257 HydrophobicContact CG1-CB 3.96Å; I210-N257 PolarHBondContact N-OD1 3.38Å; I210-A260 HydrophobicContact CB-CB 4.09Å; I210-A260 HydrophobicContact CG2-CB 3.91Å; I210-D261 VanDerWaalsContact CD1-OD1 3.23Å; I210-D261 WeakPolarHBondContact CD1-OD1 3.44Å; I210-D261 WeakPolarHBondContact CD1-OD2 3.41Å
211F94.9Very high74.5Confident2 Ų283.4 Ų83.41%0.00944%0.436CS..SBendtrans-131.8156.5177.772.4-83000110.4F175 C192 H193 F194 D209 M247 L250 V255 A260F175-F211 HydrophobicContact CE1-CB 4.02Å; F175-F211 HydrophobicContact CE1-CD2 4.49Å; F175-F211 HydrophobicContact CE1-CG 4.32Å; F175-F211 HydrophobicContact CE2-CD2 4.37Å; F175-F211 HydrophobicContact CZ-CB 3.9Å; F175-F211 HydrophobicContact CZ-CD1 4.34Å; F175-F211 AromaticContact CZ-CD2 3.64Å; F175-F211 HydrophobicContact CZ-CD2 3.64Å; F175-F211 HydrophobicContact CZ-CE2 4.23Å; F175-F211 AromaticContact CZ-CG 3.69Å; F175-F211 HydrophobicContact CZ-CG 3.69Å; C192-F211 HydrophobicContact CB-CD2 4.02Å; H193-F211 WeakPolarHBondContact O-CA 3.32Å; F194-F211 HydrophobicContact CD1-CB 4.49Å; D209-F211 PolarHBondContact O-N 3.05Å; F211-M247 HydrophobicContact CD2-CE 4.49Å; F211-M247 HydrophobicContact CE1-CE 4.23Å; F211-M247 HydrophobicContact CE2-CE 3.94Å; F211-M247 HydrophobicContact CE2-SD 4.13Å; F211-M247 HydrophobicContact CZ-CE 3.79Å; F211-M247 HydrophobicContact CZ-SD 4.38Å; F211-L250 HydrophobicContact CE2-CD1 4.15Å; F211-L250 HydrophobicContact CZ-CD1 4.48Å; F211-V255 HydrophobicContact CZ-CG1 4.14Å; F211-A260 HydrophobicContact CD1-CB 3.66Å; F211-A260 HydrophobicContact CE1-CB 4.34Å; F211-A260 HydrophobicContact CG-CB 4.48Å
212A94.7Very high75.9Confident20 Ų2078.2 Ų78.217%0.16543%0.432CS..EExtended strand (participates in β ladder)trans-124.6145.6176.500000111.6C192 H193 P195 Y243C192-A212 WeakPolarHBondContact CA-O 3.48Å; H193-A212 PolarHBondContact N-O 2.88Å; H193-A212 PolarHBondContact ND1-O 3.16Å; H193-A212 PolarHBondContact O-N 3.12Å; P195-A212 HydrophobicContact CG-CB 3.98Å; A212-Y243 WeakPolarHBondContact CA-OH 3.38Å
213I95.9Very high77.5Confident2 Ų279.9 Ų79.91%0.0143%0.425CS..EExtended strand (participates in β ladder)trans-80.3124.4172.5-55166.8000107.8F190 V216 T235 Y243 M246 M247 L250F190-I213 HydrophobicContact CB-CG2 4.44Å; F190-I213 HydrophobicContact CD1-CD1 4.04Å; F190-I213 HydrophobicContact CD1-CG2 4.08Å; F190-I213 HydrophobicContact CE1-CD1 4.44Å; I213-V216 HydrophobicContact CG2-CG2 3.57Å; I213-T235 HydrophobicContact CB-CG2 4.3Å; I213-T235 HydrophobicContact CG2-CG2 3.91Å; I213-T235 WeakPolarHBondContact O-CB 3.41Å; I213-T235 PolarHBondContact O-OG1 3.44Å; I213-Y243 HydrophobicContact CB-CE2 3.96Å; I213-Y243 HydrophobicContact CD1-CE2 4.48Å; I213-Y243 HydrophobicContact CG1-CE2 4.48Å; I213-Y243 PolarHBondContact N-OH 2.79Å; I213-Y243 VanDerWaalsContact N-OH 3.13Å; I213-M246 HydrophobicContact CD1-CB 3.81Å; I213-M247 HydrophobicContact CD1-CG 4.27Å; I213-M247 HydrophobicContact CD1-SD 3.58Å; I213-M247 VanDerWaalsContact CD1-SD 3.58Å; I213-M247 HydrophobicContact CG1-SD 3.76Å; I213-L250 HydrophobicContact CD1-CD1 3.84Å; I213-L250 HydrophobicContact CG1-CD1 4.09Å
214R95.5Very high78.8Confident95 Ų9575.5 Ų75.536%0.35842%0.417SS..EExtended strand (participates in β ladder)trans-94.3-45.4177.1-171.5175.465.4-171.7-0.3112.2D191 T235D191-R214 PolarHBondContact O-N 2.74Å; D191-R214 IonicContact OD1-NH2 3.72Å; D191-R214 IonicContact OD2-CZ 3.18Å; D191-R214 IonicContact OD2-NE 2.96Å; D191-R214 PolarHBondContact OD2-NE 3.33Å; D191-R214 IonicContact OD2-NH2 2.65Å; D191-R214 PolarHBondContact OD2-NH2 2.86Å; R214-T235 PolarHBondContact O-N 2.89Å; R214-T235 PolarHBondContact O-OG1 3.02Å
215E95.7Very high80.6Confident66 Ų6678.8 Ų78.831%0.30842%0.421SS..EExtended strand (participates in β ladder)trans-139.9148.3-177.3-59.2-169.8152.900112F190 D191 T232 L233F190-E215 WeakPolarHBondContact CA-O 3.26Å; D191-E215 HydrophobicContact CB-CB 4.07Å; D191-E215 PolarHBondContact N-O 3.12Å; D191-E215 PolarHBondContact O-N 3.2Å; E215-T232 HydrophobicContact CB-CG2 3.65Å; E215-T232 HydrophobicContact CG-CG2 4.05Å; E215-T232 WeakPolarHBondContact OE2-CG2 3.44Å; E215-L233 CarbonylContact C-O 3.54Å; E215-L233 VanDerWaalsContact CA-O 3.28Å; E215-L233 WeakPolarHBondContact CA-O 3.38Å
216V96.3Very high82.6Confident11 Ų1174.6 Ų74.67%0.06740%0.397CS..EExtended strand (participates in β ladder)trans-132.1132.4175.4-172.60000109.9L188 V189 F190 I213 L233 T235 M246L188-V216 HydrophobicContact CD1-CG1 3.73Å; V189-V216 CarbonylContact O-C 3.2Å; V189-V216 WeakPolarHBondContact O-CA 3.34Å; F190-V216 HydrophobicContact CD1-CB 4.45Å; F190-V216 HydrophobicContact CD1-CG1 4.04Å; F190-V216 HydrophobicContact CD1-CG2 3.64Å; F190-V216 HydrophobicContact CE1-CG1 3.96Å; F190-V216 HydrophobicContact CE1-CG2 4.02Å; I213-V216 HydrophobicContact CG2-CG2 3.57Å; V216-L233 HydrophobicContact CB-CB 4.49Å; V216-L233 PolarHBondContact N-O 2.7Å; V216-L233 WeakPolarHBondContact O-CB 3.43Å; V216-L233 PolarHBondContact O-N 3.47Å; V216-T235 HydrophobicContact CG2-CG2 4.35Å; V216-M246 HydrophobicContact CG2-SD 3.97Å
217S95.1Very high84.4Confident3 Ų370.6 Ų70.62%0.02138%0.377CS..EExtended strand (participates in β ladder)trans-146.7162.317873.20000112.4V189 Q219 W226 Y231V189-S217 PolarHBondContact N-O 3.19Å; V189-S217 PolarHBondContact O-N 3.09Å; S217-Q219 PolarHBondContact OG-NE2 3.38Å; S217-Q219 VanDerWaalsContact OG-NE2 3.1Å; S217-W226 WeakPolarHBondContact OG-CH2 3.35Å; S217-W226 WeakPolarHBondContact OG-CZ2 3.49Å; S217-Y231 WeakPolarHBondContact CB-O 3.43Å
218F94.6Very high85.9Confident131 Ų13171.2 Ų71.258%0.57538%0.379SS*.EExtended strand (participates in β ladder)trans-98.6123.9166.2-74.5-80.6000109.6H186 S187 L188 S230H186-F218 HydrophobicContact CB-CD1 4.48Å; S187-F218 WeakPolarHBondContact O-CA 3.29Å; L188-F218 HydrophobicContact CB-CD1 4.46Å; L188-F218 HydrophobicContact CB-CE1 4.18Å; L188-F218 HydrophobicContact CD1-CD1 4.15Å; L188-F218 HydrophobicContact CD1-CD2 4.5Å; L188-F218 HydrophobicContact CD1-CE1 3.81Å; L188-F218 HydrophobicContact CD1-CE2 4.18Å; L188-F218 HydrophobicContact CD1-CG 4.49Å; L188-F218 HydrophobicContact CD1-CZ 3.83Å; F218-S230 WeakPolarHBondContact O-CB 3.49Å; F218-S230 PolarHBondContact O-OG 3.3Å
219Q92.2Very high86.9Confident14 Ų1473.1 Ų73.17%0.06539%0.388CS..EExtended strand (participates in β ladder)trans-111.5142.4175.6-63.1-59.7-24.300110.3H186 S187 V189 S217 W226H186-Q219 CarbonylContact C-O 3.54Å; H186-Q219 WeakPolarHBondContact CA-O 3.27Å; H186-Q219 WeakPolarHBondContact CB-O 3.26Å; S187-Q219 PolarHBondContact N-O 2.84Å; S187-Q219 PolarHBondContact O-N 3.4Å; V189-Q219 HydrophobicContact CB-CG 4.27Å; V189-Q219 HydrophobicContact CG2-CB 3.84Å; V189-Q219 HydrophobicContact CG2-CG 3.61Å; S217-Q219 PolarHBondContact OG-NE2 3.38Å; S217-Q219 VanDerWaalsContact OG-NE2 3.1Å; Q219-W226 HydrophobicContact CG-CE3 4.03Å; Q219-W226 HydrophobicContact CG-CH2 4.31Å; Q219-W226 HydrophobicContact CG-CZ3 3.87Å; Q219-W226 VanDerWaalsContact NE2-CE2 3.25Å
220P88.8Confident87.3Confident24 Ų2470.8 Ų70.816%0.15638%0.378CS..EExtended strand (participates in β ladder)trans-62.7138.2172.527.1-33.1000111.4G222 D223 K227P220-G222 PolarHBondContact O-N 3.12Å; P220-D223 HydrophobicContact CG-CB 4.17Å; P220-D223 WeakPolarHBondContact CG-OD2 3.34Å; P220-K227 HydrophobicContact CG-CD 4.19Å
221E80.1Confident87.4Confident97 Ų9776.7 Ų76.745%0.45340%0.398SS..THydrogen-bonded Turntrans-69.9129.8179.3-176-177.6172.600110.7T180 K185T180-E221 HydrophobicContact CG2-CB 4.48Å; T180-E221 HydrophobicContact CG2-CG 3.83Å; T180-E221 WeakPolarHBondContact CG2-OE2 3.22Å; K185-E221 PolarHBondContact O-N 3.42Å
222G70.3Confident87.4Confident74 Ų7478.6 Ų78.676%0.76341%0.41SS*.THydrogen-bonded Turntrans91.3-1.717300000115.9P220P220-G222 PolarHBondContact O-N 3.12Å
223D69.3Low87.3Confident105 Ų10579.6 Ų79.656%0.56141%0.412SS*.  trans-78.8129.5166.1-76.6-23.6000108.9P220 D225P220-D223 HydrophobicContact CG-CB 4.17Å; P220-D223 WeakPolarHBondContact CG-OD2 3.34Å; D223-D225 VanDerWaalsContact C-N 3.26Å
224S67.3Low87.3Confident116 Ų11682.7 Ų82.781%0.81143%0.428SS*.SBendtrans-74.6-21176.457.50000112.8
225D78.6Confident87.1Confident125 Ų12578.9 Ų78.967%0.66842%0.416SS*.SBendtrans-111.9138.7-168.4-58.8-10000109.9D223 K227D223-D225 VanDerWaalsContact C-N 3.26Å; D225-K227 PolarHBondContact O-N 2.93Å
226W80.4Confident86.8Confident121 Ų12181.8 Ų81.846%0.45843%0.433SS..  trans-60.6126.8176.8-175.6-95.6000111.2V189 S217 Q219 E228V189-W226 HydrophobicContact CB-CZ3 4.33Å; V189-W226 HydrophobicContact CG1-CH2 4.27Å; V189-W226 HydrophobicContact CG1-CZ3 3.83Å; S217-W226 WeakPolarHBondContact OG-CH2 3.35Å; S217-W226 WeakPolarHBondContact OG-CZ2 3.49Å; Q219-W226 HydrophobicContact CG-CE3 4.03Å; Q219-W226 HydrophobicContact CG-CH2 4.31Å; Q219-W226 HydrophobicContact CG-CZ3 3.87Å; Q219-W226 VanDerWaalsContact NE2-CE2 3.25Å; W226-E228 PolarHBondContact O-N 3.04Å
227K86.3Confident86.4Confident96 Ų9686.9 Ų86.942%0.41747%0.47SS..  trans-86.197.8177.8-170.2173.1-179.6177.70110.3P220 D225 T229 S230P220-K227 HydrophobicContact CG-CD 4.19Å; D225-K227 PolarHBondContact O-N 2.93Å; K227-T229 WeakPolarHBondContact CE-OG1 3.32Å; K227-T229 VanDerWaalsContact CG-OG1 3.32Å; K227-T229 WeakPolarHBondContact CG-OG1 3.35Å; K227-T229 PolarHBondContact O-N 3.47Å; K227-S230 WeakPolarHBondContact O-CB 3.18Å; K227-S230 PolarHBondContact O-N 2.78Å; K227-S230 PolarHBondContact O-OG 2.96Å
228E86.3Confident86.2Confident181 Ų18188.6 Ų88.685%0.84648%0.478SS*.THydrogen-bonded Turntrans-58.4-17.8177-63.3-178.1178.600114.5W226W226-E228 PolarHBondContact O-N 3.04Å
229T88.9Confident86.2Confident120 Ų12087 Ų8774%0.73648%0.476SS*.THydrogen-bonded Turntrans-87.7-5.3179.155.30000113.6K227K227-T229 WeakPolarHBondContact CE-OG1 3.32Å; K227-T229 VanDerWaalsContact CG-OG1 3.32Å; K227-T229 WeakPolarHBondContact CG-OG1 3.35Å; K227-T229 PolarHBondContact O-N 3.47Å
230S90.8Very high86.1Confident28 Ų2895.1 Ų95.120%0.19651%0.506CS..SBendtrans-74.7145.8171.9-65.20000110.1F218 K227 T232F218-S230 WeakPolarHBondContact O-CB 3.49Å; F218-S230 PolarHBondContact O-OG 3.3Å; K227-S230 WeakPolarHBondContact O-CB 3.18Å; K227-S230 PolarHBondContact O-N 2.78Å; K227-S230 PolarHBondContact O-OG 2.96Å; S230-T232 PolarHBondContact O-N 2.73Å
231Y93.4Very high86.4Confident180 Ų18095.4 Ų95.471%0.70651%0.51SS*.  trans-70.4128.9173.3176.2-102.6000109.8S217 L233S217-Y231 WeakPolarHBondContact CB-O 3.43Å; Y231-L233 HydrophobicContact CE1-CB 4.02Å; Y231-L233 HydrophobicContact CE1-CD1 4.41Å
232T94.3Very high87.1Confident42 Ų4294.5 Ų94.526%0.25851%0.508SS..EExtended strand (participates in β ladder)trans-112.9124.2173.9-56.80000108.9E215 S230E215-T232 HydrophobicContact CB-CG2 3.65Å; E215-T232 HydrophobicContact CG-CG2 4.05Å; E215-T232 WeakPolarHBondContact OE2-CG2 3.44Å; S230-T232 PolarHBondContact O-N 2.73Å
233L94.4Very high88.2Confident40 Ų4093.1 Ų93.121%0.20948%0.48CS..EExtended strand (participates in β ladder)trans-88.4121.9174.2178.468.1000108.5E215 V216 Y231 L238 M246E215-L233 CarbonylContact C-O 3.54Å; E215-L233 VanDerWaalsContact CA-O 3.28Å; E215-L233 WeakPolarHBondContact CA-O 3.38Å; V216-L233 HydrophobicContact CB-CB 4.49Å; V216-L233 PolarHBondContact N-O 2.7Å; V216-L233 WeakPolarHBondContact O-CB 3.43Å; V216-L233 PolarHBondContact O-N 3.47Å; Y231-L233 HydrophobicContact CE1-CB 4.02Å; Y231-L233 HydrophobicContact CE1-CD1 4.41Å; L233-L238 HydrophobicContact CD1-CD1 4.03Å; L233-L238 HydrophobicContact CD2-CD1 3.8Å; L233-L238 HydrophobicContact CD2-CD2 4.34Å; L233-L238 HydrophobicContact CG-CD1 4.22Å; L233-M246 HydrophobicContact CD2-CE 4.05Å
234N94.4Very high89.4Confident68 Ų6891.6 Ų91.636%0.36447%0.472SS..EExtended strand (participates in β ladder)trans-86.4140.6167.1168.3-72000109D236N234-D236 PolarHBondContact ND2-OD2 2.8Å; N234-D236 VanDerWaalsContact OD1-CB 3.23Å; N234-D236 WeakPolarHBondContact OD1-CB 3.43Å; N234-D236 PolarHBondContact OD1-N 2.87Å; N234-D236 PolarHBondContact OD1-OD2 2.67Å
235T92.8Very high90.8Very high15 Ų1592.1 Ų92.19%0.09246%0.461CS..SBendtrans-90.4-13.6-17252.30000114.3I213 R214 V216 S237 L238 Y243I213-T235 HydrophobicContact CB-CG2 4.3Å; I213-T235 HydrophobicContact CG2-CG2 3.91Å; I213-T235 WeakPolarHBondContact O-CB 3.41Å; I213-T235 PolarHBondContact O-OG1 3.44Å; R214-T235 PolarHBondContact O-N 2.89Å; R214-T235 PolarHBondContact O-OG1 3.02Å; V216-T235 HydrophobicContact CG2-CG2 4.35Å; T235-S237 PolarHBondContact O-N 3.04Å; T235-L238 HydrophobicContact CG2-CD2 4.43Å; T235-L238 VanDerWaalsContact O-CB 3.24Å; T235-L238 WeakPolarHBondContact O-CB 3.46Å; T235-L238 PolarHBondContact O-N 3.27Å; T235-Y243 HydrophobicContact CG2-CD2 4.35Å; T235-Y243 HydrophobicContact CG2-CE2 4.41Å
236D89.5Confident91.6Very high126 Ų12687.5 Ų87.567%0.67444%0.436SS*.THydrogen-bonded Turntrans-59.4-27.1-172-56.7-24.9000113.8N234N234-D236 PolarHBondContact ND2-OD2 2.8Å; N234-D236 VanDerWaalsContact OD1-CB 3.23Å; N234-D236 WeakPolarHBondContact OD1-CB 3.43Å; N234-D236 PolarHBondContact OD1-N 2.87Å; N234-D236 PolarHBondContact OD1-OD2 2.67Å
237S86.1Confident92.3Very high119 Ų11982.7 Ų82.783%0.83242%0.419SS*.THydrogen-bonded Turntrans-119.620.5179.1-59.70000112.6T235T235-S237 PolarHBondContact O-N 3.04Å
238L90.8Very high92.8Very high39 Ų3982.5 Ų82.520%0.20442%0.422CS..SBendtrans-74.4153.1-179.4-15965.1000111.1L233 T235 W240 L242 M246L233-L238 HydrophobicContact CD1-CD1 4.03Å; L233-L238 HydrophobicContact CD2-CD1 3.8Å; L233-L238 HydrophobicContact CD2-CD2 4.34Å; L233-L238 HydrophobicContact CG-CD1 4.22Å; T235-L238 HydrophobicContact CG2-CD2 4.43Å; T235-L238 VanDerWaalsContact O-CB 3.24Å; T235-L238 WeakPolarHBondContact O-CB 3.46Å; T235-L238 PolarHBondContact O-N 3.27Å; L238-W240 PolarHBondContact O-N 3.16Å; L238-L242 HydrophobicContact CD1-CD2 3.8Å; L238-L242 HydrophobicContact CD2-CB 4.42Å; L238-L242 HydrophobicContact CD2-CD2 4.14Å; L238-L242 HydrophobicContact CD2-CG 4.06Å; L238-L242 HydrophobicContact CG-CB 4.42Å; L238-L242 HydrophobicContact CG-CD2 4.08Å; L238-L242 HydrophobicContact CG-CG 4.35Å; L238-M246 HydrophobicContact CD2-CE 4.16Å; L238-M246 HydrophobicContact CD2-SD 4.02Å
239D94.6Very high93.3Very high98 Ų9876.1 Ų76.152%0.52439%0.392SS..  trans-63.9128.4168.1-176.977.1000109.6A241 L242 Y243D239-A241 VanDerWaalsContact C-N 3.27Å; D239-A241 PolarHBondContact O-N 2.88Å; D239-A241 WeakPolarHBondContact OD2-CB 3.29Å; D239-A241 PolarHBondContact OD2-N 3.49Å; D239-L242 HydrophobicContact CB-CB 4.45Å; D239-L242 WeakPolarHBondContact O-CB 3.44Å; D239-L242 PolarHBondContact O-N 2.88Å; D239-Y243 PolarHBondContact O-N 2.85Å; D239-Y243 VanDerWaalsContact O-N 3.13Å
240W90.6Very high93.7Very high184 Ų18470.4 Ų70.470%0.69736%0.357SS*.Hα-helixtrans-56.9-38.8-174.562.9-87.6000112.5L238 L242 Y243 D244L238-W240 PolarHBondContact O-N 3.16Å; W240-L242 VanDerWaalsContact C-N 3.29Å; W240-L242 PolarHBondContact O-N 2.84Å; W240-Y243 WeakPolarHBondContact O-CB 3.47Å; W240-Y243 PolarHBondContact O-N 3Å; W240-Y243 VanDerWaalsContact O-N 3.1Å; W240-D244 PolarHBondContact O-N 2.78Å
241A94.7Very high93.9Very high29 Ų2971.1 Ų71.124%0.2436%0.364CS..Hα-helixtrans-68.6-30.5-179.200000112.3D239 H245D239-A241 VanDerWaalsContact C-N 3.27Å; D239-A241 PolarHBondContact O-N 2.88Å; D239-A241 WeakPolarHBondContact OD2-CB 3.29Å; D239-A241 PolarHBondContact OD2-N 3.49Å; A241-H245 PolarHBondContact O-CD2 2.84Å; A241-H245 PolarHBondContact O-N 2.82Å
242L94.5Very high94Very high79 Ų7968.7 Ų68.741%0.41436%0.364SS..Hα-helixtrans-71.8-37172.7178.959.1000111.3L238 D239 W240 H245 M246L238-L242 HydrophobicContact CD1-CD2 3.8Å; L238-L242 HydrophobicContact CD2-CB 4.42Å; L238-L242 HydrophobicContact CD2-CD2 4.14Å; L238-L242 HydrophobicContact CD2-CG 4.06Å; L238-L242 HydrophobicContact CG-CB 4.42Å; L238-L242 HydrophobicContact CG-CD2 4.08Å; L238-L242 HydrophobicContact CG-CG 4.35Å; D239-L242 HydrophobicContact CB-CB 4.45Å; D239-L242 WeakPolarHBondContact O-CB 3.44Å; D239-L242 PolarHBondContact O-N 2.88Å; W240-L242 VanDerWaalsContact C-N 3.29Å; W240-L242 PolarHBondContact O-N 2.84Å; L242-H245 PolarHBondContact O-N 2.98Å; L242-M246 HydrophobicContact CD1-CE 4.04Å; L242-M246 HydrophobicContact CD2-CE 4.24Å; L242-M246 HydrophobicContact CG-CE 3.91Å; L242-M246 WeakPolarHBondContact O-CG 3.42Å; L242-M246 PolarHBondContact O-N 3.17Å; L242-M246 VanDerWaalsContact O-N 3.17Å
243Y95.2Very high94.1Very high45 Ų4568 Ų6818%0.17636%0.356CS..Hα-helixtrans-63-48.2175.1-174.9-90.4000111.4A212 I213 T235 D239 W240 H245 M246 M247A212-Y243 WeakPolarHBondContact CA-OH 3.38Å; I213-Y243 HydrophobicContact CB-CE2 3.96Å; I213-Y243 HydrophobicContact CD1-CE2 4.48Å; I213-Y243 HydrophobicContact CG1-CE2 4.48Å; I213-Y243 PolarHBondContact N-OH 2.79Å; I213-Y243 VanDerWaalsContact N-OH 3.13Å; T235-Y243 HydrophobicContact CG2-CD2 4.35Å; T235-Y243 HydrophobicContact CG2-CE2 4.41Å; D239-Y243 PolarHBondContact O-N 2.85Å; D239-Y243 VanDerWaalsContact O-N 3.13Å; W240-Y243 WeakPolarHBondContact O-CB 3.47Å; W240-Y243 PolarHBondContact O-N 3Å; W240-Y243 VanDerWaalsContact O-N 3.1Å; Y243-H245 VanDerWaalsContact C-N 3.29Å; Y243-H245 PolarHBondContact O-N 2.91Å; Y243-M246 WeakPolarHBondContact O-CA 3.35Å; Y243-M246 WeakPolarHBondContact O-CB 3.5Å; Y243-M246 PolarHBondContact O-N 3.22Å; Y243-M247 HydrophobicContact CD1-CG 4.07Å; Y243-M247 HydrophobicContact CE1-CG 3.61Å; Y243-M247 HydrophobicContact CE1-SD 4.27Å; Y243-M247 PolarHBondContact O-N 3.31Å
244D93.5Very high94.1Very high72 Ų7267 Ų6739%0.38536%0.356SS..Hα-helixtrans-55.4-45177-66.6-5.3000111.3W240 M246 M247 D248W240-D244 PolarHBondContact O-N 2.78Å; D244-M246 VanDerWaalsContact C-N 3.26Å; D244-M246 PolarHBondContact O-N 2.84Å; D244-M247 PolarHBondContact O-N 3.04Å; D244-M247 VanDerWaalsContact O-N 3.15Å; D244-D248 PolarHBondContact O-N 2.99Å
245H96.4Very high94.2Very high128 Ų12863.8 Ų63.859%0.59334%0.339SS*.Hα-helixtrans-65.5-26176.4-73.6-35000114.1A241 L242 Y243 D248 F249A241-H245 PolarHBondContact O-CD2 2.84Å; A241-H245 PolarHBondContact O-N 2.82Å; L242-H245 PolarHBondContact O-N 2.98Å; Y243-H245 VanDerWaalsContact C-N 3.29Å; Y243-H245 PolarHBondContact O-N 2.91Å; H245-D248 IonicContact ND1-OD2 3.12Å; H245-F249 VanDerWaalsContact O-CB 3.26Å; H245-F249 WeakPolarHBondContact O-CB 3.46Å; H245-F249 PolarHBondContact O-N 3.06Å; H245-F249 VanDerWaalsContact O-N 3.14Å
246M96.3Very high94.3Very high28 Ų2866.1 Ų66.114%0.13835%0.351CS..Hα-helixtrans-73.7-40.2172.1-69.9176.3178.800111.2F190 I213 V216 L233 L238 L242 Y243 D244 F249 L250F190-M246 HydrophobicContact CE1-CB 4.16Å; F190-M246 HydrophobicContact CE1-CG 4.27Å; I213-M246 HydrophobicContact CD1-CB 3.81Å; V216-M246 HydrophobicContact CG2-SD 3.97Å; L233-M246 HydrophobicContact CD2-CE 4.05Å; L238-M246 HydrophobicContact CD2-CE 4.16Å; L238-M246 HydrophobicContact CD2-SD 4.02Å; L242-M246 HydrophobicContact CD1-CE 4.04Å; L242-M246 HydrophobicContact CD2-CE 4.24Å; L242-M246 HydrophobicContact CG-CE 3.91Å; L242-M246 WeakPolarHBondContact O-CG 3.42Å; L242-M246 PolarHBondContact O-N 3.17Å; L242-M246 VanDerWaalsContact O-N 3.17Å; Y243-M246 WeakPolarHBondContact O-CA 3.35Å; Y243-M246 WeakPolarHBondContact O-CB 3.5Å; Y243-M246 PolarHBondContact O-N 3.22Å; D244-M246 VanDerWaalsContact C-N 3.26Å; D244-M246 PolarHBondContact O-N 2.84Å; M246-F249 WeakPolarHBondContact O-CB 3.42Å; M246-F249 PolarHBondContact O-N 3.02Å; M246-L250 WeakPolarHBondContact O-CG 3.45Å; M246-L250 PolarHBondContact O-N 2.89Å; M246-L250 VanDerWaalsContact O-N 3.15Å
247M95.7Very high94.5Very high20 Ų2061.2 Ų61.210%0.09932%0.324CS..Hα-helixtrans-64.3-47.6174.5-67.7-61.8-76.200111.4D209 F211 I213 Y243 D244 F249 L250 A251D209-M247 HydrophobicContact CB-CE 4Å; F211-M247 HydrophobicContact CD2-CE 4.49Å; F211-M247 HydrophobicContact CE1-CE 4.23Å; F211-M247 HydrophobicContact CE2-CE 3.94Å; F211-M247 HydrophobicContact CE2-SD 4.13Å; F211-M247 HydrophobicContact CZ-CE 3.79Å; F211-M247 HydrophobicContact CZ-SD 4.38Å; I213-M247 HydrophobicContact CD1-CG 4.27Å; I213-M247 HydrophobicContact CD1-SD 3.58Å; I213-M247 VanDerWaalsContact CD1-SD 3.58Å; I213-M247 HydrophobicContact CG1-SD 3.76Å; Y243-M247 HydrophobicContact CD1-CG 4.07Å; Y243-M247 HydrophobicContact CE1-CG 3.61Å; Y243-M247 HydrophobicContact CE1-SD 4.27Å; Y243-M247 PolarHBondContact O-N 3.31Å; D244-M247 PolarHBondContact O-N 3.04Å; D244-M247 VanDerWaalsContact O-N 3.15Å; M247-F249 PolarHBondContact O-N 2.89Å; M247-L250 WeakPolarHBondContact O-CB 3.46Å; M247-L250 PolarHBondContact O-N 3.35Å; M247-A251 PolarHBondContact O-N 3.49Å
248D96.3Very high94.9Very high91 Ų9159.2 Ų59.249%0.48731%0.307SS..Hα-helixtrans-54.4-42.3173-75.7-21.6000111.6D244 H245 L250 A251 D252D244-D248 PolarHBondContact O-N 2.99Å; H245-D248 IonicContact ND1-OD2 3.12Å; D248-L250 VanDerWaalsContact C-N 3.31Å; D248-L250 PolarHBondContact O-N 2.99Å; D248-A251 PolarHBondContact O-N 3.26Å; D248-D252 WeakPolarHBondContact O-CB 3.34Å; D248-D252 PolarHBondContact O-N 3.45Å
249F96.7Very high95.1Very high48 Ų4857.5 Ų57.521%0.21130%0.298CS..Hα-helixtrans-63.2-35.5179.1174.1-86000112.8V179 L188 F190 H245 M246 M247 R253V179-F249 HydrophobicContact CB-CE1 4.43Å; V179-F249 HydrophobicContact CG1-CE1 4.38Å; V179-F249 HydrophobicContact CG1-CZ 4.14Å; V179-F249 HydrophobicContact CG2-CE1 4.1Å; L188-F249 HydrophobicContact CD2-CE1 4.1Å; L188-F249 HydrophobicContact CD2-CZ 4.2Å; F190-F249 HydrophobicContact CE2-CD1 4.09Å; F190-F249 AromaticContact CE2-CE1 3.84Å; F190-F249 HydrophobicContact CE2-CE1 3.84Å; F190-F249 AromaticContact CZ-CD1 3.83Å; F190-F249 HydrophobicContact CZ-CD1 3.83Å; F190-F249 AromaticContact CZ-CE1 3.95Å; F190-F249 HydrophobicContact CZ-CE1 3.95Å; H245-F249 VanDerWaalsContact O-CB 3.26Å; H245-F249 WeakPolarHBondContact O-CB 3.46Å; H245-F249 PolarHBondContact O-N 3.06Å; H245-F249 VanDerWaalsContact O-N 3.14Å; M246-F249 WeakPolarHBondContact O-CB 3.42Å; M246-F249 PolarHBondContact O-N 3.02Å; M247-F249 PolarHBondContact O-N 2.89Å; F249-R253 PolarHBondContact O-NH1 3.02Å
250L96.8Very high95.1Very high0 Ų052.9 Ų52.90%027%0.273CS..Hα-helixtrans-73.8-43.4174.9-68.4-179.2000111.2I177 F190 F211 I213 M246 M247 D248 D252 R253 G254 V255I177-L250 HydrophobicContact CB-CD2 4.49Å; I177-L250 HydrophobicContact CD1-CD1 3.61Å; I177-L250 HydrophobicContact CD1-CD2 3.73Å; I177-L250 HydrophobicContact CD1-CG 4.25Å; I177-L250 HydrophobicContact CG2-CD2 4.04Å; F190-L250 HydrophobicContact CD1-CD1 4.4Å; F190-L250 HydrophobicContact CD2-CD2 3.81Å; F190-L250 HydrophobicContact CE2-CD2 3.89Å; F190-L250 HydrophobicContact CG-CD1 4.42Å; F190-L250 HydrophobicContact CG-CD2 4.17Å; F190-L250 HydrophobicContact CZ-CD2 4.32Å; F211-L250 HydrophobicContact CE2-CD1 4.15Å; F211-L250 HydrophobicContact CZ-CD1 4.48Å; I213-L250 HydrophobicContact CD1-CD1 3.84Å; I213-L250 HydrophobicContact CG1-CD1 4.09Å; M246-L250 WeakPolarHBondContact O-CG 3.45Å; M246-L250 PolarHBondContact O-N 2.89Å; M246-L250 VanDerWaalsContact O-N 3.15Å; M247-L250 WeakPolarHBondContact O-CB 3.46Å; M247-L250 PolarHBondContact O-N 3.35Å; D248-L250 VanDerWaalsContact C-N 3.31Å; D248-L250 PolarHBondContact O-N 2.99Å; L250-D252 PolarHBondContact O-N 3.47Å; L250-R253 WeakPolarHBondContact O-CA 3.37Å; L250-R253 WeakPolarHBondContact O-CB 3.49Å; L250-R253 PolarHBondContact O-N 3.14Å; L250-G254 PolarHBondContact O-N 3.31Å; L250-V255 CarbonylContact C-O 3.55Å; L250-V255 HydrophobicContact CB-CB 4.2Å; L250-V255 PolarHBondContact O-N 2.78Å
251A95.6Very high95.3Very high42 Ų4248 Ų4835%0.34726%0.261SS..Hα-helixtrans-60.1-42.8177.700000112M247 D248 R253 G254 V255 D256M247-A251 PolarHBondContact O-N 3.49Å; D248-A251 PolarHBondContact O-N 3.26Å; A251-R253 PolarHBondContact O-N 2.63Å; A251-G254 WeakPolarHBondContact O-CA 3.45Å; A251-G254 PolarHBondContact O-N 3.37Å; A251-V255 WeakPolarHBondContact CA-O 3.32Å; A251-V255 PolarHBondContact N-O 3.35Å; A251-D256 HydrophobicContact CB-CB 4.33Å
252D95.5Very high95.3Very high130 Ų13048.6 Ų48.670%0.69526%0.259SS*.THydrogen-bonded Turntrans-57.6-22.4174.4-87.1-12.2000113.5D248 L250D248-D252 WeakPolarHBondContact O-CB 3.34Å; D248-D252 PolarHBondContact O-N 3.45Å; L250-D252 PolarHBondContact O-N 3.47Å
253R95.3Very high95.3Very high26 Ų2644.8 Ų44.810%0.09824%0.239CC..THydrogen-bonded Turntrans-95.3-2.8177-74.9164.2-17970.58.3113K129 E134 I136 F249 L250 A251K129-R253 PolarHBondContact NZ-O 3.27Å; E134-R253 VanDerWaalsContact CD-NH2 3.31Å; E134-R253 IonicContact OE1-NH2 2.82Å; E134-R253 PolarHBondContact OE1-NH2 3.4Å; E134-R253 VanDerWaalsContact OE1-NH2 3.12Å; E134-R253 IonicContact OE2-CZ 2.71Å; E134-R253 IonicContact OE2-NE 3.62Å; E134-R253 PolarHBondContact OE2-NE 2.9Å; E134-R253 IonicContact OE2-NH2 3.27Å; E134-R253 PolarHBondContact OE2-NH2 2.84Å; I136-R253 HydrophobicContact CD1-CB 4.44Å; I136-R253 HydrophobicContact CD1-CG 4.33Å; I136-R253 HydrophobicContact CG1-CB 4.11Å; I136-R253 HydrophobicContact CG1-CG 4.15Å; F249-R253 PolarHBondContact O-NH1 3.02Å; L250-R253 WeakPolarHBondContact O-CA 3.37Å; L250-R253 WeakPolarHBondContact O-CB 3.49Å; L250-R253 PolarHBondContact O-N 3.14Å; A251-R253 PolarHBondContact O-N 2.63Å
254G94.1Very high95.2Very high20 Ų2043.7 Ų43.721%0.20624%0.237CC..THydrogen-bonded Turntrans80.232.3-176.900000112.8L250 A251L250-G254 PolarHBondContact O-N 3.31Å; A251-G254 WeakPolarHBondContact O-CA 3.45Å; A251-G254 PolarHBondContact O-N 3.37Å
255V96.4Very high95.2Very high1 Ų146.4 Ų46.41%0.00625%0.247CC..  trans-11185.4164.1-177.20000106.9W116 V138 F175 I177 F211 L250 A251 F259W116-V255 HydrophobicContact CH2-CG2 3.9Å; W116-V255 HydrophobicContact CZ2-CG2 3.92Å; V138-V255 HydrophobicContact CG2-CG2 4.32Å; F175-V255 HydrophobicContact CE2-CG1 4.45Å; I177-V255 HydrophobicContact CD1-CB 4.45Å; I177-V255 HydrophobicContact CD1-CG1 3.62Å; I177-V255 HydrophobicContact CG1-CG1 4.38Å; F211-V255 HydrophobicContact CZ-CG1 4.14Å; L250-V255 CarbonylContact C-O 3.55Å; L250-V255 HydrophobicContact CB-CB 4.2Å; L250-V255 PolarHBondContact O-N 2.78Å; A251-V255 WeakPolarHBondContact CA-O 3.32Å; A251-V255 PolarHBondContact N-O 3.35Å; V255-F259 HydrophobicContact CB-CD1 4.42Å; V255-F259 HydrophobicContact CG1-CD1 3.71Å; V255-F259 HydrophobicContact CG1-CE1 3.98Å; V255-F259 HydrophobicContact CG1-CG 4.38Å
256D94.9Very high95.1Very high63 Ų6340.4 Ų40.434%0.33722%0.22SC..SBendtrans-123.4-172.5-17857.418.2000110.5A251 T258 F259 A260A251-D256 HydrophobicContact CB-CB 4.33Å; D256-T258 VanDerWaalsContact C-N 3.29Å; D256-T258 PolarHBondContact O-N 2.79Å; D256-T258 WeakPolarHBondContact OD1-CB 3.33Å; D256-T258 PolarHBondContact OD1-N 3.02Å; D256-F259 WeakPolarHBondContact O-CB 3.47Å; D256-F259 PolarHBondContact O-N 2.87Å; D256-F259 VanDerWaalsContact O-N 3.16Å; D256-F259 PolarHBondContact OD1-N 2.87Å; D256-A260 PolarHBondContact O-N 2.8Å
257N93.6Very high95Very high23 Ų2339 Ų3912%0.12321%0.213CC..Hα-helixtrans-60.7-36.7178.3-71.3-28.7000112.4I210 F259 A260 D261I210-N257 HydrophobicContact CD1-CB 3.77Å; I210-N257 HydrophobicContact CG1-CB 3.96Å; I210-N257 PolarHBondContact N-OD1 3.38Å; N257-F259 VanDerWaalsContact C-N 3.34Å; N257-F259 PolarHBondContact O-N 2.77Å; N257-A260 WeakPolarHBondContact O-CB 3.4Å; N257-A260 PolarHBondContact O-N 2.98Å; N257-A260 VanDerWaalsContact O-N 3.12Å; N257-D261 PolarHBondContact O-N 2.82Å
258T94.6Very high94.9Very high77 Ų7739.7 Ų39.747%0.47222%0.218SC..Hα-helixtrans-63.4-40.7175.2-58.80000111.5D256 A260 D261 E262D256-T258 VanDerWaalsContact C-N 3.29Å; D256-T258 PolarHBondContact O-N 2.79Å; D256-T258 WeakPolarHBondContact OD1-CB 3.33Å; D256-T258 PolarHBondContact OD1-N 3.02Å; T258-A260 VanDerWaalsContact C-N 3.32Å; T258-A260 PolarHBondContact O-N 3.42Å; T258-D261 PolarHBondContact O-N 2.81Å; T258-E262 WeakPolarHBondContact O-CG 3.04Å; T258-E262 PolarHBondContact O-N 2.76Å; T258-E262 VanDerWaalsContact O-N 3.09Å
259F96Very high94.7Very high4 Ų436.3 Ų36.32%0.01820%0.203CC..Hα-helixtrans-60.9-40.9172.7172.1-88.5000112.1M112 W116 L127 V138 F175 V255 D256 N257 E262 L263M112-F259 HydrophobicContact CE-CD2 3.52Å; M112-F259 HydrophobicContact CE-CE2 3.51Å; M112-F259 HydrophobicContact CE-CG 4.25Å; M112-F259 HydrophobicContact CE-CZ 4.21Å; W116-F259 HydrophobicContact CD2-CE2 4.25Å; W116-F259 AromaticContact CE2-CD2 3.93Å; W116-F259 AromaticContact CE2-CE2 3.71Å; W116-F259 HydrophobicContact CH2-CE2 4.41Å; W116-F259 HydrophobicContact CZ2-CD2 4.04Å; W116-F259 AromaticContact CZ2-CE2 3.82Å; W116-F259 HydrophobicContact CZ2-CE2 3.82Å; W116-F259 AromaticContact NE1-CD2 3.67Å; W116-F259 AromaticContact NE1-CE2 3.82Å; L127-F259 HydrophobicContact CD1-CE2 3.96Å; L127-F259 HydrophobicContact CD1-CZ 3.96Å; V138-F259 HydrophobicContact CB-CZ 4.07Å; V138-F259 HydrophobicContact CG1-CE1 4.3Å; V138-F259 HydrophobicContact CG1-CZ 3.94Å; V138-F259 HydrophobicContact CG2-CE1 4.42Å; V138-F259 HydrophobicContact CG2-CZ 3.82Å; F175-F259 HydrophobicContact CE2-CE1 4.31Å; V255-F259 HydrophobicContact CB-CD1 4.42Å; V255-F259 HydrophobicContact CG1-CD1 3.71Å; V255-F259 HydrophobicContact CG1-CE1 3.98Å; V255-F259 HydrophobicContact CG1-CG 4.38Å; D256-F259 WeakPolarHBondContact O-CB 3.47Å; D256-F259 PolarHBondContact O-N 2.87Å; D256-F259 VanDerWaalsContact O-N 3.16Å; D256-F259 PolarHBondContact OD1-N 2.87Å; N257-F259 VanDerWaalsContact C-N 3.34Å; N257-F259 PolarHBondContact O-N 2.77Å; F259-E262 PolarHBondContact O-N 2.83Å; F259-L263 HydrophobicContact CE1-CB 4.36Å; F259-L263 HydrophobicContact CE1-CD2 4.03Å; F259-L263 VanDerWaalsContact O-CB 3.24Å; F259-L263 WeakPolarHBondContact O-CB 3.39Å; F259-L263 PolarHBondContact O-N 3.32Å
260A95.3Very high94.5Very high0 Ų034.1 Ų34.10%019%0.193CC..Hα-helixtrans-65.9-39.2-179.400000112.6F194 I210 F211 D256 N257 T258 L263 T264F194-A260 HydrophobicContact CE1-CB 4.11Å; I210-A260 HydrophobicContact CB-CB 4.09Å; I210-A260 HydrophobicContact CG2-CB 3.91Å; F211-A260 HydrophobicContact CD1-CB 3.66Å; F211-A260 HydrophobicContact CE1-CB 4.34Å; F211-A260 HydrophobicContact CG-CB 4.48Å; D256-A260 PolarHBondContact O-N 2.8Å; N257-A260 WeakPolarHBondContact O-CB 3.4Å; N257-A260 PolarHBondContact O-N 2.98Å; N257-A260 VanDerWaalsContact O-N 3.12Å; T258-A260 VanDerWaalsContact C-N 3.32Å; T258-A260 PolarHBondContact O-N 3.42Å; A260-L263 PolarHBondContact O-N 3.14Å; A260-T264 PolarHBondContact O-N 2.91Å; A260-T264 PolarHBondContact O-OG1 2.81Å
261D93.3Very high94.4Very high83 Ų8335.9 Ų35.944%0.44420%0.202SC..Hα-helixtrans-61.8-51.2172.4-76-30.2000111.4I210 N257 T258 L263 T264 E265I210-D261 VanDerWaalsContact CD1-OD1 3.23Å; I210-D261 WeakPolarHBondContact CD1-OD1 3.44Å; I210-D261 WeakPolarHBondContact CD1-OD2 3.41Å; N257-D261 PolarHBondContact O-N 2.82Å; T258-D261 PolarHBondContact O-N 2.81Å; D261-L263 VanDerWaalsContact C-N 3.25Å; D261-L263 PolarHBondContact O-N 2.85Å; D261-T264 WeakPolarHBondContact O-CB 3.41Å; D261-T264 PolarHBondContact O-N 2.87Å; D261-T264 VanDerWaalsContact O-N 3.12Å; D261-E265 PolarHBondContact O-N 3.06Å
262E94.9Very high94.2Very high40 Ų4035.8 Ų35.819%0.18719%0.194CC..Hα-helixtrans-61.5-35.2178.2-70.7-179.9174.400112.1M112 S113 T258 F259 T264 E265 L266M112-E262 WeakPolarHBondContact CA-OE2 3.2Å; M112-E262 HydrophobicContact CE-CB 3.58Å; M112-E262 HydrophobicContact SD-CB 3.76Å; S113-E262 WeakPolarHBondContact CB-OE1 3.03Å; S113-E262 PolarHBondContact N-OE1 3.4Å; S113-E262 PolarHBondContact N-OE2 3.15Å; S113-E262 VanDerWaalsContact OG-CD 3.26Å; S113-E262 PolarHBondContact OG-OE1 3.05Å; S113-E262 PolarHBondContact OG-OE2 3.26Å; S113-E262 VanDerWaalsContact OG-OE2 3.12Å; T258-E262 WeakPolarHBondContact O-CG 3.04Å; T258-E262 PolarHBondContact O-N 2.76Å; T258-E262 VanDerWaalsContact O-N 3.09Å; F259-E262 PolarHBondContact O-N 2.83Å; E262-T264 VanDerWaalsContact C-N 3.35Å; E262-E265 PolarHBondContact O-N 3.31Å; E262-L266 VanDerWaalsContact O-CB 3.27Å; E262-L266 WeakPolarHBondContact O-CB 3.29Å; E262-L266 PolarHBondContact O-N 2.91Å
263L95.6Very high94Very high0 Ų034 Ų340%018%0.18CC..Hα-helixtrans-65.2-40.7176.7-179.366.2000111M112 L127 F140 F175 F194 F259 A260 D261 L266 S267M112-L263 HydrophobicContact CE-CB 4.27Å; L127-L263 HydrophobicContact CD1-CD1 4.06Å; F140-L263 HydrophobicContact CD1-CD1 3.62Å; F140-L263 HydrophobicContact CE1-CD1 3.41Å; F140-L263 VanDerWaalsContact CE1-CD1 3.41Å; F140-L263 HydrophobicContact CE2-CD1 4.42Å; F140-L263 HydrophobicContact CG-CD1 4.21Å; F140-L263 HydrophobicContact CZ-CD1 3.83Å; F175-L263 HydrophobicContact CB-CD2 4.04Å; F175-L263 HydrophobicContact CD1-CD2 3.52Å; F175-L263 HydrophobicContact CD2-CD2 4.17Å; F175-L263 HydrophobicContact CE1-CD2 3.91Å; F175-L263 HydrophobicContact CE2-CD2 4.48Å; F175-L263 HydrophobicContact CG-CD2 3.66Å; F175-L263 HydrophobicContact CZ-CD2 4.36Å; F194-L263 HydrophobicContact CE2-CD2 4.49Å; F194-L263 HydrophobicContact CZ-CD2 4.31Å; F259-L263 HydrophobicContact CE1-CB 4.36Å; F259-L263 HydrophobicContact CE1-CD2 4.03Å; F259-L263 VanDerWaalsContact O-CB 3.24Å; F259-L263 WeakPolarHBondContact O-CB 3.39Å; F259-L263 PolarHBondContact O-N 3.32Å; A260-L263 PolarHBondContact O-N 3.14Å; D261-L263 VanDerWaalsContact C-N 3.25Å; D261-L263 PolarHBondContact O-N 2.85Å; L263-L266 PolarHBondContact O-N 2.86Å; L263-S267 VanDerWaalsContact O-CB 3.27Å; L263-S267 WeakPolarHBondContact O-CB 3.09Å; L263-S267 PolarHBondContact O-N 3.12Å
264T93.3Very high93.9Very high22 Ų2234.6 Ų34.614%0.13518%0.184CC..Hα-helixtrans-64.3-45.2177.2-59.60000110.8V170 T172 F194 A260 D261 E262 L266 S267 T268V170-T264 HydrophobicContact CG1-CG2 3.27Å; T172-T264 HydrophobicContact CG2-CG2 4.07Å; F194-T264 WeakPolarHBondContact CE1-OG1 3.43Å; F194-T264 WeakPolarHBondContact CZ-OG1 3.26Å; A260-T264 PolarHBondContact O-N 2.91Å; A260-T264 PolarHBondContact O-OG1 2.81Å; D261-T264 WeakPolarHBondContact O-CB 3.41Å; D261-T264 PolarHBondContact O-N 2.87Å; D261-T264 VanDerWaalsContact O-N 3.12Å; E262-T264 VanDerWaalsContact C-N 3.35Å; T264-L266 PolarHBondContact O-N 2.77Å; T264-S267 PolarHBondContact O-N 2.96Å; T264-T268 VanDerWaalsContact O-CB 3.3Å; T264-T268 WeakPolarHBondContact O-CB 3.39Å; T264-T268 PolarHBondContact O-N 2.98Å; T264-T268 PolarHBondContact O-OG1 2.86Å
265E92.9Very high93.9Very high129 Ų12937.3 Ų37.360%0.60319%0.188SC*.Hα-helixtrans-61.8-44174.1-69-171.4176.500112.1D261 E262 T268 A269D261-E265 PolarHBondContact O-N 3.06Å; E262-E265 PolarHBondContact O-N 3.31Å; E265-T268 PolarHBondContact O-N 2.96Å; E265-A269 WeakPolarHBondContact O-CB 3.47Å; E265-A269 PolarHBondContact O-N 2.86Å
266L94.1Very high93.7Very high1 Ų137.7 Ų37.71%0.00519%0.19CC..Hα-helixtrans-63.8-47.7178.117763.9000111.8L109 P110 M112 L118 L127 F140 E262 L263 T264 T268 A269 I270L109-L266 HydrophobicContact CB-CD1 4.16Å; P110-L266 HydrophobicContact CG-CB 4.08Å; P110-L266 HydrophobicContact CG-CD1 4.01Å; M112-L266 HydrophobicContact CG-CD2 3.95Å; M112-L266 HydrophobicContact SD-CB 4.06Å; M112-L266 HydrophobicContact SD-CD2 3.71Å; M112-L266 HydrophobicContact SD-CG 4.5Å; L118-L266 HydrophobicContact CD1-CD2 4.35Å; L118-L266 HydrophobicContact CD2-CD1 4.04Å; L118-L266 HydrophobicContact CD2-CD2 4.37Å; L127-L266 HydrophobicContact CD1-CD2 4.3Å; L127-L266 HydrophobicContact CD2-CD2 4.12Å; F140-L266 HydrophobicContact CE1-CD2 4.43Å; F140-L266 HydrophobicContact CZ-CD2 4.12Å; F140-L266 HydrophobicContact CZ-CG 4.34Å; E262-L266 VanDerWaalsContact O-CB 3.27Å; E262-L266 WeakPolarHBondContact O-CB 3.29Å; E262-L266 PolarHBondContact O-N 2.91Å; L263-L266 PolarHBondContact O-N 2.86Å; T264-L266 PolarHBondContact O-N 2.77Å; L266-T268 VanDerWaalsContact C-N 3.31Å; L266-T268 PolarHBondContact O-N 2.61Å; L266-A269 PolarHBondContact O-N 2.71Å; L266-I270 HydrophobicContact CD1-CD1 3.88Å; L266-I270 HydrophobicContact CD1-CG1 4.21Å; L266-I270 HydrophobicContact CD2-CD1 4.46Å; L266-I270 HydrophobicContact CG-CD1 3.83Å; L266-I270 HydrophobicContact CG-CG1 4.5Å; L266-I270 VanDerWaalsContact O-CG1 3.3Å; L266-I270 WeakPolarHBondContact O-CG1 3.33Å; L266-I270 PolarHBondContact O-N 3.36Å
267S94.5Very high93.7Very high0 Ų038.7 Ų38.70%019%0.192CC..Hα-helixtrans-61.1-43.7179.3-170.30000110.8S171 P173 L263 T264 A269 I270 E271S171-S267 PolarHBondContact OG-OG 2.84Å; P173-S267 VanDerWaalsContact CD-OG 3.31Å; P173-S267 WeakPolarHBondContact CD-OG 3.39Å; P173-S267 VanDerWaalsContact CG-OG 3.29Å; P173-S267 WeakPolarHBondContact CG-OG 3.49Å; L263-S267 VanDerWaalsContact O-CB 3.27Å; L263-S267 WeakPolarHBondContact O-CB 3.09Å; L263-S267 PolarHBondContact O-N 3.12Å; T264-S267 PolarHBondContact O-N 2.96Å; S267-A269 VanDerWaalsContact C-N 3.35Å; S267-A269 PolarHBondContact O-N 3.29Å; S267-I270 PolarHBondContact O-N 2.78Å; S267-I270 VanDerWaalsContact O-N 3.16Å; S267-E271 WeakPolarHBondContact O-CB 3.42Å; S267-E271 PolarHBondContact O-N 2.85Å
268T93Very high93.8Very high33 Ų3343.2 Ų43.220%0.20221%0.21CC..Hα-helixtrans-59.8-44.3176.8-59.30000111.6I169 S171 T264 E265 L266 I270 E271 H272I169-T268 WeakPolarHBondContact O-CG2 3.11Å; S171-T268 PolarHBondContact N-OG1 3.17Å; T264-T268 VanDerWaalsContact O-CB 3.3Å; T264-T268 WeakPolarHBondContact O-CB 3.39Å; T264-T268 PolarHBondContact O-N 2.98Å; T264-T268 PolarHBondContact O-OG1 2.86Å; E265-T268 PolarHBondContact O-N 2.96Å; L266-T268 VanDerWaalsContact C-N 3.31Å; L266-T268 PolarHBondContact O-N 2.61Å; T268-I270 PolarHBondContact O-N 2.85Å; T268-E271 PolarHBondContact O-N 3.15Å; T268-H272 WeakPolarHBondContact O-CB 3.46Å; T268-H272 PolarHBondContact O-N 3Å
269A92Very high93.8Very high21 Ų2140 Ų4017%0.17419%0.19CC..Hα-helixtrans-66.9-34.9176.700000113.2L109 P110 E265 L266 S267 K273L109-A269 HydrophobicContact CD2-CB 4.05Å; P110-A269 VanDerWaalsContact CD-CB 3.49Å; P110-A269 HydrophobicContact CG-CB 4.12Å; E265-A269 WeakPolarHBondContact O-CB 3.47Å; E265-A269 PolarHBondContact O-N 2.86Å; L266-A269 PolarHBondContact O-N 2.71Å; S267-A269 VanDerWaalsContact C-N 3.35Å; S267-A269 PolarHBondContact O-N 3.29Å; A269-K273 WeakPolarHBondContact O-CB 3.42Å; A269-K273 PolarHBondContact O-N 2.91Å
270I93.4Very high93.7Very high1 Ų143.2 Ų43.21%0.00521%0.205CC..Hα-helixtrans-70.6-45.1176.3-69.1170.3000110.7L109 M120 A125 F140 V142 L266 S267 T268 K273 E274L109-I270 HydrophobicContact CD1-CG1 4.15Å; L109-I270 HydrophobicContact CD2-CG1 3.78Å; M120-I270 HydrophobicContact CE-CB 4.25Å; M120-I270 HydrophobicContact CE-CD1 3.94Å; M120-I270 HydrophobicContact CE-CG1 3.79Å; M120-I270 HydrophobicContact CE-CG2 3.5Å; M120-I270 VanDerWaalsContact CE-CG2 3.5Å; M120-I270 HydrophobicContact SD-CD1 4.32Å; M120-I270 HydrophobicContact SD-CG1 4.4Å; A125-I270 HydrophobicContact CB-CD1 4.06Å; F140-I270 HydrophobicContact CE2-CD1 4.29Å; F140-I270 HydrophobicContact CZ-CD1 3.97Å; V142-I270 HydrophobicContact CB-CG2 4.49Å; V142-I270 HydrophobicContact CG1-CB 4.03Å; V142-I270 HydrophobicContact CG1-CG2 3.62Å; V142-I270 HydrophobicContact CG2-CG2 4.16Å; L266-I270 HydrophobicContact CD1-CD1 3.88Å; L266-I270 HydrophobicContact CD1-CG1 4.21Å; L266-I270 HydrophobicContact CD2-CD1 4.46Å; L266-I270 HydrophobicContact CG-CD1 3.83Å; L266-I270 HydrophobicContact CG-CG1 4.5Å; L266-I270 VanDerWaalsContact O-CG1 3.3Å; L266-I270 WeakPolarHBondContact O-CG1 3.33Å; L266-I270 PolarHBondContact O-N 3.36Å; S267-I270 PolarHBondContact O-N 2.78Å; S267-I270 VanDerWaalsContact O-N 3.16Å; T268-I270 PolarHBondContact O-N 2.85Å; I270-K273 PolarHBondContact O-N 2.96Å; I270-E274 PolarHBondContact O-N 3.29Å
271E93.5Very high93.7Very high38 Ų3848 Ų4818%0.17823%0.231CC..Hα-helixtrans-56-53.9177.4-168.7-70.2147.800109.8V142 I146 S267 T268 K273 E274 Y275V142-E271 HydrophobicContact CB-CB 4.31Å; I146-E271 HydrophobicContact CD1-CG 4.02Å; I146-E271 HydrophobicContact CG1-CG 4.46Å; S267-E271 WeakPolarHBondContact O-CB 3.42Å; S267-E271 PolarHBondContact O-N 2.85Å; T268-E271 PolarHBondContact O-N 3.15Å; E271-K273 PolarHBondContact O-N 3.29Å; E271-E274 PolarHBondContact O-N 2.92Å; E271-E274 VanDerWaalsContact O-N 3.08Å; E271-Y275 WeakPolarHBondContact O-CB 3.39Å; E271-Y275 PolarHBondContact O-N 2.59Å
272H91.8Very high93.7Very high39 Ų3946.1 Ų46.118%0.18122%0.221CC..Hα-helixtrans-60.3-37.6-177.9-172.5-136.5000112.2E100 T268 Y275 I276E100-H272 PolarHBondContact O-CE1 3.06Å; E100-H272 IonicContact OE2-CD2 2.71Å; E100-H272 IonicContact OE2-CE1 2.61Å; E100-H272 IonicContact OE2-NE2 3.78Å; E100-H272 PolarHBondContact OE2-NE2 2.65Å; T268-H272 WeakPolarHBondContact O-CB 3.46Å; T268-H272 PolarHBondContact O-N 3Å; H272-Y275 PolarHBondContact O-N 3.5Å; H272-I276 WeakPolarHBondContact O-CG1 3.37Å; H272-I276 PolarHBondContact O-N 2.87Å
273K92Very high93.6Very high94 Ų9446.5 Ų46.541%0.40922%0.222SC..Hα-helixtrans-66.7-44.8176.7-178.4-173.2172.8-166.60112.4L109 A269 I270 E271 Y275 K277L109-K273 HydrophobicContact CD2-CD 4.42Å; A269-K273 WeakPolarHBondContact O-CB 3.42Å; A269-K273 PolarHBondContact O-N 2.91Å; I270-K273 PolarHBondContact O-N 2.96Å; E271-K273 PolarHBondContact O-N 3.29Å; K273-Y275 VanDerWaalsContact C-N 3.32Å; K273-K277 PolarHBondContact O-N 3.49Å
274E93.3Very high93.4Very high37 Ų3750.3 Ų50.317%0.17325%0.249CC..Hα-helixtrans-70.8-30.1177-71.2-62.7136.900111.4I270 E271 K277 F278I270-E274 PolarHBondContact O-N 3.29Å; E271-E274 PolarHBondContact O-N 2.92Å; E271-E274 VanDerWaalsContact O-N 3.08Å; E274-K277 PolarHBondContact O-N 3.47Å; E274-K277 IonicContact OE1-NZ 2.71Å; E274-K277 PolarHBondContact OE1-NZ 3.13Å; E274-K277 IonicContact OE2-NZ 3.72Å; E274-K277 PolarHBondContact OE2-NZ 2.93Å; E274-F278 WeakPolarHBondContact O-CB 3.04Å; E274-F278 PolarHBondContact O-N 3.31Å
275Y93.1Very high93.3Very high78 Ų7857 Ų5731%0.30628%0.277SS..Hα-helixtrans-62.1-49.6171.8178.4-113.3000112.1E100 E271 H272 K273 K277 F278 L279E100-Y275 HydrophobicContact CG-CE1 4.13Å; E271-Y275 WeakPolarHBondContact O-CB 3.39Å; E271-Y275 PolarHBondContact O-N 2.59Å; H272-Y275 PolarHBondContact O-N 3.5Å; K273-Y275 VanDerWaalsContact C-N 3.32Å; Y275-K277 VanDerWaalsContact C-N 3.28Å; Y275-K277 PolarHBondContact O-N 2.76Å; Y275-F278 WeakPolarHBondContact O-CB 3.28Å; Y275-F278 PolarHBondContact O-N 3.1Å; Y275-F278 VanDerWaalsContact O-N 3.13Å; Y275-L279 HydrophobicContact CD1-CD1 4.24Å; Y275-L279 HydrophobicContact CE1-CD1 3.64Å; Y275-L279 HydrophobicContact CE1-CG 4.24Å; Y275-L279 HydrophobicContact CE2-CD1 4.49Å; Y275-L279 HydrophobicContact CE2-CD2 4.22Å; Y275-L279 HydrophobicContact CE2-CG 4.26Å; Y275-L279 WeakPolarHBondContact O-CG 3.48Å; Y275-L279 PolarHBondContact O-N 2.91Å
276I92.9Very high93.1Very high9 Ų951.5 Ų51.55%0.04625%0.252CS..Hα-helixtrans-57-45.1175.7-70.3167.3000110.8E100 K101 Q104 H272 F278 L279 E280E100-I276 HydrophobicContact CB-CD1 4.21Å; E100-I276 HydrophobicContact CB-CG1 3.83Å; K101-I276 HydrophobicContact CD-CG2 4.48Å; K101-I276 HydrophobicContact CG-CD1 4.29Å; K101-I276 HydrophobicContact CG-CG2 3.97Å; Q104-I276 HydrophobicContact CB-CD1 4.26Å; Q104-I276 HydrophobicContact CG-CD1 4.42Å; H272-I276 WeakPolarHBondContact O-CG1 3.37Å; H272-I276 PolarHBondContact O-N 2.87Å; I276-F278 VanDerWaalsContact C-N 3.35Å; I276-L279 WeakPolarHBondContact O-CB 3.35Å; I276-L279 PolarHBondContact O-N 3.18Å; I276-E280 WeakPolarHBondContact O-CG 3.45Å; I276-E280 PolarHBondContact O-N 3Å
277K93.8Very high92.6Very high84 Ų8454.1 Ų54.137%0.36527%0.266SS..Hα-helixtrans-64.8-38.8178.5-179.6-178.6159.9-1510112K273 E274 Y275 L279 E280 D281K273-K277 PolarHBondContact O-N 3.49Å; E274-K277 PolarHBondContact O-N 3.47Å; E274-K277 IonicContact OE1-NZ 2.71Å; E274-K277 PolarHBondContact OE1-NZ 3.13Å; E274-K277 IonicContact OE2-NZ 3.72Å; E274-K277 PolarHBondContact OE2-NZ 2.93Å; Y275-K277 VanDerWaalsContact C-N 3.28Å; Y275-K277 PolarHBondContact O-N 2.76Å; K277-L279 VanDerWaalsContact C-N 3.34Å; K277-L279 PolarHBondContact O-N 2.87Å; K277-E280 WeakPolarHBondContact O-CB 3.44Å; K277-E280 PolarHBondContact O-N 3.13Å; K277-D281 PolarHBondContact O-N 3.34Å
278F95.6Very high91.4Very high118 Ų11856.5 Ų56.552%0.51828%0.282SS..Hα-helixtrans-59.8-43.9172.2169.2-99.7000111.4E274 Y275 I276 E280 D281 L282E274-F278 WeakPolarHBondContact O-CB 3.04Å; E274-F278 PolarHBondContact O-N 3.31Å; Y275-F278 WeakPolarHBondContact O-CB 3.28Å; Y275-F278 PolarHBondContact O-N 3.1Å; Y275-F278 VanDerWaalsContact O-N 3.13Å; I276-F278 VanDerWaalsContact C-N 3.35Å; F278-E280 VanDerWaalsContact C-N 3.34Å; F278-E280 PolarHBondContact O-N 3.1Å; F278-D281 PolarHBondContact O-N 3.04Å; F278-L282 HydrophobicContact CE1-CD2 4.02Å; F278-L282 HydrophobicContact CZ-CD2 4.17Å; F278-L282 WeakPolarHBondContact O-CB 3.49Å; F278-L282 PolarHBondContact O-N 2.84Å
279L95.4Very high89.8Confident9 Ų966.1 Ų66.15%0.04732%0.321CS..Hα-helixtrans-62.6-39.4175.4-65.6-179.9000112.1L93 E96 I97 E100 Y275 I276 K277 L282 Q283L93-L279 HydrophobicContact CD2-CD2 3.97Å; E96-L279 HydrophobicContact CG-CD1 4.05Å; I97-L279 HydrophobicContact CD1-CB 4.02Å; I97-L279 HydrophobicContact CG1-CB 3.55Å; I97-L279 HydrophobicContact CG1-CD1 4.22Å; E100-L279 HydrophobicContact CG-CD1 4.27Å; Y275-L279 HydrophobicContact CD1-CD1 4.24Å; Y275-L279 HydrophobicContact CE1-CD1 3.64Å; Y275-L279 HydrophobicContact CE1-CG 4.24Å; Y275-L279 HydrophobicContact CE2-CD1 4.49Å; Y275-L279 HydrophobicContact CE2-CD2 4.22Å; Y275-L279 HydrophobicContact CE2-CG 4.26Å; Y275-L279 WeakPolarHBondContact O-CG 3.48Å; Y275-L279 PolarHBondContact O-N 2.91Å; I276-L279 WeakPolarHBondContact O-CB 3.35Å; I276-L279 PolarHBondContact O-N 3.18Å; K277-L279 VanDerWaalsContact C-N 3.34Å; K277-L279 PolarHBondContact O-N 2.87Å; L279-L282 PolarHBondContact O-N 2.81Å; L279-Q283 VanDerWaalsContact O-CB 3.25Å; L279-Q283 WeakPolarHBondContact O-CB 3.06Å; L279-Q283 PolarHBondContact O-N 3.14Å
280E94.2Very high89.7Confident72 Ų7268.4 Ų68.434%0.33633%0.328SS..Hα-helixtrans-63.2-45.9174.9-69.9-179.6148.800112.4I97 K101 I276 K277 F278 L282 Q283 S284I97-E280 HydrophobicContact CD1-CG 4.18Å; I97-E280 HydrophobicContact CG2-CG 4.2Å; K101-E280 VanDerWaalsContact CE-OE1 3.24Å; K101-E280 WeakPolarHBondContact CE-OE1 3.46Å; K101-E280 IonicContact NZ-OE1 3.81Å; K101-E280 PolarHBondContact NZ-OE1 3.06Å; I276-E280 WeakPolarHBondContact O-CG 3.45Å; I276-E280 PolarHBondContact O-N 3Å; K277-E280 WeakPolarHBondContact O-CB 3.44Å; K277-E280 PolarHBondContact O-N 3.13Å; F278-E280 VanDerWaalsContact C-N 3.34Å; F278-E280 PolarHBondContact O-N 3.1Å; E280-L282 VanDerWaalsContact C-N 3.35Å; E280-Q283 PolarHBondContact O-N 3Å; E280-S284 WeakPolarHBondContact O-CB 3.32Å; E280-S284 PolarHBondContact O-N 3.38Å
281D94.8Very high89.5Confident101 Ų10171.9 Ų71.954%0.5435%0.345SS..Hα-helixtrans-65.1-40.5177.4-75.1-23000111K277 F278 S284 F285K277-D281 PolarHBondContact O-N 3.34Å; F278-D281 PolarHBondContact O-N 3.04Å; D281-S284 WeakPolarHBondContact O-CB 3.36Å; D281-S284 PolarHBondContact O-N 3.25Å; D281-F285 WeakPolarHBondContact O-CB 3.24Å; D281-F285 PolarHBondContact O-N 2.97Å
282L94.6Very high89.2Confident43 Ų4373.8 Ų73.823%0.22535%0.354CS..Hα-helixtrans-64.1-43.3175.1-177.560.1000111.5F89 L93 F278 L279 E280 S284 F285 V286F89-L282 HydrophobicContact CZ-CD2 3.9Å; F89-L282 HydrophobicContact CZ-CG 4.27Å; L93-L282 HydrophobicContact CD1-CD2 4.34Å; L93-L282 HydrophobicContact CD1-CG 4Å; L93-L282 HydrophobicContact CD2-CD2 4.06Å; F278-L282 HydrophobicContact CE1-CD2 4.02Å; F278-L282 HydrophobicContact CZ-CD2 4.17Å; F278-L282 WeakPolarHBondContact O-CB 3.49Å; F278-L282 PolarHBondContact O-N 2.84Å; L279-L282 PolarHBondContact O-N 2.81Å; E280-L282 VanDerWaalsContact C-N 3.35Å; L282-S284 VanDerWaalsContact C-N 3.35Å; L282-S284 PolarHBondContact O-N 3.41Å; L282-F285 WeakPolarHBondContact O-CB 3.48Å; L282-F285 PolarHBondContact O-N 3.04Å; L282-V286 HydrophobicContact CD1-CG2 4.36Å; L282-V286 VanDerWaalsContact O-CG2 3.28Å; L282-V286 WeakPolarHBondContact O-CG2 3.23Å; L282-V286 PolarHBondContact O-N 3.2Å
283Q92.6Very high89.1Confident47 Ų4775.8 Ų75.822%0.2237%0.365CS..Hα-helixtrans-61.7-44.1174.8-179.5-169.858.800111.1L93 S94 I97 L279 E280 F285 V286 N287L93-Q283 HydrophobicContact CB-CB 4.16Å; L93-Q283 HydrophobicContact CB-CG 4.37Å; L93-Q283 HydrophobicContact CD1-CB 4.15Å; S94-Q283 VanDerWaalsContact CA-NE2 3.35Å; S94-Q283 PolarHBondContact OG-NE2 2.87Å; I97-Q283 HydrophobicContact CD1-CB 4.04Å; L279-Q283 VanDerWaalsContact O-CB 3.25Å; L279-Q283 WeakPolarHBondContact O-CB 3.06Å; L279-Q283 PolarHBondContact O-N 3.14Å; E280-Q283 PolarHBondContact O-N 3Å; Q283-F285 VanDerWaalsContact C-N 3.32Å; Q283-V286 PolarHBondContact O-N 3.49Å; Q283-N287 VanDerWaalsContact CG-ND2 3.29Å; Q283-N287 WeakPolarHBondContact CG-ND2 3.48Å; Q283-N287 VanDerWaalsContact O-CB 3.24Å; Q283-N287 WeakPolarHBondContact O-CB 3.1Å; Q283-N287 PolarHBondContact O-N 3.26Å; Q283-N287 PolarHBondContact O-ND2 3.29Å
284S91Very high88.9Confident81 Ų8174.7 Ų74.757%0.56636%0.362SS*.Hα-helixtrans-60.3-43.4175.7179.80000111.3E280 D281 L282 C288E280-S284 WeakPolarHBondContact O-CB 3.32Å; E280-S284 PolarHBondContact O-N 3.38Å; D281-S284 WeakPolarHBondContact O-CB 3.36Å; D281-S284 PolarHBondContact O-N 3.25Å; L282-S284 VanDerWaalsContact C-N 3.35Å; L282-S284 PolarHBondContact O-N 3.41Å; S284-C288 PolarHBondContact O-N 3.48Å
285F91.1Very high88.6Confident163 Ų16377.2 Ų77.272%0.71538%0.375SS*.Hα-helixtrans-62.2-48.1177.2179.5-97.5000112.4D281 L282 Q283 C288D281-F285 WeakPolarHBondContact O-CB 3.24Å; D281-F285 PolarHBondContact O-N 2.97Å; L282-F285 WeakPolarHBondContact O-CB 3.48Å; L282-F285 PolarHBondContact O-N 3.04Å; Q283-F285 VanDerWaalsContact C-N 3.32Å; F285-C288 PolarHBondContact O-N 3.21Å
286V88.9Confident88.3Confident13 Ų1377.1 Ų77.18%0.07938%0.379CS..Hα-helixtrans-67.7-41-179.6172.80000111.7H82 D86 F89 L93 L282 Q283 C288H82-V286 PolarHBondContact CE1-O 2.94Å; H82-V286 VanDerWaalsContact CE1-O 3.24Å; D86-V286 HydrophobicContact CB-CG1 4.04Å; D86-V286 WeakPolarHBondContact O-CG1 3.38Å; F89-V286 HydrophobicContact CB-CG1 4.4Å; F89-V286 HydrophobicContact CD1-CB 4.43Å; F89-V286 HydrophobicContact CD1-CG1 4.01Å; F89-V286 HydrophobicContact CD1-CG2 3.57Å; F89-V286 HydrophobicContact CE1-CG2 3.61Å; F89-V286 HydrophobicContact CG-CG1 4.5Å; L93-V286 HydrophobicContact CD1-CG2 4.37Å; L282-V286 HydrophobicContact CD1-CG2 4.36Å; L282-V286 VanDerWaalsContact O-CG2 3.28Å; L282-V286 WeakPolarHBondContact O-CG2 3.23Å; L282-V286 PolarHBondContact O-N 3.2Å; Q283-V286 PolarHBondContact O-N 3.49Å; V286-C288 VanDerWaalsContact C-N 3.32Å; V286-C288 PolarHBondContact O-N 3.43Å
287N83.6Confident87.9Confident56 Ų5682.4 Ų82.430%0.29941%0.405SS..Hα-helixtrans-78.6-16.7-177.9-75.4-38.9000113.8H82 Q283 K289H82-N287 PolarHBondContact CE1-O 3.16Å; Q283-N287 VanDerWaalsContact CG-ND2 3.29Å; Q283-N287 WeakPolarHBondContact CG-ND2 3.48Å; Q283-N287 VanDerWaalsContact O-CB 3.24Å; Q283-N287 WeakPolarHBondContact O-CB 3.1Å; Q283-N287 PolarHBondContact O-N 3.26Å; Q283-N287 PolarHBondContact O-ND2 3.29Å; N287-K289 PolarHBondContact O-N 3Å; N287-K289 VanDerWaalsContact O-N 3.11Å
288C69.7Low87.5Confident50 Ų5082.3 Ų82.334%0.33841%0.408SS..  trans26.969.9173-147.60000113.1C76 C78 S284 F285 V286C76-C288 PolarHBondContact SG-O 2.88Å; C78-C288 HydrophobicContact CB-CB 4.36Å; C78-C288 VanDerWaalsContact CB-SG 3.59Å; C78-C288 PolarHBondContact SG-O 3.01Å; S284-C288 PolarHBondContact O-N 3.48Å; F285-C288 PolarHBondContact O-N 3.21Å; V286-C288 VanDerWaalsContact C-N 3.32Å; V286-C288 PolarHBondContact O-N 3.43Å
289K58.1Low86.7Confident234 Ų23479 Ų79100%1.01740%0.398SS*.  trans-78.60-179.4-74.6-174.8179.61720112.5N287N287-K289 PolarHBondContact O-N 3Å; N287-K289 VanDerWaalsContact O-N 3.11Å

Retrieved 289 of 289 residues in 181.2 ms (Link to these results)