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Tyrosine-protein kinase Fyn

Non-receptor tyrosine-protein kinase that plays a role in many biological processes including regulation of cell growth and survival, cell adhesion, integrin-mediated signaling, cytoskeletal remodeling, cell motility, immune response and axon guidance1,2,3,4,5,6,7. Inactive FYN is phosphorylated on its C-terminal tail within the catalytic domain8. Following activation by PKA, the protein subsequently associates with PTK2/FAK1, allowing PTK2/FAK1 phosphorylation, activation and targeting to focal adhesions9. Involved in the regulation of cell adhesion and motility through phosphorylation of CTNNB1 (beta-catenin) and CTNND1 (delta-catenin)10. Regulates cytoskeletal remodeling by phosphorylating several proteins including the actin regulator WAS and the microtubule-associated proteins MAP2 and MAPT11,12. Promotes cell survival by phosphorylating AGAP2/PIKE-A and preventing its apoptotic cleavage13. Participates in signal transduction pathways that regulate the integrity of the glomerular slit diaphragm (an essential part of the glomerular filter of the kidney) by phosphorylating several slit diaphragm components including NPHS1, KIRREL1 and TRPC614,15,16. Plays a role in neural processes by phosphorylating DPYSL2, a multifunctional adapter protein within the central nervous system, ARHGAP32, a regulator for Rho family GTPases implicated in various neural functions, and SNCA, a small pre-synaptic protein17,18,19. Involved in reelin signaling by mediating phosphorylation of DAB1 following reelin (RELN)-binding to its receptor (By similarity). Participates in the downstream signaling pathways that lead to T-cell differentiation and proliferation following T-cell receptor (TCR) stimulation20. Phosphorylates PTK2B/PYK2 in response to T-cell receptor activation21. Also participates in negative feedback regulation of TCR signaling through phosphorylation of PAG1 and PDCD122,23. Phosphorylation of PAG1 promotes interaction between PAG1 and CSK and recruitment of CSK to lipid rafts24. Phosphorylation of PDCD1 leads to the recruitment of PTPN11/SHP-2 that mediates dephosphorylation of key TCR proximal signaling molecules25. CSK maintains LCK and FYN in an inactive form (By similarity). Promotes CD28-induced phosphorylation of VAV126. In mast cells, phosphorylates CLNK after activation of immunoglobulin epsilon receptor signaling (By similarity). Can also promote CD244-mediated NK cell activation27.

AlphaFold DB , UniProt , Accession P06241, Species HUMAN (Homo sapiens, Human), Gene FYN, Length 537 aa.

Structure Viewer
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M31.7Very low34.3Very low252 Ų252160.9 Ų160.9100%1.24190%0.899SS**  0124.30-77.4-167.3-108.800108.3
2G33.5Very low33.9Very low88 Ų88157.4 Ų157.491%0.90789%0.885SS**  trans96.292.8166.600000116.9
3C25.8Very low34Very low126 Ų126159.7 Ų159.785%0.85188%0.879SS**  trans-112.7137.9164.5-172.80000107.9
4V39.4Very low34Very low137 Ų137159.4 Ų159.483%0.8387%0.874SS**  trans-142.4100.1166.4-177.10000111.2
5Q33.4Very low33.8Very low180 Ų180157.3 Ų157.384%0.84187%0.869SS**  trans35.7138.6131.3-69.1-179.4-24.200124.8
6C31.2Very low33.9Very low121 Ų121160.1 Ų160.182%0.81887%0.873SS**  trans-64.8170174.8-46.30000117.1
7K35.5Very low33.8Very low210 Ų210161.9 Ų161.991%0.91388%0.875SS**  trans-157.8112.5141.6-111.4174.1-176.2176.30112.2
8D32.5Very low34Very low155 Ų155166.9 Ų166.983%0.82988%0.879SS**  trans-78.8153.3161.8-76.4-48.7000111.4
9K41.7Very low34Very low210 Ų210167.3 Ų167.391%0.91388%0.882SS**  trans-144.3108.9155.9-88.5-169.3173.8-176.70109.9
10E30.8Very low34.1Very low184 Ų184162.3 Ų162.386%0.8687%0.872SS**  trans-75.4149.6158.5-82.9-178.3128.500111.1
11A41.7Very low34.2Very low107 Ų107159.6 Ų159.688%0.88487%0.865SS**  trans-140114.2154.700000108.7
12T29.7Very low34.3Very low119 Ų119154.8 Ų154.873%0.7384%0.844SS**  trans-96.6165.9174.2-23.40000110.4
13K34.7Very low34.3Very low187 Ų187157.9 Ų157.981%0.81384%0.84SS**  trans84.9132.4163.9-80.7-177.7179.7-175.80115.7
14L35.1Very low34.6Very low155 Ų155160 Ų16081%0.81284%0.837SS**  cis-159.8153.526.4-97.1138.5000111.4
15T29.8Very low34.4Very low128 Ų128158.6 Ų158.679%0.78583%0.833SS**  trans-73.5144.916942.90000113.5
16E36.4Very low34.5Very low202 Ų202155.4 Ų155.494%0.94483%0.831SS**  trans-161.5129.4143.6-113.9175.2-168.500111.5
17E31.7Very low34.4Very low192 Ų192152.6 Ų152.690%0.89782%0.823SS**  trans-77.4148177.3-62176.4142.900111.8
18R38.2Very low34.3Very low252 Ų252154.3 Ų154.395%0.95183%0.825SS**  trans-161.7120.5143.6-117.9175.3-179.2-173.30.4113.2
19D32.7Very low34.3Very low174 Ų174158.5 Ų158.593%0.9383%0.829SS**  trans-56.3153166.5-88.2-44000114.1
20G37.7Very low33.7Very low66 Ų66160.1 Ų160.168%0.6883%0.831SS**  trans177.663.1172.600000116.2
21S35.5Very low33.8Very low106 Ų106154.7 Ų154.774%0.74183%0.825SS**  trans34.7121.4140.554.40000122.8
22L33Very low33.3Very low152 Ų152156 Ų15680%0.79682%0.822SS**  58.2114.6129-68.2156.4000120.2
23N34.9Very low33.2Very low153 Ų153157.8 Ų157.882%0.81883%0.827SS**  -166.6152.5102.9-115.8-17.9000115.5
24Q31.7Very low33.3Very low170 Ų170154.7 Ų154.779%0.79483%0.826SS**  trans-64.5151.2-172.2-64.5158.67.600115.1
25S34.4Very low33Very low107 Ų107153.1 Ų153.175%0.74882%0.823SS**  177141.9101.572.10000113.9
26S36.5Very low33.2Very low114 Ų114153 Ų15380%0.79782%0.824SS**  trans64.3110.2149.5-26.90000118.1
27G28.2Very low32.9Very low62 Ų62150.9 Ų150.964%0.63982%0.815SS**  cis107.9922600000110.4
28Y34.3Very low32.7Very low245 Ų245150.9 Ų150.996%0.96181%0.814SS**  trans-147.9135151.1-85.7-70.7000111.3
29R33.1Very low32.2Very low244 Ų244147.8 Ų147.892%0.92180%0.804SS**  trans-81.4153-162.6-75.8174171.3171.5-3.7113.9
30Y28.8Very low31.9Very low243 Ų243143.8 Ų143.895%0.95379%0.788SS**  trans-33.6130.3161.6-87-102.5000114.9
31G32.5Very low31.3Very low70 Ų70146.6 Ų146.672%0.72280%0.796SS**  trans-126.5100.916300000109.6
32T31.9Very low30.9Very low136 Ų136150.2 Ų150.283%0.83480%0.799SS**  trans18.4126.2149.950.80000120.4
33D27.3Very low30.6Very low156 Ų156145.9 Ų145.983%0.83479%0.791SS**  trans-32.4138.2167.4-67.7-55.1000116.3
34P35.5Very low30.1Very low121 Ų121145.4 Ų145.479%0.78679%0.794SS**  trans-83.4118.4153.631.3-21.5000108.9
35T30.1Very low29.8Very low123 Ų123143.4 Ų143.476%0.75579%0.793SS**  trans-38.5137.2165.833.70000113.2Q37T35-Q37 PolarHBondContact O-N 2.82Å
36P33.6Very low29.4Very low125 Ų125143.5 Ų143.581%0.81279%0.793SS**  trans-72119.2170.419.7-13.4000108.6H38P36-H38 PolarHBondContact O-N 3.47Å
37Q30.2Very low28.9Very low158 Ų158145 Ų14574%0.73879%0.791SS**  trans-61.6109.6168.7-84-176.4-2400109.1T35 Y39T35-Q37 PolarHBondContact O-N 2.82Å; Q37-Y39 PolarHBondContact O-N 3.23Å; Q37-Y39 VanDerWaalsContact O-N 3.13Å
38H26.7Very low28.7Very low191 Ų191145.5 Ų145.588%0.88478%0.783SS**  trans-63.2103171.4-134.6-29.9000108.5P36P36-H38 PolarHBondContact O-N 3.47Å
39Y28.7Very low28.5Very low187 Ų187140.1 Ų140.173%0.73377%0.771SS**  trans-76.4137.2164-79.2-85.9000108.9Q37 S41Q37-Y39 PolarHBondContact O-N 3.23Å; Q37-Y39 VanDerWaalsContact O-N 3.13Å; Y39-S41 PolarHBondContact O-N 3.13Å
40P26.1Very low28.2Very low91 Ų91137.4 Ų137.459%0.59176%0.762SS**  trans-66.5132.6-179.6-7.622.3000109.4F42P40-F42 VanDerWaalsContact C-N 3.34Å; P40-F42 HydrophobicContact CB-CD2 4.25Å; P40-F42 HydrophobicContact CB-CE2 4.06Å; P40-F42 HydrophobicContact CG-CE2 4.16Å; P40-F42 PolarHBondContact O-N 2.89Å
41S25.3Very low28.3Very low124 Ų124129.7 Ų129.787%0.86774%0.738SS**  trans-61.395.1166.4-173.70000108.5Y39Y39-S41 PolarHBondContact O-N 3.13Å
42F26.9Very low28.1Very low183 Ų183132.8 Ų132.880%0.80374%0.737SS**  trans-81.4115165-84.8-79.9000107.6P40 V44P40-F42 VanDerWaalsContact C-N 3.34Å; P40-F42 HydrophobicContact CB-CD2 4.25Å; P40-F42 HydrophobicContact CB-CE2 4.06Å; P40-F42 HydrophobicContact CG-CE2 4.16Å; P40-F42 PolarHBondContact O-N 2.89Å; F42-V44 PolarHBondContact O-N 3.38Å
43G25.2Very low28.1Very low60 Ų60135.1 Ų135.162%0.61974%0.736SS**  trans-49.9135.2-175.400000112.2T45G43-T45 PolarHBondContact O-N 3.32Å
44V25.7Very low28.1Very low144 Ų144135.3 Ų135.387%0.87373%0.732SS**  trans-53.1100.6168.4179.40000107.7F42 S46F42-V44 PolarHBondContact O-N 3.38Å; V44-S46 PolarHBondContact O-N 3.4Å
45T24.3Very low27.8Very low127 Ų127134.3 Ų134.378%0.77973%0.734SS**PPolyproline II helixtrans-65.9119.4164.642.40000106.6G43 I47G43-T45 PolarHBondContact O-N 3.32Å; T45-I47 PolarHBondContact O-N 3.08Å
46S26.4Very low27.8Very low109 Ų109133.3 Ų133.376%0.76274%0.738SS**PPolyproline II helixtrans-53.2121.2178.5410000110.4V44V44-S46 PolarHBondContact O-N 3.4Å
47I26.2Very low27.4Very low145 Ų145131 Ų13174%0.74474%0.737SS**PPolyproline II helixtrans-64.9124.8168.7-60.1172000106.8T45 N49T45-I47 PolarHBondContact O-N 3.08Å; I47-N49 PolarHBondContact O-N 3.13Å
48P23.8Very low27.4Very low73 Ų73127 Ų12747%0.47474%0.738SS.*PPolyproline II helixtrans-63.8125.8177.1-14.526.8000109.8Y50P48-Y50 HydrophobicContact CB-CD2 4.15Å; P48-Y50 HydrophobicContact CB-CE1 4.47Å; P48-Y50 HydrophobicContact CB-CE2 3.65Å; P48-Y50 HydrophobicContact CG-CE2 3.9Å; P48-Y50 WeakPolarHBondContact O-CD2 3.46Å; P48-Y50 PolarHBondContact O-N 3.42Å
49N29.9Very low27.6Very low133 Ų133127.4 Ų127.471%0.71174%0.74SS**  trans-71.9109171.4-165.5-3000108.3I47 N51I47-N49 PolarHBondContact O-N 3.13Å; N49-N51 PolarHBondContact O-N 2.86Å
50Y27.8Very low27.5Very low186 Ų186121.9 Ų121.973%0.72974%0.741SS**THydrogen-bonded Turntrans-89.615.9-166.8-85.6-72.7000115.6P48P48-Y50 HydrophobicContact CB-CD2 4.15Å; P48-Y50 HydrophobicContact CB-CE1 4.47Å; P48-Y50 HydrophobicContact CB-CE2 3.65Å; P48-Y50 HydrophobicContact CG-CE2 3.9Å; P48-Y50 WeakPolarHBondContact O-CD2 3.46Å; P48-Y50 PolarHBondContact O-N 3.42Å
51N30.8Very low27.7Very low82 Ų82126 Ų12644%0.43976%0.757SS.*THydrogen-bonded Turntrans-93.912.8174.9-80.9-7.8000115.1N49 F53N49-N51 PolarHBondContact O-N 2.86Å; N51-F53 PolarHBondContact O-N 3.32Å
52N28Very low27.8Very low134 Ų134126.3 Ų126.372%0.71775%0.753SS**  trans-84.293.9176.8-100.41000112.6H54N52-H54 PolarHBondContact O-N 2.74Å
53F31.7Very low28.1Very low186 Ų186124.3 Ų124.382%0.81676%0.756SS**  trans-81.494.6158.5-74.3-81.2000109.5N51N51-F53 PolarHBondContact O-N 3.32Å
54H27.9Very low28.2Very low160 Ų160131.5 Ų131.574%0.74177%0.771SS**  trans-91.5120.1158.3-84.8-69000109.1N52 A56N52-H54 PolarHBondContact O-N 2.74Å; H54-A56 PolarHBondContact O-N 3.42Å
55A27.6Very low28.5Very low100 Ų100128.1 Ų128.183%0.82677%0.765SS**  trans-57.1116.7165.200000108.9G57A55-G57 PolarHBondContact O-N 3.14Å
56A30.5Very low28.8Very low102 Ų102125.7 Ų125.784%0.84377%0.765SS**  trans-69.796.217300000109.2H54 G58H54-A56 PolarHBondContact O-N 3.42Å; A56-G58 PolarHBondContact O-N 3.44Å
57G26.3Very low29.2Very low76 Ų76126.5 Ų126.578%0.78477%0.765SS**  trans-70.898.4160.900000109.2A55 Q59A55-G57 PolarHBondContact O-N 3.14Å; G57-Q59 PolarHBondContact O-N 2.88Å
58G29.9Very low29.4Very low75 Ų75126.5 Ų126.577%0.77377%0.767SS**PPolyproline II helixtrans-73.7116.9170.700000110.6A56A56-G58 PolarHBondContact O-N 3.44Å
59Q31.3Very low30Very low198 Ų198128.1 Ų128.193%0.92578%0.779SS**PPolyproline II helixtrans-62.2134.1166.2-73.9178.3-19.200110G57G57-Q59 PolarHBondContact O-N 2.88Å
60G26.1Very low30.3Very low72 Ų72127.1 Ų127.174%0.74278%0.783SS**PPolyproline II helixtrans-76.5162-172.500000115.2
61L30.3Very low30.5Very low177 Ų177122.6 Ų122.693%0.92778%0.778SS**  trans-147.4118.8147.4-101153.6000106.9
62T27Very low30.7Very low130 Ų130126.6 Ų126.680%0.79879%0.794SS**  trans-86.7138.2-17742.50000111
63V33Very low31Very low142 Ų142126.4 Ų126.486%0.86180%0.798SS**  trans-147.1102.6148.2-178.70000110.3
64F28.7Very low30.8Very low211 Ų211120.9 Ų120.993%0.92579%0.793SS**  trans36.7130141.8-107.1-95.5000123.7
65G31.4Very low31Very low73 Ų73119.8 Ų119.875%0.75380%0.798SS**  trans152.6106.1143.500000115.1
66G30Very low31.1Very low75 Ų75122.9 Ų122.977%0.77380%0.8SS**  trans-68-168.6-176.300000116.1
67V34.5Very low30.9Very low127 Ų127130 Ų13077%0.7781%0.805SS**  cis-162.9144.119.4178.40000108.7
68N30.9Very low31.2Very low145 Ų145132.6 Ų132.678%0.77581%0.806SS**  trans30.4134.2154.7-56.8-15.2000123.2
69S37.3Very low31.1Very low106 Ų106141.3 Ų141.374%0.74182%0.815SS**  178.6135.886.6-740000113.8
70S34.6Very low31Very low112 Ų112136 Ų13678%0.78381%0.814SS**  trans41145.8142.361.60000121.5
71S32Very low31.2Very low91 Ų91135.8 Ų135.864%0.63681%0.812SS**  cis172.1138.3-5.746.90000104.4
72H34.7Very low31.7Very low166 Ų166133.7 Ų133.777%0.76981%0.807SS**  trans167.2126.5138.5-93.2-64.3000113
73T35.9Very low33.1Very low131 Ų131131 Ų13180%0.80481%0.805SS**  trans51.4118.7143.158.80000118.4
74G27.8Very low35Very low69 Ų69128.1 Ų128.171%0.71179%0.787SS**  cis133.7102.921.500000107.8
75T32.1Very low37.6Very low138 Ų138122.2 Ų122.285%0.84777%0.769SS**  trans-174.8120.5150.29.80000111.1
76L28Very low40.6Very low165 Ų165122 Ų12286%0.86475%0.75SS**  trans23.797.1159-72.2137.5000119
77R27Very low43.7Very low251 Ų251119.8 Ų119.895%0.94772%0.719SS**  trans-89.2109.4155.1-78.1-176.5168.4-174.1-3.6109.7
78T32.4Very low46.6Very low131 Ų131114.8 Ų114.880%0.80469%0.689SS**  trans-71.2128.6159.443.70000109.6G80T78-G80 PolarHBondContact O-N 3.36Å
79R28.4Very low49.7Very low257 Ų257108 Ų10897%0.9765%0.652SS**SBendtrans-52.2124.2174.8-112.7168.1165.3175.3-4.9111.5
80G28.6Very low52.3Low87 Ų87104.3 Ų104.390%0.89762%0.624SS**  trans87.335.615000000119.2T78T78-G80 PolarHBondContact O-N 3.36Å
81G29.6Very low55Low68 Ų68100.9 Ų100.970%0.70160%0.595SS**  trans-105.8118176.200000112.8G83G81-G83 PolarHBondContact O-N 3.14Å
82T41.3Very low57.9Low133 Ų133101 Ų10182%0.81659%0.588SS**  trans-51.5110.9152.542.30000107.1V84T82-V84 PolarHBondContact O-N 3.39Å
83G56.7Low60.6Low73 Ų7393.7 Ų93.775%0.75355%0.554SS**  trans-56.9111.2-175.600000110.1G81 T85G81-G83 PolarHBondContact O-N 3.14Å; G83-T85 PolarHBondContact O-N 3Å
84V72.8Confident63.3Low82 Ų8294.2 Ų94.250%0.49755%0.547SS..  trans-71.8115.5175.4177.60000107T82 L86 Q110T82-V84 PolarHBondContact O-N 3.39Å; V84-L86 PolarHBondContact O-N 3.43Å; V84-Q110 HydrophobicContact CG1-CG 3.71Å
85T83.5Confident66.3Low87 Ų8791.9 Ų91.953%0.53452%0.521SS..  trans-62.9118.6175-550000109.2G83 F87 P140G83-T85 PolarHBondContact O-N 3Å; T85-F87 HydrophobicContact CG2-CD2 4.21Å; T85-F87 HydrophobicContact CG2-CE2 3.66Å; T85-F87 HydrophobicContact CG2-CZ 4.26Å; T85-P140 HydrophobicContact CG2-CB 4.05Å
86L93.8Very high68.9Low68 Ų6887.4 Ų87.436%0.35649%0.489SS..EExtended strand (participates in β ladder)trans-87.9143.9174-61.9-176.1000110.3V84 L125 P140 V141V84-L86 PolarHBondContact O-N 3.43Å; L86-L125 HydrophobicContact CD1-CD1 4.23Å; L86-L125 HydrophobicContact CD2-CD1 3.88Å; L86-P140 WeakPolarHBondContact O-CA 3.44Å; L86-V141 HydrophobicContact CB-CG2 3.82Å; L86-V141 WeakPolarHBondContact O-CG2 3.29Å; L86-V141 PolarHBondContact O-N 2.91Å
87F95.6Very high71.7Confident28 Ų2880.6 Ų80.612%0.12345%0.454CS..EExtended strand (participates in β ladder)trans-114.5153.4176.7-75.9-106.8000110.3T85 K108 F109 I111 W120 V138 A139 P140T85-F87 HydrophobicContact CG2-CD2 4.21Å; T85-F87 HydrophobicContact CG2-CE2 3.66Å; T85-F87 HydrophobicContact CG2-CZ 4.26Å; F87-K108 CarbonylContact O-C 3.57Å; F87-K108 WeakPolarHBondContact O-CA 3.44Å; F87-F109 HydrophobicContact CB-CB 4.42Å; F87-F109 PolarHBondContact N-O 2.77Å; F87-F109 PolarHBondContact O-N 3.04Å; F87-I111 HydrophobicContact CB-CD1 4.37Å; F87-I111 HydrophobicContact CB-CG1 4.43Å; F87-I111 HydrophobicContact CD1-CG1 4.5Å; F87-I111 HydrophobicContact CD2-CD1 4.22Å; F87-I111 HydrophobicContact CD2-CG1 3.39Å; F87-I111 HydrophobicContact CE2-CG1 3.63Å; F87-I111 HydrophobicContact CG-CD1 4.22Å; F87-I111 HydrophobicContact CG-CG1 3.87Å; F87-I111 HydrophobicContact CZ-CG1 4.29Å; F87-W120 HydrophobicContact CD1-CZ3 4.15Å; F87-W120 HydrophobicContact CE1-CH2 4.26Å; F87-W120 AromaticContact CE1-CZ3 3.61Å; F87-W120 HydrophobicContact CE1-CZ3 3.61Å; F87-W120 HydrophobicContact CZ-CZ3 4.07Å; F87-V138 HydrophobicContact CB-CB 4.24Å; F87-V138 HydrophobicContact CD1-CB 4.25Å; F87-V138 HydrophobicContact CD1-CG2 4.01Å; F87-A139 CarbonylContact C-O 3.57Å; F87-A139 VanDerWaalsContact CA-O 3.23Å; F87-A139 WeakPolarHBondContact CA-O 3.41Å; F87-A139 VanDerWaalsContact CD1-C 3.4Å; F87-P140 HydrophobicContact CD1-CG 4.23Å; F87-P140 HydrophobicContact CE1-CB 4.42Å; F87-P140 HydrophobicContact CE1-CG 3.65Å; F87-P140 HydrophobicContact CZ-CG 3.93Å
88V95.5Very high74.6Confident22 Ų2278.1 Ų78.113%0.13345%0.453CS..EExtended strand (participates in β ladder)trans-122.3138.3176.962.10000110.2E107 V138 A139 V141 A146V88-E107 CarbonylContact C-O 3.54Å; V88-E107 WeakPolarHBondContact CA-O 3.5Å; V88-V138 VanDerWaalsContact O-CA 3.25Å; V88-V138 WeakPolarHBondContact O-CA 3.03Å; V88-A139 PolarHBondContact N-O 2.92Å; V88-A139 PolarHBondContact O-N 3.45Å; V88-V141 HydrophobicContact CB-CG2 4.09Å; V88-V141 HydrophobicContact CG1-CG2 4.5Å; V88-A146 HydrophobicContact CG1-CB 3.88Å
89A95.3Very high77.4Confident2 Ų274.5 Ų74.52%0.01743%0.429CS..EExtended strand (participates in β ladder)trans-68125.9171.100000111.1F103 H104 G106 E107 F109A89-F103 HydrophobicContact CB-CD2 3.56Å; A89-F103 HydrophobicContact CB-CE2 3.78Å; A89-H104 WeakPolarHBondContact CB-O 3.36Å; A89-G106 PolarHBondContact O-N 3Å; A89-E107 HydrophobicContact CB-CB 4.38Å; A89-E107 PolarHBondContact N-O 2.9Å; A89-F109 HydrophobicContact CB-CE2 3.94Å
90L91.9Very high80.4Confident29 Ų2962.8 Ų62.815%0.15239%0.386CS..SBendtrans-86.4-22.8176.8-56.3-179.7000112.3K105 Y137 A139L90-K105 WeakPolarHBondContact O-CD 3.3Å; L90-K105 WeakPolarHBondContact O-CE 3.23Å; L90-K105 WeakPolarHBondContact O-CG 3.11Å; L90-Y137 WeakPolarHBondContact CB-O 3.39Å; L90-Y137 PolarHBondContact N-O 3.16Å; L90-A139 HydrophobicContact CD1-CB 4.14Å; L90-A139 HydrophobicContact CD2-CB 3.96Å; L90-A139 HydrophobicContact CG-CB 4.32Å
91Y91.2Very high83.4Confident40 Ų4059.2 Ų59.216%0.15735%0.346CS..SBendtrans-142.9164-175.8-46.1-83.5000110.1F103 Y137 K248 M250 P251Y91-F103 WeakPolarHBondContact O-CE2 3.25Å; Y91-Y137 HydrophobicContact CD2-CD1 4.19Å; Y91-Y137 HydrophobicContact CD2-CG 4.22Å; Y91-Y137 HydrophobicContact CG-CD1 4.47Å; Y91-K248 HydrophobicContact CE1-CB 4.08Å; Y91-M250 HydrophobicContact CG-CG 4.48Å; Y91-P251 HydrophobicContact CD2-CG 3.64Å; Y91-P251 HydrophobicContact CE2-CG 3.37Å; Y91-P251 HydrophobicContact CG-CG 4.44Å
92D92.9Very high86.5Confident93 Ų9359 Ų5950%0.49733%0.334SS..  trans-72.7146.7165.5-57.1-42.4000109.8F103 H104 K105 Y137D92-F103 WeakPolarHBondContact CA-O 3.31Å; D92-H104 VanDerWaalsContact OD1-CA 3.28Å; D92-H104 WeakPolarHBondContact OD1-CA 3.08Å; D92-H104 IonicContact OD1-ND1 2.8Å; D92-K105 PolarHBondContact OD1-N 3.4Å; D92-Y137 WeakPolarHBondContact O-CE1 3.4Å
93Y92.6Very high89.1Confident14 Ų1452.9 Ų52.96%0.05530%0.296CS..BIsolated β-bridgetrans-142.3133174.7175-100.9000110.1D100 L101 S102 F103 W119 P134 Y137 L253Y93-D100 HydrophobicContact CE1-CB 4.17Å; Y93-D100 PolarHBondContact OH-OD2 3.24Å; Y93-L101 WeakPolarHBondContact CD1-O 3.13Å; Y93-L101 VanDerWaalsContact CE1-O 3.3Å; Y93-L101 WeakPolarHBondContact CE1-O 2.99Å; Y93-S102 CarbonylContact O-C 3.51Å; Y93-S102 WeakPolarHBondContact O-CA 3.25Å; Y93-F103 AromaticContact CD1-CD1 3.9Å; Y93-F103 HydrophobicContact CD1-CD1 3.9Å; Y93-F103 AromaticContact CD1-CE1 3.4Å; Y93-F103 HydrophobicContact CD1-CE1 3.4Å; Y93-F103 VanDerWaalsContact CD1-CE1 3.4Å; Y93-F103 AromaticContact CD1-CZ 3.97Å; Y93-F103 HydrophobicContact CD1-CZ 3.97Å; Y93-F103 HydrophobicContact CE1-CE1 4.36Å; Y93-F103 HydrophobicContact CG-CD1 4.42Å; Y93-F103 AromaticContact CG-CE1 3.75Å; Y93-F103 HydrophobicContact CG-CE1 3.75Å; Y93-F103 HydrophobicContact CG-CE2 4.5Å; Y93-F103 AromaticContact CG-CZ 3.81Å; Y93-F103 HydrophobicContact CG-CZ 3.81Å; Y93-F103 PolarHBondContact N-O 2.91Å; Y93-F103 PolarHBondContact O-N 2.82Å; Y93-W119 WeakPolarHBondContact OH-CH2 3.27Å; Y93-W119 WeakPolarHBondContact OH-CZ3 3.47Å; Y93-P134 HydrophobicContact CD2-CG 3.84Å; Y93-P134 HydrophobicContact CE2-CG 3.92Å; Y93-P134 HydrophobicContact CG-CG 4.19Å; Y93-Y137 HydrophobicContact CD2-CD1 4.32Å; Y93-Y137 HydrophobicContact CD2-CE1 4.01Å; Y93-Y137 HydrophobicContact CG-CD1 4.43Å; Y93-Y137 HydrophobicContact CG-CE1 4.47Å; Y93-L253 HydrophobicContact CE2-CD1 3.74Å
94E91.6Very high90.9Very high142 Ų14256 Ų5666%0.66429%0.29SS*.  trans-104.9125.7175.2-171.8178.5179.500108.3R96E94-R96 PolarHBondContact O-N 3.45Å
95A90.8Very high91.9Very high20 Ų2057.2 Ų57.217%0.16529%0.289CS..  trans-55.7134.1179.500000110.9D100 S102 N293A95-D100 HydrophobicContact CB-CB 3.86Å; A95-D100 WeakPolarHBondContact CB-O 3.44Å; A95-S102 WeakPolarHBondContact CB-OG 3.4Å; A95-S102 PolarHBondContact N-OG 2.66Å; A95-N293 PolarHBondContact O-ND2 3.46Å
96R86.9Confident92.4Very high44 Ų4455.1 Ų55.117%0.16629%0.285CS..SBendtrans-103-15.8-178.4-58178175.2-174.6-2.1112.8E94 D100 L253 L256 W290 T294E94-R96 PolarHBondContact O-N 3.45Å; R96-D100 PolarHBondContact N-OD2 3.14Å; R96-L253 VanDerWaalsContact NH1-CD1 3.27Å; R96-L256 WeakPolarHBondContact CD-O 3.49Å; R96-W290 HydrophobicContact CB-CZ3 3.75Å; R96-T294 VanDerWaalsContact CD-OG1 3.24Å; R96-T294 WeakPolarHBondContact CD-OG1 3.27Å; R96-T294 WeakPolarHBondContact CG-OG1 3.43Å
97T87Confident92.5Very high22 Ų2252.8 Ų52.814%0.13527%0.272CS..SBendtrans-138.9167.817668.90000109.8D99 D100 W290T97-D99 PolarHBondContact O-N 2.86Å; T97-D100 PolarHBondContact N-OD2 3.49Å; T97-D100 PolarHBondContact O-N 3.11Å; T97-D100 PolarHBondContact OG1-OD1 3.45Å; T97-D100 PolarHBondContact OG1-OD2 2.87Å; T97-W290 HydrophobicContact CG2-CH2 3.58Å; T97-W290 HydrophobicContact CG2-CZ2 4.34Å; T97-W290 HydrophobicContact CG2-CZ3 4.32Å
98E88.6Confident92.6Very high199 Ų19955.9 Ų55.993%0.9329%0.286SS*.THydrogen-bonded Turntrans-66.5-18177.2-61178.4175.100113.1
99D89.8Confident92.6Very high55 Ų5554.9 Ų54.929%0.29428%0.279SS..THydrogen-bonded Turntrans-89-12.3179.4-43.5-74.9000112.6T97 G131 Y132 K259T97-D99 PolarHBondContact O-N 2.86Å; D99-G131 CarbonylContact O-C 3.56Å; D99-G131 VanDerWaalsContact O-CA 3.32Å; D99-G131 WeakPolarHBondContact O-CA 3.23Å; D99-Y132 HydrophobicContact CB-CD2 3.95Å; D99-Y132 HydrophobicContact CB-CE2 4.38Å; D99-Y132 PolarHBondContact O-N 2.64Å; D99-K259 IonicContact OD1-NZ 3.45Å; D99-K259 PolarHBondContact OD1-NZ 3.11Å; D99-K259 WeakPolarHBondContact OD2-CE 3.34Å; D99-K259 IonicContact OD2-NZ 3.92Å; D99-K259 PolarHBondContact OD2-NZ 3.16Å
100D91.4Very high92.6Very high11 Ų1157.7 Ų57.76%0.05929%0.292CS..BIsolated β-bridgetrans-89.8150-178-52.8-38.8000111.1Y93 A95 R96 T97 Y132Y93-D100 HydrophobicContact CE1-CB 4.17Å; Y93-D100 PolarHBondContact OH-OD2 3.24Å; A95-D100 HydrophobicContact CB-CB 3.86Å; A95-D100 WeakPolarHBondContact CB-O 3.44Å; R96-D100 PolarHBondContact N-OD2 3.14Å; T97-D100 PolarHBondContact N-OD2 3.49Å; T97-D100 PolarHBondContact O-N 3.11Å; T97-D100 PolarHBondContact OG1-OD1 3.45Å; T97-D100 PolarHBondContact OG1-OD2 2.87Å; D100-Y132 CarbonylContact C-O 3.6Å; D100-Y132 WeakPolarHBondContact CA-O 3.5Å
101L93.2Very high92.7Very high11 Ų1157.9 Ų57.96%0.05829%0.293CS..PPolyproline II helixtrans-96.9129.2172.2-72.5173.5000111Y93 F103 A122 E129 G131 Y132 I133Y93-L101 WeakPolarHBondContact CD1-O 3.13Å; Y93-L101 VanDerWaalsContact CE1-O 3.3Å; Y93-L101 WeakPolarHBondContact CE1-O 2.99Å; L101-F103 VanDerWaalsContact O-CD1 3.29Å; L101-F103 WeakPolarHBondContact O-CD1 3.38Å; L101-A122 WeakPolarHBondContact CD1-O 3.33Å; L101-E129 HydrophobicContact CD2-CB 3.74Å; L101-G131 VanDerWaalsContact CD1-N 3.28Å; L101-Y132 PolarHBondContact N-O 3.49Å; L101-I133 HydrophobicContact CB-CG2 3.97Å; L101-I133 HydrophobicContact CD1-CG2 4.32Å
102S94.5Very high92.8Very high65 Ų6559.8 Ų59.846%0.45531%0.305SS..PPolyproline II helixtrans-77.5142.9165-60.40000109.9Y93 A95Y93-S102 CarbonylContact O-C 3.51Å; Y93-S102 WeakPolarHBondContact O-CA 3.25Å; A95-S102 WeakPolarHBondContact CB-OG 3.4Å; A95-S102 PolarHBondContact N-OG 2.66Å
103F95.2Very high92.7Very high4 Ų458.2 Ų58.22%0.01830%0.297CS..BIsolated β-bridgetrans-154.9160.217954.9-97.4000113.5A89 Y91 D92 Y93 L101 E107 F109 I133 P134 Y137A89-F103 HydrophobicContact CB-CD2 3.56Å; A89-F103 HydrophobicContact CB-CE2 3.78Å; Y91-F103 WeakPolarHBondContact O-CE2 3.25Å; D92-F103 WeakPolarHBondContact CA-O 3.31Å; Y93-F103 AromaticContact CD1-CD1 3.9Å; Y93-F103 HydrophobicContact CD1-CD1 3.9Å; Y93-F103 AromaticContact CD1-CE1 3.4Å; Y93-F103 HydrophobicContact CD1-CE1 3.4Å; Y93-F103 VanDerWaalsContact CD1-CE1 3.4Å; Y93-F103 AromaticContact CD1-CZ 3.97Å; Y93-F103 HydrophobicContact CD1-CZ 3.97Å; Y93-F103 HydrophobicContact CE1-CE1 4.36Å; Y93-F103 HydrophobicContact CG-CD1 4.42Å; Y93-F103 AromaticContact CG-CE1 3.75Å; Y93-F103 HydrophobicContact CG-CE1 3.75Å; Y93-F103 HydrophobicContact CG-CE2 4.5Å; Y93-F103 AromaticContact CG-CZ 3.81Å; Y93-F103 HydrophobicContact CG-CZ 3.81Å; Y93-F103 PolarHBondContact N-O 2.91Å; Y93-F103 PolarHBondContact O-N 2.82Å; L101-F103 VanDerWaalsContact O-CD1 3.29Å; L101-F103 WeakPolarHBondContact O-CD1 3.38Å; F103-E107 WeakPolarHBondContact CA-OE2 3.38Å; F103-E107 VanDerWaalsContact CB-OE2 3.31Å; F103-E107 WeakPolarHBondContact CB-OE2 3.42Å; F103-F109 HydrophobicContact CB-CE1 4.4Å; F103-F109 HydrophobicContact CB-CE2 4.36Å; F103-F109 HydrophobicContact CB-CZ 3.53Å; F103-F109 HydrophobicContact CD1-CE1 4.47Å; F103-F109 AromaticContact CD1-CZ 3.93Å; F103-F109 HydrophobicContact CD1-CZ 3.93Å; F103-F109 HydrophobicContact CD2-CE2 4.42Å; F103-F109 HydrophobicContact CD2-CZ 4.27Å; F103-F109 HydrophobicContact CG-CE2 4.26Å; F103-F109 AromaticContact CG-CZ 3.67Å; F103-F109 HydrophobicContact CG-CZ 3.67Å; F103-I133 HydrophobicContact CD1-CG2 3.87Å; F103-I133 HydrophobicContact CE1-CB 3.8Å; F103-I133 HydrophobicContact CE1-CG2 3.54Å; F103-I133 HydrophobicContact CZ-CB 4.45Å; F103-P134 HydrophobicContact CZ-CG 4.39Å; F103-Y137 HydrophobicContact CE2-CD1 4.23Å; F103-Y137 HydrophobicContact CZ-CD1 4.16Å; F103-Y137 HydrophobicContact CZ-CG 4.36Å
104H95.4Very high92.6Very high137 Ų13760.8 Ų60.863%0.63432%0.317SS*.  trans-103.8152175.9-63.7-58.8000111.9A89 D92 G106 E107A89-H104 WeakPolarHBondContact CB-O 3.36Å; D92-H104 VanDerWaalsContact OD1-CA 3.28Å; D92-H104 WeakPolarHBondContact OD1-CA 3.08Å; D92-H104 IonicContact OD1-ND1 2.8Å; H104-G106 PolarHBondContact O-N 3.21Å; H104-E107 PolarHBondContact N-OE2 2.88Å; H104-E107 VanDerWaalsContact N-OE2 3.17Å; H104-E107 WeakPolarHBondContact O-CB 3.23Å; H104-E107 PolarHBondContact O-N 3.38Å
105K93.5Very high92.4Very high108 Ų10857.8 Ų57.847%0.4731%0.312SS..THydrogen-bonded Turntrans-52.3132.8173.3-180176.6177.7-172.40110.7L90 D92 E107 E148L90-K105 WeakPolarHBondContact O-CD 3.3Å; L90-K105 WeakPolarHBondContact O-CE 3.23Å; L90-K105 WeakPolarHBondContact O-CG 3.11Å; D92-K105 PolarHBondContact OD1-N 3.4Å; K105-E107 VanDerWaalsContact C-N 3.34Å; K105-E148 WeakPolarHBondContact CE-OE1 3.29Å; K105-E148 IonicContact NZ-OE1 3.36Å; K105-E148 PolarHBondContact NZ-OE1 3.33Å
106G93.9Very high91.7Very high43 Ų4359.8 Ų59.844%0.44332%0.318SS..THydrogen-bonded Turntrans90-10-178.300000114.6A89 H104A89-G106 PolarHBondContact O-N 3Å; H104-G106 PolarHBondContact O-N 3.21Å
107E96.2Very high91.4Very high19 Ų1958.7 Ų58.79%0.08932%0.32CS..  trans-62.8144.9173.7-170.6165.2171.700111.6V88 A89 F103 H104 K105 F109 S124V88-E107 CarbonylContact C-O 3.54Å; V88-E107 WeakPolarHBondContact CA-O 3.5Å; A89-E107 HydrophobicContact CB-CB 4.38Å; A89-E107 PolarHBondContact N-O 2.9Å; F103-E107 WeakPolarHBondContact CA-OE2 3.38Å; F103-E107 VanDerWaalsContact CB-OE2 3.31Å; F103-E107 WeakPolarHBondContact CB-OE2 3.42Å; H104-E107 PolarHBondContact N-OE2 2.88Å; H104-E107 VanDerWaalsContact N-OE2 3.17Å; H104-E107 WeakPolarHBondContact O-CB 3.23Å; H104-E107 PolarHBondContact O-N 3.38Å; K105-E107 VanDerWaalsContact C-N 3.34Å; E107-F109 HydrophobicContact CB-CE2 4Å; E107-F109 HydrophobicContact CB-CZ 4.13Å; E107-F109 HydrophobicContact CG-CE2 4.02Å; E107-F109 HydrophobicContact CG-CZ 3.79Å; E107-F109 WeakPolarHBondContact O-CE2 3.33Å; E107-S124 WeakPolarHBondContact OE1-CB 3.46Å; E107-S124 PolarHBondContact OE1-OG 2.88Å
108K96.8Very high91.3Very high94 Ų9460 Ų6041%0.40933%0.326SS..EExtended strand (participates in β ladder)trans-109.2142.9-174.7-63.8-176.4-177.4-179.20111.8F87 L125 V141F87-K108 CarbonylContact O-C 3.57Å; F87-K108 WeakPolarHBondContact O-CA 3.44Å; K108-L125 HydrophobicContact CB-CB 4.46Å; K108-L125 HydrophobicContact CB-CD1 4.02Å; K108-L125 HydrophobicContact CB-CG 4.5Å; K108-L125 WeakPolarHBondContact O-CB 3.49Å; K108-L125 WeakPolarHBondContact O-CG 3.45Å; K108-L125 PolarHBondContact O-N 2.78Å; K108-V141 HydrophobicContact CD-CG2 4.46Å
109F96.3Very high91.3Very high0 Ų050.7 Ų50.70%028%0.282CS..EExtended strand (participates in β ladder)trans-127.8145.6-174.9-62-85.5000112.1F87 A89 F103 E107 I111 A122 R123 I133 V138F87-F109 HydrophobicContact CB-CB 4.42Å; F87-F109 PolarHBondContact N-O 2.77Å; F87-F109 PolarHBondContact O-N 3.04Å; A89-F109 HydrophobicContact CB-CE2 3.94Å; F103-F109 HydrophobicContact CB-CE1 4.4Å; F103-F109 HydrophobicContact CB-CE2 4.36Å; F103-F109 HydrophobicContact CB-CZ 3.53Å; F103-F109 HydrophobicContact CD1-CE1 4.47Å; F103-F109 AromaticContact CD1-CZ 3.93Å; F103-F109 HydrophobicContact CD1-CZ 3.93Å; F103-F109 HydrophobicContact CD2-CE2 4.42Å; F103-F109 HydrophobicContact CD2-CZ 4.27Å; F103-F109 HydrophobicContact CG-CE2 4.26Å; F103-F109 AromaticContact CG-CZ 3.67Å; F103-F109 HydrophobicContact CG-CZ 3.67Å; E107-F109 HydrophobicContact CB-CE2 4Å; E107-F109 HydrophobicContact CB-CZ 4.13Å; E107-F109 HydrophobicContact CG-CE2 4.02Å; E107-F109 HydrophobicContact CG-CZ 3.79Å; E107-F109 WeakPolarHBondContact O-CE2 3.33Å; F109-I111 HydrophobicContact CB-CD1 4.46Å; F109-A122 HydrophobicContact CB-CB 4.21Å; F109-A122 HydrophobicContact CD1-CB 3.98Å; F109-A122 HydrophobicContact CG-CB 4.4Å; F109-R123 WeakPolarHBondContact CA-O 3.42Å; F109-I133 HydrophobicContact CB-CD1 4.49Å; F109-I133 HydrophobicContact CD1-CD1 4.3Å; F109-I133 HydrophobicContact CD2-CD1 4.45Å; F109-I133 HydrophobicContact CE1-CG2 4.37Å; F109-I133 HydrophobicContact CG-CD1 4.13Å; F109-V138 HydrophobicContact CD2-CG1 4.18Å
110Q95.7Very high91.5Very high61 Ų6149.9 Ų49.929%0.28528%0.275SS..EExtended strand (participates in β ladder)trans-97.5120.4156.8174.9174.517.600108V84 L112 A122 R123 L125V84-Q110 HydrophobicContact CG1-CG 3.71Å; Q110-L112 HydrophobicContact CG-CD2 4.24Å; Q110-L112 PolarHBondContact O-N 3.04Å; Q110-A122 CarbonylContact O-C 3.5Å; Q110-A122 WeakPolarHBondContact O-CA 3.39Å; Q110-R123 PolarHBondContact N-O 2.74Å; Q110-R123 PolarHBondContact O-N 2.91Å; Q110-L125 HydrophobicContact CB-CD2 4.35Å
111I93.9Very high91.7Very high33 Ų3352.4 Ų52.417%0.16929%0.287CS..EExtended strand (participates in β ladder)trans-75.9122.9173.7-53.9-55.9000108.4F87 F109 W120 A122 I133F87-I111 HydrophobicContact CB-CD1 4.37Å; F87-I111 HydrophobicContact CB-CG1 4.43Å; F87-I111 HydrophobicContact CD1-CG1 4.5Å; F87-I111 HydrophobicContact CD2-CD1 4.22Å; F87-I111 HydrophobicContact CD2-CG1 3.39Å; F87-I111 HydrophobicContact CE2-CG1 3.63Å; F87-I111 HydrophobicContact CG-CD1 4.22Å; F87-I111 HydrophobicContact CG-CG1 3.87Å; F87-I111 HydrophobicContact CZ-CG1 4.29Å; F109-I111 HydrophobicContact CB-CD1 4.46Å; I111-W120 HydrophobicContact CD1-CE3 3.96Å; I111-W120 HydrophobicContact CG1-CE3 4.19Å; I111-W120 HydrophobicContact CG2-CB 4.29Å; I111-W120 HydrophobicContact CG2-CE3 4.41Å; I111-A122 HydrophobicContact CD1-CB 3.93Å; I111-I133 HydrophobicContact CD1-CD1 3.98Å
112L92.9Very high91.8Very high80 Ų8051.9 Ų51.942%0.41928%0.284SS..EExtended strand (participates in β ladder)trans-91-42.2178.7-57.9-179.6000110.4Q110 E121 R123 T130Q110-L112 HydrophobicContact CG-CD2 4.24Å; Q110-L112 PolarHBondContact O-N 3.04Å; L112-E121 HydrophobicContact CB-CB 4.46Å; L112-E121 HydrophobicContact CB-CG 4.3Å; L112-E121 HydrophobicContact CD1-CG 4.37Å; L112-E121 PolarHBondContact N-O 3.37Å; L112-R123 HydrophobicContact CD1-CB 4.21Å; L112-R123 HydrophobicContact CD2-CB 4.35Å; L112-R123 HydrophobicContact CG-CB 4.35Å; L112-T130 HydrophobicContact CD1-CG2 3.83Å
113N91.3Very high91.9Very high60 Ų6054.3 Ų54.332%0.32128%0.283SS..EExtended strand (participates in β ladder)trans-147128.3177.6-171.72.9000111.6S115 W120 E121N113-S115 PolarHBondContact ND2-OG 3.46Å; N113-S115 VanDerWaalsContact ND2-OG 3.1Å; N113-S115 VanDerWaalsContact OD1-CB 3.28Å; N113-S115 WeakPolarHBondContact OD1-CB 3.36Å; N113-S115 PolarHBondContact OD1-N 2.88Å; N113-S115 PolarHBondContact OD1-OG 3.46Å; N113-W120 CarbonylContact O-C 3.58Å; N113-W120 WeakPolarHBondContact O-CA 3.42Å; N113-E121 HydrophobicContact CB-CB 3.93Å; N113-E121 PolarHBondContact N-O 3.49Å; N113-E121 VanDerWaalsContact N-O 3.12Å; N113-E121 PolarHBondContact O-N 3.23Å
114S89.5Confident92Very high69 Ų6954.2 Ų54.248%0.48328%0.283SS..  trans-113.912.7177.1670000113.5E116S114-E116 PolarHBondContact O-N 2.89Å
115S86.4Confident92Very high79 Ų7951.9 Ų51.955%0.55228%0.275SS*.THydrogen-bonded Turntrans-67.2-26.2-178.564.70000112.9N113 G117N113-S115 PolarHBondContact ND2-OG 3.46Å; N113-S115 VanDerWaalsContact ND2-OG 3.1Å; N113-S115 VanDerWaalsContact OD1-CB 3.28Å; N113-S115 WeakPolarHBondContact OD1-CB 3.36Å; N113-S115 PolarHBondContact OD1-N 2.88Å; N113-S115 PolarHBondContact OD1-OG 3.46Å; S115-G117 PolarHBondContact O-N 2.9Å
116E76.7Confident92Very high62 Ų6251.8 Ų51.829%0.2928%0.284SS..THydrogen-bonded Turntrans-82.628.2-171.3-70.5-55.6150.400114.8S114 D118 W119 Y132 V258 K261S114-E116 PolarHBondContact O-N 2.89Å; E116-D118 PolarHBondContact O-N 3.26Å; E116-W119 CarbonylContact C-O 3.47Å; E116-W119 WeakPolarHBondContact CB-O 3.03Å; E116-W119 PolarHBondContact O-N 3.26Å; E116-Y132 HydrophobicContact CG-CE1 4.5Å; E116-V258 HydrophobicContact CB-CG2 4.44Å; E116-V258 HydrophobicContact CG-CG2 4.5Å; E116-K261 PolarHBondContact O-NZ 3.3Å; E116-K261 IonicContact OE2-NZ 2.78Å; E116-K261 PolarHBondContact OE2-NZ 3.18Å
117G80.9Confident92Very high20 Ų2053.4 Ų53.421%0.20629%0.285CS..THydrogen-bonded Turntrans66.7-105.8169.600000112.8S115 W120S115-G117 PolarHBondContact O-N 2.9Å; G117-W120 PolarHBondContact O-NE1 3.46Å
118D85Confident92Very high50 Ų5054.6 Ų54.627%0.26730%0.302SS..THydrogen-bonded Turntrans-81.2-14-177.9-68.5-15.2000113.1E116 S135 T254E116-D118 PolarHBondContact O-N 3.26Å; D118-S135 PolarHBondContact O-N 2.76Å; D118-S135 PolarHBondContact O-OG 2.99Å; D118-T254 PolarHBondContact OD2-OG1 2.93Å
119W89.6Confident91.9Very high3 Ų355.7 Ų55.71%0.01131%0.309CS..EExtended strand (participates in β ladder)trans-116.9125.9177.5-65.988.9000109.6Y93 E116 Y132 P134 L253 S257 V258Y93-W119 WeakPolarHBondContact OH-CH2 3.27Å; Y93-W119 WeakPolarHBondContact OH-CZ3 3.47Å; E116-W119 CarbonylContact C-O 3.47Å; E116-W119 WeakPolarHBondContact CB-O 3.03Å; E116-W119 PolarHBondContact O-N 3.26Å; W119-Y132 HydrophobicContact CB-CD1 4.38Å; W119-P134 HydrophobicContact CZ3-CB 4.41Å; W119-L253 HydrophobicContact CH2-CD1 3.94Å; W119-L253 HydrophobicContact CZ2-CD1 4.17Å; W119-S257 VanDerWaalsContact CZ2-CA 3.45Å; W119-V258 HydrophobicContact CB-CB 3.99Å; W119-V258 HydrophobicContact CB-CG2 4.05Å; W119-V258 HydrophobicContact CD2-CB 4.43Å; W119-V258 HydrophobicContact CG-CB 3.99Å; W119-V258 HydrophobicContact CG-CG2 4.47Å
120W93.6Very high91.9Very high38 Ų3859.1 Ų59.114%0.14433%0.329CS..EExtended strand (participates in β ladder)trans-116.1138.5179.2-65.4-10.6000110F87 I111 N113 G117 Y132 I133 S135 V138F87-W120 HydrophobicContact CD1-CZ3 4.15Å; F87-W120 HydrophobicContact CE1-CH2 4.26Å; F87-W120 AromaticContact CE1-CZ3 3.61Å; F87-W120 HydrophobicContact CE1-CZ3 3.61Å; F87-W120 HydrophobicContact CZ-CZ3 4.07Å; I111-W120 HydrophobicContact CD1-CE3 3.96Å; I111-W120 HydrophobicContact CG1-CE3 4.19Å; I111-W120 HydrophobicContact CG2-CB 4.29Å; I111-W120 HydrophobicContact CG2-CE3 4.41Å; N113-W120 CarbonylContact O-C 3.58Å; N113-W120 WeakPolarHBondContact O-CA 3.42Å; G117-W120 PolarHBondContact O-NE1 3.46Å; W120-Y132 CarbonylContact O-C 3.43Å; W120-Y132 WeakPolarHBondContact O-CA 3.15Å; W120-I133 HydrophobicContact CB-CG1 4.45Å; W120-I133 PolarHBondContact N-O 2.8Å; W120-I133 WeakPolarHBondContact O-CG1 3.33Å; W120-I133 PolarHBondContact O-N 3.26Å; W120-S135 VanDerWaalsContact CD2-CB 3.44Å; W120-V138 HydrophobicContact CE3-CG2 4.19Å; W120-V138 HydrophobicContact CZ3-CG2 4.13Å
121E94.8Very high91.8Very high64 Ų6456.6 Ų56.630%0.29932%0.32SS..EExtended strand (participates in β ladder)trans-77.8125.6170.8-168-175.7-177.800108.5L112 N113 Y132L112-E121 HydrophobicContact CB-CB 4.46Å; L112-E121 HydrophobicContact CB-CG 4.3Å; L112-E121 HydrophobicContact CD1-CG 4.37Å; L112-E121 PolarHBondContact N-O 3.37Å; N113-E121 HydrophobicContact CB-CB 3.93Å; N113-E121 PolarHBondContact N-O 3.49Å; N113-E121 VanDerWaalsContact N-O 3.12Å; N113-E121 PolarHBondContact O-N 3.23Å; E121-Y132 HydrophobicContact CB-CD1 4.26Å; E121-Y132 HydrophobicContact CB-CE1 4.04Å
122A95.6Very high91.8Very high0 Ų057.8 Ų57.80%032%0.323CS..EExtended strand (participates in β ladder)trans-135.2155.5-175.900000111.4L101 F109 Q110 I111 T130 G131 I133L101-A122 WeakPolarHBondContact CD1-O 3.33Å; F109-A122 HydrophobicContact CB-CB 4.21Å; F109-A122 HydrophobicContact CD1-CB 3.98Å; F109-A122 HydrophobicContact CG-CB 4.4Å; Q110-A122 CarbonylContact O-C 3.5Å; Q110-A122 WeakPolarHBondContact O-CA 3.39Å; I111-A122 HydrophobicContact CD1-CB 3.93Å; A122-T130 VanDerWaalsContact O-CA 3.28Å; A122-T130 WeakPolarHBondContact O-CA 3.4Å; A122-G131 PolarHBondContact N-O 3.43Å; A122-G131 PolarHBondContact O-N 3.31Å; A122-G131 VanDerWaalsContact O-N 3.08Å; A122-I133 HydrophobicContact CB-CD1 3.5Å; A122-I133 VanDerWaalsContact CB-CD1 3.5Å; A122-I133 HydrophobicContact CB-CG1 3.74Å; A122-I133 HydrophobicContact CB-CG2 4.28Å
123R96.6Very high91.9Very high117 Ų11754 Ų5444%0.44230%0.303SS..EExtended strand (participates in β ladder)trans-106.7124.9165.7177.6174.3-93174.8-4.5109.2F109 Q110 L112 E129 T130F109-R123 WeakPolarHBondContact CA-O 3.42Å; Q110-R123 PolarHBondContact N-O 2.74Å; Q110-R123 PolarHBondContact O-N 2.91Å; L112-R123 HydrophobicContact CD1-CB 4.21Å; L112-R123 HydrophobicContact CD2-CB 4.35Å; L112-R123 HydrophobicContact CG-CB 4.35Å; R123-E129 CarbonylContact C-O 3.56Å; R123-E129 VanDerWaalsContact CA-O 3.32Å; R123-E129 WeakPolarHBondContact CA-O 3.25Å; R123-T130 HydrophobicContact CB-CG2 3.92Å; R123-T130 HydrophobicContact CG-CG2 4.1Å
124S96.7Very high92Very high2 Ų251.1 Ų51.11%0.01429%0.288CS..EExtended strand (participates in β ladder)trans-67.2131168167.90000109.9E107 T126 T127 G128 E129E107-S124 WeakPolarHBondContact OE1-CB 3.46Å; E107-S124 PolarHBondContact OE1-OG 2.88Å; S124-T126 VanDerWaalsContact C-N 3.28Å; S124-T126 PolarHBondContact OG-N 3.36Å; S124-T127 VanDerWaalsContact CB-OG1 3.28Å; S124-T127 WeakPolarHBondContact CB-OG1 3.42Å; S124-T127 PolarHBondContact OG-N 3.1Å; S124-T127 PolarHBondContact OG-OG1 2.65Å; S124-G128 VanDerWaalsContact O-CA 3.22Å; S124-G128 WeakPolarHBondContact O-CA 3.48Å; S124-G128 PolarHBondContact O-N 2.97Å; S124-E129 PolarHBondContact N-O 3.23Å
125L94.9Very high92.1Very high88 Ų8848.5 Ų48.546%0.46127%0.269SS..THydrogen-bonded Turntrans-80.4-12.3171.9-60.1-174.6000112.8L86 K108 Q110L86-L125 HydrophobicContact CD1-CD1 4.23Å; L86-L125 HydrophobicContact CD2-CD1 3.88Å; K108-L125 HydrophobicContact CB-CB 4.46Å; K108-L125 HydrophobicContact CB-CD1 4.02Å; K108-L125 HydrophobicContact CB-CG 4.5Å; K108-L125 WeakPolarHBondContact O-CB 3.49Å; K108-L125 WeakPolarHBondContact O-CG 3.45Å; K108-L125 PolarHBondContact O-N 2.78Å; Q110-L125 HydrophobicContact CB-CD2 4.35Å
126T94.8Very high92.2Very high106 Ų10647.6 Ų47.665%0.6526%0.258SS*.THydrogen-bonded Turntrans-89.2-49.2178.6-58.10000111.1S124S124-T126 VanDerWaalsContact C-N 3.28Å; S124-T126 PolarHBondContact OG-N 3.36Å
127T94.6Very high93Very high77 Ų7744.8 Ų44.847%0.47225%0.245SC..THydrogen-bonded Turntrans-95.4-22.9-176.869.60000112.9S124 E129S124-T127 VanDerWaalsContact CB-OG1 3.28Å; S124-T127 WeakPolarHBondContact CB-OG1 3.42Å; S124-T127 PolarHBondContact OG-N 3.1Å; S124-T127 PolarHBondContact OG-OG1 2.65Å; T127-E129 PolarHBondContact O-N 3Å; T127-E129 WeakPolarHBondContact OG1-CB 3.45Å; T127-E129 PolarHBondContact OG1-N 2.91Å
128G94.7Very high93.5Very high43 Ų4344.4 Ų44.444%0.44324%0.239SC..  trans79.7-5.9-173.500000114.3S124S124-G128 VanDerWaalsContact O-CA 3.22Å; S124-G128 WeakPolarHBondContact O-CA 3.48Å; S124-G128 PolarHBondContact O-N 2.97Å
129E95.7Very high93.9Very high118 Ų11842.1 Ų42.155%0.55123%0.227SC*.  trans-73157.9-179.6-62179.9151.900111.9L101 R123 S124 T127L101-E129 HydrophobicContact CD2-CB 3.74Å; R123-E129 CarbonylContact C-O 3.56Å; R123-E129 VanDerWaalsContact CA-O 3.32Å; R123-E129 WeakPolarHBondContact CA-O 3.25Å; S124-E129 PolarHBondContact N-O 3.23Å; T127-E129 PolarHBondContact O-N 3Å; T127-E129 WeakPolarHBondContact OG1-CB 3.45Å; T127-E129 PolarHBondContact OG1-N 2.91Å
130T95.5Very high94.2Very high71 Ų7144 Ų4444%0.43624%0.239SC..EExtended strand (participates in β ladder)trans-125.3144-179.954.90000110.7L112 A122 R123L112-T130 HydrophobicContact CD1-CG2 3.83Å; A122-T130 VanDerWaalsContact O-CA 3.28Å; A122-T130 WeakPolarHBondContact O-CA 3.4Å; R123-T130 HydrophobicContact CB-CG2 3.92Å; R123-T130 HydrophobicContact CG-CG2 4.1Å
131G94.9Very high94Very high9 Ų944 Ų449%0.09324%0.244CC..EExtended strand (participates in β ladder)trans169.1-173.3175.900000110.7D99 L101 A122D99-G131 CarbonylContact O-C 3.56Å; D99-G131 VanDerWaalsContact O-CA 3.32Å; D99-G131 WeakPolarHBondContact O-CA 3.23Å; L101-G131 VanDerWaalsContact CD1-N 3.28Å; A122-G131 PolarHBondContact N-O 3.43Å; A122-G131 PolarHBondContact O-N 3.31Å; A122-G131 VanDerWaalsContact O-N 3.08Å
132Y94.2Very high93.6Very high57 Ų5748.6 Ų48.622%0.22427%0.27CS..EExtended strand (participates in β ladder)trans-82.6140-176.4-67.6-79.9000112D99 D100 L101 E116 W119 W120 E121 V258D99-Y132 HydrophobicContact CB-CD2 3.95Å; D99-Y132 HydrophobicContact CB-CE2 4.38Å; D99-Y132 PolarHBondContact O-N 2.64Å; D100-Y132 CarbonylContact C-O 3.6Å; D100-Y132 WeakPolarHBondContact CA-O 3.5Å; L101-Y132 PolarHBondContact N-O 3.49Å; E116-Y132 HydrophobicContact CG-CE1 4.5Å; W119-Y132 HydrophobicContact CB-CD1 4.38Å; W120-Y132 CarbonylContact O-C 3.43Å; W120-Y132 WeakPolarHBondContact O-CA 3.15Å; E121-Y132 HydrophobicContact CB-CD1 4.26Å; E121-Y132 HydrophobicContact CB-CE1 4.04Å; Y132-V258 HydrophobicContact CD1-CB 4.39Å; Y132-V258 HydrophobicContact CD1-CG1 4.5Å; Y132-V258 HydrophobicContact CD1-CG2 4.21Å; Y132-V258 HydrophobicContact CD2-CB 4.46Å; Y132-V258 HydrophobicContact CD2-CG1 3.75Å; Y132-V258 HydrophobicContact CE1-CG2 4.08Å; Y132-V258 HydrophobicContact CE2-CG1 3.93Å; Y132-V258 HydrophobicContact CG-CB 4.28Å; Y132-V258 HydrophobicContact CG-CG1 4.04Å
133I94.3Very high93.3Very high0 Ų049.5 Ų49.50%028%0.277CS..EExtended strand (participates in β ladder)trans-127.1147.517262.8170.4000109.5L101 F103 F109 I111 W120 A122 S135 V138L101-I133 HydrophobicContact CB-CG2 3.97Å; L101-I133 HydrophobicContact CD1-CG2 4.32Å; F103-I133 HydrophobicContact CD1-CG2 3.87Å; F103-I133 HydrophobicContact CE1-CB 3.8Å; F103-I133 HydrophobicContact CE1-CG2 3.54Å; F103-I133 HydrophobicContact CZ-CB 4.45Å; F109-I133 HydrophobicContact CB-CD1 4.49Å; F109-I133 HydrophobicContact CD1-CD1 4.3Å; F109-I133 HydrophobicContact CD2-CD1 4.45Å; F109-I133 HydrophobicContact CE1-CG2 4.37Å; F109-I133 HydrophobicContact CG-CD1 4.13Å; I111-I133 HydrophobicContact CD1-CD1 3.98Å; W120-I133 HydrophobicContact CB-CG1 4.45Å; W120-I133 PolarHBondContact N-O 2.8Å; W120-I133 WeakPolarHBondContact O-CG1 3.33Å; W120-I133 PolarHBondContact O-N 3.26Å; A122-I133 HydrophobicContact CB-CD1 3.5Å; A122-I133 VanDerWaalsContact CB-CD1 3.5Å; A122-I133 HydrophobicContact CB-CG1 3.74Å; A122-I133 HydrophobicContact CB-CG2 4.28Å; I133-S135 PolarHBondContact O-N 2.98Å; I133-V138 HydrophobicContact CD1-CG1 3.74Å; I133-V138 HydrophobicContact CD1-CG2 4.16Å
134P92.4Very high93.1Very high0 Ų045.1 Ų45.10%026%0.262CS..EExtended strand (participates in β ladder)trans-70.4124.7173.126-30.7000110.6Y93 F103 W119 N136 Y137 L253Y93-P134 HydrophobicContact CD2-CG 3.84Å; Y93-P134 HydrophobicContact CE2-CG 3.92Å; Y93-P134 HydrophobicContact CG-CG 4.19Å; F103-P134 HydrophobicContact CZ-CG 4.39Å; W119-P134 HydrophobicContact CZ3-CB 4.41Å; P134-N136 PolarHBondContact O-N 2.83Å; P134-Y137 HydrophobicContact CB-CD2 3.84Å; P134-Y137 HydrophobicContact CB-CE2 4.38Å; P134-Y137 HydrophobicContact CB-CG 4.33Å; P134-Y137 HydrophobicContact CG-CD1 4.2Å; P134-Y137 HydrophobicContact CG-CD2 3.57Å; P134-Y137 HydrophobicContact CG-CE2 4.14Å; P134-Y137 HydrophobicContact CG-CG 3.63Å; P134-Y137 WeakPolarHBondContact O-CB 3.39Å; P134-Y137 PolarHBondContact O-N 3.36Å; P134-L253 HydrophobicContact CB-CD2 3.33Å; P134-L253 HydrophobicContact CG-CD2 3.87Å
135S91.9Very high92.8Very high14 Ų1448.8 Ų48.810%0.09828%0.278CS..G310 helixtrans-63.7-27.9-173.466.70000113.2D118 W120 I133 Y137 V138D118-S135 PolarHBondContact O-N 2.76Å; D118-S135 PolarHBondContact O-OG 2.99Å; W120-S135 VanDerWaalsContact CD2-CB 3.44Å; I133-S135 PolarHBondContact O-N 2.98Å; S135-Y137 PolarHBondContact O-N 2.96Å; S135-V138 WeakPolarHBondContact O-CG2 3.35Å; S135-V138 PolarHBondContact O-N 3.21Å
136N89Confident92.6Very high61 Ų6145.7 Ų45.733%0.32627%0.266SS..G310 helixtrans-78.3-1.6176.766.5-24.7000114.2P134 R252P134-N136 PolarHBondContact O-N 2.83Å; N136-R252 PolarHBondContact ND2-O 3.09Å; N136-R252 VanDerWaalsContact ND2-O 3.11Å
137Y92.4Very high92.5Very high2 Ų243.1 Ų43.11%0.00825%0.247CC..G310 helixtrans-96.2-5.7174.1-80.1-128.3000112.4L90 Y91 D92 Y93 F103 P134 S135 M250 P251 L253L90-Y137 WeakPolarHBondContact CB-O 3.39Å; L90-Y137 PolarHBondContact N-O 3.16Å; Y91-Y137 HydrophobicContact CD2-CD1 4.19Å; Y91-Y137 HydrophobicContact CD2-CG 4.22Å; Y91-Y137 HydrophobicContact CG-CD1 4.47Å; D92-Y137 WeakPolarHBondContact O-CE1 3.4Å; Y93-Y137 HydrophobicContact CD2-CD1 4.32Å; Y93-Y137 HydrophobicContact CD2-CE1 4.01Å; Y93-Y137 HydrophobicContact CG-CD1 4.43Å; Y93-Y137 HydrophobicContact CG-CE1 4.47Å; F103-Y137 HydrophobicContact CE2-CD1 4.23Å; F103-Y137 HydrophobicContact CZ-CD1 4.16Å; F103-Y137 HydrophobicContact CZ-CG 4.36Å; P134-Y137 HydrophobicContact CB-CD2 3.84Å; P134-Y137 HydrophobicContact CB-CE2 4.38Å; P134-Y137 HydrophobicContact CB-CG 4.33Å; P134-Y137 HydrophobicContact CG-CD1 4.2Å; P134-Y137 HydrophobicContact CG-CD2 3.57Å; P134-Y137 HydrophobicContact CG-CE2 4.14Å; P134-Y137 HydrophobicContact CG-CG 3.63Å; P134-Y137 WeakPolarHBondContact O-CB 3.39Å; P134-Y137 PolarHBondContact O-N 3.36Å; S135-Y137 PolarHBondContact O-N 2.96Å; Y137-M250 HydrophobicContact CE1-CG 3.91Å; Y137-M250 HydrophobicContact CE1-SD 4.05Å; Y137-M250 VanDerWaalsContact OH-CG 3.22Å; Y137-M250 WeakPolarHBondContact OH-CG 3.35Å; Y137-P251 HydrophobicContact CD2-CG 3.76Å; Y137-P251 HydrophobicContact CE2-CB 4.35Å; Y137-P251 HydrophobicContact CE2-CG 3.56Å; Y137-P251 WeakPolarHBondContact CE2-O 3.25Å; Y137-P251 HydrophobicContact CG-CG 4.44Å; Y137-P251 PolarHBondContact OH-O 3.09Å; Y137-L253 HydrophobicContact CD2-CD2 3.99Å; Y137-L253 HydrophobicContact CE2-CD2 3.38Å; Y137-L253 HydrophobicContact CE2-CG 4.2Å
138V93.2Very high92.4Very high13 Ų1344.4 Ų44.48%0.07925%0.247CC..EExtended strand (participates in β ladder)trans-125.2154.1-177-66.30000112.3F87 V88 F109 W120 I133 S135F87-V138 HydrophobicContact CB-CB 4.24Å; F87-V138 HydrophobicContact CD1-CB 4.25Å; F87-V138 HydrophobicContact CD1-CG2 4.01Å; V88-V138 VanDerWaalsContact O-CA 3.25Å; V88-V138 WeakPolarHBondContact O-CA 3.03Å; F109-V138 HydrophobicContact CD2-CG1 4.18Å; W120-V138 HydrophobicContact CE3-CG2 4.19Å; W120-V138 HydrophobicContact CZ3-CG2 4.13Å; I133-V138 HydrophobicContact CD1-CG1 3.74Å; I133-V138 HydrophobicContact CD1-CG2 4.16Å; S135-V138 WeakPolarHBondContact O-CG2 3.35Å; S135-V138 PolarHBondContact O-N 3.21Å
139A93.4Very high92.4Very high2 Ų243.1 Ų43.12%0.01723%0.229CC..EExtended strand (participates in β ladder)trans-136.7154.5169.800000110.3F87 V88 L90 V141 Q145 A146F87-A139 CarbonylContact C-O 3.57Å; F87-A139 VanDerWaalsContact CA-O 3.23Å; F87-A139 WeakPolarHBondContact CA-O 3.41Å; F87-A139 VanDerWaalsContact CD1-C 3.4Å; V88-A139 PolarHBondContact N-O 2.92Å; V88-A139 PolarHBondContact O-N 3.45Å; L90-A139 HydrophobicContact CD1-CB 4.14Å; L90-A139 HydrophobicContact CD2-CB 3.96Å; L90-A139 HydrophobicContact CG-CB 4.32Å; A139-V141 PolarHBondContact O-N 2.89Å; A139-Q145 VanDerWaalsContact CB-C 3.46Å; A139-Q145 HydrophobicContact CB-CB 3.6Å; A139-A146 HydrophobicContact CB-CB 4.19Å
140P94.2Very high92.3Very high41 Ų4138 Ų3827%0.26621%0.205SC..EExtended strand (participates in β ladder)trans-57.8135.8169.6-17.627.2000110.6T85 L86 F87 D142 S143T85-P140 HydrophobicContact CG2-CB 4.05Å; L86-P140 WeakPolarHBondContact O-CA 3.44Å; F87-P140 HydrophobicContact CD1-CG 4.23Å; F87-P140 HydrophobicContact CE1-CB 4.42Å; F87-P140 HydrophobicContact CE1-CG 3.65Å; F87-P140 HydrophobicContact CZ-CG 3.93Å; P140-D142 VanDerWaalsContact C-N 3.29Å; P140-D142 PolarHBondContact O-N 2.86Å; P140-S143 WeakPolarHBondContact CD-OG 3.19Å; P140-S143 WeakPolarHBondContact O-CB 3.36Å; P140-S143 PolarHBondContact O-N 2.65Å; P140-S143 PolarHBondContact O-OG 2.85Å
141V90.6Very high92.2Very high40 Ų4036.2 Ų36.224%0.24219%0.191CC..THydrogen-bonded Turntrans-53.6-41.7-169.3172.60000113.2L86 V88 K108 A139L86-V141 HydrophobicContact CB-CG2 3.82Å; L86-V141 WeakPolarHBondContact O-CG2 3.29Å; L86-V141 PolarHBondContact O-N 2.91Å; V88-V141 HydrophobicContact CB-CG2 4.09Å; V88-V141 HydrophobicContact CG1-CG2 4.5Å; K108-V141 HydrophobicContact CD-CG2 4.46Å; A139-V141 PolarHBondContact O-N 2.89Å
142D85.7Confident92.1Very high160 Ų16036.4 Ų36.486%0.85619%0.193SC*.THydrogen-bonded Turntrans-99.417.7-175.3-56.3-46.1000113P140P140-D142 VanDerWaalsContact C-N 3.29Å; P140-D142 PolarHBondContact O-N 2.86Å
143S90.7Very high92Very high19 Ų1942 Ų4213%0.13322%0.218CC..SBendtrans-97.1156.4-178.275.10000112P140 Q145 A146P140-S143 WeakPolarHBondContact CD-OG 3.19Å; P140-S143 WeakPolarHBondContact O-CB 3.36Å; P140-S143 PolarHBondContact O-N 2.65Å; P140-S143 PolarHBondContact O-OG 2.85Å; S143-Q145 PolarHBondContact O-N 3.46Å; S143-Q145 PolarHBondContact OG-N 2.83Å; S143-Q145 PolarHBondContact OG-OE1 2.81Å; S143-A146 WeakPolarHBondContact O-CB 3.28Å; S143-A146 PolarHBondContact O-N 3Å
144I91.2Very high91.8Very high25 Ų2543.1 Ų43.113%0.12822%0.224CC..G310 helixtrans-61.2-24.4172.3-170.4166.2000112.4A146 E147 W149 Y150 L224I144-A146 PolarHBondContact O-N 3.25Å; I144-E147 HydrophobicContact CG1-CG 4.42Å; I144-E147 VanDerWaalsContact O-CB 3.28Å; I144-E147 WeakPolarHBondContact O-CB 3.4Å; I144-E147 WeakPolarHBondContact O-CG 3.34Å; I144-E147 PolarHBondContact O-N 3.21Å; I144-E147 VanDerWaalsContact O-N 3.07Å; I144-W149 HydrophobicContact CD1-CH2 3.95Å; I144-W149 HydrophobicContact CD1-CZ3 3.97Å; I144-W149 HydrophobicContact CG1-CH2 3.93Å; I144-W149 HydrophobicContact CG1-CZ3 4.1Å; I144-Y150 HydrophobicContact CD1-CD2 3.67Å; I144-Y150 HydrophobicContact CD1-CE2 3.93Å; I144-Y150 HydrophobicContact CD1-CG 4.11Å; I144-Y150 HydrophobicContact CG1-CD1 4.07Å; I144-Y150 HydrophobicContact CG1-CD2 3.75Å; I144-Y150 HydrophobicContact CG1-CE2 4.24Å; I144-Y150 HydrophobicContact CG1-CG 3.64Å; I144-Y150 HydrophobicContact CG2-CD1 4.28Å; I144-Y150 HydrophobicContact CG2-CE1 4.05Å; I144-Y150 VanDerWaalsContact O-CB 3.32Å; I144-Y150 WeakPolarHBondContact O-CB 3.43Å; I144-Y150 WeakPolarHBondContact O-CD1 2.99Å; I144-L224 HydrophobicContact CD1-CB 3.94Å; I144-L224 HydrophobicContact CD1-CD1 3.17Å; I144-L224 HydrophobicContact CD1-CG 4.13Å
145Q90.4Very high91.7Very high78 Ų7844 Ų4436%0.36423%0.233SC..G310 helixtrans-64.2-24176.1-67.380.8-7.500112.5A139 S143 E147 Y150A139-Q145 VanDerWaalsContact CB-C 3.46Å; A139-Q145 HydrophobicContact CB-CB 3.6Å; S143-Q145 PolarHBondContact O-N 3.46Å; S143-Q145 PolarHBondContact OG-N 2.83Å; S143-Q145 PolarHBondContact OG-OE1 2.81Å; Q145-E147 VanDerWaalsContact C-N 3.26Å; Q145-E147 PolarHBondContact O-N 2.84Å; Q145-Y150 HydrophobicContact CG-CE1 4.22Å
146A91.4Very high91.8Very high24 Ų2445.4 Ų45.420%0.19824%0.236CC..G310 helixtrans-74.5-16.4174.800000113.3V88 A139 S143 I144V88-A146 HydrophobicContact CG1-CB 3.88Å; A139-A146 HydrophobicContact CB-CB 4.19Å; S143-A146 WeakPolarHBondContact O-CB 3.28Å; S143-A146 PolarHBondContact O-N 3Å; I144-A146 PolarHBondContact O-N 3.25Å
147E93Very high91.8Very high52 Ų5243.9 Ų43.924%0.24323%0.226CC..  trans-75.9129.9-175.9-61.2-70162.700111.9I144 Q145 W149 Y150 Q225 K248I144-E147 HydrophobicContact CG1-CG 4.42Å; I144-E147 VanDerWaalsContact O-CB 3.28Å; I144-E147 WeakPolarHBondContact O-CB 3.4Å; I144-E147 WeakPolarHBondContact O-CG 3.34Å; I144-E147 PolarHBondContact O-N 3.21Å; I144-E147 VanDerWaalsContact O-N 3.07Å; Q145-E147 VanDerWaalsContact C-N 3.26Å; Q145-E147 PolarHBondContact O-N 2.84Å; E147-W149 HydrophobicContact CB-CD2 3.92Å; E147-W149 HydrophobicContact CB-CE3 4.36Å; E147-W149 HydrophobicContact CB-CG 4.43Å; E147-W149 HydrophobicContact CB-CH2 4.11Å; E147-W149 HydrophobicContact CB-CZ2 3.64Å; E147-W149 HydrophobicContact CB-CZ3 4.44Å; E147-W149 HydrophobicContact CG-CH2 3.95Å; E147-W149 HydrophobicContact CG-CZ2 3.42Å; E147-W149 VanDerWaalsContact CG-CZ2 3.42Å; E147-W149 PolarHBondContact O-N 3.06Å; E147-W149 PolarHBondContact OE2-NE1 3.05Å; E147-Y150 PolarHBondContact O-N 2.82Å; E147-Y150 VanDerWaalsContact O-N 3.09Å; E147-Q225 HydrophobicContact CG-CG 4.44Å; E147-Q225 WeakPolarHBondContact OE1-CG 3.44Å; E147-Q225 PolarHBondContact OE1-NE2 3.43Å; E147-K248 PolarHBondContact O-NZ 2.86Å
148E90.9Very high91.6Very high103 Ų10345.5 Ų45.548%0.48124%0.235SC..THydrogen-bonded Turntrans-60.7-32.5-178.7-63.2-167.5156.300112.9K105 Y150 P245 K248K105-E148 WeakPolarHBondContact CE-OE1 3.29Å; K105-E148 IonicContact NZ-OE1 3.36Å; K105-E148 PolarHBondContact NZ-OE1 3.33Å; E148-Y150 VanDerWaalsContact C-N 3.35Å; E148-P245 HydrophobicContact CB-CB 4.43Å; E148-K248 WeakPolarHBondContact O-CD 3.41Å; E148-K248 WeakPolarHBondContact O-CE 3.43Å; E148-K248 PolarHBondContact O-NZ 2.99Å
149W94.4Very high91.6Very high16 Ų1644.9 Ų44.96%0.06123%0.232CC..THydrogen-bonded Turntrans-82.4-6.3-179.747.9-96.4000113.9I144 E147 F151 F173 L174 I175 L224 Q225 V228 P245I144-W149 HydrophobicContact CD1-CH2 3.95Å; I144-W149 HydrophobicContact CD1-CZ3 3.97Å; I144-W149 HydrophobicContact CG1-CH2 3.93Å; I144-W149 HydrophobicContact CG1-CZ3 4.1Å; E147-W149 HydrophobicContact CB-CD2 3.92Å; E147-W149 HydrophobicContact CB-CE3 4.36Å; E147-W149 HydrophobicContact CB-CG 4.43Å; E147-W149 HydrophobicContact CB-CH2 4.11Å; E147-W149 HydrophobicContact CB-CZ2 3.64Å; E147-W149 HydrophobicContact CB-CZ3 4.44Å; E147-W149 HydrophobicContact CG-CH2 3.95Å; E147-W149 HydrophobicContact CG-CZ2 3.42Å; E147-W149 VanDerWaalsContact CG-CZ2 3.42Å; E147-W149 PolarHBondContact O-N 3.06Å; E147-W149 PolarHBondContact OE2-NE1 3.05Å; W149-F151 WeakPolarHBondContact O-CD2 3.37Å; W149-F173 HydrophobicContact CB-CD2 4.26Å; W149-F173 HydrophobicContact CB-CE2 3.52Å; W149-F173 HydrophobicContact CB-CZ 3.98Å; W149-F173 AromaticContact CG-CE2 3.95Å; W149-F173 HydrophobicContact CG-CE2 3.95Å; W149-F173 HydrophobicContact CG-CZ 4.33Å; W149-L174 CarbonylContact O-C 3.57Å; W149-L174 WeakPolarHBondContact O-CA 3.27Å; W149-I175 HydrophobicContact CE3-CB 3.77Å; W149-I175 HydrophobicContact CE3-CD1 3.75Å; W149-I175 HydrophobicContact CE3-CG1 3.89Å; W149-I175 HydrophobicContact CH2-CD1 4.43Å; W149-I175 HydrophobicContact CZ3-CB 3.89Å; W149-I175 HydrophobicContact CZ3-CD1 3.59Å; W149-I175 HydrophobicContact CZ3-CG1 4.1Å; W149-I175 HydrophobicContact CZ3-CG2 4.32Å; W149-I175 PolarHBondContact O-N 3.43Å; W149-L224 HydrophobicContact CH2-CB 3.74Å; W149-L224 HydrophobicContact CZ3-CB 4.29Å; W149-Q225 HydrophobicContact CZ2-CG 4.11Å; W149-V228 HydrophobicContact CD2-CG2 3.88Å; W149-V228 HydrophobicContact CE3-CG2 4.03Å; W149-V228 HydrophobicContact CG-CG1 4.45Å; W149-V228 HydrophobicContact CG-CG2 4.5Å; W149-V228 HydrophobicContact CH2-CG2 4.17Å; W149-V228 HydrophobicContact CZ2-CB 4.49Å; W149-V228 HydrophobicContact CZ2-CG2 4.01Å; W149-V228 HydrophobicContact CZ3-CG2 4.18Å; W149-P245 HydrophobicContact CB-CB 3.97Å; W149-P245 HydrophobicContact CB-CG 4.18Å
150Y95.1Very high91.6Very high12 Ų1246.4 Ų46.45%0.04724%0.238CC..BIsolated β-bridgetrans-97.6115.1-176.8-179.8-108.1000113.7I144 Q145 E147 E148 I175 Y185 K248I144-Y150 HydrophobicContact CD1-CD2 3.67Å; I144-Y150 HydrophobicContact CD1-CE2 3.93Å; I144-Y150 HydrophobicContact CD1-CG 4.11Å; I144-Y150 HydrophobicContact CG1-CD1 4.07Å; I144-Y150 HydrophobicContact CG1-CD2 3.75Å; I144-Y150 HydrophobicContact CG1-CE2 4.24Å; I144-Y150 HydrophobicContact CG1-CG 3.64Å; I144-Y150 HydrophobicContact CG2-CD1 4.28Å; I144-Y150 HydrophobicContact CG2-CE1 4.05Å; I144-Y150 VanDerWaalsContact O-CB 3.32Å; I144-Y150 WeakPolarHBondContact O-CB 3.43Å; I144-Y150 WeakPolarHBondContact O-CD1 2.99Å; Q145-Y150 HydrophobicContact CG-CE1 4.22Å; E147-Y150 PolarHBondContact O-N 2.82Å; E147-Y150 VanDerWaalsContact O-N 3.09Å; E148-Y150 VanDerWaalsContact C-N 3.35Å; Y150-I175 CarbonylContact C-O 3.58Å; Y150-I175 WeakPolarHBondContact CA-O 3.34Å; Y150-I175 HydrophobicContact CD2-CB 4.46Å; Y150-I175 HydrophobicContact CD2-CG2 4.15Å; Y150-Y185 AromaticContact CE2-CD1 3.87Å; Y150-Y185 HydrophobicContact CE2-CD1 3.87Å; Y150-Y185 AromaticContact CE2-CE1 3.66Å; Y150-Y185 HydrophobicContact CE2-CE1 3.66Å; Y150-K248 WeakPolarHBondContact O-CE 3.19Å; Y150-K248 PolarHBondContact O-NZ 2.9Å
151F93.3Very high91.4Very high33 Ų3346.2 Ų46.215%0.14523%0.232CC..  trans-103.48.4-172.9-77.8-111.2000114.1W149 K153 L154 L174 I175 C246 K248W149-F151 WeakPolarHBondContact O-CD2 3.37Å; F151-K153 PolarHBondContact O-N 2.9Å; F151-L154 HydrophobicContact CB-CB 3.95Å; F151-L154 HydrophobicContact CB-CD2 3.89Å; F151-L154 HydrophobicContact CD1-CD2 3.82Å; F151-L154 HydrophobicContact CG-CD2 4.11Å; F151-L174 HydrophobicContact CD1-CD2 4.46Å; F151-L174 HydrophobicContact CD2-CB 3.44Å; F151-L174 VanDerWaalsContact CD2-CB 3.44Å; F151-L174 HydrophobicContact CD2-CD2 4.3Å; F151-L174 HydrophobicContact CD2-CG 4.33Å; F151-L174 HydrophobicContact CE2-CB 3.57Å; F151-L174 HydrophobicContact CE2-CD2 4.34Å; F151-L174 HydrophobicContact CG-CB 4.18Å; F151-L174 HydrophobicContact CG-CD2 4.33Å; F151-L174 HydrophobicContact CZ-CB 4.39Å; F151-L174 HydrophobicContact CZ-CD2 4.41Å; F151-I175 PolarHBondContact N-O 3.15Å; F151-C246 HydrophobicContact CE2-CB 4.1Å; F151-C246 HydrophobicContact CZ-CB 3.81Å; F151-C246 WeakPolarHBondContact CZ-O 3.36Å; F151-K248 HydrophobicContact CD1-CG 4.03Å; F151-K248 HydrophobicContact CD2-CG 4.31Å; F151-K248 HydrophobicContact CE1-CB 4.24Å; F151-K248 HydrophobicContact CE1-CD 4.45Å; F151-K248 HydrophobicContact CE1-CG 3.33Å; F151-K248 HydrophobicContact CE2-CD 4.3Å; F151-K248 HydrophobicContact CE2-CG 3.68Å; F151-K248 HydrophobicContact CG-CG 4.49Å; F151-K248 HydrophobicContact CZ-CB 4.2Å; F151-K248 HydrophobicContact CZ-CD 4.23Å; F151-K248 HydrophobicContact CZ-CG 3.16Å
152G92.8Very high91.4Very high13 Ų1347.2 Ų47.213%0.13423%0.234CC..SBendtrans57.7-132.917800000112.6L154 R176 E177G152-L154 PolarHBondContact O-N 2.67Å; G152-R176 CarbonylContact O-C 3.59Å; G152-R176 WeakPolarHBondContact O-CA 3.49Å; G152-R176 WeakPolarHBondContact O-CB 3.45Å; G152-E177 PolarHBondContact O-N 3.07Å
153K90.9Very high91.8Very high175 Ų17539.6 Ų39.676%0.76119%0.194SC*.SBendtrans-78.755.2-179.6-64.9-179.6-178.2175.20112.7F151 E177F151-K153 PolarHBondContact O-N 2.9Å; K153-E177 WeakPolarHBondContact CE-OE2 3.31Å; K153-E177 VanDerWaalsContact CG-CD 3.47Å; K153-E177 HydrophobicContact CG-CG 4.41Å; K153-E177 WeakPolarHBondContact CG-OE1 3.28Å; K153-E177 WeakPolarHBondContact CG-OE2 3.44Å
154L90.9Very high91.8Very high22 Ų2242.1 Ų42.112%0.11521%0.205CC..  trans-86.2127.1172-169.868.5000109.9F151 G152 D158 A159 L174 R176F151-L154 HydrophobicContact CB-CB 3.95Å; F151-L154 HydrophobicContact CB-CD2 3.89Å; F151-L154 HydrophobicContact CD1-CD2 3.82Å; F151-L154 HydrophobicContact CG-CD2 4.11Å; G152-L154 PolarHBondContact O-N 2.67Å; L154-D158 HydrophobicContact CD1-CB 3.6Å; L154-D158 HydrophobicContact CG-CB 4.16Å; L154-A159 HydrophobicContact CD2-CB 3.71Å; L154-A159 HydrophobicContact CG-CB 4.23Å; L154-L174 HydrophobicContact CD2-CD1 4.24Å; L154-L174 HydrophobicContact CD2-CD2 3.95Å; L154-R176 HydrophobicContact CB-CB 4.1Å; L154-R176 WeakPolarHBondContact O-CD 3.47Å; L154-R176 PolarHBondContact O-NH1 3.13Å
155G91.3Very high91.6Very high18 Ų1843.1 Ų43.119%0.18621%0.214CC..  trans-67.5155.3174.600000112.2K157 D158 A159 E179G155-K157 VanDerWaalsContact C-N 3.33Å; G155-K157 PolarHBondContact O-N 3.25Å; G155-D158 PolarHBondContact O-N 2.97Å; G155-A159 WeakPolarHBondContact O-CB 3.36Å; G155-A159 PolarHBondContact O-N 3.48Å; G155-E179 WeakPolarHBondContact CA-OE1 3.26Å
156R91.9Very high91.2Very high45 Ų4549.7 Ų49.717%0.1724%0.242CC..Hα-helixtrans-54.9-47.9-179.2178.5-175.3-177.6139.54.1112A159 E160 E179 H202 Q530R156-A159 WeakPolarHBondContact O-CB 2.99Å; R156-A159 PolarHBondContact O-N 3.19Å; R156-E160 WeakPolarHBondContact CG-OE1 3.44Å; R156-E160 IonicContact CZ-OE1 3.51Å; R156-E160 IonicContact NE-OE1 2.84Å; R156-E160 PolarHBondContact NE-OE1 3.4Å; R156-E160 WeakPolarHBondContact O-CG 3.44Å; R156-E160 PolarHBondContact O-N 3.36Å; R156-E179 WeakPolarHBondContact CA-OE2 3.28Å; R156-E179 WeakPolarHBondContact CB-OE2 3.3Å; R156-E179 PolarHBondContact N-OE1 2.9Å; R156-E179 VanDerWaalsContact N-OE1 3.07Å; R156-E179 PolarHBondContact N-OE2 3.18Å; R156-H202 PolarHBondContact NE-NE2 2.92Å; R156-H202 PolarHBondContact NH2-CD2 3.47Å; R156-H202 VanDerWaalsContact NH2-CD2 3.25Å; R156-Q530 VanDerWaalsContact CZ-O 3.23Å; R156-Q530 VanDerWaalsContact NH1-CA 3.32Å; R156-Q530 PolarHBondContact NH1-O 2.76Å; R156-Q530 PolarHBondContact NH2-O 3.37Å
157K89Confident91Very high28 Ų2851.6 Ų51.612%0.12226%0.264CS..Hα-helixtrans-68.8-38.6-177.2-63.9-67174.9171.60112G155 A159 E160 R161 E521 T525G155-K157 VanDerWaalsContact C-N 3.33Å; G155-K157 PolarHBondContact O-N 3.25Å; K157-A159 VanDerWaalsContact C-N 3.31Å; K157-A159 PolarHBondContact O-N 3.29Å; K157-E160 WeakPolarHBondContact CD-OE2 3.32Å; K157-E160 IonicContact NZ-OE2 2.88Å; K157-E160 PolarHBondContact O-N 2.98Å; K157-R161 WeakPolarHBondContact O-CG 3.42Å; K157-R161 PolarHBondContact O-N 2.76Å; K157-E521 WeakPolarHBondContact CE-O 3.45Å; K157-E521 HydrophobicContact CG-CB 4.24Å; K157-E521 HydrophobicContact CG-CG 4.3Å; K157-E521 PolarHBondContact NZ-O 3Å; K157-T525 PolarHBondContact NZ-OG1 3.41Å
158D89.7Confident90.9Very high37 Ų3750.2 Ų50.220%0.19826%0.258CS..Hα-helixtrans-65.3-35.4172.3-69.7-51.5000111.7L154 G155 R161 Q162 K325L154-D158 HydrophobicContact CD1-CB 3.6Å; L154-D158 HydrophobicContact CG-CB 4.16Å; G155-D158 PolarHBondContact O-N 2.97Å; D158-R161 PolarHBondContact O-N 3.09Å; D158-R161 IonicContact OD1-CZ 3.25Å; D158-R161 IonicContact OD1-NH1 3.56Å; D158-R161 PolarHBondContact OD1-NH1 2.81Å; D158-Q162 WeakPolarHBondContact O-CG 3.28Å; D158-Q162 PolarHBondContact O-N 2.64Å; D158-K325 IonicContact OD1-NZ 2.65Å; D158-K325 PolarHBondContact OD1-NZ 3.41Å; D158-K325 VanDerWaalsContact OD1-NZ 3.09Å; D158-K325 IonicContact OD2-NZ 3.7Å
159A93.2Very high91Very high0 Ų048.4 Ų48.40%026%0.256CS..Hα-helixtrans-63.8-43.7171.300000112.3L154 G155 R156 K157 Q162 L163 L174L154-A159 HydrophobicContact CD2-CB 3.71Å; L154-A159 HydrophobicContact CG-CB 4.23Å; G155-A159 WeakPolarHBondContact O-CB 3.36Å; G155-A159 PolarHBondContact O-N 3.48Å; R156-A159 WeakPolarHBondContact O-CB 2.99Å; R156-A159 PolarHBondContact O-N 3.19Å; K157-A159 VanDerWaalsContact C-N 3.31Å; K157-A159 PolarHBondContact O-N 3.29Å; A159-Q162 PolarHBondContact O-N 2.9Å; A159-L163 WeakPolarHBondContact O-CB 3.33Å; A159-L163 VanDerWaalsContact O-CG 3.3Å; A159-L163 WeakPolarHBondContact O-CG 3.4Å; A159-L163 PolarHBondContact O-N 2.79Å; A159-L174 HydrophobicContact CB-CD1 3.95Å; A159-L174 HydrophobicContact CB-CD2 4.14Å
160E92.8Very high91.1Very high33 Ų3353.5 Ų53.515%0.15428%0.275CS..Hα-helixtrans-59.3-47.9175-70.1172.7-167.900110.9R156 K157 Q162 L163 L164 V200 H202R156-E160 WeakPolarHBondContact CG-OE1 3.44Å; R156-E160 IonicContact CZ-OE1 3.51Å; R156-E160 IonicContact NE-OE1 2.84Å; R156-E160 PolarHBondContact NE-OE1 3.4Å; R156-E160 WeakPolarHBondContact O-CG 3.44Å; R156-E160 PolarHBondContact O-N 3.36Å; K157-E160 WeakPolarHBondContact CD-OE2 3.32Å; K157-E160 IonicContact NZ-OE2 2.88Å; K157-E160 PolarHBondContact O-N 2.98Å; E160-Q162 PolarHBondContact O-N 3.41Å; E160-L163 PolarHBondContact O-N 3.07Å; E160-L164 VanDerWaalsContact O-CB 3.28Å; E160-L164 WeakPolarHBondContact O-CB 3.39Å; E160-L164 VanDerWaalsContact O-CG 3.26Å; E160-L164 WeakPolarHBondContact O-CG 3.43Å; E160-L164 PolarHBondContact O-N 3.28Å; E160-V200 HydrophobicContact CB-CG2 4.49Å; E160-V200 HydrophobicContact CG-CB 4.06Å; E160-V200 HydrophobicContact CG-CG1 4.28Å; E160-V200 HydrophobicContact CG-CG2 4.39Å; E160-H202 IonicContact OE1-CE1 2.65Å; E160-H202 IonicContact OE1-NE2 3.76Å; E160-H202 PolarHBondContact OE1-NE2 3.38Å; E160-H202 VanDerWaalsContact OE1-NE2 3.13Å
161R89.5Confident91.2Very high37 Ų3753 Ų5314%0.1427%0.273CS..Hα-helixtrans-56.7-46.2176.5-70.6172-169121.710.7112.6K157 D158 S165 D369K157-R161 WeakPolarHBondContact O-CG 3.42Å; K157-R161 PolarHBondContact O-N 2.76Å; D158-R161 PolarHBondContact O-N 3.09Å; D158-R161 IonicContact OD1-CZ 3.25Å; D158-R161 IonicContact OD1-NH1 3.56Å; D158-R161 PolarHBondContact OD1-NH1 2.81Å; R161-S165 PolarHBondContact O-N 3.05Å; R161-D369 IonicContact CZ-OD1 2.87Å; R161-D369 IonicContact CZ-OD2 3.54Å; R161-D369 IonicContact NE-OD1 2.69Å; R161-D369 PolarHBondContact NE-OD1 2.88Å; R161-D369 IonicContact NE-OD2 3.31Å; R161-D369 PolarHBondContact NE-OD2 3.28Å; R161-D369 IonicContact NH2-OD1 3.7Å; R161-D369 PolarHBondContact NH2-OD1 2.93Å; R161-D369 IonicContact NH2-OD2 2.76Å
162Q90.7Very high91.4Very high61 Ų6151.4 Ų51.429%0.28527%0.266SS..Hα-helixtrans-68.3-43.9-179-71.1-172.934.900111.8D158 A159 E160 S165 N168D158-Q162 WeakPolarHBondContact O-CG 3.28Å; D158-Q162 PolarHBondContact O-N 2.64Å; A159-Q162 PolarHBondContact O-N 2.9Å; E160-Q162 PolarHBondContact O-N 3.41Å; Q162-S165 VanDerWaalsContact O-CB 3.29Å; Q162-S165 WeakPolarHBondContact O-CB 3.34Å; Q162-S165 PolarHBondContact O-N 3.18Å; Q162-S165 PolarHBondContact O-OG 3.42Å; Q162-N168 PolarHBondContact O-ND2 3.26Å
163L93.9Very high91.6Very high0 Ų051 Ų510%026%0.26CS..Hα-helixtrans-66.6-40.1179.4-73.3170.2000112.2A159 E160 S165 N168 T172 L174 R190 V200 C246A159-L163 WeakPolarHBondContact O-CB 3.33Å; A159-L163 VanDerWaalsContact O-CG 3.3Å; A159-L163 WeakPolarHBondContact O-CG 3.4Å; A159-L163 PolarHBondContact O-N 2.79Å; E160-L163 PolarHBondContact O-N 3.07Å; L163-S165 PolarHBondContact O-N 3.5Å; L163-N168 WeakPolarHBondContact O-CB 3.34Å; L163-N168 PolarHBondContact O-ND2 2.89Å; L163-N168 VanDerWaalsContact O-ND2 3.07Å; L163-T172 HydrophobicContact CD2-CG2 3.87Å; L163-T172 WeakPolarHBondContact CD2-O 3.36Å; L163-L174 HydrophobicContact CD1-CD2 4.12Å; L163-L174 HydrophobicContact CD1-CG 4.18Å; L163-L174 HydrophobicContact CD2-CD2 4.16Å; L163-L174 HydrophobicContact CD2-CG 4.4Å; L163-L174 HydrophobicContact CG-CD2 3.88Å; L163-L174 HydrophobicContact CG-CG 4.36Å; L163-R190 HydrophobicContact CB-CB 4.4Å; L163-R190 WeakPolarHBondContact O-CD 3.25Å; L163-R190 PolarHBondContact O-NH1 2.7Å; L163-V200 HydrophobicContact CB-CG2 3.82Å; L163-V200 HydrophobicContact CD1-CG1 3.61Å; L163-V200 HydrophobicContact CD1-CG2 4.16Å; L163-C246 HydrophobicContact CD2-CB 3.81Å
164L91.3Very high91.9Very high72 Ų7242.7 Ų42.738%0.37722%0.224SC..THydrogen-bonded Turntrans-79.6-0.8178.6-64.6174.1000113.9E160 D198 V200E160-L164 VanDerWaalsContact O-CB 3.28Å; E160-L164 WeakPolarHBondContact O-CB 3.39Å; E160-L164 VanDerWaalsContact O-CG 3.26Å; E160-L164 WeakPolarHBondContact O-CG 3.43Å; E160-L164 PolarHBondContact O-N 3.28Å; L164-D198 HydrophobicContact CD2-CB 3.99Å; L164-V200 HydrophobicContact CD1-CG2 4.27Å; L164-V200 HydrophobicContact CD2-CG2 3.95Å; L164-V200 HydrophobicContact CG-CG2 3.78Å
165S86.4Confident92.3Very high46 Ų4641.6 Ų41.632%0.32222%0.219SC..SBendtrans-58.515117568.70000112.1R161 Q162 L163 G167 N168 R190R161-S165 PolarHBondContact O-N 3.05Å; Q162-S165 VanDerWaalsContact O-CB 3.29Å; Q162-S165 WeakPolarHBondContact O-CB 3.34Å; Q162-S165 PolarHBondContact O-N 3.18Å; Q162-S165 PolarHBondContact O-OG 3.42Å; L163-S165 PolarHBondContact O-N 3.5Å; S165-G167 PolarHBondContact O-N 3.04Å; S165-N168 PolarHBondContact O-N 3.17Å; S165-N168 PolarHBondContact OG-ND2 3.17Å; S165-N168 VanDerWaalsContact OG-ND2 3.15Å; S165-R190 PolarHBondContact O-NH1 2.79Å
166F83Confident92.5Very high217 Ų21740.8 Ų40.895%0.95221%0.21SC*.THydrogen-bonded Turntrans-61.7133.2-179.3-178.4-95000110.8
167G86Confident92.7Very high63 Ų6342.2 Ų42.265%0.64922%0.219SC*.THydrogen-bonded Turntrans102.1-18.2177.900000115.2S165 P169S165-G167 PolarHBondContact O-N 3.04Å; G167-P169 WeakPolarHBondContact O-CD 3.48Å
168N91.6Very high92.9Very high24 Ų2441.4 Ų41.413%0.12822%0.216CC..PPolyproline II helixtrans-73.7124.8175.9-75.8-20.5000111.3Q162 L163 S165 T172 R190Q162-N168 PolarHBondContact O-ND2 3.26Å; L163-N168 WeakPolarHBondContact O-CB 3.34Å; L163-N168 PolarHBondContact O-ND2 2.89Å; L163-N168 VanDerWaalsContact O-ND2 3.07Å; S165-N168 PolarHBondContact O-N 3.17Å; S165-N168 PolarHBondContact OG-ND2 3.17Å; S165-N168 VanDerWaalsContact OG-ND2 3.15Å; N168-T172 HydrophobicContact CB-CG2 4.09Å; N168-R190 PolarHBondContact O-NE 2.67Å; N168-R190 PolarHBondContact O-NH1 2.81Å
169P93.8Very high92.9Very high65 Ų6545.1 Ų45.142%0.42223%0.232SC..PPolyproline II helixtrans-76.5165.5174.231.1-36.3000112.6G167 G171 T172 V244G167-P169 WeakPolarHBondContact O-CD 3.48Å; P169-G171 PolarHBondContact O-N 3.46Å; P169-T172 VanDerWaalsContact CD-OG1 3.25Å; P169-T172 WeakPolarHBondContact CD-OG1 3.36Å; P169-T172 WeakPolarHBondContact O-CB 3.46Å; P169-T172 PolarHBondContact O-N 3.25Å; P169-T172 VanDerWaalsContact O-N 3.11Å; P169-T172 PolarHBondContact O-OG1 3.02Å; P169-V244 HydrophobicContact CG-CG2 3.84Å
170R95.5Very high92.7Very high123 Ų12349 Ų4946%0.46426%0.256SS..THydrogen-bonded Turntrans-54.4136.3167.3-175.8-179.5-178.1-1641.3110.3D191 C239R170-D191 IonicContact CZ-OD1 3.2Å; R170-D191 IonicContact NE-OD1 2.74Å; R170-D191 PolarHBondContact NE-OD1 2.88Å; R170-D191 IonicContact NH2-OD1 2.86Å; R170-D191 PolarHBondContact NH2-OD1 2.98Å; R170-C239 PolarHBondContact NH2-O 3.13Å
171G96.6Very high92.5Very high0 Ų049.7 Ų49.70%026%0.263CS..THydrogen-bonded Turntrans85.94.4-174.700000114.3P169 R190 V243P169-G171 PolarHBondContact O-N 3.46Å; G171-R190 PolarHBondContact N-O 2.9Å; G171-V243 PolarHBondContact O-N 2.93Å
172T97.7Very high92.4Very high0 Ų058 Ų580%030%0.3CS..EExtended strand (participates in β ladder)trans-62.2134.5165.8-56.70000109.4L163 N168 P169 I189 R190 V244 C246L163-T172 HydrophobicContact CD2-CG2 3.87Å; L163-T172 WeakPolarHBondContact CD2-O 3.36Å; N168-T172 HydrophobicContact CB-CG2 4.09Å; P169-T172 VanDerWaalsContact CD-OG1 3.25Å; P169-T172 WeakPolarHBondContact CD-OG1 3.36Å; P169-T172 WeakPolarHBondContact O-CB 3.46Å; P169-T172 PolarHBondContact O-N 3.25Å; P169-T172 VanDerWaalsContact O-N 3.11Å; P169-T172 PolarHBondContact O-OG1 3.02Å; T172-I189 WeakPolarHBondContact O-CA 3.45Å; T172-R190 PolarHBondContact O-N 3Å; T172-V244 CarbonylContact C-O 3.52Å; T172-V244 VanDerWaalsContact CA-O 3.25Å; T172-V244 WeakPolarHBondContact CA-O 3.49Å; T172-V244 HydrophobicContact CG2-CG2 4.4Å; T172-C246 HydrophobicContact CG2-CB 3.95Å
173F98.1Very high92.2Very high5 Ų557.8 Ų57.82%0.02231%0.314CS..EExtended strand (participates in β ladder)trans-142.5161.4-172.174.7-80.4000114.3W149 L187 S188 I189 V228 L242 V244 P245 C246W149-F173 HydrophobicContact CB-CD2 4.26Å; W149-F173 HydrophobicContact CB-CE2 3.52Å; W149-F173 HydrophobicContact CB-CZ 3.98Å; W149-F173 AromaticContact CG-CE2 3.95Å; W149-F173 HydrophobicContact CG-CE2 3.95Å; W149-F173 HydrophobicContact CG-CZ 4.33Å; F173-L187 HydrophobicContact CB-CD1 4.17Å; F173-L187 HydrophobicContact CD2-CD1 3.88Å; F173-L187 HydrophobicContact CG-CD1 4.44Å; F173-S188 CarbonylContact C-O 3.59Å; F173-S188 VanDerWaalsContact CA-O 3.23Å; F173-S188 WeakPolarHBondContact CA-O 3.41Å; F173-I189 HydrophobicContact CB-CG1 4.26Å; F173-V228 HydrophobicContact CE2-CG1 3.68Å; F173-V228 HydrophobicContact CE2-CG2 4.21Å; F173-V228 HydrophobicContact CZ-CG1 3.63Å; F173-L242 HydrophobicContact CB-CD2 3.76Å; F173-L242 HydrophobicContact CD1-CB 3.65Å; F173-L242 HydrophobicContact CD1-CD1 4.47Å; F173-L242 HydrophobicContact CD1-CD2 4.18Å; F173-L242 HydrophobicContact CD1-CG 4.3Å; F173-L242 HydrophobicContact CD2-CD1 3.93Å; F173-L242 HydrophobicContact CD2-CD2 4.27Å; F173-L242 HydrophobicContact CD2-CG 4.48Å; F173-L242 HydrophobicContact CE1-CB 3.74Å; F173-L242 HydrophobicContact CE2-CD1 3.98Å; F173-L242 HydrophobicContact CG-CB 4.1Å; F173-L242 HydrophobicContact CG-CD1 4.19Å; F173-L242 HydrophobicContact CG-CD2 3.81Å; F173-L242 HydrophobicContact CG-CG 4.24Å; F173-L242 HydrophobicContact CZ-CB 4.26Å; F173-L242 HydrophobicContact CZ-CD1 4.28Å; F173-V244 WeakPolarHBondContact CD1-O 3.3Å; F173-V244 VanDerWaalsContact CE1-C 3.42Å; F173-V244 PolarHBondContact N-O 3.42Å; F173-P245 HydrophobicContact CE1-CG 4.28Å; F173-P245 HydrophobicContact CZ-CG 4.19Å; F173-P245 CarbonylContact O-C 3.34Å; F173-P245 WeakPolarHBondContact O-CA 3.4Å; F173-C246 PolarHBondContact O-N 3.36Å
174L97.7Very high92.1Very high0 Ų058.2 Ų58.20%032%0.318CS..EExtended strand (participates in β ladder)trans-147.6156.4168.659.886000110.8W149 F151 L154 A159 L163 R176 S188 C246W149-L174 CarbonylContact O-C 3.57Å; W149-L174 WeakPolarHBondContact O-CA 3.27Å; F151-L174 HydrophobicContact CD1-CD2 4.46Å; F151-L174 HydrophobicContact CD2-CB 3.44Å; F151-L174 VanDerWaalsContact CD2-CB 3.44Å; F151-L174 HydrophobicContact CD2-CD2 4.3Å; F151-L174 HydrophobicContact CD2-CG 4.33Å; F151-L174 HydrophobicContact CE2-CB 3.57Å; F151-L174 HydrophobicContact CE2-CD2 4.34Å; F151-L174 HydrophobicContact CG-CB 4.18Å; F151-L174 HydrophobicContact CG-CD2 4.33Å; F151-L174 HydrophobicContact CZ-CB 4.39Å; F151-L174 HydrophobicContact CZ-CD2 4.41Å; L154-L174 HydrophobicContact CD2-CD1 4.24Å; L154-L174 HydrophobicContact CD2-CD2 3.95Å; A159-L174 HydrophobicContact CB-CD1 3.95Å; A159-L174 HydrophobicContact CB-CD2 4.14Å; L163-L174 HydrophobicContact CD1-CD2 4.12Å; L163-L174 HydrophobicContact CD1-CG 4.18Å; L163-L174 HydrophobicContact CD2-CD2 4.16Å; L163-L174 HydrophobicContact CD2-CG 4.4Å; L163-L174 HydrophobicContact CG-CD2 3.88Å; L163-L174 HydrophobicContact CG-CG 4.36Å; L174-R176 HydrophobicContact CD1-CB 4.17Å; L174-R176 HydrophobicContact CD1-CG 4.16Å; L174-S188 PolarHBondContact N-O 3.18Å; L174-S188 PolarHBondContact O-N 2.9Å; L174-C246 HydrophobicContact CB-CB 4.19Å; L174-C246 HydrophobicContact CD2-CB 4.03Å
175I97.5Very high92.4Very high0 Ų056.7 Ų56.70%031%0.307CS..EExtended strand (participates in β ladder)trans-112136.2168.1-63.8-176.5000108.8W149 Y150 F151 Y185 S186 L187 I205 L227 V228W149-I175 HydrophobicContact CE3-CB 3.77Å; W149-I175 HydrophobicContact CE3-CD1 3.75Å; W149-I175 HydrophobicContact CE3-CG1 3.89Å; W149-I175 HydrophobicContact CH2-CD1 4.43Å; W149-I175 HydrophobicContact CZ3-CB 3.89Å; W149-I175 HydrophobicContact CZ3-CD1 3.59Å; W149-I175 HydrophobicContact CZ3-CG1 4.1Å; W149-I175 HydrophobicContact CZ3-CG2 4.32Å; W149-I175 PolarHBondContact O-N 3.43Å; Y150-I175 CarbonylContact C-O 3.58Å; Y150-I175 WeakPolarHBondContact CA-O 3.34Å; Y150-I175 HydrophobicContact CD2-CB 4.46Å; Y150-I175 HydrophobicContact CD2-CG2 4.15Å; F151-I175 PolarHBondContact N-O 3.15Å; I175-Y185 HydrophobicContact CG2-CD1 4.3Å; I175-Y185 HydrophobicContact CG2-CG 4.43Å; I175-S186 WeakPolarHBondContact CA-O 3.27Å; I175-L187 HydrophobicContact CD1-CD1 4.48Å; I175-L187 HydrophobicContact CG1-CB 4.41Å; I175-L187 HydrophobicContact CG1-CD1 3.89Å; I175-I205 HydrophobicContact CD1-CD1 3.75Å; I175-I205 HydrophobicContact CG1-CD1 4.11Å; I175-I205 HydrophobicContact CG2-CD1 4.07Å; I175-L227 HydrophobicContact CD1-CD2 4.44Å; I175-V228 HydrophobicContact CD1-CG2 3.49Å; I175-V228 VanDerWaalsContact CD1-CG2 3.49Å
176R96.6Very high92.9Very high0 Ų054.5 Ų54.50%029%0.292CS..EExtended strand (participates in β ladder)trans-136.9163.4179.861.8-167-17880.3-0.2110.3G152 L154 L174 E179 Y185 S186 S188G152-R176 CarbonylContact O-C 3.59Å; G152-R176 WeakPolarHBondContact O-CA 3.49Å; G152-R176 WeakPolarHBondContact O-CB 3.45Å; L154-R176 HydrophobicContact CB-CB 4.1Å; L154-R176 WeakPolarHBondContact O-CD 3.47Å; L154-R176 PolarHBondContact O-NH1 3.13Å; L174-R176 HydrophobicContact CD1-CB 4.17Å; L174-R176 HydrophobicContact CD1-CG 4.16Å; R176-E179 IonicContact CZ-OE2 3.26Å; R176-E179 IonicContact NH1-OE2 2.77Å; R176-E179 PolarHBondContact NH1-OE2 2.83Å; R176-E179 IonicContact NH2-OE2 3.3Å; R176-Y185 CarbonylContact O-C 3.56Å; R176-Y185 VanDerWaalsContact O-CA 3.3Å; R176-Y185 WeakPolarHBondContact O-CA 3.33Å; R176-S186 PolarHBondContact N-O 2.79Å; R176-S186 PolarHBondContact O-N 3.4Å; R176-S188 PolarHBondContact NE-OG 3.17Å
177E95.9Very high93.6Very high76 Ų7644.2 Ų44.236%0.35525%0.246SC..EExtended strand (participates in β ladder)trans-61.5142.7168.5-68.2-177.8-150.300110.1G152 K153 E179 Y185G152-E177 PolarHBondContact O-N 3.07Å; K153-E177 WeakPolarHBondContact CE-OE2 3.31Å; K153-E177 VanDerWaalsContact CG-CD 3.47Å; K153-E177 HydrophobicContact CG-CG 4.41Å; K153-E177 WeakPolarHBondContact CG-OE1 3.28Å; K153-E177 WeakPolarHBondContact CG-OE2 3.44Å; E177-E179 PolarHBondContact O-N 3.06Å; E177-Y185 HydrophobicContact CG-CE1 4.42Å
178S93.7Very high94.1Very high10 Ų1041.2 Ų41.27%0.0722%0.215CC..  trans-78.2116.9178.8179.30000110.8T180 T181 A184S178-T180 VanDerWaalsContact C-N 3.25Å; S178-T180 PolarHBondContact O-N 3.28Å; S178-T181 WeakPolarHBondContact CB-O 3.41Å; S178-T181 PolarHBondContact O-N 2.72Å; S178-T181 PolarHBondContact OG-N 2.81Å; S178-A184 VanDerWaalsContact CB-O 3.27Å; S178-A184 WeakPolarHBondContact CB-O 3.39Å; S178-A184 PolarHBondContact N-O 2.68Å
179E89.1Confident94.4Very high115 Ų11540 Ų4054%0.53721%0.209SC..THydrogen-bonded Turntrans-62.2-32.1176.6-70.2157.5115.600113G155 R156 R176 E177G155-E179 WeakPolarHBondContact CA-OE1 3.26Å; R156-E179 WeakPolarHBondContact CA-OE2 3.28Å; R156-E179 WeakPolarHBondContact CB-OE2 3.3Å; R156-E179 PolarHBondContact N-OE1 2.9Å; R156-E179 VanDerWaalsContact N-OE1 3.07Å; R156-E179 PolarHBondContact N-OE2 3.18Å; R176-E179 IonicContact CZ-OE2 3.26Å; R176-E179 IonicContact NH1-OE2 2.77Å; R176-E179 PolarHBondContact NH1-OE2 2.83Å; R176-E179 IonicContact NH2-OE2 3.3Å; E177-E179 PolarHBondContact O-N 3.06Å
180T88.8Confident94.5Very high81 Ų8138.2 Ų38.250%0.49719%0.194SC..THydrogen-bonded Turntrans-93-5.9-175.658.90000114S178 Y531S178-T180 VanDerWaalsContact C-N 3.25Å; S178-T180 PolarHBondContact O-N 3.28Å; T180-Y531 HydrophobicContact CG2-CE2 4.48Å
181T88.3Confident94.5Very high48 Ų4832.5 Ų32.529%0.29417%0.173SC..SBendtrans-152.4103.7-175.1-60.70000110.4S178 G183 A184 K204S178-T181 WeakPolarHBondContact CB-O 3.41Å; S178-T181 PolarHBondContact O-N 2.72Å; S178-T181 PolarHBondContact OG-N 2.81Å; T181-G183 PolarHBondContact O-N 3.42Å; T181-A184 HydrophobicContact CG2-CB 3.73Å; T181-A184 WeakPolarHBondContact O-CB 3.1Å; T181-A184 PolarHBondContact O-N 3.38Å; T181-A184 VanDerWaalsContact O-N 3.08Å; T181-K204 VanDerWaalsContact OG1-CE 3.27Å; T181-K204 WeakPolarHBondContact OG1-CE 3.11Å; T181-K204 PolarHBondContact OG1-NZ 3.47Å
182K87.7Confident94.3Very high213 Ų21338 Ų3893%0.92619%0.194SC*.THydrogen-bonded Turntrans-54.4128.5-179.9-170.4176.9-177.8179.40111A184K182-A184 VanDerWaalsContact C-N 3.26Å; K182-A184 PolarHBondContact O-N 3.08Å
183G87Confident93.9Very high56 Ų5639.9 Ų39.958%0.57720%0.204SC*.THydrogen-bonded Turntrans80.4-5.417900000115.6T181T181-G183 PolarHBondContact O-N 3.42Å
184A92.4Very high93.4Very high9 Ų946.7 Ų46.77%0.07424%0.24CC..  trans-90.7165.9169.100000111S178 T181 K182S178-A184 VanDerWaalsContact CB-O 3.27Å; S178-A184 WeakPolarHBondContact CB-O 3.39Å; S178-A184 PolarHBondContact N-O 2.68Å; T181-A184 HydrophobicContact CG2-CB 3.73Å; T181-A184 WeakPolarHBondContact O-CB 3.1Å; T181-A184 PolarHBondContact O-N 3.38Å; T181-A184 VanDerWaalsContact O-N 3.08Å; K182-A184 VanDerWaalsContact C-N 3.26Å; K182-A184 PolarHBondContact O-N 3.08Å
185Y96.1Very high92.9Very high40 Ų4055.2 Ų55.216%0.15728%0.282CS..EExtended strand (participates in β ladder)trans-118.1167.3176.7-59.5-87.2000110.8Y150 I175 R176 E177 I205 Y213 L224Y150-Y185 AromaticContact CE2-CD1 3.87Å; Y150-Y185 HydrophobicContact CE2-CD1 3.87Å; Y150-Y185 AromaticContact CE2-CE1 3.66Å; Y150-Y185 HydrophobicContact CE2-CE1 3.66Å; I175-Y185 HydrophobicContact CG2-CD1 4.3Å; I175-Y185 HydrophobicContact CG2-CG 4.43Å; R176-Y185 CarbonylContact O-C 3.56Å; R176-Y185 VanDerWaalsContact O-CA 3.3Å; R176-Y185 WeakPolarHBondContact O-CA 3.33Å; E177-Y185 HydrophobicContact CG-CE1 4.42Å; Y185-I205 PolarHBondContact N-O 3Å; Y185-I205 PolarHBondContact O-N 3.05Å; Y185-Y213 HydrophobicContact CD2-CD1 4.33Å; Y185-Y213 HydrophobicContact CD2-CE1 4Å; Y185-Y213 HydrophobicContact CE2-CD1 4.45Å; Y185-Y213 AromaticContact CE2-CE1 3.69Å; Y185-Y213 HydrophobicContact CE2-CE1 3.69Å; Y185-L224 HydrophobicContact CD1-CD1 4.24Å; Y185-L224 HydrophobicContact CD2-CD1 3.66Å; Y185-L224 HydrophobicContact CE1-CD1 4.25Å; Y185-L224 HydrophobicContact CE2-CD1 3.68Å; Y185-L224 HydrophobicContact CG-CD1 3.93Å
186S97.3Very high92.2Very high0 Ų060 Ų600%030%0.303CS..EExtended strand (participates in β ladder)trans-132.7126175.1-66.50000110I175 R176 Y203 Y531I175-S186 WeakPolarHBondContact CA-O 3.27Å; R176-S186 PolarHBondContact N-O 2.79Å; R176-S186 PolarHBondContact O-N 3.4Å; S186-Y203 CarbonylContact C-O 3.58Å; S186-Y203 WeakPolarHBondContact CA-O 3.41Å; S186-Y531 WeakPolarHBondContact OG-CE1 3.49Å; S186-Y531 PolarHBondContact OG-OH 2.77Å
187L97.4Very high91.8Very high0 Ų061 Ų610%031%0.314CS..EExtended strand (participates in β ladder)trans-87.9124.5168.1172.663.8000108.4F173 I175 I189 H202 Y203 I205 I215 L238 L242F173-L187 HydrophobicContact CB-CD1 4.17Å; F173-L187 HydrophobicContact CD2-CD1 3.88Å; F173-L187 HydrophobicContact CG-CD1 4.44Å; I175-L187 HydrophobicContact CD1-CD1 4.48Å; I175-L187 HydrophobicContact CG1-CB 4.41Å; I175-L187 HydrophobicContact CG1-CD1 3.89Å; L187-I189 HydrophobicContact CD1-CG1 4.15Å; L187-I189 HydrophobicContact CD2-CD1 3.91Å; L187-I189 HydrophobicContact CD2-CG1 4.31Å; L187-I189 HydrophobicContact CG-CD1 4.03Å; L187-I189 HydrophobicContact CG-CG1 3.86Å; L187-H202 CarbonylContact O-C 3.56Å; L187-H202 WeakPolarHBondContact O-CA 3.4Å; L187-Y203 PolarHBondContact N-O 3.05Å; L187-Y203 PolarHBondContact O-N 3.26Å; L187-I205 HydrophobicContact CB-CD1 3.84Å; L187-I205 HydrophobicContact CB-CG1 4.22Å; L187-I215 HydrophobicContact CB-CD1 4.49Å; L187-I215 HydrophobicContact CD2-CD1 3.7Å; L187-L238 HydrophobicContact CD2-CD1 3.89Å; L187-L242 HydrophobicContact CD1-CD1 4.32Å; L187-L242 HydrophobicContact CD1-CD2 4.16Å; L187-L242 HydrophobicContact CD2-CD1 4.45Å; L187-L242 HydrophobicContact CD2-CD2 4.25Å
188S97.7Very high91.6Very high0 Ų061.2 Ų61.20%032%0.317CS..EExtended strand (participates in β ladder)trans-117.2130.4177.6-49.70000108.9F173 L174 R176 K201 H202F173-S188 CarbonylContact C-O 3.59Å; F173-S188 VanDerWaalsContact CA-O 3.23Å; F173-S188 WeakPolarHBondContact CA-O 3.41Å; L174-S188 PolarHBondContact N-O 3.18Å; L174-S188 PolarHBondContact O-N 2.9Å; R176-S188 PolarHBondContact NE-OG 3.17Å; S188-K201 WeakPolarHBondContact CA-O 3.4Å; S188-H202 WeakPolarHBondContact CB-ND1 3.4Å; S188-H202 PolarHBondContact OG-ND1 3.34Å
189I97.2Very high91.5Very high0 Ų061.9 Ų61.90%032%0.319CS..EExtended strand (participates in β ladder)trans-132.1129.6-171.5-46.5173.6000109.4T172 F173 L187 D191 V200 K201 Y203 L238 L242T172-I189 WeakPolarHBondContact O-CA 3.45Å; F173-I189 HydrophobicContact CB-CG1 4.26Å; L187-I189 HydrophobicContact CD1-CG1 4.15Å; L187-I189 HydrophobicContact CD2-CD1 3.91Å; L187-I189 HydrophobicContact CD2-CG1 4.31Å; L187-I189 HydrophobicContact CG-CD1 4.03Å; L187-I189 HydrophobicContact CG-CG1 3.86Å; I189-D191 PolarHBondContact O-N 3.07Å; I189-V200 WeakPolarHBondContact O-CA 3.34Å; I189-K201 PolarHBondContact N-O 2.49Å; I189-K201 PolarHBondContact O-N 3.02Å; I189-Y203 HydrophobicContact CD1-CD2 3.89Å; I189-Y203 HydrophobicContact CD1-CE2 3.74Å; I189-Y203 HydrophobicContact CG1-CD2 4.43Å; I189-Y203 HydrophobicContact CG1-CE2 4.45Å; I189-L238 HydrophobicContact CD1-CB 4.41Å; I189-L238 HydrophobicContact CD1-CD1 3.9Å; I189-L242 HydrophobicContact CD1-CD2 3.55Å; I189-L242 HydrophobicContact CG1-CD2 3.85Å; I189-L242 HydrophobicContact CG2-CD2 4.39Å
190R96Very high91.7Very high26 Ų2657.2 Ų57.210%0.09830%0.299CS..EExtended strand (participates in β ladder)trans-70.2123.2167.9-176.7-176.8-179.5150.1-12.1109.5L163 S165 N168 G171 T172 D198L163-R190 HydrophobicContact CB-CB 4.4Å; L163-R190 WeakPolarHBondContact O-CD 3.25Å; L163-R190 PolarHBondContact O-NH1 2.7Å; S165-R190 PolarHBondContact O-NH1 2.79Å; N168-R190 PolarHBondContact O-NE 2.67Å; N168-R190 PolarHBondContact O-NH1 2.81Å; G171-R190 PolarHBondContact N-O 2.9Å; T172-R190 PolarHBondContact O-N 3Å; R190-D198 IonicContact CZ-OD1 4Å; R190-D198 VanDerWaalsContact CZ-OD1 3.3Å; R190-D198 IonicContact NE-OD1 3.93Å; R190-D198 PolarHBondContact NE-OD1 2.68Å; R190-D198 IonicContact NH2-OD1 3.79Å; R190-D198 PolarHBondContact NH2-OD1 3.06Å; R190-D198 IonicContact NH2-OD2 3.54Å; R190-D198 PolarHBondContact NH2-OD2 3.27Å
191D94.9Very high91.9Very high4 Ų455.4 Ų55.42%0.02128%0.284CS..EExtended strand (participates in β ladder)trans-125.7170.2176.6-164.224.2000110.2R170 I189 H199 K201 C239R170-D191 IonicContact CZ-OD1 3.2Å; R170-D191 IonicContact NE-OD1 2.74Å; R170-D191 PolarHBondContact NE-OD1 2.88Å; R170-D191 IonicContact NH2-OD1 2.86Å; R170-D191 PolarHBondContact NH2-OD1 2.98Å; I189-D191 PolarHBondContact O-N 3.07Å; D191-H199 PolarHBondContact N-O 2.82Å; D191-H199 PolarHBondContact O-N 2.96Å; D191-H199 VanDerWaalsContact O-O 3.08Å; D191-H199 IonicContact OD2-CE1 3.91Å; D191-H199 IonicContact OD2-NE2 2.67Å; D191-K201 HydrophobicContact CB-CD 4.44Å; D191-K201 IonicContact OD2-NZ 3.13Å; D191-K201 PolarHBondContact OD2-NZ 3.41Å; D191-C239 HydrophobicContact CB-CB 4.48Å; D191-C239 VanDerWaalsContact OD2-CB 3.23Å; D191-C239 WeakPolarHBondContact OD2-CB 3.35Å
192W92.5Very high92.3Very high115 Ų11553.2 Ų53.244%0.43627%0.27SS..EExtended strand (participates in β ladder)trans-145.4137.4176.9-178.196.2000110D194 G197W192-D194 WeakPolarHBondContact CH2-OD1 3.46Å; W192-G197 VanDerWaalsContact CD1-C 3.45Å
193D89.6Confident92.6Very high40 Ų4043.5 Ų43.521%0.21423%0.228CC..EExtended strand (participates in β ladder)trans-141.4161.1168.571.564.2000111.3M195 K196 G197 H199D193-M195 PolarHBondContact O-N 3.31Å; D193-M195 WeakPolarHBondContact OD1-CA 3.22Å; D193-M195 WeakPolarHBondContact OD1-CB 3.42Å; D193-M195 PolarHBondContact OD1-N 3.19Å; D193-K196 PolarHBondContact OD1-N 3.21Å; D193-G197 PolarHBondContact N-O 3.21Å; D193-G197 VanDerWaalsContact O-CA 3.3Å; D193-G197 WeakPolarHBondContact O-CA 3.23Å; D193-G197 PolarHBondContact O-N 2.79Å; D193-H199 IonicContact OD2-CE1 3.04Å; D193-H199 PolarHBondContact OD2-CE1 3.35Å; D193-H199 IonicContact OD2-ND1 2.77Å; D193-H199 IonicContact OD2-NE2 3.89Å
194D88.4Confident92.9Very high147 Ų14743.4 Ų43.479%0.78621%0.211SC*.THydrogen-bonded Turntrans-62.1-25.4-175.2-68-50.2000113.8W192W192-D194 WeakPolarHBondContact CH2-OD1 3.46Å
195M85.8Confident93Very high179 Ų17943 Ų4388%0.88221%0.208SC*.THydrogen-bonded Turntrans-89.6-42.8-175.1-65.2-161.4-64.600112.3D193D193-M195 PolarHBondContact O-N 3.31Å; D193-M195 WeakPolarHBondContact OD1-CA 3.22Å; D193-M195 WeakPolarHBondContact OD1-CB 3.42Å; D193-M195 PolarHBondContact OD1-N 3.19Å
196K83.5Confident92.7Very high101 Ų10147.2 Ų47.244%0.43922%0.224SC..THydrogen-bonded Turntrans-96-21.7-174.9-60.5-172.2-177.5-1670113D193 E528D193-K196 PolarHBondContact OD1-N 3.21Å; K196-E528 WeakPolarHBondContact CE-OE1 3.38Å; K196-E528 IonicContact NZ-OE1 2.6Å; K196-E528 PolarHBondContact NZ-OE1 3.17Å; K196-E528 IonicContact NZ-OE2 3.67Å; K196-E528 PolarHBondContact NZ-OE2 3.24Å
197G89.4Confident92.3Very high22 Ų2253.1 Ų53.123%0.22725%0.249CC..EExtended strand (participates in β ladder)trans68.2-148.5-16500000111.6W192 D193 H199W192-G197 VanDerWaalsContact CD1-C 3.45Å; D193-G197 PolarHBondContact N-O 3.21Å; D193-G197 VanDerWaalsContact O-CA 3.3Å; D193-G197 WeakPolarHBondContact O-CA 3.23Å; D193-G197 PolarHBondContact O-N 2.79Å; G197-H199 PolarHBondContact O-N 3.3Å; G197-H199 PolarHBondContact O-ND1 2.98Å
198D90.7Very high91.8Very high80 Ų8055 Ų5543%0.42826%0.259SS..EExtended strand (participates in β ladder)trans-64125.4176.1-77-69.1000111.1L164 R190L164-D198 HydrophobicContact CD2-CB 3.99Å; R190-D198 IonicContact CZ-OD1 4Å; R190-D198 VanDerWaalsContact CZ-OD1 3.3Å; R190-D198 IonicContact NE-OD1 3.93Å; R190-D198 PolarHBondContact NE-OD1 2.68Å; R190-D198 IonicContact NH2-OD1 3.79Å; R190-D198 PolarHBondContact NH2-OD1 3.06Å; R190-D198 IonicContact NH2-OD2 3.54Å; R190-D198 PolarHBondContact NH2-OD2 3.27Å
199H91.1Very high91.2Very high23 Ų2363.6 Ų63.611%0.10631%0.305CS..EExtended strand (participates in β ladder)trans-148177.217765-80.9000110.7D191 D193 G197 K201D191-H199 PolarHBondContact N-O 2.82Å; D191-H199 PolarHBondContact O-N 2.96Å; D191-H199 VanDerWaalsContact O-O 3.08Å; D191-H199 IonicContact OD2-CE1 3.91Å; D191-H199 IonicContact OD2-NE2 2.67Å; D193-H199 IonicContact OD2-CE1 3.04Å; D193-H199 PolarHBondContact OD2-CE1 3.35Å; D193-H199 IonicContact OD2-ND1 2.77Å; D193-H199 IonicContact OD2-NE2 3.89Å; G197-H199 PolarHBondContact O-N 3.3Å; G197-H199 PolarHBondContact O-ND1 2.98Å; H199-K201 VanDerWaalsContact NE2-CE 3.33Å; H199-K201 WeakPolarHBondContact NE2-CE 3.36Å
200V93.8Very high90.7Very high18 Ų1870.4 Ų70.411%0.10934%0.341CS..EExtended strand (participates in β ladder)trans-124.3134.7179.3178.20000109.9E160 L163 L164 I189E160-V200 HydrophobicContact CB-CG2 4.49Å; E160-V200 HydrophobicContact CG-CB 4.06Å; E160-V200 HydrophobicContact CG-CG1 4.28Å; E160-V200 HydrophobicContact CG-CG2 4.39Å; L163-V200 HydrophobicContact CB-CG2 3.82Å; L163-V200 HydrophobicContact CD1-CG1 3.61Å; L163-V200 HydrophobicContact CD1-CG2 4.16Å; L164-V200 HydrophobicContact CD1-CG2 4.27Å; L164-V200 HydrophobicContact CD2-CG2 3.95Å; L164-V200 HydrophobicContact CG-CG2 3.78Å; I189-V200 WeakPolarHBondContact O-CA 3.34Å
201K93.9Very high90.1Very high42 Ų4270.7 Ų70.718%0.18335%0.353CS..EExtended strand (participates in β ladder)trans-108140.6172.5-77173.8177.4155.50110.3S188 I189 D191 H199 Y203 C239 Q532S188-K201 WeakPolarHBondContact CA-O 3.4Å; I189-K201 PolarHBondContact N-O 2.49Å; I189-K201 PolarHBondContact O-N 3.02Å; D191-K201 HydrophobicContact CB-CD 4.44Å; D191-K201 IonicContact OD2-NZ 3.13Å; D191-K201 PolarHBondContact OD2-NZ 3.41Å; H199-K201 VanDerWaalsContact NE2-CE 3.33Å; H199-K201 WeakPolarHBondContact NE2-CE 3.36Å; K201-Y203 HydrophobicContact CB-CE2 3.89Å; K201-C239 HydrophobicContact CD-CB 3.37Å; K201-Q532 HydrophobicContact CB-CG 4.26Å; K201-Q532 HydrophobicContact CD-CG 4.47Å; K201-Q532 HydrophobicContact CG-CG 4.3Å
202H95.2Very high90Very high3 Ų370.9 Ų70.91%0.01436%0.355CS..EExtended strand (participates in β ladder)trans-116.9132.1179.4-53.5-85.9000110.9R156 E160 L187 S188 Y531 Q532R156-H202 PolarHBondContact NE-NE2 2.92Å; R156-H202 PolarHBondContact NH2-CD2 3.47Å; R156-H202 VanDerWaalsContact NH2-CD2 3.25Å; E160-H202 IonicContact OE1-CE1 2.65Å; E160-H202 IonicContact OE1-NE2 3.76Å; E160-H202 PolarHBondContact OE1-NE2 3.38Å; E160-H202 VanDerWaalsContact OE1-NE2 3.13Å; L187-H202 CarbonylContact O-C 3.56Å; L187-H202 WeakPolarHBondContact O-CA 3.4Å; S188-H202 WeakPolarHBondContact CB-ND1 3.4Å; S188-H202 PolarHBondContact OG-ND1 3.34Å; H202-Y531 HydrophobicContact CB-CD1 3.98Å; H202-Y531 HydrophobicContact CB-CE1 4.09Å; H202-Q532 PolarHBondContact O-N 3.06Å
203Y94.9Very high90Very high9 Ų967.2 Ų67.24%0.03534%0.342CS..EExtended strand (participates in β ladder)trans-120.8126.1178.2-62.1-90.8000108.8S186 L187 I189 K201 I205 I215 L238 C239 Q532 L537S186-Y203 CarbonylContact C-O 3.58Å; S186-Y203 WeakPolarHBondContact CA-O 3.41Å; L187-Y203 PolarHBondContact N-O 3.05Å; L187-Y203 PolarHBondContact O-N 3.26Å; I189-Y203 HydrophobicContact CD1-CD2 3.89Å; I189-Y203 HydrophobicContact CD1-CE2 3.74Å; I189-Y203 HydrophobicContact CG1-CD2 4.43Å; I189-Y203 HydrophobicContact CG1-CE2 4.45Å; K201-Y203 HydrophobicContact CB-CE2 3.89Å; Y203-I205 PolarHBondContact O-N 2.99Å; Y203-I215 HydrophobicContact CD1-CG2 4.21Å; Y203-L238 HydrophobicContact CD1-CD2 3.55Å; Y203-L238 HydrophobicContact CD2-CD2 3.92Å; Y203-L238 HydrophobicContact CE1-CD2 3.57Å; Y203-L238 HydrophobicContact CE2-CD2 3.96Å; Y203-L238 HydrophobicContact CG-CD2 3.73Å; Y203-C239 WeakPolarHBondContact OH-CB 3.41Å; Y203-C239 PolarHBondContact OH-N 3.49Å; Y203-Q532 HydrophobicContact CD1-CB 3.82Å; Y203-Q532 HydrophobicContact CE1-CB 3.49Å; Y203-Q532 VanDerWaalsContact CE1-CB 3.49Å; Y203-Q532 HydrophobicContact CE1-CG 4.02Å; Y203-L537 HydrophobicContact CD1-CD1 4.38Å; Y203-L537 HydrophobicContact CE1-CD2 4.23Å
204K93.4Very high90.1Very high53 Ų5366.8 Ų66.823%0.2334%0.337CS..EExtended strand (participates in β ladder)trans-77.8123.9178.8-169.8176.1-173.5178.50109.4T181 R206 Y531T181-K204 VanDerWaalsContact OG1-CE 3.27Å; T181-K204 WeakPolarHBondContact OG1-CE 3.11Å; T181-K204 PolarHBondContact OG1-NZ 3.47Å; K204-R206 HydrophobicContact CG-CG 4.49Å; K204-Y531 HydrophobicContact CB-CD1 3.87Å; K204-Y531 HydrophobicContact CB-CE1 4.15Å; K204-Y531 HydrophobicContact CB-CG 4.35Å
205I94.2Very high90.1Very high0 Ų060.3 Ų60.30%030%0.303CS..EExtended strand (participates in β ladder)trans-95.9115.4172.3-58159.4000107.9I175 Y185 L187 Y203 Y213 Y214 I215 L224 L227I175-I205 HydrophobicContact CD1-CD1 3.75Å; I175-I205 HydrophobicContact CG1-CD1 4.11Å; I175-I205 HydrophobicContact CG2-CD1 4.07Å; Y185-I205 PolarHBondContact N-O 3Å; Y185-I205 PolarHBondContact O-N 3.05Å; L187-I205 HydrophobicContact CB-CD1 3.84Å; L187-I205 HydrophobicContact CB-CG1 4.22Å; Y203-I205 PolarHBondContact O-N 2.99Å; I205-Y213 HydrophobicContact CG2-CD1 4.28Å; I205-Y214 CarbonylContact C-O 3.53Å; I205-Y214 WeakPolarHBondContact CA-O 3.49Å; I205-I215 HydrophobicContact CG1-CD1 4.17Å; I205-I215 HydrophobicContact CG1-CG1 3.81Å; I205-L224 HydrophobicContact CD1-CD2 4.16Å; I205-L224 HydrophobicContact CG2-CD2 3.72Å; I205-L227 HydrophobicContact CD1-CD2 4.35Å; I205-L227 HydrophobicContact CG1-CD1 4.28Å; I205-L227 HydrophobicContact CG2-CD1 3.81Å
206R89.6Confident90.1Very high130 Ų13052.2 Ų52.249%0.49126%0.263SS..EExtended strand (participates in β ladder)trans-93.3149.8179.3-62.4-178.9-175.3-170.42109.9K204 Y213 Y214K204-R206 HydrophobicContact CG-CG 4.49Å; R206-Y213 VanDerWaalsContact O-CA 3.29Å; R206-Y213 WeakPolarHBondContact O-CA 3.48Å; R206-Y214 HydrophobicContact CB-CD1 4.14Å; R206-Y214 HydrophobicContact CB-CE1 3.6Å; R206-Y214 HydrophobicContact CB-CE2 4.03Å; R206-Y214 VanDerWaalsContact CD-OH 3.28Å; R206-Y214 WeakPolarHBondContact CD-OH 3.5Å; R206-Y214 HydrophobicContact CG-CE2 4.41Å; R206-Y214 PolarHBondContact N-O 2.93Å; R206-Y214 PolarHBondContact O-N 3.44Å
207K89.3Confident90Very high124 Ų12452 Ų5254%0.53927%0.27SS..EExtended strand (participates in β ladder)trans-96.4138.1171.9-167.1179.6179.6-178.40108.9G212 Y213K207-G212 WeakPolarHBondContact CA-O 3.21Å; K207-Y213 HydrophobicContact CB-CD1 4.44Å; K207-Y213 HydrophobicContact CB-CE1 4.35Å; K207-Y213 HydrophobicContact CD-CE1 4.41Å; K207-Y213 HydrophobicContact CG-CD1 4.44Å; K207-Y213 HydrophobicContact CG-CE1 4.05Å
208L86.1Confident89.7Confident38 Ų3860.1 Ų60.120%0.19929%0.294CS..PPolyproline II helixtrans-82.9153.1171.3-63.8162.6000110.3N210 G211 G212 Y214 Q220L208-N210 VanDerWaalsContact C-N 3.26Å; L208-N210 WeakPolarHBondContact CB-OD1 2.99Å; L208-N210 PolarHBondContact O-N 3.22Å; L208-G211 PolarHBondContact O-N 2.89Å; L208-G212 PolarHBondContact N-O 3.35Å; L208-Y214 HydrophobicContact CD1-CD1 4.37Å; L208-Y214 HydrophobicContact CD2-CD1 3.65Å; L208-Y214 HydrophobicContact CD2-CE1 3.39Å; L208-Y214 HydrophobicContact CG-CD1 3.71Å; L208-Y214 HydrophobicContact CG-CE1 3.83Å; L208-Q220 HydrophobicContact CD1-CB 4.21Å; L208-Q220 HydrophobicContact CD1-CG 4.17Å; L208-Q220 VanDerWaalsContact CD1-OE1 3.29Å
209D86.3Confident89.4Confident181 Ų18157.3 Ų57.397%0.96828%0.282SS*.THydrogen-bonded Turntrans-62.6-33.5-179.1-63.7-27.7000112.5G211D209-G211 VanDerWaalsContact C-N 3.27Å; D209-G211 PolarHBondContact O-N 3.3Å
210N85.4Confident89.5Confident143 Ų14361.6 Ų61.677%0.76530%0.302SS*.THydrogen-bonded Turntrans-845.717764.4-24.6000113.9L208L208-N210 VanDerWaalsContact C-N 3.26Å; L208-N210 WeakPolarHBondContact CB-OD1 2.99Å; L208-N210 PolarHBondContact O-N 3.22Å
211G84.9Confident89.5Confident33 Ų3361.8 Ų61.834%0.3430%0.302SS..SBendtrans89.7159-169.300000112.5L208 D209L208-G211 PolarHBondContact O-N 2.89Å; D209-G211 VanDerWaalsContact C-N 3.27Å; D209-G211 PolarHBondContact O-N 3.3Å
212G91.3Very high89.5Confident7 Ų767 Ų677%0.07233%0.326CS..  trans95.8172.9-171.800000114K207 L208 F221K207-G212 WeakPolarHBondContact CA-O 3.21Å; L208-G212 PolarHBondContact N-O 3.35Å; G212-F221 CarbonylContact C-O 3.37Å; G212-F221 WeakPolarHBondContact CA-O 3.37Å
213Y94Very high89.5Confident38 Ų3869.2 Ų69.215%0.14934%0.341CS..EExtended strand (participates in β ladder)trans-140.7147.5-164.4-57.2-80.2000111.5Y185 I205 R206 K207 F221 L224Y185-Y213 HydrophobicContact CD2-CD1 4.33Å; Y185-Y213 HydrophobicContact CD2-CE1 4Å; Y185-Y213 HydrophobicContact CE2-CD1 4.45Å; Y185-Y213 AromaticContact CE2-CE1 3.69Å; Y185-Y213 HydrophobicContact CE2-CE1 3.69Å; I205-Y213 HydrophobicContact CG2-CD1 4.28Å; R206-Y213 VanDerWaalsContact O-CA 3.29Å; R206-Y213 WeakPolarHBondContact O-CA 3.48Å; K207-Y213 HydrophobicContact CB-CD1 4.44Å; K207-Y213 HydrophobicContact CB-CE1 4.35Å; K207-Y213 HydrophobicContact CD-CE1 4.41Å; K207-Y213 HydrophobicContact CG-CD1 4.44Å; K207-Y213 HydrophobicContact CG-CE1 4.05Å; Y213-F221 PolarHBondContact N-O 2.82Å; Y213-F221 PolarHBondContact O-N 2.76Å; Y213-L224 HydrophobicContact CD1-CD1 4.4Å; Y213-L224 HydrophobicContact CD1-CD2 3.84Å; Y213-L224 HydrophobicContact CD1-CG 4.03Å; Y213-L224 HydrophobicContact CD2-CD2 4.14Å; Y213-L224 HydrophobicContact CD2-CG 3.86Å; Y213-L224 HydrophobicContact CE1-CD1 4.23Å; Y213-L224 HydrophobicContact CE1-CD2 4.45Å; Y213-L224 HydrophobicContact CE1-CG 4.2Å; Y213-L224 HydrophobicContact CE2-CG 4.02Å; Y213-L224 HydrophobicContact CG-CD2 3.65Å; Y213-L224 HydrophobicContact CG-CG 3.85Å
214Y91.3Very high89.5Confident31 Ų3169 Ų6912%0.12234%0.34CS..EExtended strand (participates in β ladder)trans-155.3156.2175.169.2-82.2000112I205 R206 L208 T217 A219I205-Y214 CarbonylContact C-O 3.53Å; I205-Y214 WeakPolarHBondContact CA-O 3.49Å; R206-Y214 HydrophobicContact CB-CD1 4.14Å; R206-Y214 HydrophobicContact CB-CE1 3.6Å; R206-Y214 HydrophobicContact CB-CE2 4.03Å; R206-Y214 VanDerWaalsContact CD-OH 3.28Å; R206-Y214 WeakPolarHBondContact CD-OH 3.5Å; R206-Y214 HydrophobicContact CG-CE2 4.41Å; R206-Y214 PolarHBondContact N-O 2.93Å; R206-Y214 PolarHBondContact O-N 3.44Å; L208-Y214 HydrophobicContact CD1-CD1 4.37Å; L208-Y214 HydrophobicContact CD2-CD1 3.65Å; L208-Y214 HydrophobicContact CD2-CE1 3.39Å; L208-Y214 HydrophobicContact CG-CD1 3.71Å; L208-Y214 HydrophobicContact CG-CE1 3.83Å; Y214-T217 HydrophobicContact CD2-CG2 4.22Å; Y214-T217 HydrophobicContact CE2-CG2 3.75Å; Y214-A219 WeakPolarHBondContact CB-O 3.43Å
215I88.8Confident89.6Confident11 Ų1169.5 Ų69.56%0.05634%0.343CS..SBendtrans-102.2-44.3165.3-57.8177.7000109.2L187 Y203 I205 L227 Y231 L238 L537L187-I215 HydrophobicContact CB-CD1 4.49Å; L187-I215 HydrophobicContact CD2-CD1 3.7Å; Y203-I215 HydrophobicContact CD1-CG2 4.21Å; I205-I215 HydrophobicContact CG1-CD1 4.17Å; I205-I215 HydrophobicContact CG1-CG1 3.81Å; I215-L227 HydrophobicContact CD1-CD2 4.41Å; I215-L227 HydrophobicContact CG1-CD1 4.29Å; I215-Y231 HydrophobicContact CD1-CD2 4.31Å; I215-Y231 HydrophobicContact CD1-CE2 3.72Å; I215-Y231 HydrophobicContact CG1-CE2 4.28Å; I215-L238 HydrophobicContact CD1-CD2 4.16Å; I215-L537 HydrophobicContact CB-CD1 4.21Å; I215-L537 HydrophobicContact CG2-CD1 3.36Å
216T84.3Confident89.6Confident9 Ų973.3 Ų73.36%0.05536%0.361CS..SBendtrans-115.7143.2171.3174.30000109.9R218 A219 L537T216-R218 HydrophobicContact CG2-CB 4.31Å; T216-R218 PolarHBondContact O-N 2.82Å; T216-R218 VanDerWaalsContact O-N 3.1Å; T216-R218 PolarHBondContact OG1-N 3.01Å; T216-A219 HydrophobicContact CG2-CB 4.2Å; T216-A219 PolarHBondContact O-N 3.36Å; T216-A219 VanDerWaalsContact O-N 3.14Å; T216-L537 HydrophobicContact CG2-CB 3.86Å; T216-L537 HydrophobicContact CG2-CD1 4.46Å
217T81.6Confident89.9Confident96 Ų9667.1 Ų67.159%0.58934%0.338SS*.THydrogen-bonded Turntrans-63.7-16.7179.951.20000113Y214 A219 Q220Y214-T217 HydrophobicContact CD2-CG2 4.22Å; Y214-T217 HydrophobicContact CE2-CG2 3.75Å; T217-A219 VanDerWaalsContact C-N 3.33Å; T217-Q220 PolarHBondContact O-NE2 2.83Å; T217-Q220 VanDerWaalsContact O-NE2 3.11Å
218R82.8Confident90.3Very high194 Ų19461.7 Ų61.773%0.73232%0.315SS*.THydrogen-bonded Turntrans-70.8-22.8175.8-64178.5179.4164.2-3.6114T216 L537T216-R218 HydrophobicContact CG2-CB 4.31Å; T216-R218 PolarHBondContact O-N 2.82Å; T216-R218 VanDerWaalsContact O-N 3.1Å; T216-R218 PolarHBondContact OG1-N 3.01Å; R218-L537 PolarHBondContact NH1-O 3.03Å
219A85.7Confident90.8Very high21 Ų2165 Ų6517%0.17433%0.329CS..SBendtrans-136.2107.7-177.700000110Y214 T216 T217 F221Y214-A219 WeakPolarHBondContact CB-O 3.43Å; T216-A219 HydrophobicContact CG2-CB 4.2Å; T216-A219 PolarHBondContact O-N 3.36Å; T216-A219 VanDerWaalsContact O-N 3.14Å; T217-A219 VanDerWaalsContact C-N 3.33Å; A219-F221 HydrophobicContact CB-CE2 4.14Å; A219-F221 HydrophobicContact CB-CZ 4Å
220Q92.2Very high91.2Very high112 Ų11257.8 Ų57.852%0.52329%0.29SS..EExtended strand (participates in β ladder)trans-115.7145.2-177.2-58.517423.700109.5L208 T217L208-Q220 HydrophobicContact CD1-CB 4.21Å; L208-Q220 HydrophobicContact CD1-CG 4.17Å; L208-Q220 VanDerWaalsContact CD1-OE1 3.29Å; T217-Q220 PolarHBondContact O-NE2 2.83Å; T217-Q220 VanDerWaalsContact O-NE2 3.11Å
221F94.4Very high91.8Very high23 Ų2351 Ų5110%0.10125%0.254CS..EExtended strand (participates in β ladder)trans-133.7144.3-174-53-80.1000109.8G212 Y213 A219 T223 Q226 L227 H230 Y231G212-F221 CarbonylContact C-O 3.37Å; G212-F221 WeakPolarHBondContact CA-O 3.37Å; Y213-F221 PolarHBondContact N-O 2.82Å; Y213-F221 PolarHBondContact O-N 2.76Å; A219-F221 HydrophobicContact CB-CE2 4.14Å; A219-F221 HydrophobicContact CB-CZ 4Å; F221-T223 VanDerWaalsContact C-N 3.35Å; F221-Q226 HydrophobicContact CB-CB 4.07Å; F221-Q226 HydrophobicContact CD1-CB 4.14Å; F221-Q226 HydrophobicContact CG-CB 4.5Å; F221-L227 HydrophobicContact CB-CB 4.11Å; F221-L227 HydrophobicContact CD2-CB 3.58Å; F221-L227 HydrophobicContact CD2-CD1 3.87Å; F221-L227 HydrophobicContact CD2-CG 3.75Å; F221-L227 HydrophobicContact CE2-CB 4.12Å; F221-L227 HydrophobicContact CE2-CD1 4.29Å; F221-L227 HydrophobicContact CE2-CG 3.94Å; F221-L227 HydrophobicContact CG-CB 3.81Å; F221-L227 HydrophobicContact CG-CG 4.47Å; F221-H230 HydrophobicContact CD1-CB 4.42Å; F221-H230 HydrophobicContact CE1-CB 3.42Å; F221-H230 VanDerWaalsContact CE1-CB 3.42Å; F221-H230 AromaticContact CE1-CG 3.56Å; F221-H230 AromaticContact CE1-ND1 3.62Å; F221-H230 HydrophobicContact CZ-CB 3.64Å; F221-H230 AromaticContact CZ-CD2 3.79Å; F221-H230 AromaticContact CZ-CG 3.48Å; F221-H230 VanDerWaalsContact CZ-CG 3.48Å; F221-H230 AromaticContact CZ-ND1 3.75Å; F221-Y231 HydrophobicContact CE2-CE2 4.07Å; F221-Y231 HydrophobicContact CZ-CE2 4.41Å
222E94.4Very high92.3Very high150 Ų15051 Ų5170%0.70125%0.248SC*.SBendtrans-73.1-33.9178.2-62.3177.3163.700111.1
223T93.9Very high92.6Very high51 Ų5156.7 Ų56.731%0.31327%0.273SS..SBendtrans-129.7159.6-178.271.40000112F221 Q225 Q226 L227F221-T223 VanDerWaalsContact C-N 3.35Å; T223-Q225 VanDerWaalsContact C-N 3.27Å; T223-Q225 PolarHBondContact O-N 3.07Å; T223-Q226 PolarHBondContact O-N 3.2Å; T223-Q226 WeakPolarHBondContact OG1-CG 3.28Å; T223-Q226 PolarHBondContact OG1-N 3Å; T223-L227 PolarHBondContact O-N 3.48Å
224L95.1Very high92.5Very high3 Ų361.8 Ų61.82%0.01629%0.292CS..Hα-helixtrans-69.5-28.3175.1-73.7172.4000111.8I144 W149 Y185 I205 Y213 L227 V228I144-L224 HydrophobicContact CD1-CB 3.94Å; I144-L224 HydrophobicContact CD1-CD1 3.17Å; I144-L224 HydrophobicContact CD1-CG 4.13Å; W149-L224 HydrophobicContact CH2-CB 3.74Å; W149-L224 HydrophobicContact CZ3-CB 4.29Å; Y185-L224 HydrophobicContact CD1-CD1 4.24Å; Y185-L224 HydrophobicContact CD2-CD1 3.66Å; Y185-L224 HydrophobicContact CE1-CD1 4.25Å; Y185-L224 HydrophobicContact CE2-CD1 3.68Å; Y185-L224 HydrophobicContact CG-CD1 3.93Å; I205-L224 HydrophobicContact CD1-CD2 4.16Å; I205-L224 HydrophobicContact CG2-CD2 3.72Å; Y213-L224 HydrophobicContact CD1-CD1 4.4Å; Y213-L224 HydrophobicContact CD1-CD2 3.84Å; Y213-L224 HydrophobicContact CD1-CG 4.03Å; Y213-L224 HydrophobicContact CD2-CD2 4.14Å; Y213-L224 HydrophobicContact CD2-CG 3.86Å; Y213-L224 HydrophobicContact CE1-CD1 4.23Å; Y213-L224 HydrophobicContact CE1-CD2 4.45Å; Y213-L224 HydrophobicContact CE1-CG 4.2Å; Y213-L224 HydrophobicContact CE2-CG 4.02Å; Y213-L224 HydrophobicContact CG-CD2 3.65Å; Y213-L224 HydrophobicContact CG-CG 3.85Å; L224-L227 HydrophobicContact CD2-CD1 4.24Å; L224-L227 WeakPolarHBondContact O-CB 3.21Å; L224-L227 PolarHBondContact O-N 3.28Å; L224-V228 WeakPolarHBondContact O-CG2 3.32Å; L224-V228 PolarHBondContact O-N 3.34Å
225Q95.2Very high92.5Very high64 Ų6461.9 Ų61.930%0.29930%0.299SS..Hα-helixtrans-58.3-47.5171.4-69.179.9-6.500111.5E147 W149 T223 L227 V228 Q229E147-Q225 HydrophobicContact CG-CG 4.44Å; E147-Q225 WeakPolarHBondContact OE1-CG 3.44Å; E147-Q225 PolarHBondContact OE1-NE2 3.43Å; W149-Q225 HydrophobicContact CZ2-CG 4.11Å; T223-Q225 VanDerWaalsContact C-N 3.27Å; T223-Q225 PolarHBondContact O-N 3.07Å; Q225-L227 VanDerWaalsContact C-N 3.32Å; Q225-L227 PolarHBondContact O-N 3.3Å; Q225-V228 PolarHBondContact O-N 3.36Å; Q225-Q229 WeakPolarHBondContact O-CB 3.11Å; Q225-Q229 PolarHBondContact O-N 2.9Å
226Q95.8Very high92.5Very high81 Ų8162.8 Ų62.838%0.37931%0.308SS..Hα-helixtrans-63.1-39.4176.8-73.3172.9-1.600111.8F221 T223 Q229 H230F221-Q226 HydrophobicContact CB-CB 4.07Å; F221-Q226 HydrophobicContact CD1-CB 4.14Å; F221-Q226 HydrophobicContact CG-CB 4.5Å; T223-Q226 PolarHBondContact O-N 3.2Å; T223-Q226 WeakPolarHBondContact OG1-CG 3.28Å; T223-Q226 PolarHBondContact OG1-N 3Å; Q226-Q229 PolarHBondContact O-N 3.34Å; Q226-H230 WeakPolarHBondContact O-CB 3.49Å; Q226-H230 PolarHBondContact O-N 2.89Å
227L96.1Very high92.5Very high0 Ų064.3 Ų64.30%033%0.326CS..Hα-helixtrans-60.2-49.1174.6-177.4154.9000111.1I175 I205 I215 F221 T223 L224 Q225 H230 Y231I175-L227 HydrophobicContact CD1-CD2 4.44Å; I205-L227 HydrophobicContact CD1-CD2 4.35Å; I205-L227 HydrophobicContact CG1-CD1 4.28Å; I205-L227 HydrophobicContact CG2-CD1 3.81Å; I215-L227 HydrophobicContact CD1-CD2 4.41Å; I215-L227 HydrophobicContact CG1-CD1 4.29Å; F221-L227 HydrophobicContact CB-CB 4.11Å; F221-L227 HydrophobicContact CD2-CB 3.58Å; F221-L227 HydrophobicContact CD2-CD1 3.87Å; F221-L227 HydrophobicContact CD2-CG 3.75Å; F221-L227 HydrophobicContact CE2-CB 4.12Å; F221-L227 HydrophobicContact CE2-CD1 4.29Å; F221-L227 HydrophobicContact CE2-CG 3.94Å; F221-L227 HydrophobicContact CG-CB 3.81Å; F221-L227 HydrophobicContact CG-CG 4.47Å; T223-L227 PolarHBondContact O-N 3.48Å; L224-L227 HydrophobicContact CD2-CD1 4.24Å; L224-L227 WeakPolarHBondContact O-CB 3.21Å; L224-L227 PolarHBondContact O-N 3.28Å; Q225-L227 VanDerWaalsContact C-N 3.32Å; Q225-L227 PolarHBondContact O-N 3.3Å; L227-H230 PolarHBondContact O-N 2.93Å; L227-Y231 HydrophobicContact CD2-CD2 3.74Å; L227-Y231 HydrophobicContact CD2-CE2 4.04Å; L227-Y231 HydrophobicContact CG-CD2 3.95Å; L227-Y231 HydrophobicContact CG-CE2 3.9Å; L227-Y231 VanDerWaalsContact O-CD2 3.23Å; L227-Y231 WeakPolarHBondContact O-CD2 3.22Å; L227-Y231 PolarHBondContact O-N 2.84Å; L227-Y231 VanDerWaalsContact O-N 3.14Å
228V96.9Very high93Very high10 Ų1060.2 Ų60.26%0.06130%0.3CS..Hα-helixtrans-62.5-45.3178.8170.30000110.9W149 F173 I175 L224 Q225 H230 Y231 S232 L242W149-V228 HydrophobicContact CD2-CG2 3.88Å; W149-V228 HydrophobicContact CE3-CG2 4.03Å; W149-V228 HydrophobicContact CG-CG1 4.45Å; W149-V228 HydrophobicContact CG-CG2 4.5Å; W149-V228 HydrophobicContact CH2-CG2 4.17Å; W149-V228 HydrophobicContact CZ2-CB 4.49Å; W149-V228 HydrophobicContact CZ2-CG2 4.01Å; W149-V228 HydrophobicContact CZ3-CG2 4.18Å; F173-V228 HydrophobicContact CE2-CG1 3.68Å; F173-V228 HydrophobicContact CE2-CG2 4.21Å; F173-V228 HydrophobicContact CZ-CG1 3.63Å; I175-V228 HydrophobicContact CD1-CG2 3.49Å; I175-V228 VanDerWaalsContact CD1-CG2 3.49Å; L224-V228 WeakPolarHBondContact O-CG2 3.32Å; L224-V228 PolarHBondContact O-N 3.34Å; Q225-V228 PolarHBondContact O-N 3.36Å; V228-H230 PolarHBondContact O-N 2.99Å; V228-Y231 PolarHBondContact O-N 2.62Å; V228-S232 VanDerWaalsContact O-CB 3.27Å; V228-S232 WeakPolarHBondContact O-CB 3.39Å; V228-S232 PolarHBondContact O-N 3.14Å; V228-S232 PolarHBondContact O-OG 3.36Å; V228-L242 HydrophobicContact CG1-CD1 4.41Å
229Q96.3Very high93.4Very high107 Ų10752.1 Ų52.150%0.527%0.273SS..Hα-helixtrans-57.1-48.7177.4-177.961.62500111.3Q225 Q226 Y231 S232 E233Q225-Q229 WeakPolarHBondContact O-CB 3.11Å; Q225-Q229 PolarHBondContact O-N 2.9Å; Q226-Q229 PolarHBondContact O-N 3.34Å; Q229-Y231 PolarHBondContact O-N 3.27Å; Q229-S232 WeakPolarHBondContact O-CB 3.29Å; Q229-S232 PolarHBondContact O-N 2.8Å; Q229-S232 VanDerWaalsContact O-N 3.13Å; Q229-E233 PolarHBondContact NE2-OE1 3.42Å; Q229-E233 WeakPolarHBondContact O-CG 3.33Å; Q229-E233 PolarHBondContact O-N 2.78Å; Q229-E233 VanDerWaalsContact O-N 3.08Å
230H96.1Very high93.8Very high30 Ų3052 Ų5214%0.13927%0.27CS..Hα-helixtrans-57.5-48.8179.2179.1106.2000112.8F221 Q226 L227 V228 S232 E233 R234F221-H230 HydrophobicContact CD1-CB 4.42Å; F221-H230 HydrophobicContact CE1-CB 3.42Å; F221-H230 VanDerWaalsContact CE1-CB 3.42Å; F221-H230 AromaticContact CE1-CG 3.56Å; F221-H230 AromaticContact CE1-ND1 3.62Å; F221-H230 HydrophobicContact CZ-CB 3.64Å; F221-H230 AromaticContact CZ-CD2 3.79Å; F221-H230 AromaticContact CZ-CG 3.48Å; F221-H230 VanDerWaalsContact CZ-CG 3.48Å; F221-H230 AromaticContact CZ-ND1 3.75Å; Q226-H230 WeakPolarHBondContact O-CB 3.49Å; Q226-H230 PolarHBondContact O-N 2.89Å; L227-H230 PolarHBondContact O-N 2.93Å; V228-H230 PolarHBondContact O-N 2.99Å; H230-S232 VanDerWaalsContact C-N 3.26Å; H230-S232 PolarHBondContact O-N 2.99Å; H230-E233 PolarHBondContact O-N 3.49Å; H230-R234 PolarHBondContact CE1-NE 3.02Å; H230-R234 PolarHBondContact CE1-NH2 3.21Å; H230-R234 PolarHBondContact O-N 3.43Å
231Y96.2Very high94Very high1 Ų152.2 Ų52.20%0.00427%0.267CS..Hα-helixtrans-77-13.7-179.3-71.4-65.1000113.3I215 F221 L227 V228 Q229 R234 A235 A236 L238 L242I215-Y231 HydrophobicContact CD1-CD2 4.31Å; I215-Y231 HydrophobicContact CD1-CE2 3.72Å; I215-Y231 HydrophobicContact CG1-CE2 4.28Å; F221-Y231 HydrophobicContact CE2-CE2 4.07Å; F221-Y231 HydrophobicContact CZ-CE2 4.41Å; L227-Y231 HydrophobicContact CD2-CD2 3.74Å; L227-Y231 HydrophobicContact CD2-CE2 4.04Å; L227-Y231 HydrophobicContact CG-CD2 3.95Å; L227-Y231 HydrophobicContact CG-CE2 3.9Å; L227-Y231 VanDerWaalsContact O-CD2 3.23Å; L227-Y231 WeakPolarHBondContact O-CD2 3.22Å; L227-Y231 PolarHBondContact O-N 2.84Å; L227-Y231 VanDerWaalsContact O-N 3.14Å; V228-Y231 PolarHBondContact O-N 2.62Å; Q229-Y231 PolarHBondContact O-N 3.27Å; Y231-R234 CarbonylContact C-O 3.41Å; Y231-R234 VanDerWaalsContact CA-O 3.27Å; Y231-R234 WeakPolarHBondContact CA-O 3.32Å; Y231-R234 VanDerWaalsContact O-O 3.1Å; Y231-A235 WeakPolarHBondContact CD1-O 3.35Å; Y231-A236 HydrophobicContact CD1-CB 4.03Å; Y231-A236 HydrophobicContact CE1-CB 3.76Å; Y231-L238 HydrophobicContact CD1-CD1 3.22Å; Y231-L238 HydrophobicContact CD1-CG 3.57Å; Y231-L238 HydrophobicContact CD2-CD1 4.15Å; Y231-L238 HydrophobicContact CE1-CD1 3.76Å; Y231-L238 HydrophobicContact CE1-CD2 4.23Å; Y231-L238 HydrophobicContact CE1-CG 3.65Å; Y231-L238 HydrophobicContact CG-CD1 3.45Å; Y231-L238 VanDerWaalsContact CG-CD1 3.45Å; Y231-L238 HydrophobicContact CG-CG 4.28Å; Y231-L242 PolarHBondContact O-N 3.02Å
232S96.8Very high94.1Very high33 Ų3351.2 Ų51.223%0.23126%0.262CS..Hα-helixtrans-80.1-26.9170.6-58.30000112.8V228 Q229 H230 R241 L242V228-S232 VanDerWaalsContact O-CB 3.27Å; V228-S232 WeakPolarHBondContact O-CB 3.39Å; V228-S232 PolarHBondContact O-N 3.14Å; V228-S232 PolarHBondContact O-OG 3.36Å; Q229-S232 WeakPolarHBondContact O-CB 3.29Å; Q229-S232 PolarHBondContact O-N 2.8Å; Q229-S232 VanDerWaalsContact O-N 3.13Å; H230-S232 VanDerWaalsContact C-N 3.26Å; H230-S232 PolarHBondContact O-N 2.99Å; S232-R241 WeakPolarHBondContact O-CD 3.45Å; S232-R241 WeakPolarHBondContact O-CG 3.47Å; S232-R241 PolarHBondContact O-NH1 3.43Å; S232-L242 WeakPolarHBondContact CA-O 3.36Å
233E96.2Very high94.3Very high125 Ų12547.2 Ų47.258%0.58425%0.248SC*.Hα-helixtrans-80.6-38.6175-71.7170.7-171.900112Q229 H230 R241Q229-E233 PolarHBondContact NE2-OE1 3.42Å; Q229-E233 WeakPolarHBondContact O-CG 3.33Å; Q229-E233 PolarHBondContact O-N 2.78Å; Q229-E233 VanDerWaalsContact O-N 3.08Å; H230-E233 PolarHBondContact O-N 3.49Å; E233-R241 WeakPolarHBondContact O-CD 3.3Å
234R93.1Very high94.4Very high146 Ų14647.5 Ų47.555%0.55125%0.249SC*.  trans-150152.4-178.755.8177.9171.7-164.3-10.2111.7H230 Y231 A236H230-R234 PolarHBondContact CE1-NE 3.02Å; H230-R234 PolarHBondContact CE1-NH2 3.21Å; H230-R234 PolarHBondContact O-N 3.43Å; Y231-R234 CarbonylContact C-O 3.41Å; Y231-R234 VanDerWaalsContact CA-O 3.27Å; Y231-R234 WeakPolarHBondContact CA-O 3.32Å; Y231-R234 VanDerWaalsContact O-O 3.1Å; R234-A236 VanDerWaalsContact C-N 3.34Å; R234-A236 HydrophobicContact CG-CB 4.2Å; R234-A236 PolarHBondContact O-N 2.83Å
235A90.5Very high94.4Very high33 Ų3349.5 Ų49.527%0.27326%0.262SS..  trans-65-36.1179.200000113.1Y231 G237 L238Y231-A235 WeakPolarHBondContact CD1-O 3.35Å; A235-G237 VanDerWaalsContact C-N 3.25Å; A235-G237 PolarHBondContact O-N 3.43Å; A235-G237 VanDerWaalsContact O-N 3.16Å; A235-L238 VanDerWaalsContact O-CB 3.25Å; A235-L238 WeakPolarHBondContact O-CB 3.28Å; A235-L238 WeakPolarHBondContact O-CG 3.29Å; A235-L238 PolarHBondContact O-N 3.18Å
236A88.7Confident94.3Very high30 Ų3046.6 Ų46.625%0.24825%0.249CC..THydrogen-bonded Turntrans43.450.9178.800000113Y231 R234 L238Y231-A236 HydrophobicContact CD1-CB 4.03Å; Y231-A236 HydrophobicContact CE1-CB 3.76Å; R234-A236 VanDerWaalsContact C-N 3.34Å; R234-A236 HydrophobicContact CG-CB 4.2Å; R234-A236 PolarHBondContact O-N 2.83Å; A236-L238 PolarHBondContact O-N 3.06Å
237G84.5Confident93.8Very high41 Ų4150 Ų5042%0.42327%0.265SS..THydrogen-bonded Turntrans90.6-22.4-179.600000115.6A235 L537A235-G237 VanDerWaalsContact C-N 3.25Å; A235-G237 PolarHBondContact O-N 3.43Å; A235-G237 VanDerWaalsContact O-N 3.16Å; G237-L537 VanDerWaalsContact CA-CD2 3.48Å; G237-L537 WeakPolarHBondContact O-CD2 3.46Å
238L92.2Very high92.8Very high9 Ų951.6 Ų51.65%0.04727%0.272CS..SBendtrans-60.4159.6174.9-59.1-177.7000110.3L187 I189 Y203 I215 Y231 A235 A236 C240 L242 L537L187-L238 HydrophobicContact CD2-CD1 3.89Å; I189-L238 HydrophobicContact CD1-CB 4.41Å; I189-L238 HydrophobicContact CD1-CD1 3.9Å; Y203-L238 HydrophobicContact CD1-CD2 3.55Å; Y203-L238 HydrophobicContact CD2-CD2 3.92Å; Y203-L238 HydrophobicContact CE1-CD2 3.57Å; Y203-L238 HydrophobicContact CE2-CD2 3.96Å; Y203-L238 HydrophobicContact CG-CD2 3.73Å; I215-L238 HydrophobicContact CD1-CD2 4.16Å; Y231-L238 HydrophobicContact CD1-CD1 3.22Å; Y231-L238 HydrophobicContact CD1-CG 3.57Å; Y231-L238 HydrophobicContact CD2-CD1 4.15Å; Y231-L238 HydrophobicContact CE1-CD1 3.76Å; Y231-L238 HydrophobicContact CE1-CD2 4.23Å; Y231-L238 HydrophobicContact CE1-CG 3.65Å; Y231-L238 HydrophobicContact CG-CD1 3.45Å; Y231-L238 VanDerWaalsContact CG-CD1 3.45Å; Y231-L238 HydrophobicContact CG-CG 4.28Å; A235-L238 VanDerWaalsContact O-CB 3.25Å; A235-L238 WeakPolarHBondContact O-CB 3.28Å; A235-L238 WeakPolarHBondContact O-CG 3.29Å; A235-L238 PolarHBondContact O-N 3.18Å; A236-L238 PolarHBondContact O-N 3.06Å; L238-C240 WeakPolarHBondContact CB-O 3.22Å; L238-C240 PolarHBondContact O-N 3.41Å; L238-C240 VanDerWaalsContact O-N 3.14Å; L238-L242 HydrophobicContact CD1-CD2 4.36Å; L238-L537 HydrophobicContact CD2-CD1 4.36Å; L238-L537 HydrophobicContact CD2-CD2 4.13Å
239C91.8Very high91.6Very high25 Ų2553.4 Ų53.417%0.16929%0.292CS..SBendtrans-58.6-29.4-179.559.10000113.8R170 D191 K201 Y203R170-C239 PolarHBondContact NH2-O 3.13Å; D191-C239 HydrophobicContact CB-CB 4.48Å; D191-C239 VanDerWaalsContact OD2-CB 3.23Å; D191-C239 WeakPolarHBondContact OD2-CB 3.35Å; K201-C239 HydrophobicContact CD-CB 3.37Å; Y203-C239 WeakPolarHBondContact OH-CB 3.41Å; Y203-C239 PolarHBondContact OH-N 3.49Å
240C93.5Very high90.7Very high17 Ų1753.9 Ų53.912%0.11530%0.296CS..SBendtrans-157.8167.9169.556.60000109.8L238L238-C240 WeakPolarHBondContact CB-O 3.22Å; L238-C240 PolarHBondContact O-N 3.41Å; L238-C240 VanDerWaalsContact O-N 3.14Å
241R96.3Very high89.8Confident118 Ų11853.8 Ų53.845%0.44530%0.298SS..  trans-64.4146.2170.2178171.967.577.7-5.3109.8S232 E233 V243S232-R241 WeakPolarHBondContact O-CD 3.45Å; S232-R241 WeakPolarHBondContact O-CG 3.47Å; S232-R241 PolarHBondContact O-NH1 3.43Å; E233-R241 WeakPolarHBondContact O-CD 3.3Å; R241-V243 PolarHBondContact O-N 3.36Å
242L97.5Very high88.6Confident1 Ų159.2 Ų59.21%0.00532%0.319CS..  trans-70.4122.9170.4-53.3-176.1000109F173 L187 I189 V228 Y231 S232 L238F173-L242 HydrophobicContact CB-CD2 3.76Å; F173-L242 HydrophobicContact CD1-CB 3.65Å; F173-L242 HydrophobicContact CD1-CD1 4.47Å; F173-L242 HydrophobicContact CD1-CD2 4.18Å; F173-L242 HydrophobicContact CD1-CG 4.3Å; F173-L242 HydrophobicContact CD2-CD1 3.93Å; F173-L242 HydrophobicContact CD2-CD2 4.27Å; F173-L242 HydrophobicContact CD2-CG 4.48Å; F173-L242 HydrophobicContact CE1-CB 3.74Å; F173-L242 HydrophobicContact CE2-CD1 3.98Å; F173-L242 HydrophobicContact CG-CB 4.1Å; F173-L242 HydrophobicContact CG-CD1 4.19Å; F173-L242 HydrophobicContact CG-CD2 3.81Å; F173-L242 HydrophobicContact CG-CG 4.24Å; F173-L242 HydrophobicContact CZ-CB 4.26Å; F173-L242 HydrophobicContact CZ-CD1 4.28Å; L187-L242 HydrophobicContact CD1-CD1 4.32Å; L187-L242 HydrophobicContact CD1-CD2 4.16Å; L187-L242 HydrophobicContact CD2-CD1 4.45Å; L187-L242 HydrophobicContact CD2-CD2 4.25Å; I189-L242 HydrophobicContact CD1-CD2 3.55Å; I189-L242 HydrophobicContact CG1-CD2 3.85Å; I189-L242 HydrophobicContact CG2-CD2 4.39Å; V228-L242 HydrophobicContact CG1-CD1 4.41Å; Y231-L242 PolarHBondContact O-N 3.02Å; S232-L242 WeakPolarHBondContact CA-O 3.36Å; L238-L242 HydrophobicContact CD1-CD2 4.36Å
243V96.8Very high87.7Confident66 Ų6658 Ų5840%0.431%0.309SS..  trans-104.7-56.3-172.5177.50000110.8G171 R241G171-V243 PolarHBondContact O-N 2.93Å; R241-V243 PolarHBondContact O-N 3.36Å
244V96.3Very high86.6Confident57 Ų5753.9 Ų53.935%0.34529%0.293SS..EExtended strand (participates in β ladder)trans-144143.6-179.4-74.10000110.8P169 T172 F173P169-V244 HydrophobicContact CG-CG2 3.84Å; T172-V244 CarbonylContact C-O 3.52Å; T172-V244 VanDerWaalsContact CA-O 3.25Å; T172-V244 WeakPolarHBondContact CA-O 3.49Å; T172-V244 HydrophobicContact CG2-CG2 4.4Å; F173-V244 WeakPolarHBondContact CD1-O 3.3Å; F173-V244 VanDerWaalsContact CE1-C 3.42Å; F173-V244 PolarHBondContact N-O 3.42Å
245P95.5Very high86Confident45 Ų4547 Ų4729%0.29227%0.267SS..EExtended strand (participates in β ladder)trans-56.7144.4167.2-24.935.5000111.4E148 W149 F173E148-P245 HydrophobicContact CB-CB 4.43Å; W149-P245 HydrophobicContact CB-CB 3.97Å; W149-P245 HydrophobicContact CB-CG 4.18Å; F173-P245 HydrophobicContact CE1-CG 4.28Å; F173-P245 HydrophobicContact CZ-CG 4.19Å; F173-P245 CarbonylContact O-C 3.34Å; F173-P245 WeakPolarHBondContact O-CA 3.4Å
246C93.5Very high85.5Confident4 Ų445.4 Ų45.43%0.02725%0.254CS..  trans-61.2138169.8-170.80000109.5F151 L163 T172 F173 L174 K248F151-C246 HydrophobicContact CE2-CB 4.1Å; F151-C246 HydrophobicContact CZ-CB 3.81Å; F151-C246 WeakPolarHBondContact CZ-O 3.36Å; L163-C246 HydrophobicContact CD2-CB 3.81Å; T172-C246 HydrophobicContact CG2-CB 3.95Å; F173-C246 PolarHBondContact O-N 3.36Å; L174-C246 HydrophobicContact CB-CB 4.19Å; L174-C246 HydrophobicContact CD2-CB 4.03Å; C246-K248 PolarHBondContact O-N 3.28Å; C246-K248 VanDerWaalsContact O-N 3.13Å
247H84.3Confident85Confident151 Ų15144.1 Ų44.170%0.69924%0.243SC*.  trans-67.2114.7177.8-172.771.3000110.2G249H247-G249 PolarHBondContact O-N 3.09Å
248K76.5Confident84.7Confident34 Ų3443 Ų4315%0.14823%0.228CC..PPolyproline II helixtrans-72116.2168.2-73.3174.2173.9170.60108.4Y91 E147 E148 Y150 F151 C246Y91-K248 HydrophobicContact CE1-CB 4.08Å; E147-K248 PolarHBondContact O-NZ 2.86Å; E148-K248 WeakPolarHBondContact O-CD 3.41Å; E148-K248 WeakPolarHBondContact O-CE 3.43Å; E148-K248 PolarHBondContact O-NZ 2.99Å; Y150-K248 WeakPolarHBondContact O-CE 3.19Å; Y150-K248 PolarHBondContact O-NZ 2.9Å; F151-K248 HydrophobicContact CD1-CG 4.03Å; F151-K248 HydrophobicContact CD2-CG 4.31Å; F151-K248 HydrophobicContact CE1-CB 4.24Å; F151-K248 HydrophobicContact CE1-CD 4.45Å; F151-K248 HydrophobicContact CE1-CG 3.33Å; F151-K248 HydrophobicContact CE2-CD 4.3Å; F151-K248 HydrophobicContact CE2-CG 3.68Å; F151-K248 HydrophobicContact CG-CG 4.49Å; F151-K248 HydrophobicContact CZ-CB 4.2Å; F151-K248 HydrophobicContact CZ-CD 4.23Å; F151-K248 HydrophobicContact CZ-CG 3.16Å; C246-K248 PolarHBondContact O-N 3.28Å; C246-K248 VanDerWaalsContact O-N 3.13Å
249G72.2Confident84Confident48 Ų4848.9 Ų48.950%0.49525%0.253SS..PPolyproline II helixtrans-59.9148164.100000110.1H247H247-G249 PolarHBondContact O-N 3.09Å
250M76.7Confident83.2Confident118 Ų11848 Ų4858%0.58125%0.247SC*.PPolyproline II helixtrans-56.1129.1175.3-172.117574.500109.8Y91 Y137Y91-M250 HydrophobicContact CG-CG 4.48Å; Y137-M250 HydrophobicContact CE1-CG 3.91Å; Y137-M250 HydrophobicContact CE1-SD 4.05Å; Y137-M250 VanDerWaalsContact OH-CG 3.22Å; Y137-M250 WeakPolarHBondContact OH-CG 3.35Å
251P76.3Confident82.2Confident28 Ų2849 Ų4918%0.18225%0.25CC..PPolyproline II helixtrans-65.9141.9-176.824.2-30.1000109.3Y91 Y137Y91-P251 HydrophobicContact CD2-CG 3.64Å; Y91-P251 HydrophobicContact CE2-CG 3.37Å; Y91-P251 HydrophobicContact CG-CG 4.44Å; Y137-P251 HydrophobicContact CD2-CG 3.76Å; Y137-P251 HydrophobicContact CE2-CB 4.35Å; Y137-P251 HydrophobicContact CE2-CG 3.56Å; Y137-P251 WeakPolarHBondContact CE2-O 3.25Å; Y137-P251 HydrophobicContact CG-CG 4.44Å; Y137-P251 PolarHBondContact OH-O 3.09Å
252R72.3Confident80.8Confident114 Ų11449 Ų4943%0.4326%0.258SS..PPolyproline II helixtrans-74.1137.5178.1-60.5-171.7-168.3-137.1-2.1108.5N136 E343N136-R252 PolarHBondContact ND2-O 3.09Å; N136-R252 VanDerWaalsContact ND2-O 3.11Å; R252-E343 WeakPolarHBondContact CD-OE2 3.25Å; R252-E343 IonicContact CZ-OE2 3.98Å; R252-E343 IonicContact NE-OE2 3.67Å; R252-E343 IonicContact NH1-OE2 3.97Å; R252-E343 PolarHBondContact NH1-OE2 3.14Å
253L76.5Confident79.6Confident7 Ų753.5 Ų53.54%0.03729%0.286CS..PPolyproline II helixtrans-74.9137167-61.3-174.9000108.6Y93 R96 W119 P134 Y137 D255 Y330Y93-L253 HydrophobicContact CE2-CD1 3.74Å; R96-L253 VanDerWaalsContact NH1-CD1 3.27Å; W119-L253 HydrophobicContact CH2-CD1 3.94Å; W119-L253 HydrophobicContact CZ2-CD1 4.17Å; P134-L253 HydrophobicContact CB-CD2 3.33Å; P134-L253 HydrophobicContact CG-CD2 3.87Å; Y137-L253 HydrophobicContact CD2-CD2 3.99Å; Y137-L253 HydrophobicContact CE2-CD2 3.38Å; Y137-L253 HydrophobicContact CE2-CG 4.2Å; L253-D255 VanDerWaalsContact C-N 3.34Å; L253-D255 WeakPolarHBondContact CB-O 3.44Å; L253-Y330 WeakPolarHBondContact O-CE1 3.39Å; L253-Y330 PolarHBondContact O-OH 3.43Å
254T72.8Confident78.7Confident39 Ų3950.9 Ų50.924%0.23927%0.269CS..SBendtrans-73.8-29.7176.9400000111.7D118 Q328D118-T254 PolarHBondContact OD2-OG1 2.93Å; T254-Q328 WeakPolarHBondContact O-CG 3.46Å
255D80.8Confident78.4Confident2 Ų252.7 Ų52.71%0.01127%0.273CS..SBendtrans-135.4167.6-176.5-58.4-69.5000110.5L253 K322L253-D255 VanDerWaalsContact C-N 3.34Å; L253-D255 WeakPolarHBondContact CB-O 3.44Å; D255-K322 IonicContact OD1-NZ 3.72Å; D255-K322 IonicContact OD2-NZ 3.76Å
256L81.1Confident78.2Confident0 Ų051.2 Ų51.20%026%0.263CS..SBendtrans-76.9-44.6-179.1-70.4170.2000112.4R96 T260 W290 T294 V296 Y330 A331R96-L256 WeakPolarHBondContact CD-O 3.49Å; L256-T260 HydrophobicContact CB-CG2 4.1Å; L256-T260 WeakPolarHBondContact CB-OG1 3.42Å; L256-T260 PolarHBondContact N-OG1 2.86Å; L256-W290 HydrophobicContact CB-CD2 4.16Å; L256-W290 HydrophobicContact CB-CE3 3.82Å; L256-W290 HydrophobicContact CB-CH2 3.71Å; L256-W290 HydrophobicContact CB-CZ2 4.05Å; L256-W290 HydrophobicContact CB-CZ3 3.58Å; L256-W290 HydrophobicContact CD1-CD2 3.8Å; L256-W290 HydrophobicContact CD1-CE3 4.22Å; L256-W290 HydrophobicContact CD1-CG 3.96Å; L256-W290 HydrophobicContact CD1-CZ2 4.46Å; L256-W290 HydrophobicContact CD2-CD2 4.13Å; L256-W290 HydrophobicContact CD2-CE3 3.81Å; L256-W290 HydrophobicContact CD2-CG 4.46Å; L256-W290 HydrophobicContact CD2-CZ3 4.36Å; L256-W290 HydrophobicContact CG-CD2 4.25Å; L256-W290 HydrophobicContact CG-CE3 4.15Å; L256-W290 HydrophobicContact CG-CZ3 4.41Å; L256-T294 HydrophobicContact CD2-CG2 3.86Å; L256-V296 HydrophobicContact CD2-CG1 4.15Å; L256-Y330 HydrophobicContact CD2-CD2 3.93Å; L256-Y330 HydrophobicContact CD2-CG 4.01Å; L256-Y330 HydrophobicContact CG-CG 4.13Å; L256-A331 HydrophobicContact CD1-CB 3.72Å
257S78.5Confident78.2Confident2 Ų255 Ų551%0.01429%0.287CS..  trans-155.9174.9174.368.70000111.9W119 K259 T260 K261W119-S257 VanDerWaalsContact CZ2-CA 3.45Å; S257-K259 PolarHBondContact O-N 2.96Å; S257-K259 PolarHBondContact OG-N 2.69Å; S257-T260 PolarHBondContact N-OG1 3.23Å; S257-T260 PolarHBondContact O-N 3.4Å; S257-T260 VanDerWaalsContact O-N 3.17Å; S257-T260 PolarHBondContact O-OG1 3.35Å; S257-T260 PolarHBondContact OG-N 2.75Å; S257-K261 PolarHBondContact O-N 3.44Å
258V77.6Confident78.7Confident18 Ų1850.4 Ų50.411%0.10926%0.264CS..Hα-helixtrans-55.8-38.517269.90000112.3E116 W119 Y132 T260 K261E116-V258 HydrophobicContact CB-CG2 4.44Å; E116-V258 HydrophobicContact CG-CG2 4.5Å; W119-V258 HydrophobicContact CB-CB 3.99Å; W119-V258 HydrophobicContact CB-CG2 4.05Å; W119-V258 HydrophobicContact CD2-CB 4.43Å; W119-V258 HydrophobicContact CG-CB 3.99Å; W119-V258 HydrophobicContact CG-CG2 4.47Å; Y132-V258 HydrophobicContact CD1-CB 4.39Å; Y132-V258 HydrophobicContact CD1-CG1 4.5Å; Y132-V258 HydrophobicContact CD1-CG2 4.21Å; Y132-V258 HydrophobicContact CD2-CB 4.46Å; Y132-V258 HydrophobicContact CD2-CG1 3.75Å; Y132-V258 HydrophobicContact CE1-CG2 4.08Å; Y132-V258 HydrophobicContact CE2-CG1 3.93Å; Y132-V258 HydrophobicContact CG-CB 4.28Å; Y132-V258 HydrophobicContact CG-CG1 4.04Å; V258-T260 VanDerWaalsContact C-N 3.33Å; V258-T260 PolarHBondContact O-N 2.69Å; V258-K261 VanDerWaalsContact O-CB 3.28Å; V258-K261 WeakPolarHBondContact O-CB 3.21Å; V258-K261 PolarHBondContact O-N 3.12Å
259K77.1Confident79.6Confident132 Ų13256.5 Ų56.557%0.57429%0.293SS*.Hα-helixtrans-68-32.5179.8-73.2175.8173.1161.60112.3D99 S257 V263D99-K259 IonicContact OD1-NZ 3.45Å; D99-K259 PolarHBondContact OD1-NZ 3.11Å; D99-K259 WeakPolarHBondContact OD2-CE 3.34Å; D99-K259 IonicContact OD2-NZ 3.92Å; D99-K259 PolarHBondContact OD2-NZ 3.16Å; S257-K259 PolarHBondContact O-N 2.96Å; S257-K259 PolarHBondContact OG-N 2.69Å; K259-V263 PolarHBondContact O-N 2.96Å
260T75.5Confident80.6Confident6 Ų655 Ų554%0.03727%0.274CS..Hα-helixtrans-83.1-14.7179.659.80000114.4L256 S257 V258 D262 V263 I266 W290L256-T260 HydrophobicContact CB-CG2 4.1Å; L256-T260 WeakPolarHBondContact CB-OG1 3.42Å; L256-T260 PolarHBondContact N-OG1 2.86Å; S257-T260 PolarHBondContact N-OG1 3.23Å; S257-T260 PolarHBondContact O-N 3.4Å; S257-T260 VanDerWaalsContact O-N 3.17Å; S257-T260 PolarHBondContact O-OG1 3.35Å; S257-T260 PolarHBondContact OG-N 2.75Å; V258-T260 VanDerWaalsContact C-N 3.33Å; V258-T260 PolarHBondContact O-N 2.69Å; T260-D262 VanDerWaalsContact C-N 3.31Å; T260-D262 PolarHBondContact O-N 3.31Å; T260-V263 VanDerWaalsContact CA-O 3.28Å; T260-V263 WeakPolarHBondContact CA-O 3.43Å; T260-V263 CarbonylContact O-C 3.53Å; T260-I266 HydrophobicContact CG2-CG2 3.94Å; T260-W290 HydrophobicContact CG2-CZ2 4.03Å
261K71.3Confident81.6Confident40 Ų4050.2 Ų50.217%0.17425%0.251CS..Hα-helixtrans-56.6-45.7-178.8178.9-172.9155.6-158.90111.5E116 S257 V258 K319E116-K261 PolarHBondContact O-NZ 3.3Å; E116-K261 IonicContact OE2-NZ 2.78Å; E116-K261 PolarHBondContact OE2-NZ 3.18Å; S257-K261 PolarHBondContact O-N 3.44Å; V258-K261 VanDerWaalsContact O-CB 3.28Å; V258-K261 WeakPolarHBondContact O-CB 3.21Å; V258-K261 PolarHBondContact O-N 3.12Å; K261-K319 WeakPolarHBondContact O-CE 3.45Å; K261-K319 PolarHBondContact O-NZ 3.25Å
262D67.9Low82.6Confident116 Ų11654.5 Ų54.562%0.6227%0.269SS*.Hα-helixtrans-103.4-26.8-180-63.9-37000112.8T260T260-D262 VanDerWaalsContact C-N 3.31Å; T260-D262 PolarHBondContact O-N 3.31Å
263V71.3Confident83.8Confident96 Ų9651.8 Ų51.858%0.58226%0.263SS*.  trans-112.890.9177.8-172.70000110K259 T260 E265K259-V263 PolarHBondContact O-N 2.96Å; T260-V263 VanDerWaalsContact CA-O 3.28Å; T260-V263 WeakPolarHBondContact CA-O 3.43Å; T260-V263 CarbonylContact O-C 3.53Å; V263-E265 VanDerWaalsContact C-N 3.32Å
264W79.1Confident84.8Confident12 Ų1255.5 Ų55.55%0.04528%0.282CS..  trans-75.9-23.6-174.8-161.6-86.1000113.8I266 K319 L329 Y330 A331 V332W264-I266 PolarHBondContact O-N 2.76Å; W264-K319 HydrophobicContact CD2-CD 4.47Å; W264-K319 HydrophobicContact CE3-CD 3.71Å; W264-K319 HydrophobicContact CE3-CG 4Å; W264-K319 HydrophobicContact CH2-CG 4.26Å; W264-K319 HydrophobicContact CZ3-CB 4.42Å; W264-K319 HydrophobicContact CZ3-CD 3.92Å; W264-K319 HydrophobicContact CZ3-CG 3.69Å; W264-L329 VanDerWaalsContact CH2-C 3.47Å; W264-L329 HydrophobicContact CH2-CB 4.06Å; W264-L329 HydrophobicContact CH2-CG 4.35Å; W264-L329 WeakPolarHBondContact CH2-O 3.47Å; W264-L329 HydrophobicContact CZ2-CB 3.46Å; W264-L329 VanDerWaalsContact CZ2-CB 3.46Å; W264-L329 HydrophobicContact CZ2-CD2 3.94Å; W264-L329 HydrophobicContact CZ2-CG 3.34Å; W264-L329 WeakPolarHBondContact CZ2-O 3.5Å; W264-Y330 VanDerWaalsContact CE2-O 3.29Å; W264-Y330 VanDerWaalsContact CZ2-CA 3.47Å; W264-Y330 VanDerWaalsContact CZ2-N 3.26Å; W264-Y330 WeakPolarHBondContact CZ2-O 3.4Å; W264-A331 PolarHBondContact NE1-O 3.2Å; W264-A331 WeakPolarHBondContact O-CA 3.37Å; W264-A331 WeakPolarHBondContact O-CB 3.39Å; W264-V332 PolarHBondContact O-N 3.39Å
265E89.1Confident85.9Confident94 Ų9459.9 Ų59.944%0.43930%0.297SS..BIsolated β-bridgetrans-73.8117.9176.8-68.2-177.8-113.100108.9V263 L312 V332 S334V263-E265 VanDerWaalsContact C-N 3.32Å; E265-L312 HydrophobicContact CG-CD2 4.18Å; E265-V332 WeakPolarHBondContact CA-O 3.23Å; E265-V332 HydrophobicContact CG-CG2 3.97Å; E265-S334 VanDerWaalsContact OE2-CB 3.28Å; E265-S334 WeakPolarHBondContact OE2-CB 3.39Å; E265-S334 PolarHBondContact OE2-OG 2.92Å
266I91.7Very high86.6Confident15 Ų1566.2 Ų66.28%0.07732%0.321CS..  trans-112.5150.6179.860.6171.4000110.2T260 W264 L271 A331 V332 V333 V341T260-I266 HydrophobicContact CG2-CG2 3.94Å; W264-I266 PolarHBondContact O-N 2.76Å; I266-L271 HydrophobicContact CD1-CD1 3.94Å; I266-L271 HydrophobicContact CD1-CD2 3.83Å; I266-L271 HydrophobicContact CD1-CG 3.88Å; I266-A331 HydrophobicContact CB-CB 4.44Å; I266-A331 HydrophobicContact CD1-CB 3.5Å; I266-A331 VanDerWaalsContact CD1-CB 3.5Å; I266-A331 HydrophobicContact CG1-CB 3.8Å; I266-A331 HydrophobicContact CG2-CB 3.83Å; I266-V332 PolarHBondContact N-O 2.94Å; I266-V333 HydrophobicContact CG1-CG2 4.21Å; I266-V341 HydrophobicContact CD1-CG2 4.13Å
267P93.2Very high87.2Confident83 Ų8369.8 Ų69.854%0.53934%0.34SS..  trans-64.4139.2173.226.2-33.1000110E269 S270P267-E269 WeakPolarHBondContact CB-OE2 3.38Å; P267-E269 PolarHBondContact O-N 3.41Å; P267-S270 WeakPolarHBondContact O-CB 3.47Å; P267-S270 PolarHBondContact O-N 2.9Å; P267-S270 PolarHBondContact O-OG 3.46Å
268R95.3Very high87.6Confident55 Ų5571.1 Ų71.121%0.20835%0.353CS..G310 helixtrans-58.6-33.5-178.6-171.7-177.7-57.3-75.81.1111.8S270 L271 V333 E335 E336 P337 Y339R268-S270 PolarHBondContact O-N 3.47Å; R268-L271 WeakPolarHBondContact O-CB 3.47Å; R268-L271 PolarHBondContact O-N 2.89Å; R268-V333 HydrophobicContact CB-CG1 4.25Å; R268-E335 PolarHBondContact NH2-O 3.5Å; R268-E336 PolarHBondContact NH2-O 3.08Å; R268-P337 PolarHBondContact NH1-O 3.13Å; R268-P337 PolarHBondContact NH2-O 3.2Å; R268-Y339 HydrophobicContact CG-CD2 4.48Å; R268-Y339 HydrophobicContact CG-CE2 4.06Å; R268-Y339 VanDerWaalsContact NH1-CD1 3.31Å
269E95.3Very high88Confident162 Ų16275.4 Ų75.476%0.75738%0.376SS*.G310 helixtrans-65-20.7-179.2-58.269.2-147.300112.4P267 L271P267-E269 WeakPolarHBondContact CB-OE2 3.38Å; P267-E269 PolarHBondContact O-N 3.41Å; E269-L271 PolarHBondContact O-N 3.09Å
270S94.3Very high88.1Confident15 Ų1571.1 Ų71.111%0.10537%0.369CS..G310 helixtrans-71.5-11.9172.869.80000113.1P267 R268 W290 N291P267-S270 WeakPolarHBondContact O-CB 3.47Å; P267-S270 PolarHBondContact O-N 2.9Å; P267-S270 PolarHBondContact O-OG 3.46Å; R268-S270 PolarHBondContact O-N 3.47Å; S270-W290 CarbonylContact O-C 3.55Å; S270-W290 WeakPolarHBondContact O-CA 3.48Å; S270-N291 WeakPolarHBondContact CB-OD1 3.37Å; S270-N291 PolarHBondContact O-N 3.23Å
271L96.9Very high88Confident18 Ų1875.8 Ų75.89%0.09439%0.39CS..EExtended strand (participates in β ladder)trans-108.9131-177.6-62.6171.4000111.4I266 R268 E269 T289 W290 V296 I298 V333 Y339 V341I266-L271 HydrophobicContact CD1-CD1 3.94Å; I266-L271 HydrophobicContact CD1-CD2 3.83Å; I266-L271 HydrophobicContact CD1-CG 3.88Å; R268-L271 WeakPolarHBondContact O-CB 3.47Å; R268-L271 PolarHBondContact O-N 2.89Å; E269-L271 PolarHBondContact O-N 3.09Å; L271-T289 WeakPolarHBondContact CA-O 3.28Å; L271-W290 HydrophobicContact CD2-CB 4.04Å; L271-W290 HydrophobicContact CD2-CG 4.46Å; L271-V296 HydrophobicContact CD2-CG2 4.39Å; L271-I298 HydrophobicContact CB-CD1 4.1Å; L271-I298 HydrophobicContact CD1-CD1 4.49Å; L271-I298 HydrophobicContact CD2-CD1 3.99Å; L271-I298 HydrophobicContact CD2-CG1 4.37Å; L271-I298 HydrophobicContact CG-CD1 4.43Å; L271-V333 HydrophobicContact CD1-CG2 3.89Å; L271-Y339 HydrophobicContact CD1-CD2 3.84Å; L271-V341 HydrophobicContact CD1-CG2 3.66Å; L271-V341 HydrophobicContact CD2-CG1 4.32Å; L271-V341 HydrophobicContact CD2-CG2 3.98Å; L271-V341 HydrophobicContact CG-CG2 4.47Å
272Q97.2Very high88.3Confident119 Ų11975.6 Ų75.656%0.55639%0.39SS*.EExtended strand (participates in β ladder)trans-112.6117.9169.8-170.4178.817.800109.9I274 G288 T289Q272-I274 HydrophobicContact CG-CG1 4.18Å; Q272-G288 CarbonylContact O-C 3.54Å; Q272-G288 WeakPolarHBondContact O-CA 3.32Å; Q272-T289 PolarHBondContact N-O 3.17Å; Q272-T289 PolarHBondContact O-N 3.38Å
273L97Very high89.2Confident57 Ų5770.3 Ų70.330%0.29836%0.363SS..EExtended strand (participates in β ladder)trans-78.7120.1172-53177.3000109.1W286 I298 T300 Y339L273-W286 HydrophobicContact CB-CB 4.39Å; L273-W286 HydrophobicContact CB-CD2 4.04Å; L273-W286 HydrophobicContact CB-CE3 3.84Å; L273-W286 HydrophobicContact CB-CG 4.29Å; L273-W286 HydrophobicContact CB-CZ3 4.46Å; L273-W286 HydrophobicContact CD1-CD2 4.31Å; L273-W286 HydrophobicContact CD1-CG 4.37Å; L273-W286 HydrophobicContact CD2-CB 3.8Å; L273-W286 HydrophobicContact CD2-CG 4Å; L273-W286 HydrophobicContact CG-CG 4.45Å; L273-I298 HydrophobicContact CD2-CB 3.82Å; L273-I298 HydrophobicContact CD2-CD1 3.57Å; L273-I298 HydrophobicContact CD2-CG1 4.3Å; L273-I298 HydrophobicContact CD2-CG2 3.71Å; L273-T300 HydrophobicContact CD1-CG2 4.38Å; L273-Y339 HydrophobicContact CD1-CE2 4.4Å; L273-Y339 HydrophobicContact CD2-CE2 4.36Å
274I97Very high90.3Very high85 Ų8568.1 Ų68.144%0.43635%0.346SS..EExtended strand (participates in β ladder)trans-110.6-52.3-172-62.5169.8000111.6Q272 M287 T289Q272-I274 HydrophobicContact CG-CG1 4.18Å; I274-M287 WeakPolarHBondContact CA-O 3.42Å; I274-M287 HydrophobicContact CB-CE 3.45Å; I274-M287 VanDerWaalsContact CB-CE 3.45Å; I274-M287 WeakPolarHBondContact CB-O 3.41Å; I274-M287 HydrophobicContact CD1-CE 4.21Å; I274-M287 HydrophobicContact CG1-CE 4.42Å; I274-M287 HydrophobicContact CG2-CE 3.34Å; I274-M287 PolarHBondContact N-O 2.97Å; I274-T289 HydrophobicContact CD1-CG2 3.71Å
275K96.5Very high91Very high130 Ų13069.8 Ų69.857%0.56536%0.358SS*.EExtended strand (participates in β ladder)trans-136121-176.5-179.3-175.4176.3-176.10110.6L277 W286 M287K275-L277 PolarHBondContact O-N 3.4Å; K275-W286 CarbonylContact O-C 3.56Å; K275-W286 WeakPolarHBondContact O-CA 3.4Å; K275-M287 HydrophobicContact CB-CB 4.41Å; K275-M287 HydrophobicContact CB-CE 3.83Å; K275-M287 PolarHBondContact N-O 3.44Å; K275-M287 PolarHBondContact O-N 2.7Å
276R96Very high91.4Very high136 Ų13667.9 Ų67.951%0.51335%0.347SS..EExtended strand (participates in β ladder)trans-64.7124.6171.3-166173.265.7-177.5-1.2110.1E284 W286R276-E284 WeakPolarHBondContact CD-OE1 3.24Å; R276-E284 IonicContact CZ-OE1 2.7Å; R276-E284 IonicContact NE-OE1 2.76Å; R276-E284 IonicContact NH1-OE1 3.33Å; R276-E284 PolarHBondContact NH1-OE1 2.88Å; R276-W286 HydrophobicContact CB-CD2 4.05Å; R276-W286 HydrophobicContact CB-CE3 3.92Å; R276-W286 HydrophobicContact CB-CH2 3.99Å; R276-W286 HydrophobicContact CB-CZ2 4.1Å; R276-W286 HydrophobicContact CB-CZ3 3.9Å; R276-W286 HydrophobicContact CG-CD2 4.33Å; R276-W286 HydrophobicContact CG-CZ2 4.19Å; R276-W286 VanDerWaalsContact N-CE3 3.33Å
277L92.6Very high91.7Very high75 Ų7568.6 Ų68.639%0.39335%0.35SS..EExtended strand (participates in β ladder)trans-95.6-37.6179.5-61.3176000111.7K275 V285 M287 Y344K275-L277 PolarHBondContact O-N 3.4Å; L277-V285 WeakPolarHBondContact CA-O 3.36Å; L277-V285 HydrophobicContact CB-CG1 4.4Å; L277-V285 WeakPolarHBondContact CB-O 3.41Å; L277-V285 HydrophobicContact CD1-CG1 4.22Å; L277-V285 PolarHBondContact N-O 2.97Å; L277-M287 HydrophobicContact CD1-CB 3.95Å; L277-M287 HydrophobicContact CD2-CB 3.93Å; L277-M287 HydrophobicContact CG-CB 3.99Å; L277-Y344 HydrophobicContact CD1-CD2 4.01Å; L277-Y344 HydrophobicContact CD1-CE2 3.65Å; L277-Y344 HydrophobicContact CD2-CE2 4.11Å
278G87.5Confident91.9Very high29 Ų2964.6 Ų64.630%0.29932%0.324SS..EExtended strand (participates in β ladder)trans-158.4157.9-178.100000111.8V285G278-V285 PolarHBondContact N-O 3.46Å; G278-V285 VanDerWaalsContact N-O 3.17Å; G278-V285 PolarHBondContact O-N 3.23Å
279N86.5Confident91.9Very high108 Ų10862.8 Ų62.858%0.57832%0.319SS*.EExtended strand (participates in β ladder)trans-125.3112.6172.1-176.721.8000107.4
280G78.2Confident91.9Very high42 Ų4255.5 Ų55.543%0.43329%0.285SS..EExtended strand (participates in β ladder)trans-102.2175.5177.400000111.4F282 G283G280-F282 VanDerWaalsContact C-N 3.28Å; G280-F282 PolarHBondContact O-N 3.45Å; G280-G283 CarbonylContact C-O 3.47Å; G280-G283 WeakPolarHBondContact CA-O 3.39Å; G280-G283 PolarHBondContact N-O 2.8Å; G280-G283 PolarHBondContact O-N 2.91Å; G280-G283 VanDerWaalsContact O-O 3.09Å
281Q74.1Confident91.7Very high104 Ų10458.4 Ų58.449%0.48630%0.299SS..THydrogen-bonded Turntrans-62-39.4-179.6-172.560.124.500112.2K302 K427Q281-K302 PolarHBondContact O-NZ 2.9Å; Q281-K427 HydrophobicContact CG-CD 4.31Å
282F78.2Confident91.4Very high36 Ų3660.3 Ų60.316%0.15832%0.323CS..THydrogen-bonded Turntrans-93.1-2.7-173-58.5-65.4000114.4G280 L301 K302 T305 I415 Y420G280-F282 VanDerWaalsContact C-N 3.28Å; G280-F282 PolarHBondContact O-N 3.45Å; F282-L301 WeakPolarHBondContact O-CA 3.3Å; F282-K302 PolarHBondContact O-N 3.48Å; F282-T305 HydrophobicContact CB-CG2 4.04Å; F282-T305 HydrophobicContact CD1-CG2 3.84Å; F282-T305 HydrophobicContact CG-CG2 4.25Å; F282-I415 HydrophobicContact CD1-CD1 4.2Å; F282-I415 HydrophobicContact CD1-CG1 4.43Å; F282-I415 HydrophobicContact CD1-CG2 4.15Å; F282-I415 HydrophobicContact CD2-CD1 3.86Å; F282-I415 HydrophobicContact CE1-CD1 3.99Å; F282-I415 HydrophobicContact CE1-CG1 4.39Å; F282-I415 HydrophobicContact CE1-CG2 3.57Å; F282-I415 HydrophobicContact CE2-CD1 3.61Å; F282-I415 HydrophobicContact CG-CD1 4.17Å; F282-I415 HydrophobicContact CZ-CD1 3.72Å; F282-I415 HydrophobicContact CZ-CG2 4.07Å; F282-Y420 HydrophobicContact CE1-CD2 4.36Å; F282-Y420 HydrophobicContact CE1-CE2 4.44Å; F282-Y420 HydrophobicContact CE2-CD2 4.12Å; F282-Y420 AromaticContact CE2-CE2 3.43Å; F282-Y420 HydrophobicContact CE2-CE2 3.43Å; F282-Y420 VanDerWaalsContact CE2-CE2 3.43Å; F282-Y420 AromaticContact CE2-CZ 3.69Å; F282-Y420 AromaticContact CZ-CD2 3.42Å; F282-Y420 HydrophobicContact CZ-CD2 3.42Å; F282-Y420 VanDerWaalsContact CZ-CD2 3.42Å; F282-Y420 AromaticContact CZ-CE2 3.19Å; F282-Y420 HydrophobicContact CZ-CE2 3.19Å; F282-Y420 HydrophobicContact CZ-CG 4.27Å; F282-Y420 AromaticContact CZ-CZ 3.87Å
283G86.1Confident90.8Very high6 Ų657.8 Ų57.86%0.06231%0.313CS..EExtended strand (participates in β ladder)trans160.9176.6-163.900000114.4G280 T300G280-G283 CarbonylContact C-O 3.47Å; G280-G283 WeakPolarHBondContact CA-O 3.39Å; G280-G283 PolarHBondContact N-O 2.8Å; G280-G283 PolarHBondContact O-N 2.91Å; G280-G283 VanDerWaalsContact O-O 3.09Å; G283-T300 CarbonylContact C-O 3.57Å; G283-T300 WeakPolarHBondContact CA-O 3.35Å
284E93.5Very high90.5Very high49 Ų4955.5 Ų55.523%0.22930%0.302CS..EExtended strand (participates in β ladder)trans-111.9155.3176.9-62.4-177.8131.300110.2R276 W286 K299 T300R276-E284 WeakPolarHBondContact CD-OE1 3.24Å; R276-E284 IonicContact CZ-OE1 2.7Å; R276-E284 IonicContact NE-OE1 2.76Å; R276-E284 IonicContact NH1-OE1 3.33Å; R276-E284 PolarHBondContact NH1-OE1 2.88Å; E284-W286 VanDerWaalsContact CB-NE1 3.31Å; E284-W286 VanDerWaalsContact OE2-CZ2 3.28Å; E284-W286 WeakPolarHBondContact OE2-CZ2 3.35Å; E284-W286 PolarHBondContact OE2-NE1 2.8Å; E284-W286 VanDerWaalsContact OE2-NE1 3.08Å; E284-K299 CarbonylContact O-C 3.55Å; E284-K299 WeakPolarHBondContact O-CA 3.34Å; E284-T300 PolarHBondContact N-O 2.83Å; E284-T300 VanDerWaalsContact N-O 3.07Å; E284-T300 PolarHBondContact N-OG1 3.12Å; E284-T300 PolarHBondContact O-N 2.81Å; E284-T300 PolarHBondContact O-OG1 2.8Å
285V95.3Very high90.3Very high47 Ų4757.4 Ų57.429%0.28531%0.307SS..EExtended strand (participates in β ladder)trans-115.5129.2171.9-174.60000108L277 G278 K299L277-V285 WeakPolarHBondContact CA-O 3.36Å; L277-V285 HydrophobicContact CB-CG1 4.4Å; L277-V285 WeakPolarHBondContact CB-O 3.41Å; L277-V285 HydrophobicContact CD1-CG1 4.22Å; L277-V285 PolarHBondContact N-O 2.97Å; G278-V285 PolarHBondContact N-O 3.46Å; G278-V285 VanDerWaalsContact N-O 3.17Å; G278-V285 PolarHBondContact O-N 3.23Å; V285-K299 HydrophobicContact CG2-CB 4.24Å; V285-K299 HydrophobicContact CG2-CD 4.38Å; V285-K299 HydrophobicContact CG2-CG 4.1Å
286W97.5Very high90.3Very high55 Ų5551.2 Ų51.221%0.20828%0.28CS..EExtended strand (participates in β ladder)trans-121.5142.5-176.9-65.779000110.2L273 K275 R276 E284 A297 I298L273-W286 HydrophobicContact CB-CB 4.39Å; L273-W286 HydrophobicContact CB-CD2 4.04Å; L273-W286 HydrophobicContact CB-CE3 3.84Å; L273-W286 HydrophobicContact CB-CG 4.29Å; L273-W286 HydrophobicContact CB-CZ3 4.46Å; L273-W286 HydrophobicContact CD1-CD2 4.31Å; L273-W286 HydrophobicContact CD1-CG 4.37Å; L273-W286 HydrophobicContact CD2-CB 3.8Å; L273-W286 HydrophobicContact CD2-CG 4Å; L273-W286 HydrophobicContact CG-CG 4.45Å; K275-W286 CarbonylContact O-C 3.56Å; K275-W286 WeakPolarHBondContact O-CA 3.4Å; R276-W286 HydrophobicContact CB-CD2 4.05Å; R276-W286 HydrophobicContact CB-CE3 3.92Å; R276-W286 HydrophobicContact CB-CH2 3.99Å; R276-W286 HydrophobicContact CB-CZ2 4.1Å; R276-W286 HydrophobicContact CB-CZ3 3.9Å; R276-W286 HydrophobicContact CG-CD2 4.33Å; R276-W286 HydrophobicContact CG-CZ2 4.19Å; R276-W286 VanDerWaalsContact N-CE3 3.33Å; E284-W286 VanDerWaalsContact CB-NE1 3.31Å; E284-W286 VanDerWaalsContact OE2-CZ2 3.28Å; E284-W286 WeakPolarHBondContact OE2-CZ2 3.35Å; E284-W286 PolarHBondContact OE2-NE1 2.8Å; E284-W286 VanDerWaalsContact OE2-NE1 3.08Å; W286-A297 CarbonylContact O-C 3.53Å; W286-A297 WeakPolarHBondContact O-CA 3.2Å; W286-I298 PolarHBondContact N-O 3.08Å; W286-I298 PolarHBondContact O-N 3.4Å
287M97Very high90.3Very high29 Ų2945.1 Ų45.114%0.14326%0.259CS..EExtended strand (participates in β ladder)trans-82.8131.5156.7178.3-142.870.600106.9I274 K275 L277 K295 Y344I274-M287 WeakPolarHBondContact CA-O 3.42Å; I274-M287 HydrophobicContact CB-CE 3.45Å; I274-M287 VanDerWaalsContact CB-CE 3.45Å; I274-M287 WeakPolarHBondContact CB-O 3.41Å; I274-M287 HydrophobicContact CD1-CE 4.21Å; I274-M287 HydrophobicContact CG1-CE 4.42Å; I274-M287 HydrophobicContact CG2-CE 3.34Å; I274-M287 PolarHBondContact N-O 2.97Å; K275-M287 HydrophobicContact CB-CB 4.41Å; K275-M287 HydrophobicContact CB-CE 3.83Å; K275-M287 PolarHBondContact N-O 3.44Å; K275-M287 PolarHBondContact O-N 2.7Å; L277-M287 HydrophobicContact CD1-CB 3.95Å; L277-M287 HydrophobicContact CD2-CB 3.93Å; L277-M287 HydrophobicContact CG-CB 3.99Å; M287-K295 HydrophobicContact CG-CG 4.41Å; M287-Y344 HydrophobicContact CB-CD2 4.25Å; M287-Y344 HydrophobicContact CB-CE2 4.02Å; M287-Y344 HydrophobicContact CG-CD2 4.06Å; M287-Y344 HydrophobicContact CG-CE2 3.96Å; M287-Y344 HydrophobicContact CG-CG 4.46Å
288G96.9Very high90.5Very high0 Ų041.6 Ų41.60%024%0.24CC..EExtended strand (participates in β ladder)trans-147-170.2179.400000112.7Q272 V296Q272-G288 CarbonylContact O-C 3.54Å; Q272-G288 WeakPolarHBondContact O-CA 3.32Å; G288-V296 PolarHBondContact N-O 2.8Å; G288-V296 PolarHBondContact O-N 2.9Å
289T96.5Very high90.8Very high17 Ų1741.9 Ų41.910%0.10423%0.233CC..EExtended strand (participates in β ladder)trans-126.8140.2173.648.60000110.3L271 Q272 I274 T294L271-T289 WeakPolarHBondContact CA-O 3.28Å; Q272-T289 PolarHBondContact N-O 3.17Å; Q272-T289 PolarHBondContact O-N 3.38Å; I274-T289 HydrophobicContact CD1-CG2 3.71Å; T289-T294 CarbonylContact C-O 3.49Å; T289-T294 VanDerWaalsContact CA-O 3.25Å; T289-T294 WeakPolarHBondContact CA-O 3.25Å
290W94.1Very high91.2Very high9 Ų937.4 Ų37.43%0.03421%0.21CC..EExtended strand (participates in β ladder)trans-95.7132.3163.9175.370.7000109.2R96 T97 L256 T260 S270 L271 G292 N293 T294 V296R96-W290 HydrophobicContact CB-CZ3 3.75Å; T97-W290 HydrophobicContact CG2-CH2 3.58Å; T97-W290 HydrophobicContact CG2-CZ2 4.34Å; T97-W290 HydrophobicContact CG2-CZ3 4.32Å; L256-W290 HydrophobicContact CB-CD2 4.16Å; L256-W290 HydrophobicContact CB-CE3 3.82Å; L256-W290 HydrophobicContact CB-CH2 3.71Å; L256-W290 HydrophobicContact CB-CZ2 4.05Å; L256-W290 HydrophobicContact CB-CZ3 3.58Å; L256-W290 HydrophobicContact CD1-CD2 3.8Å; L256-W290 HydrophobicContact CD1-CE3 4.22Å; L256-W290 HydrophobicContact CD1-CG 3.96Å; L256-W290 HydrophobicContact CD1-CZ2 4.46Å; L256-W290 HydrophobicContact CD2-CD2 4.13Å; L256-W290 HydrophobicContact CD2-CE3 3.81Å; L256-W290 HydrophobicContact CD2-CG 4.46Å; L256-W290 HydrophobicContact CD2-CZ3 4.36Å; L256-W290 HydrophobicContact CG-CD2 4.25Å; L256-W290 HydrophobicContact CG-CE3 4.15Å; L256-W290 HydrophobicContact CG-CZ3 4.41Å; T260-W290 HydrophobicContact CG2-CZ2 4.03Å; S270-W290 CarbonylContact O-C 3.55Å; S270-W290 WeakPolarHBondContact O-CA 3.48Å; L271-W290 HydrophobicContact CD2-CB 4.04Å; L271-W290 HydrophobicContact CD2-CG 4.46Å; W290-G292 PolarHBondContact O-N 3.43Å; W290-G292 VanDerWaalsContact O-N 3.07Å; W290-N293 PolarHBondContact O-N 2.89Å; W290-T294 HydrophobicContact CE3-CG2 4.28Å; W290-T294 PolarHBondContact N-O 3.37Å; W290-T294 PolarHBondContact O-N 3.33Å; W290-V296 HydrophobicContact CB-CG1 4.27Å; W290-V296 HydrophobicContact CB-CG2 4.42Å
291N91.4Very high91.8Very high76 Ų7635.8 Ų35.841%0.40619%0.191SC..THydrogen-bonded Turntrans49.232.5-176.1-72.7-8.1000114.2S270 N293S270-N291 WeakPolarHBondContact CB-OD1 3.37Å; S270-N291 PolarHBondContact O-N 3.23Å; N291-N293 PolarHBondContact O-N 3.12Å
292G89.9Confident92.5Very high57 Ų5735.7 Ų35.759%0.58819%0.189SC*.THydrogen-bonded Turntrans76.3-21.5176.300000116.4W290W290-G292 PolarHBondContact O-N 3.43Å; W290-G292 VanDerWaalsContact O-N 3.07Å
293N85.6Confident93Very high66 Ų6638.3 Ų38.335%0.35321%0.209SC..THydrogen-bonded Turntrans-115.2-28-175.265.413.1000114.6A95 W290 N291 K295A95-N293 PolarHBondContact O-ND2 3.46Å; W290-N293 PolarHBondContact O-N 2.89Å; N291-N293 PolarHBondContact O-N 3.12Å; N293-K295 PolarHBondContact O-N 3.25Å
294T90.2Very high93Very high10 Ų1040.6 Ų40.66%0.06123%0.234CC..EExtended strand (participates in β ladder)trans-93108.5-171.1-59.60000110.5R96 L256 T289 W290 V296R96-T294 VanDerWaalsContact CD-OG1 3.24Å; R96-T294 WeakPolarHBondContact CD-OG1 3.27Å; R96-T294 WeakPolarHBondContact CG-OG1 3.43Å; L256-T294 HydrophobicContact CD2-CG2 3.86Å; T289-T294 CarbonylContact C-O 3.49Å; T289-T294 VanDerWaalsContact CA-O 3.25Å; T289-T294 WeakPolarHBondContact CA-O 3.25Å; W290-T294 HydrophobicContact CE3-CG2 4.28Å; W290-T294 PolarHBondContact N-O 3.37Å; W290-T294 PolarHBondContact O-N 3.33Å; T294-V296 HydrophobicContact CG2-CG1 4.29Å; T294-V296 PolarHBondContact O-N 2.86Å
295K93.5Very high92.4Very high125 Ų12539 Ų3954%0.54323%0.227SC..EExtended strand (participates in β ladder)trans-67.4127.1179.4-171.7176.4-67172.30111.6M287 N293 Y344M287-K295 HydrophobicContact CG-CG 4.41Å; N293-K295 PolarHBondContact O-N 3.25Å; K295-Y344 HydrophobicContact CD-CD1 3.62Å; K295-Y344 HydrophobicContact CD-CE1 4.08Å; K295-Y344 HydrophobicContact CD-CG 4.31Å; K295-Y344 HydrophobicContact CG-CD1 4.09Å; K295-Y344 HydrophobicContact CG-CG 4.29Å
296V95.5Very high91.9Very high0 Ų037 Ų370%022%0.215CC..EExtended strand (participates in β ladder)trans-137.8161-176.8-66.80000111.8L256 L271 G288 W290 T294 I298 Y330 V341L256-V296 HydrophobicContact CD2-CG1 4.15Å; L271-V296 HydrophobicContact CD2-CG2 4.39Å; G288-V296 PolarHBondContact N-O 2.8Å; G288-V296 PolarHBondContact O-N 2.9Å; W290-V296 HydrophobicContact CB-CG1 4.27Å; W290-V296 HydrophobicContact CB-CG2 4.42Å; T294-V296 HydrophobicContact CG2-CG1 4.29Å; T294-V296 PolarHBondContact O-N 2.86Å; V296-I298 HydrophobicContact CG2-CD1 3.94Å; V296-I298 HydrophobicContact CG2-CG1 3.83Å; V296-Y330 HydrophobicContact CG1-CD2 4.08Å; V296-Y330 HydrophobicContact CG1-CE2 4.5Å; V296-V341 HydrophobicContact CB-CG1 3.71Å; V296-V341 HydrophobicContact CG1-CG1 3.84Å; V296-V341 HydrophobicContact CG2-CG1 3.92Å
297A96.4Very high91.3Very high8 Ų835.8 Ų35.87%0.06621%0.214CC..EExtended strand (participates in β ladder)trans-98.6135.6162.600000109.2W286 V341 T342 Y344W286-A297 CarbonylContact O-C 3.53Å; W286-A297 WeakPolarHBondContact O-CA 3.2Å; A297-V341 WeakPolarHBondContact O-CA 3.22Å; A297-T342 PolarHBondContact N-O 3.06Å; A297-T342 PolarHBondContact O-N 3.3Å; A297-Y344 HydrophobicContact CB-CD2 4.44Å
298I96.5Very high90.9Very high0 Ų036.2 Ų36.20%022%0.219CC..EExtended strand (participates in β ladder)trans-125.3109.4-176.3-56.2159.7000107.5L271 L273 W286 V296 T300 Y339 I340 V341L271-I298 HydrophobicContact CB-CD1 4.1Å; L271-I298 HydrophobicContact CD1-CD1 4.49Å; L271-I298 HydrophobicContact CD2-CD1 3.99Å; L271-I298 HydrophobicContact CD2-CG1 4.37Å; L271-I298 HydrophobicContact CG-CD1 4.43Å; L273-I298 HydrophobicContact CD2-CB 3.82Å; L273-I298 HydrophobicContact CD2-CD1 3.57Å; L273-I298 HydrophobicContact CD2-CG1 4.3Å; L273-I298 HydrophobicContact CD2-CG2 3.71Å; W286-I298 PolarHBondContact N-O 3.08Å; W286-I298 PolarHBondContact O-N 3.4Å; V296-I298 HydrophobicContact CG2-CD1 3.94Å; V296-I298 HydrophobicContact CG2-CG1 3.83Å; I298-T300 HydrophobicContact CG2-CG2 4.33Å; I298-Y339 HydrophobicContact CG2-CD2 3.71Å; I298-Y339 HydrophobicContact CG2-CE2 4.36Å; I298-Y339 HydrophobicContact CG2-CG 3.93Å; I298-I340 WeakPolarHBondContact CA-O 3.45Å; I298-V341 HydrophobicContact CG1-CG2 4.46Å
299K94.6Very high90.5Very high35 Ų3542.4 Ų42.415%0.15225%0.248CC..EExtended strand (participates in β ladder)trans-92116.5172.6179172.3-179.2176.30108.5E284 V285 L301 Y339 I340 D408 L411E284-K299 CarbonylContact O-C 3.55Å; E284-K299 WeakPolarHBondContact O-CA 3.34Å; V285-K299 HydrophobicContact CG2-CB 4.24Å; V285-K299 HydrophobicContact CG2-CD 4.38Å; V285-K299 HydrophobicContact CG2-CG 4.1Å; K299-L301 HydrophobicContact CG-CD2 4.35Å; K299-Y339 CarbonylContact O-C 3.57Å; K299-Y339 WeakPolarHBondContact O-CA 3.49Å; K299-I340 HydrophobicContact CB-CB 4.22Å; K299-I340 PolarHBondContact N-O 2.98Å; K299-I340 PolarHBondContact O-N 3.1Å; K299-D408 IonicContact NZ-OD1 2.9Å; K299-D408 PolarHBondContact NZ-OD1 2.87Å; K299-D408 IonicContact NZ-OD2 3.82Å; K299-D408 PolarHBondContact NZ-OD2 3.38Å; K299-L411 HydrophobicContact CD-CD1 4.34Å
300T94Very high89.9Confident15 Ų1543.6 Ų43.69%0.09226%0.258CS..EExtended strand (participates in β ladder)trans-93.9131.2177.566.90000108.2L273 G283 E284 I298 Y339L273-T300 HydrophobicContact CD1-CG2 4.38Å; G283-T300 CarbonylContact C-O 3.57Å; G283-T300 WeakPolarHBondContact CA-O 3.35Å; E284-T300 PolarHBondContact N-O 2.83Å; E284-T300 VanDerWaalsContact N-O 3.07Å; E284-T300 PolarHBondContact N-OG1 3.12Å; E284-T300 PolarHBondContact O-N 2.81Å; E284-T300 PolarHBondContact O-OG1 2.8Å; I298-T300 HydrophobicContact CG2-CG2 4.33Å; T300-Y339 HydrophobicContact CG2-CD1 3.63Å; T300-Y339 HydrophobicContact CG2-CE1 3.33Å; T300-Y339 HydrophobicContact CG2-CE2 4.35Å; T300-Y339 HydrophobicContact CG2-CG 4.28Å
301L90.7Very high89.6Confident8 Ų843.3 Ų43.34%0.04226%0.257CS..EExtended strand (participates in β ladder)trans-98.4143.3174.5-58.7-177.7000110.2F282 K299 M306 P337 I338 I340F282-L301 WeakPolarHBondContact O-CA 3.3Å; K299-L301 HydrophobicContact CG-CD2 4.35Å; L301-M306 HydrophobicContact CD1-CE 3.84Å; L301-M306 HydrophobicContact CD1-CG 4.26Å; L301-M306 HydrophobicContact CD1-SD 3.77Å; L301-P337 WeakPolarHBondContact O-CB 3.32Å; L301-I338 HydrophobicContact CB-CB 4.27Å; L301-I338 HydrophobicContact CD1-CB 4.17Å; L301-I338 HydrophobicContact CD1-CG2 3.95Å; L301-I338 HydrophobicContact CG-CB 4.45Å; L301-I338 HydrophobicContact CG-CG2 4.44Å; L301-I338 PolarHBondContact N-O 2.76Å; L301-I340 HydrophobicContact CD1-CD1 4.36Å
302K88.5Confident89.4Confident101 Ų10141.9 Ų41.944%0.43925%0.248SC..PPolyproline II helixtrans-66.5139.9171.9-68.1174.4-177.2167.20109.2Q281 F282 G304 T305Q281-K302 PolarHBondContact O-NZ 2.9Å; F282-K302 PolarHBondContact O-N 3.48Å; K302-G304 PolarHBondContact O-N 2.59Å; K302-T305 VanDerWaalsContact O-CB 3.29Å; K302-T305 WeakPolarHBondContact O-CB 3.45Å; K302-T305 PolarHBondContact O-N 3.42Å; K302-T305 VanDerWaalsContact O-N 3.16Å; K302-T305 PolarHBondContact O-OG1 2.89Å
303P89.6Confident89.2Confident91 Ų9146.1 Ų46.159%0.59125%0.253SS*.THydrogen-bonded Turntrans-52.2139.9173.6-2735.5000112T305 E336P303-T305 VanDerWaalsContact C-N 3.3Å; P303-T305 PolarHBondContact O-N 2.83Å; P303-E336 WeakPolarHBondContact CA-OE1 3.4Å
304G85.4Confident89Confident55 Ų5543.4 Ų43.457%0.56724%0.238SC*.THydrogen-bonded Turntrans76.68.4-177.500000115.3K302 M306 E336K302-G304 PolarHBondContact O-N 2.59Å; G304-M306 VanDerWaalsContact C-N 3.35Å; G304-E336 PolarHBondContact N-OE1 3.13Å
305T82.3Confident88.8Confident15 Ų1543.3 Ų43.39%0.09224%0.238CC..SBendtrans-67.7-38.4172.8-61.80000111.5F282 K302 P303 I415 E416F282-T305 HydrophobicContact CB-CG2 4.04Å; F282-T305 HydrophobicContact CD1-CG2 3.84Å; F282-T305 HydrophobicContact CG-CG2 4.25Å; K302-T305 VanDerWaalsContact O-CB 3.29Å; K302-T305 WeakPolarHBondContact O-CB 3.45Å; K302-T305 PolarHBondContact O-N 3.42Å; K302-T305 VanDerWaalsContact O-N 3.16Å; K302-T305 PolarHBondContact O-OG1 2.89Å; P303-T305 VanDerWaalsContact C-N 3.3Å; P303-T305 PolarHBondContact O-N 2.83Å; T305-I415 HydrophobicContact CG2-CG1 4.46Å; T305-E416 PolarHBondContact O-N 2.67Å; T305-E416 VanDerWaalsContact O-N 3.09Å
306M83.3Confident88.3Confident5 Ų541.8 Ų41.83%0.02523%0.233CC..SBendtrans-161.9149.1178.860.5-172.263.500109.5L301 G304 F311 I338 L414 I415L301-M306 HydrophobicContact CD1-CE 3.84Å; L301-M306 HydrophobicContact CD1-CG 4.26Å; L301-M306 HydrophobicContact CD1-SD 3.77Å; G304-M306 VanDerWaalsContact C-N 3.35Å; M306-F311 HydrophobicContact CG-CB 4.17Å; M306-F311 HydrophobicContact SD-CB 3.84Å; M306-F311 HydrophobicContact SD-CD2 3.71Å; M306-F311 HydrophobicContact SD-CG 4.17Å; M306-I338 HydrophobicContact CG-CD1 4.05Å; M306-L414 HydrophobicContact CB-CB 4.14Å; M306-L414 WeakPolarHBondContact CB-O 3.43Å; M306-L414 HydrophobicContact CE-CB 3.54Å; M306-L414 HydrophobicContact CE-CD1 4.1Å; M306-L414 HydrophobicContact SD-CB 3.74Å; M306-L414 HydrophobicContact SD-CD1 3.56Å; M306-L414 VanDerWaalsContact SD-CD1 3.56Å; M306-L414 HydrophobicContact SD-CG 4.37Å; M306-I415 HydrophobicContact CE-CG1 4.5Å
307S86.1Confident87.7Confident29 Ų2945 Ų4520%0.20325%0.25CC..  trans-62.3138.8172.138.60000112.3E309 S310 F311 E416S307-E309 PolarHBondContact O-N 3.47Å; S307-S310 PolarHBondContact O-N 3.11Å; S307-S310 VanDerWaalsContact OG-CB 3.3Å; S307-S310 WeakPolarHBondContact OG-CB 3.34Å; S307-S310 PolarHBondContact OG-OG 3.38Å; S307-F311 WeakPolarHBondContact O-CB 3.37Å; S307-F311 PolarHBondContact O-N 3.17Å; S307-E416 WeakPolarHBondContact CB-OE1 3.39Å; S307-E416 PolarHBondContact N-OE1 3.36Å; S307-E416 PolarHBondContact OG-OE1 3.3Å
308P88Confident87.1Confident38 Ų3845.1 Ų45.125%0.24725%0.249CC..Hα-helixtrans-53.7-36.9175.1-2936.9000113.7F311 L312 E336P308-F311 PolarHBondContact O-N 2.84Å; P308-L312 WeakPolarHBondContact O-CB 3.19Å; P308-L312 WeakPolarHBondContact O-CG 3.37Å; P308-L312 PolarHBondContact O-N 2.92Å; P308-E336 HydrophobicContact CG-CG 4.32Å
309E87.9Confident86.3Confident130 Ų13047 Ų4761%0.60726%0.257SS*.Hα-helixtrans-64.3-50.9178.3-62.774.7-163.700111.2S307 F311 L312 E313S307-E309 PolarHBondContact O-N 3.47Å; E309-F311 VanDerWaalsContact C-N 3.27Å; E309-F311 PolarHBondContact O-N 3.06Å; E309-L312 PolarHBondContact O-N 3.39Å; E309-E313 PolarHBondContact O-N 3.44Å
310S85.2Confident85.8Confident43 Ų4352.4 Ų52.430%0.30128%0.281SS..Hα-helixtrans-62.1-37.4177.3-58.80000111.7S307 E314 L414S307-S310 PolarHBondContact O-N 3.11Å; S307-S310 VanDerWaalsContact OG-CB 3.3Å; S307-S310 WeakPolarHBondContact OG-CB 3.34Å; S307-S310 PolarHBondContact OG-OG 3.38Å; S310-E314 PolarHBondContact O-N 2.95Å; S310-L414 WeakPolarHBondContact O-CD2 3.28Å
311F87.5Confident85.5Confident3 Ų352 Ų521%0.01328%0.278CS..Hα-helixtrans-63.6-47.2174.8170.5-106.2000112.3M306 S307 P308 E309 E313 E314 A315 V332 I338 I340 L414M306-F311 HydrophobicContact CG-CB 4.17Å; M306-F311 HydrophobicContact SD-CB 3.84Å; M306-F311 HydrophobicContact SD-CD2 3.71Å; M306-F311 HydrophobicContact SD-CG 4.17Å; S307-F311 WeakPolarHBondContact O-CB 3.37Å; S307-F311 PolarHBondContact O-N 3.17Å; P308-F311 PolarHBondContact O-N 2.84Å; E309-F311 VanDerWaalsContact C-N 3.27Å; E309-F311 PolarHBondContact O-N 3.06Å; F311-E313 VanDerWaalsContact C-N 3.35Å; F311-E313 PolarHBondContact O-N 2.62Å; F311-E314 PolarHBondContact O-N 3.45Å; F311-A315 HydrophobicContact CZ-CB 4.5Å; F311-A315 VanDerWaalsContact O-CB 3.3Å; F311-A315 WeakPolarHBondContact O-CB 3.41Å; F311-A315 PolarHBondContact O-N 3.45Å; F311-V332 HydrophobicContact CE1-CB 3.76Å; F311-V332 HydrophobicContact CE1-CG1 3.81Å; F311-V332 HydrophobicContact CE1-CG2 4.08Å; F311-V332 HydrophobicContact CZ-CB 3.87Å; F311-V332 HydrophobicContact CZ-CG1 3.45Å; F311-V332 VanDerWaalsContact CZ-CG1 3.45Å; F311-I338 HydrophobicContact CB-CD1 3.97Å; F311-I338 HydrophobicContact CD1-CD1 4.13Å; F311-I338 HydrophobicContact CD1-CG1 4.4Å; F311-I338 HydrophobicContact CD1-CG2 3.69Å; F311-I338 HydrophobicContact CD2-CG2 4.05Å; F311-I338 HydrophobicContact CE1-CG2 3.41Å; F311-I338 VanDerWaalsContact CE1-CG2 3.41Å; F311-I338 HydrophobicContact CE2-CG2 3.81Å; F311-I338 HydrophobicContact CG-CD1 4.01Å; F311-I338 HydrophobicContact CG-CG2 3.99Å; F311-I338 HydrophobicContact CZ-CG2 3.46Å; F311-I338 VanDerWaalsContact CZ-CG2 3.46Å; F311-I340 HydrophobicContact CE2-CD1 3.77Å; F311-I340 HydrophobicContact CE2-CG1 3.72Å; F311-I340 HydrophobicContact CZ-CD1 4.37Å; F311-I340 HydrophobicContact CZ-CG1 3.81Å; F311-L414 HydrophobicContact CD2-CD1 4.45Å
312L86.9Confident85.3Confident45 Ų4555.4 Ų55.424%0.23629%0.293CS..Hα-helixtrans-62.9-40.9179.1-79.3174000111.8E265 P308 E309 E314 A315 Q316 V332E265-L312 HydrophobicContact CG-CD2 4.18Å; P308-L312 WeakPolarHBondContact O-CB 3.19Å; P308-L312 WeakPolarHBondContact O-CG 3.37Å; P308-L312 PolarHBondContact O-N 2.92Å; E309-L312 PolarHBondContact O-N 3.39Å; L312-E314 PolarHBondContact O-N 3.14Å; L312-A315 PolarHBondContact O-N 3Å; L312-Q316 WeakPolarHBondContact O-CG 3.45Å; L312-Q316 PolarHBondContact O-N 3.14Å; L312-V332 HydrophobicContact CD2-CG2 4.19Å
313E85.4Confident85.5Confident147 Ų14752.9 Ų52.969%0.68728%0.282SS*.Hα-helixtrans-58.1-46.4175.5-73.5-175.7179.500112.3E309 F311 Q316 I317E309-E313 PolarHBondContact O-N 3.44Å; F311-E313 VanDerWaalsContact C-N 3.35Å; F311-E313 PolarHBondContact O-N 2.62Å; E313-Q316 PolarHBondContact O-N 3.05Å; E313-I317 PolarHBondContact O-N 3.24Å
314E82.6Confident85.6Confident8 Ų854.2 Ų54.24%0.03728%0.284CS..Hα-helixtrans-71-38.4178.5-164.667.2-132.400112S310 F311 L312 Q316 I317 M318 Y386 L414S310-E314 PolarHBondContact O-N 2.95Å; F311-E314 PolarHBondContact O-N 3.45Å; L312-E314 PolarHBondContact O-N 3.14Å; E314-Q316 PolarHBondContact O-N 2.85Å; E314-I317 WeakPolarHBondContact O-CA 3.46Å; E314-I317 WeakPolarHBondContact O-CB 3.25Å; E314-I317 PolarHBondContact O-N 3.45Å; E314-M318 HydrophobicContact CG-CG 4.48Å; E314-M318 HydrophobicContact CG-SD 4.34Å; E314-M318 WeakPolarHBondContact O-CG 3.29Å; E314-M318 PolarHBondContact O-N 2.88Å; E314-Y386 WeakPolarHBondContact OE1-CE2 3.43Å; E314-Y386 VanDerWaalsContact OE1-CZ 3.3Å; E314-Y386 PolarHBondContact OE1-OH 2.73Å; E314-L414 HydrophobicContact CB-CD1 3.58Å; E314-L414 HydrophobicContact CB-CD2 3.95Å; E314-L414 HydrophobicContact CB-CG 4.1Å; E314-L414 HydrophobicContact CG-CD1 3.8Å; E314-L414 HydrophobicContact CG-CD2 4.28Å; E314-L414 HydrophobicContact CG-CG 4.1Å
315A84.5Confident86.1Confident8 Ų852.1 Ų52.17%0.06626%0.26CS..Hα-helixtrans-59-35.4176.100000111.4F311 L312 I317 M318 K319 V332F311-A315 HydrophobicContact CZ-CB 4.5Å; F311-A315 VanDerWaalsContact O-CB 3.3Å; F311-A315 WeakPolarHBondContact O-CB 3.41Å; F311-A315 PolarHBondContact O-N 3.45Å; L312-A315 PolarHBondContact O-N 3Å; A315-I317 VanDerWaalsContact C-N 3.3Å; A315-I317 PolarHBondContact O-N 3.37Å; A315-M318 PolarHBondContact O-N 3.12Å; A315-K319 VanDerWaalsContact O-CB 3.32Å; A315-K319 WeakPolarHBondContact O-CB 3.11Å; A315-K319 PolarHBondContact O-N 3.39Å; A315-V332 HydrophobicContact CB-CG1 4.37Å
316Q83.7Confident86.7Confident94 Ų9451.5 Ų51.544%0.43926%0.256SS..Hα-helixtrans-65.1-31173-68.7-61.1-28.200113.2L312 E313 E314L312-Q316 WeakPolarHBondContact O-CG 3.45Å; L312-Q316 PolarHBondContact O-N 3.14Å; E313-Q316 PolarHBondContact O-N 3.05Å; E314-Q316 PolarHBondContact O-N 2.85Å
317I83.4Confident87.2Confident66 Ų6651.7 Ų51.734%0.33826%0.257SS..Hα-helixtrans-74.8-49.3173.6-58.4171.2000109.5E313 E314 A315 K319 K320 Y386E313-I317 PolarHBondContact O-N 3.24Å; E314-I317 WeakPolarHBondContact O-CA 3.46Å; E314-I317 WeakPolarHBondContact O-CB 3.25Å; E314-I317 PolarHBondContact O-N 3.45Å; A315-I317 VanDerWaalsContact C-N 3.3Å; A315-I317 PolarHBondContact O-N 3.37Å; I317-K319 PolarHBondContact O-N 3.32Å; I317-K320 WeakPolarHBondContact O-CB 3.47Å; I317-K320 PolarHBondContact O-N 3.44Å; I317-Y386 HydrophobicContact CB-CE2 4.48Å; I317-Y386 HydrophobicContact CG2-CD2 3.83Å; I317-Y386 HydrophobicContact CG2-CE2 3.51Å
318M82.2Confident87.4Confident11 Ų1151.2 Ų51.25%0.05425%0.252CS..Hα-helixtrans-57.1-37178.5-66.5174.369.100112E314 A315 K320 L321 L329 F409 L411E314-M318 HydrophobicContact CG-CG 4.48Å; E314-M318 HydrophobicContact CG-SD 4.34Å; E314-M318 WeakPolarHBondContact O-CG 3.29Å; E314-M318 PolarHBondContact O-N 2.88Å; A315-M318 PolarHBondContact O-N 3.12Å; M318-K320 PolarHBondContact O-N 3.41Å; M318-L321 WeakPolarHBondContact O-CB 3.44Å; M318-L321 PolarHBondContact O-N 3.4Å; M318-L321 VanDerWaalsContact O-N 3.08Å; M318-L329 HydrophobicContact CB-CD2 3.77Å; M318-L329 HydrophobicContact CE-CD2 4.33Å; M318-F409 HydrophobicContact CB-CE2 3.99Å; M318-F409 HydrophobicContact CE-CD2 4.22Å; M318-F409 HydrophobicContact CE-CE2 4.03Å; M318-F409 HydrophobicContact CE-CZ 4.47Å; M318-F409 WeakPolarHBondContact CE-O 3.27Å; M318-F409 HydrophobicContact CG-CD2 4.15Å; M318-F409 HydrophobicContact CG-CE2 3.98Å; M318-L411 HydrophobicContact CE-CD2 4.4Å; M318-L411 HydrophobicContact SD-CD2 4.19Å
319K80.3Confident87.5Confident39 Ų3949.7 Ų49.717%0.1724%0.241CC..Hα-helixtrans-55.3-34.9174.6177175.7-177.7178.10113.2K261 W264 A315 I317 L321K261-K319 WeakPolarHBondContact O-CE 3.45Å; K261-K319 PolarHBondContact O-NZ 3.25Å; W264-K319 HydrophobicContact CD2-CD 4.47Å; W264-K319 HydrophobicContact CE3-CD 3.71Å; W264-K319 HydrophobicContact CE3-CG 4Å; W264-K319 HydrophobicContact CH2-CG 4.26Å; W264-K319 HydrophobicContact CZ3-CB 4.42Å; W264-K319 HydrophobicContact CZ3-CD 3.92Å; W264-K319 HydrophobicContact CZ3-CG 3.69Å; A315-K319 VanDerWaalsContact O-CB 3.32Å; A315-K319 WeakPolarHBondContact O-CB 3.11Å; A315-K319 PolarHBondContact O-N 3.39Å; I317-K319 PolarHBondContact O-N 3.32Å; K319-L321 VanDerWaalsContact C-N 3.33Å
320K83.8Confident87.5Confident149 Ų14944.3 Ų44.365%0.64822%0.215SC*.Hα-helixtrans-79.7-17-178.3-64.4174.2-175.4174.10112.7I317 M318 K322 Y380I317-K320 WeakPolarHBondContact O-CB 3.47Å; I317-K320 PolarHBondContact O-N 3.44Å; M318-K320 PolarHBondContact O-N 3.41Å; K320-K322 PolarHBondContact O-N 3.2Å; K320-K322 VanDerWaalsContact O-N 3.1Å; K320-Y380 PolarHBondContact O-OH 3.18Å
321L87.6Confident87.8Confident8 Ų842.2 Ų42.24%0.04220%0.201CC..  trans-8481.6-178.8-59.8178.3000110.3M318 K319 L326 Y380 M384 Y386 F409M318-L321 WeakPolarHBondContact O-CB 3.44Å; M318-L321 PolarHBondContact O-N 3.4Å; M318-L321 VanDerWaalsContact O-N 3.08Å; K319-L321 VanDerWaalsContact C-N 3.33Å; L321-L326 HydrophobicContact CB-CD1 4.05Å; L321-Y380 HydrophobicContact CB-CE1 4.16Å; L321-Y380 HydrophobicContact CD2-CE1 4.08Å; L321-M384 HydrophobicContact CD2-CB 3.67Å; L321-M384 HydrophobicContact CD2-CE 4.32Å; L321-M384 HydrophobicContact CD2-CG 3.79Å; L321-Y386 HydrophobicContact CD1-CD1 3.71Å; L321-Y386 HydrophobicContact CD1-CD2 4.38Å; L321-Y386 HydrophobicContact CD1-CE1 3.86Å; L321-Y386 HydrophobicContact CD1-CG 3.96Å; L321-F409 HydrophobicContact CB-CE2 4.17Å; L321-F409 HydrophobicContact CD1-CD2 3.82Å; L321-F409 HydrophobicContact CD1-CE2 3.78Å
322K88.2Confident88.1Confident79 Ų7942.2 Ų42.234%0.34320%0.201SC..  trans-102.9111.9178.5-66.9-170.8172.5-169.60110.5D255 K320 Y380D255-K322 IonicContact OD1-NZ 3.72Å; D255-K322 IonicContact OD2-NZ 3.76Å; K320-K322 PolarHBondContact O-N 3.2Å; K320-K322 VanDerWaalsContact O-N 3.1Å; K322-Y380 PolarHBondContact N-OH 3.28Å; K322-Y380 VanDerWaalsContact N-OH 3.09Å; K322-Y380 PolarHBondContact O-OH 3.06Å
323H91.7Very high88.5Confident48 Ų4840.3 Ų40.322%0.22219%0.192CC..  trans-157.6145177.6-176.9-98.1000111.8K325 L326 Y380H323-K325 PolarHBondContact ND1-N 3.36Å; H323-K325 VanDerWaalsContact ND1-N 3.14Å; H323-K325 PolarHBondContact O-N 3.17Å; H323-L326 HydrophobicContact CB-CB 4.46Å; H323-L326 HydrophobicContact CB-CD1 4.11Å; H323-L326 HydrophobicContact CB-CG 3.98Å; H323-L326 PolarHBondContact O-N 2.82Å; H323-Y380 HydrophobicContact CB-CD1 3.62Å; H323-Y380 HydrophobicContact CB-CD2 4.1Å; H323-Y380 HydrophobicContact CB-CE1 3.85Å; H323-Y380 HydrophobicContact CB-CE2 4.32Å; H323-Y380 HydrophobicContact CB-CG 3.74Å; H323-Y380 AromaticContact CD2-CD2 3.8Å; H323-Y380 AromaticContact CD2-CG 3.75Å; H323-Y380 AromaticContact CG-CG 3.77Å
324D91.3Very high88.7Confident118 Ų11834.1 Ų34.163%0.63117%0.165SC*.THydrogen-bonded Turntrans-60-24.4-174.7-73.9-8.2000114.7K405D324-K405 WeakPolarHBondContact O-CE 3.41Å; D324-K405 PolarHBondContact O-NZ 3.44Å
325K95.8Very high89.1Confident12 Ų1240.7 Ų40.75%0.05220%0.195CC..THydrogen-bonded Turntrans-101.912.4179.2-50.2-58.1-169.4-78.40113.1D158 H323 Q373 A376 K405 I406D158-K325 IonicContact OD1-NZ 2.65Å; D158-K325 PolarHBondContact OD1-NZ 3.41Å; D158-K325 VanDerWaalsContact OD1-NZ 3.09Å; D158-K325 IonicContact OD2-NZ 3.7Å; H323-K325 PolarHBondContact ND1-N 3.36Å; H323-K325 VanDerWaalsContact ND1-N 3.14Å; H323-K325 PolarHBondContact O-N 3.17Å; K325-Q373 WeakPolarHBondContact CB-O 3.43Å; K325-Q373 HydrophobicContact CD-CB 4.02Å; K325-Q373 HydrophobicContact CD-CG 4.29Å; K325-Q373 WeakPolarHBondContact CG-O 3.35Å; K325-A376 HydrophobicContact CG-CB 4.34Å; K325-K405 CarbonylContact O-C 3.44Å; K325-K405 WeakPolarHBondContact O-CA 3.45Å; K325-I406 PolarHBondContact O-N 2.76Å
326L95Very high89.4Confident2 Ų244.6 Ų44.61%0.0121%0.212CC..BIsolated β-bridgetrans-111.1148.1167.1-59.2-174.5000109.4L321 H323 Q328 Y380 I381 K405 I406 F409L321-L326 HydrophobicContact CB-CD1 4.05Å; H323-L326 HydrophobicContact CB-CB 4.46Å; H323-L326 HydrophobicContact CB-CD1 4.11Å; H323-L326 HydrophobicContact CB-CG 3.98Å; H323-L326 PolarHBondContact O-N 2.82Å; L326-Q328 PolarHBondContact O-N 3.41Å; L326-Y380 HydrophobicContact CD1-CD1 3.66Å; L326-Y380 HydrophobicContact CD1-CE1 3.79Å; L326-Y380 HydrophobicContact CG-CD1 4.48Å; L326-I381 HydrophobicContact CD1-CG1 4.25Å; L326-I381 HydrophobicContact CD2-CD1 3.75Å; L326-I381 HydrophobicContact CD2-CG1 4.16Å; L326-K405 WeakPolarHBondContact O-CD 3.45Å; L326-K405 PolarHBondContact O-NZ 3.33Å; L326-I406 HydrophobicContact CD2-CB 3.72Å; L326-I406 HydrophobicContact CD2-CD1 3.82Å; L326-I406 HydrophobicContact CD2-CG1 4.19Å; L326-I406 HydrophobicContact CD2-CG2 4.41Å; L326-F409 HydrophobicContact CB-CE1 4.15Å
327V94Very high89.8Confident8 Ų842.3 Ų42.35%0.04821%0.206CC..PPolyproline II helixtrans-71.3121.6171.5172.40000108.6L329 T342 E343 L397 K405 I406 A407V327-L329 PolarHBondContact O-N 2.79Å; V327-T342 HydrophobicContact CG1-CG2 4.18Å; V327-E343 WeakPolarHBondContact CA-OE1 3.32Å; V327-E343 HydrophobicContact CG1-CG 3.93Å; V327-L397 HydrophobicContact CG2-CB 4.42Å; V327-L397 HydrophobicContact CG2-CD1 3.86Å; V327-L397 HydrophobicContact CG2-CG 4.29Å; V327-K405 HydrophobicContact CG2-CB 3.65Å; V327-I406 WeakPolarHBondContact CG2-O 3.4Å; V327-I406 PolarHBondContact N-O 2.9Å; V327-A407 HydrophobicContact CB-CB 4.32Å; V327-A407 HydrophobicContact CG2-CB 3.82Å
328Q90.1Very high90.2Very high20 Ų2039.4 Ų39.49%0.09319%0.19CC..PPolyproline II helixtrans-69.7117.1178.7-171.156.862.500109.4T254 L326 Y330 T342 E343T254-Q328 WeakPolarHBondContact O-CG 3.46Å; L326-Q328 PolarHBondContact O-N 3.41Å; Q328-Y330 HydrophobicContact CB-CE1 4.23Å; Q328-Y330 HydrophobicContact CG-CD1 3.92Å; Q328-Y330 HydrophobicContact CG-CE1 3.66Å; Q328-T342 VanDerWaalsContact O-CA 3.29Å; Q328-T342 WeakPolarHBondContact O-CA 3.47Å; Q328-T342 WeakPolarHBondContact O-CB 3.45Å; Q328-E343 HydrophobicContact CB-CG 4.34Å; Q328-E343 PolarHBondContact N-OE1 2.95Å; Q328-E343 PolarHBondContact O-N 3.31Å; Q328-E343 VanDerWaalsContact O-N 3.08Å
329L89.6Confident90.8Very high5 Ų540.3 Ų40.33%0.02619%0.194CC..EExtended strand (participates in β ladder)trans-64.6140.4161.5-161.655.6000106.1W264 M318 V327 I340 T342W264-L329 VanDerWaalsContact CH2-C 3.47Å; W264-L329 HydrophobicContact CH2-CB 4.06Å; W264-L329 HydrophobicContact CH2-CG 4.35Å; W264-L329 WeakPolarHBondContact CH2-O 3.47Å; W264-L329 HydrophobicContact CZ2-CB 3.46Å; W264-L329 VanDerWaalsContact CZ2-CB 3.46Å; W264-L329 HydrophobicContact CZ2-CD2 3.94Å; W264-L329 HydrophobicContact CZ2-CG 3.34Å; W264-L329 WeakPolarHBondContact CZ2-O 3.5Å; M318-L329 HydrophobicContact CB-CD2 3.77Å; M318-L329 HydrophobicContact CE-CD2 4.33Å; V327-L329 PolarHBondContact O-N 2.79Å; L329-I340 HydrophobicContact CD1-CG2 3.24Å; L329-T342 HydrophobicContact CD1-CG2 3.89Å
330Y89.3Confident91.4Very high17 Ų1738.8 Ų38.87%0.06719%0.187CC..EExtended strand (participates in β ladder)trans-115.3-45.8175.3-78.5-29.8000114.6L253 L256 W264 V296 Q328 V341 T342 E343L253-Y330 WeakPolarHBondContact O-CE1 3.39Å; L253-Y330 PolarHBondContact O-OH 3.43Å; L256-Y330 HydrophobicContact CD2-CD2 3.93Å; L256-Y330 HydrophobicContact CD2-CG 4.01Å; L256-Y330 HydrophobicContact CG-CG 4.13Å; W264-Y330 VanDerWaalsContact CE2-O 3.29Å; W264-Y330 VanDerWaalsContact CZ2-CA 3.47Å; W264-Y330 VanDerWaalsContact CZ2-N 3.26Å; W264-Y330 WeakPolarHBondContact CZ2-O 3.4Å; V296-Y330 HydrophobicContact CG1-CD2 4.08Å; V296-Y330 HydrophobicContact CG1-CE2 4.5Å; Q328-Y330 HydrophobicContact CB-CE1 4.23Å; Q328-Y330 HydrophobicContact CG-CD1 3.92Å; Q328-Y330 HydrophobicContact CG-CE1 3.66Å; Y330-V341 PolarHBondContact N-O 3.05Å; Y330-T342 VanDerWaalsContact CD2-C 3.48Å; Y330-E343 VanDerWaalsContact CE2-CA 3.44Å; Y330-E343 HydrophobicContact CE2-CB 3.75Å
331A91.9Very high91.9Very high0 Ų031.7 Ų31.70%016%0.156CC..EExtended strand (participates in β ladder)trans-155.9168.1-176.700000110.5L256 W264 I266 V341L256-A331 HydrophobicContact CD1-CB 3.72Å; W264-A331 PolarHBondContact NE1-O 3.2Å; W264-A331 WeakPolarHBondContact O-CA 3.37Å; W264-A331 WeakPolarHBondContact O-CB 3.39Å; I266-A331 HydrophobicContact CB-CB 4.44Å; I266-A331 HydrophobicContact CD1-CB 3.5Å; I266-A331 VanDerWaalsContact CD1-CB 3.5Å; I266-A331 HydrophobicContact CG1-CB 3.8Å; I266-A331 HydrophobicContact CG2-CB 3.83Å; A331-V341 HydrophobicContact CB-CB 4Å; A331-V341 HydrophobicContact CB-CG2 4.24Å; A331-V341 PolarHBondContact N-O 2.77Å; A331-V341 WeakPolarHBondContact O-CB 2.95Å; A331-V341 PolarHBondContact O-N 3.07Å
332V93Very high92.2Very high2 Ų232.6 Ų32.61%0.01216%0.162CC..EExtended strand (participates in β ladder)trans-136.1155171.2-61.40000110.2W264 E265 I266 F311 L312 A315 Y339W264-V332 PolarHBondContact O-N 3.39Å; E265-V332 WeakPolarHBondContact CA-O 3.23Å; E265-V332 HydrophobicContact CG-CG2 3.97Å; I266-V332 PolarHBondContact N-O 2.94Å; F311-V332 HydrophobicContact CE1-CB 3.76Å; F311-V332 HydrophobicContact CE1-CG1 3.81Å; F311-V332 HydrophobicContact CE1-CG2 4.08Å; F311-V332 HydrophobicContact CZ-CB 3.87Å; F311-V332 HydrophobicContact CZ-CG1 3.45Å; F311-V332 VanDerWaalsContact CZ-CG1 3.45Å; L312-V332 HydrophobicContact CD2-CG2 4.19Å; A315-V332 HydrophobicContact CB-CG1 4.37Å; V332-Y339 CarbonylContact C-O 3.59Å; V332-Y339 VanDerWaalsContact CA-O 3.24Å; V332-Y339 WeakPolarHBondContact CA-O 3.46Å
333V94.4Very high92.4Very high6 Ų629.1 Ų29.14%0.03615%0.147CC..EExtended strand (participates in β ladder)trans-112.7110.6160.2-175.80000105.3I266 R268 L271 I338 Y339I266-V333 HydrophobicContact CG1-CG2 4.21Å; R268-V333 HydrophobicContact CB-CG1 4.25Å; L271-V333 HydrophobicContact CD1-CG2 3.89Å; V333-I338 VanDerWaalsContact O-CA 3.32Å; V333-I338 WeakPolarHBondContact O-CA 3.42Å; V333-Y339 HydrophobicContact CB-CG 4.41Å; V333-Y339 HydrophobicContact CG2-CD2 4.31Å; V333-Y339 HydrophobicContact CG2-CG 4.37Å; V333-Y339 PolarHBondContact N-O 3.09Å; V333-Y339 PolarHBondContact O-N 3.04Å
334S90.7Very high92.5Very high17 Ų1729.8 Ų29.812%0.11915%0.148CC..  trans-76.9-32.5-174.753.90000112.6E265 I338E265-S334 VanDerWaalsContact OE2-CB 3.28Å; E265-S334 WeakPolarHBondContact OE2-CB 3.39Å; E265-S334 PolarHBondContact OE2-OG 2.92Å; S334-I338 WeakPolarHBondContact O-CG1 3.34Å
335E90.3Very high92.7Very high145 Ų14524.6 Ų24.668%0.67812%0.12SC*.SBendtrans-64.3137.3175.8-63.9-175.2170.700111.2R268 P337R268-E335 PolarHBondContact NH2-O 3.5Å; E335-P337 CarbonylContact O-C 3.17Å; E335-P337 VanDerWaalsContact O-O 3.07Å
336E90.4Very high92.5Very high90 Ų9027.5 Ų27.542%0.42114%0.136SC..SBendtrans-65139.8177-71.6-159.6136.300112R268 P303 G304 P308 I338R268-E336 PolarHBondContact NH2-O 3.08Å; P303-E336 WeakPolarHBondContact CA-OE1 3.4Å; G304-E336 PolarHBondContact N-OE1 3.13Å; P308-E336 HydrophobicContact CG-CG 4.32Å; E336-I338 HydrophobicContact CG-CG1 4.47Å
337P92.1Very high92.5Very high47 Ų4729.7 Ų29.731%0.30515%0.146SC..SBendcis-70.2129.7-628.3-33.7000112.2R268 L301 E335 Y339R268-P337 PolarHBondContact NH1-O 3.13Å; R268-P337 PolarHBondContact NH2-O 3.2Å; L301-P337 WeakPolarHBondContact O-CB 3.32Å; E335-P337 CarbonylContact O-C 3.17Å; E335-P337 VanDerWaalsContact O-O 3.07Å; P337-Y339 HydrophobicContact CB-CE1 4.29Å; P337-Y339 HydrophobicContact CG-CE1 3.97Å; P337-Y339 VanDerWaalsContact O-CD1 3.24Å; P337-Y339 WeakPolarHBondContact O-CD1 3.5Å; P337-Y339 PolarHBondContact O-N 3.37Å
338I92.9Very high92.6Very high4 Ų430.8 Ų30.82%0.02116%0.159CC..PPolyproline II helixtrans-63.1130.1-176.9-69.7165000110.2L301 M306 F311 V333 S334 E336 I340L301-I338 HydrophobicContact CB-CB 4.27Å; L301-I338 HydrophobicContact CD1-CB 4.17Å; L301-I338 HydrophobicContact CD1-CG2 3.95Å; L301-I338 HydrophobicContact CG-CB 4.45Å; L301-I338 HydrophobicContact CG-CG2 4.44Å; L301-I338 PolarHBondContact N-O 2.76Å; M306-I338 HydrophobicContact CG-CD1 4.05Å; F311-I338 HydrophobicContact CB-CD1 3.97Å; F311-I338 HydrophobicContact CD1-CD1 4.13Å; F311-I338 HydrophobicContact CD1-CG1 4.4Å; F311-I338 HydrophobicContact CD1-CG2 3.69Å; F311-I338 HydrophobicContact CD2-CG2 4.05Å; F311-I338 HydrophobicContact CE1-CG2 3.41Å; F311-I338 VanDerWaalsContact CE1-CG2 3.41Å; F311-I338 HydrophobicContact CE2-CG2 3.81Å; F311-I338 HydrophobicContact CG-CD1 4.01Å; F311-I338 HydrophobicContact CG-CG2 3.99Å; F311-I338 HydrophobicContact CZ-CG2 3.46Å; F311-I338 VanDerWaalsContact CZ-CG2 3.46Å; V333-I338 VanDerWaalsContact O-CA 3.32Å; V333-I338 WeakPolarHBondContact O-CA 3.42Å; S334-I338 WeakPolarHBondContact O-CG1 3.34Å; E336-I338 HydrophobicContact CG-CG1 4.47Å; I338-I340 HydrophobicContact CG2-CG1 4.48Å
339Y95.1Very high92.9Very high31 Ų3130.5 Ų30.512%0.12216%0.159CC..EExtended strand (participates in β ladder)trans-111.3135.2172.8-67.83.9000110.9R268 L271 L273 I298 K299 T300 V332 V333 P337R268-Y339 HydrophobicContact CG-CD2 4.48Å; R268-Y339 HydrophobicContact CG-CE2 4.06Å; R268-Y339 VanDerWaalsContact NH1-CD1 3.31Å; L271-Y339 HydrophobicContact CD1-CD2 3.84Å; L273-Y339 HydrophobicContact CD1-CE2 4.4Å; L273-Y339 HydrophobicContact CD2-CE2 4.36Å; I298-Y339 HydrophobicContact CG2-CD2 3.71Å; I298-Y339 HydrophobicContact CG2-CE2 4.36Å; I298-Y339 HydrophobicContact CG2-CG 3.93Å; K299-Y339 CarbonylContact O-C 3.57Å; K299-Y339 WeakPolarHBondContact O-CA 3.49Å; T300-Y339 HydrophobicContact CG2-CD1 3.63Å; T300-Y339 HydrophobicContact CG2-CE1 3.33Å; T300-Y339 HydrophobicContact CG2-CE2 4.35Å; T300-Y339 HydrophobicContact CG2-CG 4.28Å; V332-Y339 CarbonylContact C-O 3.59Å; V332-Y339 VanDerWaalsContact CA-O 3.24Å; V332-Y339 WeakPolarHBondContact CA-O 3.46Å; V333-Y339 HydrophobicContact CB-CG 4.41Å; V333-Y339 HydrophobicContact CG2-CD2 4.31Å; V333-Y339 HydrophobicContact CG2-CG 4.37Å; V333-Y339 PolarHBondContact N-O 3.09Å; V333-Y339 PolarHBondContact O-N 3.04Å; P337-Y339 HydrophobicContact CB-CE1 4.29Å; P337-Y339 HydrophobicContact CG-CE1 3.97Å; P337-Y339 VanDerWaalsContact O-CD1 3.24Å; P337-Y339 WeakPolarHBondContact O-CD1 3.5Å; P337-Y339 PolarHBondContact O-N 3.37Å
340I93.1Very high93.3Very high7 Ų730.2 Ų30.24%0.03616%0.157CC..EExtended strand (participates in β ladder)trans-110.8116.5173.3-52.6-178.8000107.3I298 K299 L301 F311 L329 I338 T342 L411I298-I340 WeakPolarHBondContact CA-O 3.45Å; K299-I340 HydrophobicContact CB-CB 4.22Å; K299-I340 PolarHBondContact N-O 2.98Å; K299-I340 PolarHBondContact O-N 3.1Å; L301-I340 HydrophobicContact CD1-CD1 4.36Å; F311-I340 HydrophobicContact CE2-CD1 3.77Å; F311-I340 HydrophobicContact CE2-CG1 3.72Å; F311-I340 HydrophobicContact CZ-CD1 4.37Å; F311-I340 HydrophobicContact CZ-CG1 3.81Å; L329-I340 HydrophobicContact CD1-CG2 3.24Å; I338-I340 HydrophobicContact CG2-CG1 4.48Å; I340-T342 HydrophobicContact CG2-CG2 4.06Å; I340-L411 HydrophobicContact CD1-CD1 3.88Å; I340-L411 HydrophobicContact CD1-CD2 3.67Å; I340-L411 HydrophobicContact CD1-CG 4.46Å
341V94.2Very high93.6Very high0 Ų031 Ų310%016%0.163CC..EExtended strand (participates in β ladder)trans-102.9124.6-178.3-171.60000109.3I266 L271 V296 A297 I298 Y330 A331I266-V341 HydrophobicContact CD1-CG2 4.13Å; L271-V341 HydrophobicContact CD1-CG2 3.66Å; L271-V341 HydrophobicContact CD2-CG1 4.32Å; L271-V341 HydrophobicContact CD2-CG2 3.98Å; L271-V341 HydrophobicContact CG-CG2 4.47Å; V296-V341 HydrophobicContact CB-CG1 3.71Å; V296-V341 HydrophobicContact CG1-CG1 3.84Å; V296-V341 HydrophobicContact CG2-CG1 3.92Å; A297-V341 WeakPolarHBondContact O-CA 3.22Å; I298-V341 HydrophobicContact CG1-CG2 4.46Å; Y330-V341 PolarHBondContact N-O 3.05Å; A331-V341 HydrophobicContact CB-CB 4Å; A331-V341 HydrophobicContact CB-CG2 4.24Å; A331-V341 PolarHBondContact N-O 2.77Å; A331-V341 WeakPolarHBondContact O-CB 2.95Å; A331-V341 PolarHBondContact O-N 3.07Å
342T93.3Very high93.8Very high26 Ų2635.2 Ų35.216%0.1619%0.185CC..EExtended strand (participates in β ladder)trans-135.2172.3-177.465.40000111.4A297 V327 Q328 L329 Y330 I340A297-T342 PolarHBondContact N-O 3.06Å; A297-T342 PolarHBondContact O-N 3.3Å; V327-T342 HydrophobicContact CG1-CG2 4.18Å; Q328-T342 VanDerWaalsContact O-CA 3.29Å; Q328-T342 WeakPolarHBondContact O-CA 3.47Å; Q328-T342 WeakPolarHBondContact O-CB 3.45Å; L329-T342 HydrophobicContact CD1-CG2 3.89Å; Y330-T342 VanDerWaalsContact CD2-C 3.48Å; I340-T342 HydrophobicContact CG2-CG2 4.06Å
343E91.8Very high94Very high6 Ų635.5 Ų35.53%0.02819%0.186CC..EExtended strand (participates in β ladder)trans-59.7137.6168.565.9-177.2139.600112.3R252 V327 Q328 Y330 K405R252-E343 WeakPolarHBondContact CD-OE2 3.25Å; R252-E343 IonicContact CZ-OE2 3.98Å; R252-E343 IonicContact NE-OE2 3.67Å; R252-E343 IonicContact NH1-OE2 3.97Å; R252-E343 PolarHBondContact NH1-OE2 3.14Å; V327-E343 WeakPolarHBondContact CA-OE1 3.32Å; V327-E343 HydrophobicContact CG1-CG 3.93Å; Q328-E343 HydrophobicContact CB-CG 4.34Å; Q328-E343 PolarHBondContact N-OE1 2.95Å; Q328-E343 PolarHBondContact O-N 3.31Å; Q328-E343 VanDerWaalsContact O-N 3.08Å; Y330-E343 VanDerWaalsContact CE2-CA 3.44Å; Y330-E343 HydrophobicContact CE2-CB 3.75Å; E343-K405 VanDerWaalsContact CD-NZ 3.31Å; E343-K405 VanDerWaalsContact OE1-CD 3.25Å; E343-K405 WeakPolarHBondContact OE1-CD 3.37Å; E343-K405 WeakPolarHBondContact OE1-CE 3.41Å; E343-K405 IonicContact OE1-NZ 3.64Å; E343-K405 PolarHBondContact OE1-NZ 3.47Å; E343-K405 IonicContact OE2-NZ 3Å; E343-K405 PolarHBondContact OE2-NZ 2.89Å; E343-K405 VanDerWaalsContact OE2-NZ 3.13Å
344Y94.2Very high94.2Very high62 Ų6235.2 Ų35.224%0.24318%0.184CC..  trans-80.5122.6175.7174.7-109.6000111.4L277 M287 K295 A297 N346L277-Y344 HydrophobicContact CD1-CD2 4.01Å; L277-Y344 HydrophobicContact CD1-CE2 3.65Å; L277-Y344 HydrophobicContact CD2-CE2 4.11Å; M287-Y344 HydrophobicContact CB-CD2 4.25Å; M287-Y344 HydrophobicContact CB-CE2 4.02Å; M287-Y344 HydrophobicContact CG-CD2 4.06Å; M287-Y344 HydrophobicContact CG-CE2 3.96Å; M287-Y344 HydrophobicContact CG-CG 4.46Å; K295-Y344 HydrophobicContact CD-CD1 3.62Å; K295-Y344 HydrophobicContact CD-CE1 4.08Å; K295-Y344 HydrophobicContact CD-CG 4.31Å; K295-Y344 HydrophobicContact CG-CD1 4.09Å; K295-Y344 HydrophobicContact CG-CG 4.29Å; A297-Y344 HydrophobicContact CB-CD2 4.44Å; Y344-N346 HydrophobicContact CD1-CB 4.46Å; Y344-N346 HydrophobicContact CE1-CB 3.81Å
345M94.6Very high94.4Very high10 Ų1037.7 Ų37.75%0.04919%0.193CC..  trans-103.5110.2176.8-67.7-70.3-79.500110.6K347 G348 L397 G399 K405M345-K347 PolarHBondContact O-N 3.42Å; M345-G348 PolarHBondContact O-N 3.03Å; M345-L397 HydrophobicContact CB-CB 3.65Å; M345-L397 HydrophobicContact CB-CD1 3.94Å; M345-L397 HydrophobicContact CB-CG 4.39Å; M345-L397 HydrophobicContact CE-CB 4.18Å; M345-L397 WeakPolarHBondContact CE-O 3.39Å; M345-L397 HydrophobicContact CG-CB 3.7Å; M345-L397 HydrophobicContact CG-CD1 3.88Å; M345-L397 HydrophobicContact CG-CG 4.46Å; M345-G399 VanDerWaalsContact CE-N 3.35Å; M345-K405 HydrophobicContact CE-CB 4.03Å; M345-K405 HydrophobicContact CE-CD 3.88Å; M345-K405 HydrophobicContact CE-CG 3.83Å; M345-K405 HydrophobicContact SD-CD 3.96Å
346N92.8Very high94.4Very high72 Ų7236.3 Ų36.339%0.38519%0.19SC..THydrogen-bonded Turntrans-73.8-16.4-163.367.4-51000115.7Y344 N400Y344-N346 HydrophobicContact CD1-CB 4.46Å; Y344-N346 HydrophobicContact CE1-CB 3.81Å; N346-N400 PolarHBondContact ND2-OD1 2.82Å; N346-N400 PolarHBondContact OD1-N 3.47Å; N346-N400 PolarHBondContact OD1-OD1 3.36Å
347K94.7Very high94.4Very high49 Ų4933.5 Ų33.521%0.21319%0.185CC..THydrogen-bonded Turntrans-98.55.5175.8-61-175.3176.7-82.50113.4M345 F353 E358 V398 G399M345-K347 PolarHBondContact O-N 3.42Å; K347-F353 HydrophobicContact CB-CD2 4.09Å; K347-F353 HydrophobicContact CB-CE2 4.46Å; K347-F353 HydrophobicContact CD-CD2 4.26Å; K347-F353 HydrophobicContact CD-CE2 3.79Å; K347-E358 IonicContact NZ-OE1 3.65Å; K347-E358 PolarHBondContact NZ-OE1 3.09Å; K347-E358 IonicContact NZ-OE2 2.73Å; K347-E358 PolarHBondContact NZ-OE2 3.42Å; K347-V398 WeakPolarHBondContact CA-O 3.35Å; K347-V398 HydrophobicContact CB-CB 3.95Å; K347-V398 HydrophobicContact CB-CG1 4.07Å; K347-V398 VanDerWaalsContact CB-O 3.3Å; K347-V398 WeakPolarHBondContact CB-O 3.49Å; K347-V398 HydrophobicContact CD-CG1 4.08Å; K347-V398 PolarHBondContact N-O 2.78Å; K347-G399 WeakPolarHBondContact CD-O 3.48Å
348G95.2Very high94.4Very high31 Ų3137.3 Ų37.332%0.3220%0.199SC..  trans72.5-155.8174.400000113.4M345 L397 V398M345-G348 PolarHBondContact O-N 3.03Å; G348-L397 CarbonylContact O-C 3.53Å; G348-L397 WeakPolarHBondContact O-CA 3.36Å; G348-V398 PolarHBondContact O-N 2.96Å
349S96.5Very high94.4Very high13 Ų1337.1 Ų37.19%0.09120%0.198CC..BIsolated β-bridgetrans-70.9151.1178.978.70000111.6L351 D352 F353 I396S349-L351 PolarHBondContact O-N 3.04Å; S349-D352 PolarHBondContact O-N 3.39Å; S349-D352 PolarHBondContact OG-N 3.28Å; S349-D352 VanDerWaalsContact OG-N 3.09Å; S349-D352 PolarHBondContact OG-OD2 3.36Å; S349-F353 WeakPolarHBondContact O-CB 3.29Å; S349-F353 PolarHBondContact O-N 2.92Å; S349-I396 CarbonylContact C-O 3.58Å; S349-I396 VanDerWaalsContact CA-O 3.29Å; S349-I396 WeakPolarHBondContact CA-O 3.47Å
350L98Very high94.3Very high0 Ų042.9 Ų42.90%022%0.22CC..Hα-helixtrans-61.7-34.9174176.161.3000110.8F353 L354 M370 S393 I396 V398 L459L350-F353 HydrophobicContact CD1-CD1 4.3Å; L350-F353 PolarHBondContact O-N 2.9Å; L350-L354 HydrophobicContact CD1-CD1 3.9Å; L350-L354 HydrophobicContact CD1-CD2 4.36Å; L350-L354 HydrophobicContact CD1-CG 3.82Å; L350-L354 HydrophobicContact CG-CD1 3.82Å; L350-L354 HydrophobicContact CG-CG 4.23Å; L350-L354 WeakPolarHBondContact O-CB 3.37Å; L350-L354 WeakPolarHBondContact O-CG 3.32Å; L350-L354 PolarHBondContact O-N 2.78Å; L350-M370 HydrophobicContact CD1-CE 3.21Å; L350-M370 HydrophobicContact CD1-SD 4.38Å; L350-S393 WeakPolarHBondContact CB-O 3.4Å; L350-S393 PolarHBondContact N-O 2.95Å; L350-I396 HydrophobicContact CB-CB 3.76Å; L350-I396 HydrophobicContact CB-CG2 4.03Å; L350-I396 HydrophobicContact CD2-CB 4Å; L350-I396 HydrophobicContact CD2-CG1 4.27Å; L350-I396 HydrophobicContact CD2-CG2 3.99Å; L350-I396 PolarHBondContact N-O 2.87Å; L350-V398 HydrophobicContact CB-CG2 4.02Å; L350-V398 HydrophobicContact CD1-CG2 3.91Å; L350-L459 HydrophobicContact CD1-CD2 4.21Å; L350-L459 HydrophobicContact CD2-CD2 3.94Å; L350-L459 HydrophobicContact CD2-CG 4.36Å; L350-L459 HydrophobicContact CG-CD2 4.48Å
351L97.1Very high94.3Very high34 Ų3446.8 Ų46.818%0.17825%0.253CS..Hα-helixtrans-56.5-55.2174.6-177.759.2000111.4S349 F353 L354 K355 S393 A394S349-L351 PolarHBondContact O-N 3.04Å; L351-F353 VanDerWaalsContact C-N 3.34Å; L351-L354 PolarHBondContact O-N 3.27Å; L351-K355 HydrophobicContact CD1-CD 3.93Å; L351-K355 VanDerWaalsContact CD1-CE 3.49Å; L351-K355 HydrophobicContact CD1-CG 4.25Å; L351-K355 HydrophobicContact CG-CD 4.28Å; L351-K355 VanDerWaalsContact O-CB 3.25Å; L351-K355 WeakPolarHBondContact O-CB 2.75Å; L351-K355 WeakPolarHBondContact O-CG 3.46Å; L351-K355 PolarHBondContact O-N 2.72Å; L351-S393 WeakPolarHBondContact CB-OG 3.38Å; L351-S393 WeakPolarHBondContact CD1-OG 3.33Å; L351-S393 PolarHBondContact N-O 2.92Å; L351-S393 VanDerWaalsContact N-O 3.11Å; L351-A394 HydrophobicContact CB-CB 4.49Å; L351-A394 HydrophobicContact CD2-CB 4.11Å
352D96.2Very high94.3Very high88 Ų8848.1 Ų48.147%0.47126%0.26SS..Hα-helixtrans-68.8-37-178.7-56.9-37.8000110.8S349 L354 K355 D356 G357S349-D352 PolarHBondContact O-N 3.39Å; S349-D352 PolarHBondContact OG-N 3.28Å; S349-D352 VanDerWaalsContact OG-N 3.09Å; S349-D352 PolarHBondContact OG-OD2 3.36Å; D352-L354 PolarHBondContact O-N 3.27Å; D352-K355 PolarHBondContact O-N 3.09Å; D352-D356 WeakPolarHBondContact O-CA 3.37Å; D352-D356 PolarHBondContact O-N 3.08Å; D352-G357 PolarHBondContact O-N 3.33Å; D352-G357 VanDerWaalsContact O-N 3.12Å
353F97.3Very high94.2Very high7 Ų754.5 Ų54.53%0.03129%0.285CS..Hα-helixtrans-61.5-42.8176.7179.8-103.2000112.3K347 S349 L350 L351 G357 E358 G359 L362 M370 V398 L402K347-F353 HydrophobicContact CB-CD2 4.09Å; K347-F353 HydrophobicContact CB-CE2 4.46Å; K347-F353 HydrophobicContact CD-CD2 4.26Å; K347-F353 HydrophobicContact CD-CE2 3.79Å; S349-F353 WeakPolarHBondContact O-CB 3.29Å; S349-F353 PolarHBondContact O-N 2.92Å; L350-F353 HydrophobicContact CD1-CD1 4.3Å; L350-F353 PolarHBondContact O-N 2.9Å; L351-F353 VanDerWaalsContact C-N 3.34Å; F353-G357 CarbonylContact O-C 3.56Å; F353-G357 VanDerWaalsContact O-CA 3.29Å; F353-G357 WeakPolarHBondContact O-CA 3.47Å; F353-G357 PolarHBondContact O-N 3.49Å; F353-E358 HydrophobicContact CE2-CB 3.79Å; F353-E358 HydrophobicContact CZ-CB 4.08Å; F353-G359 VanDerWaalsContact CE1-CA 3.47Å; F353-G359 WeakPolarHBondContact O-CA 3.29Å; F353-G359 PolarHBondContact O-N 2.59Å; F353-L362 HydrophobicContact CE1-CD1 3.69Å; F353-L362 HydrophobicContact CZ-CD1 4.27Å; F353-M370 HydrophobicContact CD1-CE 4.01Å; F353-M370 HydrophobicContact CE1-CE 3.91Å; F353-V398 HydrophobicContact CB-CG2 4.13Å; F353-V398 HydrophobicContact CD1-CG1 4.28Å; F353-V398 HydrophobicContact CD1-CG2 4.11Å; F353-V398 HydrophobicContact CD2-CG1 4.38Å; F353-V398 HydrophobicContact CE1-CG1 4.31Å; F353-V398 HydrophobicContact CE2-CG1 4.44Å; F353-V398 HydrophobicContact CG-CB 4.34Å; F353-V398 HydrophobicContact CG-CG1 4.3Å; F353-V398 HydrophobicContact CG-CG2 4.13Å; F353-V398 HydrophobicContact CZ-CG1 4.41Å; F353-L402 HydrophobicContact CE1-CD2 3.99Å; F353-L402 HydrophobicContact CZ-CD2 3.54Å
354L97.4Very high94.2Very high0 Ų056.5 Ų56.50%030%0.296CS..Hα-helixtrans-71.9-42.8175.5-70.7169.5000112L350 L351 D352 R360 L367 L459 K462L350-L354 HydrophobicContact CD1-CD1 3.9Å; L350-L354 HydrophobicContact CD1-CD2 4.36Å; L350-L354 HydrophobicContact CD1-CG 3.82Å; L350-L354 HydrophobicContact CG-CD1 3.82Å; L350-L354 HydrophobicContact CG-CG 4.23Å; L350-L354 WeakPolarHBondContact O-CB 3.37Å; L350-L354 WeakPolarHBondContact O-CG 3.32Å; L350-L354 PolarHBondContact O-N 2.78Å; L351-L354 PolarHBondContact O-N 3.27Å; D352-L354 PolarHBondContact O-N 3.27Å; L354-R360 VanDerWaalsContact O-CG 3.28Å; L354-R360 WeakPolarHBondContact O-CG 3.48Å; L354-L367 HydrophobicContact CD2-CD2 3.82Å; L354-L459 HydrophobicContact CD1-CD2 4.15Å; L354-L459 HydrophobicContact CD2-CD2 4.45Å; L354-K462 HydrophobicContact CD2-CD 4.48Å
355K94.6Very high93.9Very high70 Ų7056.8 Ų56.830%0.30431%0.305SS..Hα-helixtrans-76.9-39.8-173.6-83.6-171.3178.8173.50113.9L351 D352 R360 G463L351-K355 HydrophobicContact CD1-CD 3.93Å; L351-K355 VanDerWaalsContact CD1-CE 3.49Å; L351-K355 HydrophobicContact CD1-CG 4.25Å; L351-K355 HydrophobicContact CG-CD 4.28Å; L351-K355 VanDerWaalsContact O-CB 3.25Å; L351-K355 WeakPolarHBondContact O-CB 2.75Å; L351-K355 WeakPolarHBondContact O-CG 3.46Å; L351-K355 PolarHBondContact O-N 2.72Å; D352-K355 PolarHBondContact O-N 3.09Å; K355-R360 PolarHBondContact O-NE 3.43Å; K355-R360 PolarHBondContact O-NH2 3.32Å; K355-G463 WeakPolarHBondContact CE-O 3.22Å
356D91.1Very high93.7Very high116 Ų11659.3 Ų59.362%0.6232%0.319SS*.THydrogen-bonded Turntrans-134.8-8.4-166.8-64.2-44.4000113.3D352 R360D352-D356 WeakPolarHBondContact O-CA 3.37Å; D352-D356 PolarHBondContact O-N 3.08Å; D356-R360 IonicContact OD1-CZ 2.98Å; D356-R360 IonicContact OD1-NH2 3.13Å; D356-R360 PolarHBondContact OD1-NH2 3.39Å
357G91.1Very high93.8Very high31 Ų3156.3 Ų56.332%0.3230%0.303SS..SBendtrans-102.4-162179.900000115D352 F353 G359 R360D352-G357 PolarHBondContact O-N 3.33Å; D352-G357 VanDerWaalsContact O-N 3.12Å; F353-G357 CarbonylContact O-C 3.56Å; F353-G357 VanDerWaalsContact O-CA 3.29Å; F353-G357 WeakPolarHBondContact O-CA 3.47Å; F353-G357 PolarHBondContact O-N 3.49Å; G357-G359 PolarHBondContact O-N 3.11Å; G357-G359 VanDerWaalsContact O-N 3.14Å; G357-R360 PolarHBondContact O-N 3.46Å
358E91.6Very high93.8Very high126 Ų12654.1 Ų54.159%0.58929%0.294SS*.G310 helixtrans-61-19.9177-59.6161.7-147.500112.4K347 F353 R360 A361K347-E358 IonicContact NZ-OE1 3.65Å; K347-E358 PolarHBondContact NZ-OE1 3.09Å; K347-E358 IonicContact NZ-OE2 2.73Å; K347-E358 PolarHBondContact NZ-OE2 3.42Å; F353-E358 HydrophobicContact CE2-CB 3.79Å; F353-E358 HydrophobicContact CZ-CB 4.08Å; E358-R360 PolarHBondContact O-N 3.4Å; E358-A361 PolarHBondContact O-N 2.8Å
359G92.5Very high93.7Very high0 Ų054.4 Ų54.40%029%0.288CS..G310 helixtrans-60-23.717900000114.6F353 G357 A361 L362 K462F353-G359 VanDerWaalsContact CE1-CA 3.47Å; F353-G359 WeakPolarHBondContact O-CA 3.29Å; F353-G359 PolarHBondContact O-N 2.59Å; G357-G359 PolarHBondContact O-N 3.11Å; G357-G359 VanDerWaalsContact O-N 3.14Å; G359-A361 PolarHBondContact O-N 2.85Å; G359-L362 WeakPolarHBondContact O-CB 3.44Å; G359-L362 PolarHBondContact O-N 2.78Å; G359-K462 PolarHBondContact O-NZ 2.72Å
360R93.1Very high93.8Very high153 Ų15353.8 Ų53.858%0.57728%0.284SS*.G310 helixtrans-56-39.8174.8-72.7-173.9176.1176.36.9112.2L354 K355 D356 G357 E358L354-R360 VanDerWaalsContact O-CG 3.28Å; L354-R360 WeakPolarHBondContact O-CG 3.48Å; K355-R360 PolarHBondContact O-NE 3.43Å; K355-R360 PolarHBondContact O-NH2 3.32Å; D356-R360 IonicContact OD1-CZ 2.98Å; D356-R360 IonicContact OD1-NH2 3.13Å; D356-R360 PolarHBondContact OD1-NH2 3.39Å; G357-R360 PolarHBondContact O-N 3.46Å; E358-R360 PolarHBondContact O-N 3.4Å
361A93.8Very high93.8Very high88 Ų8853.9 Ų53.973%0.72728%0.284SS*.G310 helixtrans-86.6-6.3-175.700000113.8E358 G359 K363E358-A361 PolarHBondContact O-N 2.8Å; G359-A361 PolarHBondContact O-N 2.85Å; A361-K363 PolarHBondContact O-N 3.41Å
362L93.4Very high93.7Very high28 Ų2852.3 Ų52.315%0.14728%0.276CS..  trans-65.9131.6-177.3-69-176.6000112F353 G359 N366 L367 M370 L402 K462F353-L362 HydrophobicContact CE1-CD1 3.69Å; F353-L362 HydrophobicContact CZ-CD1 4.27Å; G359-L362 WeakPolarHBondContact O-CB 3.44Å; G359-L362 PolarHBondContact O-N 2.78Å; L362-N366 HydrophobicContact CB-CB 4.17Å; L362-N366 HydrophobicContact CD1-CB 4.22Å; L362-N366 HydrophobicContact CD2-CB 3.95Å; L362-N366 HydrophobicContact CG-CB 4.34Å; L362-L367 HydrophobicContact CB-CD2 4.09Å; L362-L367 HydrophobicContact CD1-CD2 4.42Å; L362-M370 HydrophobicContact CD1-SD 3.65Å; L362-L402 HydrophobicContact CD1-CD1 4.24Å; L362-L402 HydrophobicContact CD1-CD2 4.26Å; L362-L402 HydrophobicContact CD2-CD1 3.86Å; L362-L402 HydrophobicContact CD2-CD2 4.48Å; L362-K462 PolarHBondContact O-NZ 2.7Å
363K91.8Very high93.8Very high160 Ų16048.1 Ų48.170%0.69625%0.254SS*.  trans-79.9164.2171.2-60.8-177.7-178.9179.50111.3A361 P365 N366 L367A361-K363 PolarHBondContact O-N 3.41Å; K363-P365 VanDerWaalsContact C-CD 3.44Å; K363-P365 VanDerWaalsContact C-N 3.33Å; K363-N366 PolarHBondContact O-N 3.05Å; K363-L367 PolarHBondContact O-N 3.28Å
364L90.5Very high93.9Very high48 Ų4847.8 Ų47.825%0.25125%0.252SS..Hα-helixtrans-47-43.4-179.3179.871.8000114.5N366 L367 V368 P492 L495 F524L364-N366 VanDerWaalsContact C-N 3.29Å; L364-N366 PolarHBondContact O-N 2.77Å; L364-L367 PolarHBondContact O-N 2.89Å; L364-V368 HydrophobicContact CD1-CG2 3.97Å; L364-V368 HydrophobicContact CG-CG2 4.12Å; L364-V368 WeakPolarHBondContact O-CG2 3.5Å; L364-V368 PolarHBondContact O-N 3.1Å; L364-P492 HydrophobicContact CD1-CG 4.36Å; L364-P492 HydrophobicContact CD2-CG 3.37Å; L364-P492 HydrophobicContact CG-CG 4.49Å; L364-L495 HydrophobicContact CD1-CD2 4.25Å; L364-F524 HydrophobicContact CD2-CE1 4.48Å; L364-F524 HydrophobicContact CD2-CZ 4.2Å; L364-F524 HydrophobicContact CG-CZ 4.19Å
365P88.1Confident93.9Very high68 Ų6847.8 Ų47.844%0.44225%0.252SS..Hα-helixtrans-57-40.2179.3-27.636.7000114.1K363 D369 F524K363-P365 VanDerWaalsContact C-CD 3.44Å; K363-P365 VanDerWaalsContact C-N 3.33Å; P365-D369 WeakPolarHBondContact O-CB 3.47Å; P365-D369 PolarHBondContact O-N 3.06Å; P365-F524 HydrophobicContact CB-CE2 3.98Å; P365-F524 HydrophobicContact CB-CZ 4.2Å; P365-F524 HydrophobicContact CG-CE1 4.47Å; P365-F524 HydrophobicContact CG-CE2 4.27Å; P365-F524 HydrophobicContact CG-CZ 3.99Å
366N91.6Very high94.1Very high63 Ų6344.9 Ų44.934%0.33724%0.241SC..Hα-helixtrans-68.9-37176.6-60.7-63.7000111.5L362 K363 L364 D369 M370 L402L362-N366 HydrophobicContact CB-CB 4.17Å; L362-N366 HydrophobicContact CD1-CB 4.22Å; L362-N366 HydrophobicContact CD2-CB 3.95Å; L362-N366 HydrophobicContact CG-CB 4.34Å; K363-N366 PolarHBondContact O-N 3.05Å; L364-N366 VanDerWaalsContact C-N 3.29Å; L364-N366 PolarHBondContact O-N 2.77Å; N366-D369 PolarHBondContact O-N 3.38Å; N366-M370 WeakPolarHBondContact O-CG 3.11Å; N366-M370 PolarHBondContact O-N 2.59Å; N366-L402 HydrophobicContact CB-CD1 4.18Å
367L95.4Very high94.4Very high9 Ų939.4 Ų39.45%0.04721%0.212CC..Hα-helixtrans-67.9-40.9179.4-58.5175000111.7L354 L362 K363 L364 D369 M370 A371 L459L354-L367 HydrophobicContact CD2-CD2 3.82Å; L362-L367 HydrophobicContact CB-CD2 4.09Å; L362-L367 HydrophobicContact CD1-CD2 4.42Å; K363-L367 PolarHBondContact O-N 3.28Å; L364-L367 PolarHBondContact O-N 2.89Å; L367-D369 VanDerWaalsContact C-N 3.34Å; L367-M370 PolarHBondContact O-N 2.98Å; L367-A371 PolarHBondContact O-N 2.96Å; L367-L459 HydrophobicContact CD2-CD2 4.21Å
368V93.9Very high94.7Very high3 Ų337.9 Ų37.92%0.01820%0.197CC..Hα-helixtrans-64.8-40.8174.1172.90000110.4L364 A371 A372 L495 L520 Y523 F524L364-V368 HydrophobicContact CD1-CG2 3.97Å; L364-V368 HydrophobicContact CG-CG2 4.12Å; L364-V368 WeakPolarHBondContact O-CG2 3.5Å; L364-V368 PolarHBondContact O-N 3.1Å; V368-A371 WeakPolarHBondContact O-CB 3.37Å; V368-A371 PolarHBondContact O-N 3.16Å; V368-A372 PolarHBondContact O-N 3.11Å; V368-L495 HydrophobicContact CG2-CD2 4.39Å; V368-L520 HydrophobicContact CG1-CD2 4.13Å; V368-L520 WeakPolarHBondContact CG1-O 3.29Å; V368-Y523 HydrophobicContact CG1-CD1 3.97Å; V368-Y523 HydrophobicContact CG1-CG 3.95Å; V368-Y523 HydrophobicContact CG2-CD1 4.01Å; V368-Y523 HydrophobicContact CG2-CE1 4.16Å; V368-F524 HydrophobicContact CB-CE2 3.92Å; V368-F524 HydrophobicContact CG1-CE2 4.04Å; V368-F524 HydrophobicContact CG2-CE2 4.06Å; V368-F524 HydrophobicContact CG2-CZ 4.18Å
369D93.1Very high95Very high38 Ų3831.9 Ų31.920%0.20317%0.169CC..Hα-helixtrans-61.4-45.7174.9-174.869.2000112.4R161 P365 N366 L367 A371 A372 Q373R161-D369 IonicContact CZ-OD1 2.87Å; R161-D369 IonicContact CZ-OD2 3.54Å; R161-D369 IonicContact NE-OD1 2.69Å; R161-D369 PolarHBondContact NE-OD1 2.88Å; R161-D369 IonicContact NE-OD2 3.31Å; R161-D369 PolarHBondContact NE-OD2 3.28Å; R161-D369 IonicContact NH2-OD1 3.7Å; R161-D369 PolarHBondContact NH2-OD1 2.93Å; R161-D369 IonicContact NH2-OD2 2.76Å; P365-D369 WeakPolarHBondContact O-CB 3.47Å; P365-D369 PolarHBondContact O-N 3.06Å; N366-D369 PolarHBondContact O-N 3.38Å; L367-D369 VanDerWaalsContact C-N 3.34Å; D369-A371 VanDerWaalsContact C-N 3.3Å; D369-A371 PolarHBondContact O-N 2.97Å; D369-A372 WeakPolarHBondContact O-CB 3.4Å; D369-A372 PolarHBondContact O-N 2.8Å; D369-A372 VanDerWaalsContact O-N 3.16Å; D369-Q373 WeakPolarHBondContact O-CG 3.39Å; D369-Q373 PolarHBondContact O-N 3.37Å; D369-Q373 PolarHBondContact OD2-NE2 3.34Å
370M97.5Very high95.2Very high0 Ų033.5 Ų33.50%018%0.175CC..Hα-helixtrans-60.4-40.1174.7-67.3173.388.500111.5L350 F353 L362 N366 L367 Q373 V374 V398 C404 L459L350-M370 HydrophobicContact CD1-CE 3.21Å; L350-M370 HydrophobicContact CD1-SD 4.38Å; F353-M370 HydrophobicContact CD1-CE 4.01Å; F353-M370 HydrophobicContact CE1-CE 3.91Å; L362-M370 HydrophobicContact CD1-SD 3.65Å; N366-M370 WeakPolarHBondContact O-CG 3.11Å; N366-M370 PolarHBondContact O-N 2.59Å; L367-M370 PolarHBondContact O-N 2.98Å; M370-Q373 PolarHBondContact O-N 3.44Å; M370-V374 WeakPolarHBondContact O-CG2 3.47Å; M370-V374 PolarHBondContact O-N 3.33Å; M370-V374 VanDerWaalsContact O-N 3.12Å; M370-V398 HydrophobicContact CE-CG1 4.33Å; M370-V398 HydrophobicContact CE-CG2 4Å; M370-C404 WeakPolarHBondContact CE-SG 3.28Å; M370-L459 HydrophobicContact CB-CD2 4.18Å
371A98.2Very high95.3Very high1 Ų126.2 Ų26.21%0.00815%0.147CC..Hα-helixtrans-62-43.9173.300000112.3L367 V368 D369 Q373 V374 A375 F452 L456 L459 L520L367-A371 PolarHBondContact O-N 2.96Å; V368-A371 WeakPolarHBondContact O-CB 3.37Å; V368-A371 PolarHBondContact O-N 3.16Å; D369-A371 VanDerWaalsContact C-N 3.3Å; D369-A371 PolarHBondContact O-N 2.97Å; A371-Q373 VanDerWaalsContact C-N 3.31Å; A371-Q373 PolarHBondContact O-N 3.41Å; A371-V374 PolarHBondContact O-N 2.9Å; A371-A375 WeakPolarHBondContact O-CB 3.35Å; A371-A375 PolarHBondContact O-N 3.1Å; A371-F452 HydrophobicContact CB-CZ 4.46Å; A371-L456 HydrophobicContact CB-CD2 3.52Å; A371-L459 HydrophobicContact CB-CD1 3.71Å; A371-L520 HydrophobicContact CB-CD1 3.85Å; A371-L520 HydrophobicContact CB-CD2 4.28Å
372A96.6Very high95.4Very high1 Ų123.7 Ų23.71%0.00812%0.12CC..Hα-helixtrans-60.8-41.2177.500000111.5V368 D369 A375 A376 L520 E521V368-A372 PolarHBondContact O-N 3.11Å; D369-A372 WeakPolarHBondContact O-CB 3.4Å; D369-A372 PolarHBondContact O-N 2.8Å; D369-A372 VanDerWaalsContact O-N 3.16Å; A372-A375 PolarHBondContact O-N 3.25Å; A372-A376 WeakPolarHBondContact O-CB 3.34Å; A372-A376 PolarHBondContact O-N 3.07Å; A372-L520 HydrophobicContact CB-CB 3.78Å; A372-E521 HydrophobicContact CB-CG 4Å
373Q97.6Very high95.6Very high1 Ų128.8 Ų28.81%0.00514%0.138CC..Hα-helixtrans-61.9-43.2175.2-68.2-176.558.200112.4K325 D369 M370 A371 A376 G377 L402 I403 C404K325-Q373 WeakPolarHBondContact CB-O 3.43Å; K325-Q373 HydrophobicContact CD-CB 4.02Å; K325-Q373 HydrophobicContact CD-CG 4.29Å; K325-Q373 WeakPolarHBondContact CG-O 3.35Å; D369-Q373 WeakPolarHBondContact O-CG 3.39Å; D369-Q373 PolarHBondContact O-N 3.37Å; D369-Q373 PolarHBondContact OD2-NE2 3.34Å; M370-Q373 PolarHBondContact O-N 3.44Å; A371-Q373 VanDerWaalsContact C-N 3.31Å; A371-Q373 PolarHBondContact O-N 3.41Å; Q373-A376 PolarHBondContact O-N 3.32Å; Q373-G377 PolarHBondContact O-N 2.9Å; Q373-L402 PolarHBondContact NE2-O 2.89Å; Q373-L402 VanDerWaalsContact NE2-O 3.09Å; Q373-I403 VanDerWaalsContact OE1-CA 3.3Å; Q373-C404 HydrophobicContact CB-CB 4.08Å
374V98.6Very high95.7Very high0 Ų024.8 Ų24.80%012%0.123CC..Hα-helixtrans-66.1-42.8175.11760000110.8M370 A371 A376 G377 M378 L391 I396 C404 I406 F452 L455M370-V374 WeakPolarHBondContact O-CG2 3.47Å; M370-V374 PolarHBondContact O-N 3.33Å; M370-V374 VanDerWaalsContact O-N 3.12Å; A371-V374 PolarHBondContact O-N 2.9Å; V374-A376 VanDerWaalsContact C-N 3.32Å; V374-A376 PolarHBondContact O-N 3.47Å; V374-G377 PolarHBondContact O-N 2.95Å; V374-M378 PolarHBondContact O-N 3.04Å; V374-L391 HydrophobicContact CG1-CD1 4.27Å; V374-I396 HydrophobicContact CG1-CD1 3.93Å; V374-I396 HydrophobicContact CG2-CD1 3.97Å; V374-I396 HydrophobicContact CG2-CG1 4.05Å; V374-I396 HydrophobicContact CG2-CG2 3.87Å; V374-C404 HydrophobicContact CG2-CB 4.19Å; V374-I406 HydrophobicContact CG1-CD1 4.34Å; V374-I406 HydrophobicContact CG1-CG1 4.29Å; V374-F452 HydrophobicContact CB-CE2 4.11Å; V374-F452 HydrophobicContact CG1-CD2 4.03Å; V374-F452 HydrophobicContact CG1-CE2 3.86Å; V374-L455 HydrophobicContact CG1-CD1 4.22Å
375A98.5Very high95.8Very high0 Ų029.9 Ų29.90%015%0.15CC..Hα-helixtrans-60-41176.200000111.8A371 A372 G377 M378 A379 F452 L516 Q517 L520A371-A375 WeakPolarHBondContact O-CB 3.35Å; A371-A375 PolarHBondContact O-N 3.1Å; A372-A375 PolarHBondContact O-N 3.25Å; A375-G377 PolarHBondContact O-N 3.26Å; A375-M378 PolarHBondContact O-N 3.12Å; A375-A379 WeakPolarHBondContact O-CB 3.44Å; A375-A379 PolarHBondContact O-N 3.19Å; A375-F452 HydrophobicContact CB-CE2 4.11Å; A375-F452 HydrophobicContact CB-CZ 3.81Å; A375-L516 HydrophobicContact CB-CB 4.38Å; A375-Q517 HydrophobicContact CB-CB 4.05Å; A375-L520 HydrophobicContact CB-CD1 4.15Å
376A97.1Very high96Very high9 Ų927.7 Ų27.77%0.07413%0.133CC..Hα-helixtrans-61.7-41.3175.300000112.5K325 A372 Q373 V374 A379 Y380 Q517K325-A376 HydrophobicContact CG-CB 4.34Å; A372-A376 WeakPolarHBondContact O-CB 3.34Å; A372-A376 PolarHBondContact O-N 3.07Å; Q373-A376 PolarHBondContact O-N 3.32Å; V374-A376 VanDerWaalsContact C-N 3.32Å; V374-A376 PolarHBondContact O-N 3.47Å; A376-A379 PolarHBondContact O-N 3.14Å; A376-Y380 PolarHBondContact O-N 3.47Å; A376-Y380 VanDerWaalsContact O-N 3.14Å; A376-Q517 HydrophobicContact CB-CG 4.05Å
377G97.7Very high96Very high0 Ų026.8 Ų26.80%013%0.128CC..Hα-helixtrans-63.6-42.5173.700000112.8Q373 V374 A375 Y380 I381Q373-G377 PolarHBondContact O-N 2.9Å; V374-G377 PolarHBondContact O-N 2.95Å; A375-G377 PolarHBondContact O-N 3.26Å; G377-Y380 WeakPolarHBondContact O-CB 3.5Å; G377-Y380 PolarHBondContact O-N 3.26Å; G377-I381 PolarHBondContact O-N 3.1Å; G377-I381 VanDerWaalsContact O-N 3.07Å
378M98.4Very high95.9Very high0 Ų026.3 Ų26.30%013%0.125CC..Hα-helixtrans-71.4-32.2177.1-72.4-57.2-56.300113.1V374 A375 Y380 I381 E382 H388 L391 I406 I445 D448 F513V374-M378 PolarHBondContact O-N 3.04Å; A375-M378 PolarHBondContact O-N 3.12Å; M378-Y380 VanDerWaalsContact C-N 3.27Å; M378-Y380 PolarHBondContact O-N 3.39Å; M378-I381 HydrophobicContact CE-CG2 4.15Å; M378-I381 WeakPolarHBondContact O-CB 3.25Å; M378-I381 PolarHBondContact O-N 3.41Å; M378-I381 HydrophobicContact SD-CD1 3.78Å; M378-E382 WeakPolarHBondContact O-CB 3.44Å; M378-E382 PolarHBondContact O-N 3.49Å; M378-H388 HydrophobicContact CE-CB 3.95Å; M378-H388 HydrophobicContact SD-CB 4.11Å; M378-L391 HydrophobicContact CE-CD2 4.26Å; M378-L391 HydrophobicContact CG-CD1 4.31Å; M378-L391 HydrophobicContact CG-CD2 3.82Å; M378-L391 HydrophobicContact SD-CD1 3.97Å; M378-L391 HydrophobicContact SD-CD2 3.92Å; M378-L391 HydrophobicContact SD-CG 4.48Å; M378-I406 HydrophobicContact CB-CD1 4.48Å; M378-I406 HydrophobicContact CG-CD1 3.67Å; M378-I406 HydrophobicContact SD-CD1 3.76Å; M378-I445 HydrophobicContact CE-CD1 3.9Å; M378-D448 HydrophobicContact CE-CB 3.6Å; M378-F513 HydrophobicContact CB-CB 4.19Å; M378-F513 HydrophobicContact CB-CD1 3.28Å; M378-F513 HydrophobicContact CB-CD2 3.75Å; M378-F513 HydrophobicContact CB-CE1 3.37Å; M378-F513 HydrophobicContact CB-CE2 3.83Å; M378-F513 HydrophobicContact CB-CG 3.47Å; M378-F513 VanDerWaalsContact CB-CG 3.47Å; M378-F513 HydrophobicContact CB-CZ 3.64Å; M378-F513 HydrophobicContact CE-CD2 4.27Å; M378-F513 HydrophobicContact CE-CE2 3.53Å; M378-F513 HydrophobicContact CE-CZ 3.67Å; M378-F513 HydrophobicContact CG-CD1 4.12Å; M378-F513 HydrophobicContact CG-CE1 3.68Å; M378-F513 HydrophobicContact CG-CE2 4.3Å; M378-F513 HydrophobicContact CG-CZ 3.78Å
379A98Very high95.9Very high0 Ų029.2 Ų29.20%014%0.136CC..Hα-helixtrans-64.8-35.1172.800000111A375 A376 R383 F513A375-A379 WeakPolarHBondContact O-CB 3.44Å; A375-A379 PolarHBondContact O-N 3.19Å; A376-A379 PolarHBondContact O-N 3.14Å; A379-R383 WeakPolarHBondContact O-CG 3.4Å; A379-R383 PolarHBondContact O-N 3.42Å; A379-R383 VanDerWaalsContact O-N 3.08Å; A379-R383 PolarHBondContact O-NH1 3.16Å; A379-F513 HydrophobicContact CB-CB 3.9Å
380Y96.9Very high95.8Very high33 Ų3328.1 Ų28.113%0.12913%0.13CC..Hα-helixtrans-65.6-46.9169.8174.9-94.6000111.9K320 L321 K322 H323 L326 A376 G377 M378 E382 R383 M384K320-Y380 PolarHBondContact O-OH 3.18Å; L321-Y380 HydrophobicContact CB-CE1 4.16Å; L321-Y380 HydrophobicContact CD2-CE1 4.08Å; K322-Y380 PolarHBondContact N-OH 3.28Å; K322-Y380 VanDerWaalsContact N-OH 3.09Å; K322-Y380 PolarHBondContact O-OH 3.06Å; H323-Y380 HydrophobicContact CB-CD1 3.62Å; H323-Y380 HydrophobicContact CB-CD2 4.1Å; H323-Y380 HydrophobicContact CB-CE1 3.85Å; H323-Y380 HydrophobicContact CB-CE2 4.32Å; H323-Y380 HydrophobicContact CB-CG 3.74Å; H323-Y380 AromaticContact CD2-CD2 3.8Å; H323-Y380 AromaticContact CD2-CG 3.75Å; H323-Y380 AromaticContact CG-CG 3.77Å; L326-Y380 HydrophobicContact CD1-CD1 3.66Å; L326-Y380 HydrophobicContact CD1-CE1 3.79Å; L326-Y380 HydrophobicContact CG-CD1 4.48Å; A376-Y380 PolarHBondContact O-N 3.47Å; A376-Y380 VanDerWaalsContact O-N 3.14Å; G377-Y380 WeakPolarHBondContact O-CB 3.5Å; G377-Y380 PolarHBondContact O-N 3.26Å; M378-Y380 VanDerWaalsContact C-N 3.27Å; M378-Y380 PolarHBondContact O-N 3.39Å; Y380-E382 VanDerWaalsContact C-N 3.29Å; Y380-E382 PolarHBondContact O-N 3.28Å; Y380-R383 PolarHBondContact O-N 3.46Å; Y380-M384 HydrophobicContact CD1-CG 4.25Å; Y380-M384 HydrophobicContact CD2-CG 4.42Å; Y380-M384 HydrophobicContact CE1-CG 3.81Å; Y380-M384 HydrophobicContact CE2-CG 3.99Å; Y380-M384 HydrophobicContact CE2-SD 4.21Å; Y380-M384 WeakPolarHBondContact O-CG 3.36Å; Y380-M384 PolarHBondContact O-N 2.92Å
381I95.5Very high95.8Very high0 Ų028.1 Ų28.10%013%0.13CC..Hα-helixtrans-56.3-43.5175-75.1172.6000111.4L326 G377 M378 M384 N385 Y386 I406 F409 I445L326-I381 HydrophobicContact CD1-CG1 4.25Å; L326-I381 HydrophobicContact CD2-CD1 3.75Å; L326-I381 HydrophobicContact CD2-CG1 4.16Å; G377-I381 PolarHBondContact O-N 3.1Å; G377-I381 VanDerWaalsContact O-N 3.07Å; M378-I381 HydrophobicContact CE-CG2 4.15Å; M378-I381 WeakPolarHBondContact O-CB 3.25Å; M378-I381 PolarHBondContact O-N 3.41Å; M378-I381 HydrophobicContact SD-CD1 3.78Å; I381-M384 CarbonylContact O-C 3.51Å; I381-M384 PolarHBondContact O-N 3.06Å; I381-N385 PolarHBondContact O-N 3.06Å; I381-Y386 HydrophobicContact CG2-CD1 4.24Å; I381-Y386 VanDerWaalsContact CG2-O 3.27Å; I381-Y386 WeakPolarHBondContact CG2-O 3.43Å; I381-Y386 PolarHBondContact O-N 3.04Å; I381-I406 HydrophobicContact CD1-CD1 4.42Å; I381-F409 HydrophobicContact CD1-CB 4.47Å; I381-I445 HydrophobicContact CG2-CD1 4.19Å
382E95.9Very high95.7Very high35 Ų3530.9 Ų30.916%0.16414%0.14CC..Hα-helixtrans-58.2-49.9175.4179171.6-121.100111.5M378 Y380 M384 N385 I445 F513 E514M378-E382 WeakPolarHBondContact O-CB 3.44Å; M378-E382 PolarHBondContact O-N 3.49Å; Y380-E382 VanDerWaalsContact C-N 3.29Å; Y380-E382 PolarHBondContact O-N 3.28Å; E382-M384 PolarHBondContact O-N 2.77Å; E382-N385 WeakPolarHBondContact O-CA 3.08Å; E382-N385 PolarHBondContact O-N 3.39Å; E382-I445 HydrophobicContact CB-CD1 4Å; E382-I445 HydrophobicContact CB-CG1 3.85Å; E382-I445 HydrophobicContact CG-CG1 3.95Å; E382-F513 PolarHBondContact OE1-N 3.49Å; E382-F513 PolarHBondContact OE2-N 2.82Å; E382-E514 PolarHBondContact OE2-N 3.16Å
383R96.6Very high95.7Very high136 Ų13630.9 Ų30.951%0.51314%0.14SC..Hα-helixtrans-62.4-31.1177.2-72.5-171.2-57.6-90.63.5113.4A379 Y380 N385A379-R383 WeakPolarHBondContact O-CG 3.4Å; A379-R383 PolarHBondContact O-N 3.42Å; A379-R383 VanDerWaalsContact O-N 3.08Å; A379-R383 PolarHBondContact O-NH1 3.16Å; Y380-R383 PolarHBondContact O-N 3.46Å; R383-N385 PolarHBondContact O-N 3.08Å
384M93.9Very high95.6Very high76 Ų7632.1 Ų32.137%0.37415%0.15SC..THydrogen-bonded Turntrans-80.74.1176-63.3-56.6-66.200112.8L321 Y380 I381 E382 Y386L321-M384 HydrophobicContact CD2-CB 3.67Å; L321-M384 HydrophobicContact CD2-CE 4.32Å; L321-M384 HydrophobicContact CD2-CG 3.79Å; Y380-M384 HydrophobicContact CD1-CG 4.25Å; Y380-M384 HydrophobicContact CD2-CG 4.42Å; Y380-M384 HydrophobicContact CE1-CG 3.81Å; Y380-M384 HydrophobicContact CE2-CG 3.99Å; Y380-M384 HydrophobicContact CE2-SD 4.21Å; Y380-M384 WeakPolarHBondContact O-CG 3.36Å; Y380-M384 PolarHBondContact O-N 2.92Å; I381-M384 CarbonylContact O-C 3.51Å; I381-M384 PolarHBondContact O-N 3.06Å; E382-M384 PolarHBondContact O-N 2.77Å; M384-Y386 PolarHBondContact O-N 3.47Å
385N92.1Very high95.5Very high154 Ų15432.6 Ų32.682%0.82415%0.153SC*.THydrogen-bonded Turntrans54.238.4-176.4-61.5-70.8000112.9I381 E382 R383I381-N385 PolarHBondContact O-N 3.06Å; E382-N385 WeakPolarHBondContact O-CA 3.08Å; E382-N385 PolarHBondContact O-N 3.39Å; R383-N385 PolarHBondContact O-N 3.08Å
386Y92.2Very high95.5Very high22 Ų2232.6 Ų32.69%0.08615%0.153CC..  trans-111.3161.5-178-163.6-101.4000111.1E314 I317 L321 I381 M384 F409 G410E314-Y386 WeakPolarHBondContact OE1-CE2 3.43Å; E314-Y386 VanDerWaalsContact OE1-CZ 3.3Å; E314-Y386 PolarHBondContact OE1-OH 2.73Å; I317-Y386 HydrophobicContact CB-CE2 4.48Å; I317-Y386 HydrophobicContact CG2-CD2 3.83Å; I317-Y386 HydrophobicContact CG2-CE2 3.51Å; L321-Y386 HydrophobicContact CD1-CD1 3.71Å; L321-Y386 HydrophobicContact CD1-CD2 4.38Å; L321-Y386 HydrophobicContact CD1-CE1 3.86Å; L321-Y386 HydrophobicContact CD1-CG 3.96Å; I381-Y386 HydrophobicContact CG2-CD1 4.24Å; I381-Y386 VanDerWaalsContact CG2-O 3.27Å; I381-Y386 WeakPolarHBondContact CG2-O 3.43Å; I381-Y386 PolarHBondContact O-N 3.04Å; M384-Y386 PolarHBondContact O-N 3.47Å; Y386-F409 HydrophobicContact CE1-CB 4.39Å; Y386-F409 HydrophobicContact CE1-CD2 4.23Å; Y386-G410 WeakPolarHBondContact OH-CA 3.33Å
387I92.8Very high95.5Very high44 Ų4433.9 Ų33.923%0.22616%0.158CC..  trans-131.3127.4-175.3-52.7165.6000108.6R389 F443 D448I387-R389 HydrophobicContact CB-CG 4.33Å; I387-R389 HydrophobicContact CG2-CG 3.67Å; I387-F443 HydrophobicContact CG2-CB 4.41Å; I387-D448 WeakPolarHBondContact CG2-OD2 3.48Å
388H93.5Very high95.5Very high0 Ų033.9 Ų33.90%016%0.158CC..  trans-75.1-46.1-178.1-171.7-71.2000112.7M378 D390 L391 I406 A407 D448M378-H388 HydrophobicContact CE-CB 3.95Å; M378-H388 HydrophobicContact SD-CB 4.11Å; H388-D390 PolarHBondContact CE1-O 3.21Å; H388-D390 PolarHBondContact ND1-N 2.98Å; H388-D390 PolarHBondContact ND1-O 3.25Å; H388-D390 PolarHBondContact O-N 3.05Å; H388-L391 PolarHBondContact ND1-N 3.29Å; H388-L391 VanDerWaalsContact ND1-N 3.16Å; H388-I406 WeakPolarHBondContact CD2-CG2 3.4Å; H388-I406 WeakPolarHBondContact NE2-CG2 3.47Å; H388-A407 PolarHBondContact NE2-O 3.07Å; H388-A407 VanDerWaalsContact NE2-O 3.07Å; H388-D448 WeakPolarHBondContact CB-OD2 3.32Å; H388-D448 PolarHBondContact N-OD2 3.19Å
389R92.5Very high95.2Very high63 Ų6333.9 Ų33.924%0.23816%0.158CC..SBendtrans71.8-26.2178.8-50.6-178.2179-160.3-1.4117.2I387 A412 F443 D448I387-R389 HydrophobicContact CB-CG 4.33Å; I387-R389 HydrophobicContact CG2-CG 3.67Å; R389-A412 HydrophobicContact CB-CB 4.32Å; R389-F443 HydrophobicContact CB-CD1 4.02Å; R389-F443 HydrophobicContact CB-CE1 4.4Å; R389-F443 HydrophobicContact CG-CB 4.19Å; R389-F443 HydrophobicContact CG-CD1 4.06Å; R389-F443 HydrophobicContact CG-CG 4.25Å; R389-D448 WeakPolarHBondContact CA-OD1 3.27Å; R389-D448 PolarHBondContact N-OD1 3.34Å
390D92.1Very high94.7Very high15 Ų1538.9 Ų38.98%0.0819%0.185CC..  trans-12950.3176.3-169.316.6000113.1H388 R392 N395 A412 P429H388-D390 PolarHBondContact CE1-O 3.21Å; H388-D390 PolarHBondContact ND1-N 2.98Å; H388-D390 PolarHBondContact ND1-O 3.25Å; H388-D390 PolarHBondContact O-N 3.05Å; D390-R392 PolarHBondContact O-N 3.46Å; D390-R392 WeakPolarHBondContact OD1-CD 3.41Å; D390-R392 IonicContact OD1-CZ 3.72Å; D390-R392 IonicContact OD1-NE 3.13Å; D390-R392 PolarHBondContact OD1-NE 3.45Å; D390-R392 IonicContact OD1-NH2 3.83Å; D390-R392 IonicContact OD2-CZ 3.09Å; D390-R392 IonicContact OD2-NE 2.69Å; D390-R392 PolarHBondContact OD2-NE 3.5Å; D390-R392 IonicContact OD2-NH2 2.75Å; D390-R392 PolarHBondContact OD2-NH2 2.99Å; D390-N395 PolarHBondContact O-ND2 2.6Å; D390-N395 PolarHBondContact OD2-ND2 2.87Å; D390-A412 HydrophobicContact CB-CB 4.39Å; D390-P429 WeakPolarHBondContact OD1-CG 3.31Å
391L96.8Very high94.2Very high0 Ų040.1 Ų40.10%021%0.208CC..  trans-78.8114.4-177.5-176.969000111.1V374 M378 H388 I396 I406 S451 F452 L455 F513V374-L391 HydrophobicContact CG1-CD1 4.27Å; M378-L391 HydrophobicContact CE-CD2 4.26Å; M378-L391 HydrophobicContact CG-CD1 4.31Å; M378-L391 HydrophobicContact CG-CD2 3.82Å; M378-L391 HydrophobicContact SD-CD1 3.97Å; M378-L391 HydrophobicContact SD-CD2 3.92Å; M378-L391 HydrophobicContact SD-CG 4.48Å; H388-L391 PolarHBondContact ND1-N 3.29Å; H388-L391 VanDerWaalsContact ND1-N 3.16Å; L391-I396 HydrophobicContact CD1-CD1 3.91Å; L391-I406 HydrophobicContact CD1-CG2 4.32Å; L391-S451 WeakPolarHBondContact O-CB 3.34Å; L391-F452 HydrophobicContact CD2-CB 3.84Å; L391-F452 HydrophobicContact CD2-CD2 4.22Å; L391-L455 HydrophobicContact CD1-CD1 4.42Å; L391-L455 HydrophobicContact CG-CD1 4.36Å; L391-F513 HydrophobicContact CD2-CZ 4.22Å
392R96.9Very high94Very high60 Ų6041.6 Ų41.623%0.22622%0.216CC..SBendtrans-162.8165.2179.353.8-177.7167.7122.35.4111.2D390 A394 N395 I396 W432D390-R392 PolarHBondContact O-N 3.46Å; D390-R392 WeakPolarHBondContact OD1-CD 3.41Å; D390-R392 IonicContact OD1-CZ 3.72Å; D390-R392 IonicContact OD1-NE 3.13Å; D390-R392 PolarHBondContact OD1-NE 3.45Å; D390-R392 IonicContact OD1-NH2 3.83Å; D390-R392 IonicContact OD2-CZ 3.09Å; D390-R392 IonicContact OD2-NE 2.69Å; D390-R392 PolarHBondContact OD2-NE 3.5Å; D390-R392 IonicContact OD2-NH2 2.75Å; D390-R392 PolarHBondContact OD2-NH2 2.99Å; R392-A394 HydrophobicContact CG-CB 4.27Å; R392-A394 PolarHBondContact O-N 2.86Å; R392-A394 VanDerWaalsContact O-N 3.09Å; R392-N395 PolarHBondContact O-N 2.62Å; R392-I396 PolarHBondContact O-N 3.17Å; R392-W432 HydrophobicContact CB-CD2 4.18Å; R392-W432 HydrophobicContact CB-CG 3.88Å
393S97.4Very high93.9Very high0 Ų041.7 Ų41.70%022%0.217CC..G310 helixtrans-59.1-25.3-177.472.80000114.2L350 L351 N395 I396 E458L350-S393 WeakPolarHBondContact CB-O 3.4Å; L350-S393 PolarHBondContact N-O 2.95Å; L351-S393 WeakPolarHBondContact CB-OG 3.38Å; L351-S393 WeakPolarHBondContact CD1-OG 3.33Å; L351-S393 PolarHBondContact N-O 2.92Å; L351-S393 VanDerWaalsContact N-O 3.11Å; S393-N395 VanDerWaalsContact C-N 3.26Å; S393-N395 PolarHBondContact O-N 2.92Å; S393-I396 PolarHBondContact O-N 2.81Å; S393-E458 WeakPolarHBondContact CB-OE1 3.49Å; S393-E458 WeakPolarHBondContact CB-OE2 3.47Å; S393-E458 PolarHBondContact N-OE2 3.07Å; S393-E458 PolarHBondContact OG-OE1 2.74Å; S393-E458 PolarHBondContact OG-OE2 2.99Å
394A94.8Very high94Very high27 Ų2735.2 Ų35.222%0.22319%0.192CC..G310 helixtrans-66.4-26.2173.700000113.5L351 R392L351-A394 HydrophobicContact CB-CB 4.49Å; L351-A394 HydrophobicContact CD2-CB 4.11Å; R392-A394 HydrophobicContact CG-CB 4.27Å; R392-A394 PolarHBondContact O-N 2.86Å; R392-A394 VanDerWaalsContact O-N 3.09Å
395N95.7Very high94.2Very high10 Ų1032.1 Ų32.15%0.05318%0.177CC..G310 helixtrans-104.912.7-179.2-66-16.2000112.3D390 R392 S393 A407D390-N395 PolarHBondContact O-ND2 2.6Å; D390-N395 PolarHBondContact OD2-ND2 2.87Å; R392-N395 PolarHBondContact O-N 2.62Å; S393-N395 VanDerWaalsContact C-N 3.26Å; S393-N395 PolarHBondContact O-N 2.92Å; N395-A407 WeakPolarHBondContact O-CB 3.01Å; N395-A407 PolarHBondContact O-N 3.01Å
396I98.2Very high94.4Very high0 Ų024.8 Ų24.80%014%0.138CC..EExtended strand (participates in β ladder)trans-104.3131.4166.3-53.5-52.8000107.5S349 L350 V374 L391 R392 S393 C404 K405 I406 L455S349-I396 CarbonylContact C-O 3.58Å; S349-I396 VanDerWaalsContact CA-O 3.29Å; S349-I396 WeakPolarHBondContact CA-O 3.47Å; L350-I396 HydrophobicContact CB-CB 3.76Å; L350-I396 HydrophobicContact CB-CG2 4.03Å; L350-I396 HydrophobicContact CD2-CB 4Å; L350-I396 HydrophobicContact CD2-CG1 4.27Å; L350-I396 HydrophobicContact CD2-CG2 3.99Å; L350-I396 PolarHBondContact N-O 2.87Å; V374-I396 HydrophobicContact CG1-CD1 3.93Å; V374-I396 HydrophobicContact CG2-CD1 3.97Å; V374-I396 HydrophobicContact CG2-CG1 4.05Å; V374-I396 HydrophobicContact CG2-CG2 3.87Å; L391-I396 HydrophobicContact CD1-CD1 3.91Å; R392-I396 PolarHBondContact O-N 3.17Å; S393-I396 PolarHBondContact O-N 2.81Å; I396-C404 HydrophobicContact CG2-CB 3.92Å; I396-K405 CarbonylContact C-O 3.53Å; I396-K405 WeakPolarHBondContact CA-O 3.38Å; I396-I406 HydrophobicContact CD1-CB 4.21Å; I396-I406 HydrophobicContact CD1-CG1 3.79Å; I396-I406 HydrophobicContact CD1-CG2 4.28Å; I396-L455 HydrophobicContact CD1-CD1 4.21Å; I396-L455 HydrophobicContact CG1-CD1 3.73Å
397L97.8Very high94.5Very high36 Ų3624.1 Ų24.119%0.18814%0.137CC..EExtended strand (participates in β ladder)trans-105.1144.1175.7-58.4-175.5000111.1V327 M345 G348 C404 K405 A407V327-L397 HydrophobicContact CG2-CB 4.42Å; V327-L397 HydrophobicContact CG2-CD1 3.86Å; V327-L397 HydrophobicContact CG2-CG 4.29Å; M345-L397 HydrophobicContact CB-CB 3.65Å; M345-L397 HydrophobicContact CB-CD1 3.94Å; M345-L397 HydrophobicContact CB-CG 4.39Å; M345-L397 HydrophobicContact CE-CB 4.18Å; M345-L397 WeakPolarHBondContact CE-O 3.39Å; M345-L397 HydrophobicContact CG-CB 3.7Å; M345-L397 HydrophobicContact CG-CD1 3.88Å; M345-L397 HydrophobicContact CG-CG 4.46Å; G348-L397 CarbonylContact O-C 3.53Å; G348-L397 WeakPolarHBondContact O-CA 3.36Å; L397-C404 WeakPolarHBondContact O-CA 3.5Å; L397-K405 PolarHBondContact N-O 3.17Å; L397-K405 PolarHBondContact O-N 2.86Å; L397-A407 HydrophobicContact CD1-CB 4.05Å; L397-A407 HydrophobicContact CG-CB 3.92Å
398V97.2Very high94.2Very high0 Ų024.5 Ų24.50%014%0.14CC..EExtended strand (participates in β ladder)trans-110.4133.6-178.6-171.80000110.2K347 G348 L350 F353 M370 I403K347-V398 WeakPolarHBondContact CA-O 3.35Å; K347-V398 HydrophobicContact CB-CB 3.95Å; K347-V398 HydrophobicContact CB-CG1 4.07Å; K347-V398 VanDerWaalsContact CB-O 3.3Å; K347-V398 WeakPolarHBondContact CB-O 3.49Å; K347-V398 HydrophobicContact CD-CG1 4.08Å; K347-V398 PolarHBondContact N-O 2.78Å; G348-V398 PolarHBondContact O-N 2.96Å; L350-V398 HydrophobicContact CB-CG2 4.02Å; L350-V398 HydrophobicContact CD1-CG2 3.91Å; F353-V398 HydrophobicContact CB-CG2 4.13Å; F353-V398 HydrophobicContact CD1-CG1 4.28Å; F353-V398 HydrophobicContact CD1-CG2 4.11Å; F353-V398 HydrophobicContact CD2-CG1 4.38Å; F353-V398 HydrophobicContact CE1-CG1 4.31Å; F353-V398 HydrophobicContact CE2-CG1 4.44Å; F353-V398 HydrophobicContact CG-CB 4.34Å; F353-V398 HydrophobicContact CG-CG1 4.3Å; F353-V398 HydrophobicContact CG-CG2 4.13Å; F353-V398 HydrophobicContact CZ-CG1 4.41Å; M370-V398 HydrophobicContact CE-CG1 4.33Å; M370-V398 HydrophobicContact CE-CG2 4Å; V398-I403 CarbonylContact C-O 3.37Å; V398-I403 WeakPolarHBondContact CA-O 3.2Å
399G92.9Very high93.5Very high0 Ų024.7 Ų24.70%014%0.14CC..  trans-114.1-171.9176.400000112.7M345 K347 L402 I403M345-G399 VanDerWaalsContact CE-N 3.35Å; K347-G399 WeakPolarHBondContact CD-O 3.48Å; G399-L402 PolarHBondContact O-N 2.87Å; G399-I403 PolarHBondContact N-O 3.35Å
400N88Confident92.5Very high106 Ų10621.8 Ų21.857%0.56713%0.13SC*.G310 helixtrans-57.7146.2171.2-67.7-28.8000111.5N346 L402 I403N346-N400 PolarHBondContact ND2-OD1 2.82Å; N346-N400 PolarHBondContact OD1-N 3.47Å; N346-N400 PolarHBondContact OD1-OD1 3.36Å; N400-L402 VanDerWaalsContact C-N 3.28Å; N400-L402 PolarHBondContact O-N 3.25Å; N400-I403 WeakPolarHBondContact O-CG1 3.48Å; N400-I403 PolarHBondContact O-N 3.24Å
401G85.5Confident91.6Very high59 Ų5921.7 Ų21.761%0.60813%0.129SC*.G310 helixtrans67.923.3-178.800000114.6I403G401-I403 PolarHBondContact O-N 2.77Å
402L92.3Very high90.2Very high30 Ų3022.9 Ų22.916%0.15714%0.139CC..G310 helixtrans60.424.7-177.5-52.6179.6000114F353 L362 N366 Q373 G399 N400 C404F353-L402 HydrophobicContact CE1-CD2 3.99Å; F353-L402 HydrophobicContact CZ-CD2 3.54Å; L362-L402 HydrophobicContact CD1-CD1 4.24Å; L362-L402 HydrophobicContact CD1-CD2 4.26Å; L362-L402 HydrophobicContact CD2-CD1 3.86Å; L362-L402 HydrophobicContact CD2-CD2 4.48Å; N366-L402 HydrophobicContact CB-CD1 4.18Å; Q373-L402 PolarHBondContact NE2-O 2.89Å; Q373-L402 VanDerWaalsContact NE2-O 3.09Å; G399-L402 PolarHBondContact O-N 2.87Å; N400-L402 VanDerWaalsContact C-N 3.28Å; N400-L402 PolarHBondContact O-N 3.25Å; L402-C404 PolarHBondContact O-N 3.37Å
403I93.4Very high89.1Confident37 Ų3726.9 Ų26.919%0.1915%0.154CC..  trans-65.3123.5175.3-64.8-63.6000109.6Q373 V398 G399 N400 G401 K405Q373-I403 VanDerWaalsContact OE1-CA 3.3Å; V398-I403 CarbonylContact C-O 3.37Å; V398-I403 WeakPolarHBondContact CA-O 3.2Å; G399-I403 PolarHBondContact N-O 3.35Å; N400-I403 WeakPolarHBondContact O-CG1 3.48Å; N400-I403 PolarHBondContact O-N 3.24Å; G401-I403 PolarHBondContact O-N 2.77Å; I403-K405 HydrophobicContact CG2-CG 4.23Å
404C97.6Very high87.7Confident0 Ų027.8 Ų27.80%016%0.159CC..EExtended strand (participates in β ladder)trans-102.8132.4176.8-65.30000110.3M370 Q373 V374 I396 L397 L402M370-C404 WeakPolarHBondContact CE-SG 3.28Å; Q373-C404 HydrophobicContact CB-CB 4.08Å; V374-C404 HydrophobicContact CG2-CB 4.19Å; I396-C404 HydrophobicContact CG2-CB 3.92Å; L397-C404 WeakPolarHBondContact O-CA 3.5Å; L402-C404 PolarHBondContact O-N 3.37Å
405K97.8Very high86.4Confident11 Ų1127.7 Ų27.75%0.04815%0.154CC..EExtended strand (participates in β ladder)trans-130.3137.5175.3-64.5-173.1167.1-136.20111.1D324 K325 L326 V327 E343 M345 I396 L397 I403D324-K405 WeakPolarHBondContact O-CE 3.41Å; D324-K405 PolarHBondContact O-NZ 3.44Å; K325-K405 CarbonylContact O-C 3.44Å; K325-K405 WeakPolarHBondContact O-CA 3.45Å; L326-K405 WeakPolarHBondContact O-CD 3.45Å; L326-K405 PolarHBondContact O-NZ 3.33Å; V327-K405 HydrophobicContact CG2-CB 3.65Å; E343-K405 VanDerWaalsContact CD-NZ 3.31Å; E343-K405 VanDerWaalsContact OE1-CD 3.25Å; E343-K405 WeakPolarHBondContact OE1-CD 3.37Å; E343-K405 WeakPolarHBondContact OE1-CE 3.41Å; E343-K405 IonicContact OE1-NZ 3.64Å; E343-K405 PolarHBondContact OE1-NZ 3.47Å; E343-K405 IonicContact OE2-NZ 3Å; E343-K405 PolarHBondContact OE2-NZ 2.89Å; E343-K405 VanDerWaalsContact OE2-NZ 3.13Å; M345-K405 HydrophobicContact CE-CB 4.03Å; M345-K405 HydrophobicContact CE-CD 3.88Å; M345-K405 HydrophobicContact CE-CG 3.83Å; M345-K405 HydrophobicContact SD-CD 3.96Å; I396-K405 CarbonylContact C-O 3.53Å; I396-K405 WeakPolarHBondContact CA-O 3.38Å; L397-K405 PolarHBondContact N-O 3.17Å; L397-K405 PolarHBondContact O-N 2.86Å; I403-K405 HydrophobicContact CG2-CG 4.23Å
406I97.7Very high84.9Confident0 Ų032.3 Ų32.30%018%0.176CC..EExtended strand (participates in β ladder)trans-78.4127.1177.2-54.5169.2000109K325 L326 V327 V374 M378 I381 H388 L391 I396K325-I406 PolarHBondContact O-N 2.76Å; L326-I406 HydrophobicContact CD2-CB 3.72Å; L326-I406 HydrophobicContact CD2-CD1 3.82Å; L326-I406 HydrophobicContact CD2-CG1 4.19Å; L326-I406 HydrophobicContact CD2-CG2 4.41Å; V327-I406 WeakPolarHBondContact CG2-O 3.4Å; V327-I406 PolarHBondContact N-O 2.9Å; V374-I406 HydrophobicContact CG1-CD1 4.34Å; V374-I406 HydrophobicContact CG1-CG1 4.29Å; M378-I406 HydrophobicContact CB-CD1 4.48Å; M378-I406 HydrophobicContact CG-CD1 3.67Å; M378-I406 HydrophobicContact SD-CD1 3.76Å; I381-I406 HydrophobicContact CD1-CD1 4.42Å; H388-I406 WeakPolarHBondContact CD2-CG2 3.4Å; H388-I406 WeakPolarHBondContact NE2-CG2 3.47Å; L391-I406 HydrophobicContact CD1-CG2 4.32Å; I396-I406 HydrophobicContact CD1-CB 4.21Å; I396-I406 HydrophobicContact CD1-CG1 3.79Å; I396-I406 HydrophobicContact CD1-CG2 4.28Å
407A94.1Very high83.1Confident9 Ų934.9 Ų34.97%0.07419%0.19CC..  trans-112.6169.9177.600000111V327 H388 N395 L397 F409V327-A407 HydrophobicContact CB-CB 4.32Å; V327-A407 HydrophobicContact CG2-CB 3.82Å; H388-A407 PolarHBondContact NE2-O 3.07Å; H388-A407 VanDerWaalsContact NE2-O 3.07Å; N395-A407 WeakPolarHBondContact O-CB 3.01Å; N395-A407 PolarHBondContact O-N 3.01Å; L397-A407 HydrophobicContact CD1-CB 4.05Å; L397-A407 HydrophobicContact CG-CB 3.92Å; A407-F409 PolarHBondContact O-N 2.82Å
408D86.1Confident80.8Confident52 Ų5239.1 Ų39.128%0.27821%0.212SC..SBendtrans57.219.5171.4-71.3-14.1000116K299 G410 L411K299-D408 IonicContact NZ-OD1 2.9Å; K299-D408 PolarHBondContact NZ-OD1 2.87Å; K299-D408 IonicContact NZ-OD2 3.82Å; K299-D408 PolarHBondContact NZ-OD2 3.38Å; D408-G410 PolarHBondContact O-N 3.28Å; D408-L411 HydrophobicContact CB-CD1 4.21Å; D408-L411 WeakPolarHBondContact OD1-CD1 3.41Å
409F78Confident78.6Confident4 Ų443.3 Ų43.32%0.01823%0.232CC..THydrogen-bonded Turntrans-62.2133172.852.3-91.3000110.3M318 L321 L326 I381 Y386 A407 L411M318-F409 HydrophobicContact CB-CE2 3.99Å; M318-F409 HydrophobicContact CE-CD2 4.22Å; M318-F409 HydrophobicContact CE-CE2 4.03Å; M318-F409 HydrophobicContact CE-CZ 4.47Å; M318-F409 WeakPolarHBondContact CE-O 3.27Å; M318-F409 HydrophobicContact CG-CD2 4.15Å; M318-F409 HydrophobicContact CG-CE2 3.98Å; L321-F409 HydrophobicContact CB-CE2 4.17Å; L321-F409 HydrophobicContact CD1-CD2 3.82Å; L321-F409 HydrophobicContact CD1-CE2 3.78Å; L326-F409 HydrophobicContact CB-CE1 4.15Å; I381-F409 HydrophobicContact CD1-CB 4.47Å; Y386-F409 HydrophobicContact CE1-CB 4.39Å; Y386-F409 HydrophobicContact CE1-CD2 4.23Å; A407-F409 PolarHBondContact O-N 2.82Å; F409-L411 VanDerWaalsContact C-N 3.31Å; F409-L411 PolarHBondContact O-N 2.78Å
410G71.2Confident76.6Confident1 Ų144.7 Ų44.71%0.0124%0.237CC..THydrogen-bonded Turntrans88.5-32.2177.900000116.1Y386 D408 A412 R413Y386-G410 WeakPolarHBondContact OH-CA 3.33Å; D408-G410 PolarHBondContact O-N 3.28Å; G410-A412 VanDerWaalsContact C-N 3.26Å; G410-A412 PolarHBondContact O-N 3.47Å; G410-A412 VanDerWaalsContact O-N 3.14Å; G410-R413 VanDerWaalsContact O-CB 3.3Å; G410-R413 WeakPolarHBondContact O-CB 3.28Å; G410-R413 PolarHBondContact O-N 3.16Å
411L73.9Confident74.9Confident13 Ų1343 Ų437%0.06823%0.231CC..G310 helixtrans-61.6-31.4-170.6-64179.8000113.8K299 M318 I340 D408 F409 R413 L414K299-L411 HydrophobicContact CD-CD1 4.34Å; M318-L411 HydrophobicContact CE-CD2 4.4Å; M318-L411 HydrophobicContact SD-CD2 4.19Å; I340-L411 HydrophobicContact CD1-CD1 3.88Å; I340-L411 HydrophobicContact CD1-CD2 3.67Å; I340-L411 HydrophobicContact CD1-CG 4.46Å; D408-L411 HydrophobicContact CB-CD1 4.21Å; D408-L411 WeakPolarHBondContact OD1-CD1 3.41Å; F409-L411 VanDerWaalsContact C-N 3.31Å; F409-L411 PolarHBondContact O-N 2.78Å; L411-R413 PolarHBondContact O-N 2.88Å; L411-L414 PolarHBondContact O-N 3.39Å
412A67.9Low73.3Confident26 Ų2641.4 Ų41.422%0.21521%0.212CC..G310 helixtrans-63.9-20.8178.600000113.6R389 D390 G410 L414 Y420R389-A412 HydrophobicContact CB-CB 4.32Å; D390-A412 HydrophobicContact CB-CB 4.39Å; G410-A412 VanDerWaalsContact C-N 3.26Å; G410-A412 PolarHBondContact O-N 3.47Å; G410-A412 VanDerWaalsContact O-N 3.14Å; A412-L414 VanDerWaalsContact C-N 3.34Å; A412-Y420 HydrophobicContact CB-CE1 4.46Å
413R72.8Confident71.3Confident143 Ų14349.5 Ų49.554%0.5424%0.241SC..G310 helixtrans-71.7-29.3177.8177.3175.3-179.4179.2-3.5112.9G410 L411G410-R413 VanDerWaalsContact O-CB 3.3Å; G410-R413 WeakPolarHBondContact O-CB 3.28Å; G410-R413 PolarHBondContact O-N 3.16Å; L411-R413 PolarHBondContact O-N 2.88Å
414L69.5Low69.2Low19 Ų1954.2 Ų54.210%0.09926%0.262CS..SBendtrans-93.3-9.7-167.6-62.4178.3000114.1M306 S310 F311 E314 L411 A412 E416M306-L414 HydrophobicContact CB-CB 4.14Å; M306-L414 WeakPolarHBondContact CB-O 3.43Å; M306-L414 HydrophobicContact CE-CB 3.54Å; M306-L414 HydrophobicContact CE-CD1 4.1Å; M306-L414 HydrophobicContact SD-CB 3.74Å; M306-L414 HydrophobicContact SD-CD1 3.56Å; M306-L414 VanDerWaalsContact SD-CD1 3.56Å; M306-L414 HydrophobicContact SD-CG 4.37Å; S310-L414 WeakPolarHBondContact O-CD2 3.28Å; F311-L414 HydrophobicContact CD2-CD1 4.45Å; E314-L414 HydrophobicContact CB-CD1 3.58Å; E314-L414 HydrophobicContact CB-CD2 3.95Å; E314-L414 HydrophobicContact CB-CG 4.1Å; E314-L414 HydrophobicContact CG-CD1 3.8Å; E314-L414 HydrophobicContact CG-CD2 4.28Å; E314-L414 HydrophobicContact CG-CG 4.1Å; L411-L414 PolarHBondContact O-N 3.39Å; A412-L414 VanDerWaalsContact C-N 3.34Å; L414-E416 PolarHBondContact O-N 3.17Å; L414-E416 VanDerWaalsContact O-N 3.13Å
415I67.1Low67Low25 Ų2555.3 Ų55.313%0.12827%0.273CS..  trans-69.2113.4-175.9-61.9168.5000108.3F282 T305 M306 D417 Y420F282-I415 HydrophobicContact CD1-CD1 4.2Å; F282-I415 HydrophobicContact CD1-CG1 4.43Å; F282-I415 HydrophobicContact CD1-CG2 4.15Å; F282-I415 HydrophobicContact CD2-CD1 3.86Å; F282-I415 HydrophobicContact CE1-CD1 3.99Å; F282-I415 HydrophobicContact CE1-CG1 4.39Å; F282-I415 HydrophobicContact CE1-CG2 3.57Å; F282-I415 HydrophobicContact CE2-CD1 3.61Å; F282-I415 HydrophobicContact CG-CD1 4.17Å; F282-I415 HydrophobicContact CZ-CD1 3.72Å; F282-I415 HydrophobicContact CZ-CG2 4.07Å; T305-I415 HydrophobicContact CG2-CG1 4.46Å; M306-I415 HydrophobicContact CE-CG1 4.5Å; I415-D417 HydrophobicContact CG2-CB 3.81Å; I415-D417 PolarHBondContact O-N 2.94Å; I415-Y420 HydrophobicContact CD1-CD1 4.02Å; I415-Y420 HydrophobicContact CD1-CE1 3.88Å; I415-Y420 HydrophobicContact CD1-CG 4.39Å; I415-Y420 HydrophobicContact CG2-CG 4.24Å
416E63.8Low64.9Low107 Ų10759.4 Ų59.450%0.531%0.309SS..  trans-76.8-8-178.8-69.3177.6-169.200112.9T305 S307 L414 N418T305-E416 PolarHBondContact O-N 2.67Å; T305-E416 VanDerWaalsContact O-N 3.09Å; S307-E416 WeakPolarHBondContact CB-OE1 3.39Å; S307-E416 PolarHBondContact N-OE1 3.36Å; S307-E416 PolarHBondContact OG-OE1 3.3Å; L414-E416 PolarHBondContact O-N 3.17Å; L414-E416 VanDerWaalsContact O-N 3.13Å; E416-N418 PolarHBondContact O-N 3.14Å
417D59.3Low63.4Low55 Ų5562.4 Ų62.429%0.29432%0.322SS..  trans-64115.5-179.3-167.9-6.4000110.9I415 E419 Y420 K427I415-D417 HydrophobicContact CG2-CB 3.81Å; I415-D417 PolarHBondContact O-N 2.94Å; D417-E419 PolarHBondContact O-N 3.36Å; D417-E419 WeakPolarHBondContact OD1-CB 3.4Å; D417-E419 PolarHBondContact OD1-N 3.16Å; D417-Y420 PolarHBondContact O-N 3.1Å; D417-K427 IonicContact OD2-NZ 2.59Å; D417-K427 PolarHBondContact OD2-NZ 3.23Å
418N50Low62.5Low124 Ų12462.6 Ų62.666%0.66332%0.321SS*.G310 helixtrans-53.5-24.8173.9-72-33.8000112.2E416 Y420 T421E416-N418 PolarHBondContact O-N 3.14Å; N418-Y420 VanDerWaalsContact C-N 3.29Å; N418-Y420 PolarHBondContact O-N 3.08Å; N418-T421 PolarHBondContact O-N 3.41Å; N418-T421 PolarHBondContact O-OG1 3.22Å
419E50.6Low62.6Low89 Ų8960.8 Ų60.842%0.41631%0.312SS..G310 helixtrans-74-12176.5-64.9-172.7-170.400114.6D417 T421 K427D417-E419 PolarHBondContact O-N 3.36Å; D417-E419 WeakPolarHBondContact OD1-CB 3.4Å; D417-E419 PolarHBondContact OD1-N 3.16Å; E419-T421 PolarHBondContact O-N 3.09Å; E419-K427 HydrophobicContact CB-CD 4.12Å; E419-K427 WeakPolarHBondContact OE2-CD 3.48Å; E419-K427 WeakPolarHBondContact OE2-CE 3.2Å; E419-K427 IonicContact OE2-NZ 3.58Å; E419-K427 PolarHBondContact OE2-NZ 3.47Å
420Y52.5Low63.3Low28 Ų2861.2 Ų61.211%0.1132%0.315CS..G310 helixtrans-84.83.8175.1-132.4-111.2000113.4F282 A412 I415 D417 N418 K427 F428F282-Y420 HydrophobicContact CE1-CD2 4.36Å; F282-Y420 HydrophobicContact CE1-CE2 4.44Å; F282-Y420 HydrophobicContact CE2-CD2 4.12Å; F282-Y420 AromaticContact CE2-CE2 3.43Å; F282-Y420 HydrophobicContact CE2-CE2 3.43Å; F282-Y420 VanDerWaalsContact CE2-CE2 3.43Å; F282-Y420 AromaticContact CE2-CZ 3.69Å; F282-Y420 AromaticContact CZ-CD2 3.42Å; F282-Y420 HydrophobicContact CZ-CD2 3.42Å; F282-Y420 VanDerWaalsContact CZ-CD2 3.42Å; F282-Y420 AromaticContact CZ-CE2 3.19Å; F282-Y420 HydrophobicContact CZ-CE2 3.19Å; F282-Y420 HydrophobicContact CZ-CG 4.27Å; F282-Y420 AromaticContact CZ-CZ 3.87Å; A412-Y420 HydrophobicContact CB-CE1 4.46Å; I415-Y420 HydrophobicContact CD1-CD1 4.02Å; I415-Y420 HydrophobicContact CD1-CE1 3.88Å; I415-Y420 HydrophobicContact CD1-CG 4.39Å; I415-Y420 HydrophobicContact CG2-CG 4.24Å; D417-Y420 PolarHBondContact O-N 3.1Å; N418-Y420 VanDerWaalsContact C-N 3.29Å; N418-Y420 PolarHBondContact O-N 3.08Å; Y420-K427 HydrophobicContact CD2-CB 4.09Å; Y420-K427 HydrophobicContact CE2-CB 4.09Å; Y420-F428 AromaticContact CD1-CD2 3.89Å; Y420-F428 HydrophobicContact CD1-CD2 3.89Å; Y420-F428 HydrophobicContact CD1-CE2 4.38Å; Y420-F428 HydrophobicContact CE1-CD2 4.01Å; Y420-F428 HydrophobicContact CE1-CE2 4.42Å; Y420-F428 HydrophobicContact CG-CD2 4.4Å; Y420-F428 WeakPolarHBondContact O-CD2 3Å
421T51.7Low64.5Low71 Ų7162.2 Ų62.244%0.43632%0.319SS..SBendtrans-79.2133.3168650000110N418 E419 R423 Q424N418-T421 PolarHBondContact O-N 3.41Å; N418-T421 PolarHBondContact O-OG1 3.22Å; E419-T421 PolarHBondContact O-N 3.09Å; T421-R423 PolarHBondContact O-N 3.4Å; T421-Q424 PolarHBondContact O-N 3.24Å
422A52.6Low65.6Low26 Ų2663.2 Ų63.222%0.21532%0.321CS..THydrogen-bonded Turntrans-56.5-14.5-174.500000114.9F428 I430 A438A422-F428 HydrophobicContact CB-CD1 4.13Å; A422-F428 HydrophobicContact CB-CE1 4.18Å; A422-I430 HydrophobicContact CB-CD1 4.24Å; A422-A438 HydrophobicContact CB-CB 4.38Å; A422-A438 WeakPolarHBondContact CB-O 3.48Å
423R50.6Low66.9Low199 Ų19962.5 Ų62.575%0.75131%0.314SS*.THydrogen-bonded Turntrans-87.7-13.8178.6-65.8-173.8179.1-172.6-0.3114.6T421 L439T421-R423 PolarHBondContact O-N 3.4Å; R423-L439 PolarHBondContact NE-O 3.16Å; R423-L439 PolarHBondContact NH2-O 3.23Å
424Q47.8Very low68Low137 Ų13755.7 Ų55.764%0.6429%0.289SS*.THydrogen-bonded Turntrans-127.6-1.8-165.2-72.8-170.8-6.400117.9T421T421-Q424 PolarHBondContact O-N 3.24Å
425G52.6Low69.2Low23 Ų2355.5 Ų55.524%0.23729%0.289CS..  trans-159.3149-175.200000118.2K427G425-K427 PolarHBondContact O-N 3.14Å; G425-K427 VanDerWaalsContact O-N 3.11Å
426A53.7Low70.5Confident96 Ų9655.3 Ų55.379%0.79329%0.287SS*.THydrogen-bonded Turntrans-64.2-6.8173.400000114.3
427K66.1Low71.9Confident63 Ų6350.3 Ų50.327%0.27426%0.264SS..THydrogen-bonded Turntrans-80.3-25.1-174.2-66.6175.2174.2170.80113.6Q281 D417 E419 Y420 G425Q281-K427 HydrophobicContact CG-CD 4.31Å; D417-K427 IonicContact OD2-NZ 2.59Å; D417-K427 PolarHBondContact OD2-NZ 3.23Å; E419-K427 HydrophobicContact CB-CD 4.12Å; E419-K427 WeakPolarHBondContact OE2-CD 3.48Å; E419-K427 WeakPolarHBondContact OE2-CE 3.2Å; E419-K427 IonicContact OE2-NZ 3.58Å; E419-K427 PolarHBondContact OE2-NZ 3.47Å; Y420-K427 HydrophobicContact CD2-CB 4.09Å; Y420-K427 HydrophobicContact CE2-CB 4.09Å; G425-K427 PolarHBondContact O-N 3.14Å; G425-K427 VanDerWaalsContact O-N 3.11Å
428F74.8Confident73.4Confident14 Ų1447.9 Ų47.96%0.06125%0.252CS..SBendtrans-82.2138.2-175.2-169.3-94.6000111.2Y420 A422 I430 T433 F443Y420-F428 AromaticContact CD1-CD2 3.89Å; Y420-F428 HydrophobicContact CD1-CD2 3.89Å; Y420-F428 HydrophobicContact CD1-CE2 4.38Å; Y420-F428 HydrophobicContact CE1-CD2 4.01Å; Y420-F428 HydrophobicContact CE1-CE2 4.42Å; Y420-F428 HydrophobicContact CG-CD2 4.4Å; Y420-F428 WeakPolarHBondContact O-CD2 3Å; A422-F428 HydrophobicContact CB-CD1 4.13Å; A422-F428 HydrophobicContact CB-CE1 4.18Å; F428-I430 HydrophobicContact CD1-CD1 3.64Å; F428-I430 HydrophobicContact CD1-CG1 4.07Å; F428-I430 HydrophobicContact CE1-CD1 4.3Å; F428-I430 PolarHBondContact O-N 3.31Å; F428-T433 HydrophobicContact CE1-CG2 3.68Å; F428-T433 WeakPolarHBondContact CE1-OG1 3.47Å; F428-T433 HydrophobicContact CZ-CG2 3.96Å; F428-F443 HydrophobicContact CE2-CZ 4.04Å; F428-F443 AromaticContact CZ-CE1 3.92Å; F428-F443 HydrophobicContact CZ-CE1 3.92Å; F428-F443 AromaticContact CZ-CZ 3.58Å; F428-F443 HydrophobicContact CZ-CZ 3.58Å
429P89.1Confident75.2Confident14 Ų1443.6 Ų43.69%0.09123%0.229CC..  trans-77.156.6-172.733.3-37.8000113.1D390 K431 W432 T433D390-P429 WeakPolarHBondContact OD1-CG 3.31Å; P429-K431 PolarHBondContact O-N 3.41Å; P429-W432 HydrophobicContact CB-CE3 4.17Å; P429-W432 PolarHBondContact O-N 3.2Å; P429-T433 PolarHBondContact O-N 3.09Å; P429-T433 PolarHBondContact O-OG1 2.8Å
430I92.2Very high77Confident13 Ų1346.1 Ų46.17%0.06724%0.235CC..THydrogen-bonded Turntrans-46.9-37.7-172-67.6-72.3000113.6A422 F428 W432 T433 A438 N472A422-I430 HydrophobicContact CB-CD1 4.24Å; F428-I430 HydrophobicContact CD1-CD1 3.64Å; F428-I430 HydrophobicContact CD1-CG1 4.07Å; F428-I430 HydrophobicContact CE1-CD1 4.3Å; F428-I430 PolarHBondContact O-N 3.31Å; I430-W432 PolarHBondContact O-N 3.49Å; I430-T433 PolarHBondContact O-N 3.38Å; I430-A438 HydrophobicContact CD1-CB 4.45Å; I430-N472 HydrophobicContact CB-CB 4Å; I430-N472 HydrophobicContact CG1-CB 4.16Å; I430-N472 HydrophobicContact CG2-CB 4.03Å; I430-N472 WeakPolarHBondContact CG2-O 3.19Å
431K96.2Very high78.6Confident22 Ų2247.1 Ų47.110%0.09625%0.254CS..THydrogen-bonded Turntrans-68.2-19.8-178-62.4-171.2167.1-158.50114.6P429 V465 P466 Y467 M470 V475P429-K431 PolarHBondContact O-N 3.41Å; K431-V465 HydrophobicContact CD-CG1 4.08Å; K431-P466 HydrophobicContact CB-CB 4.32Å; K431-P466 VanDerWaalsContact CD-O 3.31Å; K431-P466 WeakPolarHBondContact CD-O 3.01Å; K431-P466 PolarHBondContact NZ-O 2.94Å; K431-Y467 HydrophobicContact CB-CD2 4.23Å; K431-Y467 HydrophobicContact CG-CD2 4.48Å; K431-Y467 PolarHBondContact NZ-O 3.48Å; K431-Y467 VanDerWaalsContact NZ-O 3.16Å; K431-Y467 WeakPolarHBondContact O-CE2 3.41Å; K431-M470 VanDerWaalsContact CE-O 3.22Å; K431-M470 WeakPolarHBondContact CE-O 3.47Å; K431-M470 PolarHBondContact NZ-O 3.43Å; K431-V475 HydrophobicContact CG-CG1 4.5Å; K431-V475 HydrophobicContact CG-CG2 4.23Å
432W97.1Very high80.5Confident33 Ų3351.9 Ų51.913%0.12526%0.264CS..THydrogen-bonded Turntrans-99.1-19.1175.2-70.7-99.7000112.2R392 P429 I430 S451 I454 E458 P466R392-W432 HydrophobicContact CB-CD2 4.18Å; R392-W432 HydrophobicContact CB-CG 3.88Å; P429-W432 HydrophobicContact CB-CE3 4.17Å; P429-W432 PolarHBondContact O-N 3.2Å; I430-W432 PolarHBondContact O-N 3.49Å; W432-S451 WeakPolarHBondContact O-CA 3.49Å; W432-S451 PolarHBondContact O-OG 3.25Å; W432-I454 HydrophobicContact CD2-CG2 4.29Å; W432-I454 HydrophobicContact CG-CB 4.39Å; W432-I454 HydrophobicContact CG-CG2 3.86Å; W432-E458 HydrophobicContact CZ2-CG 4.48Å; W432-E458 WeakPolarHBondContact CZ2-OE1 3.37Å; W432-E458 PolarHBondContact NE1-OE2 3.29Å; W432-P466 HydrophobicContact CD2-CG 4.44Å; W432-P466 HydrophobicContact CH2-CG 4.11Å; W432-P466 VanDerWaalsContact CZ2-CD 3.41Å; W432-P466 HydrophobicContact CZ2-CG 3.59Å
433T95.1Very high82.4Confident11 Ų1153 Ų537%0.06726%0.264CS..SBendtrans-80.4136.3-172.8-48.40000112.1F428 P429 I430 A437 A438 F443 W450F428-T433 HydrophobicContact CE1-CG2 3.68Å; F428-T433 WeakPolarHBondContact CE1-OG1 3.47Å; F428-T433 HydrophobicContact CZ-CG2 3.96Å; P429-T433 PolarHBondContact O-N 3.09Å; P429-T433 PolarHBondContact O-OG1 2.8Å; I430-T433 PolarHBondContact O-N 3.38Å; T433-A437 HydrophobicContact CG2-CB 3.58Å; T433-A438 HydrophobicContact CG2-CB 4.12Å; T433-F443 HydrophobicContact CG2-CE1 4.24Å; T433-W450 PolarHBondContact O-NE1 3.5Å
434A96.6Very high84.5Confident0 Ų046 Ų460%024%0.244CC..  trans-62.3146.517300000111.7E436 A437 A438 W450A434-E436 VanDerWaalsContact C-N 3.29Å; A434-E436 VanDerWaalsContact CB-CD 3.5Å; A434-E436 WeakPolarHBondContact CB-OE1 3.3Å; A434-E436 WeakPolarHBondContact CB-OE2 3.43Å; A434-E436 PolarHBondContact O-N 3.45Å; A434-A437 HydrophobicContact CB-CB 4.41Å; A434-A437 PolarHBondContact O-N 3.3Å; A434-A438 PolarHBondContact O-N 3.02Å; A434-W450 HydrophobicContact CB-CB 3.7Å; A434-W450 HydrophobicContact CB-CD2 4Å; A434-W450 HydrophobicContact CB-CE3 4.41Å; A434-W450 HydrophobicContact CB-CG 3.66Å
435P94.4Very high86.8Confident15 Ų1541 Ų4110%0.09722%0.221CC..Hα-helixtrans-58.8-38.3-174.722.3-33.1000112.9A437 A438 L439 W450 V479P435-A437 VanDerWaalsContact C-N 3.33Å; P435-A437 PolarHBondContact O-N 2.81Å; P435-A438 PolarHBondContact O-N 3.3Å; P435-L439 VanDerWaalsContact O-CB 3.28Å; P435-L439 WeakPolarHBondContact O-CB 3.4Å; P435-L439 VanDerWaalsContact O-CG 3.25Å; P435-L439 WeakPolarHBondContact O-CG 3.18Å; P435-L439 PolarHBondContact O-N 3.27Å; P435-W450 HydrophobicContact CG-CH2 4.2Å; P435-W450 HydrophobicContact CG-CZ3 4.09Å; P435-V479 HydrophobicContact CB-CG1 4.25Å; P435-V479 HydrophobicContact CG-CG1 4.26Å
436E94Very high89Confident22 Ų2241.2 Ų41.210%0.10322%0.216CC..Hα-helixtrans-67.8-32.4177.672.7-72.8175.600113.3A434 Y440 R442 P507 R510A434-E436 VanDerWaalsContact C-N 3.29Å; A434-E436 VanDerWaalsContact CB-CD 3.5Å; A434-E436 WeakPolarHBondContact CB-OE1 3.3Å; A434-E436 WeakPolarHBondContact CB-OE2 3.43Å; A434-E436 PolarHBondContact O-N 3.45Å; E436-Y440 HydrophobicContact CB-CD2 4.31Å; E436-Y440 WeakPolarHBondContact O-CB 3.47Å; E436-Y440 PolarHBondContact O-N 3.01Å; E436-Y440 VanDerWaalsContact O-N 3.11Å; E436-R442 HydrophobicContact CG-CB 4.41Å; E436-R442 PolarHBondContact O-N 2.95Å; E436-P507 HydrophobicContact CG-CG 4.03Å; E436-R510 IonicContact OE1-CZ 3.7Å; E436-R510 IonicContact OE1-NH1 2.69Å; E436-R510 PolarHBondContact OE1-NH1 3.24Å; E436-R510 IonicContact OE1-NH2 2.82Å; E436-R510 PolarHBondContact OE1-NH2 3.21Å; E436-R510 IonicContact OE2-CZ 2.61Å; E436-R510 IonicContact OE2-NH1 2.8Å; E436-R510 IonicContact OE2-NH2 2.9Å; E436-R510 PolarHBondContact OE2-NH2 2.96Å
437A93.1Very high91.1Very high1 Ų136.8 Ų36.81%0.00818%0.179CC..Hα-helixtrans-74.2-41.1175.400000110.8T433 A434 P435 G441 F443T433-A437 HydrophobicContact CG2-CB 3.58Å; A434-A437 HydrophobicContact CB-CB 4.41Å; A434-A437 PolarHBondContact O-N 3.3Å; P435-A437 VanDerWaalsContact C-N 3.33Å; P435-A437 PolarHBondContact O-N 2.81Å; A437-G441 WeakPolarHBondContact O-CA 3.5Å; A437-G441 PolarHBondContact O-N 3.37Å; A437-F443 HydrophobicContact CB-CD1 3.84Å; A437-F443 HydrophobicContact CB-CE1 3.81Å; A437-F443 HydrophobicContact CB-CG 4.23Å; A437-F443 HydrophobicContact CB-CZ 4.14Å
438A90.4Very high92.6Very high4 Ų433.8 Ų33.83%0.03317%0.166CC..Hα-helixtrans-69.8-41.1177.200000113.2A422 I430 T433 A434 P435 L476A422-A438 HydrophobicContact CB-CB 4.38Å; A422-A438 WeakPolarHBondContact CB-O 3.48Å; I430-A438 HydrophobicContact CD1-CB 4.45Å; T433-A438 HydrophobicContact CG2-CB 4.12Å; A434-A438 PolarHBondContact O-N 3.02Å; P435-A438 PolarHBondContact O-N 3.3Å; A438-L476 HydrophobicContact CB-CD1 3.79Å
439L88.4Confident93.8Very high35 Ų3533.1 Ų33.118%0.18316%0.163CC..Hα-helixtrans-83.6-36.4-174.8-66.9170.3000113.3R423 P435 L476R423-L439 PolarHBondContact NE-O 3.16Å; R423-L439 PolarHBondContact NH2-O 3.23Å; P435-L439 VanDerWaalsContact O-CB 3.28Å; P435-L439 WeakPolarHBondContact O-CB 3.4Å; P435-L439 VanDerWaalsContact O-CG 3.25Å; P435-L439 WeakPolarHBondContact O-CG 3.18Å; P435-L439 PolarHBondContact O-N 3.27Å; L439-L476 HydrophobicContact CD2-CD1 4.08Å; L439-L476 HydrophobicContact CD2-CD2 3.83Å; L439-L476 HydrophobicContact CD2-CG 4.08Å; L439-L476 HydrophobicContact CG-CD1 4.11Å
440Y88.3Confident94.2Very high141 Ų14132.6 Ų32.655%0.55316%0.159SC*.Hα-helixtrans-124.60.9-168.7-45.4-62.6000114E436 R442E436-Y440 HydrophobicContact CB-CD2 4.31Å; E436-Y440 WeakPolarHBondContact O-CB 3.47Å; E436-Y440 PolarHBondContact O-N 3.01Å; E436-Y440 VanDerWaalsContact O-N 3.11Å; Y440-R442 PolarHBondContact O-N 3.22Å
441G86.4Confident94.5Very high49 Ų4932.2 Ų32.251%0.50516%0.158SC..  trans67.618.1-177.200000113.9A437 F443A437-G441 WeakPolarHBondContact O-CA 3.5Å; A437-G441 PolarHBondContact O-N 3.37Å; G441-F443 WeakPolarHBondContact O-CD2 3.42Å; G441-F443 PolarHBondContact O-N 3.39Å; G441-F443 VanDerWaalsContact O-N 3.15Å
442R90.8Very high94.7Very high172 Ų17231.2 Ų31.265%0.64915%0.153SC*.  trans-85.681.9-178-67.9-177.3-177.1-175.61111.3E436 Y440E436-R442 HydrophobicContact CG-CB 4.41Å; E436-R442 PolarHBondContact O-N 2.95Å; Y440-R442 PolarHBondContact O-N 3.22Å
443F91.9Very high94.7Very high48 Ų4829.6 Ų29.621%0.21115%0.147CC..  trans-83.2129.1173.3-64.1-90.5000110.9I387 R389 F428 T433 A437 G441I387-F443 HydrophobicContact CG2-CB 4.41Å; R389-F443 HydrophobicContact CB-CD1 4.02Å; R389-F443 HydrophobicContact CB-CE1 4.4Å; R389-F443 HydrophobicContact CG-CB 4.19Å; R389-F443 HydrophobicContact CG-CD1 4.06Å; R389-F443 HydrophobicContact CG-CG 4.25Å; F428-F443 HydrophobicContact CE2-CZ 4.04Å; F428-F443 AromaticContact CZ-CE1 3.92Å; F428-F443 HydrophobicContact CZ-CE1 3.92Å; F428-F443 AromaticContact CZ-CZ 3.58Å; F428-F443 HydrophobicContact CZ-CZ 3.58Å; T433-F443 HydrophobicContact CG2-CE1 4.24Å; A437-F443 HydrophobicContact CB-CD1 3.84Å; A437-F443 HydrophobicContact CB-CE1 3.81Å; A437-F443 HydrophobicContact CB-CG 4.23Å; A437-F443 HydrophobicContact CB-CZ 4.14Å; G441-F443 WeakPolarHBondContact O-CD2 3.42Å; G441-F443 PolarHBondContact O-N 3.39Å; G441-F443 VanDerWaalsContact O-N 3.15Å
444T95.4Very high94.9Very high54 Ų5429.1 Ų29.133%0.33114%0.144SC..  trans-144.3171.4175.968.20000109.7K446 S447 D448T444-K446 PolarHBondContact O-N 3.49Å; T444-K446 PolarHBondContact OG1-N 2.83Å; T444-S447 PolarHBondContact N-OG 3.45Å; T444-S447 WeakPolarHBondContact O-CB 3.36Å; T444-S447 PolarHBondContact O-N 2.9Å; T444-S447 PolarHBondContact O-OG 3.33Å; T444-S447 PolarHBondContact OG1-N 3.36Å; T444-D448 PolarHBondContact O-N 3.24Å
445I97.1Very high95Very high32 Ų3229.1 Ų29.116%0.16414%0.144CC..Hα-helixtrans-57.7-30.4171-165.964.2000112.1M378 I381 E382 S447 D448 V449 F513M378-I445 HydrophobicContact CE-CD1 3.9Å; I381-I445 HydrophobicContact CG2-CD1 4.19Å; E382-I445 HydrophobicContact CB-CD1 4Å; E382-I445 HydrophobicContact CB-CG1 3.85Å; E382-I445 HydrophobicContact CG-CG1 3.95Å; I445-S447 VanDerWaalsContact C-N 3.32Å; I445-S447 PolarHBondContact O-N 3.18Å; I445-D448 HydrophobicContact CD1-CB 4.4Å; I445-D448 WeakPolarHBondContact O-CA 3.39Å; I445-D448 WeakPolarHBondContact O-CB 3.5Å; I445-D448 PolarHBondContact O-N 2.74Å; I445-D448 VanDerWaalsContact O-N 3.1Å; I445-V449 WeakPolarHBondContact O-CG2 3.47Å; I445-V449 PolarHBondContact O-N 2.84Å; I445-F513 HydrophobicContact CD1-CD2 3.83Å; I445-F513 HydrophobicContact CD1-CE2 3.74Å; I445-F513 HydrophobicContact CG1-CD2 3.92Å; I445-F513 HydrophobicContact CG1-CE2 4.04Å
446K98.5Very high95.2Very high27 Ų2728.5 Ų28.512%0.11714%0.14CC..Hα-helixtrans-69.2-28.3175.2-60.3-60.7-170.11740113T444 D448 V449 W450 P507 R510 P511T444-K446 PolarHBondContact O-N 3.49Å; T444-K446 PolarHBondContact OG1-N 2.83Å; K446-D448 VanDerWaalsContact C-N 3.35Å; K446-V449 PolarHBondContact O-N 3.08Å; K446-W450 PolarHBondContact O-N 3.23Å; K446-P507 HydrophobicContact CB-CB 3.81Å; K446-P507 WeakPolarHBondContact CD-O 3.18Å; K446-P507 HydrophobicContact CG-CB 4.38Å; K446-P507 WeakPolarHBondContact CG-O 3.38Å; K446-R510 HydrophobicContact CD-CB 4.31Å; K446-R510 PolarHBondContact NZ-O 3.04Å; K446-R510 WeakPolarHBondContact O-CD 3.48Å; K446-R510 PolarHBondContact O-NH1 2.86Å; K446-P511 PolarHBondContact NZ-O 2.91Å
447S97.3Very high95.4Very high3 Ų327.8 Ų27.82%0.02114%0.137CC..Hα-helixtrans-72.8-28.9169.971.40000112.3T444 I445 W450 S451T444-S447 PolarHBondContact N-OG 3.45Å; T444-S447 WeakPolarHBondContact O-CB 3.36Å; T444-S447 PolarHBondContact O-N 2.9Å; T444-S447 PolarHBondContact O-OG 3.33Å; T444-S447 PolarHBondContact OG1-N 3.36Å; I445-S447 VanDerWaalsContact C-N 3.32Å; I445-S447 PolarHBondContact O-N 3.18Å; S447-W450 WeakPolarHBondContact O-CB 3.48Å; S447-W450 PolarHBondContact O-N 3.05Å; S447-S451 PolarHBondContact O-N 2.79Å; S447-S451 PolarHBondContact O-OG 3.35Å
448D98.1Very high95.6Very high0 Ų027.9 Ų27.90%014%0.137CC..Hα-helixtrans-72-34.6169.9-67.2-32.3000111.7M378 I387 H388 R389 T444 I445 K446 W450 S451 F452 F513M378-D448 HydrophobicContact CE-CB 3.6Å; I387-D448 WeakPolarHBondContact CG2-OD2 3.48Å; H388-D448 WeakPolarHBondContact CB-OD2 3.32Å; H388-D448 PolarHBondContact N-OD2 3.19Å; R389-D448 WeakPolarHBondContact CA-OD1 3.27Å; R389-D448 PolarHBondContact N-OD1 3.34Å; T444-D448 PolarHBondContact O-N 3.24Å; I445-D448 HydrophobicContact CD1-CB 4.4Å; I445-D448 WeakPolarHBondContact O-CA 3.39Å; I445-D448 WeakPolarHBondContact O-CB 3.5Å; I445-D448 PolarHBondContact O-N 2.74Å; I445-D448 VanDerWaalsContact O-N 3.1Å; K446-D448 VanDerWaalsContact C-N 3.35Å; D448-W450 VanDerWaalsContact C-N 3.3Å; D448-W450 PolarHBondContact O-N 3.48Å; D448-S451 CarbonylContact O-C 3.6Å; D448-S451 WeakPolarHBondContact O-CA 3.41Å; D448-S451 WeakPolarHBondContact O-CB 3.31Å; D448-S451 PolarHBondContact O-N 3.48Å; D448-S451 VanDerWaalsContact O-N 3.09Å; D448-F452 PolarHBondContact O-N 3.36Å; D448-F513 HydrophobicContact CB-CE2 3.99Å; D448-F513 HydrophobicContact CB-CZ 4.14Å
449V98.8Very high96Very high0 Ų027.8 Ų27.80%014%0.136CC..Hα-helixtrans-58.9-41.9172.8170.90000111.2I445 K446 S451 F452 G453 C502 R510 P511 F513 L516I445-V449 WeakPolarHBondContact O-CG2 3.47Å; I445-V449 PolarHBondContact O-N 2.84Å; K446-V449 PolarHBondContact O-N 3.08Å; V449-S451 VanDerWaalsContact C-N 3.33Å; V449-S451 PolarHBondContact O-N 3.35Å; V449-F452 WeakPolarHBondContact O-CB 3.38Å; V449-F452 PolarHBondContact O-N 3.07Å; V449-G453 PolarHBondContact O-N 2.86Å; V449-C502 HydrophobicContact CG1-CB 4.07Å; V449-C502 WeakPolarHBondContact O-CB 3.42Å; V449-R510 HydrophobicContact CB-CB 4.48Å; V449-R510 HydrophobicContact CG1-CB 3.87Å; V449-P511 HydrophobicContact CG1-CG 4.11Å; V449-P511 WeakPolarHBondContact CG2-O 3.27Å; V449-F513 HydrophobicContact CB-CE2 4.42Å; V449-F513 HydrophobicContact CB-CZ 4.46Å; V449-F513 HydrophobicContact CG2-CD2 3.8Å; V449-F513 HydrophobicContact CG2-CE2 3.5Å; V449-F513 VanDerWaalsContact CG2-CE2 3.5Å; V449-F513 HydrophobicContact CG2-CG 4.44Å; V449-F513 HydrophobicContact CG2-CZ 3.91Å; V449-L516 HydrophobicContact CG1-CD1 4.13Å
450W98.8Very high96.4Very high3 Ų327.2 Ų27.21%0.01113%0.134CC..Hα-helixtrans-57.5-48.7171.9175.7-73.2000111.5T433 A434 P435 K446 S447 D448 F452 G453 I454 V479 C502 W503T433-W450 PolarHBondContact O-NE1 3.5Å; A434-W450 HydrophobicContact CB-CB 3.7Å; A434-W450 HydrophobicContact CB-CD2 4Å; A434-W450 HydrophobicContact CB-CE3 4.41Å; A434-W450 HydrophobicContact CB-CG 3.66Å; P435-W450 HydrophobicContact CG-CH2 4.2Å; P435-W450 HydrophobicContact CG-CZ3 4.09Å; K446-W450 PolarHBondContact O-N 3.23Å; S447-W450 WeakPolarHBondContact O-CB 3.48Å; S447-W450 PolarHBondContact O-N 3.05Å; D448-W450 VanDerWaalsContact C-N 3.3Å; D448-W450 PolarHBondContact O-N 3.48Å; W450-F452 VanDerWaalsContact C-N 3.27Å; W450-F452 PolarHBondContact O-N 2.8Å; W450-G453 WeakPolarHBondContact O-CA 3.44Å; W450-G453 PolarHBondContact O-N 3.03Å; W450-I454 PolarHBondContact O-N 3.37Å; W450-I454 VanDerWaalsContact O-N 3.14Å; W450-V479 HydrophobicContact CH2-CG1 3.45Å; W450-V479 VanDerWaalsContact CH2-CG1 3.45Å; W450-V479 HydrophobicContact CZ2-CG1 3.56Å; W450-V479 HydrophobicContact CZ2-CG2 4.48Å; W450-C502 WeakPolarHBondContact CA-O 3.06Å; W450-W503 AromaticContact CD2-CD1 3.69Å; W450-W503 HydrophobicContact CD2-CG 4.44Å; W450-W503 AromaticContact CE2-CD1 3.84Å; W450-W503 HydrophobicContact CE3-CB 4.04Å; W450-W503 HydrophobicContact CE3-CG 4.43Å; W450-W503 AromaticContact CG-CD1 3.97Å; W450-W503 HydrophobicContact CH2-CB 4.03Å; W450-W503 HydrophobicContact CH2-CG 4.48Å; W450-W503 HydrophobicContact CZ3-CB 3.79Å; W450-W503 HydrophobicContact CZ3-CG 4.46Å; W450-W503 WeakPolarHBondContact CZ3-O 3.46Å; W450-W503 PolarHBondContact O-NE1 3.26Å
451S98.6Very high96.8Very high5 Ų521.8 Ų21.84%0.03512%0.116CC..Hα-helixtrans-61.3-38-179.4-52.50000111.1L391 W432 S447 D448 V449 I454 L455L391-S451 WeakPolarHBondContact O-CB 3.34Å; W432-S451 WeakPolarHBondContact O-CA 3.49Å; W432-S451 PolarHBondContact O-OG 3.25Å; S447-S451 PolarHBondContact O-N 2.79Å; S447-S451 PolarHBondContact O-OG 3.35Å; D448-S451 CarbonylContact O-C 3.6Å; D448-S451 WeakPolarHBondContact O-CA 3.41Å; D448-S451 WeakPolarHBondContact O-CB 3.31Å; D448-S451 PolarHBondContact O-N 3.48Å; D448-S451 VanDerWaalsContact O-N 3.09Å; V449-S451 VanDerWaalsContact C-N 3.33Å; V449-S451 PolarHBondContact O-N 3.35Å; S451-I454 WeakPolarHBondContact O-CB 3.37Å; S451-I454 PolarHBondContact O-N 2.73Å; S451-I454 VanDerWaalsContact O-N 3.16Å; S451-L455 PolarHBondContact O-N 2.77Å
452F98.8Very high97.2Very high0 Ų022.2 Ų22.20%010%0.104CC..Hα-helixtrans-62.1-42.2172.4-176.6-100.8000112.2A371 V374 A375 L391 D448 V449 W450 I454 L455 L456 F513 L516 L520A371-F452 HydrophobicContact CB-CZ 4.46Å; V374-F452 HydrophobicContact CB-CE2 4.11Å; V374-F452 HydrophobicContact CG1-CD2 4.03Å; V374-F452 HydrophobicContact CG1-CE2 3.86Å; A375-F452 HydrophobicContact CB-CE2 4.11Å; A375-F452 HydrophobicContact CB-CZ 3.81Å; L391-F452 HydrophobicContact CD2-CB 3.84Å; L391-F452 HydrophobicContact CD2-CD2 4.22Å; D448-F452 PolarHBondContact O-N 3.36Å; V449-F452 WeakPolarHBondContact O-CB 3.38Å; V449-F452 PolarHBondContact O-N 3.07Å; W450-F452 VanDerWaalsContact C-N 3.27Å; W450-F452 PolarHBondContact O-N 2.8Å; F452-I454 VanDerWaalsContact C-N 3.26Å; F452-I454 PolarHBondContact O-N 2.85Å; F452-L455 HydrophobicContact CD2-CD2 4.3Å; F452-L455 HydrophobicContact CE2-CD2 4.26Å; F452-L455 WeakPolarHBondContact O-CB 2.95Å; F452-L455 PolarHBondContact O-N 3.32Å; F452-L455 VanDerWaalsContact O-N 3.1Å; F452-L456 HydrophobicContact CD1-CD1 4.19Å; F452-L456 HydrophobicContact CD1-CG 4.2Å; F452-L456 HydrophobicContact CE1-CD1 3.86Å; F452-L456 HydrophobicContact CE1-CD2 3.9Å; F452-L456 HydrophobicContact CE1-CG 3.9Å; F452-L456 HydrophobicContact CZ-CD2 3.86Å; F452-L456 HydrophobicContact CZ-CG 4.3Å; F452-L456 WeakPolarHBondContact O-CG 3.24Å; F452-L456 PolarHBondContact O-N 2.76Å; F452-F513 HydrophobicContact CB-CE1 3.66Å; F452-F513 HydrophobicContact CB-CZ 3.94Å; F452-F513 HydrophobicContact CD1-CE1 4.27Å; F452-F513 AromaticContact CD2-CE1 3.93Å; F452-F513 HydrophobicContact CD2-CE1 3.93Å; F452-F513 AromaticContact CG-CE1 3.69Å; F452-F513 HydrophobicContact CG-CE1 3.69Å; F452-F513 HydrophobicContact CG-CZ 4.47Å; F452-L516 HydrophobicContact CD1-CD1 3.72Å; F452-L516 HydrophobicContact CE1-CB 4.27Å; F452-L516 HydrophobicContact CE1-CD1 4.04Å; F452-L516 HydrophobicContact CE1-CD2 4.41Å; F452-L516 HydrophobicContact CE1-CG 4.48Å; F452-L520 HydrophobicContact CE1-CD1 3.94Å; F452-L520 HydrophobicContact CZ-CD1 3.61Å
453G98.7Very high97.5Very high0 Ų014 Ų140%07%0.073CC..Hα-helixtrans-56.2-41172.200000112.4V449 W450 L456 T457 W503V449-G453 PolarHBondContact O-N 2.86Å; W450-G453 WeakPolarHBondContact O-CA 3.44Å; W450-G453 PolarHBondContact O-N 3.03Å; G453-L456 WeakPolarHBondContact O-CB 3.35Å; G453-L456 PolarHBondContact O-N 3.31Å; G453-T457 PolarHBondContact O-N 3.28Å; G453-W503 VanDerWaalsContact C-CZ2 3.45Å; G453-W503 VanDerWaalsContact O-CZ2 3.25Å; G453-W503 WeakPolarHBondContact O-CZ2 3.28Å
454I98.7Very high97.7Very high0 Ų020.3 Ų20.30%010%0.095CC..Hα-helixtrans-66.9-42.5174.5-55.5-67.9000110.9W432 W450 S451 F452 L456 T457 E458 P466 Y467 M485 W503W432-I454 HydrophobicContact CD2-CG2 4.29Å; W432-I454 HydrophobicContact CG-CB 4.39Å; W432-I454 HydrophobicContact CG-CG2 3.86Å; W450-I454 PolarHBondContact O-N 3.37Å; W450-I454 VanDerWaalsContact O-N 3.14Å; S451-I454 WeakPolarHBondContact O-CB 3.37Å; S451-I454 PolarHBondContact O-N 2.73Å; S451-I454 VanDerWaalsContact O-N 3.16Å; F452-I454 VanDerWaalsContact C-N 3.26Å; F452-I454 PolarHBondContact O-N 2.85Å; I454-L456 VanDerWaalsContact C-N 3.28Å; I454-L456 PolarHBondContact O-N 2.87Å; I454-T457 WeakPolarHBondContact O-CA 3.4Å; I454-T457 WeakPolarHBondContact O-CB 3.24Å; I454-T457 PolarHBondContact O-N 3.44Å; I454-T457 PolarHBondContact O-OG1 3.39Å; I454-E458 PolarHBondContact O-N 3.44Å; I454-E458 VanDerWaalsContact O-N 3.16Å; I454-P466 HydrophobicContact CG2-CB 3.81Å; I454-P466 HydrophobicContact CG2-CG 3.38Å; I454-Y467 HydrophobicContact CD1-CE2 3.84Å; I454-M485 HydrophobicContact CD1-CE 3.55Å; I454-W503 HydrophobicContact CD1-CZ2 3.68Å; I454-W503 HydrophobicContact CG1-CZ2 4.41Å
455L98.7Very high97.7Very high0 Ų021.4 Ų21.40%010%0.102CC..Hα-helixtrans-58.5-37.2175.1177.2151.8000112.6V374 L391 I396 S451 F452 T457 E458 L459V374-L455 HydrophobicContact CG1-CD1 4.22Å; L391-L455 HydrophobicContact CD1-CD1 4.42Å; L391-L455 HydrophobicContact CG-CD1 4.36Å; I396-L455 HydrophobicContact CD1-CD1 4.21Å; I396-L455 HydrophobicContact CG1-CD1 3.73Å; S451-L455 PolarHBondContact O-N 2.77Å; F452-L455 HydrophobicContact CD2-CD2 4.3Å; F452-L455 HydrophobicContact CE2-CD2 4.26Å; F452-L455 WeakPolarHBondContact O-CB 2.95Å; F452-L455 PolarHBondContact O-N 3.32Å; F452-L455 VanDerWaalsContact O-N 3.1Å; L455-T457 VanDerWaalsContact C-N 3.26Å; L455-T457 PolarHBondContact O-N 3.01Å; L455-E458 WeakPolarHBondContact O-CB 3.36Å; L455-E458 PolarHBondContact O-N 2.8Å; L455-E458 VanDerWaalsContact O-N 3.11Å; L455-L459 HydrophobicContact CD2-CD1 3.68Å; L455-L459 HydrophobicContact CD2-CG 4.37Å; L455-L459 PolarHBondContact O-N 2.99Å
456L98.5Very high97.7Very high3 Ų320 Ų202%0.01610%0.095CC..Hα-helixtrans-60.1-37.7173.5-66.8178.8000111.5A371 F452 G453 I454 E458 L459 V460 L495 L498 M499A371-L456 HydrophobicContact CB-CD2 3.52Å; F452-L456 HydrophobicContact CD1-CD1 4.19Å; F452-L456 HydrophobicContact CD1-CG 4.2Å; F452-L456 HydrophobicContact CE1-CD1 3.86Å; F452-L456 HydrophobicContact CE1-CD2 3.9Å; F452-L456 HydrophobicContact CE1-CG 3.9Å; F452-L456 HydrophobicContact CZ-CD2 3.86Å; F452-L456 HydrophobicContact CZ-CG 4.3Å; F452-L456 WeakPolarHBondContact O-CG 3.24Å; F452-L456 PolarHBondContact O-N 2.76Å; G453-L456 WeakPolarHBondContact O-CB 3.35Å; G453-L456 PolarHBondContact O-N 3.31Å; I454-L456 VanDerWaalsContact C-N 3.28Å; I454-L456 PolarHBondContact O-N 2.87Å; L456-E458 VanDerWaalsContact C-N 3.35Å; L456-L459 HydrophobicContact CD2-CD1 4.41Å; L456-L459 PolarHBondContact O-N 3.28Å; L456-V460 WeakPolarHBondContact O-CG2 3.32Å; L456-V460 PolarHBondContact O-N 2.81Å; L456-V460 VanDerWaalsContact O-N 3.14Å; L456-L495 HydrophobicContact CD1-CD1 4.43Å; L456-L498 HydrophobicContact CD1-CD2 4.04Å; L456-M499 HydrophobicContact CB-CE 3.61Å; L456-M499 HydrophobicContact CB-CG 3.9Å; L456-M499 HydrophobicContact CB-SD 4.38Å; L456-M499 HydrophobicContact CD1-CG 3.93Å
457T98Very high97.7Very high6 Ų618.8 Ų18.84%0.0379%0.09CC..Hα-helixtrans-64.7-40.4174.171.80000111.7G453 I454 L455 L459 V460 T461 M485 M499 W503G453-T457 PolarHBondContact O-N 3.28Å; I454-T457 WeakPolarHBondContact O-CA 3.4Å; I454-T457 WeakPolarHBondContact O-CB 3.24Å; I454-T457 PolarHBondContact O-N 3.44Å; I454-T457 PolarHBondContact O-OG1 3.39Å; L455-T457 VanDerWaalsContact C-N 3.26Å; L455-T457 PolarHBondContact O-N 3.01Å; T457-L459 VanDerWaalsContact C-N 3.33Å; T457-L459 PolarHBondContact O-N 2.86Å; T457-V460 PolarHBondContact O-N 3.29Å; T457-T461 VanDerWaalsContact O-CB 3.27Å; T457-T461 WeakPolarHBondContact O-CB 3.36Å; T457-T461 VanDerWaalsContact O-CG2 3.29Å; T457-T461 WeakPolarHBondContact O-CG2 3.36Å; T457-T461 PolarHBondContact O-N 2.89Å; T457-T461 PolarHBondContact O-OG1 3.16Å; T457-M485 HydrophobicContact CG2-CE 3.79Å; T457-M499 HydrophobicContact CG2-CE 4.47Å; T457-M499 HydrophobicContact CG2-SD 3.71Å; T457-W503 HydrophobicContact CG2-CH2 3.45Å; T457-W503 VanDerWaalsContact CG2-CH2 3.45Å; T457-W503 HydrophobicContact CG2-CZ2 3.65Å
458E98.1Very high97.6Very high3 Ų323.9 Ų23.91%0.01412%0.123CC..Hα-helixtrans-60.8-44176.6-61.1-176.391.700110.8S393 W432 I454 L455 L456 T461 K462 G463 P466S393-E458 WeakPolarHBondContact CB-OE1 3.49Å; S393-E458 WeakPolarHBondContact CB-OE2 3.47Å; S393-E458 PolarHBondContact N-OE2 3.07Å; S393-E458 PolarHBondContact OG-OE1 2.74Å; S393-E458 PolarHBondContact OG-OE2 2.99Å; W432-E458 HydrophobicContact CZ2-CG 4.48Å; W432-E458 WeakPolarHBondContact CZ2-OE1 3.37Å; W432-E458 PolarHBondContact NE1-OE2 3.29Å; I454-E458 PolarHBondContact O-N 3.44Å; I454-E458 VanDerWaalsContact O-N 3.16Å; L455-E458 WeakPolarHBondContact O-CB 3.36Å; L455-E458 PolarHBondContact O-N 2.8Å; L455-E458 VanDerWaalsContact O-N 3.11Å; L456-E458 VanDerWaalsContact C-N 3.35Å; E458-T461 PolarHBondContact O-N 2.95Å; E458-K462 PolarHBondContact O-N 3.37Å; E458-G463 PolarHBondContact O-N 2.47Å; E458-P466 HydrophobicContact CG-CG 4.34Å
459L97.9Very high97.5Very high2 Ų228 Ų281%0.0116%0.164CC..Hα-helixtrans-57.8-54.7177.2-82.5165.5000112.1L350 L354 L367 M370 A371 L455 L456 T457 T461 K462L350-L459 HydrophobicContact CD1-CD2 4.21Å; L350-L459 HydrophobicContact CD2-CD2 3.94Å; L350-L459 HydrophobicContact CD2-CG 4.36Å; L350-L459 HydrophobicContact CG-CD2 4.48Å; L354-L459 HydrophobicContact CD1-CD2 4.15Å; L354-L459 HydrophobicContact CD2-CD2 4.45Å; L367-L459 HydrophobicContact CD2-CD2 4.21Å; M370-L459 HydrophobicContact CB-CD2 4.18Å; A371-L459 HydrophobicContact CB-CD1 3.71Å; L455-L459 HydrophobicContact CD2-CD1 3.68Å; L455-L459 HydrophobicContact CD2-CG 4.37Å; L455-L459 PolarHBondContact O-N 2.99Å; L456-L459 HydrophobicContact CD2-CD1 4.41Å; L456-L459 PolarHBondContact O-N 3.28Å; T457-L459 VanDerWaalsContact C-N 3.33Å; T457-L459 PolarHBondContact O-N 2.86Å; L459-T461 VanDerWaalsContact C-N 3.29Å; L459-T461 PolarHBondContact O-N 2.79Å; L459-K462 PolarHBondContact O-N 3.07Å
460V96.6Very high97.3Very high23 Ų2330.2 Ų30.214%0.13918%0.175CC..Hα-helixtrans-72.6-22.3-175.8-57.60000113.1L456 T457 P488 C491 L495 M499L456-V460 WeakPolarHBondContact O-CG2 3.32Å; L456-V460 PolarHBondContact O-N 2.81Å; L456-V460 VanDerWaalsContact O-N 3.14Å; T457-V460 PolarHBondContact O-N 3.29Å; V460-P488 HydrophobicContact CG2-CB 4.13Å; V460-P488 HydrophobicContact CG2-CG 3.89Å; V460-C491 HydrophobicContact CG2-CB 4.36Å; V460-L495 HydrophobicContact CG1-CD2 3.65Å; V460-M499 HydrophobicContact CG1-CE 4.36Å; V460-M499 HydrophobicContact CG2-CE 4.05Å
461T96.7Very high97Very high28 Ų2833.9 Ų33.917%0.17220%0.196CC..THydrogen-bonded Turntrans-99.69.517864.90000114.3T457 E458 L459 G463 R464 P488T457-T461 VanDerWaalsContact O-CB 3.27Å; T457-T461 WeakPolarHBondContact O-CB 3.36Å; T457-T461 VanDerWaalsContact O-CG2 3.29Å; T457-T461 WeakPolarHBondContact O-CG2 3.36Å; T457-T461 PolarHBondContact O-N 2.89Å; T457-T461 PolarHBondContact O-OG1 3.16Å; E458-T461 PolarHBondContact O-N 2.95Å; L459-T461 VanDerWaalsContact C-N 3.29Å; L459-T461 PolarHBondContact O-N 2.79Å; T461-G463 PolarHBondContact O-N 3.25Å; T461-R464 WeakPolarHBondContact O-CG 3.33Å; T461-R464 PolarHBondContact O-N 2.87Å; T461-P488 HydrophobicContact CG2-CB 3.76Å; T461-P488 HydrophobicContact CG2-CG 4.03Å
462K96.3Very high96.7Very high57 Ų5736.4 Ų36.425%0.24821%0.208CC..THydrogen-bonded Turntrans60.442.3179.2-51.1-56.6-169.9172.60113.4L354 G359 L362 E458 L459L354-K462 HydrophobicContact CD2-CD 4.48Å; G359-K462 PolarHBondContact O-NZ 2.72Å; L362-K462 PolarHBondContact O-NZ 2.7Å; E458-K462 PolarHBondContact O-N 3.37Å; L459-K462 PolarHBondContact O-N 3.07Å
463G96Very high96.2Very high1 Ų145.1 Ų45.11%0.0124%0.241CC..SBendtrans78.617176.700000114.2K355 E458 T461 V465K355-G463 WeakPolarHBondContact CE-O 3.22Å; E458-G463 PolarHBondContact O-N 2.47Å; T461-G463 PolarHBondContact O-N 3.25Å; G463-V465 PolarHBondContact O-N 2.99Å
464R96.1Very high96.1Very high179 Ų17949.1 Ų49.168%0.67526%0.26SS*.PPolyproline II helixtrans-58.6144.1173.4-73.9177.5-172.1177.31.7109.9T461T461-R464 WeakPolarHBondContact O-CG 3.33Å; T461-R464 PolarHBondContact O-N 2.87Å
465V95.6Very high95.9Very high77 Ų7749.3 Ų49.347%0.46726%0.261SS..PPolyproline II helixtrans-63.1130.1177.9179.60000108.8K431 G463K431-V465 HydrophobicContact CD-CG1 4.08Å; G463-V465 PolarHBondContact O-N 2.99Å
466P97.5Very high95.5Very high3 Ų351.2 Ų51.22%0.01927%0.271CS..SBendtrans-57.6154.5176.1-25.534.3000112.4K431 W432 I454 E458 M485K431-P466 HydrophobicContact CB-CB 4.32Å; K431-P466 VanDerWaalsContact CD-O 3.31Å; K431-P466 WeakPolarHBondContact CD-O 3.01Å; K431-P466 PolarHBondContact NZ-O 2.94Å; W432-P466 HydrophobicContact CD2-CG 4.44Å; W432-P466 HydrophobicContact CH2-CG 4.11Å; W432-P466 VanDerWaalsContact CZ2-CD 3.41Å; W432-P466 HydrophobicContact CZ2-CG 3.59Å; I454-P466 HydrophobicContact CG2-CB 3.81Å; I454-P466 HydrophobicContact CG2-CG 3.38Å; E458-P466 HydrophobicContact CG-CG 4.34Å; P466-M485 HydrophobicContact CB-CE 4.1Å; P466-M485 HydrophobicContact CB-SD 4.19Å
467Y97.3Very high95.3Very high2 Ų254.3 Ų54.31%0.00829%0.285CS..SBendtrans4863.3-178.9-54.3-83.9000111.9K431 I454 G469 M470 V475 V479 Y483 M485K431-Y467 HydrophobicContact CB-CD2 4.23Å; K431-Y467 HydrophobicContact CG-CD2 4.48Å; K431-Y467 PolarHBondContact NZ-O 3.48Å; K431-Y467 VanDerWaalsContact NZ-O 3.16Å; K431-Y467 WeakPolarHBondContact O-CE2 3.41Å; I454-Y467 HydrophobicContact CD1-CE2 3.84Å; Y467-G469 PolarHBondContact O-N 3.23Å; Y467-M470 HydrophobicContact CD1-SD 4.38Å; Y467-M470 PolarHBondContact O-N 3.38Å; Y467-V475 HydrophobicContact CD1-CG1 4.38Å; Y467-V475 HydrophobicContact CD1-CG2 4.43Å; Y467-V475 HydrophobicContact CD2-CG1 3.71Å; Y467-V475 HydrophobicContact CD2-CG2 4.06Å; Y467-V475 HydrophobicContact CE2-CG1 3.86Å; Y467-V475 HydrophobicContact CG-CG1 3.99Å; Y467-V475 HydrophobicContact CG-CG2 3.76Å; Y467-V479 HydrophobicContact CE1-CG2 3.97Å; Y467-Y483 HydrophobicContact CD1-CD1 4.25Å; Y467-Y483 AromaticContact CD1-CE1 3.81Å; Y467-Y483 HydrophobicContact CD1-CE1 3.81Å; Y467-Y483 HydrophobicContact CE1-CD1 4.06Å; Y467-Y483 AromaticContact CE1-CE1 3.91Å; Y467-Y483 HydrophobicContact CE1-CE1 3.91Å; Y467-M485 HydrophobicContact CD1-CG 3.64Å; Y467-M485 HydrophobicContact CD1-SD 4.21Å; Y467-M485 HydrophobicContact CD2-CE 4.34Å; Y467-M485 HydrophobicContact CD2-SD 4.31Å; Y467-M485 HydrophobicContact CE1-CE 4.36Å; Y467-M485 HydrophobicContact CE1-CG 3.59Å; Y467-M485 HydrophobicContact CE1-SD 4.33Å; Y467-M485 HydrophobicContact CE2-CE 3.94Å; Y467-M485 HydrophobicContact CE2-SD 4.43Å; Y467-M485 HydrophobicContact CG-CG 4.22Å; Y467-M485 HydrophobicContact CG-SD 4.18Å; Y467-M485 PolarHBondContact N-SD 3.49Å
468P95.7Very high95.3Very high110 Ų11057.3 Ų57.371%0.71430%0.299SS*.THydrogen-bonded Turntrans-59.6134.2-176.125.6-34.5000110.6M470P468-M470 VanDerWaalsContact C-N 3.31Å; P468-M470 PolarHBondContact O-N 2.89Å
469G95.7Very high95.2Very high85 Ų8557.6 Ų57.688%0.87630%0.301SS*.THydrogen-bonded Turntrans83.6-5.8-178.800000115.7Y467Y467-G469 PolarHBondContact O-N 3.23Å
470M95.3Very high95Very high47 Ų4762.3 Ų62.323%0.23232%0.323CS..  trans-104137176.2-59.2179.5-174.400111.6K431 Y467 P468 E474 V475 Q478 Y483K431-M470 VanDerWaalsContact CE-O 3.22Å; K431-M470 WeakPolarHBondContact CE-O 3.47Å; K431-M470 PolarHBondContact NZ-O 3.43Å; Y467-M470 HydrophobicContact CD1-SD 4.38Å; Y467-M470 PolarHBondContact O-N 3.38Å; P468-M470 VanDerWaalsContact C-N 3.31Å; P468-M470 PolarHBondContact O-N 2.89Å; M470-E474 WeakPolarHBondContact CA-OE2 3.35Å; M470-E474 HydrophobicContact CB-CB 4.19Å; M470-V475 HydrophobicContact CB-CG2 3.59Å; M470-V475 HydrophobicContact SD-CG2 4.36Å; M470-Q478 HydrophobicContact SD-CG 4.43Å; M470-Y483 HydrophobicContact CE-CE1 4.03Å; M470-Y483 HydrophobicContact CE-CE2 4.49Å
471N92.6Very high94.9Very high81 Ų8170 Ų7043%0.43335%0.35SS..  trans-80.2170.916972.653.4000111.6R473 E474 V475N471-R473 VanDerWaalsContact C-N 3.31Å; N471-R473 PolarHBondContact O-N 3Å; N471-R473 WeakPolarHBondContact OD1-CB 3.45Å; N471-R473 PolarHBondContact OD1-N 2.75Å; N471-E474 VanDerWaalsContact CG-OE2 3.28Å; N471-E474 PolarHBondContact N-OE2 3.24Å; N471-E474 PolarHBondContact ND2-OE1 2.96Å; N471-E474 PolarHBondContact ND2-OE2 2.69Å; N471-E474 PolarHBondContact O-N 2.91Å; N471-E474 PolarHBondContact OD1-N 3.5Å; N471-V475 WeakPolarHBondContact O-CG2 3.42Å; N471-V475 PolarHBondContact O-N 2.86Å
472N91.2Very high94.9Very high57 Ų5771 Ų7131%0.30537%0.365SS..Hα-helixtrans-59-39.1-174.6-72.8-2.2000113.6I430 L476I430-N472 HydrophobicContact CB-CB 4Å; I430-N472 HydrophobicContact CG1-CB 4.16Å; I430-N472 HydrophobicContact CG2-CB 4.03Å; I430-N472 WeakPolarHBondContact CG2-O 3.19Å; N472-L476 PolarHBondContact O-N 2.9Å
473R90.1Very high95Very high184 Ų18472 Ų7269%0.69437%0.368SS*.Hα-helixtrans-67.7-46.5179.2178.2-178.8171.8173.41.2111.1N471 V475 L476 E477N471-R473 VanDerWaalsContact C-N 3.31Å; N471-R473 PolarHBondContact O-N 3Å; N471-R473 WeakPolarHBondContact OD1-CB 3.45Å; N471-R473 PolarHBondContact OD1-N 2.75Å; R473-V475 VanDerWaalsContact C-N 3.31Å; R473-V475 PolarHBondContact O-N 2.84Å; R473-L476 PolarHBondContact O-N 2.96Å; R473-E477 WeakPolarHBondContact CG-OE1 3.43Å; R473-E477 IonicContact CZ-OE1 3.61Å; R473-E477 IonicContact NE-OE1 2.85Å; R473-E477 PolarHBondContact NE-OE1 3.44Å; R473-E477 IonicContact NH2-OE1 3.47Å; R473-E477 PolarHBondContact NH2-OE1 2.97Å; R473-E477 WeakPolarHBondContact O-CG 3.23Å; R473-E477 PolarHBondContact O-N 2.63Å
474E94.6Very high95.1Very high84 Ų8474.2 Ų74.239%0.39338%0.376SS..Hα-helixtrans-60-42.1177.7-70.5167.9157.400111.7M470 N471 L476 E477 Q478M470-E474 WeakPolarHBondContact CA-OE2 3.35Å; M470-E474 HydrophobicContact CB-CB 4.19Å; N471-E474 VanDerWaalsContact CG-OE2 3.28Å; N471-E474 PolarHBondContact N-OE2 3.24Å; N471-E474 PolarHBondContact ND2-OE1 2.96Å; N471-E474 PolarHBondContact ND2-OE2 2.69Å; N471-E474 PolarHBondContact O-N 2.91Å; N471-E474 PolarHBondContact OD1-N 3.5Å; E474-L476 PolarHBondContact O-N 3.07Å; E474-E477 PolarHBondContact O-N 3.43Å; E474-Q478 WeakPolarHBondContact O-CB 3.48Å; E474-Q478 WeakPolarHBondContact O-CG 3.49Å; E474-Q478 PolarHBondContact O-N 3.15Å
475V94.9Very high95.2Very high3 Ų366.5 Ų66.52%0.01835%0.348CS..Hα-helixtrans-59.3-48.3177.1171.40000110.9K431 Y467 M470 N471 R473 E477 Q478 V479K431-V475 HydrophobicContact CG-CG1 4.5Å; K431-V475 HydrophobicContact CG-CG2 4.23Å; Y467-V475 HydrophobicContact CD1-CG1 4.38Å; Y467-V475 HydrophobicContact CD1-CG2 4.43Å; Y467-V475 HydrophobicContact CD2-CG1 3.71Å; Y467-V475 HydrophobicContact CD2-CG2 4.06Å; Y467-V475 HydrophobicContact CE2-CG1 3.86Å; Y467-V475 HydrophobicContact CG-CG1 3.99Å; Y467-V475 HydrophobicContact CG-CG2 3.76Å; M470-V475 HydrophobicContact CB-CG2 3.59Å; M470-V475 HydrophobicContact SD-CG2 4.36Å; N471-V475 WeakPolarHBondContact O-CG2 3.42Å; N471-V475 PolarHBondContact O-N 2.86Å; R473-V475 VanDerWaalsContact C-N 3.31Å; R473-V475 PolarHBondContact O-N 2.84Å; V475-E477 PolarHBondContact O-N 3.33Å; V475-Q478 PolarHBondContact O-N 3.1Å; V475-V479 HydrophobicContact CG1-CG2 4.05Å; V475-V479 VanDerWaalsContact O-CB 3.23Å; V475-V479 WeakPolarHBondContact O-CB 3.22Å; V475-V479 WeakPolarHBondContact O-CG2 3.48Å; V475-V479 PolarHBondContact O-N 3.23Å
476L91.8Very high95.3Very high40 Ų4067.1 Ų67.121%0.20935%0.353CS..Hα-helixtrans-60.4-47.9-179.6-172.461.4000111.6A438 L439 N472 R473 E474 Q478 E480A438-L476 HydrophobicContact CB-CD1 3.79Å; L439-L476 HydrophobicContact CD2-CD1 4.08Å; L439-L476 HydrophobicContact CD2-CD2 3.83Å; L439-L476 HydrophobicContact CD2-CG 4.08Å; L439-L476 HydrophobicContact CG-CD1 4.11Å; N472-L476 PolarHBondContact O-N 2.9Å; R473-L476 PolarHBondContact O-N 2.96Å; E474-L476 PolarHBondContact O-N 3.07Å; L476-Q478 PolarHBondContact O-N 3.2Å; L476-E480 WeakPolarHBondContact O-CB 3.43Å; L476-E480 PolarHBondContact O-N 3.44Å; L476-E480 VanDerWaalsContact O-N 3.07Å
477E93.5Very high95.3Very high68 Ų6869.5 Ų69.532%0.31837%0.369SS..Hα-helixtrans-62.7-42.2179-69.5177.5-170.800112.3R473 E474 V475 R481R473-E477 WeakPolarHBondContact CG-OE1 3.43Å; R473-E477 IonicContact CZ-OE1 3.61Å; R473-E477 IonicContact NE-OE1 2.85Å; R473-E477 PolarHBondContact NE-OE1 3.44Å; R473-E477 IonicContact NH2-OE1 3.47Å; R473-E477 PolarHBondContact NH2-OE1 2.97Å; R473-E477 WeakPolarHBondContact O-CG 3.23Å; R473-E477 PolarHBondContact O-N 2.63Å; E474-E477 PolarHBondContact O-N 3.43Å; V475-E477 PolarHBondContact O-N 3.33Å; E477-R481 VanDerWaalsContact O-CG 3.31Å; E477-R481 WeakPolarHBondContact O-CG 3.36Å; E477-R481 PolarHBondContact O-N 3.32Å
478Q97Very high95.2Very high69 Ų6970.6 Ų70.632%0.32238%0.377SS..Hα-helixtrans-71.7-43.1-179.5-69.6-68.6-7.100111.9M470 E474 V475 L476 E480 R481 G482 Y483M470-Q478 HydrophobicContact SD-CG 4.43Å; E474-Q478 WeakPolarHBondContact O-CB 3.48Å; E474-Q478 WeakPolarHBondContact O-CG 3.49Å; E474-Q478 PolarHBondContact O-N 3.15Å; V475-Q478 PolarHBondContact O-N 3.1Å; L476-Q478 PolarHBondContact O-N 3.2Å; Q478-E480 VanDerWaalsContact C-N 3.3Å; Q478-E480 PolarHBondContact O-N 3.19Å; Q478-R481 CarbonylContact O-C 3.58Å; Q478-R481 WeakPolarHBondContact O-CB 3.12Å; Q478-R481 PolarHBondContact O-N 3.33Å; Q478-R481 VanDerWaalsContact O-N 3.15Å; Q478-G482 PolarHBondContact O-N 2.88Å; Q478-Y483 HydrophobicContact CB-CD1 4.41Å; Q478-Y483 HydrophobicContact CB-CG 4.32Å; Q478-Y483 VanDerWaalsContact O-CB 3.22Å; Q478-Y483 WeakPolarHBondContact O-CB 3.48Å; Q478-Y483 PolarHBondContact O-N 3.27Å
479V96.9Very high95Very high9 Ų972.9 Ų72.96%0.05538%0.378CS..Hα-helixtrans-61.6-40.2178.2165.70000111.1P435 W450 Y467 V475 R481 G482 R484P435-V479 HydrophobicContact CB-CG1 4.25Å; P435-V479 HydrophobicContact CG-CG1 4.26Å; W450-V479 HydrophobicContact CH2-CG1 3.45Å; W450-V479 VanDerWaalsContact CH2-CG1 3.45Å; W450-V479 HydrophobicContact CZ2-CG1 3.56Å; W450-V479 HydrophobicContact CZ2-CG2 4.48Å; Y467-V479 HydrophobicContact CE1-CG2 3.97Å; V475-V479 HydrophobicContact CG1-CG2 4.05Å; V475-V479 VanDerWaalsContact O-CB 3.23Å; V475-V479 WeakPolarHBondContact O-CB 3.22Å; V475-V479 WeakPolarHBondContact O-CG2 3.48Å; V475-V479 PolarHBondContact O-N 3.23Å; V479-R481 VanDerWaalsContact C-N 3.32Å; V479-R481 PolarHBondContact O-N 3.23Å; V479-G482 PolarHBondContact O-N 3.3Å; V479-R484 PolarHBondContact O-NH1 2.97Å
480E93.2Very high94.6Very high101 Ų10175.8 Ų75.847%0.47237%0.373SS..Hα-helixtrans-63.3-37.7175.2-173.4175.8-16000112.1L476 Q478 G482L476-E480 WeakPolarHBondContact O-CB 3.43Å; L476-E480 PolarHBondContact O-N 3.44Å; L476-E480 VanDerWaalsContact O-N 3.07Å; Q478-E480 VanDerWaalsContact C-N 3.3Å; Q478-E480 PolarHBondContact O-N 3.19Å; E480-G482 PolarHBondContact O-N 3.22Å
481R95.9Very high94.5Very high186 Ų18674.1 Ų74.170%0.70237%0.366SS*.THydrogen-bonded Turntrans-71.6-2.9173.1-70.2173.7-177.1171.44.8114.2E477 Q478 V479E477-R481 VanDerWaalsContact O-CG 3.31Å; E477-R481 WeakPolarHBondContact O-CG 3.36Å; E477-R481 PolarHBondContact O-N 3.32Å; Q478-R481 CarbonylContact O-C 3.58Å; Q478-R481 WeakPolarHBondContact O-CB 3.12Å; Q478-R481 PolarHBondContact O-N 3.33Å; Q478-R481 VanDerWaalsContact O-N 3.15Å; V479-R481 VanDerWaalsContact C-N 3.32Å; V479-R481 PolarHBondContact O-N 3.23Å
482G96.5Very high94.5Very high48 Ų4872 Ų7250%0.49536%0.357SS..THydrogen-bonded Turntrans96.83.9176.900000114.8Q478 V479 E480 R484Q478-G482 PolarHBondContact O-N 2.88Å; V479-G482 PolarHBondContact O-N 3.3Å; E480-G482 PolarHBondContact O-N 3.22Å; G482-R484 PolarHBondContact O-N 3.02Å
483Y98Very high94.6Very high78 Ų7875 Ų7531%0.30637%0.372SS..  trans-61.5138.5173.3178-92.2000110.8Y467 M470 Q478Y467-Y483 HydrophobicContact CD1-CD1 4.25Å; Y467-Y483 AromaticContact CD1-CE1 3.81Å; Y467-Y483 HydrophobicContact CD1-CE1 3.81Å; Y467-Y483 HydrophobicContact CE1-CD1 4.06Å; Y467-Y483 AromaticContact CE1-CE1 3.91Å; Y467-Y483 HydrophobicContact CE1-CE1 3.91Å; M470-Y483 HydrophobicContact CE-CE1 4.03Å; M470-Y483 HydrophobicContact CE-CE2 4.49Å; Q478-Y483 HydrophobicContact CB-CD1 4.41Å; Q478-Y483 HydrophobicContact CB-CG 4.32Å; Q478-Y483 VanDerWaalsContact O-CB 3.22Å; Q478-Y483 WeakPolarHBondContact O-CB 3.48Å; Q478-Y483 PolarHBondContact O-N 3.27Å
484R98.1Very high94.6Very high48 Ų4868.6 Ų68.618%0.18136%0.355CS..  trans-133.8150.8170.6-61.5-62.4179.9-93.63.8108.6V479 G482 I500 W503V479-R484 PolarHBondContact O-NH1 2.97Å; G482-R484 PolarHBondContact O-N 3.02Å; R484-I500 HydrophobicContact CB-CD1 3.99Å; R484-I500 HydrophobicContact CG-CD1 4.42Å; R484-W503 HydrophobicContact CB-CE3 4.26Å; R484-W503 VanDerWaalsContact CZ-O 3.3Å; R484-W503 PolarHBondContact NE-O 3.42Å; R484-W503 PolarHBondContact NH2-O 3.48Å
485M97.9Very high94.6Very high16 Ų1664.8 Ų64.88%0.07934%0.337CS..PPolyproline II helixtrans-60.8136.6178.1-72.5-177.2-77.600110.6I454 T457 P466 Y467 H496 W503I454-M485 HydrophobicContact CD1-CE 3.55Å; T457-M485 HydrophobicContact CG2-CE 3.79Å; P466-M485 HydrophobicContact CB-CE 4.1Å; P466-M485 HydrophobicContact CB-SD 4.19Å; Y467-M485 HydrophobicContact CD1-CG 3.64Å; Y467-M485 HydrophobicContact CD1-SD 4.21Å; Y467-M485 HydrophobicContact CD2-CE 4.34Å; Y467-M485 HydrophobicContact CD2-SD 4.31Å; Y467-M485 HydrophobicContact CE1-CE 4.36Å; Y467-M485 HydrophobicContact CE1-CG 3.59Å; Y467-M485 HydrophobicContact CE1-SD 4.33Å; Y467-M485 HydrophobicContact CE2-CE 3.94Å; Y467-M485 HydrophobicContact CE2-SD 4.43Å; Y467-M485 HydrophobicContact CG-CG 4.22Å; Y467-M485 HydrophobicContact CG-SD 4.18Å; Y467-M485 PolarHBondContact N-SD 3.49Å; M485-H496 PolarHBondContact O-NE2 3.11Å; M485-H496 VanDerWaalsContact O-NE2 3.1Å; M485-W503 HydrophobicContact CB-CH2 4.41Å; M485-W503 HydrophobicContact CB-CZ3 4.47Å; M485-W503 HydrophobicContact CE-CH2 3.9Å; M485-W503 HydrophobicContact CE-CZ2 3.91Å
486P97.4Very high94.7Very high91 Ų9166 Ų6659%0.59134%0.343SS*.PPolyproline II helixtrans-65.5163.8174.229.9-35.7000110.8P488P486-P488 VanDerWaalsContact O-CD 3.32Å; P486-P488 WeakPolarHBondContact O-CD 3.44Å
487C97.6Very high94.9Very high52 Ų5269.1 Ų69.135%0.35136%0.356SS..PPolyproline II helixtrans-57.1122.2175.3-172.40000109.9C491 H496C487-C491 PolarHBondContact SG-O 3.01Å; C487-H496 VanDerWaalsContact CA-CD2 3.47Å; C487-H496 WeakPolarHBondContact CA-CD2 3.34Å; C487-H496 HydrophobicContact CB-CB 4.08Å; C487-H496 PolarHBondContact N-NE2 3.29Å
488P95.4Very high95Very high25 Ų2566.1 Ų66.116%0.16234%0.342CS..PPolyproline II helixtrans-61.2152.9176.2-23.534.5000111.9V460 T461 P486 D490 C491V460-P488 HydrophobicContact CG2-CB 4.13Å; V460-P488 HydrophobicContact CG2-CG 3.89Å; T461-P488 HydrophobicContact CG2-CB 3.76Å; T461-P488 HydrophobicContact CG2-CG 4.03Å; P486-P488 VanDerWaalsContact O-CD 3.32Å; P486-P488 WeakPolarHBondContact O-CD 3.44Å; P488-D490 PolarHBondContact O-N 3.31Å; P488-C491 HydrophobicContact CB-CB 4.05Å; P488-C491 HydrophobicContact CG-CB 4.34Å; P488-C491 VanDerWaalsContact O-CB 3.25Å; P488-C491 WeakPolarHBondContact O-CB 3.34Å; P488-C491 PolarHBondContact O-N 3.47Å; P488-C491 VanDerWaalsContact O-N 3.14Å
489Q91.8Very high95.1Very high158 Ų15862.8 Ų62.874%0.73833%0.327SS*.THydrogen-bonded Turntrans-56137.8173.1-171.6178.7-3.800110.5C491Q489-C491 PolarHBondContact O-N 2.78Å; Q489-C491 VanDerWaalsContact O-N 3.09Å
490D87.5Confident95.1Very high147 Ų14765.3 Ų65.379%0.78634%0.339SS*.THydrogen-bonded Turntrans62.85.7-178.3-48.9-44000115.5P488P488-D490 PolarHBondContact O-N 3.31Å
491C92.9Very high95.3Very high12 Ų1265 Ų658%0.08134%0.337CS..  trans-79.4127.9171-176.10000109.8V460 C487 P488 Q489V460-C491 HydrophobicContact CG2-CB 4.36Å; C487-C491 PolarHBondContact SG-O 3.01Å; P488-C491 HydrophobicContact CB-CB 4.05Å; P488-C491 HydrophobicContact CG-CB 4.34Å; P488-C491 VanDerWaalsContact O-CB 3.25Å; P488-C491 WeakPolarHBondContact O-CB 3.34Å; P488-C491 PolarHBondContact O-N 3.47Å; P488-C491 VanDerWaalsContact O-N 3.14Å; Q489-C491 PolarHBondContact O-N 2.78Å; Q489-C491 VanDerWaalsContact O-N 3.09Å
492P92.4Very high95.5Very high37 Ų3756.1 Ų56.124%0.2430%0.304CS..  trans-62.1144171.7-16.226.7000111.2L364 S494 L495 H496 Y523L364-P492 HydrophobicContact CD1-CG 4.36Å; L364-P492 HydrophobicContact CD2-CG 3.37Å; L364-P492 HydrophobicContact CG-CG 4.49Å; P492-S494 VanDerWaalsContact C-N 3.28Å; P492-S494 PolarHBondContact O-N 2.81Å; P492-L495 PolarHBondContact O-N 2.89Å; P492-L495 VanDerWaalsContact O-N 3.12Å; P492-H496 PolarHBondContact O-N 2.86Å; P492-Y523 WeakPolarHBondContact CB-OH 3.35Å; P492-Y523 WeakPolarHBondContact CG-OH 3.42Å
493I92.7Very high95.6Very high120 Ų12054 Ų5462%0.61528%0.281SS*.Hα-helixtrans-57.9-41.9-179-63.5170.7000111L495 H496 E497I493-L495 VanDerWaalsContact C-N 3.26Å; I493-L495 PolarHBondContact O-N 2.87Å; I493-H496 CarbonylContact O-C 3.53Å; I493-H496 WeakPolarHBondContact O-CB 3.38Å; I493-H496 PolarHBondContact O-N 2.54Å; I493-E497 HydrophobicContact CG2-CG 4.17Å; I493-E497 WeakPolarHBondContact O-CG 3.32Å; I493-E497 PolarHBondContact O-N 3.14Å
494S91.8Very high95.6Very high48 Ų4853.9 Ų53.934%0.33628%0.282SS..Hα-helixtrans-61.3-32.618056.80000113.5P492 L498 Y523P492-S494 VanDerWaalsContact C-N 3.28Å; P492-S494 PolarHBondContact O-N 2.81Å; S494-L498 PolarHBondContact O-N 2.86Å; S494-Y523 WeakPolarHBondContact OG-CE2 3.21Å; S494-Y523 PolarHBondContact OG-OH 2.92Å
495L93Very high95.6Very high4 Ų459.2 Ų59.22%0.02131%0.307CS..Hα-helixtrans-76.4-34.9175.7-172.361.1000111.2L364 V368 L456 V460 P492 I493 L498 M499 L520 Y523L364-L495 HydrophobicContact CD1-CD2 4.25Å; V368-L495 HydrophobicContact CG2-CD2 4.39Å; L456-L495 HydrophobicContact CD1-CD1 4.43Å; V460-L495 HydrophobicContact CG1-CD2 3.65Å; P492-L495 PolarHBondContact O-N 2.89Å; P492-L495 VanDerWaalsContact O-N 3.12Å; I493-L495 VanDerWaalsContact C-N 3.26Å; I493-L495 PolarHBondContact O-N 2.87Å; L495-L498 HydrophobicContact CD1-CD2 4.21Å; L495-L498 WeakPolarHBondContact O-CB 3.41Å; L495-L498 PolarHBondContact O-N 3.42Å; L495-M499 HydrophobicContact CD2-CE 4.38Å; L495-M499 HydrophobicContact CG-CE 3.98Å; L495-M499 WeakPolarHBondContact O-CG 3.41Å; L495-M499 PolarHBondContact O-N 2.99Å; L495-L520 HydrophobicContact CD1-CD2 3.88Å; L495-Y523 HydrophobicContact CB-CE2 4.36Å
496H97.4Very high95.5Very high29 Ų2962.1 Ų62.113%0.13432%0.323CS..Hα-helixtrans-67.8-39.3172.5-179.3-113.6000112.1M485 C487 P492 I493 L498 M499 I500M485-H496 PolarHBondContact O-NE2 3.11Å; M485-H496 VanDerWaalsContact O-NE2 3.1Å; C487-H496 VanDerWaalsContact CA-CD2 3.47Å; C487-H496 WeakPolarHBondContact CA-CD2 3.34Å; C487-H496 HydrophobicContact CB-CB 4.08Å; C487-H496 PolarHBondContact N-NE2 3.29Å; P492-H496 PolarHBondContact O-N 2.86Å; I493-H496 CarbonylContact O-C 3.53Å; I493-H496 WeakPolarHBondContact O-CB 3.38Å; I493-H496 PolarHBondContact O-N 2.54Å; H496-L498 VanDerWaalsContact C-N 3.28Å; H496-L498 PolarHBondContact O-N 3.34Å; H496-M499 WeakPolarHBondContact O-CA 3.49Å; H496-M499 WeakPolarHBondContact O-CB 3.28Å; H496-M499 PolarHBondContact O-N 3.33Å; H496-I500 WeakPolarHBondContact O-CG1 3.3Å; H496-I500 PolarHBondContact O-N 3.04Å
497E96.2Very high95.5Very high105 Ų10559.2 Ų59.249%0.49130%0.304SS..Hα-helixtrans-57.3-43171.8-74.3175.2166.100110.9I493 M499 I500 H501I493-E497 HydrophobicContact CG2-CG 4.17Å; I493-E497 WeakPolarHBondContact O-CG 3.32Å; I493-E497 PolarHBondContact O-N 3.14Å; E497-M499 VanDerWaalsContact C-N 3.32Å; E497-M499 PolarHBondContact O-N 3.25Å; E497-I500 PolarHBondContact O-N 3.28Å; E497-I500 VanDerWaalsContact O-N 3.16Å; E497-H501 PolarHBondContact O-N 3.21Å; E497-H501 PolarHBondContact O-ND1 3.19Å
498L95.6Very high95.5Very high5 Ų563.7 Ų63.73%0.02632%0.319CS..Hα-helixtrans-57.4-44.1173.5-164.273.6000111.8L456 S494 L495 H496 I500 H501 C502 Y515 L516 F519 L520L456-L498 HydrophobicContact CD1-CD2 4.04Å; S494-L498 PolarHBondContact O-N 2.86Å; L495-L498 HydrophobicContact CD1-CD2 4.21Å; L495-L498 WeakPolarHBondContact O-CB 3.41Å; L495-L498 PolarHBondContact O-N 3.42Å; H496-L498 VanDerWaalsContact C-N 3.28Å; H496-L498 PolarHBondContact O-N 3.34Å; L498-I500 PolarHBondContact O-N 3.42Å; L498-H501 WeakPolarHBondContact O-CB 3.33Å; L498-H501 PolarHBondContact O-N 3Å; L498-C502 PolarHBondContact O-N 3.21Å; L498-C502 PolarHBondContact O-SG 3.02Å; L498-C502 VanDerWaalsContact O-SG 3.39Å; L498-Y515 HydrophobicContact CD1-CE1 4.03Å; L498-L516 HydrophobicContact CD1-CD2 3.71Å; L498-L516 HydrophobicContact CD2-CD2 3.99Å; L498-L516 HydrophobicContact CG-CD2 3.78Å; L498-F519 HydrophobicContact CB-CE1 4.28Å; L498-F519 HydrophobicContact CD1-CD1 3.76Å; L498-F519 HydrophobicContact CD1-CD2 4.33Å; L498-F519 HydrophobicContact CD1-CE1 3.99Å; L498-F519 HydrophobicContact CD1-CG 3.94Å; L498-F519 HydrophobicContact CD1-CZ 4.37Å; L498-F519 HydrophobicContact CD2-CD1 3.62Å; L498-F519 HydrophobicContact CD2-CE1 3.81Å; L498-F519 HydrophobicContact CG-CD1 4.24Å; L498-F519 HydrophobicContact CG-CE1 4.26Å; L498-L520 HydrophobicContact CD2-CD1 4.49Å; L498-L520 HydrophobicContact CD2-CD2 3.96Å; L498-L520 HydrophobicContact CD2-CG 4.14Å
499M98.5Very high95.7Very high0 Ų067.8 Ų67.80%034%0.337CS..Hα-helixtrans-61.4-42.3175.6-60.1165.3-168.400111.8L456 T457 V460 L495 H496 E497 H501 C502 W503L456-M499 HydrophobicContact CB-CE 3.61Å; L456-M499 HydrophobicContact CB-CG 3.9Å; L456-M499 HydrophobicContact CB-SD 4.38Å; L456-M499 HydrophobicContact CD1-CG 3.93Å; T457-M499 HydrophobicContact CG2-CE 4.47Å; T457-M499 HydrophobicContact CG2-SD 3.71Å; V460-M499 HydrophobicContact CG1-CE 4.36Å; V460-M499 HydrophobicContact CG2-CE 4.05Å; L495-M499 HydrophobicContact CD2-CE 4.38Å; L495-M499 HydrophobicContact CG-CE 3.98Å; L495-M499 WeakPolarHBondContact O-CG 3.41Å; L495-M499 PolarHBondContact O-N 2.99Å; H496-M499 WeakPolarHBondContact O-CA 3.49Å; H496-M499 WeakPolarHBondContact O-CB 3.28Å; H496-M499 PolarHBondContact O-N 3.33Å; E497-M499 VanDerWaalsContact C-N 3.32Å; E497-M499 PolarHBondContact O-N 3.25Å; M499-H501 VanDerWaalsContact C-N 3.31Å; M499-H501 PolarHBondContact O-N 3.46Å; M499-C502 WeakPolarHBondContact O-CB 3.39Å; M499-C502 PolarHBondContact O-N 3.23Å; M499-C502 VanDerWaalsContact O-N 3.12Å; M499-W503 HydrophobicContact CB-CE3 4.2Å; M499-W503 HydrophobicContact CB-CH2 3.64Å; M499-W503 HydrophobicContact CB-CZ2 3.98Å; M499-W503 HydrophobicContact CB-CZ3 3.76Å; M499-W503 HydrophobicContact CG-CH2 4.29Å; M499-W503 PolarHBondContact O-N 3.48Å; M499-W503 HydrophobicContact SD-CH2 4.23Å
500I98.4Very high96Very high61 Ų6160.4 Ų60.431%0.31330%0.302SS..Hα-helixtrans-62.1-38.3177-66-69.3000111.3R484 H496 E497 L498 W503 K504R484-I500 HydrophobicContact CB-CD1 3.99Å; R484-I500 HydrophobicContact CG-CD1 4.42Å; H496-I500 WeakPolarHBondContact O-CG1 3.3Å; H496-I500 PolarHBondContact O-N 3.04Å; E497-I500 PolarHBondContact O-N 3.28Å; E497-I500 VanDerWaalsContact O-N 3.16Å; L498-I500 PolarHBondContact O-N 3.42Å; I500-W503 HydrophobicContact CD1-CE3 4.15Å; I500-W503 HydrophobicContact CD1-CZ3 4.35Å; I500-W503 CarbonylContact O-C 3.52Å; I500-W503 PolarHBondContact O-N 3.42Å; I500-K504 PolarHBondContact O-N 2.99Å
501H97.7Very high96.5Very high94 Ų9454.4 Ų54.444%0.43527%0.271SS..Hα-helixtrans-64.2-39.4172.9-72.286.7000111.9E497 L498 M499 W503 K504 P511E497-H501 PolarHBondContact O-N 3.21Å; E497-H501 PolarHBondContact O-ND1 3.19Å; L498-H501 WeakPolarHBondContact O-CB 3.33Å; L498-H501 PolarHBondContact O-N 3Å; M499-H501 VanDerWaalsContact C-N 3.31Å; M499-H501 PolarHBondContact O-N 3.46Å; H501-W503 PolarHBondContact O-N 2.91Å; H501-K504 VanDerWaalsContact O-CG 3.31Å; H501-K504 WeakPolarHBondContact O-CG 3.44Å; H501-K504 PolarHBondContact O-N 3.42Å; H501-P511 WeakPolarHBondContact O-CD 3.35Å
502C98.7Very high96.8Very high0 Ų056.4 Ų56.40%028%0.283CS..Hα-helixtrans-63.4-28173.2-66.20000113.1V449 W450 L498 M499 R510V449-C502 HydrophobicContact CG1-CB 4.07Å; V449-C502 WeakPolarHBondContact O-CB 3.42Å; W450-C502 WeakPolarHBondContact CA-O 3.06Å; L498-C502 PolarHBondContact O-N 3.21Å; L498-C502 PolarHBondContact O-SG 3.02Å; L498-C502 VanDerWaalsContact O-SG 3.39Å; M499-C502 WeakPolarHBondContact O-CB 3.39Å; M499-C502 PolarHBondContact O-N 3.23Å; M499-C502 VanDerWaalsContact O-N 3.12Å; C502-R510 VanDerWaalsContact O-CD 3.27Å; C502-R510 WeakPolarHBondContact O-CD 3.22Å
503W98.6Very high97.1Very high3 Ų354.6 Ų54.61%0.01127%0.271CS..THydrogen-bonded Turntrans-101.121.9-177.7-53-39.2000114.6W450 G453 I454 T457 R484 M485 M499 I500 H501 K505W450-W503 AromaticContact CD2-CD1 3.69Å; W450-W503 HydrophobicContact CD2-CG 4.44Å; W450-W503 AromaticContact CE2-CD1 3.84Å; W450-W503 HydrophobicContact CE3-CB 4.04Å; W450-W503 HydrophobicContact CE3-CG 4.43Å; W450-W503 AromaticContact CG-CD1 3.97Å; W450-W503 HydrophobicContact CH2-CB 4.03Å; W450-W503 HydrophobicContact CH2-CG 4.48Å; W450-W503 HydrophobicContact CZ3-CB 3.79Å; W450-W503 HydrophobicContact CZ3-CG 4.46Å; W450-W503 WeakPolarHBondContact CZ3-O 3.46Å; W450-W503 PolarHBondContact O-NE1 3.26Å; G453-W503 VanDerWaalsContact C-CZ2 3.45Å; G453-W503 VanDerWaalsContact O-CZ2 3.25Å; G453-W503 WeakPolarHBondContact O-CZ2 3.28Å; I454-W503 HydrophobicContact CD1-CZ2 3.68Å; I454-W503 HydrophobicContact CG1-CZ2 4.41Å; T457-W503 HydrophobicContact CG2-CH2 3.45Å; T457-W503 VanDerWaalsContact CG2-CH2 3.45Å; T457-W503 HydrophobicContact CG2-CZ2 3.65Å; R484-W503 HydrophobicContact CB-CE3 4.26Å; R484-W503 VanDerWaalsContact CZ-O 3.3Å; R484-W503 PolarHBondContact NE-O 3.42Å; R484-W503 PolarHBondContact NH2-O 3.48Å; M485-W503 HydrophobicContact CB-CH2 4.41Å; M485-W503 HydrophobicContact CB-CZ3 4.47Å; M485-W503 HydrophobicContact CE-CH2 3.9Å; M485-W503 HydrophobicContact CE-CZ2 3.91Å; M499-W503 HydrophobicContact CB-CE3 4.2Å; M499-W503 HydrophobicContact CB-CH2 3.64Å; M499-W503 HydrophobicContact CB-CZ2 3.98Å; M499-W503 HydrophobicContact CB-CZ3 3.76Å; M499-W503 HydrophobicContact CG-CH2 4.29Å; M499-W503 PolarHBondContact O-N 3.48Å; M499-W503 HydrophobicContact SD-CH2 4.23Å; I500-W503 HydrophobicContact CD1-CE3 4.15Å; I500-W503 HydrophobicContact CD1-CZ3 4.35Å; I500-W503 CarbonylContact O-C 3.52Å; I500-W503 PolarHBondContact O-N 3.42Å; H501-W503 PolarHBondContact O-N 2.91Å; W503-K505 PolarHBondContact O-N 3.07Å
504K98.4Very high97.2Very high76 Ų7655.1 Ų55.133%0.3327%0.271SS..  trans-55.1140.4169.6-71.9-68.9-164.1150.30110.8I500 H501 E509 R510I500-K504 PolarHBondContact O-N 2.99Å; H501-K504 VanDerWaalsContact O-CG 3.31Å; H501-K504 WeakPolarHBondContact O-CG 3.44Å; H501-K504 PolarHBondContact O-N 3.42Å; K504-E509 HydrophobicContact CB-CB 3.91Å; K504-E509 WeakPolarHBondContact CD-OE2 3.3Å; K504-E509 HydrophobicContact CG-CB 4.07Å; K504-E509 IonicContact NZ-OE2 3.77Å; K504-R510 HydrophobicContact CB-CG 4Å; K504-R510 PolarHBondContact O-NE 2.82Å; K504-R510 PolarHBondContact O-NH2 3.47Å
505K97Very high97.4Very high160 Ų16058.5 Ų58.570%0.69628%0.277SS*.SBendtrans-63.6-47.4-177.5-177.8176.8179.5174.20110.4W503 P507W503-K505 PolarHBondContact O-N 3.07Å; K505-P507 WeakPolarHBondContact O-CD 3.32Å
506D97.2Very high97.6Very high78 Ų7858.3 Ų58.342%0.41728%0.276SS..SBendtrans-73.9121.4171.6-170.2-15.3000109.7E508 E509D506-E508 PolarHBondContact O-N 3.39Å; D506-E508 PolarHBondContact OD1-N 3.07Å; D506-E509 HydrophobicContact CB-CB 4.33Å; D506-E509 HydrophobicContact CB-CG 4Å; D506-E509 PolarHBondContact O-N 2.94Å
507P98Very high97.5Very high30 Ų3058.8 Ų58.820%0.19528%0.279CS..G310 helixtrans-56.6-32.9175.5-24.835.2000114.1E436 K446 K505 E509 R510E436-P507 HydrophobicContact CG-CG 4.03Å; K446-P507 HydrophobicContact CB-CB 3.81Å; K446-P507 WeakPolarHBondContact CD-O 3.18Å; K446-P507 HydrophobicContact CG-CB 4.38Å; K446-P507 WeakPolarHBondContact CG-O 3.38Å; K505-P507 WeakPolarHBondContact O-CD 3.32Å; P507-E509 VanDerWaalsContact C-N 3.3Å; P507-E509 PolarHBondContact O-N 3.49Å; P507-R510 WeakPolarHBondContact O-CB 3.44Å; P507-R510 PolarHBondContact O-N 3.24Å
508E97.5Very high97.1Very high145 Ų14556.4 Ų56.468%0.67827%0.273SS*.G310 helixtrans-74-22.6-176.6-61.9-53.6126.800112.6D506 R510D506-E508 PolarHBondContact O-N 3.39Å; D506-E508 PolarHBondContact OD1-N 3.07Å; E508-R510 VanDerWaalsContact C-N 3.28Å; E508-R510 PolarHBondContact O-N 3.47Å
509E98.2Very high96.9Very high112 Ų11258.9 Ų58.952%0.52328%0.284SS..G310 helixtrans-77.5-11.5173.4-71.1-171.2-177.200113.4K504 D506 P507K504-E509 HydrophobicContact CB-CB 3.91Å; K504-E509 WeakPolarHBondContact CD-OE2 3.3Å; K504-E509 HydrophobicContact CG-CB 4.07Å; K504-E509 IonicContact NZ-OE2 3.77Å; D506-E509 HydrophobicContact CB-CB 4.33Å; D506-E509 HydrophobicContact CB-CG 4Å; D506-E509 PolarHBondContact O-N 2.94Å; P507-E509 VanDerWaalsContact C-N 3.3Å; P507-E509 PolarHBondContact O-N 3.49Å
510R98.6Very high96.7Very high3 Ų359 Ų591%0.01129%0.285CS..SBendtrans-74.4145.6178.8-58174-167.2155.49.1109.5E436 K446 V449 C502 K504 P507 E508E436-R510 IonicContact OE1-CZ 3.7Å; E436-R510 IonicContact OE1-NH1 2.69Å; E436-R510 PolarHBondContact OE1-NH1 3.24Å; E436-R510 IonicContact OE1-NH2 2.82Å; E436-R510 PolarHBondContact OE1-NH2 3.21Å; E436-R510 IonicContact OE2-CZ 2.61Å; E436-R510 IonicContact OE2-NH1 2.8Å; E436-R510 IonicContact OE2-NH2 2.9Å; E436-R510 PolarHBondContact OE2-NH2 2.96Å; K446-R510 HydrophobicContact CD-CB 4.31Å; K446-R510 PolarHBondContact NZ-O 3.04Å; K446-R510 WeakPolarHBondContact O-CD 3.48Å; K446-R510 PolarHBondContact O-NH1 2.86Å; V449-R510 HydrophobicContact CB-CB 4.48Å; V449-R510 HydrophobicContact CG1-CB 3.87Å; C502-R510 VanDerWaalsContact O-CD 3.27Å; C502-R510 WeakPolarHBondContact O-CD 3.22Å; K504-R510 HydrophobicContact CB-CG 4Å; K504-R510 PolarHBondContact O-NE 2.82Å; K504-R510 PolarHBondContact O-NH2 3.47Å; P507-R510 WeakPolarHBondContact O-CB 3.44Å; P507-R510 PolarHBondContact O-N 3.24Å; E508-R510 VanDerWaalsContact C-N 3.28Å; E508-R510 PolarHBondContact O-N 3.47Å
511P98.3Very high96.1Very high20 Ų2058.8 Ų58.813%0.1328%0.282CS..PPolyproline II helixtrans-63.7168.7-179.627-34.7000112.4K446 V449 H501 Y515 L516K446-P511 PolarHBondContact NZ-O 2.91Å; V449-P511 HydrophobicContact CG1-CG 4.11Å; V449-P511 WeakPolarHBondContact CG2-O 3.27Å; H501-P511 WeakPolarHBondContact O-CD 3.35Å; P511-Y515 HydrophobicContact CB-CD1 3.64Å; P511-Y515 HydrophobicContact CB-CE1 4.36Å; P511-Y515 HydrophobicContact CB-CG 4.34Å; P511-L516 HydrophobicContact CB-CD2 4.35Å; P511-L516 HydrophobicContact CB-CG 4.29Å; P511-L516 HydrophobicContact CG-CD1 4.25Å; P511-L516 HydrophobicContact CG-CD2 3.73Å; P511-L516 HydrophobicContact CG-CG 3.98Å
512T98.5Very high95.4Very high54 Ų5458.1 Ų58.133%0.33128%0.282SS..PPolyproline II helixtrans-83160.3166.3590000110.1E514 Y515 L516T512-E514 VanDerWaalsContact C-N 3.26Å; T512-E514 PolarHBondContact O-N 2.61Å; T512-Y515 PolarHBondContact O-N 2.9Å; T512-Y515 PolarHBondContact OG1-N 3.09Å; T512-L516 WeakPolarHBondContact O-CG 3.38Å; T512-L516 PolarHBondContact O-N 2.96Å; T512-L516 VanDerWaalsContact O-N 3.1Å
513F98.6Very high94.8Very high0 Ų060 Ų600%029%0.289CS..Hα-helixtrans-69.1-28.1173.7-83.2-72.5000112.3M378 A379 E382 L391 I445 D448 V449 F452 Y515 L516 Q517M378-F513 HydrophobicContact CB-CB 4.19Å; M378-F513 HydrophobicContact CB-CD1 3.28Å; M378-F513 HydrophobicContact CB-CD2 3.75Å; M378-F513 HydrophobicContact CB-CE1 3.37Å; M378-F513 HydrophobicContact CB-CE2 3.83Å; M378-F513 HydrophobicContact CB-CG 3.47Å; M378-F513 VanDerWaalsContact CB-CG 3.47Å; M378-F513 HydrophobicContact CB-CZ 3.64Å; M378-F513 HydrophobicContact CE-CD2 4.27Å; M378-F513 HydrophobicContact CE-CE2 3.53Å; M378-F513 HydrophobicContact CE-CZ 3.67Å; M378-F513 HydrophobicContact CG-CD1 4.12Å; M378-F513 HydrophobicContact CG-CE1 3.68Å; M378-F513 HydrophobicContact CG-CE2 4.3Å; M378-F513 HydrophobicContact CG-CZ 3.78Å; A379-F513 HydrophobicContact CB-CB 3.9Å; E382-F513 PolarHBondContact OE1-N 3.49Å; E382-F513 PolarHBondContact OE2-N 2.82Å; L391-F513 HydrophobicContact CD2-CZ 4.22Å; I445-F513 HydrophobicContact CD1-CD2 3.83Å; I445-F513 HydrophobicContact CD1-CE2 3.74Å; I445-F513 HydrophobicContact CG1-CD2 3.92Å; I445-F513 HydrophobicContact CG1-CE2 4.04Å; D448-F513 HydrophobicContact CB-CE2 3.99Å; D448-F513 HydrophobicContact CB-CZ 4.14Å; V449-F513 HydrophobicContact CB-CE2 4.42Å; V449-F513 HydrophobicContact CB-CZ 4.46Å; V449-F513 HydrophobicContact CG2-CD2 3.8Å; V449-F513 HydrophobicContact CG2-CE2 3.5Å; V449-F513 VanDerWaalsContact CG2-CE2 3.5Å; V449-F513 HydrophobicContact CG2-CG 4.44Å; V449-F513 HydrophobicContact CG2-CZ 3.91Å; F452-F513 HydrophobicContact CB-CE1 3.66Å; F452-F513 HydrophobicContact CB-CZ 3.94Å; F452-F513 HydrophobicContact CD1-CE1 4.27Å; F452-F513 AromaticContact CD2-CE1 3.93Å; F452-F513 HydrophobicContact CD2-CE1 3.93Å; F452-F513 AromaticContact CG-CE1 3.69Å; F452-F513 HydrophobicContact CG-CE1 3.69Å; F452-F513 HydrophobicContact CG-CZ 4.47Å; F513-Y515 VanDerWaalsContact C-N 3.34Å; F513-Y515 PolarHBondContact O-N 3.47Å; F513-L516 HydrophobicContact CD1-CD1 3.79Å; F513-L516 HydrophobicContact CE1-CD1 4.05Å; F513-L516 HydrophobicContact CG-CD1 4.45Å; F513-L516 PolarHBondContact O-N 2.67Å; F513-Q517 WeakPolarHBondContact O-CB 3.31Å; F513-Q517 PolarHBondContact O-N 3.23Å
514E95.6Very high93.8Very high130 Ų13064.9 Ų64.961%0.60731%0.311SS*.Hα-helixtrans-58.3-43.8170.2-176.7174.4-152.200112.4E382 T512 S518E382-E514 PolarHBondContact OE2-N 3.16Å; T512-E514 VanDerWaalsContact C-N 3.26Å; T512-E514 PolarHBondContact O-N 2.61Å; E514-S518 PolarHBondContact O-N 3.42Å; E514-S518 VanDerWaalsContact O-N 3.09Å; E514-S518 PolarHBondContact O-OG 3.41Å; E514-S518 VanDerWaalsContact O-OG 3.04Å
515Y96.2Very high92.3Very high119 Ų11963.1 Ų63.147%0.46731%0.307SS..Hα-helixtrans-65.6-45.2174.1175.1-93.3000111.6L498 P511 T512 F513 Q517 S518 F519L498-Y515 HydrophobicContact CD1-CE1 4.03Å; P511-Y515 HydrophobicContact CB-CD1 3.64Å; P511-Y515 HydrophobicContact CB-CE1 4.36Å; P511-Y515 HydrophobicContact CB-CG 4.34Å; T512-Y515 PolarHBondContact O-N 2.9Å; T512-Y515 PolarHBondContact OG1-N 3.09Å; F513-Y515 VanDerWaalsContact C-N 3.34Å; F513-Y515 PolarHBondContact O-N 3.47Å; Y515-Q517 VanDerWaalsContact C-N 3.32Å; Y515-Q517 PolarHBondContact O-N 3.25Å; Y515-S518 WeakPolarHBondContact CA-OG 3.25Å; Y515-S518 PolarHBondContact O-N 2.9Å; Y515-S518 PolarHBondContact O-OG 2.9Å; Y515-F519 HydrophobicContact CE1-CB 4.43Å; Y515-F519 WeakPolarHBondContact O-CB 3.28Å; Y515-F519 PolarHBondContact O-N 3.47Å
516L97Very high90.3Very high0 Ų060.1 Ų60.10%031%0.311CS..Hα-helixtrans-61.1-41.7179.1-67.5171.1000111.9A375 V449 F452 L498 P511 T512 F513 L520A375-L516 HydrophobicContact CB-CB 4.38Å; V449-L516 HydrophobicContact CG1-CD1 4.13Å; F452-L516 HydrophobicContact CD1-CD1 3.72Å; F452-L516 HydrophobicContact CE1-CB 4.27Å; F452-L516 HydrophobicContact CE1-CD1 4.04Å; F452-L516 HydrophobicContact CE1-CD2 4.41Å; F452-L516 HydrophobicContact CE1-CG 4.48Å; L498-L516 HydrophobicContact CD1-CD2 3.71Å; L498-L516 HydrophobicContact CD2-CD2 3.99Å; L498-L516 HydrophobicContact CG-CD2 3.78Å; P511-L516 HydrophobicContact CB-CD2 4.35Å; P511-L516 HydrophobicContact CB-CG 4.29Å; P511-L516 HydrophobicContact CG-CD1 4.25Å; P511-L516 HydrophobicContact CG-CD2 3.73Å; P511-L516 HydrophobicContact CG-CG 3.98Å; T512-L516 WeakPolarHBondContact O-CG 3.38Å; T512-L516 PolarHBondContact O-N 2.96Å; T512-L516 VanDerWaalsContact O-N 3.1Å; F513-L516 HydrophobicContact CD1-CD1 3.79Å; F513-L516 HydrophobicContact CE1-CD1 4.05Å; F513-L516 HydrophobicContact CG-CD1 4.45Å; F513-L516 PolarHBondContact O-N 2.67Å; L516-L520 WeakPolarHBondContact O-CB 3.37Å; L516-L520 WeakPolarHBondContact O-CD1 3.41Å; L516-L520 VanDerWaalsContact O-CG 3.23Å; L516-L520 WeakPolarHBondContact O-CG 2.93Å; L516-L520 PolarHBondContact O-N 3.02Å; L516-L520 VanDerWaalsContact O-N 3.08Å
517Q95Very high88Confident40 Ų4062.9 Ų62.919%0.18733%0.331CS..Hα-helixtrans-59.6-56.1175.6179.7-171.3-6.500110.7A375 A376 F513 Y515 F519 L520 E521A375-Q517 HydrophobicContact CB-CB 4.05Å; A376-Q517 HydrophobicContact CB-CG 4.05Å; F513-Q517 WeakPolarHBondContact O-CB 3.31Å; F513-Q517 PolarHBondContact O-N 3.23Å; Y515-Q517 VanDerWaalsContact C-N 3.32Å; Y515-Q517 PolarHBondContact O-N 3.25Å; Q517-F519 PolarHBondContact O-N 2.87Å; Q517-L520 PolarHBondContact O-N 3.39Å; Q517-E521 HydrophobicContact CG-CG 4.32Å; Q517-E521 WeakPolarHBondContact CG-OE1 3.3Å; Q517-E521 PolarHBondContact NE2-OE1 3.47Å; Q517-E521 WeakPolarHBondContact O-CB 3.18Å; Q517-E521 WeakPolarHBondContact O-CG 3.48Å; Q517-E521 PolarHBondContact O-N 3.37Å
518S88.6Confident86Confident54 Ų5465.8 Ų65.838%0.37834%0.342SS..Hα-helixtrans-59.7-44.2-17852.90000112.3E514 Y515 L520 E521 D522E514-S518 PolarHBondContact O-N 3.42Å; E514-S518 VanDerWaalsContact O-N 3.09Å; E514-S518 PolarHBondContact O-OG 3.41Å; E514-S518 VanDerWaalsContact O-OG 3.04Å; Y515-S518 WeakPolarHBondContact CA-OG 3.25Å; Y515-S518 PolarHBondContact O-N 2.9Å; Y515-S518 PolarHBondContact O-OG 2.9Å; S518-L520 PolarHBondContact O-N 3.13Å; S518-E521 PolarHBondContact O-N 2.84Å; S518-D522 PolarHBondContact O-N 2.85Å; S518-D522 VanDerWaalsContact O-N 3.09Å
519F91.4Very high84.4Confident57 Ų5762.8 Ų62.825%0.2534%0.335CS..Hα-helixtrans-58.2-44.9176.2-179.2-84.9000112.5L498 Y515 Q517 Y523L498-F519 HydrophobicContact CB-CE1 4.28Å; L498-F519 HydrophobicContact CD1-CD1 3.76Å; L498-F519 HydrophobicContact CD1-CD2 4.33Å; L498-F519 HydrophobicContact CD1-CE1 3.99Å; L498-F519 HydrophobicContact CD1-CG 3.94Å; L498-F519 HydrophobicContact CD1-CZ 4.37Å; L498-F519 HydrophobicContact CD2-CD1 3.62Å; L498-F519 HydrophobicContact CD2-CE1 3.81Å; L498-F519 HydrophobicContact CG-CD1 4.24Å; L498-F519 HydrophobicContact CG-CE1 4.26Å; Y515-F519 HydrophobicContact CE1-CB 4.43Å; Y515-F519 WeakPolarHBondContact O-CB 3.28Å; Y515-F519 PolarHBondContact O-N 3.47Å; Q517-F519 PolarHBondContact O-N 2.87Å; F519-Y523 HydrophobicContact CD1-CD2 4.2Å; F519-Y523 AromaticContact CE1-CD2 3.53Å; F519-Y523 HydrophobicContact CE1-CD2 3.53Å; F519-Y523 AromaticContact CE1-CE2 3.76Å; F519-Y523 HydrophobicContact CE1-CE2 3.76Å; F519-Y523 HydrophobicContact CZ-CD2 4.06Å; F519-Y523 HydrophobicContact CZ-CE2 4.08Å; F519-Y523 WeakPolarHBondContact O-CA 3.47Å; F519-Y523 PolarHBondContact O-N 3.15Å; F519-Y523 VanDerWaalsContact O-N 3.13Å
520L92.4Very high83.1Confident4 Ų463 Ų632%0.02134%0.336CS..Hα-helixtrans-75.6-35.8-177-70166.7000112.5V368 A371 A372 A375 F452 L495 L498 L516 Q517 S518 D522 Y523V368-L520 HydrophobicContact CG1-CD2 4.13Å; V368-L520 WeakPolarHBondContact CG1-O 3.29Å; A371-L520 HydrophobicContact CB-CD1 3.85Å; A371-L520 HydrophobicContact CB-CD2 4.28Å; A372-L520 HydrophobicContact CB-CB 3.78Å; A375-L520 HydrophobicContact CB-CD1 4.15Å; F452-L520 HydrophobicContact CE1-CD1 3.94Å; F452-L520 HydrophobicContact CZ-CD1 3.61Å; L495-L520 HydrophobicContact CD1-CD2 3.88Å; L498-L520 HydrophobicContact CD2-CD1 4.49Å; L498-L520 HydrophobicContact CD2-CD2 3.96Å; L498-L520 HydrophobicContact CD2-CG 4.14Å; L516-L520 WeakPolarHBondContact O-CB 3.37Å; L516-L520 WeakPolarHBondContact O-CD1 3.41Å; L516-L520 VanDerWaalsContact O-CG 3.23Å; L516-L520 WeakPolarHBondContact O-CG 2.93Å; L516-L520 PolarHBondContact O-N 3.02Å; L516-L520 VanDerWaalsContact O-N 3.08Å; Q517-L520 PolarHBondContact O-N 3.39Å; S518-L520 PolarHBondContact O-N 3.13Å; L520-D522 VanDerWaalsContact C-N 3.31Å; L520-D522 PolarHBondContact O-N 3.04Å; L520-Y523 WeakPolarHBondContact O-CB 3.02Å; L520-Y523 PolarHBondContact O-N 3.11Å
521E87.1Confident82.1Confident55 Ų5564.9 Ų64.926%0.25734%0.344SS..Hα-helixtrans-63.4-39.3175-74.7179.8175.600111.4K157 A372 Q517 S518K157-E521 WeakPolarHBondContact CE-O 3.45Å; K157-E521 HydrophobicContact CG-CB 4.24Å; K157-E521 HydrophobicContact CG-CG 4.3Å; K157-E521 PolarHBondContact NZ-O 3Å; A372-E521 HydrophobicContact CB-CG 4Å; Q517-E521 HydrophobicContact CG-CG 4.32Å; Q517-E521 WeakPolarHBondContact CG-OE1 3.3Å; Q517-E521 PolarHBondContact NE2-OE1 3.47Å; Q517-E521 WeakPolarHBondContact O-CB 3.18Å; Q517-E521 WeakPolarHBondContact O-CG 3.48Å; Q517-E521 PolarHBondContact O-N 3.37Å; S518-E521 PolarHBondContact O-N 2.84Å
522D82.8Confident81.2Confident80 Ų8066.9 Ų66.943%0.42835%0.351SS..THydrogen-bonded Turntrans-934.6-177.9-74.4-32.9000114.9S518 L520 F524 T525S518-D522 PolarHBondContact O-N 2.85Å; S518-D522 VanDerWaalsContact O-N 3.09Å; L520-D522 VanDerWaalsContact C-N 3.31Å; L520-D522 PolarHBondContact O-N 3.04Å; D522-F524 PolarHBondContact O-N 3.35Å; D522-T525 WeakPolarHBondContact CA-OG1 3.41Å; D522-T525 PolarHBondContact O-N 3.3Å; D522-T525 PolarHBondContact O-OG1 3.01Å; D522-T525 PolarHBondContact OD1-OG1 3.42Å
523Y85.8Confident79.9Confident39 Ų3967.4 Ų67.415%0.15336%0.356CS..THydrogen-bonded Turntrans-54-32.5-170.5-169.3-101.4000114.6V368 P492 S494 L495 F519 L520V368-Y523 HydrophobicContact CG1-CD1 3.97Å; V368-Y523 HydrophobicContact CG1-CG 3.95Å; V368-Y523 HydrophobicContact CG2-CD1 4.01Å; V368-Y523 HydrophobicContact CG2-CE1 4.16Å; P492-Y523 WeakPolarHBondContact CB-OH 3.35Å; P492-Y523 WeakPolarHBondContact CG-OH 3.42Å; S494-Y523 WeakPolarHBondContact OG-CE2 3.21Å; S494-Y523 PolarHBondContact OG-OH 2.92Å; L495-Y523 HydrophobicContact CB-CE2 4.36Å; F519-Y523 HydrophobicContact CD1-CD2 4.2Å; F519-Y523 AromaticContact CE1-CD2 3.53Å; F519-Y523 HydrophobicContact CE1-CD2 3.53Å; F519-Y523 AromaticContact CE1-CE2 3.76Å; F519-Y523 HydrophobicContact CE1-CE2 3.76Å; F519-Y523 HydrophobicContact CZ-CD2 4.06Å; F519-Y523 HydrophobicContact CZ-CE2 4.08Å; F519-Y523 WeakPolarHBondContact O-CA 3.47Å; F519-Y523 PolarHBondContact O-N 3.15Å; F519-Y523 VanDerWaalsContact O-N 3.13Å; L520-Y523 WeakPolarHBondContact O-CB 3.02Å; L520-Y523 PolarHBondContact O-N 3.11Å
524F77Confident78Confident107 Ų10768.5 Ų68.547%0.46937%0.367SS..THydrogen-bonded Turntrans-108.1-7.9177.6-60.5-74.9000114.4L364 P365 V368 D522L364-F524 HydrophobicContact CD2-CE1 4.48Å; L364-F524 HydrophobicContact CD2-CZ 4.2Å; L364-F524 HydrophobicContact CG-CZ 4.19Å; P365-F524 HydrophobicContact CB-CE2 3.98Å; P365-F524 HydrophobicContact CB-CZ 4.2Å; P365-F524 HydrophobicContact CG-CE1 4.47Å; P365-F524 HydrophobicContact CG-CE2 4.27Å; P365-F524 HydrophobicContact CG-CZ 3.99Å; V368-F524 HydrophobicContact CB-CE2 3.92Å; V368-F524 HydrophobicContact CG1-CE2 4.04Å; V368-F524 HydrophobicContact CG2-CE2 4.06Å; V368-F524 HydrophobicContact CG2-CZ 4.18Å; D522-F524 PolarHBondContact O-N 3.35Å
525T67.4Low76.2Confident39 Ų3970.6 Ų70.624%0.23938%0.377CS..THydrogen-bonded Turntrans-102.8-0.2-168.7390000115.1K157 D522 T527 E528K157-T525 PolarHBondContact NZ-OG1 3.41Å; D522-T525 WeakPolarHBondContact CA-OG1 3.41Å; D522-T525 PolarHBondContact O-N 3.3Å; D522-T525 PolarHBondContact O-OG1 3.01Å; D522-T525 PolarHBondContact OD1-OG1 3.42Å; T525-T527 PolarHBondContact O-N 3.02Å; T525-E528 PolarHBondContact O-N 2.89Å
526A56Low74.1Confident96 Ų9671.3 Ų71.379%0.79339%0.389SS*.THydrogen-bonded Turntrans-58.6-7.6-173.300000116.5
527T48.6Very low72.1Confident137 Ų13772.9 Ų72.984%0.8440%0.397SS*.THydrogen-bonded Turntrans-115.6-6.4-179.853.80000115.4T525T525-T527 PolarHBondContact O-N 3.02Å
528E55.5Low70.9Confident91 Ų9174.5 Ų74.543%0.42541%0.407SS..SBendtrans-101.8142.7-175.8-65.9-162.6177.700113.3K196 T525 Q530K196-E528 WeakPolarHBondContact CE-OE1 3.38Å; K196-E528 IonicContact NZ-OE1 2.6Å; K196-E528 PolarHBondContact NZ-OE1 3.17Å; K196-E528 IonicContact NZ-OE2 3.67Å; K196-E528 PolarHBondContact NZ-OE2 3.24Å; T525-E528 PolarHBondContact O-N 2.89Å; E528-Q530 PolarHBondContact O-N 3.43Å
529P63.5Low70Confident81 Ų8175.6 Ų75.653%0.52641%0.409SS..  trans-61.4129174.925.2-32.3000110Y531P529-Y531 PolarHBondContact O-N 2.76Å
530Q71Confident68.8Low118 Ų11876.6 Ų76.655%0.55142%0.418SS*.SBendtrans-59.7-33.3-177.1-72.8-175.53.500112.9R156 E528R156-Q530 VanDerWaalsContact CZ-O 3.23Å; R156-Q530 VanDerWaalsContact NH1-CA 3.32Å; R156-Q530 PolarHBondContact NH1-O 2.76Å; R156-Q530 PolarHBondContact NH2-O 3.37Å; E528-Q530 PolarHBondContact O-N 3.43Å
531Y77.7Confident67.4Low42 Ų4280.9 Ų80.917%0.16544%0.441CS..SBendtrans-131.6145.2175.9-72.2-87000109.9T180 S186 H202 K204 P529T180-Y531 HydrophobicContact CG2-CE2 4.48Å; S186-Y531 WeakPolarHBondContact OG-CE1 3.49Å; S186-Y531 PolarHBondContact OG-OH 2.77Å; H202-Y531 HydrophobicContact CB-CD1 3.98Å; H202-Y531 HydrophobicContact CB-CE1 4.09Å; K204-Y531 HydrophobicContact CB-CD1 3.87Å; K204-Y531 HydrophobicContact CB-CE1 4.15Å; K204-Y531 HydrophobicContact CB-CG 4.35Å; P529-Y531 PolarHBondContact O-N 2.76Å
532Q79.3Confident66.2Low61 Ų6182.5 Ų82.529%0.28545%0.452SS..  trans-71135.7174.2-63-60.6-38.700110.1K201 H202 Y203K201-Q532 HydrophobicContact CB-CG 4.26Å; K201-Q532 HydrophobicContact CD-CG 4.47Å; K201-Q532 HydrophobicContact CG-CG 4.3Å; H202-Q532 PolarHBondContact O-N 3.06Å; Y203-Q532 HydrophobicContact CD1-CB 3.82Å; Y203-Q532 HydrophobicContact CE1-CB 3.49Å; Y203-Q532 VanDerWaalsContact CE1-CB 3.49Å; Y203-Q532 HydrophobicContact CE1-CG 4.02Å
533P70.6Confident65.1Low66 Ų6682.7 Ų82.743%0.42945%0.454SS..  trans-66136.4179.426.7-32.8000110.5E535P533-E535 PolarHBondContact O-N 3.44Å
534G60.4Low63.6Low23 Ų2385.8 Ų85.824%0.23748%0.476CS..G310 helixtrans-73.8-9.9176.400000114.2N536 L537G534-N536 VanDerWaalsContact C-N 3.33Å; G534-N536 PolarHBondContact O-N 3.27Å; G534-L537 VanDerWaalsContact O-CB 3.31Å; G534-L537 WeakPolarHBondContact O-CB 3.34Å; G534-L537 PolarHBondContact O-N 3.13Å
535E56.1Low62.6Low173 Ų17384.2 Ų84.281%0.80848%0.476SS*.G310 helixtrans-75.9-19.5-174.8-65.6-177.9169.200113.6P533 L537P533-E535 PolarHBondContact O-N 3.44Å; E535-L537 VanDerWaalsContact C-N 3.26Å
536N54Low62.2Low135 Ų13587.9 Ų87.972%0.72250%0.496SS*.G310 helixtrans-85.82.9172.9-65.4-19.7000112.7G534G534-N536 VanDerWaalsContact C-N 3.33Å; G534-N536 PolarHBondContact O-N 3.27Å
537L53.7Low62.8Low32 Ų3287.2 Ų87.217%0.16847%0.469CS..  trans-96.90-176-52.8176.3000114.4Y203 I215 T216 R218 G237 L238 G534 E535Y203-L537 HydrophobicContact CD1-CD1 4.38Å; Y203-L537 HydrophobicContact CE1-CD2 4.23Å; I215-L537 HydrophobicContact CB-CD1 4.21Å; I215-L537 HydrophobicContact CG2-CD1 3.36Å; T216-L537 HydrophobicContact CG2-CB 3.86Å; T216-L537 HydrophobicContact CG2-CD1 4.46Å; R218-L537 PolarHBondContact NH1-O 3.03Å; G237-L537 VanDerWaalsContact CA-CD2 3.48Å; G237-L537 WeakPolarHBondContact O-CD2 3.46Å; L238-L537 HydrophobicContact CD2-CD1 4.36Å; L238-L537 HydrophobicContact CD2-CD2 4.13Å; G534-L537 VanDerWaalsContact O-CB 3.31Å; G534-L537 WeakPolarHBondContact O-CB 3.34Å; G534-L537 PolarHBondContact O-N 3.13Å; E535-L537 VanDerWaalsContact C-N 3.26Å

Retrieved 537 of 537 residues in 420.9 ms (Link to these results)