A0A087YA35_POEFO Loading...

GRAM domain containing 2A

AlphaFold DB , UniProt , Accession A0A087YA35, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 362 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M40.5Very low35.7Very low254 Ų254142.8 Ų142.8100%1.25185%0.849SS**  0116.60-67.5171.5178.100107.3
2G33.1Very low35.4Very low73 Ų73138.3 Ų138.375%0.75384%0.84SS**  trans-150.5133178.500000108.9
3C35.2Very low35.4Very low135 Ų135140.1 Ų140.191%0.91284%0.84SS**  trans-104.3109.1-175.1-68.30000111.3
4T34.8Very low35.8Very low122 Ų122139.3 Ų139.375%0.74884%0.84SS**  trans-59.3168.6139.827.60000110
5I36.3Very low35.7Very low121 Ų121136.1 Ų136.162%0.62183%0.834SS**  cis-147.7177.54.111-163.7000106.2
6Y32.4Very low35.4Very low209 Ų209137.9 Ų137.982%0.8284%0.837SS**  cis-144.9177.226.3-88.6-78.8000111.5
7A33.8Very low35.2Very low100 Ų100140.8 Ų140.883%0.82684%0.84SS**  trans-120.5152.8156.800000109.4
8A34.2Very low35Very low107 Ų107139.1 Ų139.188%0.88484%0.843SS**  trans-129.8134.3176.100000111.2
9S37.1Very low34.7Very low114 Ų114145.2 Ų145.280%0.79785%0.849SS**  trans-134.1135.6-180170.90000109.1
10P43Very low34.4Very low124 Ų124141.6 Ų141.681%0.80585%0.845SS**  trans-91.4143.2165.7-8.627.9000112.4
11K32.3Very low34.1Very low212 Ų212142.9 Ų142.992%0.92284%0.842SS**  trans-78.5169.8177.7-70.6174.3174.2175.70112.6
12A31.9Very low33.3Very low89 Ų89137.2 Ų137.274%0.73682%0.817SS**  trans-108171.9-177.500000114.2
13L36.3Very low33.1Very low161 Ų161145.1 Ų145.184%0.84382%0.824SS**  trans78.7152.5164.6-66.1177.8000117.2
14P40.2Very low32.7Very low129 Ų129147.8 Ų147.884%0.83882%0.816SS**  cis-118-178.320.341.2-28.2000117.1
15A34.4Very low32.4Very low92 Ų92153.1 Ų153.176%0.7682%0.824SS**  trans-99.2160.2-179.100000112.5
16D30.5Very low31.9Very low165 Ų165155 Ų15588%0.88283%0.831SS**  trans-148.8153.2161.9-155.4-5.3000110.4
17E32.7Very low31.7Very low187 Ų187152.3 Ų152.387%0.87483%0.829SS**  trans-92.7137.7-175.1-71.8-175.384.900112.8
18A30.9Very low31.5Very low109 Ų109152.8 Ų152.890%0.90182%0.824SS**  trans-154.8140154.800000112.8
19R29.3Very low31.2Very low255 Ų255156.3 Ų156.396%0.96282%0.822SS**  trans-109.4127.5-177175.1-173.8-178.4-174.92109.2
20G28.5Very low30.6Very low74 Ų74161.5 Ų161.576%0.76383%0.826SS**  trans-171.9128.7178.600000116.3
21Q28Very low29.8Very low168 Ų168160.5 Ų160.579%0.78582%0.822SS**  trans-47.4151.5-177.3-109.688.9-16.700120
22D25.3Very low29.5Very low135 Ų135158.8 Ų158.872%0.72282%0.816SS**  trans36.6120.5135.9-60.1-38.5000121.6
23R28.5Very low29.6Very low239 Ų239160 Ų16090%0.90282%0.817SS**  -173.3132.5106.6-99.3165.9-169-166.64.1114.5
24Y27.4Very low29.3Very low192 Ų192162 Ų16275%0.75381%0.814SS**  trans-9.4127.9157.7-66.5-96.4000119.3
25Y27.6Very low29Very low233 Ų233158.8 Ų158.891%0.91481%0.805SS**  -142.1121.3124.6-88.6-72.8000110.5
26Q26.3Very low29Very low162 Ų162159 Ų15976%0.75779%0.794SS**PPolyproline II helixtrans-82.6119.6-178.3-158.8104.3-11.900109.8
27L28.2Very low29.3Very low151 Ų151154.3 Ų154.379%0.79177%0.773SS**PPolyproline II helixtrans-88.6143.4166.4-96.984.3000110.8
28P30.1Very low29.6Very low110 Ų110150 Ų15071%0.71476%0.763SS**PPolyproline II helixtrans-75.8136.2-169.329.2-34.8000113.1Y30P28-Y30 PolarHBondContact O-N 3.15Å
29H26.5Very low30Very low181 Ų181150.8 Ų150.884%0.83875%0.748SS**PPolyproline II helixtrans-62.9117.2164.8-77.8-109.9000110
30Y24.9Very low30.4Very low224 Ų224145.8 Ų145.888%0.87873%0.729SS**  trans-90.5103.6163.7-128.7-91.6000109.1P28 H32P28-Y30 PolarHBondContact O-N 3.15Å; Y30-H32 PolarHBondContact O-N 3.44Å
31S25.5Very low31Very low103 Ų103145.4 Ų145.472%0.7271%0.709SS**  trans-71.6120.1177.832.20000110.7P33S31-P33 VanDerWaalsContact O-CD 3.31Å; S31-P33 WeakPolarHBondContact O-CD 3.4Å
32H27.7Very low31.5Very low175 Ų175140.1 Ų140.181%0.8169%0.694SS**  trans-72120.7171.3-99.5-75.7000111Y30 Y34Y30-H32 PolarHBondContact O-N 3.44Å; H32-Y34 PolarHBondContact O-N 3.03Å
33P33.1Very low32.1Very low115 Ų115136.5 Ų136.575%0.74768%0.683SS**  trans-89.777.7170.435.7-30.5000109.8S31S31-P33 VanDerWaalsContact O-CD 3.31Å; S31-P33 WeakPolarHBondContact O-CD 3.4Å
34Y30.6Very low32.5Very low202 Ų202129.4 Ų129.479%0.79267%0.669SS**  trans-131.169.7167-90.2-81.7000110.6H32H32-Y34 PolarHBondContact O-N 3.03Å
35G32.7Very low33Very low62 Ų62128.6 Ų128.664%0.63967%0.665SS**  trans-67.5164.5166.500000112.6
36N35.2Very low33.4Very low98 Ų98120.1 Ų120.152%0.52464%0.643SS.*  trans76.920.6158.6-60.13.3000120Q39N36-Q39 PolarHBondContact ND2-OE1 3.3Å; N36-Q39 VanDerWaalsContact OD1-CD 3.24Å; N36-Q39 PolarHBondContact OD1-OE1 2.83Å
37C36.3Very low33.9Very low65 Ų65122.6 Ų122.644%0.43965%0.645SS.*SBendtrans-74.8-50.3152.4-166.20000111.1Q39 R40C37-Q39 PolarHBondContact O-N 2.88Å; C37-R40 PolarHBondContact O-N 3.16Å
38S39.6Very low34.3Very low96 Ų96117.7 Ų117.767%0.67163%0.627SS**Hα-helixtrans-64.7-36-175.9-53.70000114.3R40 I41 A42S38-R40 PolarHBondContact O-N 3.22Å; S38-I41 PolarHBondContact O-N 3.44Å; S38-A42 WeakPolarHBondContact O-CB 3.4Å; S38-A42 PolarHBondContact O-N 2.96Å
39Q38.3Very low34.8Very low126 Ų126120.1 Ų120.159%0.58962%0.622SS**Hα-helixtrans-66.4-35.8-177.6-74.3-175.1-6.300112.9N36 C37 A42 A43N36-Q39 PolarHBondContact ND2-OE1 3.3Å; N36-Q39 VanDerWaalsContact OD1-CD 3.24Å; N36-Q39 PolarHBondContact OD1-OE1 2.83Å; C37-Q39 PolarHBondContact O-N 2.88Å; Q39-A42 PolarHBondContact O-N 3.21Å; Q39-A43 WeakPolarHBondContact O-CB 3.2Å; Q39-A43 PolarHBondContact O-N 2.61Å
40R37.6Very low35.2Very low151 Ų151115.7 Ų115.757%0.5761%0.611SS**Hα-helixtrans-70.7-36177.9-63.1-172.668.3-177.7-1.4112C37 S38 C44C37-R40 PolarHBondContact O-N 3.16Å; S38-R40 PolarHBondContact O-N 3.22Å; R40-C44 PolarHBondContact O-N 3.01Å; R40-C44 PolarHBondContact O-SG 2.91Å; R40-C44 VanDerWaalsContact O-SG 3.42Å
41I41.3Very low35.6Very low66 Ų66113 Ų11334%0.33861%0.608SS.*Hα-helixtrans-67.5-44.7173.9-60.3168.1000110.1S38 C44 R45 W147S38-I41 PolarHBondContact O-N 3.44Å; I41-C44 PolarHBondContact O-N 3.23Å; I41-R45 WeakPolarHBondContact O-CB 3.48Å; I41-R45 PolarHBondContact O-N 3.3Å; I41-R45 VanDerWaalsContact O-N 3.07Å; I41-W147 HydrophobicContact CD1-CH2 3.89Å; I41-W147 HydrophobicContact CG1-CH2 4.42Å
42A39.7Very low36.2Very low57 Ų57113.4 Ų113.447%0.47161%0.607SS.*Hα-helixtrans-61.3-42.7175.800000112.1S38 Q39 R45 A46S38-A42 WeakPolarHBondContact O-CB 3.4Å; S38-A42 PolarHBondContact O-N 2.96Å; Q39-A42 PolarHBondContact O-N 3.21Å; A42-R45 CarbonylContact O-C 3.47Å; A42-R45 PolarHBondContact O-N 3.03Å; A42-A46 VanDerWaalsContact O-CB 3.3Å; A42-A46 WeakPolarHBondContact O-CB 3.49Å; A42-A46 PolarHBondContact O-N 3.09Å
43A37.2Very low36.4Very low59 Ų59112.5 Ų112.549%0.48860%0.603SS.*Hα-helixtrans-62.4-43.3177.900000112.8Q39 R45 A46 R47Q39-A43 WeakPolarHBondContact O-CB 3.2Å; Q39-A43 PolarHBondContact O-N 2.61Å; A43-R45 VanDerWaalsContact C-N 3.3Å; A43-R45 PolarHBondContact O-N 3.29Å; A43-A46 PolarHBondContact O-N 2.98Å; A43-R47 WeakPolarHBondContact O-CB 3.26Å; A43-R47 PolarHBondContact O-N 2.7Å
44C37.2Very low36.3Very low90 Ų90116.2 Ų116.261%0.60861%0.61SS**Hα-helixtrans-63.7-35.8173.8-68.40000112.4R40 I41 A48R40-C44 PolarHBondContact O-N 3.01Å; R40-C44 PolarHBondContact O-SG 2.91Å; R40-C44 VanDerWaalsContact O-SG 3.42Å; I41-C44 PolarHBondContact O-N 3.23Å; C44-A48 PolarHBondContact O-N 2.94Å
45R37.3Very low36.4Very low174 Ų174115.3 Ų115.366%0.65761%0.613SS**Hα-helixtrans-75.7-34.6178.3-147.3176.7-152.8166.45.8112.8I41 A42 A43 A48 R49I41-R45 WeakPolarHBondContact O-CB 3.48Å; I41-R45 PolarHBondContact O-N 3.3Å; I41-R45 VanDerWaalsContact O-N 3.07Å; A42-R45 CarbonylContact O-C 3.47Å; A42-R45 PolarHBondContact O-N 3.03Å; A43-R45 VanDerWaalsContact C-N 3.3Å; A43-R45 PolarHBondContact O-N 3.29Å; R45-A48 PolarHBondContact O-N 2.86Å; R45-R49 PolarHBondContact O-N 3.02Å
46A36.3Very low36.2Very low56 Ų56121.7 Ų121.746%0.46363%0.626SS.*Hα-helixtrans-70.9-41.9176.100000111.6A42 A43 A48 R49 S50A42-A46 VanDerWaalsContact O-CB 3.3Å; A42-A46 WeakPolarHBondContact O-CB 3.49Å; A42-A46 PolarHBondContact O-N 3.09Å; A43-A46 PolarHBondContact O-N 2.98Å; A46-A48 PolarHBondContact O-N 2.89Å; A46-R49 PolarHBondContact O-N 3.44Å; A46-S50 PolarHBondContact O-N 3.27Å
47R36Very low35.8Very low213 Ų213126.9 Ų126.980%0.80465%0.647SS**Hα-helixtrans-63.5-22.1174.3-163175.2-168.5177.55.6113.3A43A43-R47 WeakPolarHBondContact O-CB 3.26Å; A43-R47 PolarHBondContact O-N 2.7Å
48A38.4Very low35.3Very low48 Ų48126.9 Ų126.940%0.39766%0.658SS.*Hα-helixtrans-83.2-23.2171.300000113.6C44 R45 A46 F83C44-A48 PolarHBondContact O-N 2.94Å; R45-A48 PolarHBondContact O-N 2.86Å; A46-A48 PolarHBondContact O-N 2.89Å; A48-F83 HydrophobicContact CB-CZ 4.39Å
49R40.5Very low34.8Very low162 Ų162131.3 Ų131.361%0.61167%0.669SS**Hα-helixtrans-88.2-37.6179.3-75.8-178.9174-174.4-6.2113.5R45 A46 M51 T52R45-R49 PolarHBondContact O-N 3.02Å; A46-R49 PolarHBondContact O-N 3.44Å; R49-M51 PolarHBondContact O-N 3.44Å; R49-T52 PolarHBondContact O-N 2.92Å; R49-T52 PolarHBondContact O-OG1 3.48Å
50S34.2Very low34.4Very low88 Ų88130.7 Ų130.762%0.61567%0.673SS**THydrogen-bonded Turntrans-70.33-178.483.10000114.9A46A46-S50 PolarHBondContact O-N 3.27Å
51M32.1Very low33.8Very low166 Ų166130.1 Ų130.182%0.81869%0.686SS**THydrogen-bonded Turntrans-100.84.4171.2-70-72.1-65.900112.3R49R49-M51 PolarHBondContact O-N 3.44Å
52T39.2Very low33Very low112 Ų112130.2 Ų130.269%0.68770%0.704SS**SBendtrans-127.41.9-175.615.70000114.6R49R49-T52 PolarHBondContact O-N 2.92Å; R49-T52 PolarHBondContact O-OG1 3.48Å
53E32.4Very low32.3Very low156 Ų156135.5 Ų135.573%0.72972%0.723SS**SBendtrans-126.951.9-174.2-66.9-179.8122.600112.5
54Q31.1Very low31.6Very low193 Ų193140.5 Ų140.590%0.90274%0.741SS**SBendtrans-134.313.5173.3-105.3-166-19.400116.3
55Q32.6Very low31Very low183 Ų183141.5 Ų141.586%0.85575%0.749SS**SBendtrans-145.393.1172.3-165.3159.9-9.400111.2
56E28.5Very low30.9Very low196 Ų196139.1 Ų139.192%0.91675%0.754SS**  trans172.3119.4130.3-93.9-177.1140.600111.1
57Q25.8Very low30.5Very low207 Ų207144.9 Ų144.997%0.96777%0.771SS**  trans-157.9127168.1-133.8170.820.700110.7
58G27.2Very low30.2Very low65 Ų65141.4 Ų141.467%0.6777%0.769SS**  trans124.3100.6-17700000111.4
59E28.6Very low29.9Very low190 Ų190147.1 Ų147.189%0.88879%0.792SS**  67.6134.589.4-76.1-156.210700114.2
60V28.3Very low29.6Very low113 Ų113146.3 Ų146.369%0.68580%0.799SS**  cis-164.5148-2.6105.80000110.9
61T26Very low29.6Very low138 Ų138147.6 Ų147.685%0.84781%0.806SS**  trans50.7127.4156-51.20000123.1
62G23.6Very low29.6Very low69 Ų69144.5 Ų144.571%0.71180%0.8SS**  trans149.9102.8144.600000120.8
63L25.2Very low29.2Very low167 Ų167147.5 Ų147.587%0.87480%0.804SS**  trans39.9122.5146.9-72.7164.9000124.2
64L23.9Very low29.2Very low165 Ų165146.5 Ų146.586%0.86480%0.804SS**  trans45.1111.5131.9-129.2100.6000121.7
65S23.6Very low29.3Very low111 Ų111144.5 Ų144.578%0.77680%0.799SS**  172.4146.5119.4-171.90000112.2
66T34.3Very low29.1Very low124 Ų124142.2 Ų142.276%0.76179%0.793SS**  trans-75.9136.7165.545.30000111.9
67H28.7Very low29.4Very low177 Ų177137.4 Ų137.482%0.81978%0.777SS**  trans-165.6137.4138.5-130.3-83.8000112
68D30.7Very low30.2Very low140 Ų140136.7 Ų136.775%0.74977%0.773SS**  trans-65.9143.9165.7-54.6-99.9000111.2
69L30.8Very low30.5Very low168 Ų168136.7 Ų136.788%0.8877%0.773SS**  177.6152.9128.9-92.5162.5000111.9
70D34.4Very low30.7Very low145 Ų145134.1 Ų134.178%0.77576%0.761SS**  trans-69.5146.9-174.8-17726.9000114.1
71P34.6Very low30.8Very low115 Ų115136.1 Ų136.175%0.74776%0.761SS**  trans-132.7131.614636.2-23.3000114.7
72S32.8Very low31.2Very low101 Ų101140 Ų14071%0.70676%0.76SS**  trans-70.9134.7163.452.20000112.6
73K30.4Very low31.4Very low175 Ų175144.7 Ų144.776%0.76176%0.761SS**  162.8137.7118.5-93.3-170.6163.6-166.10114.7
74D31.9Very low31.6Very low135 Ų135142.2 Ų142.272%0.72275%0.745SS**  trans46.4125.6136-49.5-33.1000122.3
75D32.6Very low32.3Very low151 Ų151137.6 Ų137.681%0.80772%0.721SS**  trans113.1156.9140.1-136-1.6000120.2
76D29.2Very low33.2Very low135 Ų135136.4 Ų136.472%0.72271%0.705SS**  trans72.247.3170.7-71.7-44.2000120.3H78D76-H78 VanDerWaalsContact C-N 3.32Å; D76-H78 PolarHBondContact O-N 3.36Å; D76-H78 VanDerWaalsContact O-N 3.15Å
77T34.3Very low33.6Very low94 Ų94138.2 Ų138.258%0.57770%0.704SS**  trans-86.659.6164.6-50.10000113.6F81T77-F81 HydrophobicContact CG2-CD2 4.32Å; T77-F81 HydrophobicContact CG2-CE2 3.99Å
78H43.4Very low34.3Very low192 Ų192135.5 Ų135.589%0.88970%0.696SS**SBendtrans-115.330.1173.9-90.4-72.9000114.8D76D76-H78 VanDerWaalsContact C-N 3.32Å; D76-H78 PolarHBondContact O-N 3.36Å; D76-H78 VanDerWaalsContact O-N 3.15Å
79G33.8Very low35Very low66 Ų66130.8 Ų130.868%0.6867%0.671SS**SBendtrans-135.9-26.4173.300000116.5
80H31.9Very low35.9Very low136 Ų136125.4 Ų125.463%0.6365%0.647SS**G310 helixtrans-86.3-15.3-162.2-135.364.9000115.8R82H80-R82 PolarHBondContact O-N 3.25Å
81F30.2Very low36.7Very low154 Ų154126.3 Ų126.368%0.67564%0.641SS**G310 helixtrans-67.1-6.7-170.1-92.5-79.6000116.9T77T77-F81 HydrophobicContact CG2-CD2 4.32Å; T77-F81 HydrophobicContact CG2-CE2 3.99Å
82R34.4Very low37.4Very low221 Ų221125.9 Ų125.983%0.83463%0.629SS**G310 helixtrans-100.4-12.5-167.6-153.9172.7174.4124.12.8115.6H80H80-R82 PolarHBondContact O-N 3.25Å
83F28.4Very low38.5Very low166 Ų166124.1 Ų124.173%0.72861%0.611SS**THydrogen-bonded Turntrans-107.2-23.1-178.9-79.6-79000115.1A48A48-F83 HydrophobicContact CB-CZ 4.39Å
84Q28.3Very low39.7Very low116 Ų116115.9 Ų115.954%0.54258%0.576SS.*G310 helixtrans-80.2-26.9-179-91.2164.9-26.800115.1I86 E87Q84-I86 PolarHBondContact O-N 3.28Å; Q84-E87 PolarHBondContact O-N 2.95Å
85L38.8Very low40.7Very low67 Ų67114 Ų11435%0.35156%0.561SS.*G310 helixtrans-71.511.6-175-66174.7000115.8D88 T214 V218L85-D88 WeakPolarHBondContact CD2-OD2 3.37Å; L85-T214 PolarHBondContact O-OG1 3.13Å; L85-V218 HydrophobicContact CD1-CG2 4.34Å
86I43.3Very low41.8Very low87 Ų87114.7 Ų114.745%0.44656%0.557SS.*G310 helixtrans-96.1-21.7169.8-63.2177.2000110.9Q84Q84-I86 PolarHBondContact O-N 3.28Å
87E43.3Very low43Very low161 Ų161108.6 Ų108.675%0.75253%0.525SS*.THydrogen-bonded Turntrans-86.2-17.5-179.7-70.6-172.3114.800114.2Q84 L89Q84-E87 PolarHBondContact O-N 2.95Å; E87-L89 PolarHBondContact O-N 2.99Å
88D42.6Very low44Very low121 Ų121106.8 Ų106.865%0.64751%0.508SS*.THydrogen-bonded Turntrans-70.25.3179.7-70.1-33.5000115.1L85 S90L85-D88 WeakPolarHBondContact CD2-OD2 3.37Å; D88-S90 PolarHBondContact O-N 2.94Å; D88-S90 VanDerWaalsContact O-N 3.09Å
89L45.5Very low44.3Very low40 Ų40108.4 Ų108.421%0.20951%0.506CS..SBendtrans-77.290.6162.8-90.7163.6000109.5E87 Y91 V94 R211 T214E87-L89 PolarHBondContact O-N 2.99Å; L89-Y91 PolarHBondContact O-N 3.36Å; L89-V94 HydrophobicContact CB-CG2 4.22Å; L89-R211 HydrophobicContact CD2-CG 3.62Å; L89-T214 HydrophobicContact CD1-CG2 3.87Å; L89-T214 HydrophobicContact CG-CG2 3.84Å
90S50.8Low45.4Very low55 Ų55106.2 Ų106.239%0.38548%0.484SS..  trans-40.7129.2-178.394.90000111.4D88 E92 D93 V94D88-S90 PolarHBondContact O-N 2.94Å; D88-S90 VanDerWaalsContact O-N 3.09Å; S90-E92 PolarHBondContact O-N 3Å; S90-D93 PolarHBondContact O-N 3.35Å; S90-D93 PolarHBondContact OG-N 3.5Å; S90-D93 PolarHBondContact OG-OD2 2.96Å; S90-V94 PolarHBondContact O-N 2.84Å
91Y49.2Very low46.3Very low164 Ų164104.8 Ų104.864%0.64349%0.489SS*.Hα-helixtrans-52.1-35.4-174.9179.7-93.4000111.9L89 V94 K95L89-Y91 PolarHBondContact O-N 3.36Å; Y91-V94 PolarHBondContact O-N 3.46Å; Y91-K95 HydrophobicContact CD1-CD 4.31Å; Y91-K95 HydrophobicContact CE1-CD 4.02Å; Y91-K95 VanDerWaalsContact O-CB 3.24Å; Y91-K95 WeakPolarHBondContact O-CB 3.42Å; Y91-K95 PolarHBondContact O-N 2.97Å
92E49.8Very low47.6Very low107 Ų107101.8 Ų101.850%0.548%0.484SS..Hα-helixtrans-69.4-35.9176.6-67.9-57.912400114.1S90 K95 K96S90-E92 PolarHBondContact O-N 3Å; E92-K95 VanDerWaalsContact CD-NZ 3.32Å; E92-K95 PolarHBondContact O-N 3.4Å; E92-K95 WeakPolarHBondContact OE1-CD 3.34Å; E92-K95 IonicContact OE1-NZ 2.61Å; E92-K95 PolarHBondContact OE1-NZ 2.97Å; E92-K95 WeakPolarHBondContact OE2-CD 3.24Å; E92-K95 IonicContact OE2-NZ 3.21Å; E92-K95 PolarHBondContact OE2-NZ 3.37Å; E92-K96 WeakPolarHBondContact O-CB 3.37Å; E92-K96 PolarHBondContact O-N 3.49Å
93D55.7Low49.2Very low63 Ų6391.6 Ų91.634%0.33745%0.446SS..Hα-helixtrans-65-40.2174.3-80.6-59.3000111.8S90 K96 C97S90-D93 PolarHBondContact O-N 3.35Å; S90-D93 PolarHBondContact OG-N 3.5Å; S90-D93 PolarHBondContact OG-OD2 2.96Å; D93-K96 PolarHBondContact O-N 3.33Å; D93-C97 PolarHBondContact O-N 3.41Å
94V56.9Low51Low3 Ų388.2 Ų88.22%0.01844%0.443CS..Hα-helixtrans-68.7-41.7175.4-156.20000110.6L89 S90 Y91 K96 C97 Y98 M124 R145L89-V94 HydrophobicContact CB-CG2 4.22Å; S90-V94 PolarHBondContact O-N 2.84Å; Y91-V94 PolarHBondContact O-N 3.46Å; V94-K96 VanDerWaalsContact C-N 3.29Å; V94-K96 PolarHBondContact O-N 3.44Å; V94-C97 CarbonylContact O-C 3.58Å; V94-C97 WeakPolarHBondContact O-CA 3.29Å; V94-C97 VanDerWaalsContact O-CB 3.29Å; V94-C97 WeakPolarHBondContact O-CB 3.39Å; V94-C97 PolarHBondContact O-N 3.04Å; V94-Y98 HydrophobicContact CB-CD2 4.44Å; V94-Y98 HydrophobicContact CB-CE2 4.04Å; V94-Y98 HydrophobicContact CG1-CD2 3.97Å; V94-Y98 HydrophobicContact CG1-CE2 3.3Å; V94-Y98 WeakPolarHBondContact O-CD2 3.18Å; V94-Y98 PolarHBondContact O-N 2.86Å; V94-M124 HydrophobicContact CG1-CE 3.55Å; V94-M124 HydrophobicContact CG1-CG 4.47Å; V94-M124 HydrophobicContact CG1-SD 3.95Å; V94-R145 HydrophobicContact CG1-CG 4.19Å
95K53.2Low52.9Low94 Ų9490.8 Ų90.841%0.40945%0.452SS..Hα-helixtrans-59.7-35.8174.2-165.4-177.1-178.2-1680112.7Y91 E92 C97 Y98 R99Y91-K95 HydrophobicContact CD1-CD 4.31Å; Y91-K95 HydrophobicContact CE1-CD 4.02Å; Y91-K95 VanDerWaalsContact O-CB 3.24Å; Y91-K95 WeakPolarHBondContact O-CB 3.42Å; Y91-K95 PolarHBondContact O-N 2.97Å; E92-K95 VanDerWaalsContact CD-NZ 3.32Å; E92-K95 PolarHBondContact O-N 3.4Å; E92-K95 WeakPolarHBondContact OE1-CD 3.34Å; E92-K95 IonicContact OE1-NZ 2.61Å; E92-K95 PolarHBondContact OE1-NZ 2.97Å; E92-K95 WeakPolarHBondContact OE2-CD 3.24Å; E92-K95 IonicContact OE2-NZ 3.21Å; E92-K95 PolarHBondContact OE2-NZ 3.37Å; K95-C97 VanDerWaalsContact C-N 3.32Å; K95-C97 PolarHBondContact O-N 3.03Å; K95-Y98 PolarHBondContact O-N 3.27Å; K95-R99 PolarHBondContact O-N 2.7Å
96K55.8Low54.8Low166 Ų16691.4 Ų91.472%0.72245%0.451SS*.Hα-helixtrans-66.9-31172.3-156.8171-171.6173.40112.2E92 D93 V94E92-K96 WeakPolarHBondContact O-CB 3.37Å; E92-K96 PolarHBondContact O-N 3.49Å; D93-K96 PolarHBondContact O-N 3.33Å; V94-K96 VanDerWaalsContact C-N 3.29Å; V94-K96 PolarHBondContact O-N 3.44Å
97C53.5Low56.7Low8 Ų888.7 Ų88.75%0.05444%0.437CS..Hα-helixtrans-73-41.5169.5-69.20000112.6D93 V94 K95 R99 M124 K125D93-C97 PolarHBondContact O-N 3.41Å; V94-C97 CarbonylContact O-C 3.58Å; V94-C97 WeakPolarHBondContact O-CA 3.29Å; V94-C97 VanDerWaalsContact O-CB 3.29Å; V94-C97 WeakPolarHBondContact O-CB 3.39Å; V94-C97 PolarHBondContact O-N 3.04Å; K95-C97 VanDerWaalsContact C-N 3.32Å; K95-C97 PolarHBondContact O-N 3.03Å; C97-R99 VanDerWaalsContact C-N 3.32Å; C97-R99 PolarHBondContact O-N 3.4Å; C97-M124 HydrophobicContact CB-CB 4.49Å; C97-M124 HydrophobicContact CB-CE 3.55Å; C97-K125 WeakPolarHBondContact O-CE 3.22Å; C97-K125 PolarHBondContact O-NZ 3.21Å
98Y55.5Low58.6Low56 Ų5684.9 Ų84.922%0.2243%0.428CS..Hα-helixtrans-66.1-24.8177.4-68.8-52.3000114.5V94 K95 G100 I122 L123 M124 R145V94-Y98 HydrophobicContact CB-CD2 4.44Å; V94-Y98 HydrophobicContact CB-CE2 4.04Å; V94-Y98 HydrophobicContact CG1-CD2 3.97Å; V94-Y98 HydrophobicContact CG1-CE2 3.3Å; V94-Y98 WeakPolarHBondContact O-CD2 3.18Å; V94-Y98 PolarHBondContact O-N 2.86Å; K95-Y98 PolarHBondContact O-N 3.27Å; Y98-G100 PolarHBondContact O-N 3.32Å; Y98-I122 HydrophobicContact CD1-CG2 4.04Å; Y98-I122 HydrophobicContact CE1-CB 3.7Å; Y98-I122 HydrophobicContact CE1-CG2 3.54Å; Y98-L123 WeakPolarHBondContact CE1-O 3.41Å; Y98-M124 HydrophobicContact CD1-CG 4.4Å; Y98-M124 HydrophobicContact CE1-CG 3.72Å; Y98-R145 PolarHBondContact OH-NH1 3.43Å
99R49.4Very low60.7Low225 Ų22583 Ų8385%0.84942%0.416SS*.THydrogen-bonded Turntrans-57.7-0.4-179.9-107.2-84.3-155.6-164.42.4116.4K95 C97 S101K95-R99 PolarHBondContact O-N 2.7Å; C97-R99 VanDerWaalsContact C-N 3.32Å; C97-R99 PolarHBondContact O-N 3.4Å; R99-S101 PolarHBondContact O-N 3.43Å
100G56.7Low62.6Low21 Ų2181.1 Ų81.122%0.21641%0.406CS..  trans-79.4111172.600000111.8Y98 T102 V103Y98-G100 PolarHBondContact O-N 3.32Å; G100-T102 PolarHBondContact O-N 3.12Å; G100-V103 WeakPolarHBondContact O-CB 3.14Å; G100-V103 WeakPolarHBondContact O-CG2 3.48Å; G100-V103 PolarHBondContact O-N 3.22Å
101S51.3Low64.4Low105 Ų10580.4 Ų80.473%0.73440%0.396SS*.Hα-helixtrans-54.7-20.7-177.6-175.80000115.2R99R99-S101 PolarHBondContact O-N 3.43Å
102T57.5Low66.2Low91 Ų9181 Ų8156%0.55840%0.402SS*.Hα-helixtrans-76.3-26.8175.350.10000114G100 K105 Y106G100-T102 PolarHBondContact O-N 3.12Å; T102-K105 PolarHBondContact O-N 3.22Å; T102-Y106 WeakPolarHBondContact O-CD2 3.26Å; T102-Y106 PolarHBondContact O-N 3.42Å
103V67.6Low68Low8 Ų876.8 Ų76.85%0.04838%0.383CS..Hα-helixtrans-69.5-44-166.6-176.20000112G100 K105 Y106 N107 L123 M124G100-V103 WeakPolarHBondContact O-CB 3.14Å; G100-V103 WeakPolarHBondContact O-CG2 3.48Å; G100-V103 PolarHBondContact O-N 3.22Å; V103-K105 VanDerWaalsContact C-N 3.31Å; V103-K105 PolarHBondContact O-N 3.44Å; V103-Y106 PolarHBondContact O-N 2.77Å; V103-Y106 VanDerWaalsContact O-N 3.08Å; V103-N107 PolarHBondContact O-N 3.03Å; V103-L123 HydrophobicContact CG1-CB 4.2Å; V103-L123 HydrophobicContact CG1-CD2 4.28Å; V103-L123 HydrophobicContact CG1-CG 3.99Å; V103-L123 WeakPolarHBondContact CG1-O 3.49Å; V103-M124 WeakPolarHBondContact CG2-O 3.44Å
104S66.4Low69.5Low95 Ų9573.9 Ų73.966%0.66437%0.367SS*.Hα-helixtrans-56.6-41.8176.6171.80000112.4Y106 N107S104-Y106 VanDerWaalsContact C-N 3.33Å; S104-Y106 PolarHBondContact O-N 3.41Å; S104-N107 WeakPolarHBondContact O-CB 3.43Å; S104-N107 PolarHBondContact O-N 3.49Å
105K68.5Low70.7Confident169 Ų16979.2 Ų79.274%0.73540%0.402SS*.Hα-helixtrans-64.5-35.5177-64.8-175.3178.7-178.10112.7T102 V103T102-K105 PolarHBondContact O-N 3.22Å; V103-K105 VanDerWaalsContact C-N 3.31Å; V103-K105 PolarHBondContact O-N 3.44Å
106Y77.8Confident71.9Confident81 Ų8177 Ų7732%0.31840%0.398SS..Hα-helixtrans-80.6-17.2177.4-72.2-61000113.9T102 V103 S104 S108 Q109 Y110 V126T102-Y106 WeakPolarHBondContact O-CD2 3.26Å; T102-Y106 PolarHBondContact O-N 3.42Å; V103-Y106 PolarHBondContact O-N 2.77Å; V103-Y106 VanDerWaalsContact O-N 3.08Å; S104-Y106 VanDerWaalsContact C-N 3.33Å; S104-Y106 PolarHBondContact O-N 3.41Å; Y106-S108 PolarHBondContact O-N 3.01Å; Y106-Q109 PolarHBondContact O-N 3.28Å; Y106-Q109 VanDerWaalsContact O-N 3.08Å; Y106-Y110 WeakPolarHBondContact O-CB 3.44Å; Y106-Y110 PolarHBondContact O-N 2.9Å; Y106-V126 HydrophobicContact CD2-CG2 4.49Å
107N84.5Confident73.3Confident29 Ų2969.5 Ų69.516%0.15537%0.366CS..Hα-helixtrans-60.2-44.1-178.9-160.366.2000112.2V103 S104 Q109 Y110 H111 L123V103-N107 PolarHBondContact O-N 3.03Å; S104-N107 WeakPolarHBondContact O-CB 3.43Å; S104-N107 PolarHBondContact O-N 3.49Å; N107-Q109 VanDerWaalsContact C-N 3.27Å; N107-Q109 PolarHBondContact O-N 2.99Å; N107-Y110 WeakPolarHBondContact O-CB 3.47Å; N107-Y110 PolarHBondContact O-N 2.98Å; N107-Y110 VanDerWaalsContact O-N 3.17Å; N107-H111 PolarHBondContact ND2-CD2 3.19Å; N107-H111 PolarHBondContact ND2-NE2 2.84Å; N107-H111 PolarHBondContact O-CD2 2.83Å; N107-H111 PolarHBondContact O-N 2.99Å; N107-H111 VanDerWaalsContact O-N 3.16Å; N107-L123 HydrophobicContact CB-CB 4.44Å; N107-L123 WeakPolarHBondContact OD1-CB 3.35Å; N107-L123 PolarHBondContact OD1-N 3.2Å
108S83.2Confident74.7Confident82 Ų8271.9 Ų71.957%0.57338%0.381SS*.Hα-helixtrans-64.6-28.9175.7-53.80000113.4Y106 K112Y106-S108 PolarHBondContact O-N 3.01Å; S108-K112 VanDerWaalsContact O-CG 3.29Å; S108-K112 WeakPolarHBondContact O-CG 3.32Å
109Q85.3Confident75.9Confident82 Ų8277.9 Ų77.938%0.38341%0.409SS..Hα-helixtrans-76.6-38.4173.4-172.7178.511.400111.1Y106 N107 K112 L113Y106-Q109 PolarHBondContact O-N 3.28Å; Y106-Q109 VanDerWaalsContact O-N 3.08Å; N107-Q109 VanDerWaalsContact C-N 3.27Å; N107-Q109 PolarHBondContact O-N 2.99Å; Q109-K112 WeakPolarHBondContact O-CB 3.3Å; Q109-K112 PolarHBondContact O-N 2.72Å; Q109-L113 HydrophobicContact CG-CD1 4.12Å; Q109-L113 HydrophobicContact CG-CG 4.37Å; Q109-L113 WeakPolarHBondContact O-CG 3.38Å; Q109-L113 PolarHBondContact O-N 3.29Å
110Y87.1Confident77.4Confident0 Ų074 Ų740%041%0.405CS..Hα-helixtrans-57.8-51.9178.1171-108.7000112Y106 N107 K112 L113 F114 V117 L123 Y142 S144 C149Y106-Y110 WeakPolarHBondContact O-CB 3.44Å; Y106-Y110 PolarHBondContact O-N 2.9Å; N107-Y110 WeakPolarHBondContact O-CB 3.47Å; N107-Y110 PolarHBondContact O-N 2.98Å; N107-Y110 VanDerWaalsContact O-N 3.17Å; Y110-K112 VanDerWaalsContact C-N 3.28Å; Y110-K112 PolarHBondContact O-N 2.89Å; Y110-L113 PolarHBondContact O-N 2.86Å; Y110-L113 VanDerWaalsContact O-N 3.11Å; Y110-F114 AromaticContact CD2-CD2 3.75Å; Y110-F114 HydrophobicContact CD2-CD2 3.75Å; Y110-F114 HydrophobicContact CD2-CE2 4.23Å; Y110-F114 AromaticContact CE2-CD2 3.87Å; Y110-F114 HydrophobicContact CE2-CD2 3.87Å; Y110-F114 HydrophobicContact CE2-CE2 4.4Å; Y110-F114 PolarHBondContact O-N 3.15Å; Y110-V117 HydrophobicContact CE1-CB 4.42Å; Y110-V117 HydrophobicContact CE1-CG1 3.88Å; Y110-L123 HydrophobicContact CD1-CB 4.37Å; Y110-L123 HydrophobicContact CD2-CD1 4.22Å; Y110-L123 HydrophobicContact CE2-CD1 4.49Å; Y110-L123 HydrophobicContact CG-CD1 4.35Å; Y110-Y142 AromaticContact CD2-CD1 3.86Å; Y110-Y142 HydrophobicContact CD2-CD1 3.86Å; Y110-Y142 AromaticContact CD2-CG 3.82Å; Y110-Y142 HydrophobicContact CD2-CG 3.82Å; Y110-Y142 HydrophobicContact CE2-CG 4.33Å; Y110-S144 WeakPolarHBondContact CE1-OG 3.47Å; Y110-S144 PolarHBondContact OH-OG 2.99Å; Y110-C149 HydrophobicContact CE2-CB 3.82Å; Y110-C149 PolarHBondContact OH-SG 3.49Å; Y110-C149 VanDerWaalsContact OH-SG 3.34Å
111H87.1Confident78.7Confident40 Ų4074.1 Ų74.119%0.18540%0.4CS..Hα-helixtrans-67-25.3176.9-61.1-70.8000113.8N107 P118 E121N107-H111 PolarHBondContact ND2-CD2 3.19Å; N107-H111 PolarHBondContact ND2-NE2 2.84Å; N107-H111 PolarHBondContact O-CD2 2.83Å; N107-H111 PolarHBondContact O-N 2.99Å; N107-H111 VanDerWaalsContact O-N 3.16Å; H111-P118 PolarHBondContact CE1-O 3.4Å; H111-E121 PolarHBondContact CE1-O 2.83Å; H111-E121 PolarHBondContact NE2-O 2.83Å
112K87.3Confident80.3Confident177 Ų17772.9 Ų72.977%0.7738%0.384SS*.Hα-helixtrans-71.3-36.9170.9-75.3176.7-179.5-1720112.3S108 Q109 Y110S108-K112 VanDerWaalsContact O-CG 3.29Å; S108-K112 WeakPolarHBondContact O-CG 3.32Å; Q109-K112 WeakPolarHBondContact O-CB 3.3Å; Q109-K112 PolarHBondContact O-N 2.72Å; Y110-K112 VanDerWaalsContact C-N 3.28Å; Y110-K112 PolarHBondContact O-N 2.89Å
113L87.1Confident81.7Confident17 Ų1768.6 Ų68.69%0.08936%0.357CS..Hα-helixtrans-74-40.3177.6-70.6173.2000111.7Q109 Y110 P115 Y142 Y151 K160Q109-L113 HydrophobicContact CG-CD1 4.12Å; Q109-L113 HydrophobicContact CG-CG 4.37Å; Q109-L113 WeakPolarHBondContact O-CG 3.38Å; Q109-L113 PolarHBondContact O-N 3.29Å; Y110-L113 PolarHBondContact O-N 2.86Å; Y110-L113 VanDerWaalsContact O-N 3.11Å; L113-P115 WeakPolarHBondContact O-CD 3.26Å; L113-Y142 HydrophobicContact CD1-CE2 4.36Å; L113-Y151 HydrophobicContact CD1-CD1 4.03Å; L113-Y151 HydrophobicContact CD1-CE1 4.47Å; L113-Y151 HydrophobicContact CD1-CG 4.06Å; L113-Y151 HydrophobicContact CD2-CD1 4.45Å; L113-Y151 HydrophobicContact CD2-CD2 4.05Å; L113-Y151 HydrophobicContact CD2-CE1 4.26Å; L113-Y151 HydrophobicContact CD2-CE2 3.85Å; L113-Y151 HydrophobicContact CD2-CG 4.34Å; L113-K160 VanDerWaalsContact O-CD 3.3Å; L113-K160 WeakPolarHBondContact O-CD 3.33Å; L113-K160 VanDerWaalsContact O-CE 3.25Å; L113-K160 WeakPolarHBondContact O-CE 3.4Å; L113-K160 PolarHBondContact O-NZ 2.9Å; L113-K160 VanDerWaalsContact O-NZ 3.13Å
114F87.1Confident82.6Confident3 Ų368.5 Ų68.51%0.01336%0.356CS..  trans-120.779.6-173-59.2-79.9000112.2Y110 C116 V117 Y142 C149 K160Y110-F114 AromaticContact CD2-CD2 3.75Å; Y110-F114 HydrophobicContact CD2-CD2 3.75Å; Y110-F114 HydrophobicContact CD2-CE2 4.23Å; Y110-F114 AromaticContact CE2-CD2 3.87Å; Y110-F114 HydrophobicContact CE2-CD2 3.87Å; Y110-F114 HydrophobicContact CE2-CE2 4.4Å; Y110-F114 PolarHBondContact O-N 3.15Å; F114-C116 PolarHBondContact O-N 3.32Å; F114-C116 VanDerWaalsContact O-N 3.17Å; F114-V117 HydrophobicContact CB-CB 4.49Å; F114-V117 HydrophobicContact CB-CG2 3.94Å; F114-V117 PolarHBondContact O-N 3.46Å; F114-Y142 HydrophobicContact CE2-CD2 4.06Å; F114-Y142 HydrophobicContact CE2-CE2 4.49Å; F114-C149 HydrophobicContact CD1-CB 3.97Å; F114-C149 HydrophobicContact CD2-CB 3.89Å; F114-C149 HydrophobicContact CE1-CB 3.73Å; F114-C149 HydrophobicContact CE2-CB 3.65Å; F114-C149 HydrophobicContact CG-CB 4.04Å; F114-C149 HydrophobicContact CZ-CB 3.56Å; F114-K160 HydrophobicContact CD1-CB 4.4Å; F114-K160 HydrophobicContact CE1-CB 3.83Å; F114-K160 HydrophobicContact CE1-CG 4.03Å; F114-K160 HydrophobicContact CZ-CG 4.49Å
115P82.8Confident83.5Confident115 Ų11566.5 Ų66.575%0.74734%0.336SS*.THydrogen-bonded Turntrans-67.6-12.1177.429.3-36.6000113.6L113 V117L113-P115 WeakPolarHBondContact O-CD 3.26Å; P115-V117 VanDerWaalsContact C-N 3.31Å
116C78.8Confident84.5Confident48 Ų4860.4 Ų60.432%0.32431%0.313SS..THydrogen-bonded Turntrans-76.7-13.3174.254.10000114F114F114-C116 PolarHBondContact O-N 3.32Å; F114-C116 VanDerWaalsContact O-N 3.17Å
117V85.1Confident85.1Confident7 Ų758.2 Ų58.24%0.04230%0.304CS..SBendtrans-93.4129177.9-179.70000109Y110 F114 P115 E121 W147Y110-V117 HydrophobicContact CE1-CB 4.42Å; Y110-V117 HydrophobicContact CE1-CG1 3.88Å; F114-V117 HydrophobicContact CB-CB 4.49Å; F114-V117 HydrophobicContact CB-CG2 3.94Å; F114-V117 PolarHBondContact O-N 3.46Å; P115-V117 VanDerWaalsContact C-N 3.31Å; V117-E121 HydrophobicContact CG1-CB 3.63Å; V117-E121 HydrophobicContact CG1-CG 4.01Å; V117-W147 HydrophobicContact CG1-CG 4.25Å; V117-W147 HydrophobicContact CG2-CD2 4.28Å; V117-W147 HydrophobicContact CG2-CG 4.26Å
118P83.9Confident85.3Confident59 Ų5960 Ų6038%0.38332%0.319SS..  trans-60.4151.2179.523.7-32.3000112H111 D120 E121H111-P118 PolarHBondContact CE1-O 3.4Å; P118-D120 PolarHBondContact O-N 3.2Å; P118-E121 HydrophobicContact CG-CG 3.81Å; P118-E121 WeakPolarHBondContact O-CB 3.35Å; P118-E121 PolarHBondContact O-N 3.03Å
119K79Confident85.7Confident182 Ų18256.4 Ų56.479%0.79129%0.294SS*.THydrogen-bonded Turntrans-67.3-17.6-175.4-64.4178.8-176.8174.10113.4E121K119-E121 VanDerWaalsContact C-N 3.33Å
120D80.5Confident86Confident144 Ų14453 Ų5377%0.7728%0.279SS*.THydrogen-bonded Turntrans-80-15.9180-40.3-59.8000112.4P118 I122P118-D120 PolarHBondContact O-N 3.2Å; D120-I122 PolarHBondContact O-N 3.21Å
121E84.9Confident86.2Confident23 Ų2353 Ų5311%0.10728%0.279CS..  trans-78.699.2175.8-78-76.615700111.3H111 V117 P118 K119 R145 N146H111-E121 PolarHBondContact CE1-O 2.83Å; H111-E121 PolarHBondContact NE2-O 2.83Å; V117-E121 HydrophobicContact CG1-CB 3.63Å; V117-E121 HydrophobicContact CG1-CG 4.01Å; P118-E121 HydrophobicContact CG-CG 3.81Å; P118-E121 WeakPolarHBondContact O-CB 3.35Å; P118-E121 PolarHBondContact O-N 3.03Å; K119-E121 VanDerWaalsContact C-N 3.33Å; E121-R145 PolarHBondContact OE2-N 2.89Å; E121-N146 WeakPolarHBondContact OE1-CB 3.4Å; E121-N146 PolarHBondContact OE1-OD1 3.46Å; E121-N146 PolarHBondContact OE2-N 2.92Å
122I85.1Confident86.3Confident79 Ų7954.1 Ų54.141%0.40529%0.287SS..  trans-80.4124.6176.6-48.1175000109.8Y98 D120 M124Y98-I122 HydrophobicContact CD1-CG2 4.04Å; Y98-I122 HydrophobicContact CE1-CB 3.7Å; Y98-I122 HydrophobicContact CE1-CG2 3.54Å; D120-I122 PolarHBondContact O-N 3.21Å; I122-M124 PolarHBondContact O-N 3.27Å
123L87.2Confident86.2Confident0 Ų051.8 Ų51.80%027%0.273CS..  trans-50.3133169.6-178.366.1000111Y98 V103 N107 Y110 V126 Y142Y98-L123 WeakPolarHBondContact CE1-O 3.41Å; V103-L123 HydrophobicContact CG1-CB 4.2Å; V103-L123 HydrophobicContact CG1-CD2 4.28Å; V103-L123 HydrophobicContact CG1-CG 3.99Å; V103-L123 WeakPolarHBondContact CG1-O 3.49Å; N107-L123 HydrophobicContact CB-CB 4.44Å; N107-L123 WeakPolarHBondContact OD1-CB 3.35Å; N107-L123 PolarHBondContact OD1-N 3.2Å; Y110-L123 HydrophobicContact CD1-CB 4.37Å; Y110-L123 HydrophobicContact CD2-CD1 4.22Å; Y110-L123 HydrophobicContact CE2-CD1 4.49Å; Y110-L123 HydrophobicContact CG-CD1 4.35Å; L123-V126 HydrophobicContact CD1-CG2 4.29Å; L123-V126 HydrophobicContact CD2-CG2 3.72Å; L123-V126 HydrophobicContact CG-CG2 4.31Å; L123-Y142 HydrophobicContact CD1-CD1 3.8Å; L123-Y142 HydrophobicContact CD1-CG 4.26Å; L123-Y142 HydrophobicContact CD2-CD1 4.03Å
124M85.2Confident86Confident6 Ų657.9 Ų57.93%0.0331%0.306CS..  trans-102.8-45179.1-63.3176.962.600112.5V94 C97 Y98 V103 I122 I143 R145 I212V94-M124 HydrophobicContact CG1-CE 3.55Å; V94-M124 HydrophobicContact CG1-CG 4.47Å; V94-M124 HydrophobicContact CG1-SD 3.95Å; C97-M124 HydrophobicContact CB-CB 4.49Å; C97-M124 HydrophobicContact CB-CE 3.55Å; Y98-M124 HydrophobicContact CD1-CG 4.4Å; Y98-M124 HydrophobicContact CE1-CG 3.72Å; V103-M124 WeakPolarHBondContact CG2-O 3.44Å; I122-M124 PolarHBondContact O-N 3.27Å; M124-I143 WeakPolarHBondContact CA-O 3.2Å; M124-I143 WeakPolarHBondContact CB-O 3.16Å; M124-I143 PolarHBondContact N-O 3.07Å; M124-R145 HydrophobicContact SD-CB 4.46Å; M124-R145 HydrophobicContact SD-CG 3.8Å; M124-I212 HydrophobicContact CE-CD1 3.89Å; M124-I212 HydrophobicContact CE-CG1 4.12Å; M124-I212 HydrophobicContact SD-CD1 3.83Å; M124-I212 HydrophobicContact SD-CG1 4.27Å
125K86.8Confident85.9Confident53 Ų5360.8 Ų60.823%0.2332%0.321CS..EExtended strand (participates in β ladder)trans-147.9154.8-179.7-68.4-63.1178.1-160.30112C97 Y127 I143C97-K125 WeakPolarHBondContact O-CE 3.22Å; C97-K125 PolarHBondContact O-NZ 3.21Å; K125-Y127 HydrophobicContact CB-CD2 4.2Å; K125-Y127 HydrophobicContact CB-CE2 3.45Å; K125-Y127 VanDerWaalsContact CB-CE2 3.45Å; K125-Y127 HydrophobicContact CG-CE2 4.15Å; K125-I143 PolarHBondContact N-O 3.08Å; K125-I143 VanDerWaalsContact N-O 3.08Å; K125-I143 PolarHBondContact O-N 3.17Å
126V88.9Confident86Confident42 Ų4259.5 Ų59.526%0.25531%0.307SS..EExtended strand (participates in β ladder)trans-124.3132.3170.7-172.70000108.3Y106 L123 R140 L141 Y142Y106-V126 HydrophobicContact CD2-CG2 4.49Å; L123-V126 HydrophobicContact CD1-CG2 4.29Å; L123-V126 HydrophobicContact CD2-CG2 3.72Å; L123-V126 HydrophobicContact CG-CG2 4.31Å; V126-R140 HydrophobicContact CG1-CB 4.21Å; V126-L141 CarbonylContact C-O 3.51Å; V126-L141 WeakPolarHBondContact CA-O 3.49Å; V126-Y142 HydrophobicContact CG1-CD1 4.22Å; V126-Y142 HydrophobicContact CG1-CE1 4.01Å; V126-Y142 HydrophobicContact CG2-CD1 3.73Å; V126-Y142 HydrophobicContact CG2-CE1 3.89Å
127Y89.4Confident86.6Confident34 Ų3457.4 Ų57.413%0.13329%0.293CS..EExtended strand (participates in β ladder)trans-126.2133.1176.9-63.4-78.1000110K125 R140 L141 I143 V205K125-Y127 HydrophobicContact CB-CD2 4.2Å; K125-Y127 HydrophobicContact CB-CE2 3.45Å; K125-Y127 VanDerWaalsContact CB-CE2 3.45Å; K125-Y127 HydrophobicContact CG-CE2 4.15Å; Y127-R140 CarbonylContact O-C 3.37Å; Y127-R140 WeakPolarHBondContact O-CA 3.43Å; Y127-L141 PolarHBondContact N-O 3.42Å; Y127-L141 PolarHBondContact O-N 3.32Å; Y127-I143 HydrophobicContact CD2-CD1 3.84Å; Y127-I143 HydrophobicContact CD2-CG1 4.26Å; Y127-I143 HydrophobicContact CE2-CD1 3.78Å; Y127-I143 HydrophobicContact CE2-CG1 4.41Å; Y127-V205 HydrophobicContact CD1-CG2 3.48Å; Y127-V205 VanDerWaalsContact CD1-CG2 3.48Å; Y127-V205 HydrophobicContact CD2-CG1 4.45Å; Y127-V205 HydrophobicContact CD2-CG2 4.04Å; Y127-V205 HydrophobicContact CE1-CG2 3.51Å; Y127-V205 HydrophobicContact CE2-CG2 4.07Å; Y127-V205 HydrophobicContact CG-CG2 3.76Å
128S90.3Very high86.9Confident68 Ų6865 Ų6548%0.47633%0.327SS..EExtended strand (participates in β ladder)trans-74.8130.3167.6-58.80000109.3
129C90.9Very high87.3Confident6 Ų662.9 Ų62.94%0.04132%0.317CS..EExtended strand (participates in β ladder)trans-161.3166179.364.10000111.1G139 L199C129-G139 PolarHBondContact N-O 2.84Å; C129-G139 CarbonylContact O-C 3.45Å; C129-G139 VanDerWaalsContact O-C 3.26Å; C129-G139 PolarHBondContact O-N 2.99Å; C129-L199 HydrophobicContact CB-CD2 3.52Å; C129-L199 HydrophobicContact CB-CG 4.05Å
130A91.5Very high87.9Confident9 Ų959 Ų597%0.07430%0.297CS..EExtended strand (participates in β ladder)trans-107.4140.6165.800000110.6L137 F196 V197A130-L137 CarbonylContact C-O 3.21Å; A130-L137 WeakPolarHBondContact CA-O 3.46Å; A130-F196 CarbonylContact O-C 3.48Å; A130-F196 WeakPolarHBondContact O-CA 3.39Å; A130-V197 HydrophobicContact CB-CG2 3.95Å; A130-V197 PolarHBondContact N-O 3.27Å; A130-V197 PolarHBondContact O-N 3.4Å
131L91.6Very high88.4Confident0 Ų052.2 Ų52.20%026%0.261CS..EExtended strand (participates in β ladder)trans-94120.6169.2175.762.9000108.8R133 L137 F150 V161 Y194 F196L131-R133 HydrophobicContact CD2-CG 4.33Å; L131-R133 HydrophobicContact CG-CG 4.29Å; L131-R133 PolarHBondContact O-N 3.12Å; L131-L137 HydrophobicContact CB-CB 4.39Å; L131-L137 PolarHBondContact N-O 3.29Å; L131-L137 WeakPolarHBondContact O-CB 3.5Å; L131-L137 PolarHBondContact O-N 3.12Å; L131-F150 HydrophobicContact CB-CD1 3.94Å; L131-F150 HydrophobicContact CB-CE1 3.57Å; L131-F150 HydrophobicContact CB-CE2 4.29Å; L131-F150 HydrophobicContact CB-CG 4.44Å; L131-F150 HydrophobicContact CB-CZ 3.78Å; L131-F150 HydrophobicContact CD2-CD1 3.9Å; L131-F150 HydrophobicContact CD2-CE1 4.2Å; L131-V161 HydrophobicContact CD2-CG2 4.17Å; L131-Y194 HydrophobicContact CD1-CD1 4.21Å; L131-Y194 HydrophobicContact CD2-CD1 4.37Å; L131-F196 HydrophobicContact CB-CD1 4.29Å; L131-F196 HydrophobicContact CB-CE1 4.25Å; L131-F196 HydrophobicContact CD1-CD1 4.05Å; L131-F196 HydrophobicContact CD1-CE1 3.84Å; L131-F196 HydrophobicContact CD1-CE2 4.38Å; L131-F196 HydrophobicContact CD1-CG 4.43Å; L131-F196 HydrophobicContact CD1-CZ 4.02Å; L131-F196 HydrophobicContact CG-CE1 4.46Å
132L88.9Confident88.8Confident65 Ų6551.2 Ų51.234%0.3426%0.256SS..EExtended strand (participates in β ladder)trans-82.7111.4171.7178.166.2000109.1L136 V195 V197L132-L136 HydrophobicContact CB-CD2 3.89Å; L132-L136 HydrophobicContact CD1-CD2 3.67Å; L132-L136 HydrophobicContact CD1-CG 4.23Å; L132-L136 HydrophobicContact CG-CD2 4.34Å; L132-V195 HydrophobicContact CB-CB 4.19Å; L132-V195 HydrophobicContact CB-CG1 4.47Å; L132-V195 WeakPolarHBondContact CB-O 3.43Å; L132-V195 HydrophobicContact CD2-CB 4.34Å; L132-V195 HydrophobicContact CD2-CG1 4.2Å; L132-V195 PolarHBondContact N-O 3.42Å; L132-V197 HydrophobicContact CB-CG1 4.41Å
133R85.9Confident89Confident128 Ų12847.5 Ų47.548%0.48324%0.237SC..SBendtrans-114.6-122.9159.7-68.2-172.3177.5-138.99.9107.1L131 I135L131-R133 HydrophobicContact CD2-CG 4.33Å; L131-R133 HydrophobicContact CG-CG 4.29Å; L131-R133 PolarHBondContact O-N 3.12Å; R133-I135 VanDerWaalsContact C-N 3.27Å; R133-I135 PolarHBondContact N-O 2.76Å; R133-I135 VanDerWaalsContact N-O 3.07Å
134D83Confident89.2Confident145 Ų14547.5 Ų47.578%0.77524%0.237SC*.SBendtrans-67.9-31.3171.9-43.9-69000111.3
135I84.6Confident89.2Confident63 Ų6351.5 Ų51.532%0.32325%0.252SS..SBendtrans-130.9171.5172.260163.1000111.4R133 L137 L154 E317R133-I135 VanDerWaalsContact C-N 3.27Å; R133-I135 PolarHBondContact N-O 2.76Å; R133-I135 VanDerWaalsContact N-O 3.07Å; I135-L137 HydrophobicContact CD1-CD2 3.71Å; I135-L137 HydrophobicContact CG1-CD2 3.76Å; I135-L137 HydrophobicContact CG1-CG 4.41Å; I135-L137 PolarHBondContact O-N 2.86Å; I135-L154 HydrophobicContact CD1-CD1 4.24Å; I135-L154 HydrophobicContact CD1-CD2 3.63Å; I135-E317 WeakPolarHBondContact CD1-OE1 3.27Å
136L85.6Confident89.3Confident89 Ų8951.8 Ų51.847%0.46626%0.256SS..EExtended strand (participates in β ladder)trans-84.397.4173.7-71.7176000111.1L132 Q138 V197L132-L136 HydrophobicContact CB-CD2 3.89Å; L132-L136 HydrophobicContact CD1-CD2 3.67Å; L132-L136 HydrophobicContact CD1-CG 4.23Å; L132-L136 HydrophobicContact CG-CD2 4.34Å; L136-Q138 PolarHBondContact O-N 2.73Å; L136-V197 HydrophobicContact CD2-CG2 3.47Å; L136-V197 VanDerWaalsContact CD2-CG2 3.47Å
137L90.5Very high89.4Confident4 Ų451.2 Ų51.22%0.02125%0.249CC..EExtended strand (participates in β ladder)trans-78.7100.6176.7-58.2178.7000109.8A130 L131 I135 F150 A152 L154 I159A130-L137 CarbonylContact C-O 3.21Å; A130-L137 WeakPolarHBondContact CA-O 3.46Å; L131-L137 HydrophobicContact CB-CB 4.39Å; L131-L137 PolarHBondContact N-O 3.29Å; L131-L137 WeakPolarHBondContact O-CB 3.5Å; L131-L137 PolarHBondContact O-N 3.12Å; I135-L137 HydrophobicContact CD1-CD2 3.71Å; I135-L137 HydrophobicContact CG1-CD2 3.76Å; I135-L137 HydrophobicContact CG1-CG 4.41Å; I135-L137 PolarHBondContact O-N 2.86Å; L137-F150 HydrophobicContact CB-CE1 4.23Å; L137-F150 HydrophobicContact CB-CZ 4.49Å; L137-F150 VanDerWaalsContact O-CZ 3.3Å; L137-F150 WeakPolarHBondContact O-CZ 3.49Å; L137-A152 HydrophobicContact CB-CB 4.21Å; L137-L154 HydrophobicContact CD2-CD1 4.39Å; L137-L154 HydrophobicContact CD2-CD2 3.85Å; L137-L154 HydrophobicContact CD2-CG 4.5Å; L137-I159 HydrophobicContact CD1-CD1 4.04Å; L137-I159 HydrophobicContact CD1-CG2 4.13Å; L137-I159 HydrophobicContact CD2-CD1 3.68Å; L137-I159 HydrophobicContact CG-CD1 4.46Å
138Q90.6Very high89.5Confident165 Ų16549.7 Ų49.777%0.77124%0.243SC*.EExtended strand (participates in β ladder)trans-72.8128.5177.2-178.6171.6-31.400111.3L136 A152L136-Q138 PolarHBondContact O-N 2.73Å; Q138-A152 VanDerWaalsContact O-CB 3.26Å; Q138-A152 WeakPolarHBondContact O-CB 2.98Å
139G92.4Very high89.6Confident16 Ų1646.4 Ų46.417%0.16522%0.221CC..EExtended strand (participates in β ladder)trans-168.4-151.2-174.400000114.8C129 Y151C129-G139 PolarHBondContact N-O 2.84Å; C129-G139 CarbonylContact O-C 3.45Å; C129-G139 VanDerWaalsContact O-C 3.26Å; C129-G139 PolarHBondContact O-N 2.99Å; G139-Y151 CarbonylContact C-O 3.26Å; G139-Y151 WeakPolarHBondContact CA-O 3.49Å
140R91.9Very high89.8Confident101 Ų10146.2 Ų46.238%0.38122%0.219SC..EExtended strand (participates in β ladder)trans-136.1132.1179.5-63.5-178.1-176-177.11.5110.6V126 Y127 Y142 F150 Y151V126-R140 HydrophobicContact CG1-CB 4.21Å; Y127-R140 CarbonylContact O-C 3.37Å; Y127-R140 WeakPolarHBondContact O-CA 3.43Å; R140-Y142 HydrophobicContact CB-CD2 4.42Å; R140-Y142 HydrophobicContact CB-CE2 3.73Å; R140-F150 WeakPolarHBondContact O-CA 3.37Å; R140-F150 WeakPolarHBondContact O-CD2 3.41Å; R140-Y151 PolarHBondContact N-O 3.02Å; R140-Y151 PolarHBondContact O-N 2.88Å
141L91.9Very high89.9Confident1 Ų147.8 Ų47.81%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-93119.6169.7178.665.4000109.1V126 Y127 I143 L148 F150 F196V126-L141 CarbonylContact C-O 3.51Å; V126-L141 WeakPolarHBondContact CA-O 3.49Å; Y127-L141 PolarHBondContact N-O 3.42Å; Y127-L141 PolarHBondContact O-N 3.32Å; L141-I143 HydrophobicContact CD2-CD1 4.06Å; L141-I143 HydrophobicContact CD2-CG1 4.2Å; L141-I143 HydrophobicContact CG-CD1 4.39Å; L141-I143 HydrophobicContact CG-CG1 3.98Å; L141-L148 HydrophobicContact CD1-CB 4.5Å; L141-F150 HydrophobicContact CB-CD2 4.4Å; L141-F150 HydrophobicContact CD1-CB 4.34Å; L141-F196 HydrophobicContact CD1-CE1 4.25Å; L141-F196 HydrophobicContact CD1-CZ 4.34Å
142Y91.8Very high90Very high2 Ų247.8 Ų47.81%0.00822%0.224CC..EExtended strand (participates in β ladder)trans-97.6126.7172.6-62.8-97.1000107.8Y110 L113 F114 L123 V126 R140 C149Y110-Y142 AromaticContact CD2-CD1 3.86Å; Y110-Y142 HydrophobicContact CD2-CD1 3.86Å; Y110-Y142 AromaticContact CD2-CG 3.82Å; Y110-Y142 HydrophobicContact CD2-CG 3.82Å; Y110-Y142 HydrophobicContact CE2-CG 4.33Å; L113-Y142 HydrophobicContact CD1-CE2 4.36Å; F114-Y142 HydrophobicContact CE2-CD2 4.06Å; F114-Y142 HydrophobicContact CE2-CE2 4.49Å; L123-Y142 HydrophobicContact CD1-CD1 3.8Å; L123-Y142 HydrophobicContact CD1-CG 4.26Å; L123-Y142 HydrophobicContact CD2-CD1 4.03Å; V126-Y142 HydrophobicContact CG1-CD1 4.22Å; V126-Y142 HydrophobicContact CG1-CE1 4.01Å; V126-Y142 HydrophobicContact CG2-CD1 3.73Å; V126-Y142 HydrophobicContact CG2-CE1 3.89Å; R140-Y142 HydrophobicContact CB-CD2 4.42Å; R140-Y142 HydrophobicContact CB-CE2 3.73Å; Y142-C149 WeakPolarHBondContact CB-O 3.3Å; Y142-C149 PolarHBondContact N-O 3.18Å; Y142-C149 PolarHBondContact O-N 3.44Å
143I90.6Very high89.9Confident0 Ų049 Ų490%023%0.23CC..EExtended strand (participates in β ladder)trans-116.5120.9-178.9-59-166.7000108M124 K125 Y127 L141 L148 V205 V208 L209 I212M124-I143 WeakPolarHBondContact CA-O 3.2Å; M124-I143 WeakPolarHBondContact CB-O 3.16Å; M124-I143 PolarHBondContact N-O 3.07Å; K125-I143 PolarHBondContact N-O 3.08Å; K125-I143 VanDerWaalsContact N-O 3.08Å; K125-I143 PolarHBondContact O-N 3.17Å; Y127-I143 HydrophobicContact CD2-CD1 3.84Å; Y127-I143 HydrophobicContact CD2-CG1 4.26Å; Y127-I143 HydrophobicContact CE2-CD1 3.78Å; Y127-I143 HydrophobicContact CE2-CG1 4.41Å; L141-I143 HydrophobicContact CD2-CD1 4.06Å; L141-I143 HydrophobicContact CD2-CG1 4.2Å; L141-I143 HydrophobicContact CG-CD1 4.39Å; L141-I143 HydrophobicContact CG-CG1 3.98Å; I143-L148 HydrophobicContact CB-CD2 4.25Å; I143-L148 HydrophobicContact CD1-CD2 4.39Å; I143-L148 HydrophobicContact CG1-CD2 4.03Å; I143-L148 HydrophobicContact CG2-CD2 3.8Å; I143-V205 HydrophobicContact CD1-CG1 4.4Å; I143-V208 HydrophobicContact CG2-CG1 4.41Å; I143-L209 HydrophobicContact CD1-CD2 3.98Å; I143-L209 HydrophobicContact CD1-CG 4.15Å; I143-I212 HydrophobicContact CG2-CD1 3.36Å
144S90.4Very high89.9Confident0 Ų044 Ų440%021%0.213CC..  trans-116.7-176.9175.5-560000109.6Y110 W147Y110-S144 WeakPolarHBondContact CE1-OG 3.47Å; Y110-S144 PolarHBondContact OH-OG 2.99Å; S144-W147 PolarHBondContact N-O 3.43Å
145R86.4Confident89.7Confident90 Ų9042.5 Ų42.534%0.3420%0.2SC..SBendtrans-64.6-49.9-179.4-78.6178.7153.4139.2-5.2111.7V94 Y98 E121 M124 I212V94-R145 HydrophobicContact CG1-CG 4.19Å; Y98-R145 PolarHBondContact OH-NH1 3.43Å; E121-R145 PolarHBondContact OE2-N 2.89Å; M124-R145 HydrophobicContact SD-CB 4.46Å; M124-R145 HydrophobicContact SD-CG 3.8Å; R145-I212 WeakPolarHBondContact O-CG2 3.5Å
146N88.4Confident89.5Confident59 Ų5942.5 Ų42.532%0.31622%0.216SC..SBendtrans-111.70.7-173.6-55.829.4000113E121 V165E121-N146 WeakPolarHBondContact OE1-CB 3.4Å; E121-N146 PolarHBondContact OE1-OD1 3.46Å; E121-N146 PolarHBondContact OE2-N 2.92Å; N146-V165 VanDerWaalsContact C-CG2 3.49Å; N146-V165 WeakPolarHBondContact O-CB 3.5Å; N146-V165 PolarHBondContact O-N 3.14Å
147W90.7Very high89.4Confident31 Ų3141.9 Ų41.912%0.11721%0.209CC..EExtended strand (participates in β ladder)trans-138.2138.1-173.1-63.487.3000113.6I41 V117 S144 A162 P164I41-W147 HydrophobicContact CD1-CH2 3.89Å; I41-W147 HydrophobicContact CG1-CH2 4.42Å; V117-W147 HydrophobicContact CG1-CG 4.25Å; V117-W147 HydrophobicContact CG2-CD2 4.28Å; V117-W147 HydrophobicContact CG2-CG 4.26Å; S144-W147 PolarHBondContact N-O 3.43Å; W147-A162 HydrophobicContact CE3-CB 4.35Å; W147-A162 HydrophobicContact CZ3-CB 4.42Å; W147-P164 HydrophobicContact CE3-CB 4.45Å; W147-P164 HydrophobicContact CE3-CG 4.22Å; W147-P164 HydrophobicContact CH2-CG 4.06Å; W147-P164 HydrophobicContact CZ3-CB 4.3Å; W147-P164 HydrophobicContact CZ3-CG 3.68Å
148L92.1Very high89.3Confident1 Ų145.4 Ų45.41%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-112.3113.2167.9-54179000108.1L141 I143 I163 V165 V168 I186 L209L141-L148 HydrophobicContact CD1-CB 4.5Å; I143-L148 HydrophobicContact CB-CD2 4.25Å; I143-L148 HydrophobicContact CD1-CD2 4.39Å; I143-L148 HydrophobicContact CG1-CD2 4.03Å; I143-L148 HydrophobicContact CG2-CD2 3.8Å; L148-I163 HydrophobicContact CB-CB 4.36Å; L148-I163 PolarHBondContact N-O 2.91Å; L148-I163 PolarHBondContact O-N 2.91Å; L148-V165 HydrophobicContact CD2-CG2 4.23Å; L148-V165 HydrophobicContact CG-CG2 4.04Å; L148-V168 HydrophobicContact CD1-CG2 4.01Å; L148-I186 HydrophobicContact CD1-CD1 4.12Å; L148-L209 HydrophobicContact CD1-CD2 3.55Å; L148-L209 HydrophobicContact CD2-CD2 3.48Å; L148-L209 VanDerWaalsContact CD2-CD2 3.48Å; L148-L209 HydrophobicContact CG-CD2 4.17Å
149C92.7Very high89.3Confident0 Ų038.9 Ų38.90%020%0.198CC..EExtended strand (participates in β ladder)trans-120124-175.4-54.60000110.7Y110 F114 Y142 V161Y110-C149 HydrophobicContact CE2-CB 3.82Å; Y110-C149 PolarHBondContact OH-SG 3.49Å; Y110-C149 VanDerWaalsContact OH-SG 3.34Å; F114-C149 HydrophobicContact CD1-CB 3.97Å; F114-C149 HydrophobicContact CD2-CB 3.89Å; F114-C149 HydrophobicContact CE1-CB 3.73Å; F114-C149 HydrophobicContact CE2-CB 3.65Å; F114-C149 HydrophobicContact CG-CB 4.04Å; F114-C149 HydrophobicContact CZ-CB 3.56Å; Y142-C149 WeakPolarHBondContact CB-O 3.3Å; Y142-C149 PolarHBondContact N-O 3.18Å; Y142-C149 PolarHBondContact O-N 3.44Å; C149-V161 CarbonylContact C-O 3.5Å; C149-V161 VanDerWaalsContact CA-O 3.28Å; C149-V161 WeakPolarHBondContact CA-O 3.3Å
150F94.7Very high89.3Confident2 Ų242.5 Ų42.51%0.00921%0.209CC..EExtended strand (participates in β ladder)trans-107.1131.1176.2177.4-99.2000110.4L131 L137 R140 L141 A152 K160 V161 F196L131-F150 HydrophobicContact CB-CD1 3.94Å; L131-F150 HydrophobicContact CB-CE1 3.57Å; L131-F150 HydrophobicContact CB-CE2 4.29Å; L131-F150 HydrophobicContact CB-CG 4.44Å; L131-F150 HydrophobicContact CB-CZ 3.78Å; L131-F150 HydrophobicContact CD2-CD1 3.9Å; L131-F150 HydrophobicContact CD2-CE1 4.2Å; L137-F150 HydrophobicContact CB-CE1 4.23Å; L137-F150 HydrophobicContact CB-CZ 4.49Å; L137-F150 VanDerWaalsContact O-CZ 3.3Å; L137-F150 WeakPolarHBondContact O-CZ 3.49Å; R140-F150 WeakPolarHBondContact O-CA 3.37Å; R140-F150 WeakPolarHBondContact O-CD2 3.41Å; L141-F150 HydrophobicContact CB-CD2 4.4Å; L141-F150 HydrophobicContact CD1-CB 4.34Å; F150-A152 HydrophobicContact CE1-CB 3.63Å; F150-A152 HydrophobicContact CZ-CB 3.82Å; F150-K160 WeakPolarHBondContact O-CA 3.08Å; F150-V161 HydrophobicContact CB-CB 4.34Å; F150-V161 PolarHBondContact N-O 2.95Å; F150-V161 PolarHBondContact O-N 2.88Å; F150-F196 HydrophobicContact CB-CE1 4.01Å; F150-F196 HydrophobicContact CD2-CD1 4.34Å; F150-F196 AromaticContact CD2-CE1 3.9Å; F150-F196 HydrophobicContact CD2-CE1 3.9Å; F150-F196 AromaticContact CG-CE1 3.98Å; F150-F196 HydrophobicContact CG-CE1 3.98Å
151Y93.3Very high89.2Confident41 Ų4138.2 Ų38.216%0.16119%0.194CC..EExtended strand (participates in β ladder)trans-122.5128.2175.2172.5-108000110L113 G139 R140 D158 I159 K160L113-Y151 HydrophobicContact CD1-CD1 4.03Å; L113-Y151 HydrophobicContact CD1-CE1 4.47Å; L113-Y151 HydrophobicContact CD1-CG 4.06Å; L113-Y151 HydrophobicContact CD2-CD1 4.45Å; L113-Y151 HydrophobicContact CD2-CD2 4.05Å; L113-Y151 HydrophobicContact CD2-CE1 4.26Å; L113-Y151 HydrophobicContact CD2-CE2 3.85Å; L113-Y151 HydrophobicContact CD2-CG 4.34Å; G139-Y151 CarbonylContact C-O 3.26Å; G139-Y151 WeakPolarHBondContact CA-O 3.49Å; R140-Y151 PolarHBondContact N-O 3.02Å; R140-Y151 PolarHBondContact O-N 2.88Å; Y151-D158 HydrophobicContact CE2-CB 4.09Å; Y151-D158 VanDerWaalsContact CE2-CG 3.46Å; Y151-D158 VanDerWaalsContact CE2-OD1 3.29Å; Y151-D158 WeakPolarHBondContact CE2-OD1 3.41Å; Y151-D158 PolarHBondContact OH-OD1 2.85Å; Y151-I159 WeakPolarHBondContact CA-O 3.16Å; Y151-K160 HydrophobicContact CD2-CG 3.87Å; Y151-K160 HydrophobicContact CE2-CG 4.48Å
152A93.1Very high89.2Confident1 Ų139.9 Ų39.91%0.00821%0.209CC..EExtended strand (participates in β ladder)trans-130.1146.9167.900000109.5L137 Q138 F150 I159L137-A152 HydrophobicContact CB-CB 4.21Å; Q138-A152 VanDerWaalsContact O-CB 3.26Å; Q138-A152 WeakPolarHBondContact O-CB 2.98Å; F150-A152 HydrophobicContact CE1-CB 3.63Å; F150-A152 HydrophobicContact CZ-CB 3.82Å; A152-I159 HydrophobicContact CB-CB 4.49Å; A152-I159 PolarHBondContact N-O 2.69Å; A152-I159 PolarHBondContact O-N 3.08Å
153N88.3Confident89.2Confident90 Ų9040.1 Ų40.148%0.48121%0.21SC..EExtended strand (participates in β ladder)trans-107.1121.1165.5-176.4-36.6000107.2G156N153-G156 WeakPolarHBondContact OD1-CA 3.46Å; N153-G156 PolarHBondContact OD1-N 3.42Å; N153-G156 VanDerWaalsContact OD1-N 3.12Å
154L85.1Confident89.3Confident24 Ų2441.7 Ų41.713%0.12622%0.22CC..EExtended strand (participates in β ladder)trans-125.2112.1179.6-170.779.5000108.6I135 L137 G156 K157 I159 E317I135-L154 HydrophobicContact CD1-CD1 4.24Å; I135-L154 HydrophobicContact CD1-CD2 3.63Å; L137-L154 HydrophobicContact CD2-CD1 4.39Å; L137-L154 HydrophobicContact CD2-CD2 3.85Å; L137-L154 HydrophobicContact CD2-CG 4.5Å; L154-G156 PolarHBondContact O-N 3.01Å; L154-G156 VanDerWaalsContact O-N 3.14Å; L154-K157 PolarHBondContact N-O 3.06Å; L154-K157 WeakPolarHBondContact O-CB 3.48Å; L154-K157 PolarHBondContact O-N 3.26Å; L154-I159 HydrophobicContact CB-CD1 3.78Å; L154-I159 HydrophobicContact CD2-CD1 4.04Å; L154-E317 VanDerWaalsContact CD2-OE1 3.28Å; L154-E317 WeakPolarHBondContact CD2-OE1 3.2Å
155F77.9Confident89.3Confident112 Ų11242.1 Ų42.149%0.49122%0.222SC..THydrogen-bonded Turntrans5037.6-179.6-51.2-57.6000114.4K157 L320F155-K157 VanDerWaalsContact C-N 3.28Å; F155-K157 PolarHBondContact O-N 3.26Å; F155-L320 HydrophobicContact CD1-CD1 4.44Å; F155-L320 HydrophobicContact CD1-CD2 3.81Å; F155-L320 HydrophobicContact CD2-CD2 3.98Å; F155-L320 HydrophobicContact CE1-CD1 4.35Å; F155-L320 HydrophobicContact CE1-CD2 3.23Å; F155-L320 HydrophobicContact CE1-CG 4.41Å; F155-L320 HydrophobicContact CE2-CD2 3.42Å; F155-L320 VanDerWaalsContact CE2-CD2 3.42Å; F155-L320 HydrophobicContact CG-CD2 4.19Å; F155-L320 HydrophobicContact CZ-CD2 3.04Å; F155-L320 HydrophobicContact CZ-CG 4.48Å
156G80.7Confident89.4Confident64 Ų6442.2 Ų42.266%0.6623%0.233SC*.THydrogen-bonded Turntrans83.7-5-17900000114.6N153 L154N153-G156 WeakPolarHBondContact OD1-CA 3.46Å; N153-G156 PolarHBondContact OD1-N 3.42Å; N153-G156 VanDerWaalsContact OD1-N 3.12Å; L154-G156 PolarHBondContact O-N 3.01Å; L154-G156 VanDerWaalsContact O-N 3.14Å
157K83.7Confident89.5Confident76 Ų7640.5 Ų40.533%0.3323%0.225SC..EExtended strand (participates in β ladder)trans-87.9126.5169.5-67.2-172.3176-174.10110.5L154 F155 I159 E312 L313 M316L154-K157 PolarHBondContact N-O 3.06Å; L154-K157 WeakPolarHBondContact O-CB 3.48Å; L154-K157 PolarHBondContact O-N 3.26Å; F155-K157 VanDerWaalsContact C-N 3.28Å; F155-K157 PolarHBondContact O-N 3.26Å; K157-I159 PolarHBondContact O-N 2.93Å; K157-E312 PolarHBondContact NZ-O 3.14Å; K157-L313 HydrophobicContact CD-CD1 4.18Å; K157-M316 VanDerWaalsContact CE-SD 3.52Å
158D88.6Confident89.5Confident78 Ų7839.1 Ų39.142%0.41722%0.22SC..EExtended strand (participates in β ladder)trans-78.1105.6173.7-97.910.7000110.4Y151 K160Y151-D158 HydrophobicContact CE2-CB 4.09Å; Y151-D158 VanDerWaalsContact CE2-CG 3.46Å; Y151-D158 VanDerWaalsContact CE2-OD1 3.29Å; Y151-D158 WeakPolarHBondContact CE2-OD1 3.41Å; Y151-D158 PolarHBondContact OH-OD1 2.85Å; D158-K160 VanDerWaalsContact OD2-CE 3.31Å; D158-K160 WeakPolarHBondContact OD2-CE 3.15Å; D158-K160 IonicContact OD2-NZ 2.72Å; D158-K160 PolarHBondContact OD2-NZ 2.79Å
159I90.1Very high89.4Confident28 Ų2847 Ų4714%0.14425%0.249CC..EExtended strand (participates in β ladder)trans-94.7118.2174.6-58.1170.5000109L137 Y151 A152 L154 K157 L313L137-I159 HydrophobicContact CD1-CD1 4.04Å; L137-I159 HydrophobicContact CD1-CG2 4.13Å; L137-I159 HydrophobicContact CD2-CD1 3.68Å; L137-I159 HydrophobicContact CG-CD1 4.46Å; Y151-I159 WeakPolarHBondContact CA-O 3.16Å; A152-I159 HydrophobicContact CB-CB 4.49Å; A152-I159 PolarHBondContact N-O 2.69Å; A152-I159 PolarHBondContact O-N 3.08Å; L154-I159 HydrophobicContact CB-CD1 3.78Å; L154-I159 HydrophobicContact CD2-CD1 4.04Å; K157-I159 PolarHBondContact O-N 2.93Å; I159-L313 HydrophobicContact CD1-CD1 4.24Å; I159-L313 HydrophobicContact CD1-CD2 4.26Å
160K92.1Very high89.2Confident91 Ų9151.3 Ų51.340%0.39627%0.272SS..EExtended strand (participates in β ladder)trans-123.7125.8-176.2-70.3166.4-177.5177.50109.7L113 F114 F150 Y151 D158L113-K160 VanDerWaalsContact O-CD 3.3Å; L113-K160 WeakPolarHBondContact O-CD 3.33Å; L113-K160 VanDerWaalsContact O-CE 3.25Å; L113-K160 WeakPolarHBondContact O-CE 3.4Å; L113-K160 PolarHBondContact O-NZ 2.9Å; L113-K160 VanDerWaalsContact O-NZ 3.13Å; F114-K160 HydrophobicContact CD1-CB 4.4Å; F114-K160 HydrophobicContact CE1-CB 3.83Å; F114-K160 HydrophobicContact CE1-CG 4.03Å; F114-K160 HydrophobicContact CZ-CG 4.49Å; F150-K160 WeakPolarHBondContact O-CA 3.08Å; Y151-K160 HydrophobicContact CD2-CG 3.87Å; Y151-K160 HydrophobicContact CE2-CG 4.48Å; D158-K160 VanDerWaalsContact OD2-CE 3.31Å; D158-K160 WeakPolarHBondContact OD2-CE 3.15Å; D158-K160 IonicContact OD2-NZ 2.72Å; D158-K160 PolarHBondContact OD2-NZ 2.79Å
161V91.1Very high89Confident11 Ų1151.8 Ų51.87%0.06728%0.275CS..EExtended strand (participates in β ladder)trans-124.9124.1175.7-174.30000107.9L131 C149 F150 I163 Y194L131-V161 HydrophobicContact CD2-CG2 4.17Å; C149-V161 CarbonylContact C-O 3.5Å; C149-V161 VanDerWaalsContact CA-O 3.28Å; C149-V161 WeakPolarHBondContact CA-O 3.3Å; F150-V161 HydrophobicContact CB-CB 4.34Å; F150-V161 PolarHBondContact N-O 2.95Å; F150-V161 PolarHBondContact O-N 2.88Å; V161-I163 HydrophobicContact CG1-CD1 4.29Å; V161-I163 HydrophobicContact CG1-CG1 3.98Å; V161-Y194 HydrophobicContact CG1-CD1 4.48Å; V161-Y194 HydrophobicContact CG1-CE1 3.86Å
162A91.9Very high88.8Confident37 Ų3756.6 Ų56.631%0.30630%0.297SS..EExtended strand (participates in β ladder)trans-117.3119.9174.600000109.3W147W147-A162 HydrophobicContact CE3-CB 4.35Å; W147-A162 HydrophobicContact CZ3-CB 4.42Å
163I92Very high88.6Confident6 Ų660.5 Ų60.53%0.03131%0.314CS..EExtended strand (participates in β ladder)trans-116.4114.2-179.1-51.5175.1000107L148 V161 V168 Y194L148-I163 HydrophobicContact CB-CB 4.36Å; L148-I163 PolarHBondContact N-O 2.91Å; L148-I163 PolarHBondContact O-N 2.91Å; V161-I163 HydrophobicContact CG1-CD1 4.29Å; V161-I163 HydrophobicContact CG1-CG1 3.98Å; I163-V168 HydrophobicContact CG2-CG2 4.16Å; I163-Y194 HydrophobicContact CD1-CD1 4.05Å; I163-Y194 HydrophobicContact CD1-CD2 3.64Å; I163-Y194 HydrophobicContact CD1-CE1 4.22Å; I163-Y194 HydrophobicContact CD1-CE2 3.82Å; I163-Y194 HydrophobicContact CD1-CG 3.75Å; I163-Y194 HydrophobicContact CG1-CE2 4.39Å
164P91.3Very high88.4Confident33 Ų3358.7 Ų58.721%0.21430%0.302CS..EExtended strand (participates in β ladder)trans-60.4138.1171.2-18.328.5000110.7W147 V166 T167W147-P164 HydrophobicContact CE3-CB 4.45Å; W147-P164 HydrophobicContact CE3-CG 4.22Å; W147-P164 HydrophobicContact CH2-CG 4.06Å; W147-P164 HydrophobicContact CZ3-CB 4.3Å; W147-P164 HydrophobicContact CZ3-CG 3.68Å; P164-V166 HydrophobicContact CB-CG2 3.81Å; P164-V166 PolarHBondContact O-N 3.01Å; P164-T167 HydrophobicContact CB-CG2 4.15Å; P164-T167 HydrophobicContact CG-CG2 4.15Å; P164-T167 PolarHBondContact O-N 2.88Å; P164-T167 VanDerWaalsContact O-N 3.12Å; P164-T167 PolarHBondContact O-OG1 3.44Å
165V90.4Very high88Confident9 Ų965.3 Ų65.36%0.05533%0.33CS..G310 helixtrans-57.4-39175.8162.10000110.9N146 L148 T167 V168 I212 C213 H215N146-V165 VanDerWaalsContact C-CG2 3.49Å; N146-V165 WeakPolarHBondContact O-CB 3.5Å; N146-V165 PolarHBondContact O-N 3.14Å; L148-V165 HydrophobicContact CD2-CG2 4.23Å; L148-V165 HydrophobicContact CG-CG2 4.04Å; V165-T167 PolarHBondContact O-N 3.4Å; V165-V168 WeakPolarHBondContact O-CB 3.47Å; V165-V168 PolarHBondContact O-N 3.19Å; V165-V168 VanDerWaalsContact O-N 3.08Å; V165-I212 HydrophobicContact CG1-CG2 4.16Å; V165-I212 HydrophobicContact CG2-CG2 3.88Å; V165-C213 HydrophobicContact CG1-CB 4.35Å; V165-H215 PolarHBondContact O-CE1 3.28Å; V165-H215 PolarHBondContact O-NE2 2.89Å
166V88.6Confident87.5Confident93 Ų9362.3 Ų62.356%0.56432%0.321SS*.G310 helixtrans-61.6-23.7179-60.30000114.4P164P164-V166 HydrophobicContact CB-CG2 3.81Å; P164-V166 PolarHBondContact O-N 3.01Å
167T90.3Very high86.2Confident22 Ų2263.9 Ų63.914%0.13533%0.328CS..G310 helixtrans-92.1-7177.864.80000112.8P164 V165 R169 T188 D189P164-T167 HydrophobicContact CB-CG2 4.15Å; P164-T167 HydrophobicContact CG-CG2 4.15Å; P164-T167 PolarHBondContact O-N 2.88Å; P164-T167 VanDerWaalsContact O-N 3.12Å; P164-T167 PolarHBondContact O-OG1 3.44Å; V165-T167 PolarHBondContact O-N 3.4Å; T167-R169 PolarHBondContact O-N 2.94Å; T167-T188 CarbonylContact O-C 3.6Å; T167-T188 VanDerWaalsContact O-CA 3.27Å; T167-T188 WeakPolarHBondContact O-CA 3.47Å; T167-T188 WeakPolarHBondContact O-CG2 3.44Å; T167-D189 WeakPolarHBondContact CG2-OD2 3.42Å; T167-D189 PolarHBondContact O-N 3.3Å
168V91.8Very high84.9Confident2 Ų264.9 Ų64.91%0.01236%0.359CS..EExtended strand (participates in β ladder)trans-69.4120.8175-179.90000109.1L148 I163 V165 V171 I186 H215 L216L148-V168 HydrophobicContact CD1-CG2 4.01Å; I163-V168 HydrophobicContact CG2-CG2 4.16Å; V165-V168 WeakPolarHBondContact O-CB 3.47Å; V165-V168 PolarHBondContact O-N 3.19Å; V165-V168 VanDerWaalsContact O-N 3.08Å; V168-V171 HydrophobicContact CG1-CG2 3.74Å; V168-I186 HydrophobicContact CB-CG2 4.41Å; V168-I186 HydrophobicContact CG1-CG2 3.64Å; V168-I186 HydrophobicContact CG2-CG2 3.98Å; V168-H215 PolarHBondContact O-NE2 3.5Å; V168-L216 HydrophobicContact CG1-CD1 3.93Å; V168-L216 WeakPolarHBondContact O-CD2 3.31Å
169R89.9Confident83.4Confident166 Ų16667.9 Ų67.963%0.62638%0.375SS*.EExtended strand (participates in β ladder)trans-99.3-30.5179.5-176.2179.6173.2-151.9-1.3113.4T167 T187 N191 L216T167-R169 PolarHBondContact O-N 2.94Å; R169-T187 PolarHBondContact N-O 3.21Å; R169-N191 PolarHBondContact NH1-OD1 2.76Å; R169-L216 WeakPolarHBondContact O-CD2 3.31Å
170L88Confident81.9Confident91 Ų9167.8 Ų67.848%0.47638%0.375SS..EExtended strand (participates in β ladder)trans-152.1141.4179.3-178.564.1000110.7I186 T187L170-I186 WeakPolarHBondContact O-CA 3.36Å; L170-T187 PolarHBondContact N-O 3.03Å; L170-T187 VanDerWaalsContact N-O 3.12Å; L170-T187 PolarHBondContact O-N 2.85Å
171V90.6Very high80.3Confident13 Ų1367.4 Ų67.48%0.07938%0.382CS..EExtended strand (participates in β ladder)trans-120.7120.4167.7-178.80000107.9V168 L184 A185 I186 Y206 L209 L216V168-V171 HydrophobicContact CG1-CG2 3.74Å; V171-L184 HydrophobicContact CG1-CD1 3.64Å; V171-L184 HydrophobicContact CG1-CD2 4.21Å; V171-L184 HydrophobicContact CG1-CG 4.06Å; V171-A185 CarbonylContact C-O 3.6Å; V171-A185 WeakPolarHBondContact CA-O 3.4Å; V171-I186 HydrophobicContact CG2-CG1 4.39Å; V171-I186 HydrophobicContact CG2-CG2 4.47Å; V171-Y206 HydrophobicContact CB-CE2 4.45Å; V171-Y206 HydrophobicContact CG1-CD2 3.79Å; V171-Y206 HydrophobicContact CG1-CE2 4.01Å; V171-Y206 WeakPolarHBondContact O-CE2 3.25Å; V171-L209 HydrophobicContact CG1-CD1 4.47Å; V171-L216 HydrophobicContact CB-CD1 4.44Å; V171-L216 HydrophobicContact CG2-CD1 3.73Å
172K89.4Confident79.8Confident141 Ų14169.6 Ų69.661%0.61339%0.394SS*.EExtended strand (participates in β ladder)trans-124.8131.9-178.2-174.8170.8-1781730110.4H174 A185K172-H174 PolarHBondContact O-N 3.34Å; K172-A185 PolarHBondContact N-O 2.87Å; K172-A185 PolarHBondContact O-N 3.33Å
173K89.4Confident79.6Confident84 Ų8467.9 Ų67.937%0.36538%0.379SS..EExtended strand (participates in β ladder)trans-64.5122.8172.4-60.5-175.8-178.6-169.10108.6D203 Y206K173-D203 WeakPolarHBondContact CD-OD1 3.39Å; K173-D203 VanDerWaalsContact CE-OD1 3.3Å; K173-D203 WeakPolarHBondContact CE-OD1 3.48Å; K173-D203 IonicContact NZ-OD1 3.22Å; K173-D203 PolarHBondContact NZ-OD1 2.91Å; K173-Y206 HydrophobicContact CD-CD2 4.42Å; K173-Y206 HydrophobicContact CD-CG 4.34Å; K173-Y206 HydrophobicContact CG-CD2 3.73Å; K173-Y206 HydrophobicContact CG-CE2 4.08Å; K173-Y206 HydrophobicContact CG-CG 4.09Å
174H83.9Confident79.5Confident52 Ų5267.6 Ų67.624%0.24138%0.378CS..EExtended strand (participates in β ladder)trans-107.5132.2-177.4-163.1-90.4000109.6K172 T176 G183 A185K172-H174 PolarHBondContact O-N 3.34Å; H174-T176 PolarHBondContact CE1-OG1 2.82Å; H174-T176 PolarHBondContact ND1-OG1 2.82Å; H174-G183 PolarHBondContact N-O 2.82Å; H174-G183 CarbonylContact O-C 3.58Å; H174-G183 WeakPolarHBondContact O-CA 3.17Å; H174-G183 PolarHBondContact O-N 2.8Å; H174-A185 HydrophobicContact CB-CB 4.36Å
175K77.1Confident79.5Confident162 Ų16266.2 Ų66.270%0.70437%0.369SS*.EExtended strand (participates in β ladder)trans-119.8111.3172-67.9-178.4178.8-179.40107
176T66.3Low79.6Confident50 Ų5065.9 Ų65.931%0.30737%0.367SS..EExtended strand (participates in β ladder)trans-86.2121.1171.6-56.40000107.3H174 V180H174-T176 PolarHBondContact CE1-OG1 2.82Å; H174-T176 PolarHBondContact ND1-OG1 2.82Å; T176-V180 PolarHBondContact N-O 3.06Å
177A54.4Low79.8Confident97 Ų9762.9 Ų62.980%0.80235%0.349SS*.THydrogen-bonded Turntrans-58.8139.7-178.800000111.3L179A177-L179 PolarHBondContact O-N 2.8Å
178G56.7Low79.9Confident96 Ų9662.1 Ų62.199%0.9934%0.344SS*.THydrogen-bonded Turntrans75.7-46.3173.900000116.7
179L57.2Low79.8Confident142 Ų14266 Ų6674%0.74337%0.365SS*.THydrogen-bonded Turntrans-105.8-39.6-163.9-167.162.5000115.7A177A177-L179 PolarHBondContact O-N 2.8Å
180V58.1Low79.8Confident25 Ų2560.9 Ų60.915%0.15235%0.352CS..EExtended strand (participates in β ladder)trans-144.3100.6-179.2-164.50000111.9T176 N182 V197T176-V180 PolarHBondContact N-O 3.06Å; V180-N182 VanDerWaalsContact C-N 3.33Å; V180-N182 PolarHBondContact O-N 3.37Å; V180-V197 HydrophobicContact CB-CB 4.42Å; V180-V197 HydrophobicContact CG1-CB 3.89Å; V180-V197 HydrophobicContact CG1-CG2 4.42Å
181P58.9Low79.8Confident84 Ų8461.5 Ų61.555%0.54536%0.356SS..EExtended strand (participates in β ladder)trans-76-17.5-175.829-35000114.4R202P181-R202 PolarHBondContact O-NH1 3.17Å
182N80.4Confident79.8Confident57 Ų5765.2 Ų65.231%0.30537%0.373SS..EExtended strand (participates in β ladder)trans-106.363-172.4-64.6-7.3000112.3V180 S198 L199 R202V180-N182 VanDerWaalsContact C-N 3.33Å; V180-N182 PolarHBondContact O-N 3.37Å; N182-S198 PolarHBondContact O-N 3.46Å; N182-L199 WeakPolarHBondContact CB-O 3.36Å; N182-L199 PolarHBondContact ND2-O 3.47Å; N182-L199 VanDerWaalsContact ND2-O 3.1Å; N182-L199 PolarHBondContact O-N 3.19Å; N182-R202 HydrophobicContact CB-CB 4.32Å
183G86.6Confident79.8Confident0 Ų064.4 Ų64.40%037%0.369CS..EExtended strand (participates in β ladder)trans-99.9158.3176.200000114.3H174 F196 R202H174-G183 PolarHBondContact N-O 2.82Å; H174-G183 CarbonylContact O-C 3.58Å; H174-G183 WeakPolarHBondContact O-CA 3.17Å; H174-G183 PolarHBondContact O-N 2.8Å; G183-F196 CarbonylContact C-O 3.55Å; G183-F196 VanDerWaalsContact CA-O 3.26Å; G183-F196 WeakPolarHBondContact CA-O 3.26Å; G183-R202 WeakPolarHBondContact O-CD 3.34Å; G183-R202 WeakPolarHBondContact O-CG 3.28Å
184L91.1Very high80Confident0 Ų061.8 Ų61.80%036%0.357CS..EExtended strand (participates in β ladder)trans-144.3121.4175.4-173.878.5000108.8V171 I186 F196 L199 V205 Y206 L209V171-L184 HydrophobicContact CG1-CD1 3.64Å; V171-L184 HydrophobicContact CG1-CD2 4.21Å; V171-L184 HydrophobicContact CG1-CG 4.06Å; L184-I186 HydrophobicContact CD2-CD1 4.3Å; L184-I186 HydrophobicContact CD2-CG1 4.25Å; L184-F196 PolarHBondContact N-O 3.39Å; L184-F196 PolarHBondContact O-N 3.38Å; L184-L199 HydrophobicContact CB-CD1 3.51Å; L184-L199 HydrophobicContact CD2-CD1 4.36Å; L184-V205 HydrophobicContact CD2-CG1 4.2Å; L184-Y206 HydrophobicContact CD1-CD2 3.85Å; L184-L209 HydrophobicContact CD2-CD1 3.37Å
185A91.4Very high80.3Confident5 Ų559.8 Ų59.84%0.04135%0.349CS..EExtended strand (participates in β ladder)trans-98.5127.8173.300000109.9V171 K172 H174 Y194 V195V171-A185 CarbonylContact C-O 3.6Å; V171-A185 WeakPolarHBondContact CA-O 3.4Å; K172-A185 PolarHBondContact N-O 2.87Å; K172-A185 PolarHBondContact O-N 3.33Å; H174-A185 HydrophobicContact CB-CB 4.36Å; A185-Y194 CarbonylContact C-O 3.6Å; A185-Y194 WeakPolarHBondContact CA-O 3.42Å; A185-V195 HydrophobicContact CB-CG2 4.23Å
186I92.5Very high81Confident1 Ų152.2 Ų52.21%0.00532%0.316CS..EExtended strand (participates in β ladder)trans-111.8119.6172.1-55.8-170.6000107L148 V168 L170 V171 L184 Y194 F196 L209L148-I186 HydrophobicContact CD1-CD1 4.12Å; V168-I186 HydrophobicContact CB-CG2 4.41Å; V168-I186 HydrophobicContact CG1-CG2 3.64Å; V168-I186 HydrophobicContact CG2-CG2 3.98Å; L170-I186 WeakPolarHBondContact O-CA 3.36Å; V171-I186 HydrophobicContact CG2-CG1 4.39Å; V171-I186 HydrophobicContact CG2-CG2 4.47Å; L184-I186 HydrophobicContact CD2-CD1 4.3Å; L184-I186 HydrophobicContact CD2-CG1 4.25Å; I186-Y194 PolarHBondContact N-O 3.41Å; I186-Y194 PolarHBondContact O-N 3.34Å; I186-F196 HydrophobicContact CB-CE2 4.43Å; I186-F196 HydrophobicContact CD1-CD2 4.02Å; I186-F196 HydrophobicContact CD1-CE2 3.75Å; I186-F196 HydrophobicContact CG1-CD2 4.13Å; I186-F196 HydrophobicContact CG1-CE2 4.09Å; I186-L209 HydrophobicContact CD1-CD1 4Å
187T92.1Very high82.2Confident30 Ų3050 Ų5018%0.18430%0.302CS..EExtended strand (participates in β ladder)trans-102.1130.3173.5-52.20000109R169 L170 Q192R169-T187 PolarHBondContact N-O 3.21Å; L170-T187 PolarHBondContact N-O 3.03Å; L170-T187 VanDerWaalsContact N-O 3.12Å; L170-T187 PolarHBondContact O-N 2.85Å; T187-Q192 WeakPolarHBondContact CA-O 3.07Å
188T92.8Very high83.7Confident7 Ų749 Ų494%0.04329%0.289CS..EExtended strand (participates in β ladder)trans-94.2164-179.3-56.60000110.7T167 T190 N191 Q192 Y194T167-T188 CarbonylContact O-C 3.6Å; T167-T188 VanDerWaalsContact O-CA 3.27Å; T167-T188 WeakPolarHBondContact O-CA 3.47Å; T167-T188 WeakPolarHBondContact O-CG2 3.44Å; T188-T190 VanDerWaalsContact C-N 3.27Å; T188-T190 PolarHBondContact O-N 2.86Å; T188-N191 VanDerWaalsContact O-CA 3.3Å; T188-N191 WeakPolarHBondContact O-CA 3.45Å; T188-N191 PolarHBondContact O-N 3.08Å; T188-Q192 PolarHBondContact N-O 3.24Å; T188-Y194 WeakPolarHBondContact OG1-CE2 3.34Å
189D90Very high85.1Confident82 Ų8244.5 Ų44.544%0.43924%0.242SC..THydrogen-bonded Turntrans-54.9-38.7179.862.6-11000113.5T167 N191T167-D189 WeakPolarHBondContact CG2-OD2 3.42Å; T167-D189 PolarHBondContact O-N 3.3Å; D189-N191 PolarHBondContact O-N 3.41Å
190T90.1Very high86.3Confident59 Ų5944.9 Ų44.936%0.36224%0.244SC..THydrogen-bonded Turntrans-679.5169.947.90000114.4T188 Q192T188-T190 VanDerWaalsContact C-N 3.27Å; T188-T190 PolarHBondContact O-N 2.86Å; T190-Q192 PolarHBondContact O-N 3.08Å
191N86.8Confident87.5Confident105 Ų10546 Ų4656%0.56125%0.254SS*.  trans56.612.7-172.8-58.6-67.1000115.1R169 T188 D189R169-N191 PolarHBondContact NH1-OD1 2.76Å; T188-N191 VanDerWaalsContact O-CA 3.3Å; T188-N191 WeakPolarHBondContact O-CA 3.45Å; T188-N191 PolarHBondContact O-N 3.08Å; D189-N191 PolarHBondContact O-N 3.41Å
192Q90.4Very high88.9Confident91 Ų9143.8 Ų43.843%0.42523%0.234SC..  trans-67.8132.4171.5-64.4-174.12.700110.2T187 T188 T190 Y194T187-Q192 WeakPolarHBondContact CA-O 3.07Å; T188-Q192 PolarHBondContact N-O 3.24Å; T190-Q192 PolarHBondContact O-N 3.08Å; Q192-Y194 HydrophobicContact CB-CE2 3.97Å; Q192-Y194 PolarHBondContact OE1-OH 3.1Å
193K90.8Very high89.3Confident124 Ų12443.8 Ų43.854%0.53923%0.234SC..EExtended strand (participates in β ladder)trans-111.4112.3-176.4-176.6-170.7174.8-166.30110.4V195K193-V195 HydrophobicContact CD-CG2 4.2Å; K193-V195 HydrophobicContact CG-CG2 4.08Å
194Y91.9Very high89.3Confident28 Ų2846.1 Ų46.111%0.1125%0.251CS..EExtended strand (participates in β ladder)trans-98.1115.7175-63.2-88000109.7L131 V161 I163 A185 I186 T188 Q192L131-Y194 HydrophobicContact CD1-CD1 4.21Å; L131-Y194 HydrophobicContact CD2-CD1 4.37Å; V161-Y194 HydrophobicContact CG1-CD1 4.48Å; V161-Y194 HydrophobicContact CG1-CE1 3.86Å; I163-Y194 HydrophobicContact CD1-CD1 4.05Å; I163-Y194 HydrophobicContact CD1-CD2 3.64Å; I163-Y194 HydrophobicContact CD1-CE1 4.22Å; I163-Y194 HydrophobicContact CD1-CE2 3.82Å; I163-Y194 HydrophobicContact CD1-CG 3.75Å; I163-Y194 HydrophobicContact CG1-CE2 4.39Å; A185-Y194 CarbonylContact C-O 3.6Å; A185-Y194 WeakPolarHBondContact CA-O 3.42Å; I186-Y194 PolarHBondContact N-O 3.41Å; I186-Y194 PolarHBondContact O-N 3.34Å; T188-Y194 WeakPolarHBondContact OG1-CE2 3.34Å; Q192-Y194 HydrophobicContact CB-CE2 3.97Å; Q192-Y194 PolarHBondContact OE1-OH 3.1Å
195V91.6Very high89.2Confident11 Ų1146.1 Ų46.17%0.06725%0.251CS..EExtended strand (participates in β ladder)trans-104.3102.8179.2-175.80000109.5L132 A185 K193 V197L132-V195 HydrophobicContact CB-CB 4.19Å; L132-V195 HydrophobicContact CB-CG1 4.47Å; L132-V195 WeakPolarHBondContact CB-O 3.43Å; L132-V195 HydrophobicContact CD2-CB 4.34Å; L132-V195 HydrophobicContact CD2-CG1 4.2Å; L132-V195 PolarHBondContact N-O 3.42Å; A185-V195 HydrophobicContact CB-CG2 4.23Å; K193-V195 HydrophobicContact CD-CG2 4.2Å; K193-V195 HydrophobicContact CG-CG2 4.08Å; V195-V197 HydrophobicContact CG1-CG1 3.91Å
196F92.1Very high89.2Confident2 Ų248 Ų481%0.00926%0.257CS..EExtended strand (participates in β ladder)trans-83.1135171.4-60.4-85.8000109.3A130 L131 L141 F150 G183 L184 I186 L199A130-F196 CarbonylContact O-C 3.48Å; A130-F196 WeakPolarHBondContact O-CA 3.39Å; L131-F196 HydrophobicContact CB-CD1 4.29Å; L131-F196 HydrophobicContact CB-CE1 4.25Å; L131-F196 HydrophobicContact CD1-CD1 4.05Å; L131-F196 HydrophobicContact CD1-CE1 3.84Å; L131-F196 HydrophobicContact CD1-CE2 4.38Å; L131-F196 HydrophobicContact CD1-CG 4.43Å; L131-F196 HydrophobicContact CD1-CZ 4.02Å; L131-F196 HydrophobicContact CG-CE1 4.46Å; L141-F196 HydrophobicContact CD1-CE1 4.25Å; L141-F196 HydrophobicContact CD1-CZ 4.34Å; F150-F196 HydrophobicContact CB-CE1 4.01Å; F150-F196 HydrophobicContact CD2-CD1 4.34Å; F150-F196 AromaticContact CD2-CE1 3.9Å; F150-F196 HydrophobicContact CD2-CE1 3.9Å; F150-F196 AromaticContact CG-CE1 3.98Å; F150-F196 HydrophobicContact CG-CE1 3.98Å; G183-F196 CarbonylContact C-O 3.55Å; G183-F196 VanDerWaalsContact CA-O 3.26Å; G183-F196 WeakPolarHBondContact CA-O 3.26Å; L184-F196 PolarHBondContact N-O 3.39Å; L184-F196 PolarHBondContact O-N 3.38Å; I186-F196 HydrophobicContact CB-CE2 4.43Å; I186-F196 HydrophobicContact CD1-CD2 4.02Å; I186-F196 HydrophobicContact CD1-CE2 3.75Å; I186-F196 HydrophobicContact CG1-CD2 4.13Å; I186-F196 HydrophobicContact CG1-CE2 4.09Å; F196-L199 HydrophobicContact CB-CD1 4.21Å
197V89.9Confident89Confident4 Ų451.6 Ų51.62%0.02428%0.277CS..EExtended strand (participates in β ladder)trans-132.5172.3179.9-52.10000110.4A130 L132 L136 V180 V195 L199A130-V197 HydrophobicContact CB-CG2 3.95Å; A130-V197 PolarHBondContact N-O 3.27Å; A130-V197 PolarHBondContact O-N 3.4Å; L132-V197 HydrophobicContact CB-CG1 4.41Å; L136-V197 HydrophobicContact CD2-CG2 3.47Å; L136-V197 VanDerWaalsContact CD2-CG2 3.47Å; V180-V197 HydrophobicContact CB-CB 4.42Å; V180-V197 HydrophobicContact CG1-CB 3.89Å; V180-V197 HydrophobicContact CG1-CG2 4.42Å; V195-V197 HydrophobicContact CG1-CG1 3.91Å; V197-L199 PolarHBondContact O-N 2.85Å
198S86.3Confident88.8Confident76 Ų7650.9 Ų50.953%0.53127%0.272SS..  trans57.333.8-176.7-149.90000113.2N182 L200N182-S198 PolarHBondContact O-N 3.46Å; S198-L200 PolarHBondContact O-N 2.81Å
199L86.3Confident88.7Confident1 Ų150.6 Ų50.61%0.00527%0.27CS..  trans-75.4117.6173.8-71.7161.4000109C129 N182 L184 F196 V197 S201 R202 V205C129-L199 HydrophobicContact CB-CD2 3.52Å; C129-L199 HydrophobicContact CB-CG 4.05Å; N182-L199 WeakPolarHBondContact CB-O 3.36Å; N182-L199 PolarHBondContact ND2-O 3.47Å; N182-L199 VanDerWaalsContact ND2-O 3.1Å; N182-L199 PolarHBondContact O-N 3.19Å; L184-L199 HydrophobicContact CB-CD1 3.51Å; L184-L199 HydrophobicContact CD2-CD1 4.36Å; F196-L199 HydrophobicContact CB-CD1 4.21Å; V197-L199 PolarHBondContact O-N 2.85Å; L199-S201 PolarHBondContact O-N 2.76Å; L199-R202 HydrophobicContact CB-CB 4.39Å; L199-V205 HydrophobicContact CD2-CG1 4.44Å; L199-V205 HydrophobicContact CD2-CG2 4.27Å
200L82.9Confident88.5Confident150 Ų15052.3 Ų52.379%0.78527%0.271SS*.THydrogen-bonded Turntrans-55.8-37.3177.8-73.9163.6000112.3S198S198-L200 PolarHBondContact O-N 2.81Å
201S83.2Confident88.4Confident50 Ų5054.5 Ų54.535%0.3527%0.272SS..THydrogen-bonded Turntrans-132.451.4-172.362.90000112.5L199 D203 S204 V205L199-S201 PolarHBondContact O-N 2.76Å; S201-D203 PolarHBondContact O-N 3.33Å; S201-S204 WeakPolarHBondContact CB-OG 3.5Å; S201-S204 PolarHBondContact O-N 3.11Å; S201-S204 PolarHBondContact O-OG 3.17Å; S201-S204 PolarHBondContact OG-OG 3.17Å; S201-V205 PolarHBondContact O-N 3.15Å; S201-V205 VanDerWaalsContact O-N 3.14Å
202R88.2Confident88.4Confident36 Ų3649.9 Ų49.914%0.13625%0.247CC..Hα-helixtrans-35.9-51.4-176.4-179.6-161.264.2-136.6-8.8113.9P181 N182 G183 L199 V205 Y206P181-R202 PolarHBondContact O-NH1 3.17Å; N182-R202 HydrophobicContact CB-CB 4.32Å; G183-R202 WeakPolarHBondContact O-CD 3.34Å; G183-R202 WeakPolarHBondContact O-CG 3.28Å; L199-R202 HydrophobicContact CB-CB 4.39Å; R202-V205 PolarHBondContact O-N 3.16Å; R202-Y206 WeakPolarHBondContact O-CB 3.18Å; R202-Y206 PolarHBondContact O-N 3.3Å
203D88.1Confident88.1Confident57 Ų5745.5 Ų45.531%0.30523%0.227SC..Hα-helixtrans-68.6-42.1-173.8-59.8-60000112K173 S201 V205 Y206 D207K173-D203 WeakPolarHBondContact CD-OD1 3.39Å; K173-D203 VanDerWaalsContact CE-OD1 3.3Å; K173-D203 WeakPolarHBondContact CE-OD1 3.48Å; K173-D203 IonicContact NZ-OD1 3.22Å; K173-D203 PolarHBondContact NZ-OD1 2.91Å; S201-D203 PolarHBondContact O-N 3.33Å; D203-V205 VanDerWaalsContact C-N 3.27Å; D203-V205 PolarHBondContact O-N 2.77Å; D203-Y206 WeakPolarHBondContact O-CB 3.45Å; D203-Y206 PolarHBondContact O-N 3.38Å; D203-Y206 VanDerWaalsContact O-N 3.15Å; D203-D207 PolarHBondContact O-N 2.79Å
204S87.9Confident87.5Confident50 Ų5040.9 Ų40.935%0.3521%0.209SC..Hα-helixtrans-60.3-35.217272.70000113.3S201 V208S201-S204 WeakPolarHBondContact CB-OG 3.5Å; S201-S204 PolarHBondContact O-N 3.11Å; S201-S204 PolarHBondContact O-OG 3.17Å; S201-S204 PolarHBondContact OG-OG 3.17Å; S204-V208 WeakPolarHBondContact O-CB 3.29Å; S204-V208 VanDerWaalsContact O-CG2 3.26Å; S204-V208 WeakPolarHBondContact O-CG2 3.47Å; S204-V208 PolarHBondContact O-N 2.92Å
205V89.1Confident86.9Confident0 Ų042.7 Ų42.70%022%0.218CC..Hα-helixtrans-70.8-41.3176.9-179.50000110.2Y127 I143 L184 L199 S201 R202 D203 V208 L209Y127-V205 HydrophobicContact CD1-CG2 3.48Å; Y127-V205 VanDerWaalsContact CD1-CG2 3.48Å; Y127-V205 HydrophobicContact CD2-CG1 4.45Å; Y127-V205 HydrophobicContact CD2-CG2 4.04Å; Y127-V205 HydrophobicContact CE1-CG2 3.51Å; Y127-V205 HydrophobicContact CE2-CG2 4.07Å; Y127-V205 HydrophobicContact CG-CG2 3.76Å; I143-V205 HydrophobicContact CD1-CG1 4.4Å; L184-V205 HydrophobicContact CD2-CG1 4.2Å; L199-V205 HydrophobicContact CD2-CG1 4.44Å; L199-V205 HydrophobicContact CD2-CG2 4.27Å; S201-V205 PolarHBondContact O-N 3.15Å; S201-V205 VanDerWaalsContact O-N 3.14Å; R202-V205 PolarHBondContact O-N 3.16Å; D203-V205 VanDerWaalsContact C-N 3.27Å; D203-V205 PolarHBondContact O-N 2.77Å; V205-V208 PolarHBondContact O-N 3.32Å; V205-L209 HydrophobicContact CG1-CD1 3.9Å; V205-L209 HydrophobicContact CG1-CG 4.47Å; V205-L209 WeakPolarHBondContact O-CB 3.13Å; V205-L209 VanDerWaalsContact O-CG 3.26Å; V205-L209 WeakPolarHBondContact O-CG 3.3Å; V205-L209 PolarHBondContact O-N 3.43Å
206Y89.8Confident85.8Confident43 Ų4343.8 Ų43.817%0.16922%0.224CC..Hα-helixtrans-59.9-44.7173.2177.7-91.3000111.7V171 K173 L184 R202 D203 L209 R210V171-Y206 HydrophobicContact CB-CE2 4.45Å; V171-Y206 HydrophobicContact CG1-CD2 3.79Å; V171-Y206 HydrophobicContact CG1-CE2 4.01Å; V171-Y206 WeakPolarHBondContact O-CE2 3.25Å; K173-Y206 HydrophobicContact CD-CD2 4.42Å; K173-Y206 HydrophobicContact CD-CG 4.34Å; K173-Y206 HydrophobicContact CG-CD2 3.73Å; K173-Y206 HydrophobicContact CG-CE2 4.08Å; K173-Y206 HydrophobicContact CG-CG 4.09Å; L184-Y206 HydrophobicContact CD1-CD2 3.85Å; R202-Y206 WeakPolarHBondContact O-CB 3.18Å; R202-Y206 PolarHBondContact O-N 3.3Å; D203-Y206 WeakPolarHBondContact O-CB 3.45Å; D203-Y206 PolarHBondContact O-N 3.38Å; D203-Y206 VanDerWaalsContact O-N 3.15Å; Y206-L209 PolarHBondContact O-N 2.82Å; Y206-R210 WeakPolarHBondContact O-CB 3.44Å; Y206-R210 PolarHBondContact O-N 2.98Å
207D89.2Confident84.4Confident78 Ų7847.7 Ų47.742%0.41724%0.242SC..Hα-helixtrans-69.5-39.1-179-60.5-28.6000111.9D203 R210 R211D203-D207 PolarHBondContact O-N 2.79Å; D207-R210 PolarHBondContact O-N 2.96Å; D207-R211 WeakPolarHBondContact O-CB 3.3Å; D207-R211 PolarHBondContact O-N 3.45Å
208V88.6Confident82.6Confident15 Ų1551.1 Ų51.19%0.09126%0.263CS..Hα-helixtrans-64.2-44.4172.7166.90000111.3I143 S204 V205 R211 I212I143-V208 HydrophobicContact CG2-CG1 4.41Å; S204-V208 WeakPolarHBondContact O-CB 3.29Å; S204-V208 VanDerWaalsContact O-CG2 3.26Å; S204-V208 WeakPolarHBondContact O-CG2 3.47Å; S204-V208 PolarHBondContact O-N 2.92Å; V205-V208 PolarHBondContact O-N 3.32Å; V208-R211 PolarHBondContact O-N 2.84Å; V208-I212 HydrophobicContact CG1-CD1 3.72Å; V208-I212 WeakPolarHBondContact O-CG1 3.36Å; V208-I212 PolarHBondContact O-N 3.32Å
209L89.3Confident80.7Confident0 Ų054.8 Ų54.80%028%0.277CS..Hα-helixtrans-65-41.2176-76.2167.7000112I143 L148 V171 L184 I186 V205 Y206 R211 I212 C213I143-L209 HydrophobicContact CD1-CD2 3.98Å; I143-L209 HydrophobicContact CD1-CG 4.15Å; L148-L209 HydrophobicContact CD1-CD2 3.55Å; L148-L209 HydrophobicContact CD2-CD2 3.48Å; L148-L209 VanDerWaalsContact CD2-CD2 3.48Å; L148-L209 HydrophobicContact CG-CD2 4.17Å; V171-L209 HydrophobicContact CG1-CD1 4.47Å; L184-L209 HydrophobicContact CD2-CD1 3.37Å; I186-L209 HydrophobicContact CD1-CD1 4Å; V205-L209 HydrophobicContact CG1-CD1 3.9Å; V205-L209 HydrophobicContact CG1-CG 4.47Å; V205-L209 WeakPolarHBondContact O-CB 3.13Å; V205-L209 VanDerWaalsContact O-CG 3.26Å; V205-L209 WeakPolarHBondContact O-CG 3.3Å; V205-L209 PolarHBondContact O-N 3.43Å; Y206-L209 PolarHBondContact O-N 2.82Å; L209-R211 VanDerWaalsContact C-N 3.3Å; L209-R211 PolarHBondContact O-N 2.94Å; L209-I212 PolarHBondContact O-N 2.91Å; L209-C213 WeakPolarHBondContact O-CB 3.26Å; L209-C213 PolarHBondContact O-N 2.87Å; L209-C213 PolarHBondContact O-SG 3.19Å
210R86.9Confident78.9Confident119 Ų11956 Ų5645%0.44929%0.29SS..Hα-helixtrans-62.7-38.8176.1-172.3177-177.8-165.51.3111.4Y206 D207 Q217Y206-R210 WeakPolarHBondContact O-CB 3.44Å; Y206-R210 PolarHBondContact O-N 2.98Å; D207-R210 PolarHBondContact O-N 2.96Å; R210-Q217 HydrophobicContact CG-CG 4.19Å; R210-Q217 WeakPolarHBondContact O-CG 3.28Å; R210-Q217 PolarHBondContact O-NE2 3.22Å
211R86.9Confident76.9Confident105 Ų10558 Ų5840%0.39629%0.292SS..Hα-helixtrans-63.6-50.2174.6-177178.3-59.9139.97.3111.6L89 D207 V208 L209 Q217L89-R211 HydrophobicContact CD2-CG 3.62Å; D207-R211 WeakPolarHBondContact O-CB 3.3Å; D207-R211 PolarHBondContact O-N 3.45Å; V208-R211 PolarHBondContact O-N 2.84Å; L209-R211 VanDerWaalsContact C-N 3.3Å; L209-R211 PolarHBondContact O-N 2.94Å; R211-Q217 PolarHBondContact O-NE2 3.21Å
212I86.6Confident74.6Confident7 Ų760.1 Ų60.14%0.03631%0.307CS..Hα-helixtrans-68.2-42-176.8-68.9169.1000111.8M124 I143 R145 V165 V208 L209 T214M124-I212 HydrophobicContact CE-CD1 3.89Å; M124-I212 HydrophobicContact CE-CG1 4.12Å; M124-I212 HydrophobicContact SD-CD1 3.83Å; M124-I212 HydrophobicContact SD-CG1 4.27Å; I143-I212 HydrophobicContact CG2-CD1 3.36Å; R145-I212 WeakPolarHBondContact O-CG2 3.5Å; V165-I212 HydrophobicContact CG1-CG2 4.16Å; V165-I212 HydrophobicContact CG2-CG2 3.88Å; V208-I212 HydrophobicContact CG1-CD1 3.72Å; V208-I212 WeakPolarHBondContact O-CG1 3.36Å; V208-I212 PolarHBondContact O-N 3.32Å; L209-I212 PolarHBondContact O-N 2.91Å; I212-T214 VanDerWaalsContact C-N 3.31Å; I212-T214 PolarHBondContact O-N 2.96Å
213C84.2Confident72.3Confident0 Ų065.5 Ų65.50%034%0.338CS..  trans-8368.3177.6-57.40000111.4V165 L209 H215 L216V165-C213 HydrophobicContact CG1-CB 4.35Å; L209-C213 WeakPolarHBondContact O-CB 3.26Å; L209-C213 PolarHBondContact O-N 2.87Å; L209-C213 PolarHBondContact O-SG 3.19Å; C213-H215 PolarHBondContact O-N 2.86Å; C213-L216 HydrophobicContact CB-CB 4.27Å; C213-L216 HydrophobicContact CB-CD1 3.43Å; C213-L216 VanDerWaalsContact CB-CD1 3.43Å; C213-L216 HydrophobicContact CB-CG 3.69Å; C213-L216 WeakPolarHBondContact O-CB 3.29Å; C213-L216 PolarHBondContact O-N 2.89Å
214T79.8Confident69.8Low26 Ų2666.9 Ų66.916%0.1635%0.351CS..Hα-helixtrans-54.6-37.2-177.1570000113.1L85 L89 I212 L216 Q217 V218L85-T214 PolarHBondContact O-OG1 3.13Å; L89-T214 HydrophobicContact CD1-CG2 3.87Å; L89-T214 HydrophobicContact CG-CG2 3.84Å; I212-T214 VanDerWaalsContact C-N 3.31Å; I212-T214 PolarHBondContact O-N 2.96Å; T214-L216 VanDerWaalsContact C-N 3.26Å; T214-L216 PolarHBondContact O-N 2.89Å; T214-Q217 WeakPolarHBondContact O-CA 3.41Å; T214-Q217 VanDerWaalsContact O-CB 3.26Å; T214-Q217 WeakPolarHBondContact O-CB 3.17Å; T214-Q217 PolarHBondContact O-N 3.07Å; T214-V218 PolarHBondContact O-N 2.82Å
215H77.4Confident67.5Low66 Ų6672.4 Ų72.431%0.30638%0.376SS..Hα-helixtrans-60.6-29.5177.366.4-59.6000114V165 V168 C213 Q217 V218 N219V165-H215 PolarHBondContact O-CE1 3.28Å; V165-H215 PolarHBondContact O-NE2 2.89Å; V168-H215 PolarHBondContact O-NE2 3.5Å; C213-H215 PolarHBondContact O-N 2.86Å; H215-Q217 VanDerWaalsContact C-N 3.25Å; H215-Q217 PolarHBondContact O-N 3.38Å; H215-V218 PolarHBondContact O-N 2.95Å; H215-N219 PolarHBondContact O-N 3.22Å
216L69.8Low65Low34 Ų3481.1 Ų81.118%0.17841%0.414CS..Hα-helixtrans-69.2-25.1172.9-61.1-179000112.5V168 R169 V171 C213 T214 G220V168-L216 HydrophobicContact CG1-CD1 3.93Å; V168-L216 WeakPolarHBondContact O-CD2 3.31Å; R169-L216 WeakPolarHBondContact O-CD2 3.31Å; V171-L216 HydrophobicContact CB-CD1 4.44Å; V171-L216 HydrophobicContact CG2-CD1 3.73Å; C213-L216 HydrophobicContact CB-CB 4.27Å; C213-L216 HydrophobicContact CB-CD1 3.43Å; C213-L216 VanDerWaalsContact CB-CD1 3.43Å; C213-L216 HydrophobicContact CB-CG 3.69Å; C213-L216 WeakPolarHBondContact O-CB 3.29Å; C213-L216 PolarHBondContact O-N 2.89Å; T214-L216 VanDerWaalsContact C-N 3.26Å; T214-L216 PolarHBondContact O-N 2.89Å; L216-G220 PolarHBondContact O-N 3.36Å
217Q61.7Low62.3Low84 Ų8486 Ų8639%0.39344%0.438SS..Hα-helixtrans-76.3-40.2177.8-51.3-176.551.300110.6R210 R211 T214 H215 G220R210-Q217 HydrophobicContact CG-CG 4.19Å; R210-Q217 WeakPolarHBondContact O-CG 3.28Å; R210-Q217 PolarHBondContact O-NE2 3.22Å; R211-Q217 PolarHBondContact O-NE2 3.21Å; T214-Q217 WeakPolarHBondContact O-CA 3.41Å; T214-Q217 VanDerWaalsContact O-CB 3.26Å; T214-Q217 WeakPolarHBondContact O-CB 3.17Å; T214-Q217 PolarHBondContact O-N 3.07Å; H215-Q217 VanDerWaalsContact C-N 3.25Å; H215-Q217 PolarHBondContact O-N 3.38Å; Q217-G220 WeakPolarHBondContact O-CA 3.45Å; Q217-G220 PolarHBondContact O-N 3.07Å
218V52.4Low59.6Low76 Ų7691.8 Ų91.846%0.46146%0.46SS..Hα-helixtrans-66.3-43.1179.5-1710000111.5L85 T214 H215 G220L85-V218 HydrophobicContact CD1-CG2 4.34Å; T214-V218 PolarHBondContact O-N 2.82Å; H215-V218 PolarHBondContact O-N 2.95Å; V218-G220 PolarHBondContact O-N 2.6Å; V218-G220 VanDerWaalsContact O-N 3.16Å
219N47.8Very low57.2Low154 Ų15498.7 Ų98.782%0.82449%0.493SS*.THydrogen-bonded Turntrans-75.35.4173.2-150.3101.7000112.9H215H215-N219 PolarHBondContact O-N 3.22Å
220G48.3Very low54.3Low27 Ų27106.9 Ų106.928%0.27853%0.532SS..THydrogen-bonded Turntrans-11017.5-177.300000114.4L216 Q217 V218 S222L216-G220 PolarHBondContact O-N 3.36Å; Q217-G220 WeakPolarHBondContact O-CA 3.45Å; Q217-G220 PolarHBondContact O-N 3.07Å; V218-G220 PolarHBondContact O-N 2.6Å; V218-G220 VanDerWaalsContact O-N 3.16Å; G220-S222 PolarHBondContact O-N 3.39Å
221K40.3Very low51.9Low190 Ų190109.3 Ų109.383%0.82655%0.548SS*.SBendtrans-70.143.3171.7-69.4-175.6179.9178.60113.6
222S34.9Very low49.3Very low96 Ų96110.2 Ų110.267%0.67157%0.567SS**  trans-170.185.5147.4-169.60000108.9G220G220-S222 PolarHBondContact O-N 3.39Å
223L40.5Very low46.4Very low149 Ų149116 Ų11678%0.7860%0.603SS**  trans-128.168.6150.8-74.9179.8000106.8L225L223-L225 PolarHBondContact O-N 3.46Å
224S33.9Very low44Very low85 Ų85124.1 Ų124.159%0.59465%0.645SS**  trans-57.5133.7161.748.20000108.6K226S224-K226 VanDerWaalsContact C-N 3.27Å; S224-K226 PolarHBondContact O-N 3.23Å
225L40.6Very low41.5Very low166 Ų166128 Ų12887%0.86967%0.674SS**SBendtrans-6892.2164.6-175.1164.1000107.1L223L223-L225 PolarHBondContact O-N 3.46Å
226K36.1Very low39.4Very low184 Ų184133.1 Ų133.180%0.870%0.703SS**  trans164130168.3-92159.1-174.9-168.10104.2S224S224-K226 VanDerWaalsContact C-N 3.27Å; S224-K226 PolarHBondContact O-N 3.23Å
227Q33.4Very low37.6Very low145 Ų145138.4 Ų138.468%0.67873%0.731SS**  -143.1116.450.6-166.7158-3.700110.9E230Q227-E230 PolarHBondContact NE2-OE2 3.13Å
228F32.4Very low36.2Very low200 Ų200142 Ų14288%0.87775%0.748SS**  trans-80.4136.3149.1-115.9-105000105.8
229M38.7Very low35.1Very low159 Ų159147.1 Ų147.178%0.78376%0.764SS**  trans61.6120.3169.1-55179.46800116.8
230E27Very low34.7Very low173 Ų173145.5 Ų145.581%0.80876%0.762SS**  -167.6149.9124.4-107.1165.5132.900109.8Q227Q227-E230 PolarHBondContact NE2-OE2 3.13Å
231E37.7Very low34.2Very low170 Ų170148.5 Ų148.579%0.79478%0.784SS**  trans-83.1156.7-177.2-63.2-176.6123.700112.3V233E231-V233 PolarHBondContact O-N 2.82Å
232P32.3Very low34.6Very low123 Ų123144.4 Ų144.480%0.79978%0.777SS**  trans-81.989.6162.633.7-30.1000110.1L234P232-L234 PolarHBondContact O-N 2.96Å
233V26.3Very low34.4Very low128 Ų128146.8 Ų146.878%0.77678%0.782SS**PPolyproline II helixtrans-66.6123.1158-80.80000109.1E231E231-V233 PolarHBondContact O-N 2.82Å
234L32Very low34Very low171 Ų171149.1 Ų149.190%0.89579%0.789SS**PPolyproline II helixtrans-103.6120.8168.8-74.8177.8000109.2P232P232-L234 PolarHBondContact O-N 2.96Å
235S27.6Very low33.6Very low109 Ų109154.8 Ų154.876%0.76280%0.803SS**PPolyproline II helixtrans-87.5137.7174.9520000111.8
236L33.1Very low34.2Very low173 Ų173152 Ų15291%0.90680%0.795SS**  trans-145133.5148-15189.1000108.2
237D33.7Very low33.9Very low144 Ų144149.3 Ų149.377%0.7779%0.794SS**  trans-67.2154.7-176.5-68.9-91.7000114.2
238E31.6Very low33.8Very low161 Ų161147.9 Ų147.975%0.75280%0.795SS**  162116.4100.4-167143.6109.200115
239F30.2Very low33.8Very low183 Ų183145.4 Ų145.480%0.80379%0.791SS**  trans63.3168.1163.3-70.8-59000120.3
240P38.5Very low33.3Very low119 Ų119146.6 Ų146.677%0.77380%0.795SS**  -123.4175.8-93.529.3-5.7000116.6
241A37.1Very low33.5Very low91 Ų91147.8 Ų147.875%0.75280%0.797SS**  trans-63.6172.2178.900000114.7
242P50.2Low33.9Very low104 Ų104144.7 Ų144.768%0.67579%0.792SS**  cis-148.8-171.325.645.1-23.4000119.5
243D30.6Very low33.6Very low146 Ų146143.8 Ų143.878%0.78179%0.789SS**  trans69.3109.1154.5-57.9-30.8000122.7
244E30.9Very low33.7Very low198 Ų198143.5 Ų143.593%0.92579%0.787SS**  175.2152.9108.7-92.1-167.7119.800112.8
245F25.8Very low33.9Very low203 Ų203143.3 Ų143.389%0.8979%0.786SS**  trans-112.6-178.8178.6-81.5-95.2000109.8
246P52.7Low33.9Very low107 Ų107146.8 Ų146.870%0.69579%0.787SS**  cis-128.9-143.8-49.133.9-13.6000111.3
247V30Very low33.6Very low129 Ų129151.2 Ų151.278%0.78279%0.792SS**  trans87.5137.2162-176.80000116.6
248V32.6Very low33.4Very low115 Ų115153.4 Ų153.470%0.69779%0.79SS**  cis-167161.1-21.51240000109.1
249D30.9Very low33.4Very low147 Ų147157 Ų15779%0.78680%0.796SS**  trans43.7135.5163.4-85.9-65000123
250E29.2Very low33.4Very low185 Ų185156.6 Ų156.686%0.86479%0.794SS**  172.4134.6100.1-165.9166.1165.400111.9
251F31.2Very low33.4Very low198 Ų198157 Ų15787%0.86880%0.797SS**  trans-138.6161.7172.2-99.1-73.4000107.4
252P45.1Very low33.1Very low105 Ų105158.1 Ų158.168%0.68280%0.799SS**  cis-133.9-175.2-10.237.6-19.2000113.8
253S27.1Very low32.2Very low104 Ų104159.7 Ų159.773%0.72781%0.807SS**  141.3131.9121.672.10000118.4
254V27.2Very low32Very low121 Ų121159.7 Ų159.773%0.73381%0.812SS**  trans73.2100.3131172.70000120.6
255L35.9Very low31.8Very low168 Ų168154.7 Ų154.788%0.8880%0.799SS**  trans78153.8137.5-61.3175.2000122.4
256K28.9Very low31.9Very low182 Ų182151.4 Ų151.479%0.79179%0.794SS**  trans106.765.7147.9-158-179.3179.2179.90118.7R258K256-R258 HydrophobicContact CG-CB 4.32Å; K256-R258 PolarHBondContact O-N 3.12Å
257W26.8Very low30.7Very low265 Ų265150.9 Ų150.9100%1.00479%0.794SS**  trans-70.5111.1159.6-71.2105.2000111.6
258R29.8Very low30.6Very low191 Ų191152.8 Ų152.872%0.72180%0.799SS**  trans-155.674.9-174.7-128.8-74.9-146.2-89.6-2.2114.1K256K256-R258 HydrophobicContact CG-CB 4.32Å; K256-R258 PolarHBondContact O-N 3.12Å
259R30.8Very low30.5Very low236 Ų236153.2 Ų153.289%0.89181%0.807SS**  trans-164.8123154.1-133.4164.4-76175-4.4107.5
260K29.3Very low31Very low174 Ų174153.4 Ų153.476%0.75781%0.807SS**  73.213551.2-76.8-171.3171.2-1730114.1
261P40.3Very low31.4Very low128 Ų128150.4 Ų150.483%0.83180%0.804SS**  trans-87.4172.9-169.138.3-38.6000112.9
262S30.1Very low31.3Very low115 Ų115147.7 Ų147.780%0.80480%0.798SS**  trans-138.6127.6171.354.20000112.3
263V30.7Very low30.8Very low137 Ų137150.5 Ų150.583%0.8381%0.806SS**  trans-116.5143.8160.9174.40000106
264V26.6Very low31.1Very low146 Ų146153.6 Ų153.689%0.88581%0.814SS**  trans-177.4164.5147.31410000109.7
265S27Very low31.1Very low93 Ų93151 Ų15165%0.6581%0.812SS**  trans-126.2177.3-148.6-45.50000115.4
266V28.7Very low30.7Very low133 Ų133148.5 Ų148.581%0.80681%0.808SS**  trans70.9138.8161.4-129.30000115.4
267S27Very low30.7Very low97 Ų97145.1 Ų145.168%0.67881%0.807SS**  cis-162.3153.137.2-44.60000117.3
268L28.4Very low30.9Very low169 Ų169138.7 Ų138.789%0.88580%0.798SS**  trans40.9117.8139.9-69163.5000123.1
269S30.2Very low30.9Very low124 Ų124135.4 Ų135.487%0.86780%0.804SS**  -168.1142.8125.4530000112.7
270L40.8Very low30.8Very low150 Ų150128 Ų12879%0.78580%0.801SS**  trans-101.2167.4173.8-91.3170.8000111
271P37.8Very low31Very low123 Ų123128.7 Ų128.780%0.79981%0.812SS**  -133.9144.8128.536.5-26.7000114.5
272D28.6Very low30.6Very low141 Ų141126 Ų12675%0.75481%0.807SS**  trans-89.6147.8170.4-71.1-58.2000112.2
273L34Very low30.5Very low163 Ų163125.4 Ų125.485%0.85381%0.809SS**  trans-153.6112.8145-83.7-169.7000112
274L33.7Very low30.6Very low170 Ų170123 Ų12389%0.8980%0.804SS**  trans29.7136.7141.6-49.3175.2000120.3
275G26.9Very low30.7Very low66 Ų66123.8 Ų123.868%0.6880%0.803SS**  cis171.9-158.35.100000113.4
276S27.3Very low31.1Very low116 Ų116125.4 Ų125.481%0.81181%0.809SS**  trans74.579.9173.679.10000121.3
277S30.8Very low31.7Very low110 Ų110124.5 Ų124.577%0.76981%0.806SS**  55142111.5-53.60000125.6
278T29.2Very low31.7Very low131 Ų131129.7 Ų129.780%0.80482%0.817SS**  trans85.5105.8144.149.50000123.7
279S30Very low31.6Very low121 Ų121130.8 Ų130.885%0.84682%0.815SS**  65.4130.3127.464.30000123.4
280G29.8Very low31.3Very low81 Ų81130.2 Ų130.284%0.83581%0.806SS**  trans168.2111.7156.600000114.1
281L34.3Very low30.6Very low189 Ų189131.9 Ų131.999%0.9981%0.81SS**  trans-114.8151.7172.2-84.9166.8000110.3
282G30Very low31.4Very low71 Ų71131.2 Ų131.273%0.73281%0.805SS**  trans135.8107.4173.600000110.7
283A29.8Very low31.6Very low102 Ų102130.4 Ų130.484%0.84381%0.808SS**  cis95.7116.64100000114
284A31.8Very low31.3Very low88 Ų88130 Ų13073%0.72781%0.806SS**  trans87.6141.8145.100000122.5
285D29.2Very low31Very low161 Ų161130.3 Ų130.386%0.86180%0.803SS**  trans86.4115.8146.6-56.4-25000124.3
286T35.3Very low31Very low127 Ų127134.6 Ų134.678%0.77981%0.805SS**  trans-81.6156.9158.258.60000110.8
287P41.2Very low31Very low115 Ų115140 Ų14075%0.74781%0.808SS**  -156.9152.890.637-16.6000119.1
288F26.4Very low30.9Very low206 Ų206138.2 Ų138.290%0.90481%0.806SS**  trans34131.2147.4-77.8-92.3000123.9
289K25.8Very low30.9Very low191 Ų191140.6 Ų140.683%0.8381%0.813SS**  156.4113.3104.7-171.3171.4-178.9-176.60117.2
290T25.7Very low30.9Very low112 Ų112144.2 Ų144.269%0.68782%0.817SS**  trans48.9122.1133.8-44.60000125.5
291E25.9Very low30.9Very low185 Ų185146.4 Ų146.486%0.86481%0.814SS**  trans89.1155.5147.7-81-167.4167.600124.2
292P52.9Low30.6Very low109 Ų109144.4 Ų144.471%0.70880%0.804SS**  trans-109.7176.1-149.445.6-39.5000115.8
293P33.3Very low31Very low125 Ų125152.5 Ų152.581%0.81281%0.813SS**  -153.4179.395.940.5-20.9000117.8
294L27.6Very low31Very low153 Ų153149.8 Ų149.880%0.80180%0.795SS**  trans-15.5153.6167.6-82.1155.4000124.5
295E27.5Very low31.1Very low178 Ų178153.2 Ų153.283%0.83280%0.8SS**  trans68.2146.3159.9-66.4177.312400117.5
296E26.7Very low31.3Very low156 Ų156153 Ų15373%0.72980%0.798SS**  cis-145.4166.920.5-148.5-163.9144.700113.9
297R27.8Very low31.2Very low230 Ų230152.4 Ų152.487%0.86880%0.799SS**  trans-20.3142.7174.5-65.9166.5174-176.1-1.4121.4
298G28.6Very low30.9Very low71 Ų71155 Ų15573%0.73280%0.801SS**  trans174.8111.8149.300000116.4
299L30.4Very low31.5Very low181 Ų181150.5 Ų150.595%0.94879%0.793SS**  trans53.284.5168-77.5123.8000118.4
300Q28Very low32.6Very low198 Ų198147.9 Ų147.993%0.92579%0.793SS**  trans-78.7139152-75.6-172.112.200110.7D302Q300-D302 PolarHBondContact O-N 2.89Å
301T29.8Very low33.6Very low126 Ų126145.4 Ų145.477%0.77378%0.783SS**  trans-77.4110.2172-62.60000109.3R303T301-R303 HydrophobicContact CG2-CG 4.39Å; T301-R303 PolarHBondContact O-N 3.23Å
302D28.8Very low34.7Very low147 Ų147144 Ų14479%0.78678%0.777SS**  trans-70.7103.4172-174.614.2000110.5Q300 G304Q300-D302 PolarHBondContact O-N 2.89Å; D302-G304 PolarHBondContact OD1-N 3.45Å
303R38Very low34.5Very low242 Ų242141.7 Ų141.791%0.91376%0.758SS**  trans-118.556.6162.8-88.5-169.5165.8-171.9-2.5109.8T301T301-R303 HydrophobicContact CG2-CG 4.39Å; T301-R303 PolarHBondContact O-N 3.23Å
304G29.9Very low35.7Very low45 Ų45137.3 Ų137.346%0.46474%0.736SS.*  trans-97139169.500000114D302D302-G304 PolarHBondContact OD1-N 3.45Å
305L33.8Very low37.6Very low159 Ų159136.9 Ų136.983%0.83273%0.73SS**SBendtrans54.789.1155.2-82.3108.3000119.7
306L34.3Very low39.3Very low156 Ų156133.1 Ų133.182%0.81771%0.714SS**  168.994.590.4-88.5-178.4000111
307S33.6Very low41.5Very low115 Ų115127.8 Ų127.880%0.80469%0.688SS**  trans-134.1100.8157.9-176.10000107.2
308E33.8Very low43.9Very low169 Ų169124.2 Ų124.279%0.7968%0.676SS**  trans-60.2137.7171.4-77.4-173.493.800109.9V310E308-V310 PolarHBondContact O-N 3.27Å; E308-V310 VanDerWaalsContact O-N 3.13Å
309P39.6Very low46.5Very low112 Ų112125.9 Ų125.973%0.72767%0.665SS**  trans-75.4106.5-176.529.6-33.6000110.8A311P309-A311 HydrophobicContact CB-CB 4.18Å; P309-A311 PolarHBondContact O-N 2.81Å
310V48.2Very low49.1Very low137 Ų137119.5 Ų119.583%0.8363%0.631SS**THydrogen-bonded Turntrans-71.670.7164.7-174.70000108.8E308E308-V310 PolarHBondContact O-N 3.27Å; E308-V310 VanDerWaalsContact O-N 3.13Å
311A46.9Very low51.7Low60 Ų60115.2 Ų115.250%0.49661%0.614SS.*THydrogen-bonded Turntrans-118.6-28.7-171.400000114.2P309 L313 G314P309-A311 HydrophobicContact CB-CB 4.18Å; P309-A311 PolarHBondContact O-N 2.81Å; A311-L313 VanDerWaalsContact C-N 3.34Å; A311-L313 PolarHBondContact O-N 3.47Å; A311-G314 PolarHBondContact O-N 3.14Å
312E48.7Very low54.6Low156 Ų156114.5 Ų114.573%0.72960%0.6SS**THydrogen-bonded Turntrans-76.5-13.2-171.4-65.2-151144.200115.7K157K157-E312 PolarHBondContact NZ-O 3.14Å
313L50Low57.6Low59 Ų59113 Ų11331%0.30959%0.587SS.*THydrogen-bonded Turntrans-83.6-42.7174.2-161.965000111.1K157 I159 A311 Q315 E317K157-L313 HydrophobicContact CD-CD1 4.18Å; I159-L313 HydrophobicContact CD1-CD1 4.24Å; I159-L313 HydrophobicContact CD1-CD2 4.26Å; A311-L313 VanDerWaalsContact C-N 3.34Å; A311-L313 PolarHBondContact O-N 3.47Å; L313-Q315 VanDerWaalsContact C-N 3.32Å; L313-Q315 PolarHBondContact O-N 3.33Å; L313-E317 WeakPolarHBondContact CG-OE1 3.43Å
314G58.4Low60.2Low34 Ų34106.7 Ų106.735%0.35157%0.567SS.*Hα-helixtrans-64.3-26-173.800000115.3A311 M316 E317 Y318A311-G314 PolarHBondContact O-N 3.14Å; G314-M316 PolarHBondContact O-N 2.8Å; G314-E317 PolarHBondContact O-N 3.36Å; G314-Y318 WeakPolarHBondContact O-CB 3.45Å; G314-Y318 PolarHBondContact O-N 2.96Å
315Q66.1Low63.2Low144 Ų144107.8 Ų107.867%0.67356%0.564SS**Hα-helixtrans-67-39.2-176.7-171.3172-11.600113.1L313 Q319L313-Q315 VanDerWaalsContact C-N 3.32Å; L313-Q315 PolarHBondContact O-N 3.33Å; Q315-Q319 WeakPolarHBondContact O-CG 3.26Å; Q315-Q319 PolarHBondContact O-N 3.34Å
316M64.5Low66.2Low99 Ų99104.9 Ų104.949%0.48855%0.549SS..Hα-helixtrans-78.8-34.4176.3-66.6-16875.800111.9K157 G314 Y318 Q319 L320K157-M316 VanDerWaalsContact CE-SD 3.52Å; G314-M316 PolarHBondContact O-N 2.8Å; M316-Y318 VanDerWaalsContact C-N 3.34Å; M316-Q319 PolarHBondContact O-N 3.42Å; M316-L320 WeakPolarHBondContact O-CB 3.22Å; M316-L320 PolarHBondContact O-N 2.81Å
317E72.2Confident69.1Low43 Ų43101 Ų10120%0.20153%0.529CS..Hα-helixtrans-62.4-41.2173.3-65.9173.6162.300111.3I135 L154 L313 G314 L320 L321I135-E317 WeakPolarHBondContact CD1-OE1 3.27Å; L154-E317 VanDerWaalsContact CD2-OE1 3.28Å; L154-E317 WeakPolarHBondContact CD2-OE1 3.2Å; L313-E317 WeakPolarHBondContact CG-OE1 3.43Å; G314-E317 PolarHBondContact O-N 3.36Å; E317-L320 PolarHBondContact O-N 3.43Å; E317-L321 VanDerWaalsContact O-CB 3.26Å; E317-L321 WeakPolarHBondContact O-CB 3.29Å; E317-L321 PolarHBondContact O-N 2.88Å
318Y79.2Confident72.1Confident156 Ų156100.3 Ų100.361%0.61252%0.515SS*.Hα-helixtrans-65.6-41.1174.9-174.8-100.5000112.4G314 M316 L320 L321 K322G314-Y318 WeakPolarHBondContact O-CB 3.45Å; G314-Y318 PolarHBondContact O-N 2.96Å; M316-Y318 VanDerWaalsContact C-N 3.34Å; Y318-L320 VanDerWaalsContact C-N 3.34Å; Y318-L320 PolarHBondContact O-N 3.48Å; Y318-L321 PolarHBondContact O-N 2.82Å; Y318-K322 WeakPolarHBondContact O-CB 3.41Å; Y318-K322 PolarHBondContact O-N 3.11Å
319Q82.9Confident75.1Confident105 Ų10596.2 Ų96.249%0.49150%0.497SS..Hα-helixtrans-64.7-38.8175.1-69-68300112Q315 M316 F323Q315-Q319 WeakPolarHBondContact O-CG 3.26Å; Q315-Q319 PolarHBondContact O-N 3.34Å; M316-Q319 PolarHBondContact O-N 3.42Å; Q319-F323 WeakPolarHBondContact O-CB 3.44Å; Q319-F323 PolarHBondContact O-N 3.44Å
320L83.3Confident77.8Confident47 Ų4796.3 Ų96.325%0.24649%0.491CS..Hα-helixtrans-69.9-42.7175.4-17382.6000112.1F155 M316 E317 Y318 K322 F323 F324F155-L320 HydrophobicContact CD1-CD1 4.44Å; F155-L320 HydrophobicContact CD1-CD2 3.81Å; F155-L320 HydrophobicContact CD2-CD2 3.98Å; F155-L320 HydrophobicContact CE1-CD1 4.35Å; F155-L320 HydrophobicContact CE1-CD2 3.23Å; F155-L320 HydrophobicContact CE1-CG 4.41Å; F155-L320 HydrophobicContact CE2-CD2 3.42Å; F155-L320 VanDerWaalsContact CE2-CD2 3.42Å; F155-L320 HydrophobicContact CG-CD2 4.19Å; F155-L320 HydrophobicContact CZ-CD2 3.04Å; F155-L320 HydrophobicContact CZ-CG 4.48Å; M316-L320 WeakPolarHBondContact O-CB 3.22Å; M316-L320 PolarHBondContact O-N 2.81Å; E317-L320 PolarHBondContact O-N 3.43Å; Y318-L320 VanDerWaalsContact C-N 3.34Å; Y318-L320 PolarHBondContact O-N 3.48Å; L320-K322 VanDerWaalsContact C-N 3.28Å; L320-K322 PolarHBondContact O-N 3.23Å; L320-F323 CarbonylContact O-C 3.59Å; L320-F323 WeakPolarHBondContact O-CB 3.47Å; L320-F323 PolarHBondContact O-N 3.45Å; L320-F323 VanDerWaalsContact O-N 3.11Å; L320-F324 HydrophobicContact CD1-CD2 4.41Å; L320-F324 HydrophobicContact CD1-CE2 4.03Å; L320-F324 HydrophobicContact CD2-CD2 4.23Å; L320-F324 HydrophobicContact CD2-CE2 3.81Å; L320-F324 HydrophobicContact CG-CD2 3.82Å; L320-F324 HydrophobicContact CG-CE2 3.71Å; L320-F324 WeakPolarHBondContact O-CD2 3.3Å; L320-F324 PolarHBondContact O-N 3.37Å
321L84.3Confident80.1Confident108 Ų10895.4 Ų95.457%0.56548%0.481SS*.Hα-helixtrans-62.3-38.7175.4-178.363.1000111E317 Y318 T325E317-L321 VanDerWaalsContact O-CB 3.26Å; E317-L321 WeakPolarHBondContact O-CB 3.29Å; E317-L321 PolarHBondContact O-N 2.88Å; Y318-L321 PolarHBondContact O-N 2.82Å; L321-T325 VanDerWaalsContact O-CB 3.3Å; L321-T325 WeakPolarHBondContact O-CB 3.2Å; L321-T325 PolarHBondContact O-N 3.23Å; L321-T325 PolarHBondContact O-OG1 2.9Å
322K89Confident82.5Confident111 Ų11197 Ų9748%0.48348%0.48SS..Hα-helixtrans-61.5-45170.4-178.8-177.8177-174.50111.2Y318 L320 T325 L326Y318-K322 WeakPolarHBondContact O-CB 3.41Å; Y318-K322 PolarHBondContact O-N 3.11Å; L320-K322 VanDerWaalsContact C-N 3.28Å; L320-K322 PolarHBondContact O-N 3.23Å; K322-T325 PolarHBondContact O-N 3.3Å; K322-L326 HydrophobicContact CG-CD1 4.35Å; K322-L326 WeakPolarHBondContact O-CB 3.32Å; K322-L326 VanDerWaalsContact O-CG 3.3Å; K322-L326 WeakPolarHBondContact O-CG 3.28Å; K322-L326 PolarHBondContact O-N 2.94Å
323F93.6Very high84.8Confident117 Ų11794.8 Ų94.851%0.51347%0.473SS..Hα-helixtrans-62.7-46.2176.3-179.4-103.4000112.5Q319 L320 T325 L326 L327Q319-F323 WeakPolarHBondContact O-CB 3.44Å; Q319-F323 PolarHBondContact O-N 3.44Å; L320-F323 CarbonylContact O-C 3.59Å; L320-F323 WeakPolarHBondContact O-CB 3.47Å; L320-F323 PolarHBondContact O-N 3.45Å; L320-F323 VanDerWaalsContact O-N 3.11Å; F323-T325 PolarHBondContact O-N 2.73Å; F323-L326 PolarHBondContact O-N 2.86Å; F323-L327 HydrophobicContact CD1-CD1 3.97Å; F323-L327 HydrophobicContact CD1-CG 4.42Å; F323-L327 HydrophobicContact CE1-CD1 3.42Å; F323-L327 VanDerWaalsContact CE1-CD1 3.42Å; F323-L327 HydrophobicContact CE1-CG 4.06Å; F323-L327 HydrophobicContact CZ-CD1 3.84Å; F323-L327 HydrophobicContact CZ-CD2 4.29Å; F323-L327 HydrophobicContact CZ-CG 4.11Å; F323-L327 WeakPolarHBondContact O-CG 3.5Å; F323-L327 PolarHBondContact O-N 3.29Å
324F91.9Very high87Confident109 Ų10994.8 Ų94.848%0.47848%0.478SS..Hα-helixtrans-62.1-42.1173.9-83.6-62.7000112.4L320 L326 L327 I328L320-F324 HydrophobicContact CD1-CD2 4.41Å; L320-F324 HydrophobicContact CD1-CE2 4.03Å; L320-F324 HydrophobicContact CD2-CD2 4.23Å; L320-F324 HydrophobicContact CD2-CE2 3.81Å; L320-F324 HydrophobicContact CG-CD2 3.82Å; L320-F324 HydrophobicContact CG-CE2 3.71Å; L320-F324 WeakPolarHBondContact O-CD2 3.3Å; L320-F324 PolarHBondContact O-N 3.37Å; F324-L326 VanDerWaalsContact C-N 3.33Å; F324-L326 PolarHBondContact O-N 2.92Å; F324-L327 PolarHBondContact O-N 2.84Å; F324-I328 VanDerWaalsContact O-CG1 3.29Å; F324-I328 WeakPolarHBondContact O-CG1 3.37Å; F324-I328 PolarHBondContact O-N 3.5Å
325T93Very high88.9Confident67 Ų6796.7 Ų96.741%0.41149%0.486SS..Hα-helixtrans-59.5-43.8174.6-58.70000111L321 K322 F323 I328 I329L321-T325 VanDerWaalsContact O-CB 3.3Å; L321-T325 WeakPolarHBondContact O-CB 3.2Å; L321-T325 PolarHBondContact O-N 3.23Å; L321-T325 PolarHBondContact O-OG1 2.9Å; K322-T325 PolarHBondContact O-N 3.3Å; F323-T325 PolarHBondContact O-N 2.73Å; T325-I328 PolarHBondContact O-N 3.38Å; T325-I329 HydrophobicContact CG2-CD1 3.97Å; T325-I329 VanDerWaalsContact O-CG1 3.28Å; T325-I329 WeakPolarHBondContact O-CG1 3.28Å; T325-I329 PolarHBondContact O-N 2.87Å
326L96.1Very high90.3Very high98 Ų9893.4 Ų93.451%0.51348%0.478SS..Hα-helixtrans-64.4-39.8175.3-71.9172.2000112.6K322 F323 F324 I329 L330K322-L326 HydrophobicContact CG-CD1 4.35Å; K322-L326 WeakPolarHBondContact O-CB 3.32Å; K322-L326 VanDerWaalsContact O-CG 3.3Å; K322-L326 WeakPolarHBondContact O-CG 3.28Å; K322-L326 PolarHBondContact O-N 2.94Å; F323-L326 PolarHBondContact O-N 2.86Å; F324-L326 VanDerWaalsContact C-N 3.33Å; F324-L326 PolarHBondContact O-N 2.92Å; L326-I329 PolarHBondContact O-N 3.25Å; L326-L330 WeakPolarHBondContact O-CB 3.29Å; L326-L330 PolarHBondContact O-N 3.39Å
327L95.4Very high91.9Very high75 Ų7594.9 Ų94.939%0.39348%0.479SS..Hα-helixtrans-64.2-40.3174.1-74.5-178.8000112.4F323 F324 L330 L331F323-L327 HydrophobicContact CD1-CD1 3.97Å; F323-L327 HydrophobicContact CD1-CG 4.42Å; F323-L327 HydrophobicContact CE1-CD1 3.42Å; F323-L327 VanDerWaalsContact CE1-CD1 3.42Å; F323-L327 HydrophobicContact CE1-CG 4.06Å; F323-L327 HydrophobicContact CZ-CD1 3.84Å; F323-L327 HydrophobicContact CZ-CD2 4.29Å; F323-L327 HydrophobicContact CZ-CG 4.11Å; F323-L327 WeakPolarHBondContact O-CG 3.5Å; F323-L327 PolarHBondContact O-N 3.29Å; F324-L327 PolarHBondContact O-N 2.84Å; L327-L330 PolarHBondContact O-N 3.33Å; L327-L331 VanDerWaalsContact O-CB 3.29Å; L327-L331 WeakPolarHBondContact O-CB 3.3Å; L327-L331 PolarHBondContact O-N 2.89Å
328I96.2Very high93Very high100 Ų10098 Ų9851%0.51350%0.497SS..Hα-helixtrans-64.3-44.2175.7-69163.5000110.2F324 T325 L331 I332F324-I328 VanDerWaalsContact O-CG1 3.29Å; F324-I328 WeakPolarHBondContact O-CG1 3.37Å; F324-I328 PolarHBondContact O-N 3.5Å; T325-I328 PolarHBondContact O-N 3.38Å; I328-L331 PolarHBondContact O-N 2.9Å; I328-I332 HydrophobicContact CG2-CD1 3.8Å; I328-I332 HydrophobicContact CG2-CG1 4.49Å; I328-I332 VanDerWaalsContact O-CG1 3.28Å; I328-I332 WeakPolarHBondContact O-CG1 3.49Å; I328-I332 PolarHBondContact O-N 2.95Å
329I96.8Very high93.7Very high83 Ų8393.1 Ų93.143%0.42649%0.489SS..Hα-helixtrans-60.7-46.1174.9-68.8164000110.8T325 L326 L331 I332 L333T325-I329 HydrophobicContact CG2-CD1 3.97Å; T325-I329 VanDerWaalsContact O-CG1 3.28Å; T325-I329 WeakPolarHBondContact O-CG1 3.28Å; T325-I329 PolarHBondContact O-N 2.87Å; L326-I329 PolarHBondContact O-N 3.25Å; I329-L331 VanDerWaalsContact C-N 3.32Å; I329-L331 PolarHBondContact O-N 3.49Å; I329-I332 PolarHBondContact O-N 3.37Å; I329-L333 HydrophobicContact CG2-CD1 3.9Å; I329-L333 HydrophobicContact CG2-CG 4.35Å; I329-L333 WeakPolarHBondContact O-CB 3.48Å; I329-L333 VanDerWaalsContact O-CG 3.3Å; I329-L333 WeakPolarHBondContact O-CG 3.29Å; I329-L333 PolarHBondContact O-N 3.47Å
330L96.4Very high94.4Very high114 Ų11495 Ų9560%0.59750%0.495SS*.Hα-helixtrans-60.4-41.2177.2-171.976.3000111.8L326 L327 L333 S334L326-L330 WeakPolarHBondContact O-CB 3.29Å; L326-L330 PolarHBondContact O-N 3.39Å; L327-L330 PolarHBondContact O-N 3.33Å; L330-L333 PolarHBondContact O-N 2.86Å; L330-S334 WeakPolarHBondContact O-CB 3.42Å; L330-S334 PolarHBondContact O-N 2.96Å; L330-S334 PolarHBondContact O-OG 3.42Å
331L96.4Very high94.9Very high119 Ų11998.7 Ų98.762%0.62351%0.506SS*.Hα-helixtrans-68.4-38.9178.2-173.2128.2000112.2L327 I328 I329 S334 S335L327-L331 VanDerWaalsContact O-CB 3.29Å; L327-L331 WeakPolarHBondContact O-CB 3.3Å; L327-L331 PolarHBondContact O-N 2.89Å; I328-L331 PolarHBondContact O-N 2.9Å; I329-L331 VanDerWaalsContact C-N 3.32Å; I329-L331 PolarHBondContact O-N 3.49Å; L331-S334 PolarHBondContact O-OG 2.9Å; L331-S335 VanDerWaalsContact O-CB 3.29Å; L331-S335 WeakPolarHBondContact O-CB 3.46Å; L331-S335 PolarHBondContact O-N 2.88Å
332I97.1Very high95.4Very high92 Ų9297.2 Ų97.247%0.47250%0.501SS..Hα-helixtrans-64.8-47.3172.6-68.1164.7000110I328 I329 S334 S335 C336I328-I332 HydrophobicContact CG2-CD1 3.8Å; I328-I332 HydrophobicContact CG2-CG1 4.49Å; I328-I332 VanDerWaalsContact O-CG1 3.28Å; I328-I332 WeakPolarHBondContact O-CG1 3.49Å; I328-I332 PolarHBondContact O-N 2.95Å; I329-I332 PolarHBondContact O-N 3.37Å; I332-S334 VanDerWaalsContact C-N 3.35Å; I332-S334 PolarHBondContact O-N 3.26Å; I332-S335 PolarHBondContact O-N 3.02Å; I332-C336 WeakPolarHBondContact O-CB 3.44Å; I332-C336 PolarHBondContact O-N 3.43Å; I332-C336 PolarHBondContact O-SG 3.42Å
333L97.1Very high95.6Very high110 Ų11095.1 Ų95.158%0.57650%0.5SS*.Hα-helixtrans-61.7-40.1178.3-71.7173.3000112.4I329 L330 C336 Y337I329-L333 HydrophobicContact CG2-CD1 3.9Å; I329-L333 HydrophobicContact CG2-CG 4.35Å; I329-L333 WeakPolarHBondContact O-CB 3.48Å; I329-L333 VanDerWaalsContact O-CG 3.3Å; I329-L333 WeakPolarHBondContact O-CG 3.29Å; I329-L333 PolarHBondContact O-N 3.47Å; L330-L333 PolarHBondContact O-N 2.86Å; L333-C336 PolarHBondContact O-N 2.87Å; L333-Y337 WeakPolarHBondContact O-CB 3.36Å; L333-Y337 PolarHBondContact O-N 2.89Å
334S97Very high95.4Very high59 Ų5991.1 Ų91.141%0.41349%0.486SS..Hα-helixtrans-69.1-38.7176.171.20000112.1L330 L331 I332 Y337 L338L330-S334 WeakPolarHBondContact O-CB 3.42Å; L330-S334 PolarHBondContact O-N 2.96Å; L330-S334 PolarHBondContact O-OG 3.42Å; L331-S334 PolarHBondContact O-OG 2.9Å; I332-S334 VanDerWaalsContact C-N 3.35Å; I332-S334 PolarHBondContact O-N 3.26Å; S334-Y337 PolarHBondContact O-N 3.27Å; S334-L338 WeakPolarHBondContact O-CG 3.36Å; S334-L338 PolarHBondContact O-N 3.42Å
335S97.6Very high95.4Very high74 Ų7490.2 Ų90.252%0.51749%0.486SS..Hα-helixtrans-61.7-45.5172.7-174.80000111.8L331 I332 L338 A339L331-S335 VanDerWaalsContact O-CB 3.29Å; L331-S335 WeakPolarHBondContact O-CB 3.46Å; L331-S335 PolarHBondContact O-N 2.88Å; I332-S335 PolarHBondContact O-N 3.02Å; S335-L338 PolarHBondContact O-N 3.34Å; S335-A339 WeakPolarHBondContact O-CB 3.3Å; S335-A339 PolarHBondContact O-N 3.27Å
336C97Very high95.2Very high75 Ų7592.7 Ų92.751%0.50749%0.493SS..Hα-helixtrans-62.9-40.8174.5-69.30000112.4I332 L333 A339 F340I332-C336 WeakPolarHBondContact O-CB 3.44Å; I332-C336 PolarHBondContact O-N 3.43Å; I332-C336 PolarHBondContact O-SG 3.42Å; L333-C336 PolarHBondContact O-N 2.87Å; C336-A339 PolarHBondContact O-N 3.43Å; C336-F340 WeakPolarHBondContact O-CB 3.35Å; C336-F340 PolarHBondContact O-N 3.33Å
337Y96.7Very high94.7Very high130 Ų13093.9 Ų93.951%0.5150%0.496SS..Hα-helixtrans-63.7-44176.3177.5-95.1000111.9L333 S334 F340 R341L333-Y337 WeakPolarHBondContact O-CB 3.36Å; L333-Y337 PolarHBondContact O-N 2.89Å; S334-Y337 PolarHBondContact O-N 3.27Å; Y337-F340 PolarHBondContact O-N 2.89Å; Y337-R341 HydrophobicContact CD1-CG 4.11Å; Y337-R341 HydrophobicContact CE1-CG 3.64Å; Y337-R341 HydrophobicContact CE2-CG 4.23Å; Y337-R341 WeakPolarHBondContact O-CB 3.33Å; Y337-R341 WeakPolarHBondContact O-CG 3.42Å; Y337-R341 PolarHBondContact O-N 3.3Å; Y337-R341 PolarHBondContact OH-NE 3.47Å; Y337-R341 PolarHBondContact OH-NH2 2.95Å
338L95.1Very high94.3Very high109 Ų10995.8 Ų95.857%0.57150%0.503SS*.Hα-helixtrans-63.1-44.5175.9-71.5172.8000111.3S334 S335 R341 V342S334-L338 WeakPolarHBondContact O-CG 3.36Å; S334-L338 PolarHBondContact O-N 3.42Å; S335-L338 PolarHBondContact O-N 3.34Å; L338-R341 PolarHBondContact O-N 3.43Å; L338-V342 WeakPolarHBondContact O-CG2 3.38Å; L338-V342 PolarHBondContact O-N 2.91Å
339A95.4Very high93.6Very high54 Ų5496.5 Ų96.545%0.44651%0.507SS..Hα-helixtrans-60.2-47.2175.500000112S335 C336 R341 V342 C343S335-A339 WeakPolarHBondContact O-CB 3.3Å; S335-A339 PolarHBondContact O-N 3.27Å; C336-A339 PolarHBondContact O-N 3.43Å; A339-R341 VanDerWaalsContact C-N 3.33Å; A339-R341 PolarHBondContact O-N 2.88Å; A339-V342 PolarHBondContact O-N 2.82Å; A339-C343 PolarHBondContact O-N 2.92Å; A339-C343 PolarHBondContact O-SG 3.49Å
340F96.1Very high92.7Very high143 Ų14395.5 Ų95.563%0.62751%0.508SS*.Hα-helixtrans-60.6-41.4175.6178.3-96.5000112.3C336 Y337 C343 S344C336-F340 WeakPolarHBondContact O-CB 3.35Å; C336-F340 PolarHBondContact O-N 3.33Å; Y337-F340 PolarHBondContact O-N 2.89Å; F340-C343 PolarHBondContact O-N 2.81Å; F340-S344 VanDerWaalsContact O-CB 3.26Å; F340-S344 WeakPolarHBondContact O-CB 3.36Å; F340-S344 PolarHBondContact O-N 3.11Å
341R95.1Very high91.7Very high125 Ų12598.1 Ų98.147%0.47251%0.514SS..Hα-helixtrans-62.5-42.5175.2-81.6-62.8-143.2166.88.7112.3Y337 L338 A339 S344 L345Y337-R341 HydrophobicContact CD1-CG 4.11Å; Y337-R341 HydrophobicContact CE1-CG 3.64Å; Y337-R341 HydrophobicContact CE2-CG 4.23Å; Y337-R341 WeakPolarHBondContact O-CB 3.33Å; Y337-R341 WeakPolarHBondContact O-CG 3.42Å; Y337-R341 PolarHBondContact O-N 3.3Å; Y337-R341 PolarHBondContact OH-NE 3.47Å; Y337-R341 PolarHBondContact OH-NH2 2.95Å; L338-R341 PolarHBondContact O-N 3.43Å; A339-R341 VanDerWaalsContact C-N 3.33Å; A339-R341 PolarHBondContact O-N 2.88Å; R341-S344 PolarHBondContact O-N 2.95Å; R341-L345 WeakPolarHBondContact O-CB 3.41Å; R341-L345 VanDerWaalsContact O-CG 3.26Å; R341-L345 WeakPolarHBondContact O-CG 3.42Å; R341-L345 PolarHBondContact O-N 2.93Å
342V94.8Very high90.4Very high77 Ų7799.1 Ų99.147%0.46752%0.52SS..Hα-helixtrans-62.5-51.7175.6170.80000110.2L338 A339 S344 L345 E346L338-V342 WeakPolarHBondContact O-CG2 3.38Å; L338-V342 PolarHBondContact O-N 2.91Å; A339-V342 PolarHBondContact O-N 2.82Å; V342-S344 VanDerWaalsContact C-N 3.28Å; V342-S344 PolarHBondContact O-N 3.4Å; V342-L345 PolarHBondContact O-N 3.27Å; V342-L345 VanDerWaalsContact O-N 3.11Å; V342-E346 HydrophobicContact CG1-CG 4.32Å; V342-E346 WeakPolarHBondContact O-CG 3.37Å; V342-E346 PolarHBondContact O-N 3.24Å
343C92.1Very high89.2Confident68 Ų6899 Ų9946%0.45953%0.527SS..Hα-helixtrans-59.4-37.6177.8-62.30000112.8A339 F340 E346 Q347A339-C343 PolarHBondContact O-N 2.92Å; A339-C343 PolarHBondContact O-SG 3.49Å; F340-C343 PolarHBondContact O-N 2.81Å; C343-E346 PolarHBondContact O-N 3.43Å; C343-Q347 WeakPolarHBondContact O-CG 3.18Å; C343-Q347 PolarHBondContact O-N 3.37Å
344S89.1Confident87.6Confident32 Ų3299.7 Ų99.722%0.22453%0.531CS..Hα-helixtrans-67.9-39.1176.4178.50000112.3F340 R341 V342 Q348F340-S344 VanDerWaalsContact O-CB 3.26Å; F340-S344 WeakPolarHBondContact O-CB 3.36Å; F340-S344 PolarHBondContact O-N 3.11Å; R341-S344 PolarHBondContact O-N 2.95Å; V342-S344 VanDerWaalsContact C-N 3.28Å; V342-S344 PolarHBondContact O-N 3.4Å; S344-Q348 WeakPolarHBondContact O-CG 3.17Å; S344-Q348 PolarHBondContact O-N 2.78Å
345L92.3Very high85.7Confident91 Ų91101.9 Ų101.948%0.47654%0.544SS..Hα-helixtrans-69.5-39173.9-72.8169.1000111.8R341 V342 Q348 L349R341-L345 WeakPolarHBondContact O-CB 3.41Å; R341-L345 VanDerWaalsContact O-CG 3.26Å; R341-L345 WeakPolarHBondContact O-CG 3.42Å; R341-L345 PolarHBondContact O-N 2.93Å; V342-L345 PolarHBondContact O-N 3.27Å; V342-L345 VanDerWaalsContact O-N 3.11Å; L345-Q348 PolarHBondContact O-N 3.24Å; L345-L349 WeakPolarHBondContact O-CB 3.37Å; L345-L349 WeakPolarHBondContact O-CG 3.39Å; L345-L349 PolarHBondContact O-N 3.46Å
346E90.2Very high83.8Confident118 Ų118104.9 Ų104.955%0.55155%0.554SS**Hα-helixtrans-62.1-41.5173.5-75.1178.4166.600111.5V342 C343 L349 S350V342-E346 HydrophobicContact CG1-CG 4.32Å; V342-E346 WeakPolarHBondContact O-CG 3.37Å; V342-E346 PolarHBondContact O-N 3.24Å; C343-E346 PolarHBondContact O-N 3.43Å; E346-L349 PolarHBondContact O-N 2.9Å; E346-S350 WeakPolarHBondContact O-CB 3.26Å; E346-S350 PolarHBondContact O-N 3.46Å; E346-S350 PolarHBondContact O-OG 2.95Å
347Q85.9Confident81.6Confident124 Ų124109.2 Ų109.258%0.57957%0.571SS**Hα-helixtrans-59.6-50.4171.5-76.7177.5-13.600111.2C343 L349 S350 F351C343-Q347 WeakPolarHBondContact O-CG 3.18Å; C343-Q347 PolarHBondContact O-N 3.37Å; Q347-L349 VanDerWaalsContact C-N 3.33Å; Q347-L349 PolarHBondContact O-N 3.43Å; Q347-S350 PolarHBondContact O-N 3.39Å; Q347-S350 VanDerWaalsContact O-N 3.13Å; Q347-S350 PolarHBondContact O-OG 2.82Å; Q347-F351 VanDerWaalsContact O-CD2 3.23Å; Q347-F351 WeakPolarHBondContact O-CD2 3.26Å; Q347-F351 PolarHBondContact O-N 3.27Å
348Q86.8Confident79.4Confident115 Ų115108.1 Ų108.154%0.53758%0.581SS.*Hα-helixtrans-60.4-39.8177.9-72.5-178.2-35.400112.8S344 L345 F351 L352S344-Q348 WeakPolarHBondContact O-CG 3.17Å; S344-Q348 PolarHBondContact O-N 2.78Å; L345-Q348 PolarHBondContact O-N 3.24Å; Q348-F351 PolarHBondContact O-N 3.07Å; Q348-L352 WeakPolarHBondContact O-CG 3.23Å; Q348-L352 PolarHBondContact O-N 3.29Å; Q348-L352 VanDerWaalsContact O-N 3.15Å
349L80.4Confident77.2Confident115 Ų115111.8 Ų111.860%0.60260%0.6SS**Hα-helixtrans-66-38.6173.8-78.5163.1000112L345 E346 Q347 F351 L352 S353L345-L349 WeakPolarHBondContact O-CB 3.37Å; L345-L349 WeakPolarHBondContact O-CG 3.39Å; L345-L349 PolarHBondContact O-N 3.46Å; E346-L349 PolarHBondContact O-N 2.9Å; Q347-L349 VanDerWaalsContact C-N 3.33Å; Q347-L349 PolarHBondContact O-N 3.43Å; L349-F351 VanDerWaalsContact C-N 3.33Å; L349-F351 PolarHBondContact O-N 3.05Å; L349-L352 PolarHBondContact O-N 2.71Å; L349-S353 WeakPolarHBondContact O-CB 3.41Å; L349-S353 PolarHBondContact O-N 3.13Å
350S77.2Confident74.9Confident62 Ų62120.3 Ų120.343%0.43462%0.62SS.*Hα-helixtrans-66-33.1176.975.60000113.1E346 Q347E346-S350 WeakPolarHBondContact O-CB 3.26Å; E346-S350 PolarHBondContact O-N 3.46Å; E346-S350 PolarHBondContact O-OG 2.95Å; Q347-S350 PolarHBondContact O-N 3.39Å; Q347-S350 VanDerWaalsContact O-N 3.13Å; Q347-S350 PolarHBondContact O-OG 2.82Å
351F76Confident72.9Confident168 Ų168122.2 Ų122.274%0.73763%0.631SS**Hα-helixtrans-67.9-42.3171.3-82.4-69.4000112Q347 Q348 L349Q347-F351 VanDerWaalsContact O-CD2 3.23Å; Q347-F351 WeakPolarHBondContact O-CD2 3.26Å; Q347-F351 PolarHBondContact O-N 3.27Å; Q348-F351 PolarHBondContact O-N 3.07Å; L349-F351 VanDerWaalsContact C-N 3.33Å; L349-F351 PolarHBondContact O-N 3.05Å
352L70.4Confident70.8Confident141 Ų141131.5 Ų131.574%0.73867%0.666SS**Hα-helixtrans-73.6-27.3176.8-66.9172000113.1Q348 L349 N354Q348-L352 WeakPolarHBondContact O-CG 3.23Å; Q348-L352 PolarHBondContact O-N 3.29Å; Q348-L352 VanDerWaalsContact O-N 3.15Å; L349-L352 PolarHBondContact O-N 2.71Å; L352-N354 PolarHBondContact O-N 3.36Å
353S70.3Confident69.6Low90 Ų90134.2 Ų134.263%0.62968%0.676SS**THydrogen-bonded Turntrans-76-4.5178.4-174.10000113.9L349 P355L349-S353 WeakPolarHBondContact O-CB 3.41Å; L349-S353 PolarHBondContact O-N 3.13Å; S353-P355 WeakPolarHBondContact O-CD 3.45Å
354N63.6Low68.4Low124 Ų124137.7 Ų137.766%0.66369%0.687SS**  trans-113.269.3176.8-97.6-59.3000112.6L352 N356L352-N354 PolarHBondContact O-N 3.36Å; N354-N356 PolarHBondContact O-N 3.15Å
355P58.2Low67.2Low104 Ų104143.6 Ų143.668%0.67571%0.713SS**  trans-79.58175.633.6-36.2000114.2S353S353-P355 WeakPolarHBondContact O-CD 3.45Å
356N56.2Low65.7Low137 Ų137146.6 Ų146.673%0.73373%0.727SS**  trans-136.294.3-174.8-73.9-72.8000113.2N354N354-N356 PolarHBondContact O-N 3.15Å
357L52.5Low64.2Low166 Ų166148.4 Ų148.487%0.86974%0.738SS**  trans-122.8129.8146.9-139.5107.1000107.1
358P48.7Very low62.8Low108 Ų108150.1 Ų150.170%0.70175%0.749SS**  trans-77.1146.2-16329.7-34.9000112.7R360P358-R360 PolarHBondContact O-N 2.99Å
359L50.1Low61Low186 Ų186152.6 Ų152.697%0.97476%0.764SS**  trans-50.1106153.1-104.2151.6000108.4
360R47.2Very low59.6Low233 Ų233155.5 Ų155.588%0.87978%0.776SS**  trans-106116171.5-168.9173.4-167.1160.55.8108.7P358 R362P358-R360 PolarHBondContact O-N 2.99Å; R360-R362 PolarHBondContact O-N 3.44Å
361E53Low58.1Low182 Ų182163.3 Ų163.385%0.8581%0.805SS**  trans-52130.4173.1-60162.7108.700111.6
362R50.8Low56.5Low320 Ų320162.8 Ų162.8100%1.20881%0.811SS**  -169.10118.9-104.9174.3-176.5170.61.6112.2R360R360-R362 PolarHBondContact O-N 3.44Å

Retrieved 362 of 362 residues in 440.3 ms (Link to these results)